NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
511081 |
2kyj   |
16963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kyj
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 808
_Distance_constraint_stats_list.Viol_count 930
_Distance_constraint_stats_list.Viol_total 538.550
_Distance_constraint_stats_list.Viol_max 0.292
_Distance_constraint_stats_list.Viol_rms 0.0109
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0290
_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 ASP 0.007 0.004 4 0 "[ . 1 . 2]"
1 2 PHE 0.228 0.029 1 0 "[ . 1 . 2]"
1 3 PRO 0.056 0.009 4 0 "[ . 1 . 2]"
1 4 LEU 0.549 0.057 10 0 "[ . 1 . 2]"
1 5 SER 0.403 0.050 4 0 "[ . 1 . 2]"
1 6 LYS 1.872 0.227 3 0 "[ . 1 . 2]"
1 7 GLU 1.636 0.227 3 0 "[ . 1 . 2]"
1 8 TYR 0.995 0.053 8 0 "[ . 1 . 2]"
1 9 GLU 0.937 0.089 17 0 "[ . 1 . 2]"
1 10 SER 0.794 0.042 19 0 "[ . 1 . 2]"
1 11 CYS 2.458 0.117 4 0 "[ . 1 . 2]"
1 12 VAL 1.988 0.127 18 0 "[ . 1 . 2]"
1 13 ARG 0.028 0.018 14 0 "[ . 1 . 2]"
1 14 PRO 0.154 0.021 1 0 "[ . 1 . 2]"
1 15 ARG 2.864 0.117 4 0 "[ . 1 . 2]"
1 16 LYS 0.262 0.125 1 0 "[ . 1 . 2]"
1 17 CYS 4.476 0.124 17 0 "[ . 1 . 2]"
1 18 LYS 0.780 0.057 10 0 "[ . 1 . 2]"
1 19 PRO 0.102 0.022 10 0 "[ . 1 . 2]"
1 20 PRO 0.485 0.033 18 0 "[ . 1 . 2]"
1 21 LEU 5.936 0.124 17 0 "[ . 1 . 2]"
1 22 LYS 2.119 0.047 17 0 "[ . 1 . 2]"
1 23 CYS 0.194 0.046 19 0 "[ . 1 . 2]"
1 24 ASN 5.522 0.197 19 0 "[ . 1 . 2]"
1 25 LYS 1.949 0.115 19 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 2.898 0.115 19 0 "[ . 1 . 2]"
1 28 ILE 3.228 0.122 14 0 "[ . 1 . 2]"
1 29 CYS 1.466 0.040 15 0 "[ . 1 . 2]"
1 30 VAL 4.284 0.197 19 0 "[ . 1 . 2]"
1 31 ASP 0.544 0.195 17 0 "[ . 1 . 2]"
1 32 PRO 1.605 0.043 18 0 "[ . 1 . 2]"
1 33 ASN 0.019 0.018 2 0 "[ . 1 . 2]"
1 34 LYS 0.395 0.125 2 0 "[ . 1 . 2]"
1 35 GLY 0.253 0.125 2 0 "[ . 1 . 2]"
1 36 TRP 0.436 0.292 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 CYS HA 1 24 ASN H . . 2.990 2.224 2.195 2.262 . 0 0 "[ . 1 . 2]" 1
2 1 18 LYS H 1 18 LYS HB3 . . 3.220 2.432 2.209 2.545 . 0 0 "[ . 1 . 2]" 1
3 1 18 LYS H 1 18 LYS HB2 . . 3.250 2.626 2.507 2.897 . 0 0 "[ . 1 . 2]" 1
4 1 16 LYS HB2 1 17 CYS H . . 4.170 3.896 3.684 4.134 . 0 0 "[ . 1 . 2]" 1
5 1 22 LYS H 1 22 LYS HB2 . . 3.340 2.648 2.554 2.697 . 0 0 "[ . 1 . 2]" 1
6 1 17 CYS H 1 17 CYS HB3 . . 3.760 3.702 3.672 3.726 . 0 0 "[ . 1 . 2]" 1
7 1 17 CYS H 1 17 CYS HB2 . . 3.250 2.511 2.463 2.551 . 0 0 "[ . 1 . 2]" 1
8 1 24 ASN H 1 24 ASN HB2 . . 4.050 3.828 3.799 3.865 . 0 0 "[ . 1 . 2]" 1
9 1 24 ASN H 1 24 ASN HB3 . . 3.300 2.969 2.917 3.023 . 0 0 "[ . 1 . 2]" 1
10 1 16 LYS H 1 16 LYS HB3 . . 3.850 3.711 3.084 3.863 0.013 16 0 "[ . 1 . 2]" 1
11 1 16 LYS H 1 16 LYS HB2 . . 3.390 2.750 2.695 2.924 . 0 0 "[ . 1 . 2]" 1
12 1 15 ARG H 1 15 ARG HB2 . . 3.360 2.710 2.688 2.723 . 0 0 "[ . 1 . 2]" 1
13 1 15 ARG H 1 15 ARG HG3 . . 3.540 1.933 1.918 1.954 . 0 0 "[ . 1 . 2]" 1
14 1 2 PHE H 1 2 PHE HB2 . . 3.670 2.304 2.246 2.459 . 0 0 "[ . 1 . 2]" 1
15 1 23 CYS H 1 23 CYS HB2 . . 3.110 2.463 2.425 2.486 . 0 0 "[ . 1 . 2]" 1
16 1 31 ASP H 1 31 ASP HB2 . . 3.630 2.392 2.072 2.752 . 0 0 "[ . 1 . 2]" 1
17 1 31 ASP H 1 31 ASP HB3 . . 3.630 3.492 3.260 3.595 . 0 0 "[ . 1 . 2]" 1
18 1 4 LEU H 1 4 LEU MD1 . . 3.910 3.383 3.188 3.588 . 0 0 "[ . 1 . 2]" 1
19 1 21 LEU H 1 21 LEU HB2 . . 3.340 2.832 2.813 2.855 . 0 0 "[ . 1 . 2]" 1
20 1 21 LEU H 1 21 LEU HB3 . . 3.700 3.560 3.556 3.564 . 0 0 "[ . 1 . 2]" 1
21 1 25 LYS H 1 26 ALA MB . . 5.170 4.335 4.328 4.345 . 0 0 "[ . 1 . 2]" 1
22 1 27 GLN H 1 27 GLN HG3 . . 4.160 3.974 3.924 4.106 . 0 0 "[ . 1 . 2]" 1
23 1 27 GLN H 1 27 GLN HG2 . . 3.570 2.962 2.931 3.078 . 0 0 "[ . 1 . 2]" 1
24 1 27 GLN H 1 27 GLN HB3 . . 3.670 3.066 2.997 3.093 . 0 0 "[ . 1 . 2]" 1
25 1 29 CYS H 1 29 CYS HB2 . . 3.350 2.691 2.672 2.710 . 0 0 "[ . 1 . 2]" 1
26 1 29 CYS H 1 29 CYS HB3 . . 3.810 3.650 3.648 3.651 . 0 0 "[ . 1 . 2]" 1
27 1 34 LYS H 1 34 LYS HB2 . . 3.470 2.633 2.065 3.550 0.080 19 0 "[ . 1 . 2]" 1
28 1 34 LYS H 1 34 LYS HB3 . . 3.470 2.591 2.222 3.290 . 0 0 "[ . 1 . 2]" 1
29 1 34 LYS H 1 34 LYS HG3 . . 4.620 4.318 3.546 4.581 . 0 0 "[ . 1 . 2]" 1
30 1 28 ILE H 1 28 ILE HG13 . . 3.560 2.704 2.571 2.796 . 0 0 "[ . 1 . 2]" 1
31 1 28 ILE H 1 28 ILE HG12 . . 3.410 2.543 2.438 2.705 . 0 0 "[ . 1 . 2]" 1
32 1 36 TRP H 1 36 TRP HB2 . . 3.740 3.604 3.121 3.740 0.000 13 0 "[ . 1 . 2]" 1
33 1 36 TRP H 1 36 TRP HB3 . . 3.740 2.696 2.373 4.032 0.292 18 0 "[ . 1 . 2]" 1
34 1 26 ALA H 1 26 ALA MB . . 2.840 2.145 2.121 2.164 . 0 0 "[ . 1 . 2]" 1
35 1 13 ARG HE 1 13 ARG HG2 . . 4.080 3.132 2.201 4.002 . 0 0 "[ . 1 . 2]" 1
36 1 13 ARG HE 1 13 ARG HG3 . . 4.080 3.189 2.328 4.005 . 0 0 "[ . 1 . 2]" 1
37 1 17 CYS HA 1 18 LYS H . . 3.050 2.143 2.138 2.147 . 0 0 "[ . 1 . 2]" 1
38 1 18 LYS H 1 19 PRO HD2 . . 4.950 4.770 4.767 4.773 . 0 0 "[ . 1 . 2]" 1
39 1 18 LYS H 1 19 PRO HD3 . . 4.940 4.874 4.844 4.892 . 0 0 "[ . 1 . 2]" 1
40 1 22 LYS HA 1 30 VAL H . . 5.130 4.614 4.536 4.663 . 0 0 "[ . 1 . 2]" 1
41 1 29 CYS HA 1 30 VAL H . . 3.200 2.139 2.138 2.140 . 0 0 "[ . 1 . 2]" 1
42 1 21 LEU HA 1 30 VAL H . . 4.560 4.085 4.054 4.141 . 0 0 "[ . 1 . 2]" 1
43 1 21 LEU HB3 1 30 VAL H . . 4.320 3.159 3.107 3.230 . 0 0 "[ . 1 . 2]" 1
44 1 22 LYS HB2 1 30 VAL H . . 4.530 4.491 4.341 4.535 0.005 1 0 "[ . 1 . 2]" 1
45 1 22 LYS HB3 1 30 VAL H . . 5.500 5.429 5.209 5.518 0.018 16 0 "[ . 1 . 2]" 1
46 1 21 LEU HB2 1 30 VAL H . . 4.770 4.570 4.517 4.624 . 0 0 "[ . 1 . 2]" 1
47 1 30 VAL H 1 30 VAL HB . . 4.140 3.829 3.463 3.898 . 0 0 "[ . 1 . 2]" 1
48 1 29 CYS HB3 1 30 VAL H . . 3.880 3.510 3.504 3.519 . 0 0 "[ . 1 . 2]" 1
49 1 24 ASN HB3 1 30 VAL H . . 5.500 5.651 5.611 5.697 0.197 19 0 "[ . 1 . 2]" 1
50 1 29 CYS HB2 1 30 VAL H . . 4.150 4.154 4.143 4.167 0.017 7 0 "[ . 1 . 2]" 1
51 1 8 TYR H 1 30 VAL HA . . 5.470 3.809 3.618 4.003 . 0 0 "[ . 1 . 2]" 1
52 1 7 GLU HG2 1 8 TYR H . . 4.510 4.412 4.255 4.535 0.025 3 0 "[ . 1 . 2]" 1
53 1 7 GLU HG3 1 8 TYR H . . 4.590 4.406 4.154 4.600 0.010 18 0 "[ . 1 . 2]" 1
54 1 4 LEU HA 1 5 SER H . . 3.340 2.290 2.140 2.429 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER H 1 17 CYS HA . . 3.480 2.419 2.238 2.888 . 0 0 "[ . 1 . 2]" 1
56 1 4 LEU HG 1 5 SER H . . 5.190 4.895 4.650 5.158 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER H 1 16 LYS HB3 . . 5.500 4.914 4.464 5.334 . 0 0 "[ . 1 . 2]" 1
58 1 4 LEU HB2 1 5 SER H . . 4.230 3.802 3.484 4.231 0.001 1 0 "[ . 1 . 2]" 1
59 1 4 LEU HB3 1 5 SER H . . 3.910 2.752 2.377 3.415 . 0 0 "[ . 1 . 2]" 1
60 1 17 CYS HB3 1 18 LYS H . . 3.800 3.610 3.549 3.658 . 0 0 "[ . 1 . 2]" 1
61 1 18 LYS H 1 21 LEU HB2 . . 4.520 4.532 4.513 4.546 0.026 8 0 "[ . 1 . 2]" 1
62 1 4 LEU HB3 1 18 LYS H . . 3.880 2.290 2.078 2.476 . 0 0 "[ . 1 . 2]" 1
63 1 4 LEU MD2 1 18 LYS H . . 4.750 2.955 2.561 3.358 . 0 0 "[ . 1 . 2]" 1
64 1 22 LYS H 1 31 ASP HA . . 4.200 3.253 3.095 3.447 . 0 0 "[ . 1 . 2]" 1
65 1 11 CYS HB2 1 17 CYS H . . 4.980 4.939 4.640 5.023 0.043 17 0 "[ . 1 . 2]" 1
66 1 22 LYS H 1 29 CYS HA . . 5.040 4.238 4.186 4.267 . 0 0 "[ . 1 . 2]" 1
67 1 17 CYS H 1 18 LYS HA . . 5.500 4.964 4.917 5.040 . 0 0 "[ . 1 . 2]" 1
68 1 22 LYS H 1 32 PRO HA . . 5.500 4.909 4.530 5.197 . 0 0 "[ . 1 . 2]" 1
69 1 21 LEU HB3 1 22 LYS H . . 3.460 3.012 2.963 3.037 . 0 0 "[ . 1 . 2]" 1
70 1 16 LYS HB3 1 17 CYS H . . 3.440 2.582 2.338 3.198 . 0 0 "[ . 1 . 2]" 1
71 1 16 LYS HG3 1 17 CYS H . . 5.180 4.494 2.503 4.980 . 0 0 "[ . 1 . 2]" 1
72 1 21 LEU HG 1 22 LYS H . . 5.500 5.217 5.189 5.237 . 0 0 "[ . 1 . 2]" 1
73 1 21 LEU HB2 1 22 LYS H . . 3.840 3.846 3.810 3.866 0.026 4 0 "[ . 1 . 2]" 1
74 1 22 LYS H 1 32 PRO HG3 . . 5.500 5.498 5.397 5.519 0.019 4 0 "[ . 1 . 2]" 1
75 1 22 LYS H 1 30 VAL HB . . 5.500 5.197 5.130 5.524 0.024 17 0 "[ . 1 . 2]" 1
76 1 22 LYS H 1 32 PRO HB3 . . 5.500 5.067 4.800 5.176 . 0 0 "[ . 1 . 2]" 1
77 1 21 LEU MD1 1 22 LYS H . . 4.890 4.873 4.845 4.893 0.003 4 0 "[ . 1 . 2]" 1
78 1 21 LEU HA 1 22 LYS H . . 2.930 2.205 2.199 2.217 . 0 0 "[ . 1 . 2]" 1
79 1 22 LYS H 1 32 PRO HD2 . . 4.960 4.871 4.792 4.963 0.003 17 0 "[ . 1 . 2]" 1
80 1 22 LYS H 1 32 PRO HD3 . . 3.800 3.473 3.380 3.547 . 0 0 "[ . 1 . 2]" 1
81 1 24 ASN H 1 29 CYS HA . . 5.150 5.063 5.015 5.182 0.032 20 0 "[ . 1 . 2]" 1
82 1 24 ASN H 1 27 GLN HA . . 4.370 3.660 3.476 3.761 . 0 0 "[ . 1 . 2]" 1
83 1 23 CYS HB3 1 24 ASN H . . 4.390 2.936 2.805 3.047 . 0 0 "[ . 1 . 2]" 1
84 1 23 CYS HB2 1 24 ASN H . . 4.290 4.013 3.929 4.076 . 0 0 "[ . 1 . 2]" 1
85 1 15 ARG HG2 1 16 LYS H . . 4.800 4.270 4.230 4.293 . 0 0 "[ . 1 . 2]" 1
86 1 24 ASN H 1 28 ILE HG13 . . 4.960 3.843 3.707 3.935 . 0 0 "[ . 1 . 2]" 1
87 1 15 ARG HB2 1 16 LYS H . . 4.010 3.660 3.561 3.773 . 0 0 "[ . 1 . 2]" 1
88 1 16 LYS H 1 16 LYS HG2 . . 4.870 4.130 3.514 4.890 0.020 1 0 "[ . 1 . 2]" 1
89 1 4 LEU HA 1 16 LYS H . . 3.840 3.567 3.322 3.852 0.012 10 0 "[ . 1 . 2]" 1
90 1 15 ARG HA 1 16 LYS H . . 2.970 2.335 2.287 2.372 . 0 0 "[ . 1 . 2]" 1
91 1 14 PRO HA 1 15 ARG H . . 3.520 3.373 3.365 3.377 . 0 0 "[ . 1 . 2]" 1
92 1 15 ARG H 1 15 ARG HG2 . . 3.360 2.991 2.893 3.113 . 0 0 "[ . 1 . 2]" 1
93 1 14 PRO HG3 1 15 ARG H . . 5.050 4.426 4.413 4.445 . 0 0 "[ . 1 . 2]" 1
94 1 15 ARG H 1 15 ARG HD2 . . 4.600 3.999 3.896 4.079 . 0 0 "[ . 1 . 2]" 1
95 1 15 ARG H 1 15 ARG HD3 . . 4.770 4.512 4.454 4.554 . 0 0 "[ . 1 . 2]" 1
96 1 14 PRO HD3 1 15 ARG H . . 4.510 3.960 3.954 3.968 . 0 0 "[ . 1 . 2]" 1
97 1 2 PHE H 1 3 PRO HD3 . . 5.220 5.081 5.040 5.094 . 0 0 "[ . 1 . 2]" 1
98 1 2 PHE H 1 3 PRO HD2 . . 5.220 4.764 4.727 4.786 . 0 0 "[ . 1 . 2]" 1
99 1 22 LYS HA 1 23 CYS H . . 2.840 2.329 2.289 2.428 . 0 0 "[ . 1 . 2]" 1
100 1 31 ASP H 1 32 PRO HD2 . . 4.890 4.760 4.756 4.786 . 0 0 "[ . 1 . 2]" 1
101 1 31 ASP H 1 32 PRO HD3 . . 5.080 4.957 4.944 4.966 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLU HA 1 31 ASP H . . 5.500 5.409 5.225 5.553 0.053 17 0 "[ . 1 . 2]" 1
103 1 22 LYS HB3 1 23 CYS H . . 3.480 2.617 2.371 2.730 . 0 0 "[ . 1 . 2]" 1
104 1 22 LYS HG3 1 23 CYS H . . 5.070 5.007 4.843 5.088 0.018 2 0 "[ . 1 . 2]" 1
105 1 4 LEU H 1 18 LYS HB2 . . 5.350 5.105 4.978 5.303 . 0 0 "[ . 1 . 2]" 1
106 1 4 LEU H 1 4 LEU HG . . 3.030 2.256 2.037 2.641 . 0 0 "[ . 1 . 2]" 1
107 1 19 PRO HA 1 21 LEU H . . 3.030 2.446 2.438 2.454 . 0 0 "[ . 1 . 2]" 1
108 1 21 LEU H 1 32 PRO HD3 . . 5.500 4.371 4.074 4.532 . 0 0 "[ . 1 . 2]" 1
109 1 20 PRO HD2 1 21 LEU H . . 4.180 2.846 2.843 2.850 . 0 0 "[ . 1 . 2]" 1
110 1 19 PRO HB2 1 21 LEU H . . 4.970 4.315 4.306 4.322 . 0 0 "[ . 1 . 2]" 1
111 1 20 PRO HB3 1 21 LEU H . . 4.500 4.413 4.410 4.416 . 0 0 "[ . 1 . 2]" 1
112 1 19 PRO HB3 1 21 LEU H . . 4.970 4.593 4.584 4.600 . 0 0 "[ . 1 . 2]" 1
113 1 20 PRO HG3 1 21 LEU H . . 4.570 4.394 4.389 4.400 . 0 0 "[ . 1 . 2]" 1
114 1 21 LEU H 1 21 LEU MD1 . . 3.700 3.561 3.537 3.581 . 0 0 "[ . 1 . 2]" 1
115 1 21 LEU H 1 21 LEU MD2 . . 3.700 2.601 2.493 2.722 . 0 0 "[ . 1 . 2]" 1
116 1 11 CYS H 1 28 ILE HA . . 3.660 3.126 2.970 3.180 . 0 0 "[ . 1 . 2]" 1
117 1 10 SER HB2 1 11 CYS H . . 4.470 3.883 3.021 4.282 . 0 0 "[ . 1 . 2]" 1
118 1 11 CYS H 1 27 GLN HA . . 4.820 4.283 4.180 4.439 . 0 0 "[ . 1 . 2]" 1
119 1 11 CYS H 1 12 VAL HA . . 4.720 4.295 4.234 4.437 . 0 0 "[ . 1 . 2]" 1
120 1 10 SER HB3 1 11 CYS H . . 4.470 3.213 2.888 4.023 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS H 1 27 GLN HG3 . . 4.440 3.962 3.609 4.162 . 0 0 "[ . 1 . 2]" 1
122 1 11 CYS H 1 27 GLN HB2 . . 4.060 2.935 2.864 3.155 . 0 0 "[ . 1 . 2]" 1
123 1 11 CYS H 1 12 VAL HB . . 4.860 4.470 4.279 4.559 . 0 0 "[ . 1 . 2]" 1
124 1 11 CYS H 1 28 ILE HB . . 5.490 5.427 5.245 5.481 . 0 0 "[ . 1 . 2]" 1
125 1 11 CYS H 1 28 ILE MG . . 3.880 3.518 3.413 3.600 . 0 0 "[ . 1 . 2]" 1
126 1 32 PRO HA 1 33 ASN H . . 3.570 3.504 3.414 3.570 . 19 0 "[ . 1 . 2]" 1
127 1 32 PRO HD2 1 33 ASN H . . 3.750 2.691 2.647 2.790 . 0 0 "[ . 1 . 2]" 1
128 1 32 PRO HD3 1 33 ASN H . . 4.200 3.860 3.837 3.919 . 0 0 "[ . 1 . 2]" 1
129 1 32 PRO HB3 1 33 ASN H . . 4.440 4.168 3.910 4.374 . 0 0 "[ . 1 . 2]" 1
130 1 32 PRO HB2 1 33 ASN H . . 3.950 3.381 2.935 3.734 . 0 0 "[ . 1 . 2]" 1
131 1 5 SER HA 1 6 LYS H . . 2.860 2.451 2.332 2.639 . 0 0 "[ . 1 . 2]" 1
132 1 24 ASN HA 1 25 LYS H . . 3.280 2.735 2.728 2.740 . 0 0 "[ . 1 . 2]" 1
133 1 24 ASN HB2 1 25 LYS H . . 3.060 2.023 2.010 2.058 . 0 0 "[ . 1 . 2]" 1
134 1 6 LYS H 1 9 GLU HG2 . . 4.210 2.667 2.393 2.791 . 0 0 "[ . 1 . 2]" 1
135 1 10 SER H 1 28 ILE HA . . 5.500 4.829 4.801 4.882 . 0 0 "[ . 1 . 2]" 1
136 1 9 GLU HA 1 10 SER H . . 2.970 2.362 2.310 2.699 . 0 0 "[ . 1 . 2]" 1
137 1 10 SER H 1 10 SER HB2 . . 3.600 2.644 2.085 3.594 . 0 0 "[ . 1 . 2]" 1
138 1 10 SER H 1 15 ARG HD3 . . 5.500 5.291 4.692 5.512 0.012 17 0 "[ . 1 . 2]" 1
139 1 9 GLU HG3 1 10 SER H . . 3.350 2.187 2.096 2.362 . 0 0 "[ . 1 . 2]" 1
140 1 25 LYS HA 1 27 GLN H . . 3.870 3.361 3.344 3.373 . 0 0 "[ . 1 . 2]" 1
141 1 24 ASN HA 1 27 GLN H . . 5.010 4.799 4.767 4.832 . 0 0 "[ . 1 . 2]" 1
142 1 27 GLN H 1 28 ILE HG12 . . 4.720 4.158 4.097 4.289 . 0 0 "[ . 1 . 2]" 1
143 1 33 ASN HA 1 35 GLY H . . 5.040 4.009 3.568 4.483 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLU H 1 7 GLU HG3 . . 4.340 3.888 3.637 3.999 . 0 0 "[ . 1 . 2]" 1
145 1 7 GLU H 1 21 LEU MD1 . . 4.430 2.782 2.613 3.101 . 0 0 "[ . 1 . 2]" 1
146 1 28 ILE HA 1 29 CYS H . . 3.110 2.474 2.446 2.499 . 0 0 "[ . 1 . 2]" 1
147 1 10 SER HA 1 29 CYS H . . 5.080 4.720 4.388 4.886 . 0 0 "[ . 1 . 2]" 1
148 1 8 TYR HA 1 29 CYS H . . 4.320 3.270 3.165 3.428 . 0 0 "[ . 1 . 2]" 1
149 1 8 TYR HB3 1 9 GLU H . . 4.940 4.433 4.410 4.487 . 0 0 "[ . 1 . 2]" 1
150 1 7 GLU HA 1 9 GLU H . . 4.070 4.012 3.728 4.106 0.036 1 0 "[ . 1 . 2]" 1
151 1 11 CYS HB2 1 29 CYS H . . 4.460 4.015 3.903 4.078 . 0 0 "[ . 1 . 2]" 1
152 1 28 ILE HB 1 29 CYS H . . 3.400 2.215 2.160 2.276 . 0 0 "[ . 1 . 2]" 1
153 1 28 ILE HG13 1 29 CYS H . . 4.720 3.705 3.664 3.747 . 0 0 "[ . 1 . 2]" 1
154 1 28 ILE HG12 1 29 CYS H . . 5.030 4.714 4.677 4.761 . 0 0 "[ . 1 . 2]" 1
155 1 28 ILE MG 1 29 CYS H . . 3.650 3.530 3.499 3.569 . 0 0 "[ . 1 . 2]" 1
156 1 9 GLU H 1 28 ILE MG . . 5.500 4.232 4.048 4.609 . 0 0 "[ . 1 . 2]" 1
157 1 9 GLU H 1 28 ILE MD . . 5.500 4.717 4.537 5.038 . 0 0 "[ . 1 . 2]" 1
158 1 33 ASN HA 1 34 LYS H . . 3.460 3.097 2.741 3.478 0.018 2 0 "[ . 1 . 2]" 1
159 1 32 PRO HD2 1 34 LYS H . . 5.250 4.701 4.082 5.124 . 0 0 "[ . 1 . 2]" 1
160 1 10 SER HA 1 28 ILE H . . 5.500 5.511 5.487 5.526 0.026 19 0 "[ . 1 . 2]" 1
161 1 26 ALA HA 1 28 ILE H . . 5.220 4.864 4.830 4.923 . 0 0 "[ . 1 . 2]" 1
162 1 27 GLN HA 1 28 ILE H . . 3.190 2.663 2.634 2.676 . 0 0 "[ . 1 . 2]" 1
163 1 26 ALA MB 1 28 ILE H . . 3.850 3.458 3.435 3.518 . 0 0 "[ . 1 . 2]" 1
164 1 27 GLN HB2 1 28 ILE H . . 4.600 4.369 4.364 4.381 . 0 0 "[ . 1 . 2]" 1
165 1 27 GLN HB3 1 28 ILE H . . 4.880 4.654 4.652 4.656 . 0 0 "[ . 1 . 2]" 1
166 1 27 GLN HG2 1 28 ILE H . . 4.970 4.705 4.683 4.726 . 0 0 "[ . 1 . 2]" 1
167 1 27 GLN HG3 1 28 ILE H . . 4.800 4.520 4.511 4.539 . 0 0 "[ . 1 . 2]" 1
168 1 34 LYS HA 1 36 TRP H . . 5.340 5.070 4.649 5.357 0.017 2 0 "[ . 1 . 2]" 1
169 1 36 TRP HB3 1 36 TRP HE3 . . 4.180 3.984 2.400 4.146 . 0 0 "[ . 1 . 2]" 1
170 1 36 TRP HB2 1 36 TRP HE3 . . 4.180 2.582 2.430 3.786 . 0 0 "[ . 1 . 2]" 1
171 1 36 TRP HA 1 36 TRP HE3 . . 4.420 4.326 4.232 4.421 0.001 18 0 "[ . 1 . 2]" 1
172 1 24 ASN HA 1 36 TRP HE3 . . 5.500 4.820 3.957 5.515 0.015 19 0 "[ . 1 . 2]" 1
173 1 12 VAL HA 1 27 GLN HE21 . . 5.140 4.706 4.534 4.828 . 0 0 "[ . 1 . 2]" 1
174 1 11 CYS HA 1 12 VAL H . . 3.530 3.299 3.249 3.426 . 0 0 "[ . 1 . 2]" 1
175 1 11 CYS HB2 1 12 VAL H . . 4.940 4.268 4.153 4.309 . 0 0 "[ . 1 . 2]" 1
176 1 11 CYS HB3 1 12 VAL H . . 3.830 3.455 3.111 3.579 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL H 1 15 ARG HD2 . . 4.550 3.880 3.684 4.217 . 0 0 "[ . 1 . 2]" 1
178 1 27 GLN HB2 1 27 GLN HE21 . . 4.630 3.425 3.224 3.539 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL MG1 1 27 GLN HE21 . . 5.490 4.701 4.552 4.956 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL MG2 1 27 GLN HE21 . . 5.490 3.699 3.395 4.447 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL H 1 15 ARG HB2 . . 4.060 3.680 3.547 3.776 . 0 0 "[ . 1 . 2]" 1
182 1 12 VAL H 1 12 VAL HB . . 2.910 2.698 2.647 2.718 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL H 1 27 GLN HB2 . . 4.150 2.845 2.314 3.072 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL H 1 27 GLN HG3 . . 4.710 4.409 3.801 4.593 . 0 0 "[ . 1 . 2]" 1
185 1 24 ASN HA 1 26 ALA H . . 4.650 4.288 4.268 4.363 . 0 0 "[ . 1 . 2]" 1
186 1 24 ASN HA 1 24 ASN HD21 . . 4.260 3.894 3.871 3.935 . 0 0 "[ . 1 . 2]" 1
187 1 24 ASN HB3 1 24 ASN HD21 . . 3.470 2.421 2.398 2.437 . 0 0 "[ . 1 . 2]" 1
188 1 24 ASN HD21 1 30 VAL HB . . 5.500 4.899 4.149 5.038 . 0 0 "[ . 1 . 2]" 1
189 1 24 ASN HD21 1 28 ILE HG13 . . 4.570 2.604 2.515 2.668 . 0 0 "[ . 1 . 2]" 1
190 1 24 ASN HD21 1 28 ILE HG12 . . 4.680 3.369 3.252 3.483 . 0 0 "[ . 1 . 2]" 1
191 1 26 ALA H 1 27 GLN HG2 . . 5.200 4.872 4.840 4.977 . 0 0 "[ . 1 . 2]" 1
192 1 2 PHE QE 1 15 ARG HG2 . . 5.130 4.507 4.223 5.021 . 0 0 "[ . 1 . 2]" 1
193 1 2 PHE QE 1 14 PRO HG3 . . 4.100 3.995 2.981 4.113 0.013 4 0 "[ . 1 . 2]" 1
194 1 2 PHE QE 1 14 PRO HG2 . . 4.100 3.478 3.045 3.602 . 0 0 "[ . 1 . 2]" 1
195 1 2 PHE QE 1 14 PRO HD2 . . 4.150 3.315 2.763 3.837 . 0 0 "[ . 1 . 2]" 1
196 1 2 PHE QE 1 14 PRO HD3 . . 5.050 4.532 4.144 4.911 . 0 0 "[ . 1 . 2]" 1
197 1 2 PHE QD 1 15 ARG HG2 . . 4.320 2.998 2.620 3.970 . 0 0 "[ . 1 . 2]" 1
198 1 2 PHE QD 1 15 ARG HG3 . . 4.710 3.291 2.557 4.716 0.006 1 0 "[ . 1 . 2]" 1
199 1 2 PHE QD 1 14 PRO HG3 . . 3.860 3.446 2.911 3.575 . 0 0 "[ . 1 . 2]" 1
200 1 2 PHE QD 1 14 PRO HG2 . . 3.860 2.004 1.990 2.052 . 0 0 "[ . 1 . 2]" 1
201 1 2 PHE QD 1 14 PRO HD2 . . 4.420 2.965 2.335 3.977 . 0 0 "[ . 1 . 2]" 1
202 1 2 PHE QD 1 14 PRO HD3 . . 4.810 4.330 3.915 4.780 . 0 0 "[ . 1 . 2]" 1
203 1 2 PHE QD 1 3 PRO HD2 . . 4.120 2.044 1.996 2.276 . 0 0 "[ . 1 . 2]" 1
204 1 1 ASP HA 1 2 PHE QD . . 4.720 4.550 3.538 4.724 0.004 4 0 "[ . 1 . 2]" 1
205 1 2 PHE QD 1 15 ARG HA . . 4.610 3.746 3.506 4.381 . 0 0 "[ . 1 . 2]" 1
206 1 2 PHE QD 1 14 PRO HA . . 5.500 5.362 5.028 5.521 0.021 1 0 "[ . 1 . 2]" 1
207 1 13 ARG HE 1 14 PRO HA . . 5.500 4.242 2.044 5.452 . 0 0 "[ . 1 . 2]" 1
208 1 2 PHE HA 1 2 PHE QD . . 4.340 2.264 2.098 3.043 . 0 0 "[ . 1 . 2]" 1
209 1 24 ASN HA 1 36 TRP HH2 . . 5.110 3.769 2.746 4.441 . 0 0 "[ . 1 . 2]" 1
210 1 36 TRP HA 1 36 TRP HD1 . . 4.450 4.307 2.894 4.448 . 0 0 "[ . 1 . 2]" 1
211 1 32 PRO HA 1 36 TRP HD1 . . 4.690 3.887 2.221 4.683 . 0 0 "[ . 1 . 2]" 1
212 1 35 GLY HA2 1 36 TRP HD1 . . 5.500 4.996 4.722 5.381 . 0 0 "[ . 1 . 2]" 1
213 1 35 GLY HA3 1 36 TRP HD1 . . 5.500 5.204 4.813 5.526 0.026 2 0 "[ . 1 . 2]" 1
214 1 30 VAL HB 1 36 TRP HD1 . . 5.220 3.507 2.561 5.181 . 0 0 "[ . 1 . 2]" 1
215 1 34 LYS HB2 1 36 TRP HD1 . . 5.020 3.699 2.643 4.983 . 0 0 "[ . 1 . 2]" 1
216 1 34 LYS HB3 1 36 TRP HD1 . . 5.020 2.427 2.007 4.177 . 0 0 "[ . 1 . 2]" 1
217 1 22 LYS HB3 1 36 TRP HH2 . . 4.400 4.100 3.492 4.407 0.007 19 0 "[ . 1 . 2]" 1
218 1 24 ASN HB3 1 36 TRP HZ3 . . 5.090 3.419 2.715 3.999 . 0 0 "[ . 1 . 2]" 1
219 1 24 ASN HA 1 36 TRP HZ3 . . 5.030 3.453 2.609 4.282 . 0 0 "[ . 1 . 2]" 1
220 1 8 TYR QD 1 30 VAL HA . . 4.770 3.792 3.509 4.043 . 0 0 "[ . 1 . 2]" 1
221 1 8 TYR HA 1 8 TYR QD . . 2.960 2.221 2.129 2.366 . 0 0 "[ . 1 . 2]" 1
222 1 7 GLU HB2 1 8 TYR QD . . 3.980 3.762 3.450 3.869 . 0 0 "[ . 1 . 2]" 1
223 1 8 TYR QD 1 28 ILE HB . . 4.790 4.511 4.268 4.800 0.010 10 0 "[ . 1 . 2]" 1
224 1 8 TYR QD 1 28 ILE HG13 . . 5.500 5.198 5.033 5.506 0.006 1 0 "[ . 1 . 2]" 1
225 1 7 GLU HG3 1 8 TYR QD . . 3.910 2.759 2.380 3.101 . 0 0 "[ . 1 . 2]" 1
226 1 8 TYR QD 1 28 ILE MD . . 3.570 3.409 3.279 3.570 0.000 4 0 "[ . 1 . 2]" 1
227 1 32 PRO HG3 1 33 ASN HD22 . . 5.160 4.511 3.671 5.087 . 0 0 "[ . 1 . 2]" 1
228 1 15 ARG HA 1 15 ARG HE . . 5.200 4.952 4.533 5.224 0.024 17 0 "[ . 1 . 2]" 1
229 1 15 ARG HB3 1 15 ARG HE . . 4.050 3.953 3.669 4.028 . 0 0 "[ . 1 . 2]" 1
230 1 15 ARG HB2 1 15 ARG HE . . 4.830 4.584 4.446 4.735 . 0 0 "[ . 1 . 2]" 1
231 1 15 ARG HE 1 15 ARG HG3 . . 3.780 3.365 3.017 3.731 . 0 0 "[ . 1 . 2]" 1
232 1 15 ARG HE 1 15 ARG HG2 . . 3.810 2.482 2.135 2.855 . 0 0 "[ . 1 . 2]" 1
233 1 12 VAL MG1 1 27 GLN HE22 . . 4.280 3.905 3.683 4.312 0.032 19 0 "[ . 1 . 2]" 1
234 1 12 VAL MG2 1 27 GLN HE22 . . 4.280 3.149 2.947 3.601 . 0 0 "[ . 1 . 2]" 1
235 1 27 GLN HB2 1 27 GLN HE22 . . 4.970 4.158 4.064 4.210 . 0 0 "[ . 1 . 2]" 1
236 1 27 GLN HB3 1 27 GLN HE22 . . 4.920 3.567 3.484 3.626 . 0 0 "[ . 1 . 2]" 1
237 1 12 VAL HA 1 27 GLN HE22 . . 4.690 4.711 4.702 4.725 0.035 19 0 "[ . 1 . 2]" 1
238 1 8 TYR QE 1 30 VAL HA . . 4.090 3.485 3.235 3.704 . 0 0 "[ . 1 . 2]" 1
239 1 24 ASN HD22 1 26 ALA HA . . 5.500 4.633 4.573 4.663 . 0 0 "[ . 1 . 2]" 1
240 1 8 TYR HA 1 8 TYR QE . . 4.550 4.503 4.441 4.551 0.001 17 0 "[ . 1 . 2]" 1
241 1 8 TYR QE 1 30 VAL HB . . 4.400 4.215 3.841 4.413 0.013 19 0 "[ . 1 . 2]" 1
242 1 7 GLU HB2 1 8 TYR QE . . 4.190 3.924 3.665 4.028 . 0 0 "[ . 1 . 2]" 1
243 1 24 ASN HD22 1 26 ALA MB . . 3.460 1.916 1.908 1.921 . 0 0 "[ . 1 . 2]" 1
244 1 7 GLU HG3 1 8 TYR QE . . 3.930 3.224 2.973 3.491 . 0 0 "[ . 1 . 2]" 1
245 1 24 ASN HD22 1 28 ILE HG12 . . 3.790 2.149 2.090 2.209 . 0 0 "[ . 1 . 2]" 1
246 1 24 ASN HD22 1 28 ILE MD . . 3.300 2.605 2.565 2.629 . 0 0 "[ . 1 . 2]" 1
247 1 10 SER HA 1 28 ILE MG . . 4.210 2.828 2.734 2.949 . 0 0 "[ . 1 . 2]" 1
248 1 3 PRO HA 1 4 LEU MD1 . . 5.290 4.889 4.610 5.035 . 0 0 "[ . 1 . 2]" 1
249 1 11 CYS HA 1 15 ARG HB3 . . 4.570 3.307 3.272 3.330 . 0 0 "[ . 1 . 2]" 1
250 1 4 LEU HA 1 4 LEU HG . . 4.110 2.981 2.719 3.144 . 0 0 "[ . 1 . 2]" 1
251 1 3 PRO HA 1 4 LEU MD2 . . 5.290 4.671 4.286 5.193 . 0 0 "[ . 1 . 2]" 1
252 1 4 LEU MD2 1 18 LYS HA . . 3.460 2.338 1.931 2.820 . 0 0 "[ . 1 . 2]" 1
253 1 15 ARG HA 1 15 ARG HG3 . . 3.440 3.214 3.125 3.289 . 0 0 "[ . 1 . 2]" 1
254 1 21 LEU HA 1 21 LEU MD1 . . 3.930 3.892 3.879 3.908 . 0 0 "[ . 1 . 2]" 1
255 1 21 LEU HA 1 22 LYS HB2 . . 4.650 4.520 4.436 4.567 . 0 0 "[ . 1 . 2]" 1
256 1 4 LEU HB3 1 19 PRO HD2 . . 5.070 4.965 4.710 5.029 . 0 0 "[ . 1 . 2]" 1
257 1 13 ARG HA 1 13 ARG HG3 . . 3.390 2.998 2.737 3.175 . 0 0 "[ . 1 . 2]" 1
258 1 13 ARG HA 1 13 ARG HG2 . . 3.390 2.326 2.178 2.681 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU HA 1 21 LEU MD2 . . 3.930 2.090 2.021 2.192 . 0 0 "[ . 1 . 2]" 1
260 1 8 TYR HA 1 28 ILE MD . . 3.290 3.331 3.306 3.343 0.053 8 0 "[ . 1 . 2]" 1
261 1 21 LEU HA 1 21 LEU HG . . 3.560 3.362 3.339 3.384 . 0 0 "[ . 1 . 2]" 1
262 1 20 PRO HG2 1 21 LEU HA . . 4.270 4.115 4.110 4.121 . 0 0 "[ . 1 . 2]" 1
263 1 18 LYS HB3 1 19 PRO HD2 . . 4.220 4.008 3.976 4.116 . 0 0 "[ . 1 . 2]" 1
264 1 15 ARG HA 1 15 ARG HD3 . . 4.470 4.309 4.243 4.370 . 0 0 "[ . 1 . 2]" 1
265 1 20 PRO HB2 1 21 LEU HA . . 4.410 4.366 4.356 4.380 . 0 0 "[ . 1 . 2]" 1
266 1 10 SER HB2 1 15 ARG HD3 . . 4.720 3.336 2.422 4.567 . 0 0 "[ . 1 . 2]" 1
267 1 31 ASP HB3 1 32 PRO HD2 . . 4.180 2.430 2.092 3.009 . 0 0 "[ . 1 . 2]" 1
268 1 22 LYS HB2 1 32 PRO HD3 . . 4.230 4.147 3.941 4.262 0.032 7 0 "[ . 1 . 2]" 1
269 1 27 GLN HA 1 27 GLN HB2 . . 2.990 2.572 2.524 2.588 . 0 0 "[ . 1 . 2]" 1
270 1 27 GLN HA 1 27 GLN HG3 . . 3.930 3.820 3.812 3.825 . 0 0 "[ . 1 . 2]" 1
271 1 12 VAL HA 1 15 ARG HG3 . . 5.500 5.516 5.502 5.529 0.029 4 0 "[ . 1 . 2]" 1
272 1 12 VAL HA 1 27 GLN HB2 . . 3.150 3.181 3.152 3.204 0.054 16 0 "[ . 1 . 2]" 1
273 1 12 VAL HA 1 27 GLN HB3 . . 4.000 3.797 3.738 3.910 . 0 0 "[ . 1 . 2]" 1
274 1 12 VAL HA 1 12 VAL MG1 . . 3.050 2.439 2.256 3.177 0.127 18 0 "[ . 1 . 2]" 1
275 1 12 VAL HA 1 12 VAL MG2 . . 3.050 2.345 2.303 2.418 . 0 0 "[ . 1 . 2]" 1
276 1 4 LEU MD1 1 19 PRO HD3 . . 4.060 3.957 3.607 4.082 0.022 10 0 "[ . 1 . 2]" 1
277 1 4 LEU HB3 1 19 PRO HD3 . . 5.500 5.441 5.204 5.508 0.008 19 0 "[ . 1 . 2]" 1
278 1 20 PRO HD3 1 21 LEU HG . . 5.130 4.884 4.863 4.913 . 0 0 "[ . 1 . 2]" 1
279 1 10 SER HB3 1 15 ARG HD3 . . 4.720 3.523 2.565 4.632 . 0 0 "[ . 1 . 2]" 1
280 1 11 CYS HB3 1 12 VAL HA . . 4.760 4.366 4.298 4.399 . 0 0 "[ . 1 . 2]" 1
281 1 31 ASP HB2 1 32 PRO HD3 . . 5.310 4.782 4.627 4.874 . 0 0 "[ . 1 . 2]" 1
282 1 31 ASP HB2 1 32 PRO HD2 . . 4.180 3.779 3.533 3.953 . 0 0 "[ . 1 . 2]" 1
283 1 8 TYR HB3 1 28 ILE MD . . 4.460 4.372 4.222 4.479 0.019 1 0 "[ . 1 . 2]" 1
284 1 10 SER HA 1 28 ILE HA . . 4.840 3.076 2.917 3.154 . 0 0 "[ . 1 . 2]" 1
285 1 4 LEU HA 1 5 SER HA . . 5.150 4.386 4.358 4.433 . 0 0 "[ . 1 . 2]" 1
286 1 5 SER HA 1 17 CYS HA . . 5.500 4.811 4.701 4.963 . 0 0 "[ . 1 . 2]" 1
287 1 12 VAL HA 1 13 ARG HA . . 4.470 4.425 4.398 4.445 . 0 0 "[ . 1 . 2]" 1
288 1 13 ARG HA 1 14 PRO HA . . 2.870 2.423 2.400 2.435 . 0 0 "[ . 1 . 2]" 1
289 1 21 LEU HA 1 32 PRO HD3 . . 3.540 2.831 2.631 2.939 . 0 0 "[ . 1 . 2]" 1
290 1 21 LEU HA 1 22 LYS HA . . 4.680 4.408 4.401 4.414 . 0 0 "[ . 1 . 2]" 1
291 1 8 TYR HA 1 9 GLU HA . . 4.680 4.386 4.363 4.462 . 0 0 "[ . 1 . 2]" 1
292 1 25 LYS HA 1 26 ALA HA . . 5.150 4.697 4.692 4.709 . 0 0 "[ . 1 . 2]" 1
293 1 34 LYS HA 1 35 GLY HA3 . . 5.500 4.567 4.514 4.657 . 0 0 "[ . 1 . 2]" 1
294 1 7 GLU HA 1 21 LEU MD1 . . 3.760 2.046 1.884 2.243 . 0 0 "[ . 1 . 2]" 1
295 1 7 GLU HG3 1 8 TYR HB2 . . 4.780 3.895 3.580 4.238 . 0 0 "[ . 1 . 2]" 1
296 1 7 GLU HA 1 7 GLU HB2 . . 2.850 2.420 2.379 2.459 . 0 0 "[ . 1 . 2]" 1
297 1 20 PRO HD2 1 21 LEU HG . . 3.660 3.344 3.308 3.389 . 0 0 "[ . 1 . 2]" 1
298 1 14 PRO HD2 1 15 ARG HG2 . . 4.780 4.455 4.318 4.616 . 0 0 "[ . 1 . 2]" 1
299 1 21 LEU HA 1 31 ASP HA . . 3.710 2.248 2.177 2.372 . 0 0 "[ . 1 . 2]" 1
300 1 24 ASN HA 1 25 LYS HA . . 4.400 4.330 4.329 4.331 . 0 0 "[ . 1 . 2]" 1
301 1 31 ASP HA 1 32 PRO HD2 . . 3.030 2.323 2.266 2.341 . 0 0 "[ . 1 . 2]" 1
302 1 2 PHE HA 1 3 PRO HD2 . . 3.910 2.499 2.462 2.507 . 0 0 "[ . 1 . 2]" 1
303 1 31 ASP HA 1 32 PRO HD3 . . 3.030 2.273 2.260 2.278 . 0 0 "[ . 1 . 2]" 1
304 1 2 PHE HA 1 3 PRO HD3 . . 3.910 2.342 2.324 2.346 . 0 0 "[ . 1 . 2]" 1
305 1 6 LYS HA 1 7 GLU HA . . 5.120 4.306 4.297 4.347 . 0 0 "[ . 1 . 2]" 1
306 1 11 CYS HB2 1 28 ILE HA . . 4.240 2.767 2.703 2.853 . 0 0 "[ . 1 . 2]" 1
307 1 13 ARG HA 1 14 PRO HD2 . . 4.510 4.404 4.403 4.405 . 0 0 "[ . 1 . 2]" 1
308 1 7 GLU HA 1 29 CYS HB2 . . 3.580 2.343 2.095 2.598 . 0 0 "[ . 1 . 2]" 1
309 1 21 LEU MD1 1 29 CYS HB2 . . 4.490 2.966 2.890 3.029 . 0 0 "[ . 1 . 2]" 1
310 1 22 LYS HA 1 23 CYS HB2 . . 4.920 4.633 4.585 4.667 . 0 0 "[ . 1 . 2]" 1
311 1 11 CYS HB2 1 23 CYS HB2 . . 4.950 4.921 4.874 4.957 0.007 19 0 "[ . 1 . 2]" 1
312 1 11 CYS HB2 1 23 CYS HB3 . . 4.060 3.747 3.710 3.841 . 0 0 "[ . 1 . 2]" 1
313 1 17 CYS HB3 1 21 LEU MD2 . . 5.110 5.039 4.967 5.081 . 0 0 "[ . 1 . 2]" 1
314 1 24 ASN HB3 1 30 VAL HB . . 5.500 5.461 5.371 5.503 0.003 3 0 "[ . 1 . 2]" 1
315 1 15 ARG HB3 1 15 ARG HD2 . . 3.750 3.375 3.279 3.480 . 0 0 "[ . 1 . 2]" 1
316 1 29 CYS HB2 1 30 VAL HA . . 4.710 4.544 4.530 4.560 . 0 0 "[ . 1 . 2]" 1
317 1 17 CYS HB2 1 21 LEU HB3 . . 4.400 4.452 4.437 4.470 0.070 1 0 "[ . 1 . 2]" 1
318 1 17 CYS HB2 1 21 LEU HB2 . . 3.840 3.878 3.860 3.896 0.056 17 0 "[ . 1 . 2]" 1
319 1 27 GLN HB3 1 27 GLN HG2 . . 2.530 2.466 2.459 2.473 . 0 0 "[ . 1 . 2]" 1
320 1 7 GLU HA 1 29 CYS HB3 . . 3.340 2.915 2.782 3.132 . 0 0 "[ . 1 . 2]" 1
321 1 21 LEU HA 1 29 CYS HB3 . . 5.500 4.886 4.864 4.947 . 0 0 "[ . 1 . 2]" 1
322 1 31 ASP HB3 1 32 PRO HD3 . . 5.310 3.793 3.513 4.235 . 0 0 "[ . 1 . 2]" 1
323 1 20 PRO HB2 1 32 PRO HD2 . . 4.620 3.226 3.158 3.381 . 0 0 "[ . 1 . 2]" 1
324 1 20 PRO HB2 1 32 PRO HD3 . . 4.770 3.073 2.864 3.289 . 0 0 "[ . 1 . 2]" 1
325 1 22 LYS HG3 1 32 PRO HB3 . . 4.570 2.675 2.097 2.878 . 0 0 "[ . 1 . 2]" 1
326 1 4 LEU HB2 1 4 LEU MD2 . . 3.260 3.159 3.116 3.189 . 0 0 "[ . 1 . 2]" 1
327 1 17 CYS HB3 1 21 LEU HB2 . . 3.310 2.800 2.751 2.845 . 0 0 "[ . 1 . 2]" 1
328 1 17 CYS HB3 1 29 CYS HB3 . . 4.640 2.410 2.315 2.485 . 0 0 "[ . 1 . 2]" 1
329 1 27 GLN HA 1 27 GLN HG2 . . 3.750 3.626 3.613 3.669 . 0 0 "[ . 1 . 2]" 1
330 1 26 ALA HA 1 27 GLN HG2 . . 4.360 3.083 3.071 3.131 . 0 0 "[ . 1 . 2]" 1
331 1 5 SER HA 1 9 GLU HG2 . . 4.810 3.611 3.511 3.758 . 0 0 "[ . 1 . 2]" 1
332 1 9 GLU HA 1 9 GLU HG2 . . 3.830 3.638 3.561 3.670 . 0 0 "[ . 1 . 2]" 1
333 1 9 GLU HA 1 9 GLU HG3 . . 3.280 2.860 2.681 2.981 . 0 0 "[ . 1 . 2]" 1
334 1 5 SER HA 1 9 GLU HG3 . . 4.790 4.788 4.734 4.840 0.050 4 0 "[ . 1 . 2]" 1
335 1 20 PRO HG2 1 31 ASP HA . . 4.640 4.234 4.196 4.310 . 0 0 "[ . 1 . 2]" 1
336 1 31 ASP HA 1 32 PRO HG2 . . 5.040 4.449 4.403 4.464 . 0 0 "[ . 1 . 2]" 1
337 1 31 ASP HA 1 32 PRO HG3 . . 5.290 4.427 4.398 4.436 . 0 0 "[ . 1 . 2]" 1
338 1 21 LEU MD2 1 29 CYS HB3 . . 4.260 3.913 3.854 3.992 . 0 0 "[ . 1 . 2]" 1
339 1 21 LEU HB2 1 21 LEU MD2 . . 3.590 3.187 3.178 3.194 . 0 0 "[ . 1 . 2]" 1
340 1 7 GLU HG3 1 21 LEU MD2 . . 5.120 5.099 4.857 5.151 0.031 18 0 "[ . 1 . 2]" 1
341 1 21 LEU MD2 1 29 CYS HB2 . . 4.490 4.522 4.507 4.530 0.040 15 0 "[ . 1 . 2]" 1
342 1 7 GLU HA 1 21 LEU MD2 . . 3.760 3.278 3.038 3.492 . 0 0 "[ . 1 . 2]" 1
343 1 4 LEU HB3 1 18 LYS HA . . 3.640 3.277 3.044 3.346 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA MB 1 28 ILE HA . . 5.380 4.895 4.880 4.905 . 0 0 "[ . 1 . 2]" 1
345 1 28 ILE HA 1 28 ILE HG13 . . 4.240 3.650 3.599 3.686 . 0 0 "[ . 1 . 2]" 1
346 1 28 ILE HA 1 28 ILE HG12 . . 4.090 3.778 3.735 3.850 . 0 0 "[ . 1 . 2]" 1
347 1 28 ILE HA 1 28 ILE MG . . 3.120 2.250 2.193 2.306 . 0 0 "[ . 1 . 2]" 1
348 1 28 ILE MD 1 29 CYS HA . . 5.500 5.231 5.017 5.372 . 0 0 "[ . 1 . 2]" 1
349 1 4 LEU HA 1 4 LEU MD2 . . 3.950 2.300 2.078 2.537 . 0 0 "[ . 1 . 2]" 1
350 1 11 CYS HA 1 15 ARG HB2 . . 3.230 3.075 3.049 3.134 . 0 0 "[ . 1 . 2]" 1
351 1 16 LYS HA 1 16 LYS HG3 . . 3.970 3.201 2.143 3.708 . 0 0 "[ . 1 . 2]" 1
352 1 22 LYS HA 1 22 LYS HD3 . . 4.330 2.983 2.145 3.973 . 0 0 "[ . 1 . 2]" 1
353 1 22 LYS HA 1 22 LYS HG2 . . 3.910 2.844 2.345 3.112 . 0 0 "[ . 1 . 2]" 1
354 1 22 LYS HA 1 22 LYS HG3 . . 3.910 3.732 3.415 3.789 . 0 0 "[ . 1 . 2]" 1
355 1 7 GLU HB2 1 30 VAL HA . . 4.700 4.631 4.490 4.712 0.012 19 0 "[ . 1 . 2]" 1
356 1 21 LEU HB3 1 29 CYS HB2 . . 4.120 3.971 3.921 4.033 . 0 0 "[ . 1 . 2]" 1
357 1 17 CYS HB3 1 21 LEU MD1 . . 5.110 3.304 3.190 3.358 . 0 0 "[ . 1 . 2]" 1
358 1 17 CYS HB3 1 21 LEU HB3 . . 3.500 3.363 3.307 3.406 . 0 0 "[ . 1 . 2]" 1
359 1 17 CYS HB3 1 21 LEU HG . . 5.050 4.971 4.907 5.048 . 0 0 "[ . 1 . 2]" 1
360 1 4 LEU MD2 1 19 PRO HD3 . . 4.060 3.489 2.957 3.838 . 0 0 "[ . 1 . 2]" 1
361 1 26 ALA MB 1 28 ILE MG . . 3.540 2.511 2.430 2.594 . 0 0 "[ . 1 . 2]" 1
362 1 26 ALA MB 1 28 ILE MD . . 4.030 2.314 2.181 2.530 . 0 0 "[ . 1 . 2]" 1
363 1 4 LEU HB3 1 4 LEU MD2 . . 3.610 2.205 2.069 2.322 . 0 0 "[ . 1 . 2]" 1
364 1 4 LEU MD2 1 18 LYS HB2 . . 3.570 2.869 2.591 3.350 . 0 0 "[ . 1 . 2]" 1
365 1 4 LEU MD1 1 18 LYS HB2 . . 3.570 2.174 1.956 2.804 . 0 0 "[ . 1 . 2]" 1
366 1 26 ALA MB 1 28 ILE HG12 . . 3.100 1.879 1.861 1.897 . 0 0 "[ . 1 . 2]" 1
367 1 4 LEU HB3 1 4 LEU MD1 . . 3.610 2.581 2.492 2.663 . 0 0 "[ . 1 . 2]" 1
368 1 7 GLU HG3 1 21 LEU MD1 . . 5.120 4.807 4.515 4.997 . 0 0 "[ . 1 . 2]" 1
369 1 4 LEU MD2 1 19 PRO HD2 . . 4.000 3.579 3.066 4.002 0.002 2 0 "[ . 1 . 2]" 1
370 1 7 GLU HB2 1 8 TYR HA . . 5.500 4.853 4.767 4.932 . 0 0 "[ . 1 . 2]" 1
371 1 25 LYS HA 1 26 ALA MB . . 5.150 4.976 4.972 4.987 . 0 0 "[ . 1 . 2]" 1
372 1 26 ALA MB 1 27 GLN HA . . 5.150 4.769 4.764 4.774 . 0 0 "[ . 1 . 2]" 1
373 1 21 LEU HB3 1 32 PRO HD3 . . 5.500 5.155 4.980 5.252 . 0 0 "[ . 1 . 2]" 1
374 1 4 LEU MD1 1 18 LYS HA . . 3.460 2.857 2.517 3.224 . 0 0 "[ . 1 . 2]" 1
375 1 4 LEU HA 1 4 LEU MD1 . . 3.950 3.933 3.887 3.952 0.002 17 0 "[ . 1 . 2]" 1
376 1 4 LEU MD1 1 19 PRO HD2 . . 4.000 3.179 2.909 3.468 . 0 0 "[ . 1 . 2]" 1
377 1 18 LYS HB2 1 19 PRO HD2 . . 4.380 3.433 3.125 3.602 . 0 0 "[ . 1 . 2]" 1
378 1 15 ARG HB2 1 15 ARG HD2 . . 3.560 2.851 2.772 3.043 . 0 0 "[ . 1 . 2]" 1
379 1 15 ARG HB2 1 15 ARG HD3 . . 3.600 2.710 2.603 2.821 . 0 0 "[ . 1 . 2]" 1
380 1 14 PRO HD2 1 15 ARG HB2 . . 5.500 5.281 5.263 5.292 . 0 0 "[ . 1 . 2]" 1
381 1 7 GLU HA 1 21 LEU HB3 . . 4.780 3.965 3.850 4.097 . 0 0 "[ . 1 . 2]" 1
382 1 21 LEU HB2 1 29 CYS HB2 . . 5.070 4.888 4.824 4.963 . 0 0 "[ . 1 . 2]" 1
383 1 27 GLN HB2 1 27 GLN HG3 . . 2.550 2.417 2.411 2.422 . 0 0 "[ . 1 . 2]" 1
384 1 22 LYS HB2 1 32 PRO HB3 . . 3.900 3.904 3.638 3.943 0.043 18 0 "[ . 1 . 2]" 1
385 1 26 ALA MB 1 27 GLN HB3 . . 5.500 5.470 5.408 5.487 . 0 0 "[ . 1 . 2]" 1
386 1 26 ALA MB 1 27 GLN HG2 . . 5.240 4.086 4.048 4.105 . 0 0 "[ . 1 . 2]" 1
387 1 26 ALA MB 1 27 GLN HG3 . . 5.020 4.343 4.288 4.479 . 0 0 "[ . 1 . 2]" 1
388 1 28 ILE HB 1 28 ILE MD . . 3.030 2.246 2.150 2.311 . 0 0 "[ . 1 . 2]" 1
389 1 4 LEU HB3 1 18 LYS HB2 . . 3.510 2.005 1.987 2.061 . 0 0 "[ . 1 . 2]" 1
390 1 30 VAL H 1 31 ASP H . . 4.560 4.153 4.084 4.285 . 0 0 "[ . 1 . 2]" 1
391 1 22 LYS H 1 23 CYS H . . 5.030 4.472 4.458 4.487 . 0 0 "[ . 1 . 2]" 1
392 1 22 LYS H 1 31 ASP H . . 5.470 4.460 4.343 4.579 . 0 0 "[ . 1 . 2]" 1
393 1 23 CYS H 1 24 ASN H . . 5.310 4.544 4.516 4.565 . 0 0 "[ . 1 . 2]" 1
394 1 17 CYS H 1 18 LYS H . . 4.940 4.228 4.193 4.264 . 0 0 "[ . 1 . 2]" 1
395 1 4 LEU H 1 5 SER H . . 4.950 4.602 4.469 4.632 . 0 0 "[ . 1 . 2]" 1
396 1 5 SER H 1 6 LYS H . . 5.020 4.519 4.426 4.602 . 0 0 "[ . 1 . 2]" 1
397 1 15 ARG H 1 16 LYS H . . 5.500 4.647 4.642 4.649 . 0 0 "[ . 1 . 2]" 1
398 1 21 LEU H 1 22 LYS H . . 4.650 4.606 4.601 4.616 . 0 0 "[ . 1 . 2]" 1
399 1 24 ASN H 1 25 LYS H . . 4.680 4.337 4.329 4.346 . 0 0 "[ . 1 . 2]" 1
400 1 24 ASN H 1 27 GLN H . . 4.730 3.676 3.589 3.748 . 0 0 "[ . 1 . 2]" 1
401 1 24 ASN H 1 30 VAL H . . 5.330 5.114 5.032 5.256 . 0 0 "[ . 1 . 2]" 1
402 1 22 LYS H 1 30 VAL H . . 3.570 2.801 2.729 2.830 . 0 0 "[ . 1 . 2]" 1
403 1 5 SER H 1 18 LYS H . . 4.350 2.676 2.301 3.406 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASN H 1 24 ASN HD21 . . 4.720 1.966 1.896 2.108 . 0 0 "[ . 1 . 2]" 1
405 1 24 ASN H 1 26 ALA H . . 5.210 3.897 3.869 3.993 . 0 0 "[ . 1 . 2]" 1
406 1 24 ASN HD21 1 25 LYS H . . 4.570 4.587 4.563 4.598 0.028 16 0 "[ . 1 . 2]" 1
407 1 24 ASN H 1 28 ILE H . . 3.670 2.581 2.539 2.610 . 0 0 "[ . 1 . 2]" 1
408 1 26 ALA H 1 27 GLN H . . 3.050 2.681 2.667 2.708 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS H 1 27 GLN H . . 4.610 4.242 4.202 4.262 . 0 0 "[ . 1 . 2]" 1
410 1 11 CYS H 1 12 VAL H . . 3.300 1.896 1.860 1.942 . 0 0 "[ . 1 . 2]" 1
411 1 12 VAL H 1 13 ARG H . . 4.510 4.378 4.337 4.434 . 0 0 "[ . 1 . 2]" 1
412 1 11 CYS H 1 29 CYS H . . 5.290 5.269 5.080 5.309 0.019 15 0 "[ . 1 . 2]" 1
413 1 10 SER H 1 11 CYS H . . 4.880 4.617 4.589 4.632 . 0 0 "[ . 1 . 2]" 1
414 1 9 GLU H 1 10 SER H . . 4.610 4.423 4.370 4.489 . 0 0 "[ . 1 . 2]" 1
415 1 6 LYS H 1 7 GLU H . . 4.950 4.498 4.326 4.544 . 0 0 "[ . 1 . 2]" 1
416 1 33 ASN H 1 34 LYS H . . 3.230 2.681 2.296 3.158 . 0 0 "[ . 1 . 2]" 1
417 1 33 ASN H 1 33 ASN HD21 . . 5.040 2.773 2.058 3.410 . 0 0 "[ . 1 . 2]" 1
418 1 7 GLU H 1 8 TYR H . . 4.790 4.604 4.588 4.625 . 0 0 "[ . 1 . 2]" 1
419 1 8 TYR H 1 9 GLU H . . 3.730 2.842 2.680 2.987 . 0 0 "[ . 1 . 2]" 1
420 1 34 LYS H 1 35 GLY H . . 3.500 2.584 2.174 2.970 . 0 0 "[ . 1 . 2]" 1
421 1 35 GLY H 1 36 TRP H . . 3.620 2.094 1.896 2.434 . 0 0 "[ . 1 . 2]" 1
422 1 27 GLN H 1 28 ILE H . . 3.180 3.070 3.057 3.105 . 0 0 "[ . 1 . 2]" 1
423 1 28 ILE H 1 29 CYS H . . 4.920 4.427 4.422 4.432 . 0 0 "[ . 1 . 2]" 1
424 1 27 GLN H 1 27 GLN HE21 . . 5.350 4.312 4.284 4.347 . 0 0 "[ . 1 . 2]" 1
425 1 25 LYS H 1 26 ALA H . . 3.520 2.698 2.692 2.713 . 0 0 "[ . 1 . 2]" 1
426 1 29 CYS H 1 30 VAL H . . 4.450 4.424 4.420 4.426 . 0 0 "[ . 1 . 2]" 1
427 1 24 ASN H 1 24 ASN HD22 . . 5.150 3.264 3.215 3.382 . 0 0 "[ . 1 . 2]" 1
428 1 33 ASN H 1 33 ASN HD22 . . 5.040 3.736 3.112 4.453 . 0 0 "[ . 1 . 2]" 1
429 1 24 ASN HD22 1 28 ILE H . . 4.890 3.088 3.034 3.138 . 0 0 "[ . 1 . 2]" 1
430 1 24 ASN HD21 1 28 ILE H . . 5.300 2.982 2.924 3.027 . 0 0 "[ . 1 . 2]" 1
431 1 24 ASN HD22 1 26 ALA H . . 4.380 3.011 2.957 3.040 . 0 0 "[ . 1 . 2]" 1
432 1 26 ALA H 1 28 ILE H . . 4.260 4.077 4.054 4.165 . 0 0 "[ . 1 . 2]" 1
433 1 2 PHE H 1 2 PHE QE . . 5.500 5.312 4.881 5.452 . 0 0 "[ . 1 . 2]" 1
434 1 2 PHE QE 1 15 ARG H . . 5.500 5.053 4.604 5.529 0.029 1 0 "[ . 1 . 2]" 1
435 1 2 PHE H 1 2 PHE QD . . 3.660 3.489 2.828 3.642 . 0 0 "[ . 1 . 2]" 1
436 1 36 TRP H 1 36 TRP HD1 . . 4.370 2.327 2.041 2.822 . 0 0 "[ . 1 . 2]" 1
437 1 8 TYR QD 1 9 GLU H . . 5.070 4.577 4.486 4.795 . 0 0 "[ . 1 . 2]" 1
438 1 8 TYR QD 1 29 CYS H . . 5.500 4.858 4.673 5.123 . 0 0 "[ . 1 . 2]" 1
439 1 35 GLY H 1 36 TRP HD1 . . 5.500 2.910 2.500 3.367 . 0 0 "[ . 1 . 2]" 1
440 1 2 PHE QD 1 15 ARG HE . . 4.610 4.309 3.960 4.620 0.010 20 0 "[ . 1 . 2]" 1
441 1 24 ASN HD22 1 25 LYS H . . 4.990 4.775 4.715 4.797 . 0 0 "[ . 1 . 2]" 1
442 1 8 TYR H 1 8 TYR QD . . 3.800 2.973 2.836 3.311 . 0 0 "[ . 1 . 2]" 1
443 1 8 TYR H 1 8 TYR QE . . 4.980 4.417 4.282 4.598 . 0 0 "[ . 1 . 2]" 1
444 1 15 ARG H 1 15 ARG HE . . 5.500 5.153 4.802 5.536 0.036 15 0 "[ . 1 . 2]" 1
445 1 31 ASP H 1 36 TRP HD1 . . 5.500 5.219 4.888 5.518 0.018 2 0 "[ . 1 . 2]" 1
446 1 24 ASN HB3 1 24 ASN HD22 . . 3.570 3.556 3.547 3.563 . 0 0 "[ . 1 . 2]" 1
447 1 26 ALA H 1 27 GLN HA . . 4.930 4.738 4.724 4.767 . 0 0 "[ . 1 . 2]" 1
448 1 24 ASN HB2 1 26 ALA H . . 4.920 3.448 3.423 3.522 . 0 0 "[ . 1 . 2]" 1
449 1 24 ASN HD22 1 28 ILE HB . . 4.620 4.516 4.501 4.542 . 0 0 "[ . 1 . 2]" 1
450 1 24 ASN HD22 1 28 ILE HG13 . . 3.740 2.077 2.004 2.151 . 0 0 "[ . 1 . 2]" 1
451 1 24 ASN HD21 1 26 ALA MB . . 4.060 3.371 3.355 3.386 . 0 0 "[ . 1 . 2]" 1
452 1 24 ASN HD21 1 28 ILE HB . . 4.950 5.053 5.007 5.072 0.122 14 0 "[ . 1 . 2]" 1
453 1 28 ILE H 1 28 ILE HB . . 3.910 3.848 3.843 3.854 . 0 0 "[ . 1 . 2]" 1
454 1 27 GLN HB3 1 27 GLN HE21 . . 4.450 2.245 2.041 2.375 . 0 0 "[ . 1 . 2]" 1
455 1 10 SER H 1 10 SER HB3 . . 3.600 3.355 2.578 3.631 0.031 4 0 "[ . 1 . 2]" 1
456 1 10 SER HB3 1 12 VAL H . . 5.210 3.322 2.884 4.777 . 0 0 "[ . 1 . 2]" 1
457 1 10 SER HB2 1 12 VAL H . . 5.210 4.187 3.121 4.795 . 0 0 "[ . 1 . 2]" 1
458 1 6 LYS HA 1 18 LYS H . . 5.070 4.847 4.402 5.093 0.023 17 0 "[ . 1 . 2]" 1
459 1 16 LYS HA 1 17 CYS H . . 3.540 2.385 2.267 2.463 . 0 0 "[ . 1 . 2]" 1
460 1 34 LYS H 1 34 LYS HG2 . . 4.620 4.352 2.790 4.627 0.007 4 0 "[ . 1 . 2]" 1
461 1 21 LEU H 1 21 LEU HG . . 5.500 1.875 1.847 1.894 . 0 0 "[ . 1 . 2]" 1
462 1 15 ARG HB3 1 16 LYS H . . 3.620 2.612 2.531 2.736 . 0 0 "[ . 1 . 2]" 1
463 1 16 LYS H 1 16 LYS HG3 . . 4.870 4.241 3.626 4.629 . 0 0 "[ . 1 . 2]" 1
464 1 24 ASN H 1 26 ALA MB . . 5.240 4.265 4.236 4.363 . 0 0 "[ . 1 . 2]" 1
465 1 22 LYS H 1 29 CYS HB3 . . 4.890 4.905 4.786 4.923 0.033 18 0 "[ . 1 . 2]" 1
466 1 22 LYS HB2 1 23 CYS H . . 3.790 3.758 3.647 3.801 0.011 10 0 "[ . 1 . 2]" 1
467 1 6 LYS HG3 1 7 GLU H . . 3.620 3.014 2.431 3.711 0.091 17 0 "[ . 1 . 2]" 1
468 1 17 CYS H 1 23 CYS HB2 . . 5.500 5.368 5.177 5.546 0.046 19 0 "[ . 1 . 2]" 1
469 1 8 TYR H 1 29 CYS HB2 . . 3.750 2.010 1.933 2.273 . 0 0 "[ . 1 . 2]" 1
470 1 8 TYR H 1 29 CYS HB3 . . 4.510 3.443 3.300 3.602 . 0 0 "[ . 1 . 2]" 1
471 1 17 CYS HB2 1 18 LYS H . . 4.480 4.411 4.393 4.434 . 0 0 "[ . 1 . 2]" 1
472 1 32 PRO HG2 1 33 ASN H . . 4.190 2.454 1.949 2.940 . 0 0 "[ . 1 . 2]" 1
473 1 32 PRO HG3 1 33 ASN H . . 4.460 3.944 3.567 4.308 . 0 0 "[ . 1 . 2]" 1
474 1 9 GLU H 1 29 CYS HB2 . . 3.360 2.277 1.968 2.481 . 0 0 "[ . 1 . 2]" 1
475 1 20 PRO HD3 1 21 LEU H . . 4.660 3.948 3.946 3.951 . 0 0 "[ . 1 . 2]" 1
476 1 17 CYS HB3 1 21 LEU H . . 5.500 5.602 5.570 5.624 0.124 17 0 "[ . 1 . 2]" 1
477 1 24 ASN HB3 1 25 LYS H . . 3.640 3.541 3.535 3.557 . 0 0 "[ . 1 . 2]" 1
478 1 9 GLU HG2 1 10 SER H . . 3.800 3.808 3.686 3.842 0.042 19 0 "[ . 1 . 2]" 1
479 1 30 VAL HB 1 31 ASP H . . 3.970 3.422 3.254 4.000 0.030 17 0 "[ . 1 . 2]" 1
480 1 1 ASP HA 1 2 PHE H . . 3.180 2.329 2.177 2.678 . 0 0 "[ . 1 . 2]" 1
481 1 13 ARG HA 1 15 ARG H . . 3.610 2.435 2.416 2.462 . 0 0 "[ . 1 . 2]" 1
482 1 12 VAL HA 1 13 ARG H . . 2.690 2.155 2.143 2.168 . 0 0 "[ . 1 . 2]" 1
483 1 32 PRO HA 1 34 LYS H . . 5.160 3.852 3.710 4.097 . 0 0 "[ . 1 . 2]" 1
484 1 4 LEU HB2 1 18 LYS H . . 4.280 3.945 3.743 4.198 . 0 0 "[ . 1 . 2]" 1
485 1 4 LEU MD1 1 18 LYS H . . 4.750 3.977 3.794 4.344 . 0 0 "[ . 1 . 2]" 1
486 1 12 VAL HB 1 13 ARG H . . 4.390 4.335 4.241 4.386 . 0 0 "[ . 1 . 2]" 1
487 1 13 ARG H 1 13 ARG HG2 . . 3.630 3.534 3.341 3.648 0.018 14 0 "[ . 1 . 2]" 1
488 1 27 GLN H 1 27 GLN HA . . 2.690 2.304 2.302 2.307 . 0 0 "[ . 1 . 2]" 1
489 1 23 CYS H 1 23 CYS HB3 . . 3.720 3.654 3.632 3.685 . 0 0 "[ . 1 . 2]" 1
490 1 14 PRO HD2 1 15 ARG H . . 4.050 2.868 2.858 2.883 . 0 0 "[ . 1 . 2]" 1
491 1 7 GLU HA 1 8 TYR H . . 3.060 2.198 2.176 2.229 . 0 0 "[ . 1 . 2]" 1
492 1 9 GLU H 1 29 CYS HB3 . . 4.430 3.844 3.602 3.987 . 0 0 "[ . 1 . 2]" 1
493 1 6 LYS H 1 9 GLU HG3 . . 4.290 4.226 3.824 4.308 0.018 18 0 "[ . 1 . 2]" 1
494 1 14 PRO HG2 1 15 ARG H . . 5.050 3.096 3.079 3.121 . 0 0 "[ . 1 . 2]" 1
495 1 7 GLU H 1 7 GLU HG2 . . 3.530 2.550 2.113 2.724 . 0 0 "[ . 1 . 2]" 1
496 1 6 LYS HG2 1 7 GLU H . . 3.620 3.462 2.188 3.847 0.227 3 0 "[ . 1 . 2]" 1
497 1 8 TYR H 1 28 ILE HB . . 5.140 4.661 4.404 4.941 . 0 0 "[ . 1 . 2]" 1
498 1 7 GLU HB2 1 8 TYR H . . 3.780 3.037 2.912 3.127 . 0 0 "[ . 1 . 2]" 1
499 1 8 TYR H 1 21 LEU MD1 . . 4.840 3.677 3.481 3.895 . 0 0 "[ . 1 . 2]" 1
500 1 4 LEU H 1 4 LEU HB3 . . 3.690 3.596 3.580 3.615 . 0 0 "[ . 1 . 2]" 1
501 1 13 ARG H 1 13 ARG HG3 . . 3.630 2.578 2.246 2.809 . 0 0 "[ . 1 . 2]" 1
502 1 15 ARG H 1 15 ARG HB3 . . 3.620 3.590 3.584 3.595 . 0 0 "[ . 1 . 2]" 1
503 1 26 ALA MB 1 27 GLN H . . 3.560 3.462 3.455 3.469 . 0 0 "[ . 1 . 2]" 1
504 1 15 ARG HG3 1 16 LYS H . . 5.050 4.996 4.956 5.019 . 0 0 "[ . 1 . 2]" 1
505 1 10 SER H 1 28 ILE MG . . 4.790 4.349 4.200 4.732 . 0 0 "[ . 1 . 2]" 1
506 1 4 LEU H 1 4 LEU MD2 . . 3.910 3.585 3.358 3.917 0.007 15 0 "[ . 1 . 2]" 1
507 1 24 ASN HD21 1 28 ILE MD . . 4.410 3.739 3.631 3.797 . 0 0 "[ . 1 . 2]" 1
508 1 8 TYR H 1 21 LEU MD2 . . 4.840 4.451 4.250 4.753 . 0 0 "[ . 1 . 2]" 1
509 1 21 LEU MD2 1 22 LYS H . . 4.890 3.792 3.684 3.884 . 0 0 "[ . 1 . 2]" 1
510 1 7 GLU H 1 21 LEU MD2 . . 4.430 4.410 4.239 4.466 0.036 4 0 "[ . 1 . 2]" 1
511 1 6 LYS H 1 9 GLU H . . 5.500 5.436 4.861 5.534 0.034 4 0 "[ . 1 . 2]" 1
512 1 8 TYR H 1 29 CYS H . . 3.910 3.606 3.380 3.927 0.017 3 0 "[ . 1 . 2]" 1
513 1 8 TYR HA 1 28 ILE HG13 . . 5.500 4.875 4.638 5.150 . 0 0 "[ . 1 . 2]" 1
514 1 8 TYR HA 1 28 ILE HB . . 3.600 3.205 3.062 3.409 . 0 0 "[ . 1 . 2]" 1
515 1 25 LYS HA 1 27 GLN HG2 . . 5.500 5.338 5.267 5.541 0.041 18 0 "[ . 1 . 2]" 1
516 1 11 CYS HB2 1 15 ARG HB2 . . 5.500 5.467 5.393 5.525 0.025 4 0 "[ . 1 . 2]" 1
517 1 11 CYS HB2 1 28 ILE HB . . 5.270 5.065 5.000 5.125 . 0 0 "[ . 1 . 2]" 1
518 1 4 LEU HB2 1 4 LEU MD1 . . 3.260 2.079 1.996 2.225 . 0 0 "[ . 1 . 2]" 1
519 1 28 ILE HG12 1 28 ILE MG . . 2.960 2.213 2.076 2.303 . 0 0 "[ . 1 . 2]" 1
520 1 11 CYS HA 1 15 ARG HG2 . . 5.500 5.599 5.580 5.617 0.117 4 0 "[ . 1 . 2]" 1
521 1 15 ARG HA 1 15 ARG HG2 . . 3.280 2.597 2.583 2.623 . 0 0 "[ . 1 . 2]" 1
522 1 27 GLN HA 1 28 ILE MG . . 4.800 4.354 4.304 4.401 . 0 0 "[ . 1 . 2]" 1
523 1 16 LYS HA 1 16 LYS HB3 . . 3.010 2.666 2.519 2.980 . 0 0 "[ . 1 . 2]" 1
524 1 15 ARG HA 1 15 ARG HB3 . . 3.000 2.427 2.414 2.442 . 0 0 "[ . 1 . 2]" 1
525 1 7 GLU HA 1 7 GLU HG2 . . 3.680 3.581 3.567 3.615 . 0 0 "[ . 1 . 2]" 1
526 1 16 LYS HA 1 16 LYS HG2 . . 3.970 2.524 2.152 3.220 . 0 0 "[ . 1 . 2]" 1
527 1 22 LYS HA 1 22 LYS HD2 . . 4.330 3.069 2.021 4.323 . 0 0 "[ . 1 . 2]" 1
528 1 20 PRO HG3 1 32 PRO HD2 . . 4.600 4.624 4.613 4.633 0.033 18 0 "[ . 1 . 2]" 1
529 1 27 GLN HG3 1 28 ILE HA . . 5.320 4.758 4.595 4.805 . 0 0 "[ . 1 . 2]" 1
530 1 29 CYS HB3 1 30 VAL HA . . 5.500 4.693 4.674 4.726 . 0 0 "[ . 1 . 2]" 1
531 1 11 CYS HA 1 15 ARG HD2 . . 5.200 4.915 4.790 5.114 . 0 0 "[ . 1 . 2]" 1
532 1 11 CYS HA 1 15 ARG HD3 . . 4.590 4.132 3.990 4.233 . 0 0 "[ . 1 . 2]" 1
533 1 15 ARG HA 1 15 ARG HD2 . . 5.430 4.857 4.825 4.917 . 0 0 "[ . 1 . 2]" 1
534 1 21 LEU HA 1 32 PRO HD2 . . 3.770 3.783 3.717 3.811 0.041 7 0 "[ . 1 . 2]" 1
535 1 34 LYS HA 1 35 GLY HA2 . . 5.500 5.047 4.865 5.245 . 0 0 "[ . 1 . 2]" 1
536 1 21 LEU HG 1 29 CYS HB3 . . 4.730 4.682 4.627 4.736 0.006 17 0 "[ . 1 . 2]" 1
537 1 22 LYS HG2 1 32 PRO HB3 . . 4.570 3.454 3.059 4.375 . 0 0 "[ . 1 . 2]" 1
538 1 21 LEU HB3 1 29 CYS HB3 . . 3.140 2.549 2.527 2.607 . 0 0 "[ . 1 . 2]" 1
539 1 21 LEU HB2 1 21 LEU MD1 . . 3.590 2.405 2.345 2.424 . 0 0 "[ . 1 . 2]" 1
540 1 21 LEU MD1 1 29 CYS HB3 . . 4.260 2.178 2.032 2.308 . 0 0 "[ . 1 . 2]" 1
541 1 28 ILE MD 1 30 VAL HB . . 4.630 4.470 3.367 4.648 0.018 10 0 "[ . 1 . 2]" 1
542 1 25 LYS HA 1 27 GLN HE21 . . 5.500 5.575 5.561 5.615 0.115 19 0 "[ . 1 . 2]" 1
543 1 27 GLN HA 1 27 GLN HE21 . . 5.500 4.481 4.374 4.568 . 0 0 "[ . 1 . 2]" 1
544 1 2 PHE H 1 2 PHE HB3 . . 3.670 3.552 3.524 3.637 . 0 0 "[ . 1 . 2]" 1
545 1 21 LEU HB2 1 29 CYS HB3 . . 3.380 3.209 3.159 3.267 . 0 0 "[ . 1 . 2]" 1
546 1 11 CYS HB3 1 23 CYS HB2 . . 5.200 4.658 4.570 4.801 . 0 0 "[ . 1 . 2]" 1
547 1 11 CYS HB3 1 23 CYS HB3 . . 4.880 3.207 3.117 3.353 . 0 0 "[ . 1 . 2]" 1
548 1 7 GLU HG2 1 8 TYR QD . . 4.020 3.678 3.478 3.898 . 0 0 "[ . 1 . 2]" 1
549 1 7 GLU HG2 1 8 TYR QE . . 4.920 4.773 4.619 4.922 0.002 19 0 "[ . 1 . 2]" 1
550 1 3 PRO HA 1 4 LEU H . . 2.990 2.362 2.353 2.413 . 0 0 "[ . 1 . 2]" 1
551 1 4 LEU H 1 4 LEU HB2 . . 3.180 2.514 2.394 2.599 . 0 0 "[ . 1 . 2]" 1
552 1 10 SER HA 1 11 CYS H . . 2.950 2.221 2.199 2.249 . 0 0 "[ . 1 . 2]" 1
553 1 28 ILE H 1 28 ILE MG . . 3.780 3.182 3.143 3.227 . 0 0 "[ . 1 . 2]" 1
554 1 28 ILE MD 1 29 CYS H . . 4.240 3.891 3.736 4.067 . 0 0 "[ . 1 . 2]" 1
555 1 20 PRO HG2 1 21 LEU H . . 4.770 3.053 3.046 3.061 . 0 0 "[ . 1 . 2]" 1
556 1 32 PRO HG3 1 33 ASN HD21 . . 5.160 4.340 3.887 5.078 . 0 0 "[ . 1 . 2]" 1
557 1 2 PHE QD 1 3 PRO HD3 . . 4.120 2.575 2.433 3.367 . 0 0 "[ . 1 . 2]" 1
558 1 22 LYS HB2 1 36 TRP HZ2 . . 5.360 2.522 2.112 3.026 . 0 0 "[ . 1 . 2]" 1
559 1 16 LYS HG2 1 17 CYS H . . 5.180 3.849 2.492 4.582 . 0 0 "[ . 1 . 2]" 1
560 1 11 CYS HB3 1 24 ASN H . . 5.070 4.816 4.632 4.919 . 0 0 "[ . 1 . 2]" 1
561 1 22 LYS HG2 1 23 CYS H . . 5.070 4.725 4.130 4.973 . 0 0 "[ . 1 . 2]" 1
562 1 2 PHE QE 1 15 ARG HE . . 5.230 4.811 4.450 5.232 0.002 20 0 "[ . 1 . 2]" 1
563 1 1 ASP QB 1 2 PHE H . . 4.040 2.765 1.935 3.398 . 0 0 "[ . 1 . 2]" 1
564 1 2 PHE H 1 2 PHE QB . . 2.830 2.277 2.223 2.421 . 0 0 "[ . 1 . 2]" 1
565 1 2 PHE H 1 3 PRO QD . . 4.570 4.369 4.343 4.374 . 0 0 "[ . 1 . 2]" 1
566 1 2 PHE HA 1 3 PRO QD . . 3.370 2.148 2.126 2.153 . 0 0 "[ . 1 . 2]" 1
567 1 2 PHE QB 1 3 PRO QG . . 4.630 3.472 3.468 3.489 . 0 0 "[ . 1 . 2]" 1
568 1 2 PHE QB 1 3 PRO QD . . 3.120 1.968 1.958 1.973 . 0 0 "[ . 1 . 2]" 1
569 1 2 PHE QB 1 15 ARG HA . . 3.760 2.417 1.972 2.750 . 0 0 "[ . 1 . 2]" 1
570 1 2 PHE QB 1 15 ARG HG2 . . 3.570 2.792 2.318 3.191 . 0 0 "[ . 1 . 2]" 1
571 1 2 PHE QB 1 15 ARG HG3 . . 5.150 3.826 3.257 4.268 . 0 0 "[ . 1 . 2]" 1
572 1 2 PHE QB 1 15 ARG HE . . 5.110 4.238 3.727 4.706 . 0 0 "[ . 1 . 2]" 1
573 1 2 PHE QD 1 3 PRO QD . . 3.500 1.963 1.910 2.172 . 0 0 "[ . 1 . 2]" 1
574 1 2 PHE QD 1 14 PRO QB . . 4.750 3.784 3.214 3.895 . 0 0 "[ . 1 . 2]" 1
575 1 2 PHE QE 1 3 PRO QD . . 5.130 3.956 3.890 4.263 . 0 0 "[ . 1 . 2]" 1
576 1 2 PHE QE 1 14 PRO QB . . 5.340 5.169 4.488 5.323 . 0 0 "[ . 1 . 2]" 1
577 1 3 PRO HA 1 4 LEU QD . . 4.580 4.235 4.049 4.331 . 0 0 "[ . 1 . 2]" 1
578 1 3 PRO QB 1 4 LEU H . . 3.610 2.627 2.512 2.649 . 0 0 "[ . 1 . 2]" 1
579 1 3 PRO QB 1 4 LEU QD . . 4.760 4.601 4.429 4.769 0.009 1 0 "[ . 1 . 2]" 1
580 1 3 PRO QG 1 4 LEU H . . 4.240 4.233 4.144 4.249 0.009 4 0 "[ . 1 . 2]" 1
581 1 4 LEU H 1 4 LEU QD . . 3.430 3.086 3.013 3.259 . 0 0 "[ . 1 . 2]" 1
582 1 4 LEU HA 1 4 LEU QD . . 2.860 2.284 2.071 2.506 . 0 0 "[ . 1 . 2]" 1
583 1 4 LEU HB2 1 4 LEU QD . . 2.480 2.052 1.974 2.184 . 0 0 "[ . 1 . 2]" 1
584 1 4 LEU HB2 1 18 LYS QE . . 2.900 2.781 2.526 2.917 0.017 20 0 "[ . 1 . 2]" 1
585 1 4 LEU HB3 1 4 LEU QD . . 3.040 2.084 1.997 2.149 . 0 0 "[ . 1 . 2]" 1
586 1 4 LEU HB3 1 5 SER QB . . 5.340 5.053 4.890 5.229 . 0 0 "[ . 1 . 2]" 1
587 1 4 LEU HG 1 18 LYS QE . . 4.500 4.382 4.209 4.557 0.057 10 0 "[ . 1 . 2]" 1
588 1 4 LEU QD 1 5 SER H . . 3.840 3.387 3.147 3.719 . 0 0 "[ . 1 . 2]" 1
589 1 4 LEU QD 1 5 SER QB . . 5.280 5.161 4.988 5.269 . 0 0 "[ . 1 . 2]" 1
590 1 4 LEU QD 1 16 LYS H . . 4.700 4.208 3.825 4.477 . 0 0 "[ . 1 . 2]" 1
591 1 4 LEU QD 1 16 LYS HB2 . . 3.090 2.850 2.621 3.117 0.027 1 0 "[ . 1 . 2]" 1
592 1 4 LEU QD 1 16 LYS HB3 . . 3.200 2.645 1.888 3.152 . 0 0 "[ . 1 . 2]" 1
593 1 4 LEU QD 1 16 LYS QG . . 4.070 3.883 2.847 4.092 0.022 16 0 "[ . 1 . 2]" 1
594 1 4 LEU QD 1 17 CYS H . . 3.960 3.883 3.585 3.996 0.036 2 0 "[ . 1 . 2]" 1
595 1 4 LEU QD 1 18 LYS H . . 4.160 2.868 2.526 3.145 . 0 0 "[ . 1 . 2]" 1
596 1 4 LEU QD 1 18 LYS HA . . 3.010 2.209 1.916 2.492 . 0 0 "[ . 1 . 2]" 1
597 1 4 LEU QD 1 18 LYS HB2 . . 3.130 2.096 1.901 2.616 . 0 0 "[ . 1 . 2]" 1
598 1 4 LEU QD 1 18 LYS QE . . 3.450 2.044 1.865 2.527 . 0 0 "[ . 1 . 2]" 1
599 1 4 LEU QD 1 19 PRO QG . . 4.410 4.117 3.967 4.215 . 0 0 "[ . 1 . 2]" 1
600 1 4 LEU QD 1 19 PRO HD2 . . 3.200 2.949 2.843 3.111 . 0 0 "[ . 1 . 2]" 1
601 1 4 LEU QD 1 19 PRO HD3 . . 3.340 3.254 2.889 3.347 0.007 3 0 "[ . 1 . 2]" 1
602 1 5 SER H 1 5 SER QB . . 3.240 2.747 2.524 2.941 . 0 0 "[ . 1 . 2]" 1
603 1 5 SER HA 1 6 LYS QB . . 4.260 4.143 4.057 4.231 . 0 0 "[ . 1 . 2]" 1
604 1 5 SER HA 1 6 LYS QG . . 5.340 4.774 4.397 5.122 . 0 0 "[ . 1 . 2]" 1
605 1 5 SER HA 1 9 GLU QB . . 4.930 3.999 3.894 4.086 . 0 0 "[ . 1 . 2]" 1
606 1 5 SER QB 1 6 LYS H . . 3.380 2.421 2.055 2.607 . 0 0 "[ . 1 . 2]" 1
607 1 5 SER QB 1 6 LYS HA . . 5.110 4.270 4.174 4.439 . 0 0 "[ . 1 . 2]" 1
608 1 5 SER QB 1 9 GLU H . . 4.590 4.309 4.188 4.437 . 0 0 "[ . 1 . 2]" 1
609 1 5 SER QB 1 9 GLU HA . . 5.090 4.390 4.283 4.447 . 0 0 "[ . 1 . 2]" 1
610 1 5 SER QB 1 9 GLU QB . . 3.440 1.927 1.850 2.012 . 0 0 "[ . 1 . 2]" 1
611 1 5 SER QB 1 9 GLU HG2 . . 3.710 2.045 1.979 2.255 . 0 0 "[ . 1 . 2]" 1
612 1 5 SER QB 1 9 GLU HG3 . . 3.470 2.647 2.495 2.907 . 0 0 "[ . 1 . 2]" 1
613 1 5 SER QB 1 10 SER H . . 5.040 4.157 3.363 4.360 . 0 0 "[ . 1 . 2]" 1
614 1 5 SER QB 1 11 CYS HB2 . . 5.340 5.156 5.022 5.348 0.008 18 0 "[ . 1 . 2]" 1
615 1 5 SER QB 1 17 CYS H . . 5.340 5.326 5.087 5.357 0.017 15 0 "[ . 1 . 2]" 1
616 1 5 SER QB 1 17 CYS HA . . 3.280 3.021 2.798 3.139 . 0 0 "[ . 1 . 2]" 1
617 1 5 SER QB 1 17 CYS HB3 . . 4.470 4.262 4.111 4.409 . 0 0 "[ . 1 . 2]" 1
618 1 5 SER QB 1 18 LYS H . . 4.360 4.225 4.057 4.346 . 0 0 "[ . 1 . 2]" 1
619 1 5 SER QB 1 21 LEU QD . . 4.970 4.675 4.499 4.787 . 0 0 "[ . 1 . 2]" 1
620 1 5 SER QB 1 29 CYS HB2 . . 4.610 4.545 4.408 4.639 0.029 18 0 "[ . 1 . 2]" 1
621 1 6 LYS H 1 6 LYS QB . . 3.050 2.466 2.082 2.647 . 0 0 "[ . 1 . 2]" 1
622 1 6 LYS H 1 6 LYS QG . . 3.580 2.647 2.346 3.647 0.067 17 0 "[ . 1 . 2]" 1
623 1 6 LYS H 1 6 LYS QD . . 4.550 3.440 3.031 4.329 . 0 0 "[ . 1 . 2]" 1
624 1 6 LYS H 1 6 LYS QE . . 5.340 4.701 4.060 5.040 . 0 0 "[ . 1 . 2]" 1
625 1 6 LYS H 1 9 GLU QB . . 3.340 2.751 2.370 3.074 . 0 0 "[ . 1 . 2]" 1
626 1 6 LYS H 1 21 LEU QD . . 5.440 4.951 4.725 5.054 . 0 0 "[ . 1 . 2]" 1
627 1 6 LYS HA 1 6 LYS QG . . 3.450 3.139 2.138 3.333 . 0 0 "[ . 1 . 2]" 1
628 1 6 LYS HA 1 21 LEU QD . . 3.230 3.143 2.970 3.241 0.011 13 0 "[ . 1 . 2]" 1
629 1 6 LYS QB 1 6 LYS QE . . 3.220 2.786 2.086 3.348 0.128 9 0 "[ . 1 . 2]" 1
630 1 6 LYS QB 1 7 GLU H . . 3.840 2.286 1.915 2.501 . 0 0 "[ . 1 . 2]" 1
631 1 6 LYS QB 1 9 GLU QB . . 4.600 4.008 3.112 4.221 . 0 0 "[ . 1 . 2]" 1
632 1 6 LYS QB 1 9 GLU HG2 . . 4.720 4.434 3.345 4.716 . 0 0 "[ . 1 . 2]" 1
633 1 6 LYS QE 1 6 LYS QG . . 2.970 2.122 1.971 2.799 . 0 0 "[ . 1 . 2]" 1
634 1 6 LYS QG 1 7 GLU H . . 2.870 2.722 2.171 2.904 0.034 19 0 "[ . 1 . 2]" 1
635 1 6 LYS QG 1 7 GLU HA . . 5.230 4.327 3.972 5.224 . 0 0 "[ . 1 . 2]" 1
636 1 6 LYS QG 1 7 GLU HG2 . . 4.110 2.835 2.244 3.971 . 0 0 "[ . 1 . 2]" 1
637 1 6 LYS QG 1 9 GLU HG2 . . 5.340 3.708 3.127 5.429 0.089 17 0 "[ . 1 . 2]" 1
638 1 6 LYS QD 1 7 GLU H . . 5.030 4.404 2.554 4.753 . 0 0 "[ . 1 . 2]" 1
639 1 6 LYS QE 1 7 GLU H . . 4.920 4.340 2.721 4.895 . 0 0 "[ . 1 . 2]" 1
640 1 6 LYS QE 1 7 GLU HG2 . . 3.870 3.754 2.546 3.929 0.059 5 0 "[ . 1 . 2]" 1
641 1 7 GLU H 1 21 LEU QD . . 3.210 2.752 2.595 3.046 . 0 0 "[ . 1 . 2]" 1
642 1 7 GLU HA 1 21 LEU QD . . 2.950 2.026 1.873 2.211 . 0 0 "[ . 1 . 2]" 1
643 1 7 GLU HG3 1 21 LEU QD . . 4.500 4.396 4.223 4.513 0.013 20 0 "[ . 1 . 2]" 1
644 1 8 TYR H 1 21 LEU QD . . 3.710 3.511 3.346 3.720 0.010 19 0 "[ . 1 . 2]" 1
645 1 8 TYR H 1 30 VAL QG . . 5.440 3.867 3.629 4.793 . 0 0 "[ . 1 . 2]" 1
646 1 8 TYR HA 1 9 GLU QB . . 5.230 4.591 4.548 4.722 . 0 0 "[ . 1 . 2]" 1
647 1 8 TYR HA 1 30 VAL QG . . 5.440 3.693 3.289 5.044 . 0 0 "[ . 1 . 2]" 1
648 1 8 TYR QD 1 30 VAL QG . . 5.080 2.735 2.331 4.175 . 0 0 "[ . 1 . 2]" 1
649 1 9 GLU H 1 9 GLU QB . . 3.000 2.619 2.374 2.683 . 0 0 "[ . 1 . 2]" 1
650 1 9 GLU H 1 21 LEU QD . . 5.440 4.706 4.394 4.883 . 0 0 "[ . 1 . 2]" 1
651 1 9 GLU HA 1 10 SER QB . . 4.820 4.571 4.193 4.824 0.004 13 0 "[ . 1 . 2]" 1
652 1 9 GLU QB 1 9 GLU HG3 . . 2.590 2.323 2.276 2.353 . 0 0 "[ . 1 . 2]" 1
653 1 9 GLU QB 1 10 SER H . . 3.950 3.167 2.134 3.338 . 0 0 "[ . 1 . 2]" 1
654 1 9 GLU HG3 1 10 SER QB . . 5.090 3.576 3.175 4.185 . 0 0 "[ . 1 . 2]" 1
655 1 10 SER H 1 10 SER QB . . 2.860 2.464 2.059 2.874 0.014 12 0 "[ . 1 . 2]" 1
656 1 10 SER HA 1 12 VAL QG . . 4.010 3.878 3.815 3.969 . 0 0 "[ . 1 . 2]" 1
657 1 10 SER QB 1 11 CYS H . . 3.870 2.995 2.817 3.448 . 0 0 "[ . 1 . 2]" 1
658 1 10 SER QB 1 12 VAL H . . 4.490 3.068 2.834 3.641 . 0 0 "[ . 1 . 2]" 1
659 1 10 SER QB 1 12 VAL QG . . 3.950 2.887 2.379 3.665 . 0 0 "[ . 1 . 2]" 1
660 1 10 SER QB 1 15 ARG HB3 . . 5.340 4.435 4.007 4.554 . 0 0 "[ . 1 . 2]" 1
661 1 10 SER QB 1 15 ARG HG2 . . 5.340 5.225 4.609 5.357 0.017 1 0 "[ . 1 . 2]" 1
662 1 10 SER QB 1 15 ARG HD2 . . 4.570 3.255 2.509 3.585 . 0 0 "[ . 1 . 2]" 1
663 1 10 SER QB 1 15 ARG HD3 . . 3.940 2.833 2.278 3.034 . 0 0 "[ . 1 . 2]" 1
664 1 10 SER QB 1 15 ARG HE . . 5.270 4.394 3.846 4.925 . 0 0 "[ . 1 . 2]" 1
665 1 10 SER QB 1 28 ILE MG . . 5.340 4.401 4.118 4.589 . 0 0 "[ . 1 . 2]" 1
666 1 11 CYS H 1 12 VAL QG . . 3.680 3.084 3.007 3.216 . 0 0 "[ . 1 . 2]" 1
667 1 12 VAL H 1 12 VAL QG . . 3.090 2.081 1.987 2.191 . 0 0 "[ . 1 . 2]" 1
668 1 12 VAL HA 1 12 VAL QG . . 2.650 2.108 2.041 2.347 . 0 0 "[ . 1 . 2]" 1
669 1 12 VAL HA 1 13 ARG QB . . 4.310 4.190 4.143 4.276 . 0 0 "[ . 1 . 2]" 1
670 1 12 VAL HA 1 13 ARG QG . . 4.710 4.340 4.098 4.502 . 0 0 "[ . 1 . 2]" 1
671 1 12 VAL QG 1 13 ARG H . . 3.240 2.907 2.733 3.077 . 0 0 "[ . 1 . 2]" 1
672 1 12 VAL QG 1 27 GLN HA . . 5.440 4.624 4.420 5.254 . 0 0 "[ . 1 . 2]" 1
673 1 12 VAL QG 1 27 GLN HB2 . . 3.480 2.503 2.188 3.451 . 0 0 "[ . 1 . 2]" 1
674 1 12 VAL QG 1 27 GLN HB3 . . 4.540 3.382 3.130 4.250 . 0 0 "[ . 1 . 2]" 1
675 1 12 VAL QG 1 27 GLN HG2 . . 4.990 4.059 3.859 4.814 . 0 0 "[ . 1 . 2]" 1
676 1 12 VAL QG 1 27 GLN HG3 . . 3.830 3.284 3.110 3.888 0.058 18 0 "[ . 1 . 2]" 1
677 1 12 VAL QG 1 27 GLN HE21 . . 4.670 3.561 3.308 4.131 . 0 0 "[ . 1 . 2]" 1
678 1 12 VAL QG 1 27 GLN HE22 . . 3.700 3.023 2.835 3.430 . 0 0 "[ . 1 . 2]" 1
679 1 13 ARG H 1 13 ARG QB . . 3.020 2.324 2.263 2.446 . 0 0 "[ . 1 . 2]" 1
680 1 13 ARG H 1 13 ARG QG . . 3.070 2.514 2.226 2.695 . 0 0 "[ . 1 . 2]" 1
681 1 13 ARG H 1 13 ARG QD . . 4.850 4.158 3.448 4.493 . 0 0 "[ . 1 . 2]" 1
682 1 13 ARG HA 1 13 ARG QG . . 2.760 2.241 2.139 2.413 . 0 0 "[ . 1 . 2]" 1
683 1 13 ARG HA 1 13 ARG QD . . 4.260 3.939 3.685 4.160 . 0 0 "[ . 1 . 2]" 1
684 1 13 ARG HA 1 14 PRO QB . . 4.330 3.982 3.966 3.990 . 0 0 "[ . 1 . 2]" 1
685 1 13 ARG QB 1 13 ARG QD . . 2.920 2.218 2.061 2.395 . 0 0 "[ . 1 . 2]" 1
686 1 13 ARG QB 1 13 ARG HE . . 4.540 2.877 2.026 4.190 . 0 0 "[ . 1 . 2]" 1
687 1 13 ARG HE 1 13 ARG QG . . 3.570 2.643 2.179 3.288 . 0 0 "[ . 1 . 2]" 1
688 1 13 ARG QG 1 14 PRO HA . . 3.170 2.708 2.591 2.881 . 0 0 "[ . 1 . 2]" 1
689 1 14 PRO QG 1 15 ARG H . . 4.210 3.039 3.024 3.063 . 0 0 "[ . 1 . 2]" 1
690 1 14 PRO QG 1 15 ARG HG2 . . 5.350 4.235 4.072 4.416 . 0 0 "[ . 1 . 2]" 1
691 1 16 LYS H 1 16 LYS QG . . 4.070 3.629 3.332 4.195 0.125 1 0 "[ . 1 . 2]" 1
692 1 16 LYS HA 1 16 LYS QG . . 3.450 2.363 2.113 2.685 . 0 0 "[ . 1 . 2]" 1
693 1 16 LYS QG 1 17 CYS H . . 4.390 3.613 2.225 4.126 . 0 0 "[ . 1 . 2]" 1
694 1 16 LYS QD 1 17 CYS H . . 5.340 3.675 2.454 4.951 . 0 0 "[ . 1 . 2]" 1
695 1 16 LYS QE 1 17 CYS H . . 4.470 3.913 2.040 4.482 0.012 1 0 "[ . 1 . 2]" 1
696 1 17 CYS HB2 1 21 LEU QD . . 4.760 4.574 4.507 4.607 . 0 0 "[ . 1 . 2]" 1
697 1 17 CYS HB3 1 21 LEU QD . . 3.660 3.262 3.155 3.313 . 0 0 "[ . 1 . 2]" 1
698 1 18 LYS H 1 18 LYS QG . . 4.680 3.956 3.818 4.013 . 0 0 "[ . 1 . 2]" 1
699 1 18 LYS H 1 18 LYS QE . . 5.340 4.365 4.178 4.595 . 0 0 "[ . 1 . 2]" 1
700 1 18 LYS H 1 21 LEU QD . . 3.980 3.938 3.777 4.001 0.021 14 0 "[ . 1 . 2]" 1
701 1 18 LYS HA 1 18 LYS QG . . 2.750 2.635 2.587 2.756 0.006 10 0 "[ . 1 . 2]" 1
702 1 18 LYS HA 1 18 LYS QE . . 4.890 4.117 3.970 4.381 . 0 0 "[ . 1 . 2]" 1
703 1 18 LYS HB2 1 18 LYS QE . . 3.110 2.151 2.011 2.284 . 0 0 "[ . 1 . 2]" 1
704 1 18 LYS HB3 1 18 LYS QE . . 3.660 2.847 2.455 3.363 . 0 0 "[ . 1 . 2]" 1
705 1 18 LYS HB3 1 21 LEU QD . . 3.480 3.468 3.340 3.531 0.051 16 0 "[ . 1 . 2]" 1
706 1 18 LYS QE 1 18 LYS QG . . 2.960 2.435 2.146 2.887 . 0 0 "[ . 1 . 2]" 1
707 1 18 LYS QG 1 19 PRO HD2 . . 3.930 1.905 1.871 1.975 . 0 0 "[ . 1 . 2]" 1
708 1 18 LYS QG 1 19 PRO HD3 . . 3.610 3.329 3.285 3.413 . 0 0 "[ . 1 . 2]" 1
709 1 19 PRO QB 1 20 PRO HA . . 4.130 1.929 1.914 1.939 . 0 0 "[ . 1 . 2]" 1
710 1 19 PRO QB 1 21 LEU H . . 4.100 3.954 3.947 3.961 . 0 0 "[ . 1 . 2]" 1
711 1 19 PRO QG 1 20 PRO HA . . 5.070 3.860 3.848 3.869 . 0 0 "[ . 1 . 2]" 1
712 1 20 PRO HB3 1 21 LEU QD . . 5.390 5.264 5.216 5.324 . 0 0 "[ . 1 . 2]" 1
713 1 20 PRO HG2 1 21 LEU QD . . 4.160 3.097 3.043 3.171 . 0 0 "[ . 1 . 2]" 1
714 1 20 PRO HG3 1 21 LEU QD . . 4.740 4.488 4.451 4.520 . 0 0 "[ . 1 . 2]" 1
715 1 20 PRO HD2 1 21 LEU QD . . 4.320 3.285 3.162 3.386 . 0 0 "[ . 1 . 2]" 1
716 1 20 PRO HD3 1 21 LEU QD . . 5.280 4.625 4.556 4.681 . 0 0 "[ . 1 . 2]" 1
717 1 21 LEU HA 1 21 LEU QD . . 2.940 2.082 2.014 2.181 . 0 0 "[ . 1 . 2]" 1
718 1 21 LEU HA 1 31 ASP QB . . 5.340 4.290 4.052 4.544 . 0 0 "[ . 1 . 2]" 1
719 1 21 LEU HB2 1 21 LEU QD . . 2.970 2.338 2.287 2.354 . 0 0 "[ . 1 . 2]" 1
720 1 21 LEU QD 1 22 LYS H . . 3.750 3.666 3.577 3.740 . 0 0 "[ . 1 . 2]" 1
721 1 21 LEU QD 1 29 CYS HA . . 5.280 3.976 3.889 4.063 . 0 0 "[ . 1 . 2]" 1
722 1 21 LEU QD 1 29 CYS HB2 . . 3.270 2.928 2.859 2.986 . 0 0 "[ . 1 . 2]" 1
723 1 21 LEU QD 1 29 CYS HB3 . . 3.150 2.168 2.025 2.292 . 0 0 "[ . 1 . 2]" 1
724 1 21 LEU QD 1 30 VAL H . . 4.370 3.908 3.845 3.966 . 0 0 "[ . 1 . 2]" 1
725 1 21 LEU QD 1 30 VAL HB . . 5.440 5.286 5.217 5.404 . 0 0 "[ . 1 . 2]" 1
726 1 21 LEU QD 1 31 ASP H . . 3.820 2.958 2.816 3.197 . 0 0 "[ . 1 . 2]" 1
727 1 21 LEU QD 1 31 ASP HA . . 3.140 2.514 2.420 2.645 . 0 0 "[ . 1 . 2]" 1
728 1 21 LEU QD 1 31 ASP QB . . 3.790 3.329 3.213 3.581 . 0 0 "[ . 1 . 2]" 1
729 1 21 LEU QD 1 32 PRO HD2 . . 4.000 3.833 3.717 3.955 . 0 0 "[ . 1 . 2]" 1
730 1 21 LEU QD 1 32 PRO HD3 . . 4.020 3.819 3.552 3.982 . 0 0 "[ . 1 . 2]" 1
731 1 22 LYS H 1 22 LYS QG . . 3.570 2.935 2.850 3.054 . 0 0 "[ . 1 . 2]" 1
732 1 22 LYS H 1 22 LYS QD . . 5.340 4.213 3.837 4.798 . 0 0 "[ . 1 . 2]" 1
733 1 22 LYS H 1 30 VAL QG . . 4.220 3.372 3.177 3.530 . 0 0 "[ . 1 . 2]" 1
734 1 22 LYS HB2 1 30 VAL QG . . 3.710 3.544 3.210 3.664 . 0 0 "[ . 1 . 2]" 1
735 1 22 LYS QG 1 30 VAL H . . 5.340 5.368 5.336 5.387 0.047 17 0 "[ . 1 . 2]" 1
736 1 22 LYS QG 1 32 PRO HA . . 4.220 3.681 3.079 4.062 . 0 0 "[ . 1 . 2]" 1
737 1 22 LYS QG 1 32 PRO HB2 . . 4.420 4.134 3.646 4.348 . 0 0 "[ . 1 . 2]" 1
738 1 22 LYS QG 1 32 PRO HB3 . . 3.900 2.560 2.068 2.703 . 0 0 "[ . 1 . 2]" 1
739 1 22 LYS QG 1 32 PRO HG2 . . 4.850 4.667 4.595 4.796 . 0 0 "[ . 1 . 2]" 1
740 1 22 LYS QG 1 32 PRO HG3 . . 4.600 3.425 3.335 3.688 . 0 0 "[ . 1 . 2]" 1
741 1 22 LYS QG 1 32 PRO HD2 . . 5.110 4.448 4.267 4.743 . 0 0 "[ . 1 . 2]" 1
742 1 22 LYS QG 1 32 PRO HD3 . . 4.340 2.866 2.625 3.253 . 0 0 "[ . 1 . 2]" 1
743 1 22 LYS QD 1 32 PRO HD3 . . 5.340 4.761 4.321 5.343 0.003 19 0 "[ . 1 . 2]" 1
744 1 24 ASN H 1 30 VAL QG . . 3.600 3.403 3.306 3.537 . 0 0 "[ . 1 . 2]" 1
745 1 24 ASN HB2 1 25 LYS QG . . 3.900 3.358 2.971 3.685 . 0 0 "[ . 1 . 2]" 1
746 1 24 ASN HB3 1 30 VAL QG . . 3.140 2.796 2.664 2.869 . 0 0 "[ . 1 . 2]" 1
747 1 24 ASN HD21 1 30 VAL QG . . 3.130 2.152 2.025 2.385 . 0 0 "[ . 1 . 2]" 1
748 1 24 ASN HD22 1 30 VAL QG . . 3.560 2.723 2.607 2.912 . 0 0 "[ . 1 . 2]" 1
749 1 25 LYS H 1 25 LYS QB . . 2.830 2.482 2.348 2.595 . 0 0 "[ . 1 . 2]" 1
750 1 25 LYS H 1 25 LYS QG . . 3.220 2.142 1.951 2.435 . 0 0 "[ . 1 . 2]" 1
751 1 25 LYS H 1 25 LYS QD . . 4.960 3.614 2.078 4.201 . 0 0 "[ . 1 . 2]" 1
752 1 25 LYS HA 1 25 LYS QG . . 3.570 3.046 2.412 3.425 . 0 0 "[ . 1 . 2]" 1
753 1 25 LYS QB 1 26 ALA H . . 3.820 3.327 2.912 3.620 . 0 0 "[ . 1 . 2]" 1
754 1 25 LYS QG 1 26 ALA H . . 4.450 3.071 2.189 4.209 . 0 0 "[ . 1 . 2]" 1
755 1 25 LYS QG 1 27 GLN H . . 5.340 4.721 4.315 5.339 . 0 0 "[ . 1 . 2]" 1
756 1 26 ALA MB 1 30 VAL QG . . 5.440 3.742 3.656 4.123 . 0 0 "[ . 1 . 2]" 1
757 1 28 ILE H 1 30 VAL QG . . 4.570 3.974 3.921 4.177 . 0 0 "[ . 1 . 2]" 1
758 1 28 ILE HG13 1 30 VAL QG . . 3.500 2.334 2.106 2.763 . 0 0 "[ . 1 . 2]" 1
759 1 29 CYS H 1 30 VAL QG . . 4.690 3.869 3.708 4.608 . 0 0 "[ . 1 . 2]" 1
760 1 29 CYS HA 1 30 VAL QG . . 4.290 3.386 3.293 3.584 . 0 0 "[ . 1 . 2]" 1
761 1 30 VAL H 1 30 VAL QG . . 2.810 2.174 2.105 2.237 . 0 0 "[ . 1 . 2]" 1
762 1 30 VAL HA 1 30 VAL QG . . 3.140 2.200 2.089 2.356 . 0 0 "[ . 1 . 2]" 1
763 1 30 VAL HA 1 34 LYS QB . . 5.340 4.444 4.136 5.089 . 0 0 "[ . 1 . 2]" 1
764 1 30 VAL HB 1 31 ASP QB . . 5.340 4.773 4.544 5.535 0.195 17 0 "[ . 1 . 2]" 1
765 1 30 VAL HB 1 34 LYS QB . . 5.340 3.483 3.003 5.078 . 0 0 "[ . 1 . 2]" 1
766 1 30 VAL QG 1 31 ASP H . . 4.340 3.418 2.299 3.575 . 0 0 "[ . 1 . 2]" 1
767 1 30 VAL QG 1 31 ASP QB . . 5.280 4.497 3.199 4.779 . 0 0 "[ . 1 . 2]" 1
768 1 30 VAL QG 1 32 PRO HD3 . . 5.440 5.283 4.892 5.395 . 0 0 "[ . 1 . 2]" 1
769 1 30 VAL QG 1 36 TRP H . . 5.400 4.531 3.746 5.124 . 0 0 "[ . 1 . 2]" 1
770 1 30 VAL QG 1 36 TRP QB . . 4.160 3.126 2.614 4.168 0.008 18 0 "[ . 1 . 2]" 1
771 1 30 VAL QG 1 36 TRP HD1 . . 4.270 3.046 2.246 3.792 . 0 0 "[ . 1 . 2]" 1
772 1 30 VAL QG 1 36 TRP HE3 . . 5.000 4.277 3.887 4.841 . 0 0 "[ . 1 . 2]" 1
773 1 30 VAL QG 1 36 TRP HZ3 . . 5.350 5.009 4.283 5.354 0.004 18 0 "[ . 1 . 2]" 1
774 1 31 ASP H 1 31 ASP QB . . 3.000 2.350 2.050 2.666 . 0 0 "[ . 1 . 2]" 1
775 1 31 ASP H 1 34 LYS QB . . 4.110 3.383 3.059 3.908 . 0 0 "[ . 1 . 2]" 1
776 1 31 ASP HA 1 34 LYS QB . . 5.340 4.455 3.989 4.936 . 0 0 "[ . 1 . 2]" 1
777 1 31 ASP QB 1 32 PRO HA . . 5.150 4.589 4.552 4.642 . 0 0 "[ . 1 . 2]" 1
778 1 31 ASP QB 1 32 PRO HG2 . . 5.340 3.999 3.816 4.378 . 0 0 "[ . 1 . 2]" 1
779 1 31 ASP QB 1 32 PRO HD2 . . 3.670 2.394 2.077 2.918 . 0 0 "[ . 1 . 2]" 1
780 1 31 ASP QB 1 32 PRO HD3 . . 4.620 3.647 3.412 3.982 . 0 0 "[ . 1 . 2]" 1
781 1 31 ASP QB 1 33 ASN H . . 3.980 2.700 2.269 3.166 . 0 0 "[ . 1 . 2]" 1
782 1 31 ASP QB 1 34 LYS H . . 3.940 3.080 2.336 3.434 . 0 0 "[ . 1 . 2]" 1
783 1 31 ASP QB 1 34 LYS HA . . 4.500 3.824 3.348 4.517 0.017 2 0 "[ . 1 . 2]" 1
784 1 31 ASP QB 1 34 LYS QB . . 3.450 2.467 1.896 3.190 . 0 0 "[ . 1 . 2]" 1
785 1 31 ASP QB 1 36 TRP HD1 . . 5.090 4.944 4.689 5.086 . 0 0 "[ . 1 . 2]" 1
786 1 32 PRO HG3 1 33 ASN QD . . 4.380 3.878 3.401 4.288 . 0 0 "[ . 1 . 2]" 1
787 1 33 ASN H 1 33 ASN QB . . 2.900 2.542 2.280 2.896 . 0 0 "[ . 1 . 2]" 1
788 1 33 ASN H 1 33 ASN QD . . 4.230 2.689 2.044 3.281 . 0 0 "[ . 1 . 2]" 1
789 1 33 ASN H 1 34 LYS QB . . 5.300 4.129 3.928 4.595 . 0 0 "[ . 1 . 2]" 1
790 1 33 ASN QB 1 33 ASN QD . . 2.910 2.181 2.062 2.548 . 0 0 "[ . 1 . 2]" 1
791 1 33 ASN QB 1 34 LYS H . . 4.030 3.549 2.836 4.028 . 0 0 "[ . 1 . 2]" 1
792 1 33 ASN QB 1 34 LYS HA . . 5.340 4.211 3.886 4.654 . 0 0 "[ . 1 . 2]" 1
793 1 34 LYS H 1 34 LYS QB . . 2.990 2.229 2.044 2.326 . 0 0 "[ . 1 . 2]" 1
794 1 34 LYS H 1 34 LYS QD . . 5.040 4.261 3.768 4.593 . 0 0 "[ . 1 . 2]" 1
795 1 34 LYS H 1 35 GLY QA . . 5.340 4.437 4.160 4.668 . 0 0 "[ . 1 . 2]" 1
796 1 34 LYS HA 1 34 LYS QG . . 3.540 2.699 2.124 3.295 . 0 0 "[ . 1 . 2]" 1
797 1 34 LYS HA 1 35 GLY QA . . 4.820 4.242 4.216 4.289 . 0 0 "[ . 1 . 2]" 1
798 1 34 LYS QB 1 35 GLY H . . 3.350 2.604 2.167 3.475 0.125 2 0 "[ . 1 . 2]" 1
799 1 34 LYS QB 1 36 TRP H . . 4.470 3.096 2.484 4.424 . 0 0 "[ . 1 . 2]" 1
800 1 34 LYS QB 1 36 TRP HD1 . . 4.190 2.378 1.974 3.968 . 0 0 "[ . 1 . 2]" 1
801 1 34 LYS QG 1 35 GLY H . . 4.390 3.577 2.204 4.371 . 0 0 "[ . 1 . 2]" 1
802 1 34 LYS QG 1 35 GLY QA . . 5.180 3.882 3.233 5.078 . 0 0 "[ . 1 . 2]" 1
803 1 34 LYS QG 1 36 TRP H . . 4.650 3.776 2.287 4.653 0.003 3 0 "[ . 1 . 2]" 1
804 1 34 LYS QG 1 36 TRP HD1 . . 4.770 3.651 1.977 4.749 . 0 0 "[ . 1 . 2]" 1
805 1 35 GLY QA 1 36 TRP HD1 . . 4.830 4.518 4.336 4.848 0.018 18 0 "[ . 1 . 2]" 1
806 1 36 TRP H 1 36 TRP QB . . 3.240 2.586 2.341 3.021 . 0 0 "[ . 1 . 2]" 1
807 1 36 TRP QB 1 36 TRP HD1 . . 3.400 2.677 2.586 2.904 . 0 0 "[ . 1 . 2]" 1
808 1 36 TRP QB 1 36 TRP HE3 . . 3.450 2.490 2.375 2.600 . 0 0 "[ . 1 . 2]" 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 14
_Distance_constraint_stats_list.Viol_count 280
_Distance_constraint_stats_list.Viol_total 1378.231
_Distance_constraint_stats_list.Viol_max 0.509
_Distance_constraint_stats_list.Viol_rms 0.1497
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2461
_Distance_constraint_stats_list.Viol_average_violations_only 0.2461
_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 5 SER 15.201 0.509 4 14 "[ *+*****1-**** * *2]"
1 8 TYR 9.454 0.395 14 0 "[ . 1 . 2]"
1 11 CYS 6.000 0.311 4 0 "[ . 1 . 2]"
1 16 LYS 15.201 0.509 4 14 "[ *+*****1-**** * *2]"
1 22 LYS 29.182 0.504 18 1 "[ . 1 . + 2]"
1 24 ASN 9.074 0.223 17 0 "[ . 1 . 2]"
1 26 ALA 4.461 0.176 8 0 "[ . 1 . 2]"
1 27 GLN 10.613 0.311 4 0 "[ . 1 . 2]"
1 29 CYS 9.454 0.395 14 0 "[ . 1 . 2]"
1 30 VAL 29.182 0.504 18 1 "[ . 1 . + 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 22 LYS H 1 30 VAL O . . 1.700 2.121 1.821 2.204 0.504 18 1 "[ . 1 . + 2]" 2
2 1 22 LYS N 1 30 VAL O . . 2.700 3.074 2.788 3.150 0.450 1 0 "[ . 1 . 2]" 2
3 1 8 TYR H 1 29 CYS O . . 1.700 2.009 1.879 2.095 0.395 14 0 "[ . 1 . 2]" 2
4 1 8 TYR N 1 29 CYS O . . 2.700 2.864 2.734 2.988 0.288 19 0 "[ . 1 . 2]" 2
5 1 11 CYS H 1 27 GLN O . . 1.700 1.959 1.906 2.011 0.311 4 0 "[ . 1 . 2]" 2
6 1 11 CYS N 1 27 GLN O . . 2.700 2.741 2.712 2.809 0.109 4 0 "[ . 1 . 2]" 2
7 1 24 ASN O 1 27 GLN H . . 1.700 1.903 1.887 1.923 0.223 17 0 "[ . 1 . 2]" 2
8 1 24 ASN O 1 27 GLN N . . 2.700 2.727 2.711 2.735 0.035 17 0 "[ . 1 . 2]" 2
9 1 22 LYS O 1 30 VAL H . . 1.700 2.068 1.895 2.160 0.460 10 0 "[ . 1 . 2]" 2
10 1 22 LYS O 1 30 VAL N . . 2.700 2.996 2.843 3.077 0.377 16 0 "[ . 1 . 2]" 2
11 1 5 SER H 1 16 LYS O . . 1.700 2.180 2.000 2.209 0.509 4 14 "[ *+*****1-**** * *2]" 2
12 1 5 SER N 1 16 LYS O . . 2.700 2.980 2.755 3.119 0.419 10 0 "[ . 1 . 2]" 2
13 1 24 ASN OD1 1 26 ALA H . . 1.700 1.846 1.792 1.876 0.176 8 0 "[ . 1 . 2]" 2
14 1 24 ASN OD1 1 26 ALA N . . 2.700 2.777 2.744 2.800 0.100 8 0 "[ . 1 . 2]" 2
stop_
save_
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