NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641186 |
6mjv   |
30520 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6mjv
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 427
_Distance_constraint_stats_list.Viol_count 417
_Distance_constraint_stats_list.Viol_total 488.176
_Distance_constraint_stats_list.Viol_max 0.301
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0585
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 CYS 3.105 0.182 16 0 "[ . 1 . 2]"
1 4 TRP 3.745 0.182 16 0 "[ . 1 . 2]"
1 5 ASN 1.323 0.099 8 0 "[ . 1 . 2]"
1 6 GLY 2.232 0.099 8 0 "[ . 1 . 2]"
1 7 GLY 1.416 0.083 15 0 "[ . 1 . 2]"
1 8 ARG 2.515 0.152 11 0 "[ . 1 . 2]"
1 9 CYS 0.372 0.075 18 0 "[ . 1 . 2]"
1 10 ARG 0.814 0.075 18 0 "[ . 1 . 2]"
1 11 LYS 0.091 0.042 17 0 "[ . 1 . 2]"
1 12 LYS 0.048 0.032 3 0 "[ . 1 . 2]"
1 13 CYS 1.219 0.119 7 0 "[ . 1 . 2]"
1 14 LYS 2.955 0.134 11 0 "[ . 1 . 2]"
1 15 GLU 0.941 0.056 6 0 "[ . 1 . 2]"
1 16 ASN 0.751 0.068 18 0 "[ . 1 . 2]"
1 17 GLU 2.562 0.134 11 0 "[ . 1 . 2]"
1 18 LYS 1.881 0.140 5 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ILE 6.157 0.301 2 0 "[ . 1 . 2]"
1 21 GLY 2.625 0.132 11 0 "[ . 1 . 2]"
1 22 TYR 0.046 0.017 1 0 "[ . 1 . 2]"
1 23 CYS 0.161 0.045 13 0 "[ . 1 . 2]"
1 24 ARG 1.134 0.086 8 0 "[ . 1 . 2]"
1 25 ASN 1.811 0.087 12 0 "[ . 1 . 2]"
1 26 GLY 0.063 0.063 2 0 "[ . 1 . 2]"
1 27 LYS 0.826 0.087 12 0 "[ . 1 . 2]"
1 28 LYS 0.856 0.101 4 0 "[ . 1 . 2]"
1 29 CYS 3.512 0.212 11 0 "[ . 1 . 2]"
1 30 CYS 4.795 0.301 2 0 "[ . 1 . 2]"
1 31 VAL 0.081 0.039 12 0 "[ . 1 . 2]"
1 32 ASN 0.742 0.068 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 2 LYS HA 1 2 LYS HE2 4.630 . 5.630 4.628 3.368 5.373 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS HE3 4.630 . 5.630 4.736 3.514 5.508 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QB 1 2 LYS HE2 4.210 . 5.210 3.196 2.238 4.433 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS QB 1 2 LYS HE3 4.210 . 5.210 3.269 2.194 4.358 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS HA 1 29 CYS H 4.650 . 5.650 5.702 5.558 5.772 0.122 4 0 "[ . 1 . 2]" 1
6 1 3 CYS HB2 1 4 TRP H 4.720 . 5.720 2.949 2.756 3.077 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS HB2 1 6 GLY HA2 4.830 . 5.830 5.212 4.977 5.445 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS HB2 1 8 ARG HA 4.680 . 5.680 3.053 2.826 3.592 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS HB3 1 4 TRP HB2 3.610 . 4.610 4.708 4.625 4.792 0.182 16 0 "[ . 1 . 2]" 1
10 1 3 CYS HB3 1 8 ARG HA 4.380 . 5.380 4.064 3.934 4.183 . 0 0 "[ . 1 . 2]" 1
11 1 4 TRP H 1 4 TRP HE1 4.520 . 5.520 4.190 3.982 4.402 . 0 0 "[ . 1 . 2]" 1
12 1 4 TRP H 1 7 GLY HA3 4.650 . 5.650 3.641 3.391 3.951 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP H 1 8 ARG HA 4.570 . 5.570 5.598 5.569 5.638 0.068 15 0 "[ . 1 . 2]" 1
14 1 4 TRP HA 1 4 TRP HD1 4.190 . 5.190 4.136 4.023 4.376 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP HA 1 5 ASN H 4.230 . 5.230 2.447 2.361 2.505 . 0 0 "[ . 1 . 2]" 1
16 1 4 TRP HA 1 5 ASN HB2 4.650 . 5.650 4.880 4.700 5.063 . 0 0 "[ . 1 . 2]" 1
17 1 4 TRP HA 1 31 VAL MG2 4.180 . 5.180 4.042 3.933 4.192 . 0 0 "[ . 1 . 2]" 1
18 1 4 TRP HB2 1 4 TRP HE1 4.550 . 5.550 4.777 4.743 4.808 . 0 0 "[ . 1 . 2]" 1
19 1 4 TRP HB2 1 5 ASN H 4.720 . 5.720 3.104 2.941 3.327 . 0 0 "[ . 1 . 2]" 1
20 1 4 TRP HB2 1 5 ASN HB2 4.270 . 5.270 3.610 3.409 3.899 . 0 0 "[ . 1 . 2]" 1
21 1 4 TRP HB2 1 5 ASN HB3 4.780 . 5.780 5.084 5.002 5.238 . 0 0 "[ . 1 . 2]" 1
22 1 4 TRP HB2 1 20 ILE MD 4.840 . 5.840 3.416 2.719 4.159 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP HB2 1 29 CYS HB3 4.780 . 5.780 5.124 4.903 5.425 . 0 0 "[ . 1 . 2]" 1
24 1 4 TRP HB2 1 31 VAL HB 3.950 . 4.950 4.670 4.571 4.943 . 0 0 "[ . 1 . 2]" 1
25 1 4 TRP HB2 1 31 VAL MG1 4.890 . 5.890 3.831 3.621 4.017 . 0 0 "[ . 1 . 2]" 1
26 1 4 TRP HB2 1 31 VAL MG2 4.890 . 5.890 2.060 1.992 2.174 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP HB3 1 5 ASN H 4.720 . 5.720 2.733 2.597 2.887 . 0 0 "[ . 1 . 2]" 1
28 1 4 TRP HB3 1 20 ILE MD 4.600 . 5.600 4.530 3.902 5.262 . 0 0 "[ . 1 . 2]" 1
29 1 4 TRP HB3 1 31 VAL MG2 4.890 . 5.890 3.470 3.369 3.646 . 0 0 "[ . 1 . 2]" 1
30 1 4 TRP HD1 1 5 ASN HB2 4.590 . 5.590 5.365 5.059 5.490 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP HD1 1 20 ILE MD 4.080 . 5.080 3.154 2.306 4.435 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HD1 1 20 ILE MG 4.500 . 5.500 3.871 2.499 4.925 . 0 0 "[ . 1 . 2]" 1
33 1 4 TRP HD1 1 21 GLY HA2 4.750 . 5.750 5.774 5.579 5.882 0.132 11 0 "[ . 1 . 2]" 1
34 1 4 TRP HD1 1 29 CYS HB2 4.830 . 5.830 3.329 3.048 3.636 . 0 0 "[ . 1 . 2]" 1
35 1 4 TRP HD1 1 29 CYS HB3 4.890 . 5.890 2.449 2.306 2.686 . 0 0 "[ . 1 . 2]" 1
36 1 4 TRP HD1 1 31 VAL MG2 4.300 . 5.300 2.284 2.194 2.425 . 0 0 "[ . 1 . 2]" 1
37 1 4 TRP HE1 1 20 ILE MD 4.660 . 5.660 3.819 2.939 4.649 . 0 0 "[ . 1 . 2]" 1
38 1 4 TRP HE1 1 31 VAL MG2 4.810 . 5.810 4.195 3.951 4.490 . 0 0 "[ . 1 . 2]" 1
39 1 4 TRP HZ2 1 20 ILE MD 4.820 . 5.820 4.966 3.874 5.254 . 0 0 "[ . 1 . 2]" 1
40 1 4 TRP HZ2 1 21 GLY HA2 4.250 . 5.250 3.995 2.698 5.243 . 0 0 "[ . 1 . 2]" 1
41 1 4 TRP HZ2 1 21 GLY HA3 4.640 . 5.640 3.835 2.767 4.806 . 0 0 "[ . 1 . 2]" 1
42 1 5 ASN H 1 5 ASN HB2 4.030 . 5.030 3.431 3.299 3.557 . 0 0 "[ . 1 . 2]" 1
43 1 5 ASN H 1 7 GLY H 4.710 . 5.710 4.259 3.988 4.392 . 0 0 "[ . 1 . 2]" 1
44 1 5 ASN H 1 31 VAL MG2 4.760 . 5.760 3.792 3.558 3.961 . 0 0 "[ . 1 . 2]" 1
45 1 5 ASN HA 1 5 ASN HD22 4.500 . 5.500 4.325 3.809 4.712 . 0 0 "[ . 1 . 2]" 1
46 1 5 ASN HA 1 6 GLY H 4.530 . 5.530 2.888 2.771 2.932 . 0 0 "[ . 1 . 2]" 1
47 1 5 ASN HA 1 6 GLY HA2 3.780 . 4.780 4.816 4.783 4.867 0.087 12 0 "[ . 1 . 2]" 1
48 1 5 ASN HA 1 6 GLY HA3 4.350 . 5.350 4.334 4.310 4.407 . 0 0 "[ . 1 . 2]" 1
49 1 5 ASN HB2 1 6 GLY HA2 4.760 . 5.760 5.769 5.673 5.859 0.099 8 0 "[ . 1 . 2]" 1
50 1 5 ASN HB2 1 20 ILE MG 4.890 . 5.890 5.398 5.155 5.603 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASN HB2 1 31 VAL HA 4.650 . 5.650 3.415 2.622 3.793 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASN HB2 1 31 VAL HB 4.480 . 5.480 4.502 4.141 4.952 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASN HB2 1 31 VAL MG1 4.720 . 5.720 2.327 2.021 2.804 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASN HB3 1 31 VAL HA 4.500 . 5.500 4.779 4.125 5.015 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASN HB3 1 31 VAL MG1 4.810 . 5.810 3.020 2.581 3.611 . 0 0 "[ . 1 . 2]" 1
56 1 5 ASN HB3 1 32 ASN HB2 4.850 . 5.850 5.125 4.240 5.644 . 0 0 "[ . 1 . 2]" 1
57 1 5 ASN HD21 1 20 ILE MD 4.790 . 5.790 4.189 3.263 5.241 . 0 0 "[ . 1 . 2]" 1
58 1 5 ASN HD22 1 20 ILE MD 4.620 . 5.620 4.626 3.876 5.089 . 0 0 "[ . 1 . 2]" 1
59 1 6 GLY H 1 7 GLY H 4.710 . 5.710 2.716 2.544 2.812 . 0 0 "[ . 1 . 2]" 1
60 1 6 GLY HA2 1 7 GLY H 4.500 . 5.500 3.201 2.912 3.325 . 0 0 "[ . 1 . 2]" 1
61 1 6 GLY HA2 1 7 GLY HA2 3.780 . 4.780 4.813 4.697 4.863 0.083 15 0 "[ . 1 . 2]" 1
62 1 6 GLY HA3 1 7 GLY H 4.480 . 5.480 3.341 3.253 3.514 . 0 0 "[ . 1 . 2]" 1
63 1 6 GLY HA3 1 7 GLY HA2 3.930 . 4.930 4.580 4.545 4.629 . 0 0 "[ . 1 . 2]" 1
64 1 7 GLY H 1 8 ARG H 4.710 . 5.710 4.576 4.459 4.662 . 0 0 "[ . 1 . 2]" 1
65 1 7 GLY H 1 31 VAL MG2 4.400 . 5.400 3.507 2.889 3.906 . 0 0 "[ . 1 . 2]" 1
66 1 7 GLY HA2 1 8 ARG H 3.850 . 4.850 2.627 2.511 2.691 . 0 0 "[ . 1 . 2]" 1
67 1 7 GLY HA2 1 8 ARG HB3 4.640 . 5.640 4.447 4.298 4.541 . 0 0 "[ . 1 . 2]" 1
68 1 7 GLY HA2 1 8 ARG HG2 4.190 . 5.190 4.037 3.730 4.518 . 0 0 "[ . 1 . 2]" 1
69 1 7 GLY HA2 1 8 ARG HG3 4.090 . 5.090 4.587 3.782 5.072 . 0 0 "[ . 1 . 2]" 1
70 1 7 GLY HA2 1 17 GLU HG2 4.670 . 5.670 5.641 5.395 5.747 0.077 1 0 "[ . 1 . 2]" 1
71 1 7 GLY HA2 1 31 VAL MG2 4.430 . 5.430 4.589 4.163 4.954 . 0 0 "[ . 1 . 2]" 1
72 1 7 GLY HA2 1 32 ASN H 4.440 . 5.440 2.955 2.612 3.354 . 0 0 "[ . 1 . 2]" 1
73 1 7 GLY HA3 1 8 ARG H 3.960 . 4.960 2.575 2.496 2.722 . 0 0 "[ . 1 . 2]" 1
74 1 7 GLY HA3 1 8 ARG HA 4.640 . 5.640 4.397 4.337 4.512 . 0 0 "[ . 1 . 2]" 1
75 1 7 GLY HA3 1 31 VAL HA 4.440 . 5.440 2.446 2.269 2.751 . 0 0 "[ . 1 . 2]" 1
76 1 7 GLY HA3 1 31 VAL MG2 4.250 . 5.250 3.316 2.909 3.615 . 0 0 "[ . 1 . 2]" 1
77 1 8 ARG H 1 8 ARG HB2 3.840 . 4.840 3.794 3.757 3.832 . 0 0 "[ . 1 . 2]" 1
78 1 8 ARG H 1 8 ARG HB3 3.840 . 4.840 3.262 3.173 3.340 . 0 0 "[ . 1 . 2]" 1
79 1 8 ARG H 1 8 ARG HD2 4.840 . 5.840 4.580 4.139 4.878 . 0 0 "[ . 1 . 2]" 1
80 1 8 ARG H 1 8 ARG HD3 4.690 . 5.690 4.590 3.968 4.859 . 0 0 "[ . 1 . 2]" 1
81 1 8 ARG H 1 8 ARG HG2 4.050 . 5.050 2.720 2.308 3.455 . 0 0 "[ . 1 . 2]" 1
82 1 8 ARG H 1 8 ARG HG3 4.110 . 5.110 2.371 1.918 2.711 . 0 0 "[ . 1 . 2]" 1
83 1 8 ARG H 1 9 CYS HA 4.340 . 5.340 4.865 4.770 4.924 . 0 0 "[ . 1 . 2]" 1
84 1 8 ARG H 1 13 CYS HA 4.560 . 5.560 5.621 5.564 5.679 0.119 7 0 "[ . 1 . 2]" 1
85 1 8 ARG H 1 14 LYS HB3 4.270 . 5.270 4.773 4.497 5.134 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG H 1 29 CYS HA 4.460 . 5.460 4.488 4.218 4.640 . 0 0 "[ . 1 . 2]" 1
87 1 8 ARG H 1 30 CYS H 4.070 . 5.070 3.481 3.287 3.745 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG H 1 30 CYS HB2 4.030 . 5.030 3.542 3.324 3.653 . 0 0 "[ . 1 . 2]" 1
89 1 8 ARG H 1 30 CYS HB3 4.890 . 5.890 4.843 4.644 5.045 . 0 0 "[ . 1 . 2]" 1
90 1 8 ARG H 1 31 VAL HA 4.460 . 5.460 4.315 4.032 4.641 . 0 0 "[ . 1 . 2]" 1
91 1 8 ARG HA 1 9 CYS H 4.400 . 5.400 2.521 2.463 2.566 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG HA 1 9 CYS HB2 4.780 . 5.780 4.503 4.320 4.979 . 0 0 "[ . 1 . 2]" 1
93 1 8 ARG HA 1 30 CYS H 4.360 . 5.360 5.035 4.866 5.216 . 0 0 "[ . 1 . 2]" 1
94 1 8 ARG HB2 1 9 CYS H 3.840 . 4.840 2.178 2.015 2.434 . 0 0 "[ . 1 . 2]" 1
95 1 8 ARG HB2 1 9 CYS HA 4.880 . 5.880 4.508 4.445 4.692 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG HB3 1 9 CYS H 3.840 . 4.840 3.597 3.491 3.824 . 0 0 "[ . 1 . 2]" 1
97 1 8 ARG HD2 1 10 ARG H 4.450 . 5.450 5.216 4.352 5.460 0.010 17 0 "[ . 1 . 2]" 1
98 1 8 ARG HD2 1 10 ARG HB2 3.860 . 4.860 3.264 2.854 3.801 . 0 0 "[ . 1 . 2]" 1
99 1 8 ARG HD2 1 10 ARG HG2 4.240 . 5.240 4.565 3.662 5.015 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG HD2 1 14 LYS H 4.330 . 5.330 3.049 2.366 4.850 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG HD2 1 14 LYS HB3 4.390 . 5.390 3.453 3.047 5.013 . 0 0 "[ . 1 . 2]" 1
102 1 8 ARG HD2 1 14 LYS QD 3.930 . 4.930 3.872 3.593 4.439 . 0 0 "[ . 1 . 2]" 1
103 1 8 ARG HG2 1 9 CYS H 4.050 . 5.050 4.713 4.551 4.895 . 0 0 "[ . 1 . 2]" 1
104 1 8 ARG HG2 1 14 LYS H 4.410 . 5.410 3.870 3.643 4.132 . 0 0 "[ . 1 . 2]" 1
105 1 8 ARG HG3 1 9 CYS H 4.110 . 5.110 3.795 3.490 4.279 . 0 0 "[ . 1 . 2]" 1
106 1 8 ARG HG3 1 9 CYS HA 4.770 . 5.770 4.312 4.024 4.905 . 0 0 "[ . 1 . 2]" 1
107 1 8 ARG HG3 1 13 CYS HA 4.370 . 5.370 4.401 4.258 4.615 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG HG3 1 14 LYS H 4.410 . 5.410 3.596 3.449 3.787 . 0 0 "[ . 1 . 2]" 1
109 1 8 ARG HG3 1 30 CYS HB3 4.040 . 5.040 4.989 4.661 5.192 0.152 11 0 "[ . 1 . 2]" 1
110 1 9 CYS H 1 9 CYS HB2 4.030 . 5.030 2.381 2.294 2.673 . 0 0 "[ . 1 . 2]" 1
111 1 9 CYS H 1 10 ARG H 4.240 . 5.240 4.323 4.287 4.347 . 0 0 "[ . 1 . 2]" 1
112 1 9 CYS H 1 29 CYS HA 4.460 . 5.460 4.577 4.418 4.787 . 0 0 "[ . 1 . 2]" 1
113 1 9 CYS HA 1 10 ARG H 3.660 . 4.660 2.144 2.100 2.165 . 0 0 "[ . 1 . 2]" 1
114 1 9 CYS HA 1 27 LYS HB3 4.770 . 5.770 4.272 4.004 4.452 . 0 0 "[ . 1 . 2]" 1
115 1 9 CYS HA 1 28 LYS H 4.340 . 5.340 4.071 3.822 4.220 . 0 0 "[ . 1 . 2]" 1
116 1 9 CYS HA 1 29 CYS HA 4.100 . 5.100 2.496 2.410 2.658 . 0 0 "[ . 1 . 2]" 1
117 1 9 CYS HA 1 30 CYS H 4.390 . 5.390 3.224 3.094 3.385 . 0 0 "[ . 1 . 2]" 1
118 1 9 CYS HB2 1 10 ARG H 4.790 . 5.790 4.447 4.185 4.541 . 0 0 "[ . 1 . 2]" 1
119 1 9 CYS HB2 1 10 ARG HG2 4.440 . 5.440 5.414 5.247 5.515 0.075 18 0 "[ . 1 . 2]" 1
120 1 9 CYS HB2 1 23 CYS HB2 4.570 . 5.570 4.618 4.005 4.821 . 0 0 "[ . 1 . 2]" 1
121 1 9 CYS HB2 1 27 LYS HD2 4.510 . 5.510 5.188 4.407 5.535 0.025 14 0 "[ . 1 . 2]" 1
122 1 9 CYS HB2 1 29 CYS HA 4.650 . 5.650 4.796 4.560 5.011 . 0 0 "[ . 1 . 2]" 1
123 1 9 CYS HB3 1 10 ARG H 4.410 . 5.410 3.562 3.322 3.700 . 0 0 "[ . 1 . 2]" 1
124 1 9 CYS HB3 1 23 CYS HA 4.710 . 5.710 5.203 4.702 5.431 . 0 0 "[ . 1 . 2]" 1
125 1 9 CYS HB3 1 23 CYS HB2 4.460 . 5.460 3.373 2.385 3.690 . 0 0 "[ . 1 . 2]" 1
126 1 9 CYS HB3 1 23 CYS HB3 4.620 . 5.620 2.975 2.378 3.324 . 0 0 "[ . 1 . 2]" 1
127 1 9 CYS HB3 1 27 LYS HB2 4.100 . 5.100 2.910 2.689 3.089 . 0 0 "[ . 1 . 2]" 1
128 1 9 CYS HB3 1 27 LYS HB3 4.010 . 5.010 3.253 2.669 3.590 . 0 0 "[ . 1 . 2]" 1
129 1 9 CYS HB3 1 27 LYS HD2 4.660 . 5.660 4.077 3.760 4.367 . 0 0 "[ . 1 . 2]" 1
130 1 9 CYS HB3 1 27 LYS HG3 4.590 . 5.590 4.913 4.301 5.097 . 0 0 "[ . 1 . 2]" 1
131 1 9 CYS HB3 1 29 CYS HA 4.160 . 5.160 4.652 4.286 4.792 . 0 0 "[ . 1 . 2]" 1
132 1 10 ARG H 1 10 ARG HG2 4.390 . 5.390 4.222 4.092 4.488 . 0 0 "[ . 1 . 2]" 1
133 1 10 ARG H 1 14 LYS H 4.860 . 5.860 5.877 5.859 5.903 0.043 7 0 "[ . 1 . 2]" 1
134 1 10 ARG H 1 23 CYS HB3 4.450 . 5.450 5.211 4.898 5.495 0.045 13 0 "[ . 1 . 2]" 1
135 1 10 ARG H 1 27 LYS HB2 4.330 . 5.330 4.396 4.140 4.898 . 0 0 "[ . 1 . 2]" 1
136 1 10 ARG H 1 27 LYS HB3 4.420 . 5.420 3.263 3.115 3.382 . 0 0 "[ . 1 . 2]" 1
137 1 10 ARG H 1 27 LYS HD2 4.780 . 5.780 5.474 4.643 5.799 0.019 17 0 "[ . 1 . 2]" 1
138 1 10 ARG H 1 28 LYS H 4.240 . 5.240 2.999 2.813 3.159 . 0 0 "[ . 1 . 2]" 1
139 1 10 ARG H 1 29 CYS HA 4.700 . 5.700 3.974 3.824 4.064 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG H 1 30 CYS HB2 4.790 . 5.790 4.704 4.364 5.006 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG HA 1 27 LYS HB2 4.130 . 5.130 3.901 3.744 4.589 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG HA 1 27 LYS HB3 4.220 . 5.220 2.341 2.249 2.925 . 0 0 "[ . 1 . 2]" 1
143 1 10 ARG HA 1 27 LYS HD2 4.670 . 5.670 3.399 2.300 3.781 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG HA 1 27 LYS HG2 4.670 . 5.670 4.146 3.712 4.761 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG HA 1 28 LYS H 4.750 . 5.750 4.351 4.027 4.578 . 0 0 "[ . 1 . 2]" 1
146 1 10 ARG HB2 1 12 LYS H 4.150 . 5.150 3.243 2.775 3.662 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG HB2 1 13 CYS HA 4.540 . 5.540 4.077 3.773 4.454 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG HB3 1 11 LYS H 4.770 . 5.770 2.792 2.416 3.174 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG HB3 1 11 LYS HA 4.310 . 5.310 4.721 4.618 4.885 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HB3 1 12 LYS H 4.430 . 5.430 2.047 1.893 2.272 . 0 0 "[ . 1 . 2]" 1
151 1 10 ARG HB3 1 13 CYS HA 4.720 . 5.720 4.796 4.218 5.412 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HB3 1 28 LYS H 4.760 . 5.760 5.495 5.294 5.762 0.002 4 0 "[ . 1 . 2]" 1
153 1 11 LYS H 1 11 LYS HG2 4.180 . 5.180 3.242 1.863 4.208 . 0 0 "[ . 1 . 2]" 1
154 1 11 LYS H 1 27 LYS HA 4.530 . 5.530 3.655 2.861 3.999 . 0 0 "[ . 1 . 2]" 1
155 1 11 LYS HA 1 11 LYS QD 4.650 . 5.650 3.729 2.291 4.244 . 0 0 "[ . 1 . 2]" 1
156 1 11 LYS HA 1 11 LYS HG2 4.300 . 5.300 2.473 2.318 3.627 . 0 0 "[ . 1 . 2]" 1
157 1 11 LYS HA 1 12 LYS H 4.660 . 5.660 3.370 3.308 3.437 . 0 0 "[ . 1 . 2]" 1
158 1 11 LYS HA 1 12 LYS HA 3.930 . 4.930 4.542 4.463 4.608 . 0 0 "[ . 1 . 2]" 1
159 1 11 LYS HA 1 27 LYS HA 3.930 . 4.930 2.403 2.284 2.591 . 0 0 "[ . 1 . 2]" 1
160 1 11 LYS HA 1 27 LYS HB2 4.650 . 5.650 5.147 4.974 5.434 . 0 0 "[ . 1 . 2]" 1
161 1 11 LYS HA 1 27 LYS HB3 4.670 . 5.670 3.886 3.617 4.311 . 0 0 "[ . 1 . 2]" 1
162 1 11 LYS HA 1 27 LYS HD3 4.130 . 5.130 4.559 3.047 5.172 0.042 17 0 "[ . 1 . 2]" 1
163 1 11 LYS HA 1 27 LYS HG2 4.840 . 5.840 3.885 3.525 4.510 . 0 0 "[ . 1 . 2]" 1
164 1 11 LYS HA 1 28 LYS H 4.470 . 5.470 3.472 3.127 3.746 . 0 0 "[ . 1 . 2]" 1
165 1 11 LYS HB2 1 12 LYS H 4.200 . 5.200 3.244 2.996 4.132 . 0 0 "[ . 1 . 2]" 1
166 1 11 LYS HB2 1 12 LYS HA 4.670 . 5.670 4.965 4.699 5.433 . 0 0 "[ . 1 . 2]" 1
167 1 11 LYS QD 1 26 GLY HA3 4.360 . 5.360 4.191 3.245 4.812 . 0 0 "[ . 1 . 2]" 1
168 1 11 LYS HG2 1 12 LYS H 4.830 . 5.830 4.900 3.022 5.276 . 0 0 "[ . 1 . 2]" 1
169 1 11 LYS HG2 1 27 LYS HD3 3.900 . 4.900 4.060 2.428 4.705 . 0 0 "[ . 1 . 2]" 1
170 1 11 LYS HG2 1 28 LYS H 4.760 . 5.760 5.161 4.819 5.789 0.029 17 0 "[ . 1 . 2]" 1
171 1 12 LYS H 1 13 CYS H 3.860 . 4.860 4.405 4.375 4.445 . 0 0 "[ . 1 . 2]" 1
172 1 12 LYS H 1 13 CYS HA 4.700 . 5.700 4.806 4.728 4.892 . 0 0 "[ . 1 . 2]" 1
173 1 12 LYS H 1 27 LYS HA 4.080 . 5.080 4.927 4.434 5.112 0.032 3 0 "[ . 1 . 2]" 1
174 1 12 LYS HA 1 12 LYS QD 4.090 . 5.090 4.031 3.620 4.512 . 0 0 "[ . 1 . 2]" 1
175 1 12 LYS HA 1 13 CYS H 4.220 . 5.220 2.504 2.478 2.537 . 0 0 "[ . 1 . 2]" 1
176 1 13 CYS H 1 14 LYS H 4.700 . 5.700 4.366 4.330 4.416 . 0 0 "[ . 1 . 2]" 1
177 1 13 CYS HA 1 14 LYS H 4.010 . 5.010 2.065 2.041 2.091 . 0 0 "[ . 1 . 2]" 1
178 1 13 CYS HA 1 14 LYS HB3 4.890 . 5.890 4.302 4.266 4.383 . 0 0 "[ . 1 . 2]" 1
179 1 13 CYS HA 1 17 GLU HB2 4.490 . 5.490 3.316 3.246 3.412 . 0 0 "[ . 1 . 2]" 1
180 1 13 CYS HA 1 17 GLU HB3 4.340 . 5.340 3.862 3.745 3.957 . 0 0 "[ . 1 . 2]" 1
181 1 13 CYS HA 1 30 CYS H 4.510 . 5.510 4.601 4.518 4.745 . 0 0 "[ . 1 . 2]" 1
182 1 13 CYS HA 1 30 CYS HB2 4.540 . 5.540 2.605 2.469 2.802 . 0 0 "[ . 1 . 2]" 1
183 1 13 CYS HA 1 30 CYS HB3 4.020 . 5.020 2.991 2.736 3.220 . 0 0 "[ . 1 . 2]" 1
184 1 13 CYS HB2 1 14 LYS H 4.370 . 5.370 4.199 4.176 4.224 . 0 0 "[ . 1 . 2]" 1
185 1 13 CYS HB2 1 17 GLU HA 4.380 . 5.380 4.959 4.894 5.054 . 0 0 "[ . 1 . 2]" 1
186 1 13 CYS HB2 1 17 GLU HB2 4.730 . 5.730 3.112 3.088 3.151 . 0 0 "[ . 1 . 2]" 1
187 1 13 CYS HB2 1 17 GLU HB3 4.790 . 5.790 4.025 3.957 4.085 . 0 0 "[ . 1 . 2]" 1
188 1 13 CYS HB2 1 17 GLU HG3 4.870 . 5.870 5.252 5.216 5.297 . 0 0 "[ . 1 . 2]" 1
189 1 13 CYS HB2 1 19 PRO QD 4.820 . 5.820 3.453 3.166 4.269 . 0 0 "[ . 1 . 2]" 1
190 1 13 CYS HB3 1 14 LYS H 3.990 . 4.990 3.409 3.343 3.488 . 0 0 "[ . 1 . 2]" 1
191 1 13 CYS HB3 1 17 GLU H 4.540 . 5.540 3.465 3.282 3.594 . 0 0 "[ . 1 . 2]" 1
192 1 13 CYS HB3 1 17 GLU HB2 3.950 . 4.950 2.092 2.070 2.113 . 0 0 "[ . 1 . 2]" 1
193 1 13 CYS HB3 1 17 GLU HB3 4.530 . 5.530 2.438 2.366 2.491 . 0 0 "[ . 1 . 2]" 1
194 1 13 CYS HB3 1 17 GLU HG2 4.530 . 5.530 4.733 4.711 4.751 . 0 0 "[ . 1 . 2]" 1
195 1 13 CYS HB3 1 17 GLU HG3 4.280 . 5.280 4.308 4.277 4.335 . 0 0 "[ . 1 . 2]" 1
196 1 13 CYS HB3 1 19 PRO HG3 4.850 . 5.850 4.771 4.520 5.253 . 0 0 "[ . 1 . 2]" 1
197 1 13 CYS HB3 1 30 CYS HB3 3.610 . 4.610 2.121 2.090 2.147 . 0 0 "[ . 1 . 2]" 1
198 1 14 LYS H 1 14 LYS QG 4.370 . 5.370 3.939 3.915 3.956 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS H 1 17 GLU H 4.890 . 5.890 4.950 4.755 5.121 . 0 0 "[ . 1 . 2]" 1
200 1 14 LYS H 1 17 GLU HB2 4.210 . 5.210 2.886 2.785 2.980 . 0 0 "[ . 1 . 2]" 1
201 1 14 LYS H 1 17 GLU HB3 4.210 . 5.210 3.709 3.590 3.765 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS H 1 17 GLU HG3 4.410 . 5.410 3.603 3.512 3.684 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS H 1 30 CYS HB2 4.580 . 5.580 3.259 3.099 3.439 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS H 1 30 CYS HB3 4.870 . 5.870 3.957 3.758 4.252 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS HA 1 14 LYS QD 3.930 . 4.930 3.964 3.917 4.018 . 0 0 "[ . 1 . 2]" 1
206 1 14 LYS HA 1 14 LYS QG 3.780 . 4.780 2.617 2.548 2.671 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS HA 1 15 GLU H 4.560 . 5.560 2.403 2.363 2.432 . 0 0 "[ . 1 . 2]" 1
208 1 14 LYS HA 1 17 GLU HG2 4.670 . 5.670 5.756 5.735 5.804 0.134 11 0 "[ . 1 . 2]" 1
209 1 14 LYS HA 1 17 GLU HG3 4.190 . 5.190 4.040 4.022 4.083 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS HB2 1 15 GLU H 4.570 . 5.570 3.585 3.534 3.622 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS HB3 1 14 LYS QE 4.610 . 5.610 3.963 2.304 4.254 . 0 0 "[ . 1 . 2]" 1
212 1 14 LYS HB3 1 15 GLU H 4.210 . 5.210 3.832 3.780 3.857 . 0 0 "[ . 1 . 2]" 1
213 1 14 LYS HB3 1 17 GLU H 4.570 . 5.570 5.147 5.069 5.290 . 0 0 "[ . 1 . 2]" 1
214 1 14 LYS HB3 1 17 GLU HB2 4.300 . 5.300 3.267 3.183 3.390 . 0 0 "[ . 1 . 2]" 1
215 1 14 LYS HB3 1 17 GLU HB3 4.030 . 5.030 3.837 3.760 3.937 . 0 0 "[ . 1 . 2]" 1
216 1 14 LYS HB3 1 17 GLU HG2 3.930 . 4.930 3.796 3.771 3.850 . 0 0 "[ . 1 . 2]" 1
217 1 14 LYS HB3 1 30 CYS HB2 4.610 . 5.610 4.501 4.287 4.630 . 0 0 "[ . 1 . 2]" 1
218 1 14 LYS QG 1 15 GLU H 4.210 . 5.210 1.755 1.744 1.766 0.056 6 0 "[ . 1 . 2]" 1
219 1 14 LYS QG 1 15 GLU QB 3.470 . 4.470 2.575 2.446 2.701 . 0 0 "[ . 1 . 2]" 1
220 1 14 LYS QG 1 15 GLU QG 4.630 . 5.630 3.227 2.567 4.186 . 0 0 "[ . 1 . 2]" 1
221 1 14 LYS QG 1 16 ASN H 4.390 . 5.390 4.825 4.805 4.856 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLU H 1 15 GLU QG 4.340 . 5.340 2.347 1.760 3.488 0.040 2 0 "[ . 1 . 2]" 1
223 1 15 GLU H 1 16 ASN H 4.620 . 5.620 4.307 4.145 4.393 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLU HA 1 16 ASN H 4.050 . 5.050 2.141 2.098 2.206 . 0 0 "[ . 1 . 2]" 1
225 1 15 GLU HA 1 17 GLU H 4.460 . 5.460 4.260 4.117 4.461 . 0 0 "[ . 1 . 2]" 1
226 1 15 GLU QB 1 16 ASN H 4.120 . 5.120 3.581 3.467 3.718 . 0 0 "[ . 1 . 2]" 1
227 1 15 GLU QB 1 16 ASN HA 4.800 . 5.800 4.952 4.838 5.051 . 0 0 "[ . 1 . 2]" 1
228 1 15 GLU QB 1 17 GLU H 4.710 . 5.710 5.160 5.142 5.178 . 0 0 "[ . 1 . 2]" 1
229 1 15 GLU QB 1 32 ASN HD22 4.450 . 5.450 4.760 4.374 4.919 . 0 0 "[ . 1 . 2]" 1
230 1 16 ASN H 1 16 ASN HD22 4.720 . 5.720 4.397 3.372 5.015 . 0 0 "[ . 1 . 2]" 1
231 1 16 ASN H 1 17 GLU H 4.020 . 5.020 2.764 2.663 2.844 . 0 0 "[ . 1 . 2]" 1
232 1 16 ASN H 1 17 GLU HG3 4.800 . 5.800 4.641 4.588 4.699 . 0 0 "[ . 1 . 2]" 1
233 1 16 ASN HA 1 16 ASN HD22 4.890 . 5.890 4.282 3.558 4.799 . 0 0 "[ . 1 . 2]" 1
234 1 16 ASN HA 1 17 GLU H 4.380 . 5.380 2.729 2.669 2.797 . 0 0 "[ . 1 . 2]" 1
235 1 16 ASN HB2 1 16 ASN HD22 4.010 . 5.010 3.822 3.516 4.122 . 0 0 "[ . 1 . 2]" 1
236 1 16 ASN HB2 1 17 GLU H 4.880 . 5.880 4.285 4.235 4.331 . 0 0 "[ . 1 . 2]" 1
237 1 16 ASN HB2 1 17 GLU HG3 3.950 . 4.950 4.852 4.709 4.959 0.009 11 0 "[ . 1 . 2]" 1
238 1 16 ASN HB2 1 32 ASN HA 4.820 . 5.820 5.850 5.728 5.888 0.068 18 0 "[ . 1 . 2]" 1
239 1 16 ASN HB3 1 17 GLU H 4.900 . 5.900 4.471 4.404 4.518 . 0 0 "[ . 1 . 2]" 1
240 1 17 GLU H 1 17 GLU HG2 4.500 . 5.500 3.516 3.438 3.676 . 0 0 "[ . 1 . 2]" 1
241 1 17 GLU H 1 17 GLU HG3 4.270 . 5.270 3.382 3.321 3.449 . 0 0 "[ . 1 . 2]" 1
242 1 17 GLU H 1 30 CYS HB3 4.180 . 5.180 5.166 4.983 5.240 0.060 3 0 "[ . 1 . 2]" 1
243 1 17 GLU HA 1 18 LYS H 3.810 . 4.810 2.170 2.114 2.238 . 0 0 "[ . 1 . 2]" 1
244 1 17 GLU HA 1 18 LYS HD3 4.370 . 5.370 4.026 3.194 5.445 0.075 1 0 "[ . 1 . 2]" 1
245 1 17 GLU HA 1 30 CYS HB3 4.020 . 5.020 4.484 4.310 4.620 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLU HA 1 32 ASN H 4.450 . 5.450 4.822 4.678 4.869 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU HA 1 32 ASN HB2 4.020 . 5.020 4.724 4.354 4.881 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU HA 1 32 ASN HD21 4.800 . 5.800 4.725 2.920 5.599 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU HB2 1 18 LYS H 4.600 . 5.600 4.117 3.975 4.214 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU HB2 1 30 CYS HB2 4.480 . 5.480 3.886 3.547 4.070 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU HB2 1 30 CYS HB3 4.500 . 5.500 3.268 3.187 3.361 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HB3 1 18 LYS H 4.330 . 5.330 2.991 2.772 3.166 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HB3 1 30 CYS HB2 4.480 . 5.480 3.190 2.848 3.453 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLU HB3 1 31 VAL H 4.170 . 5.170 4.721 4.554 4.816 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU HB3 1 32 ASN H 3.910 . 4.910 4.236 4.083 4.430 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLU HG2 1 18 LYS H 4.720 . 5.720 4.165 3.994 4.284 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLU HG2 1 32 ASN HA 4.800 . 5.800 2.303 2.265 2.404 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU HG2 1 32 ASN HB2 4.820 . 5.820 3.586 2.977 3.874 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU HG2 1 32 ASN HB3 4.720 . 5.720 4.440 4.161 4.765 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU HG2 1 32 ASN HD22 4.200 . 5.200 2.871 2.361 3.439 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU HG3 1 30 CYS HB3 4.040 . 5.040 5.001 4.932 5.065 0.025 9 0 "[ . 1 . 2]" 1
262 1 17 GLU HG3 1 32 ASN HA 4.810 . 5.810 3.752 3.679 4.010 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU HG3 1 32 ASN HB2 4.040 . 5.040 4.592 4.113 4.994 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLU HG3 1 32 ASN HD21 4.380 . 5.380 3.648 3.139 4.499 . 0 0 "[ . 1 . 2]" 1
265 1 18 LYS H 1 18 LYS HD2 4.800 . 5.800 3.639 2.002 5.023 . 0 0 "[ . 1 . 2]" 1
266 1 18 LYS H 1 18 LYS HD3 4.760 . 5.760 3.156 2.224 4.547 . 0 0 "[ . 1 . 2]" 1
267 1 18 LYS H 1 18 LYS QG 4.740 . 5.740 3.148 1.841 4.003 . 0 0 "[ . 1 . 2]" 1
268 1 18 LYS H 1 30 CYS HB3 4.580 . 5.580 3.842 3.659 4.093 . 0 0 "[ . 1 . 2]" 1
269 1 18 LYS H 1 32 ASN H 4.710 . 5.710 4.591 4.447 4.844 . 0 0 "[ . 1 . 2]" 1
270 1 18 LYS H 1 32 ASN HA 4.570 . 5.570 2.985 2.641 3.284 . 0 0 "[ . 1 . 2]" 1
271 1 18 LYS HA 1 18 LYS HD2 4.220 . 5.220 2.780 2.292 4.324 . 0 0 "[ . 1 . 2]" 1
272 1 18 LYS HA 1 20 ILE H 4.800 . 5.800 5.890 5.853 5.940 0.140 5 0 "[ . 1 . 2]" 1
273 1 18 LYS QB 1 19 PRO QD 4.370 . 5.370 3.192 2.884 3.584 . 0 0 "[ . 1 . 2]" 1
274 1 18 LYS HD2 1 19 PRO QD 4.540 . 5.540 4.045 3.128 5.040 . 0 0 "[ . 1 . 2]" 1
275 1 19 PRO HA 1 20 ILE H 3.610 . 4.610 2.199 2.142 2.259 . 0 0 "[ . 1 . 2]" 1
276 1 19 PRO HA 1 20 ILE MG 4.730 . 5.730 3.938 3.447 4.577 . 0 0 "[ . 1 . 2]" 1
277 1 19 PRO HA 1 30 CYS H 4.810 . 5.810 4.523 4.406 4.627 . 0 0 "[ . 1 . 2]" 1
278 1 19 PRO HA 1 31 VAL H 4.400 . 5.400 3.976 3.896 4.078 . 0 0 "[ . 1 . 2]" 1
279 1 19 PRO QB 1 20 ILE H 4.460 . 5.460 3.510 3.451 3.575 . 0 0 "[ . 1 . 2]" 1
280 1 19 PRO QB 1 28 LYS HD2 3.470 . 4.470 3.370 2.814 3.759 . 0 0 "[ . 1 . 2]" 1
281 1 20 ILE H 1 20 ILE MD 4.510 . 5.510 4.520 4.381 4.663 . 0 0 "[ . 1 . 2]" 1
282 1 20 ILE H 1 20 ILE HG12 4.210 . 5.210 3.829 3.041 4.809 . 0 0 "[ . 1 . 2]" 1
283 1 20 ILE H 1 20 ILE HG13 3.980 . 4.980 3.945 3.489 4.573 . 0 0 "[ . 1 . 2]" 1
284 1 20 ILE H 1 20 ILE MG 4.150 . 5.150 2.608 2.336 2.912 . 0 0 "[ . 1 . 2]" 1
285 1 20 ILE H 1 21 GLY H 3.860 . 4.860 4.366 4.311 4.422 . 0 0 "[ . 1 . 2]" 1
286 1 20 ILE H 1 29 CYS H 4.800 . 5.800 4.353 4.107 4.643 . 0 0 "[ . 1 . 2]" 1
287 1 20 ILE H 1 29 CYS HB2 4.570 . 5.570 4.499 4.350 4.858 . 0 0 "[ . 1 . 2]" 1
288 1 20 ILE H 1 29 CYS HB3 4.770 . 5.770 4.674 4.553 4.901 . 0 0 "[ . 1 . 2]" 1
289 1 20 ILE H 1 30 CYS HA 4.620 . 5.620 1.790 1.751 1.837 0.049 11 0 "[ . 1 . 2]" 1
290 1 20 ILE H 1 31 VAL H 4.800 . 5.800 2.933 2.852 3.015 . 0 0 "[ . 1 . 2]" 1
291 1 20 ILE H 1 31 VAL MG2 4.550 . 5.550 4.770 4.535 4.980 . 0 0 "[ . 1 . 2]" 1
292 1 20 ILE HA 1 20 ILE MD 4.310 . 5.310 3.801 3.605 3.983 . 0 0 "[ . 1 . 2]" 1
293 1 20 ILE HA 1 21 GLY H 3.930 . 4.930 2.562 2.535 2.585 . 0 0 "[ . 1 . 2]" 1
294 1 20 ILE HA 1 21 GLY HA3 4.470 . 5.470 4.699 4.645 4.754 . 0 0 "[ . 1 . 2]" 1
295 1 20 ILE HB 1 21 GLY H 4.580 . 5.580 2.811 2.072 3.799 . 0 0 "[ . 1 . 2]" 1
296 1 20 ILE MD 1 31 VAL HB 4.790 . 5.790 2.554 2.201 3.527 . 0 0 "[ . 1 . 2]" 1
297 1 20 ILE MD 1 31 VAL MG1 4.040 . 5.040 3.114 2.651 3.913 . 0 0 "[ . 1 . 2]" 1
298 1 20 ILE MD 1 31 VAL MG2 4.040 . 5.040 2.070 1.884 2.257 . 0 0 "[ . 1 . 2]" 1
299 1 20 ILE HG12 1 21 GLY H 4.540 . 5.540 2.976 1.777 3.880 0.023 2 0 "[ . 1 . 2]" 1
300 1 20 ILE HG12 1 21 GLY HA2 4.640 . 5.640 4.765 3.727 5.511 . 0 0 "[ . 1 . 2]" 1
301 1 20 ILE HG12 1 29 CYS HB2 4.790 . 5.790 4.124 3.580 4.801 . 0 0 "[ . 1 . 2]" 1
302 1 20 ILE HG12 1 29 CYS HB3 4.480 . 5.480 4.164 3.225 5.449 . 0 0 "[ . 1 . 2]" 1
303 1 20 ILE HG12 1 30 CYS HA 4.550 . 5.550 4.467 3.372 5.851 0.301 2 0 "[ . 1 . 2]" 1
304 1 20 ILE HG12 1 31 VAL HB 3.640 . 4.640 3.227 2.329 4.247 . 0 0 "[ . 1 . 2]" 1
305 1 20 ILE HG13 1 21 GLY H 4.720 . 5.720 2.518 2.356 2.759 . 0 0 "[ . 1 . 2]" 1
306 1 20 ILE HG13 1 21 GLY HA2 4.560 . 5.560 4.174 3.572 4.988 . 0 0 "[ . 1 . 2]" 1
307 1 20 ILE HG13 1 29 CYS HB2 4.750 . 5.750 3.942 2.485 5.962 0.212 11 0 "[ . 1 . 2]" 1
308 1 20 ILE MG 1 21 GLY H 4.910 . 5.910 3.249 2.515 3.777 . 0 0 "[ . 1 . 2]" 1
309 1 20 ILE MG 1 29 CYS HB2 4.800 . 5.800 3.955 2.316 5.337 . 0 0 "[ . 1 . 2]" 1
310 1 20 ILE MG 1 29 CYS HB3 4.830 . 5.830 3.918 2.444 5.096 . 0 0 "[ . 1 . 2]" 1
311 1 20 ILE MG 1 31 VAL H 4.820 . 5.820 1.902 1.761 1.988 0.039 12 0 "[ . 1 . 2]" 1
312 1 20 ILE MG 1 31 VAL HA 4.670 . 5.670 3.784 3.175 4.267 . 0 0 "[ . 1 . 2]" 1
313 1 20 ILE MG 1 31 VAL HB 4.660 . 5.660 2.088 1.985 2.180 . 0 0 "[ . 1 . 2]" 1
314 1 20 ILE MG 1 31 VAL MG1 4.200 . 5.200 3.286 3.028 3.417 . 0 0 "[ . 1 . 2]" 1
315 1 20 ILE MG 1 31 VAL MG2 4.200 . 5.200 2.513 1.881 3.225 . 0 0 "[ . 1 . 2]" 1
316 1 21 GLY H 1 22 TYR HA 4.780 . 5.780 5.764 5.720 5.797 0.017 1 0 "[ . 1 . 2]" 1
317 1 21 GLY H 1 29 CYS H 4.510 . 5.510 4.697 4.586 4.938 . 0 0 "[ . 1 . 2]" 1
318 1 21 GLY H 1 29 CYS HB2 4.840 . 5.840 4.019 3.811 4.492 . 0 0 "[ . 1 . 2]" 1
319 1 21 GLY H 1 29 CYS HB3 4.860 . 5.860 5.163 4.915 5.463 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLY H 1 30 CYS HA 4.780 . 5.780 5.841 5.768 5.897 0.117 19 0 "[ . 1 . 2]" 1
321 1 21 GLY HA2 1 22 TYR H 4.530 . 5.530 2.635 2.518 2.746 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLY HA2 1 29 CYS H 4.600 . 5.600 4.349 4.266 4.411 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLY HA2 1 29 CYS HB2 4.370 . 5.370 3.911 3.818 3.994 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLY HA3 1 22 TYR H 4.590 . 5.590 2.499 2.394 2.628 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLY HA3 1 22 TYR HB3 4.830 . 5.830 5.451 5.187 5.682 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLY HA3 1 28 LYS QB 4.360 . 5.360 4.667 4.535 4.798 . 0 0 "[ . 1 . 2]" 1
327 1 22 TYR H 1 22 TYR HD1 4.810 . 5.810 4.969 4.352 5.340 . 0 0 "[ . 1 . 2]" 1
328 1 22 TYR H 1 22 TYR HD2 4.810 . 5.810 4.795 4.149 5.254 . 0 0 "[ . 1 . 2]" 1
329 1 22 TYR H 1 23 CYS H 4.630 . 5.630 4.434 4.339 4.467 . 0 0 "[ . 1 . 2]" 1
330 1 22 TYR H 1 23 CYS HA 4.500 . 5.500 4.987 4.892 5.047 . 0 0 "[ . 1 . 2]" 1
331 1 22 TYR HA 1 22 TYR HD1 4.020 . 5.020 3.474 3.061 3.766 . 0 0 "[ . 1 . 2]" 1
332 1 22 TYR HA 1 22 TYR HD2 4.020 . 5.020 3.230 3.014 3.685 . 0 0 "[ . 1 . 2]" 1
333 1 22 TYR HA 1 22 TYR QE 4.690 . 5.690 4.413 4.322 4.536 . 0 0 "[ . 1 . 2]" 1
334 1 22 TYR HA 1 23 CYS H 3.700 . 4.700 2.305 2.152 2.366 . 0 0 "[ . 1 . 2]" 1
335 1 22 TYR HA 1 28 LYS HA 4.300 . 5.300 2.337 2.241 2.384 . 0 0 "[ . 1 . 2]" 1
336 1 22 TYR HA 1 29 CYS H 4.060 . 5.060 3.212 3.103 3.356 . 0 0 "[ . 1 . 2]" 1
337 1 22 TYR HB2 1 22 TYR HD1 3.790 . 4.790 3.310 2.399 3.718 . 0 0 "[ . 1 . 2]" 1
338 1 22 TYR HB2 1 22 TYR HD2 3.790 . 4.790 2.813 2.404 3.718 . 0 0 "[ . 1 . 2]" 1
339 1 22 TYR HB2 1 22 TYR QE 4.320 . 5.320 4.437 4.419 4.466 . 0 0 "[ . 1 . 2]" 1
340 1 22 TYR HB2 1 23 CYS H 4.120 . 5.120 4.109 4.009 4.340 . 0 0 "[ . 1 . 2]" 1
341 1 22 TYR HB2 1 28 LYS HA 4.570 . 5.570 5.013 4.916 5.127 . 0 0 "[ . 1 . 2]" 1
342 1 22 TYR HB3 1 22 TYR QE 4.400 . 5.400 4.456 4.438 4.476 . 0 0 "[ . 1 . 2]" 1
343 1 22 TYR HB3 1 23 CYS H 4.460 . 5.460 3.367 3.082 3.661 . 0 0 "[ . 1 . 2]" 1
344 1 22 TYR HB3 1 23 CYS HA 4.710 . 5.710 4.384 4.175 4.540 . 0 0 "[ . 1 . 2]" 1
345 1 22 TYR HD1 1 23 CYS H 4.640 . 5.640 3.119 2.206 4.866 . 0 0 "[ . 1 . 2]" 1
346 1 22 TYR HD1 1 28 LYS HA 4.150 . 5.150 5.057 4.927 5.101 . 0 0 "[ . 1 . 2]" 1
347 1 22 TYR HD1 1 28 LYS HG2 4.550 . 5.550 4.901 3.547 5.550 . 1 0 "[ . 1 . 2]" 1
348 1 22 TYR HD2 1 23 CYS H 4.640 . 5.640 3.900 2.312 4.841 . 0 0 "[ . 1 . 2]" 1
349 1 22 TYR HD2 1 28 LYS HA 4.150 . 5.150 5.032 4.912 5.118 . 0 0 "[ . 1 . 2]" 1
350 1 22 TYR HD2 1 28 LYS HG2 4.550 . 5.550 4.440 3.527 5.528 . 0 0 "[ . 1 . 2]" 1
351 1 22 TYR QE 1 26 GLY HA2 4.550 . 5.550 4.240 3.510 4.688 . 0 0 "[ . 1 . 2]" 1
352 1 22 TYR QE 1 28 LYS HG2 4.400 . 5.400 4.194 4.014 4.544 . 0 0 "[ . 1 . 2]" 1
353 1 23 CYS H 1 23 CYS HB2 3.990 . 4.990 2.869 2.648 2.942 . 0 0 "[ . 1 . 2]" 1
354 1 23 CYS H 1 27 LYS H 4.710 . 5.710 4.976 3.674 5.206 . 0 0 "[ . 1 . 2]" 1
355 1 23 CYS H 1 28 LYS HA 4.240 . 5.240 2.706 2.186 2.939 . 0 0 "[ . 1 . 2]" 1
356 1 23 CYS H 1 29 CYS H 4.600 . 5.600 4.533 4.104 4.735 . 0 0 "[ . 1 . 2]" 1
357 1 23 CYS HB2 1 27 LYS H 4.220 . 5.220 5.011 4.024 5.259 0.039 12 0 "[ . 1 . 2]" 1
358 1 23 CYS HB2 1 27 LYS HB2 4.390 . 5.390 3.347 2.321 3.637 . 0 0 "[ . 1 . 2]" 1
359 1 23 CYS HB3 1 27 LYS HD2 4.390 . 5.390 4.716 4.423 5.148 . 0 0 "[ . 1 . 2]" 1
360 1 23 CYS HB3 1 27 LYS HG3 4.160 . 5.160 3.987 3.763 4.190 . 0 0 "[ . 1 . 2]" 1
361 1 23 CYS HB3 1 28 LYS H 4.720 . 5.720 4.312 4.071 4.954 . 0 0 "[ . 1 . 2]" 1
362 1 24 ARG H 1 26 GLY H 4.720 . 5.720 5.386 5.300 5.470 . 0 0 "[ . 1 . 2]" 1
363 1 24 ARG HA 1 24 ARG HD2 4.600 . 5.600 4.285 2.308 5.493 . 0 0 "[ . 1 . 2]" 1
364 1 24 ARG HA 1 24 ARG HD3 4.160 . 5.160 4.415 3.161 4.843 . 0 0 "[ . 1 . 2]" 1
365 1 24 ARG HA 1 25 ASN HB3 4.790 . 5.790 5.839 5.639 5.876 0.086 8 0 "[ . 1 . 2]" 1
366 1 24 ARG QB 1 25 ASN HA 4.370 . 5.370 4.319 4.260 4.458 . 0 0 "[ . 1 . 2]" 1
367 1 25 ASN HA 1 26 GLY H 4.420 . 5.420 2.662 2.625 2.701 . 0 0 "[ . 1 . 2]" 1
368 1 25 ASN HA 1 27 LYS HG2 4.560 . 5.560 5.468 4.712 5.647 0.087 12 0 "[ . 1 . 2]" 1
369 1 25 ASN HA 1 27 LYS HG3 4.640 . 5.640 4.937 4.689 5.345 . 0 0 "[ . 1 . 2]" 1
370 1 25 ASN HB2 1 26 GLY HA3 4.680 . 5.680 5.180 4.770 5.743 0.063 2 0 "[ . 1 . 2]" 1
371 1 25 ASN HB2 1 27 LYS QE 3.480 . 4.480 2.867 2.301 3.657 . 0 0 "[ . 1 . 2]" 1
372 1 25 ASN HB3 1 26 GLY HA3 4.760 . 5.760 4.808 4.622 5.112 . 0 0 "[ . 1 . 2]" 1
373 1 25 ASN HB3 1 27 LYS H 4.240 . 5.240 4.559 3.902 5.146 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLY H 1 27 LYS H 4.170 . 5.170 2.862 2.617 2.936 . 0 0 "[ . 1 . 2]" 1
375 1 26 GLY HA2 1 27 LYS H 4.410 . 5.410 3.443 2.875 3.518 . 0 0 "[ . 1 . 2]" 1
376 1 26 GLY HA3 1 27 LYS H 4.470 . 5.470 3.064 2.986 3.529 . 0 0 "[ . 1 . 2]" 1
377 1 26 GLY HA3 1 27 LYS QE 4.760 . 5.760 5.178 4.915 5.241 . 0 0 "[ . 1 . 2]" 1
378 1 27 LYS H 1 27 LYS HB2 3.870 . 4.870 2.894 2.592 3.011 . 0 0 "[ . 1 . 2]" 1
379 1 27 LYS H 1 27 LYS HB3 4.170 . 5.170 3.570 3.526 3.745 . 0 0 "[ . 1 . 2]" 1
380 1 27 LYS H 1 27 LYS HD2 4.140 . 5.140 4.369 4.188 5.121 . 0 0 "[ . 1 . 2]" 1
381 1 27 LYS H 1 27 LYS HD3 4.470 . 5.470 4.423 4.295 4.668 . 0 0 "[ . 1 . 2]" 1
382 1 27 LYS H 1 27 LYS QE 4.350 . 5.350 3.892 3.759 4.515 . 0 0 "[ . 1 . 2]" 1
383 1 27 LYS H 1 27 LYS HG2 4.560 . 5.560 2.242 1.993 2.579 . 0 0 "[ . 1 . 2]" 1
384 1 27 LYS H 1 27 LYS HG3 4.760 . 5.760 2.153 1.868 3.474 . 0 0 "[ . 1 . 2]" 1
385 1 27 LYS H 1 28 LYS H 4.900 . 5.900 4.575 4.524 4.605 . 0 0 "[ . 1 . 2]" 1
386 1 27 LYS HA 1 27 LYS HD3 4.300 . 5.300 3.870 2.638 4.162 . 0 0 "[ . 1 . 2]" 1
387 1 27 LYS HA 1 28 LYS H 3.780 . 4.780 2.183 2.103 2.367 . 0 0 "[ . 1 . 2]" 1
388 1 27 LYS HB2 1 28 LYS H 3.840 . 4.840 3.707 3.561 3.932 . 0 0 "[ . 1 . 2]" 1
389 1 27 LYS HB2 1 28 LYS HA 4.640 . 5.640 4.671 4.412 4.823 . 0 0 "[ . 1 . 2]" 1
390 1 27 LYS HB3 1 28 LYS H 3.930 . 4.930 3.067 2.726 3.207 . 0 0 "[ . 1 . 2]" 1
391 1 27 LYS HD3 1 28 LYS H 4.800 . 5.800 5.190 4.097 5.429 . 0 0 "[ . 1 . 2]" 1
392 1 27 LYS HG3 1 28 LYS H 4.760 . 5.760 5.300 5.231 5.425 . 0 0 "[ . 1 . 2]" 1
393 1 28 LYS H 1 28 LYS HD2 4.270 . 5.270 4.551 4.290 5.052 . 0 0 "[ . 1 . 2]" 1
394 1 28 LYS H 1 28 LYS HG2 4.620 . 5.620 3.462 2.917 3.896 . 0 0 "[ . 1 . 2]" 1
395 1 28 LYS H 1 29 CYS H 4.660 . 5.660 4.501 4.466 4.533 . 0 0 "[ . 1 . 2]" 1
396 1 28 LYS HA 1 28 LYS HD2 3.780 . 4.780 4.606 4.324 4.740 . 0 0 "[ . 1 . 2]" 1
397 1 28 LYS HA 1 29 CYS H 3.710 . 4.710 2.457 2.348 2.513 . 0 0 "[ . 1 . 2]" 1
398 1 28 LYS QB 1 29 CYS H 4.590 . 5.590 2.591 2.481 2.803 . 0 0 "[ . 1 . 2]" 1
399 1 28 LYS QB 1 29 CYS HA 4.840 . 5.840 4.273 4.204 4.340 . 0 0 "[ . 1 . 2]" 1
400 1 28 LYS HD2 1 29 CYS H 4.390 . 5.390 5.404 5.099 5.491 0.101 4 0 "[ . 1 . 2]" 1
401 1 29 CYS H 1 29 CYS HB2 4.020 . 5.020 2.346 2.257 2.442 . 0 0 "[ . 1 . 2]" 1
402 1 29 CYS H 1 29 CYS HB3 4.050 . 5.050 3.602 3.554 3.653 . 0 0 "[ . 1 . 2]" 1
403 1 29 CYS H 1 30 CYS H 4.870 . 5.870 4.314 4.236 4.407 . 0 0 "[ . 1 . 2]" 1
404 1 29 CYS HA 1 30 CYS H 3.670 . 4.670 2.149 2.068 2.232 . 0 0 "[ . 1 . 2]" 1
405 1 29 CYS HA 1 30 CYS HB2 4.650 . 5.650 4.584 4.405 4.725 . 0 0 "[ . 1 . 2]" 1
406 1 29 CYS HB2 1 30 CYS H 4.900 . 5.900 4.455 4.411 4.486 . 0 0 "[ . 1 . 2]" 1
407 1 29 CYS HB3 1 30 CYS H 4.710 . 5.710 3.684 3.651 3.757 . 0 0 "[ . 1 . 2]" 1
408 1 30 CYS H 1 30 CYS HB2 4.180 . 5.180 2.451 2.355 2.539 . 0 0 "[ . 1 . 2]" 1
409 1 30 CYS H 1 30 CYS HB3 3.920 . 4.920 3.629 3.579 3.664 . 0 0 "[ . 1 . 2]" 1
410 1 30 CYS H 1 31 VAL H 4.890 . 5.890 4.304 4.253 4.391 . 0 0 "[ . 1 . 2]" 1
411 1 30 CYS HA 1 31 VAL H 3.630 . 4.630 2.134 2.101 2.181 . 0 0 "[ . 1 . 2]" 1
412 1 30 CYS HA 1 31 VAL MG2 4.550 . 5.550 4.441 4.202 4.592 . 0 0 "[ . 1 . 2]" 1
413 1 30 CYS HB2 1 31 VAL H 4.460 . 5.460 4.377 4.269 4.449 . 0 0 "[ . 1 . 2]" 1
414 1 30 CYS HB3 1 31 VAL H 4.730 . 5.730 3.619 3.436 3.749 . 0 0 "[ . 1 . 2]" 1
415 1 30 CYS HB3 1 32 ASN H 4.430 . 5.430 5.213 5.112 5.306 . 0 0 "[ . 1 . 2]" 1
416 1 30 CYS HB3 1 32 ASN HA 4.680 . 5.680 4.775 4.692 4.874 . 0 0 "[ . 1 . 2]" 1
417 1 31 VAL H 1 31 VAL HB 4.170 . 5.170 2.163 2.125 2.243 . 0 0 "[ . 1 . 2]" 1
418 1 31 VAL H 1 31 VAL MG1 4.450 . 5.450 3.538 3.458 3.672 . 0 0 "[ . 1 . 2]" 1
419 1 31 VAL H 1 31 VAL MG2 4.450 . 5.450 2.998 2.731 3.163 . 0 0 "[ . 1 . 2]" 1
420 1 31 VAL H 1 32 ASN H 4.870 . 5.870 4.385 4.359 4.408 . 0 0 "[ . 1 . 2]" 1
421 1 31 VAL HA 1 32 ASN H 3.670 . 4.670 2.053 2.026 2.094 . 0 0 "[ . 1 . 2]" 1
422 1 31 VAL HA 1 32 ASN HB3 4.160 . 5.160 4.782 4.656 4.955 . 0 0 "[ . 1 . 2]" 1
423 1 31 VAL HB 1 32 ASN H 3.910 . 4.910 4.451 4.370 4.507 . 0 0 "[ . 1 . 2]" 1
424 1 31 VAL MG1 1 32 ASN H 4.230 . 5.230 2.950 2.757 3.068 . 0 0 "[ . 1 . 2]" 1
425 1 31 VAL MG2 1 32 ASN H 4.230 . 5.230 3.627 3.466 3.845 . 0 0 "[ . 1 . 2]" 1
426 1 32 ASN HA 1 32 ASN HD21 4.670 . 5.670 3.401 2.324 4.132 . 0 0 "[ . 1 . 2]" 1
427 1 32 ASN HA 1 32 ASN HD22 4.500 . 5.500 3.922 3.309 4.354 . 0 0 "[ . 1 . 2]" 1
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