NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
576526 |
2m8v   |
19275 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8v
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 301
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 220.415
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0293
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.084 0.046 20 0 "[ . 1 . 2]"
1 4 GLY 0.084 0.046 20 0 "[ . 1 . 2]"
1 5 TRP 0.138 0.066 8 0 "[ . 1 . 2]"
1 6 ILE 0.148 0.045 8 0 "[ . 1 . 2]"
1 7 LYS 0.170 0.066 8 0 "[ . 1 . 2]"
1 9 LEU 0.102 0.031 9 0 "[ . 1 . 2]"
1 11 LYS 0.248 0.082 19 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.147 0.051 8 0 "[ . 1 . 2]"
1 14 PRO 0.789 0.124 2 0 "[ . 1 . 2]"
1 15 ASN 1.297 0.124 2 0 "[ . 1 . 2]"
1 16 VAL 0.952 0.092 12 0 "[ . 1 . 2]"
1 17 ILE 1.176 0.074 10 0 "[ . 1 . 2]"
1 18 SER 0.866 0.074 10 0 "[ . 1 . 2]"
1 19 SER 0.807 0.071 12 0 "[ . 1 . 2]"
1 20 ILE 3.018 0.170 1 0 "[ . 1 . 2]"
1 21 CYS 3.091 0.170 1 0 "[ . 1 . 2]"
1 22 ALA 1.377 0.088 2 0 "[ . 1 . 2]"
1 23 GLY 0.296 0.053 20 0 "[ . 1 . 2]"
1 24 THR 0.225 0.053 20 0 "[ . 1 . 2]"
1 25 ILE 0.117 0.034 3 0 "[ . 1 . 2]"
1 26 ILE 0.255 0.069 3 0 "[ . 1 . 2]"
1 27 THR 0.585 0.163 9 0 "[ . 1 . 2]"
1 28 ALA 0.814 0.163 9 0 "[ . 1 . 2]"
1 29 CYS 1.877 0.098 20 0 "[ . 1 . 2]"
1 30 LYS 1.020 0.080 2 0 "[ . 1 . 2]"
1 31 ASN 0.898 0.080 2 0 "[ . 1 . 2]"
1 32 CYS 0.461 0.082 19 0 "[ . 1 . 2]"
1 33 ALA 0.000 0.000 . 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 ASP HA 1 3 ARG H 3.330 . 4.860 2.616 2.156 3.566 . 0 0 "[ . 1 . 2]" 1
2 1 3 ARG HA 1 3 ARG QG 3.510 . 5.220 2.441 2.003 3.398 . 0 0 "[ . 1 . 2]" 1
3 1 3 ARG HA 1 4 GLY H 2.990 . 4.180 2.521 2.144 3.568 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG HA 1 4 GLY QA 2.990 . 4.180 3.997 3.893 4.226 0.046 20 0 "[ . 1 . 2]" 1
5 1 4 GLY H 1 5 TRP H 3.650 . 5.500 3.417 2.014 4.611 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLY QA 1 5 TRP H 2.920 . 4.040 2.315 2.117 2.760 . 0 0 "[ . 1 . 2]" 1
7 1 5 TRP H 1 5 TRP HB2 3.310 . 4.820 2.890 2.150 3.790 . 0 0 "[ . 1 . 2]" 1
8 1 5 TRP H 1 5 TRP HB3 3.410 . 5.020 3.034 2.666 3.757 . 0 0 "[ . 1 . 2]" 1
9 1 5 TRP H 1 5 TRP HD1 3.650 . 5.500 4.921 3.544 5.498 . 0 0 "[ . 1 . 2]" 1
10 1 5 TRP HA 1 5 TRP HD1 3.470 . 5.140 3.380 2.301 4.516 . 0 0 "[ . 1 . 2]" 1
11 1 5 TRP HA 1 5 TRP HE3 3.630 . 5.460 4.243 3.190 5.241 . 0 0 "[ . 1 . 2]" 1
12 1 5 TRP HA 1 6 ILE H 2.790 . 3.780 2.605 2.141 3.571 . 0 0 "[ . 1 . 2]" 1
13 1 5 TRP HB2 1 5 TRP HD1 3.650 . 5.500 3.616 2.622 3.895 . 0 0 "[ . 1 . 2]" 1
14 1 5 TRP HB2 1 5 TRP HE3 3.570 . 5.180 2.832 2.400 4.153 . 0 0 "[ . 1 . 2]" 1
15 1 5 TRP HB2 1 6 ILE H 3.460 . 5.120 3.673 1.974 4.429 . 0 0 "[ . 1 . 2]" 1
16 1 5 TRP HB3 1 5 TRP HD1 3.650 . 5.460 3.167 2.618 3.894 . 0 0 "[ . 1 . 2]" 1
17 1 5 TRP HB3 1 5 TRP HE3 3.510 . 5.220 3.501 2.403 4.160 . 0 0 "[ . 1 . 2]" 1
18 1 5 TRP HB3 1 6 ILE H 3.640 . 5.480 3.195 1.924 4.284 . 0 0 "[ . 1 . 2]" 1
19 1 5 TRP HD1 1 6 ILE HB 3.490 . 5.180 4.546 3.538 5.213 0.033 4 0 "[ . 1 . 2]" 1
20 1 5 TRP HD1 1 7 LYS HA 3.650 . 5.500 4.572 3.599 5.566 0.066 8 0 "[ . 1 . 2]" 1
21 1 6 ILE H 1 6 ILE HB 3.050 . 4.300 3.115 2.423 3.714 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE H 1 6 ILE MD 3.580 . 5.360 3.568 2.109 4.766 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 6 ILE HG12 3.650 . 5.500 3.760 1.986 5.177 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE H 1 6 ILE HG13 3.360 . 4.920 3.211 1.983 4.629 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE H 1 6 ILE MG 3.650 . 5.500 3.145 2.018 4.004 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 6 ILE MD 3.070 . 4.340 2.360 1.927 2.981 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE HA 1 6 ILE HG12 3.480 . 5.160 3.339 2.333 4.144 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HA 1 6 ILE HG13 3.420 . 5.040 2.942 2.287 3.746 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HA 1 6 ILE MG 3.200 . 4.600 2.556 2.186 3.207 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE HA 1 7 LYS H 2.590 . 3.380 2.339 2.137 3.425 0.045 8 0 "[ . 1 . 2]" 1
31 1 6 ILE HB 1 6 ILE HG13 2.860 . 3.840 2.724 2.380 3.025 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE HG13 1 7 LYS H 3.650 . 5.500 4.180 2.210 5.505 0.005 13 0 "[ . 1 . 2]" 1
33 1 6 ILE MG 1 7 LYS H 3.540 . 5.280 3.285 1.917 4.193 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE MG 1 9 LEU HG 3.230 . 4.660 4.005 2.348 4.668 0.008 13 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 7 LYS QB 2.750 . 3.700 2.866 2.078 3.257 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 7 LYS HG2 2.900 . 4.000 2.600 1.991 4.017 0.017 8 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 7 LYS HG3 3.430 . 5.060 3.632 2.521 4.730 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS HA 1 7 LYS HG3 3.070 . 4.340 3.872 2.987 4.205 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS HD3 1 7 LYS HG2 2.350 . 2.900 2.494 2.242 2.842 . 0 0 "[ . 1 . 2]" 1
40 1 7 LYS QE 1 7 LYS HG2 2.830 . 3.860 2.507 2.009 3.371 . 0 0 "[ . 1 . 2]" 1
41 1 9 LEU H 1 9 LEU HA 2.920 . 4.040 2.849 2.773 2.914 . 0 0 "[ . 1 . 2]" 1
42 1 9 LEU H 1 9 LEU HB2 3.300 . 4.800 3.359 2.663 3.665 . 0 0 "[ . 1 . 2]" 1
43 1 9 LEU H 1 9 LEU HB3 2.920 . 4.040 2.438 2.223 3.169 . 0 0 "[ . 1 . 2]" 1
44 1 9 LEU H 1 13 CYS HB2 3.650 . 5.500 4.928 4.652 5.378 . 0 0 "[ . 1 . 2]" 1
45 1 9 LEU H 1 13 CYS HB3 3.530 . 5.260 4.920 4.701 5.110 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU HA 1 9 LEU HB3 2.960 . 4.120 2.510 2.304 2.997 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU HA 1 9 LEU MD1 3.470 . 5.140 3.637 2.119 4.107 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU HA 1 9 LEU QD 3.230 . 4.660 3.168 2.106 3.451 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU HA 1 9 LEU MD2 3.310 . 4.820 3.558 3.321 3.941 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU HB2 1 9 LEU MD1 3.250 . 4.700 2.509 2.019 3.194 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU HB2 1 9 LEU QD 2.660 . 3.520 2.135 1.983 2.496 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU HB2 1 9 LEU MD2 3.420 . 5.040 2.746 2.019 3.196 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU QD 1 13 CYS HB2 3.590 . 5.380 4.508 3.859 5.395 0.015 6 0 "[ . 1 . 2]" 1
54 1 9 LEU MD1 1 9 LEU HG 2.270 . 2.740 2.104 2.078 2.126 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU MD2 1 11 LYS H 3.650 . 5.500 4.750 3.173 5.531 0.031 9 0 "[ . 1 . 2]" 1
56 1 11 LYS H 1 11 LYS QB 3.130 . 4.460 2.451 2.135 2.664 . 0 0 "[ . 1 . 2]" 1
57 1 11 LYS H 1 11 LYS QD 3.650 . 5.500 3.661 2.343 4.601 . 0 0 "[ . 1 . 2]" 1
58 1 11 LYS H 1 11 LYS QG 3.450 . 5.100 2.360 1.980 3.470 . 0 0 "[ . 1 . 2]" 1
59 1 11 LYS H 1 12 ASP H 3.520 . 5.240 2.630 2.426 2.805 . 0 0 "[ . 1 . 2]" 1
60 1 11 LYS H 1 32 CYS HB2 3.650 . 5.500 4.821 4.158 5.582 0.082 19 0 "[ . 1 . 2]" 1
61 1 11 LYS H 1 32 CYS HB3 3.650 . 5.500 4.146 2.742 5.532 0.032 18 0 "[ . 1 . 2]" 1
62 1 11 LYS HA 1 11 LYS QG 3.260 . 4.140 2.633 2.175 3.372 . 0 0 "[ . 1 . 2]" 1
63 1 11 LYS HA 1 12 ASP H 3.020 . 4.240 3.395 3.342 3.454 . 0 0 "[ . 1 . 2]" 1
64 1 11 LYS QB 1 12 ASP H 3.650 . 5.500 3.299 2.988 3.806 . 0 0 "[ . 1 . 2]" 1
65 1 11 LYS HD3 1 11 LYS HE2 2.820 . 3.840 2.343 2.220 2.948 . 0 0 "[ . 1 . 2]" 1
66 1 11 LYS HE2 1 11 LYS HG2 3.330 . 4.860 2.577 2.073 3.136 . 0 0 "[ . 1 . 2]" 1
67 1 11 LYS QG 1 12 ASP H 3.650 . 5.500 3.907 2.330 4.778 . 0 0 "[ . 1 . 2]" 1
68 1 12 ASP H 1 12 ASP HA 2.920 . 4.040 2.897 2.803 2.940 . 0 0 "[ . 1 . 2]" 1
69 1 12 ASP H 1 12 ASP HB2 3.200 . 4.600 2.315 2.100 3.654 . 0 0 "[ . 1 . 2]" 1
70 1 12 ASP H 1 12 ASP HB3 3.280 . 4.760 3.290 2.562 3.580 . 0 0 "[ . 1 . 2]" 1
71 1 12 ASP H 1 13 CYS H 3.030 . 4.260 2.803 2.243 3.006 . 0 0 "[ . 1 . 2]" 1
72 1 12 ASP HA 1 12 ASP HB2 2.560 . 3.320 2.537 2.321 2.669 . 0 0 "[ . 1 . 2]" 1
73 1 12 ASP HA 1 13 CYS H 3.390 . 4.980 3.053 2.963 3.430 . 0 0 "[ . 1 . 2]" 1
74 1 12 ASP HB2 1 13 CYS H 2.890 . 3.980 2.553 2.181 3.157 . 0 0 "[ . 1 . 2]" 1
75 1 13 CYS H 1 13 CYS HB3 3.390 . 4.980 3.708 3.494 3.969 . 0 0 "[ . 1 . 2]" 1
76 1 13 CYS H 1 14 PRO HD2 3.650 . 5.500 4.911 4.113 5.471 . 0 0 "[ . 1 . 2]" 1
77 1 13 CYS H 1 14 PRO HD3 3.650 . 5.500 3.731 2.687 4.731 . 0 0 "[ . 1 . 2]" 1
78 1 13 CYS HA 1 13 CYS HB2 2.910 . 4.020 3.010 2.950 3.026 . 0 0 "[ . 1 . 2]" 1
79 1 13 CYS HA 1 13 CYS HB3 2.880 . 3.960 2.492 2.268 2.678 . 0 0 "[ . 1 . 2]" 1
80 1 13 CYS HA 1 14 PRO HD2 2.850 . 3.900 2.612 2.336 2.984 . 0 0 "[ . 1 . 2]" 1
81 1 13 CYS HA 1 14 PRO HD3 2.970 . 4.140 2.149 1.799 2.673 0.001 9 0 "[ . 1 . 2]" 1
82 1 13 CYS HB2 1 14 PRO HA 3.650 . 5.500 5.237 4.774 5.551 0.051 8 0 "[ . 1 . 2]" 1
83 1 13 CYS HB2 1 16 VAL QG 3.220 . 4.640 3.359 2.169 4.647 0.007 18 0 "[ . 1 . 2]" 1
84 1 13 CYS HB3 1 14 PRO HA 3.650 . 5.500 5.177 4.748 5.522 0.022 20 0 "[ . 1 . 2]" 1
85 1 13 CYS HB3 1 16 VAL HB 3.650 . 5.500 4.380 1.945 5.507 0.007 19 0 "[ . 1 . 2]" 1
86 1 13 CYS HB3 1 16 VAL QG 3.030 . 4.260 2.897 1.877 3.835 . 0 0 "[ . 1 . 2]" 1
87 1 14 PRO HA 1 14 PRO HB3 2.550 . 3.300 2.277 2.257 2.305 . 0 0 "[ . 1 . 2]" 1
88 1 14 PRO HA 1 14 PRO HD3 3.200 . 4.600 3.860 3.583 4.015 . 0 0 "[ . 1 . 2]" 1
89 1 14 PRO HA 1 14 PRO HG2 3.040 . 4.280 4.013 3.908 4.098 . 0 0 "[ . 1 . 2]" 1
90 1 14 PRO HA 1 15 ASN H 2.600 . 3.400 3.264 2.685 3.524 0.124 2 0 "[ . 1 . 2]" 1
91 1 14 PRO HB2 1 14 PRO HD2 2.700 . 3.600 3.112 2.944 3.621 0.021 5 0 "[ . 1 . 2]" 1
92 1 14 PRO HB2 1 14 PRO HD2 2.900 . 4.000 2.696 2.644 2.803 . 0 0 "[ . 1 . 2]" 1
93 1 14 PRO HB2 1 14 PRO HD3 2.770 . 3.740 2.290 2.252 2.306 . 0 0 "[ . 1 . 2]" 1
94 1 14 PRO HB2 1 15 ASN H 3.090 . 4.380 3.506 2.004 4.311 . 0 0 "[ . 1 . 2]" 1
95 1 14 PRO HB3 1 14 PRO HD2 3.340 . 4.880 3.901 3.876 3.947 . 0 0 "[ . 1 . 2]" 1
96 1 14 PRO HB3 1 14 PRO HD3 3.650 . 5.260 3.966 3.638 4.053 . 0 0 "[ . 1 . 2]" 1
97 1 14 PRO HB3 1 14 PRO HG2 2.510 . 3.220 2.735 2.664 2.911 . 0 0 "[ . 1 . 2]" 1
98 1 14 PRO HB3 1 15 ASN H 3.650 . 5.500 4.385 3.523 4.685 . 0 0 "[ . 1 . 2]" 1
99 1 14 PRO HD2 1 14 PRO HG2 2.890 . 3.980 2.308 2.260 2.325 . 0 0 "[ . 1 . 2]" 1
100 1 14 PRO HD2 1 14 PRO QG 2.600 . 3.400 2.234 2.187 2.250 . 0 0 "[ . 1 . 2]" 1
101 1 14 PRO HD2 1 15 ASN H 3.650 . 5.500 2.919 2.125 4.214 . 0 0 "[ . 1 . 2]" 1
102 1 14 PRO HD3 1 14 PRO HG2 2.770 . 3.740 2.706 2.672 2.814 . 0 0 "[ . 1 . 2]" 1
103 1 14 PRO HD3 1 15 ASN H 3.240 . 4.680 3.970 3.463 4.691 0.011 13 0 "[ . 1 . 2]" 1
104 1 14 PRO HG2 1 15 ASN H 3.650 . 5.500 4.439 3.622 5.530 0.030 16 0 "[ . 1 . 2]" 1
105 1 15 ASN H 1 15 ASN HA 2.630 . 3.460 2.830 2.265 2.945 . 0 0 "[ . 1 . 2]" 1
106 1 15 ASN H 1 15 ASN HB2 2.950 . 4.100 2.755 2.132 3.290 . 0 0 "[ . 1 . 2]" 1
107 1 15 ASN H 1 15 ASN HB3 2.890 . 3.980 3.356 2.809 3.996 0.016 9 0 "[ . 1 . 2]" 1
108 1 15 ASN H 1 16 VAL H 2.920 . 4.040 3.113 1.809 4.132 0.092 12 0 "[ . 1 . 2]" 1
109 1 15 ASN H 1 16 VAL QG 3.580 . 5.360 3.634 2.688 5.067 . 0 0 "[ . 1 . 2]" 1
110 1 15 ASN HA 1 15 ASN HB2 2.720 . 3.640 2.782 2.563 2.990 . 0 0 "[ . 1 . 2]" 1
111 1 15 ASN HA 1 15 ASN HB3 2.630 . 3.460 2.872 2.637 3.014 . 0 0 "[ . 1 . 2]" 1
112 1 15 ASN HA 1 15 ASN HD21 3.650 . 5.500 3.860 1.999 4.365 . 0 0 "[ . 1 . 2]" 1
113 1 15 ASN HA 1 16 VAL H 2.680 . 3.560 3.051 2.160 3.566 0.006 3 0 "[ . 1 . 2]" 1
114 1 15 ASN HA 1 16 VAL QG 3.650 . 5.500 3.934 3.418 4.341 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASN HB2 1 15 ASN HD21 3.270 . 4.740 2.656 2.114 3.546 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN HB2 1 16 VAL H 3.600 . 5.400 3.621 2.222 4.642 . 0 0 "[ . 1 . 2]" 1
117 1 15 ASN HB2 1 16 VAL QG 3.650 . 5.500 4.547 3.435 5.523 0.023 18 0 "[ . 1 . 2]" 1
118 1 15 ASN HB3 1 15 ASN HD21 2.980 . 4.160 2.694 2.120 3.553 . 0 0 "[ . 1 . 2]" 1
119 1 15 ASN HB3 1 15 ASN HD22 3.300 . 4.800 3.251 3.083 3.556 . 0 0 "[ . 1 . 2]" 1
120 1 15 ASN HB3 1 16 VAL H 3.340 . 4.880 2.869 1.919 4.409 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASN HB3 1 16 VAL HB 3.650 . 5.500 4.991 4.306 5.530 0.030 19 0 "[ . 1 . 2]" 1
122 1 15 ASN HB3 1 16 VAL QG 3.180 . 4.560 3.797 2.410 4.620 0.060 8 0 "[ . 1 . 2]" 1
123 1 16 VAL H 1 16 VAL HA 2.780 . 3.760 2.586 2.258 2.948 . 0 0 "[ . 1 . 2]" 1
124 1 16 VAL H 1 16 VAL HB 2.760 . 3.720 3.337 2.416 3.739 0.019 20 0 "[ . 1 . 2]" 1
125 1 16 VAL H 1 16 VAL QG 2.780 . 3.760 2.563 1.903 3.284 . 0 0 "[ . 1 . 2]" 1
126 1 16 VAL H 1 17 ILE H 3.090 . 4.380 3.651 2.585 4.448 0.068 18 0 "[ . 1 . 2]" 1
127 1 16 VAL HA 1 16 VAL HB 2.840 . 3.820 2.753 2.409 3.021 . 0 0 "[ . 1 . 2]" 1
128 1 16 VAL HA 1 16 VAL QG 2.680 . 3.560 2.160 1.988 2.361 . 0 0 "[ . 1 . 2]" 1
129 1 16 VAL HA 1 17 ILE H 2.490 . 3.180 2.385 2.128 2.870 . 0 0 "[ . 1 . 2]" 1
130 1 16 VAL HB 1 17 ILE H 3.280 . 4.760 4.183 3.361 4.658 . 0 0 "[ . 1 . 2]" 1
131 1 16 VAL QG 1 17 ILE H 3.200 . 4.600 3.047 1.835 3.747 . 0 0 "[ . 1 . 2]" 1
132 1 16 VAL QG 1 21 CYS HB2 2.880 . 3.960 3.666 2.941 4.037 0.077 20 0 "[ . 1 . 2]" 1
133 1 17 ILE H 1 17 ILE HA 2.700 . 3.600 2.860 2.265 2.948 . 0 0 "[ . 1 . 2]" 1
134 1 17 ILE H 1 17 ILE HB 2.730 . 3.660 3.177 2.622 3.705 0.045 12 0 "[ . 1 . 2]" 1
135 1 17 ILE H 1 17 ILE MD 3.600 . 5.400 3.424 1.944 4.891 . 0 0 "[ . 1 . 2]" 1
136 1 17 ILE H 1 17 ILE HG12 3.070 . 4.340 3.677 2.161 4.389 0.049 5 0 "[ . 1 . 2]" 1
137 1 17 ILE H 1 17 ILE HG13 3.270 . 4.740 3.097 2.043 4.757 0.017 5 0 "[ . 1 . 2]" 1
138 1 17 ILE H 1 17 ILE MG 3.270 . 4.740 3.474 2.005 4.044 . 0 0 "[ . 1 . 2]" 1
139 1 17 ILE H 1 18 SER H 3.030 . 4.260 3.846 1.990 4.329 0.069 18 0 "[ . 1 . 2]" 1
140 1 17 ILE HA 1 17 ILE HB 2.500 . 3.100 2.528 2.237 2.690 . 0 0 "[ . 1 . 2]" 1
141 1 17 ILE HA 1 17 ILE MD 3.040 . 4.120 3.676 1.989 4.123 0.003 12 0 "[ . 1 . 2]" 1
142 1 17 ILE HA 1 17 ILE HG12 2.570 . 3.340 2.310 2.116 3.033 . 0 0 "[ . 1 . 2]" 1
143 1 17 ILE HA 1 17 ILE HG13 2.930 . 4.060 3.020 2.561 4.009 . 0 0 "[ . 1 . 2]" 1
144 1 17 ILE HA 1 17 ILE MG 2.530 . 3.260 2.105 1.800 2.748 . 0 0 "[ . 1 . 2]" 1
145 1 17 ILE HA 1 18 SER H 2.480 . 3.160 2.602 2.107 3.166 0.006 15 0 "[ . 1 . 2]" 1
146 1 17 ILE HB 1 17 ILE MD 2.750 . 3.700 2.121 1.913 2.436 . 0 0 "[ . 1 . 2]" 1
147 1 17 ILE HB 1 17 ILE HG12 2.630 . 3.460 2.306 2.101 2.469 . 0 0 "[ . 1 . 2]" 1
148 1 17 ILE HB 1 17 ILE HG13 2.520 . 3.120 2.452 2.201 2.681 . 0 0 "[ . 1 . 2]" 1
149 1 17 ILE HB 1 18 SER H 2.840 . 3.880 3.307 1.815 3.954 0.074 10 0 "[ . 1 . 2]" 1
150 1 17 ILE MD 1 17 ILE HG12 2.440 . 3.080 2.099 2.072 2.120 . 0 0 "[ . 1 . 2]" 1
151 1 17 ILE MD 1 18 SER H 3.650 . 5.500 4.444 2.936 5.426 . 0 0 "[ . 1 . 2]" 1
152 1 17 ILE HG12 1 17 ILE MG 2.480 . 3.160 2.138 1.911 2.554 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE HG12 1 18 SER H 3.650 . 5.500 4.474 2.338 5.453 . 0 0 "[ . 1 . 2]" 1
154 1 17 ILE HG13 1 17 ILE MG 2.630 . 3.460 2.330 1.945 2.850 . 0 0 "[ . 1 . 2]" 1
155 1 17 ILE HG13 1 18 SER H 3.220 . 4.640 4.052 2.088 4.691 0.051 2 0 "[ . 1 . 2]" 1
156 1 17 ILE MG 1 18 SER H 3.320 . 4.840 3.124 1.900 4.209 . 0 0 "[ . 1 . 2]" 1
157 1 17 ILE MG 1 18 SER HA 3.650 . 5.500 4.181 3.355 5.504 0.004 18 0 "[ . 1 . 2]" 1
158 1 17 ILE MG 1 18 SER HB2 3.650 . 5.500 4.506 3.316 5.363 . 0 0 "[ . 1 . 2]" 1
159 1 17 ILE MG 1 18 SER HB3 3.650 . 5.500 4.897 3.887 5.509 0.009 15 0 "[ . 1 . 2]" 1
160 1 18 SER H 1 18 SER HB2 2.840 . 3.880 3.425 2.171 3.902 0.022 10 0 "[ . 1 . 2]" 1
161 1 18 SER H 1 18 SER HB3 2.950 . 4.100 3.373 2.538 4.101 0.001 17 0 "[ . 1 . 2]" 1
162 1 18 SER HA 1 18 SER HB2 2.630 . 3.460 2.613 2.354 3.022 . 0 0 "[ . 1 . 2]" 1
163 1 18 SER HA 1 18 SER HB3 2.810 . 3.820 2.655 2.264 3.020 . 0 0 "[ . 1 . 2]" 1
164 1 18 SER HA 1 19 SER H 2.450 . 3.100 2.605 2.126 2.806 . 0 0 "[ . 1 . 2]" 1
165 1 19 SER H 1 19 SER HB2 2.930 . 4.060 3.429 2.359 4.065 0.005 3 0 "[ . 1 . 2]" 1
166 1 19 SER H 1 19 SER HB3 2.720 . 3.640 3.347 2.435 3.669 0.029 12 0 "[ . 1 . 2]" 1
167 1 19 SER H 1 20 ILE H 2.750 . 3.700 2.842 1.947 3.737 0.037 8 0 "[ . 1 . 2]" 1
168 1 19 SER HA 1 19 SER HB2 2.870 . 3.940 2.698 2.419 3.018 . 0 0 "[ . 1 . 2]" 1
169 1 19 SER HA 1 19 SER HB3 2.350 . 2.900 2.404 2.236 2.905 0.005 16 0 "[ . 1 . 2]" 1
170 1 19 SER HA 1 20 ILE H 2.640 . 3.480 3.073 2.144 3.543 0.063 13 0 "[ . 1 . 2]" 1
171 1 19 SER QB 1 20 ILE H 2.810 . 3.820 3.334 1.891 3.891 0.071 12 0 "[ . 1 . 2]" 1
172 1 19 SER HB2 1 20 ILE MG 3.650 . 5.500 5.098 4.051 5.547 0.047 5 0 "[ . 1 . 2]" 1
173 1 20 ILE H 1 20 ILE HA 2.680 . 3.560 2.584 2.255 2.933 . 0 0 "[ . 1 . 2]" 1
174 1 20 ILE H 1 20 ILE HB 2.710 . 3.620 3.098 2.216 3.707 0.087 8 0 "[ . 1 . 2]" 1
175 1 20 ILE H 1 20 ILE MD 3.650 . 5.500 4.216 2.387 4.866 . 0 0 "[ . 1 . 2]" 1
176 1 20 ILE H 1 20 ILE HG12 3.100 . 4.400 3.821 2.548 4.461 0.061 20 0 "[ . 1 . 2]" 1
177 1 20 ILE H 1 20 ILE HG13 2.920 . 4.040 3.394 2.473 4.134 0.094 14 0 "[ . 1 . 2]" 1
178 1 20 ILE H 1 20 ILE MG 3.060 . 4.320 3.841 2.722 4.102 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE H 1 21 CYS H 3.050 . 4.300 4.086 2.455 4.424 0.124 20 0 "[ . 1 . 2]" 1
180 1 20 ILE HA 1 20 ILE HG12 2.710 . 3.620 2.666 2.244 3.518 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE HA 1 21 CYS H 2.570 . 3.340 2.516 2.137 3.510 0.170 1 0 "[ . 1 . 2]" 1
182 1 20 ILE HA 1 21 CYS HB3 3.290 . 4.780 4.120 2.695 4.834 0.054 19 0 "[ . 1 . 2]" 1
183 1 20 ILE HA 1 29 CYS HB3 3.450 . 5.100 3.709 2.699 5.139 0.039 19 0 "[ . 1 . 2]" 1
184 1 20 ILE HB 1 21 CYS H 3.080 . 4.360 3.506 1.892 4.385 0.025 12 0 "[ . 1 . 2]" 1
185 1 20 ILE HB 1 22 ALA H 3.650 . 5.500 3.989 2.037 5.245 . 0 0 "[ . 1 . 2]" 1
186 1 20 ILE MD 1 20 ILE HG12 2.340 . 2.880 2.106 2.076 2.122 . 0 0 "[ . 1 . 2]" 1
187 1 20 ILE MD 1 20 ILE HG13 2.380 . 2.960 2.106 2.078 2.121 . 0 0 "[ . 1 . 2]" 1
188 1 20 ILE MD 1 22 ALA HA 3.650 . 5.500 5.216 3.445 5.544 0.044 19 0 "[ . 1 . 2]" 1
189 1 20 ILE MD 1 29 CYS HA 3.650 . 5.500 5.183 3.179 5.523 0.023 8 0 "[ . 1 . 2]" 1
190 1 20 ILE HG12 1 21 CYS H 3.430 . 5.060 3.728 1.839 5.108 0.048 4 0 "[ . 1 . 2]" 1
191 1 20 ILE HG13 1 21 CYS H 3.300 . 4.800 4.362 3.408 4.875 0.075 14 0 "[ . 1 . 2]" 1
192 1 20 ILE MG 1 21 CYS H 3.070 . 4.340 2.322 1.819 3.991 . 0 0 "[ . 1 . 2]" 1
193 1 20 ILE MG 1 21 CYS HB3 3.380 . 4.960 4.692 3.787 5.022 0.062 4 0 "[ . 1 . 2]" 1
194 1 20 ILE MG 1 22 ALA HA 3.470 . 5.140 3.468 2.342 4.466 . 0 0 "[ . 1 . 2]" 1
195 1 20 ILE MG 1 29 CYS HA 3.650 . 5.500 4.139 1.891 5.526 0.026 14 0 "[ . 1 . 2]" 1
196 1 20 ILE MG 1 29 CYS HB2 3.450 . 5.100 3.324 1.844 5.107 0.007 12 0 "[ . 1 . 2]" 1
197 1 20 ILE MG 1 29 CYS HB3 3.380 . 4.960 2.957 1.859 4.891 . 0 0 "[ . 1 . 2]" 1
198 1 21 CYS H 1 21 CYS HA 2.560 . 3.320 2.233 1.955 2.443 . 0 0 "[ . 1 . 2]" 1
199 1 21 CYS H 1 21 CYS HB2 2.670 . 3.540 2.874 2.282 3.617 0.077 14 0 "[ . 1 . 2]" 1
200 1 21 CYS H 1 21 CYS HB3 2.840 . 3.880 3.468 2.306 3.978 0.098 4 0 "[ . 1 . 2]" 1
201 1 21 CYS H 1 22 ALA H 2.780 . 3.760 2.585 1.907 3.771 0.011 16 0 "[ . 1 . 2]" 1
202 1 21 CYS H 1 22 ALA MB 3.650 . 5.500 4.467 3.670 5.071 . 0 0 "[ . 1 . 2]" 1
203 1 21 CYS HA 1 21 CYS HB2 2.620 . 3.440 2.870 2.363 3.022 . 0 0 "[ . 1 . 2]" 1
204 1 21 CYS HA 1 21 CYS HB3 2.570 . 3.340 2.495 2.240 3.008 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS HA 1 22 ALA H 2.620 . 3.440 3.297 2.388 3.528 0.088 2 0 "[ . 1 . 2]" 1
206 1 21 CYS HA 1 22 ALA MB 3.650 . 5.500 4.238 3.761 4.996 . 0 0 "[ . 1 . 2]" 1
207 1 21 CYS HA 1 29 CYS HB2 3.260 . 4.720 4.208 3.335 4.790 0.070 12 0 "[ . 1 . 2]" 1
208 1 21 CYS HA 1 29 CYS HB3 3.270 . 4.740 4.250 2.036 4.838 0.098 20 0 "[ . 1 . 2]" 1
209 1 21 CYS HB2 1 22 ALA H 3.120 . 4.440 3.346 1.854 4.428 . 0 0 "[ . 1 . 2]" 1
210 1 21 CYS HB2 1 29 CYS H 3.650 . 5.500 5.147 4.518 5.539 0.039 11 0 "[ . 1 . 2]" 1
211 1 21 CYS HB3 1 22 ALA H 3.220 . 4.640 3.859 2.838 4.581 . 0 0 "[ . 1 . 2]" 1
212 1 21 CYS HB3 1 22 ALA MB 3.650 . 5.500 4.635 3.289 5.530 0.030 16 0 "[ . 1 . 2]" 1
213 1 22 ALA H 1 22 ALA MB 2.530 . 3.260 2.171 1.945 2.367 . 0 0 "[ . 1 . 2]" 1
214 1 22 ALA H 1 23 GLY H 3.110 . 4.420 3.852 1.967 4.447 0.027 9 0 "[ . 1 . 2]" 1
215 1 22 ALA H 1 29 CYS HB2 3.650 . 5.500 3.830 2.270 5.528 0.028 19 0 "[ . 1 . 2]" 1
216 1 22 ALA H 1 29 CYS HB3 3.420 . 5.040 3.945 1.963 5.068 0.028 20 0 "[ . 1 . 2]" 1
217 1 22 ALA HA 1 23 GLY H 2.500 . 3.200 2.483 2.132 2.793 . 0 0 "[ . 1 . 2]" 1
218 1 22 ALA HA 1 23 GLY HA2 2.910 . 4.020 3.979 3.883 4.073 0.053 20 0 "[ . 1 . 2]" 1
219 1 22 ALA MB 1 23 GLY H 3.200 . 4.600 2.898 1.949 3.706 . 0 0 "[ . 1 . 2]" 1
220 1 22 ALA MB 1 23 GLY HA2 3.510 . 5.220 4.337 3.892 5.065 . 0 0 "[ . 1 . 2]" 1
221 1 22 ALA MB 1 24 THR H 3.510 . 5.220 4.407 2.671 5.229 0.009 4 0 "[ . 1 . 2]" 1
222 1 23 GLY H 1 23 GLY HA2 2.580 . 3.360 2.684 2.295 2.958 . 0 0 "[ . 1 . 2]" 1
223 1 23 GLY H 1 23 GLY HA3 2.730 . 3.660 2.623 2.294 2.932 . 0 0 "[ . 1 . 2]" 1
224 1 23 GLY H 1 24 THR H 3.160 . 4.520 3.406 2.488 4.541 0.021 17 0 "[ . 1 . 2]" 1
225 1 23 GLY HA2 1 24 THR H 2.740 . 3.680 2.748 2.138 3.565 . 0 0 "[ . 1 . 2]" 1
226 1 23 GLY HA3 1 24 THR H 2.680 . 3.560 3.080 2.135 3.564 0.004 19 0 "[ . 1 . 2]" 1
227 1 24 THR H 1 24 THR HB 2.480 . 3.160 2.522 1.986 2.819 . 0 0 "[ . 1 . 2]" 1
228 1 24 THR H 1 24 THR MG 2.820 . 3.840 2.640 1.940 3.720 . 0 0 "[ . 1 . 2]" 1
229 1 24 THR HA 1 24 THR MG 2.840 . 3.880 2.601 2.224 3.229 . 0 0 "[ . 1 . 2]" 1
230 1 24 THR HA 1 25 ILE H 2.470 . 3.140 2.560 2.176 3.089 . 0 0 "[ . 1 . 2]" 1
231 1 25 ILE H 1 25 ILE HB 2.780 . 3.760 3.210 2.635 3.794 0.034 3 0 "[ . 1 . 2]" 1
232 1 25 ILE H 1 25 ILE HG12 2.990 . 4.180 3.074 1.988 4.116 . 0 0 "[ . 1 . 2]" 1
233 1 25 ILE H 1 25 ILE HG13 2.830 . 3.860 2.358 1.798 3.557 0.002 11 0 "[ . 1 . 2]" 1
234 1 25 ILE H 1 25 ILE MG 3.110 . 4.420 3.430 1.921 4.016 . 0 0 "[ . 1 . 2]" 1
235 1 25 ILE HA 1 25 ILE HB 2.510 . 3.160 2.426 2.202 2.689 . 0 0 "[ . 1 . 2]" 1
236 1 25 ILE HA 1 25 ILE MD 3.110 . 4.420 3.433 2.011 4.161 . 0 0 "[ . 1 . 2]" 1
237 1 25 ILE HA 1 25 ILE MG 2.710 . 3.620 2.272 2.020 2.461 . 0 0 "[ . 1 . 2]" 1
238 1 25 ILE HA 1 25 ILE MG 2.600 . 3.400 2.063 1.871 2.255 . 0 0 "[ . 1 . 2]" 1
239 1 25 ILE HA 1 26 ILE H 2.360 . 2.920 2.316 1.816 2.750 . 0 0 "[ . 1 . 2]" 1
240 1 25 ILE HB 1 25 ILE MD 2.840 . 3.700 2.038 1.824 2.320 . 0 0 "[ . 1 . 2]" 1
241 1 25 ILE HB 1 25 ILE HG12 2.610 . 3.420 2.476 2.168 2.685 . 0 0 "[ . 1 . 2]" 1
242 1 25 ILE HB 1 26 ILE H 2.460 . 3.120 2.536 1.924 3.134 0.014 18 0 "[ . 1 . 2]" 1
243 1 25 ILE MD 1 26 ILE H 3.650 . 5.500 3.410 2.361 4.532 . 0 0 "[ . 1 . 2]" 1
244 1 25 ILE MG 1 26 ILE H 2.760 . 3.720 2.889 1.937 3.689 . 0 0 "[ . 1 . 2]" 1
245 1 26 ILE H 1 27 THR H 2.830 . 3.860 2.709 1.824 3.929 0.069 3 0 "[ . 1 . 2]" 1
246 1 26 ILE HA 1 26 ILE MD 2.990 . 4.180 3.522 1.983 4.165 . 0 0 "[ . 1 . 2]" 1
247 1 26 ILE HA 1 26 ILE MG 2.610 . 3.420 2.528 2.033 3.207 . 0 0 "[ . 1 . 2]" 1
248 1 26 ILE HA 1 27 THR H 2.470 . 3.140 2.652 2.077 3.188 0.048 15 0 "[ . 1 . 2]" 1
249 1 26 ILE HB 1 27 THR H 3.140 . 4.480 3.429 1.994 4.443 . 0 0 "[ . 1 . 2]" 1
250 1 26 ILE MD 1 26 ILE HG13 2.290 . 2.780 2.095 2.072 2.120 . 0 0 "[ . 1 . 2]" 1
251 1 26 ILE HG13 1 27 THR H 3.260 . 4.720 2.827 1.883 3.786 . 0 0 "[ . 1 . 2]" 1
252 1 26 ILE MG 1 27 THR H 3.220 . 4.640 3.332 1.921 4.253 . 0 0 "[ . 1 . 2]" 1
253 1 27 THR HA 1 27 THR MG 2.910 . 4.020 2.398 2.205 3.228 . 0 0 "[ . 1 . 2]" 1
254 1 27 THR HA 1 28 ALA H 2.720 . 3.640 3.001 2.113 3.575 . 0 0 "[ . 1 . 2]" 1
255 1 27 THR HA 1 28 ALA MB 3.650 . 5.500 4.414 3.872 4.927 . 0 0 "[ . 1 . 2]" 1
256 1 27 THR HB 1 28 ALA MB 3.320 . 4.840 4.217 3.098 5.003 0.163 9 0 "[ . 1 . 2]" 1
257 1 27 THR MG 1 28 ALA H 2.880 . 3.960 3.142 1.858 3.983 0.023 8 0 "[ . 1 . 2]" 1
258 1 28 ALA H 1 28 ALA HA 2.530 . 3.260 2.922 2.738 2.950 . 0 0 "[ . 1 . 2]" 1
259 1 28 ALA H 1 29 CYS HB3 3.550 . 5.300 4.928 3.867 5.350 0.050 13 0 "[ . 1 . 2]" 1
260 1 28 ALA HA 1 29 CYS H 2.660 . 3.520 3.413 3.003 3.556 0.036 5 0 "[ . 1 . 2]" 1
261 1 28 ALA MB 1 29 CYS H 3.160 . 4.520 2.803 2.111 3.578 . 0 0 "[ . 1 . 2]" 1
262 1 29 CYS H 1 29 CYS HA 2.820 . 3.840 2.564 2.254 2.941 . 0 0 "[ . 1 . 2]" 1
263 1 29 CYS H 1 29 CYS HB2 2.880 . 3.960 3.675 2.644 4.058 0.098 5 0 "[ . 1 . 2]" 1
264 1 29 CYS H 1 29 CYS HB3 2.770 . 3.740 3.123 2.566 3.714 . 0 0 "[ . 1 . 2]" 1
265 1 29 CYS H 1 30 LYS H 2.980 . 4.160 3.653 2.119 4.230 0.070 7 0 "[ . 1 . 2]" 1
266 1 29 CYS HA 1 29 CYS HB2 2.600 . 3.400 2.437 2.264 2.889 . 0 0 "[ . 1 . 2]" 1
267 1 29 CYS HA 1 29 CYS HB3 2.690 . 3.580 2.636 2.223 3.025 . 0 0 "[ . 1 . 2]" 1
268 1 29 CYS HA 1 30 LYS H 2.560 . 3.320 2.396 2.137 3.117 . 0 0 "[ . 1 . 2]" 1
269 1 29 CYS HB2 1 30 LYS H 3.070 . 4.340 3.850 1.800 4.403 0.063 19 0 "[ . 1 . 2]" 1
270 1 29 CYS HB3 1 30 LYS H 3.330 . 4.860 4.380 3.395 4.648 . 0 0 "[ . 1 . 2]" 1
271 1 30 LYS H 1 30 LYS HA 2.910 . 4.020 2.874 2.732 2.944 . 0 0 "[ . 1 . 2]" 1
272 1 30 LYS H 1 30 LYS HB2 3.030 . 4.260 2.335 2.090 2.925 . 0 0 "[ . 1 . 2]" 1
273 1 30 LYS H 1 30 LYS HB3 2.800 . 3.800 3.115 2.596 3.741 . 0 0 "[ . 1 . 2]" 1
274 1 30 LYS H 1 30 LYS QD 3.650 . 5.500 4.177 2.245 4.726 . 0 0 "[ . 1 . 2]" 1
275 1 30 LYS H 1 30 LYS QG 3.030 . 4.260 3.671 2.385 4.156 . 0 0 "[ . 1 . 2]" 1
276 1 30 LYS HA 1 30 LYS HB2 2.760 . 3.720 2.764 2.477 3.021 . 0 0 "[ . 1 . 2]" 1
277 1 30 LYS HA 1 30 LYS HB3 2.810 . 3.820 2.856 2.408 3.024 . 0 0 "[ . 1 . 2]" 1
278 1 30 LYS HA 1 30 LYS QD 3.640 . 5.020 3.625 1.981 4.138 . 0 0 "[ . 1 . 2]" 1
279 1 30 LYS HA 1 30 LYS QG 2.190 . 2.580 2.236 2.049 2.492 . 0 0 "[ . 1 . 2]" 1
280 1 30 LYS HA 1 31 ASN H 2.630 . 3.460 3.460 3.150 3.540 0.080 2 0 "[ . 1 . 2]" 1
281 1 30 LYS HB2 1 30 LYS QG 2.670 . 3.520 2.327 2.137 2.526 . 0 0 "[ . 1 . 2]" 1
282 1 30 LYS HB2 1 31 ASN H 3.170 . 4.540 3.418 2.310 4.344 . 0 0 "[ . 1 . 2]" 1
283 1 30 LYS HB3 1 31 ASN H 3.180 . 4.560 3.064 1.980 3.949 . 0 0 "[ . 1 . 2]" 1
284 1 30 LYS QG 1 31 ASN H 3.280 . 4.760 4.269 3.576 4.649 . 0 0 "[ . 1 . 2]" 1
285 1 31 ASN H 1 31 ASN HA 2.800 . 3.800 2.751 2.275 2.941 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASN H 1 31 ASN HB2 3.000 . 4.200 3.174 2.125 4.071 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN H 1 31 ASN HB3 2.900 . 4.000 3.475 2.502 3.985 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASN HA 1 31 ASN HB3 2.900 . 4.000 2.662 2.355 3.028 . 0 0 "[ . 1 . 2]" 1
289 1 31 ASN HA 1 31 ASN HD22 3.650 . 5.500 4.409 3.313 5.392 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASN HA 1 32 CYS HB2 3.090 . 4.380 4.281 3.915 4.440 0.060 13 0 "[ . 1 . 2]" 1
291 1 31 ASN HB2 1 32 CYS H 2.810 . 3.820 3.599 2.408 3.842 0.022 5 0 "[ . 1 . 2]" 1
292 1 31 ASN HB3 1 31 ASN HD21 3.320 . 4.840 2.825 2.125 3.549 . 0 0 "[ . 1 . 2]" 1
293 1 31 ASN HB3 1 32 CYS H 3.330 . 4.860 3.217 1.996 4.386 . 0 0 "[ . 1 . 2]" 1
294 1 32 CYS H 1 32 CYS HA 2.830 . 3.860 2.894 2.723 2.949 . 0 0 "[ . 1 . 2]" 1
295 1 32 CYS H 1 32 CYS HB2 2.840 . 3.880 2.350 2.041 2.764 . 0 0 "[ . 1 . 2]" 1
296 1 32 CYS H 1 32 CYS HB3 3.060 . 4.320 3.342 2.710 3.727 . 0 0 "[ . 1 . 2]" 1
297 1 32 CYS H 1 33 ALA H 3.650 . 5.500 2.440 1.963 2.995 . 0 0 "[ . 1 . 2]" 1
298 1 32 CYS HA 1 32 CYS HB3 2.650 . 3.500 2.780 2.541 3.011 . 0 0 "[ . 1 . 2]" 1
299 1 32 CYS HA 1 33 ALA H 3.010 . 4.220 3.484 2.867 3.571 . 0 0 "[ . 1 . 2]" 1
300 1 32 CYS HB2 1 33 ALA H 3.650 . 5.500 3.105 2.230 4.241 . 0 0 "[ . 1 . 2]" 1
301 1 32 CYS HB3 1 33 ALA H 3.650 . 5.500 3.010 2.170 4.317 . 0 0 "[ . 1 . 2]" 1
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