NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405415 |
1x5v   |
6636 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5v
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 276
_Distance_constraint_stats_list.Viol_count 201
_Distance_constraint_stats_list.Viol_total 615.832
_Distance_constraint_stats_list.Viol_max 0.535
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.1226
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 2 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 ILE 1.892 0.195 15 0 "[ . 1 . 2 .]"
1 5 LEU 0.618 0.125 2 0 "[ . 1 . 2 .]"
1 6 HIS 6.182 0.457 18 0 "[ . 1 . 2 .]"
1 7 ASP 4.681 0.457 18 0 "[ . 1 . 2 .]"
1 8 ASN 2.370 0.348 11 0 "[ . 1 . 2 .]"
1 9 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 11 TYR 0.008 0.008 25 0 "[ . 1 . 2 .]"
1 12 VAL 0.147 0.033 11 0 "[ . 1 . 2 .]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 16 ASN 2.199 0.535 14 2 "[ . 1 +. 2 -]"
1 17 PRO 1.859 0.169 25 0 "[ . 1 . 2 .]"
1 18 CYS 1.992 0.169 25 0 "[ . 1 . 2 .]"
1 19 CYS 3.133 0.221 11 0 "[ . 1 . 2 .]"
1 20 ARG 5.211 0.346 11 0 "[ . 1 . 2 .]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 LEU 0.837 0.198 19 0 "[ . 1 . 2 .]"
1 23 GLN 0.685 0.269 3 0 "[ . 1 . 2 .]"
1 24 CYS 0.081 0.032 25 0 "[ . 1 . 2 .]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 TYR 0.119 0.073 5 0 "[ . 1 . 2 .]"
1 27 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 LYS 1.635 0.530 22 1 "[ . 1 . 2 + .]"
1 29 CYS 1.486 0.244 4 0 "[ . 1 . 2 .]"
1 30 LEU 0.328 0.156 13 0 "[ . 1 . 2 .]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 GLN 2.005 0.268 12 0 "[ . 1 . 2 .]"
1 33 VAL 0.706 0.198 12 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 1 ALA HA 1 2 CYS H 2.200 . 2.800 2.146 2.046 2.430 . 0 0 "[ . 1 . 2 .]" 1
2 1 2 CYS H 1 2 CYS HA 2.700 . 3.600 2.930 2.856 2.960 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 CYS H 1 2 CYS HB2 3.000 . 4.200 3.323 2.206 3.674 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 CYS H 1 2 CYS HB3 3.100 . 4.300 2.704 2.510 3.484 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 CYS HA 1 3 GLY H 2.100 . 2.600 2.195 2.062 2.548 . 0 0 "[ . 1 . 2 .]" 1
6 1 2 CYS HB2 1 3 GLY H 3.400 . 4.800 3.172 2.095 4.514 . 0 0 "[ . 1 . 2 .]" 1
7 1 2 CYS HB3 1 3 GLY H 3.400 . 4.800 3.941 3.581 4.183 . 0 0 "[ . 1 . 2 .]" 1
8 1 2 CYS HB3 1 19 CYS H 3.600 . 5.200 4.366 3.894 4.977 . 0 0 "[ . 1 . 2 .]" 1
9 1 3 GLY H 1 3 GLY HA2 2.900 . 4.000 2.782 2.682 2.857 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 GLY H 1 3 GLY HA3 2.100 . 2.700 2.269 2.244 2.308 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 GLY H 1 19 CYS H 3.500 . 5.000 3.327 2.742 3.731 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 GLY HA2 1 4 ILE H 1.900 . 2.300 2.134 2.060 2.285 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 GLY HA2 1 19 CYS H 6.000 . 6.000 4.560 4.125 4.851 . 0 0 "[ . 1 . 2 .]" 1
14 1 3 GLY HA3 1 4 ILE H 3.100 . 4.300 3.084 2.829 3.290 . 0 0 "[ . 1 . 2 .]" 1
15 1 3 GLY HA3 1 19 CYS H 4.400 . 6.000 3.666 3.001 4.099 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ILE H 1 4 ILE HA 2.900 . 3.900 2.949 2.905 2.986 . 0 0 "[ . 1 . 2 .]" 1
17 1 4 ILE H 1 4 ILE HB 4.400 . 6.000 3.719 3.641 3.810 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 ILE H 1 4 ILE QG 2.300 . 2.900 2.012 1.798 2.663 . 0 0 "[ . 1 . 2 .]" 1
19 1 4 ILE H 1 7 ASP H 5.200 . 6.000 3.768 3.361 4.090 . 0 0 "[ . 1 . 2 .]" 1
20 1 4 ILE H 1 7 ASP QB 2.700 . 3.600 1.899 1.755 2.096 0.045 21 0 "[ . 1 . 2 .]" 1
21 1 4 ILE HA 1 4 ILE HB 2.900 . 4.000 2.510 2.450 2.575 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 ILE HA 1 4 ILE QG 3.500 . 5.000 3.343 3.322 3.495 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 ILE HA 1 5 LEU H 2.300 . 3.000 2.403 2.260 2.551 . 0 0 "[ . 1 . 2 .]" 1
24 1 4 ILE HA 1 19 CYS H 4.000 . 6.000 4.023 3.755 4.380 . 0 0 "[ . 1 . 2 .]" 1
25 1 4 ILE HB 1 4 ILE QG 2.000 . 2.500 2.385 2.171 2.425 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 ILE HB 1 5 LEU H 1.800 . 2.200 2.015 1.813 2.229 0.029 11 0 "[ . 1 . 2 .]" 1
27 1 4 ILE QG 1 5 LEU H 3.500 . 5.000 3.421 3.214 3.620 . 0 0 "[ . 1 . 2 .]" 1
28 1 4 ILE QG 1 19 CYS H 5.400 . 6.000 6.057 5.869 6.195 0.195 15 0 "[ . 1 . 2 .]" 1
29 1 5 LEU H 1 5 LEU HA 2.500 . 3.300 2.752 2.572 2.864 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 LEU H 1 5 LEU HB2 2.900 . 4.000 3.573 3.534 3.618 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 LEU H 1 5 LEU HB3 2.000 . 2.500 2.454 2.291 2.625 0.125 2 0 "[ . 1 . 2 .]" 1
32 1 5 LEU H 1 6 HIS H 4.100 . 6.000 2.892 2.680 3.210 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 LEU HA 1 5 LEU HB3 2.600 . 3.400 2.409 2.332 2.480 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 LEU HA 1 5 LEU HG 3.700 . 5.400 3.720 3.644 3.781 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 LEU HA 1 6 HIS H 2.000 . 6.000 3.354 3.139 3.558 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 LEU HA 1 7 ASP H 3.400 . 4.900 4.164 3.890 4.555 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 LEU HA 1 29 CYS HB2 4.800 . 6.000 5.253 3.404 5.999 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 LEU HA 1 29 CYS HB3 3.500 . 5.000 3.989 3.296 4.628 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 LEU HB2 1 6 HIS H 4.200 . 6.000 4.202 3.717 4.442 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 LEU HB3 1 5 LEU HG 2.500 . 3.300 2.932 2.693 3.037 . 0 0 "[ . 1 . 2 .]" 1
41 1 5 LEU HB3 1 6 HIS H 4.600 . 6.000 4.261 3.919 4.481 . 0 0 "[ . 1 . 2 .]" 1
42 1 5 LEU HG 1 6 HIS H 2.800 . 3.800 2.917 2.127 3.362 . 0 0 "[ . 1 . 2 .]" 1
43 1 5 LEU HG 1 6 HIS HD2 2.900 . 4.000 2.095 1.896 3.344 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 LEU HG 1 6 HIS HE1 5.200 . 6.000 5.598 5.146 5.778 . 0 0 "[ . 1 . 2 .]" 1
45 1 6 HIS H 1 6 HIS HB2 4.200 . 6.000 3.900 3.806 3.948 . 0 0 "[ . 1 . 2 .]" 1
46 1 6 HIS H 1 6 HIS HB3 3.600 . 5.300 3.374 3.200 3.511 . 0 0 "[ . 1 . 2 .]" 1
47 1 6 HIS H 1 6 HIS HD2 4.300 . 6.000 3.566 2.989 4.215 . 0 0 "[ . 1 . 2 .]" 1
48 1 6 HIS H 1 7 ASP H 2.700 . 3.600 2.446 2.123 2.875 . 0 0 "[ . 1 . 2 .]" 1
49 1 6 HIS H 1 29 CYS HB2 2.800 . 6.000 5.637 3.875 6.244 0.244 4 0 "[ . 1 . 2 .]" 1
50 1 6 HIS H 1 29 CYS HB3 3.500 . 6.000 4.494 4.009 5.387 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 HIS H 1 30 LEU HA 3.600 . 6.000 5.442 4.498 6.156 0.156 13 0 "[ . 1 . 2 .]" 1
52 1 6 HIS HA 1 6 HIS HB2 3.000 . 4.100 2.486 2.395 2.546 . 0 0 "[ . 1 . 2 .]" 1
53 1 6 HIS HA 1 6 HIS HB3 2.500 . 3.300 2.418 2.359 2.503 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 HIS HA 1 6 HIS HD2 3.700 . 5.500 4.626 4.360 4.809 . 0 0 "[ . 1 . 2 .]" 1
55 1 6 HIS HA 1 7 ASP H 3.000 . 4.100 2.680 2.534 2.853 . 0 0 "[ . 1 . 2 .]" 1
56 1 6 HIS HA 1 29 CYS H 6.000 . 6.000 4.218 3.321 5.102 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 HIS HB2 1 6 HIS HD2 3.800 . 5.600 3.813 3.670 3.891 . 0 0 "[ . 1 . 2 .]" 1
58 1 6 HIS HB2 1 7 ASP H 4.500 . 6.000 4.454 4.407 4.520 . 0 0 "[ . 1 . 2 .]" 1
59 1 6 HIS HB3 1 6 HIS HD2 3.200 . 4.500 2.732 2.671 2.823 . 0 0 "[ . 1 . 2 .]" 1
60 1 6 HIS HE1 1 7 ASP HB2 4.500 . 6.000 6.121 5.506 6.457 0.457 18 0 "[ . 1 . 2 .]" 1
61 1 7 ASP H 1 7 ASP HA 2.700 . 3.600 2.969 2.877 2.993 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 ASP H 1 7 ASP QB 2.300 . 3.000 2.434 2.266 2.596 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 ASP H 1 29 CYS HB3 3.700 . 5.400 2.938 1.999 4.489 0.001 24 0 "[ . 1 . 2 .]" 1
64 1 7 ASP HA 1 7 ASP QB 3.100 . 4.300 2.364 2.277 2.465 . 0 0 "[ . 1 . 2 .]" 1
65 1 7 ASP HA 1 8 ASN H 2.000 . 2.500 2.117 2.022 2.639 0.139 24 0 "[ . 1 . 2 .]" 1
66 1 7 ASP QB 1 8 ASN H 4.100 . 6.000 3.577 2.705 3.876 . 0 0 "[ . 1 . 2 .]" 1
67 1 7 ASP QB 1 29 CYS H 4.300 . 6.000 3.790 3.219 4.158 . 0 0 "[ . 1 . 2 .]" 1
68 1 8 ASN H 1 8 ASN HA 2.700 . 3.600 2.846 2.752 2.947 . 0 0 "[ . 1 . 2 .]" 1
69 1 8 ASN H 1 8 ASN HB2 2.500 . 3.300 2.732 2.272 3.648 0.348 11 0 "[ . 1 . 2 .]" 1
70 1 8 ASN H 1 8 ASN HB3 2.800 . 3.800 3.217 2.385 3.666 . 0 0 "[ . 1 . 2 .]" 1
71 1 8 ASN H 1 8 ASN HD21 4.100 . 6.000 3.817 1.981 4.798 0.019 5 0 "[ . 1 . 2 .]" 1
72 1 8 ASN H 1 8 ASN HD22 6.000 . 6.000 4.442 3.373 5.744 . 0 0 "[ . 1 . 2 .]" 1
73 1 8 ASN HA 1 9 CYS H 2.000 . 2.500 2.092 2.039 2.294 . 0 0 "[ . 1 . 2 .]" 1
74 1 8 ASN HA 1 27 GLY HA3 6.000 . 6.000 5.194 5.006 5.591 . 0 0 "[ . 1 . 2 .]" 1
75 1 8 ASN HA 1 28 LYS HA 3.500 . 5.000 2.110 1.901 2.437 0.099 22 0 "[ . 1 . 2 .]" 1
76 1 8 ASN HA 1 29 CYS H 4.700 . 6.000 3.508 2.916 3.952 . 0 0 "[ . 1 . 2 .]" 1
77 1 8 ASN HB2 1 8 ASN HD21 3.100 . 4.300 2.841 2.216 3.603 . 0 0 "[ . 1 . 2 .]" 1
78 1 8 ASN HB2 1 9 CYS H 3.200 . 4.500 3.937 2.915 4.347 . 0 0 "[ . 1 . 2 .]" 1
79 1 8 ASN HB3 1 8 ASN HD21 2.600 . 3.500 2.734 2.191 3.504 0.004 15 0 "[ . 1 . 2 .]" 1
80 1 8 ASN HB3 1 8 ASN HD22 4.000 . 6.000 3.684 3.446 4.038 . 0 0 "[ . 1 . 2 .]" 1
81 1 8 ASN HB3 1 9 CYS H 3.400 . 4.900 3.549 2.626 4.247 . 0 0 "[ . 1 . 2 .]" 1
82 1 9 CYS H 1 9 CYS HA 2.800 . 3.800 2.872 2.721 2.946 . 0 0 "[ . 1 . 2 .]" 1
83 1 9 CYS H 1 9 CYS HB2 3.700 . 5.400 3.732 3.210 4.095 . 0 0 "[ . 1 . 2 .]" 1
84 1 9 CYS H 1 9 CYS HB3 3.900 . 5.800 3.281 2.707 3.711 . 0 0 "[ . 1 . 2 .]" 1
85 1 9 CYS H 1 28 LYS HA 2.600 . 3.500 2.129 1.831 2.844 . 0 0 "[ . 1 . 2 .]" 1
86 1 9 CYS HA 1 10 VAL H 2.000 . 2.500 2.204 2.038 2.473 . 0 0 "[ . 1 . 2 .]" 1
87 1 9 CYS HB2 1 10 VAL H 3.200 . 4.400 3.113 2.122 4.086 . 0 0 "[ . 1 . 2 .]" 1
88 1 9 CYS HB3 1 10 VAL H 3.100 . 4.300 3.797 3.479 4.073 . 0 0 "[ . 1 . 2 .]" 1
89 1 10 VAL H 1 10 VAL HB 2.800 . 3.800 3.247 2.514 3.749 . 0 0 "[ . 1 . 2 .]" 1
90 1 11 TYR H 1 11 TYR QB 2.100 . 2.700 2.368 2.185 2.708 0.008 25 0 "[ . 1 . 2 .]" 1
91 1 11 TYR H 1 12 VAL H 4.600 . 6.000 3.858 3.677 4.017 . 0 0 "[ . 1 . 2 .]" 1
92 1 11 TYR HA 1 11 TYR QB 2.500 . 3.300 2.304 2.152 2.473 . 0 0 "[ . 1 . 2 .]" 1
93 1 11 TYR HA 1 12 VAL H 2.000 . 2.500 2.285 2.189 2.404 . 0 0 "[ . 1 . 2 .]" 1
94 1 11 TYR QB 1 12 VAL H 4.400 . 6.000 3.961 3.842 4.020 . 0 0 "[ . 1 . 2 .]" 1
95 1 12 VAL H 1 12 VAL HA 2.800 . 3.800 2.970 2.944 2.985 . 0 0 "[ . 1 . 2 .]" 1
96 1 12 VAL H 1 12 VAL HB 2.900 . 3.900 3.470 2.698 3.852 . 0 0 "[ . 1 . 2 .]" 1
97 1 12 VAL H 1 24 CYS H 5.700 . 6.000 5.541 4.760 6.032 0.032 19 0 "[ . 1 . 2 .]" 1
98 1 12 VAL HA 1 12 VAL HB 2.300 . 3.000 2.556 2.396 3.033 0.033 11 0 "[ . 1 . 2 .]" 1
99 1 12 VAL HA 1 13 PRO HD2 3.000 . 4.100 2.274 1.927 2.646 . 0 0 "[ . 1 . 2 .]" 1
100 1 12 VAL HA 1 13 PRO HD3 3.000 . 4.100 2.375 1.972 2.896 . 0 0 "[ . 1 . 2 .]" 1
101 1 13 PRO HA 1 16 ASN HD21 5.400 . 6.000 4.031 2.109 5.839 . 0 0 "[ . 1 . 2 .]" 1
102 1 13 PRO HB2 1 13 PRO HG2 2.200 . 2.800 2.306 2.277 2.343 . 0 0 "[ . 1 . 2 .]" 1
103 1 13 PRO HB2 1 14 ALA H 2.800 . 3.800 2.883 2.316 3.455 . 0 0 "[ . 1 . 2 .]" 1
104 1 13 PRO HB3 1 13 PRO HD2 3.900 . 5.800 3.878 3.843 3.919 . 0 0 "[ . 1 . 2 .]" 1
105 1 13 PRO HB3 1 13 PRO HD3 3.900 . 5.800 3.598 2.937 4.026 . 0 0 "[ . 1 . 2 .]" 1
106 1 13 PRO HD2 1 13 PRO HG2 2.500 . 3.300 2.300 2.260 2.329 . 0 0 "[ . 1 . 2 .]" 1
107 1 13 PRO HD3 1 13 PRO HG3 2.600 . 3.400 2.274 2.246 2.312 . 0 0 "[ . 1 . 2 .]" 1
108 1 14 ALA H 1 14 ALA HA 2.500 . 3.300 2.785 2.715 2.852 . 0 0 "[ . 1 . 2 .]" 1
109 1 14 ALA H 1 15 GLN H 2.800 . 3.800 2.643 2.435 2.864 . 0 0 "[ . 1 . 2 .]" 1
110 1 14 ALA HA 1 15 GLN H 3.300 . 4.600 3.474 3.328 3.521 . 0 0 "[ . 1 . 2 .]" 1
111 1 15 GLN H 1 15 GLN HB2 3.100 . 4.300 2.830 2.394 3.254 . 0 0 "[ . 1 . 2 .]" 1
112 1 15 GLN H 1 15 GLN HB3 3.100 . 4.300 3.145 2.555 3.784 . 0 0 "[ . 1 . 2 .]" 1
113 1 15 GLN H 1 15 GLN QG 3.300 . 4.700 3.599 2.585 4.217 . 0 0 "[ . 1 . 2 .]" 1
114 1 15 GLN HA 1 16 ASN H 2.300 . 3.000 2.614 2.377 2.815 . 0 0 "[ . 1 . 2 .]" 1
115 1 15 GLN HB2 1 15 GLN QG 2.500 . 3.300 2.297 2.110 2.415 . 0 0 "[ . 1 . 2 .]" 1
116 1 15 GLN HB2 1 16 ASN H 3.600 . 5.200 4.411 4.152 4.572 . 0 0 "[ . 1 . 2 .]" 1
117 1 15 GLN HB3 1 15 GLN QG 2.400 . 3.100 2.326 2.167 2.551 . 0 0 "[ . 1 . 2 .]" 1
118 1 15 GLN HB3 1 16 ASN H 4.800 . 6.000 4.355 4.163 4.453 . 0 0 "[ . 1 . 2 .]" 1
119 1 15 GLN HG3 1 16 ASN H 4.100 . 6.000 5.043 4.631 5.945 . 0 0 "[ . 1 . 2 .]" 1
120 1 16 ASN H 1 16 ASN HA 2.800 . 3.800 2.800 2.746 2.860 . 0 0 "[ . 1 . 2 .]" 1
121 1 16 ASN H 1 16 ASN HB2 2.400 . 3.100 2.592 2.347 3.635 0.535 14 2 "[ . 1 +. 2 -]" 1
122 1 16 ASN H 1 16 ASN HB3 2.600 . 3.400 2.570 2.329 2.805 . 0 0 "[ . 1 . 2 .]" 1
123 1 16 ASN HA 1 16 ASN HB2 2.500 . 3.300 2.445 2.330 2.563 . 0 0 "[ . 1 . 2 .]" 1
124 1 16 ASN HA 1 16 ASN HB3 2.600 . 3.400 2.983 2.305 3.048 . 0 0 "[ . 1 . 2 .]" 1
125 1 16 ASN HA 1 17 PRO HD2 3.000 . 4.100 2.180 2.031 2.511 . 0 0 "[ . 1 . 2 .]" 1
126 1 16 ASN HA 1 17 PRO HD3 2.500 . 3.300 2.156 1.920 2.273 . 0 0 "[ . 1 . 2 .]" 1
127 1 16 ASN HB2 1 16 ASN HD21 2.500 . 3.300 2.674 2.207 3.463 0.163 22 0 "[ . 1 . 2 .]" 1
128 1 16 ASN HB2 1 16 ASN HD22 4.000 . 6.000 3.646 3.456 4.009 . 0 0 "[ . 1 . 2 .]" 1
129 1 16 ASN HB2 1 18 CYS H 5.500 . 6.000 4.400 2.609 4.857 . 0 0 "[ . 1 . 2 .]" 1
130 1 16 ASN HB3 1 16 ASN HD21 2.600 . 3.500 2.747 2.226 3.563 0.063 25 0 "[ . 1 . 2 .]" 1
131 1 16 ASN HD21 1 23 GLN HA 3.900 . 5.800 4.084 2.791 6.069 0.269 3 0 "[ . 1 . 2 .]" 1
132 1 16 ASN HD22 1 18 CYS QB 3.700 . 5.400 2.538 1.944 4.975 0.056 23 0 "[ . 1 . 2 .]" 1
133 1 16 ASN HD22 1 23 GLN HA 2.800 . 6.000 3.145 2.108 5.890 . 0 0 "[ . 1 . 2 .]" 1
134 1 17 PRO QB 1 18 CYS HB2 3.600 . 5.200 5.022 4.580 5.253 0.053 15 0 "[ . 1 . 2 .]" 1
135 1 17 PRO QB 1 17 PRO HD3 3.100 . 4.300 2.950 2.759 3.268 . 0 0 "[ . 1 . 2 .]" 1
136 1 17 PRO QB 1 17 PRO HG2 1.900 . 2.300 2.271 2.220 2.302 0.002 10 0 "[ . 1 . 2 .]" 1
137 1 17 PRO QB 1 17 PRO HG3 1.900 . 2.400 2.178 2.167 2.186 . 0 0 "[ . 1 . 2 .]" 1
138 1 17 PRO QB 1 18 CYS H 4.200 . 6.000 3.655 3.454 3.988 . 0 0 "[ . 1 . 2 .]" 1
139 1 17 PRO HD2 1 18 CYS H 2.900 . 3.900 2.539 2.259 3.933 0.033 18 0 "[ . 1 . 2 .]" 1
140 1 17 PRO HD3 1 18 CYS H 4.700 . 6.000 3.731 3.558 4.613 . 0 0 "[ . 1 . 2 .]" 1
141 1 17 PRO HG2 1 18 CYS H 3.500 . 5.100 3.125 2.661 4.582 . 0 0 "[ . 1 . 2 .]" 1
142 1 17 PRO HG2 1 18 CYS QB 3.000 . 4.100 4.051 3.494 4.269 0.169 25 0 "[ . 1 . 2 .]" 1
143 1 17 PRO HG3 1 18 CYS H 4.100 . 6.000 4.318 4.015 5.410 . 0 0 "[ . 1 . 2 .]" 1
144 1 17 PRO HG3 1 18 CYS QB 3.600 . 6.000 5.470 4.968 5.740 . 0 0 "[ . 1 . 2 .]" 1
145 1 18 CYS H 1 18 CYS HA 3.000 . 4.200 2.850 2.808 2.917 . 0 0 "[ . 1 . 2 .]" 1
146 1 18 CYS H 1 18 CYS QB 2.400 . 3.100 2.343 2.165 2.635 . 0 0 "[ . 1 . 2 .]" 1
147 1 18 CYS H 1 19 CYS H 5.000 . 6.000 4.488 4.279 4.537 . 0 0 "[ . 1 . 2 .]" 1
148 1 18 CYS HA 1 19 CYS H 2.500 . 3.300 2.187 2.067 2.301 . 0 0 "[ . 1 . 2 .]" 1
149 1 18 CYS HA 1 22 LEU HB2 2.400 . 6.000 4.287 3.770 4.835 . 0 0 "[ . 1 . 2 .]" 1
150 1 18 CYS QB 1 19 CYS H 3.600 . 5.200 2.864 2.230 3.506 . 0 0 "[ . 1 . 2 .]" 1
151 1 18 CYS QB 1 22 LEU HB3 3.900 . 5.800 3.281 2.238 4.805 . 0 0 "[ . 1 . 2 .]" 1
152 1 19 CYS H 1 19 CYS HA 2.800 . 3.800 2.846 2.809 2.896 . 0 0 "[ . 1 . 2 .]" 1
153 1 19 CYS H 1 19 CYS HB2 2.900 . 3.900 2.435 2.154 2.791 . 0 0 "[ . 1 . 2 .]" 1
154 1 19 CYS H 1 19 CYS HB3 3.100 . 4.300 3.513 2.893 3.612 . 0 0 "[ . 1 . 2 .]" 1
155 1 19 CYS H 1 20 ARG H 5.200 . 6.000 4.543 4.313 4.592 . 0 0 "[ . 1 . 2 .]" 1
156 1 19 CYS H 1 22 LEU HB2 3.200 . 4.500 3.287 2.800 3.684 . 0 0 "[ . 1 . 2 .]" 1
157 1 19 CYS HA 1 20 ARG H 2.000 . 2.500 2.135 2.025 2.287 . 0 0 "[ . 1 . 2 .]" 1
158 1 19 CYS HB2 1 20 ARG H 2.900 . 4.000 3.990 3.529 4.221 0.221 11 0 "[ . 1 . 2 .]" 1
159 1 19 CYS HB3 1 20 ARG H 2.800 . 3.800 3.002 2.462 3.628 . 0 0 "[ . 1 . 2 .]" 1
160 1 20 ARG H 1 20 ARG HA 2.400 . 3.100 2.822 2.744 2.873 . 0 0 "[ . 1 . 2 .]" 1
161 1 20 ARG H 1 20 ARG HB2 2.500 . 3.300 2.600 2.244 3.646 0.346 11 0 "[ . 1 . 2 .]" 1
162 1 20 ARG H 1 20 ARG HB3 2.800 . 3.800 3.058 2.334 3.632 . 0 0 "[ . 1 . 2 .]" 1
163 1 20 ARG H 1 20 ARG QD 5.400 . 6.000 3.837 2.194 4.761 . 0 0 "[ . 1 . 2 .]" 1
164 1 20 ARG H 1 20 ARG QG 4.100 . 6.000 3.039 2.101 4.111 . 0 0 "[ . 1 . 2 .]" 1
165 1 20 ARG HA 1 20 ARG HB3 3.000 . 4.200 2.718 2.350 3.060 . 0 0 "[ . 1 . 2 .]" 1
166 1 20 ARG HA 1 21 GLY H 1.900 . 2.300 2.035 1.953 2.075 . 0 0 "[ . 1 . 2 .]" 1
167 1 20 ARG HB2 1 20 ARG QD 3.900 . 5.800 2.742 2.308 3.502 . 0 0 "[ . 1 . 2 .]" 1
168 1 20 ARG HB2 1 21 GLY H 6.000 . 6.000 4.185 3.202 4.415 . 0 0 "[ . 1 . 2 .]" 1
169 1 20 ARG HB3 1 20 ARG QD 2.800 . 3.800 2.784 2.283 3.514 . 0 0 "[ . 1 . 2 .]" 1
170 1 20 ARG HB3 1 20 ARG QG 1.700 . 2.200 2.305 2.153 2.458 0.258 6 0 "[ . 1 . 2 .]" 1
171 1 20 ARG HB3 1 21 GLY H 3.500 . 5.000 3.874 3.090 4.406 . 0 0 "[ . 1 . 2 .]" 1
172 1 20 ARG QG 1 21 GLY H 4.200 . 6.000 3.816 2.761 4.729 . 0 0 "[ . 1 . 2 .]" 1
173 1 21 GLY H 1 21 GLY HA2 2.500 . 3.300 2.452 2.337 2.562 . 0 0 "[ . 1 . 2 .]" 1
174 1 21 GLY H 1 21 GLY HA3 2.500 . 3.300 2.988 2.967 2.997 . 0 0 "[ . 1 . 2 .]" 1
175 1 21 GLY H 1 22 LEU H 2.500 . 3.300 2.236 1.956 2.699 . 0 0 "[ . 1 . 2 .]" 1
176 1 21 GLY HA2 1 22 LEU H 3.100 . 4.300 3.375 3.222 3.493 . 0 0 "[ . 1 . 2 .]" 1
177 1 21 GLY HA3 1 22 LEU H 3.200 . 4.500 3.116 2.829 3.315 . 0 0 "[ . 1 . 2 .]" 1
178 1 22 LEU H 1 22 LEU HA 2.700 . 3.600 2.966 2.942 2.984 . 0 0 "[ . 1 . 2 .]" 1
179 1 22 LEU H 1 22 LEU HB2 2.300 . 3.000 2.538 2.345 2.747 . 0 0 "[ . 1 . 2 .]" 1
180 1 22 LEU H 1 22 LEU HB3 4.100 . 6.000 3.694 3.573 3.805 . 0 0 "[ . 1 . 2 .]" 1
181 1 22 LEU H 1 22 LEU HG 2.900 . 4.000 3.322 2.443 4.198 0.198 19 0 "[ . 1 . 2 .]" 1
182 1 22 LEU H 1 23 GLN H 6.000 . 6.000 4.432 4.307 4.502 . 0 0 "[ . 1 . 2 .]" 1
183 1 22 LEU HA 1 23 GLN H 2.100 . 2.700 2.138 2.026 2.304 . 0 0 "[ . 1 . 2 .]" 1
184 1 22 LEU HA 1 31 VAL HA 2.700 . 3.600 2.481 1.828 2.936 . 0 0 "[ . 1 . 2 .]" 1
185 1 22 LEU HA 1 32 GLN H 2.400 . 3.100 2.362 1.842 3.295 0.195 10 0 "[ . 1 . 2 .]" 1
186 1 22 LEU HB2 1 22 LEU HG 2.500 . 3.300 2.673 2.405 3.029 . 0 0 "[ . 1 . 2 .]" 1
187 1 22 LEU HB2 1 23 GLN H 3.600 . 5.200 3.898 3.553 4.176 . 0 0 "[ . 1 . 2 .]" 1
188 1 22 LEU HB2 1 30 LEU H 5.600 . 6.000 5.452 4.880 6.028 0.028 19 0 "[ . 1 . 2 .]" 1
189 1 22 LEU HB3 1 22 LEU HG 2.500 . 3.300 2.750 2.373 3.039 . 0 0 "[ . 1 . 2 .]" 1
190 1 22 LEU HB3 1 23 GLN H 2.400 . 3.100 2.875 2.401 3.147 0.047 13 0 "[ . 1 . 2 .]" 1
191 1 22 LEU HG 1 23 GLN H 5.000 . 6.000 4.682 3.989 5.221 . 0 0 "[ . 1 . 2 .]" 1
192 1 23 GLN H 1 23 GLN HA 2.700 . 3.600 2.965 2.907 2.990 . 0 0 "[ . 1 . 2 .]" 1
193 1 23 GLN H 1 23 GLN HB2 3.000 . 4.200 2.961 2.472 3.719 . 0 0 "[ . 1 . 2 .]" 1
194 1 23 GLN H 1 23 GLN HB3 3.300 . 4.600 2.947 2.413 3.837 . 0 0 "[ . 1 . 2 .]" 1
195 1 23 GLN H 1 23 GLN QG 3.400 . 4.900 3.665 2.024 4.185 . 0 0 "[ . 1 . 2 .]" 1
196 1 23 GLN H 1 29 CYS HA 5.100 . 6.000 4.630 4.177 5.251 . 0 0 "[ . 1 . 2 .]" 1
197 1 23 GLN H 1 30 LEU H 2.700 . 3.600 3.148 2.728 3.569 . 0 0 "[ . 1 . 2 .]" 1
198 1 23 GLN H 1 31 VAL HA 4.100 . 6.000 3.495 3.010 3.845 . 0 0 "[ . 1 . 2 .]" 1
199 1 23 GLN H 1 32 GLN H 4.300 . 6.000 3.331 2.583 4.418 . 0 0 "[ . 1 . 2 .]" 1
200 1 23 GLN HA 1 24 CYS H 2.100 . 2.700 2.051 1.975 2.147 . 0 0 "[ . 1 . 2 .]" 1
201 1 23 GLN HB2 1 23 GLN QG 2.500 . 3.300 2.301 2.131 2.421 . 0 0 "[ . 1 . 2 .]" 1
202 1 23 GLN HB2 1 24 CYS H 3.800 . 5.600 4.121 3.430 4.447 . 0 0 "[ . 1 . 2 .]" 1
203 1 23 GLN HB3 1 23 GLN QG 2.600 . 3.500 2.326 2.153 2.466 . 0 0 "[ . 1 . 2 .]" 1
204 1 23 GLN HB3 1 24 CYS H 3.600 . 5.200 3.951 3.098 4.466 . 0 0 "[ . 1 . 2 .]" 1
205 1 23 GLN QG 1 24 CYS H 3.600 . 5.200 3.386 2.471 4.584 . 0 0 "[ . 1 . 2 .]" 1
206 1 24 CYS H 1 24 CYS HA 3.000 . 4.100 2.878 2.808 2.948 . 0 0 "[ . 1 . 2 .]" 1
207 1 24 CYS H 1 24 CYS HB3 2.700 . 3.600 3.063 2.338 3.632 0.032 25 0 "[ . 1 . 2 .]" 1
208 1 24 CYS HA 1 25 ARG H 2.200 . 2.800 2.062 2.022 2.131 . 0 0 "[ . 1 . 2 .]" 1
209 1 25 ARG H 1 25 ARG HA 2.700 . 3.600 2.954 2.919 2.983 . 0 0 "[ . 1 . 2 .]" 1
210 1 25 ARG H 1 25 ARG QB 2.400 . 3.100 2.346 2.217 2.597 . 0 0 "[ . 1 . 2 .]" 1
211 1 25 ARG H 1 25 ARG QD 5.300 . 6.000 4.274 2.673 4.848 . 0 0 "[ . 1 . 2 .]" 1
212 1 25 ARG H 1 25 ARG HG2 5.000 . 6.000 4.109 2.220 4.801 . 0 0 "[ . 1 . 2 .]" 1
213 1 25 ARG H 1 25 ARG HG3 4.800 . 6.000 4.168 2.551 4.756 . 0 0 "[ . 1 . 2 .]" 1
214 1 25 ARG H 1 28 LYS H 2.700 . 6.000 3.694 3.521 3.877 . 0 0 "[ . 1 . 2 .]" 1
215 1 25 ARG H 1 29 CYS HA 3.500 . 5.000 2.444 2.174 2.833 . 0 0 "[ . 1 . 2 .]" 1
216 1 25 ARG H 1 30 LEU HG 3.900 . 5.800 3.686 2.773 4.474 . 0 0 "[ . 1 . 2 .]" 1
217 1 25 ARG HA 1 25 ARG QB 3.100 . 4.300 2.378 2.251 2.489 . 0 0 "[ . 1 . 2 .]" 1
218 1 25 ARG HA 1 26 TYR H 2.100 . 2.600 2.243 2.025 2.477 . 0 0 "[ . 1 . 2 .]" 1
219 1 25 ARG QB 1 25 ARG QD 2.500 . 3.300 2.339 2.117 2.853 . 0 0 "[ . 1 . 2 .]" 1
220 1 25 ARG QB 1 25 ARG HG2 2.900 . 3.900 2.314 2.132 2.500 . 0 0 "[ . 1 . 2 .]" 1
221 1 25 ARG QB 1 25 ARG HG3 2.600 . 3.400 2.323 2.123 2.442 . 0 0 "[ . 1 . 2 .]" 1
222 1 25 ARG QB 1 26 TYR H 3.500 . 5.000 3.086 2.062 3.546 . 0 0 "[ . 1 . 2 .]" 1
223 1 25 ARG QD 1 25 ARG HG2 2.600 . 3.400 2.318 2.100 2.496 . 0 0 "[ . 1 . 2 .]" 1
224 1 25 ARG QD 1 25 ARG HG3 2.500 . 3.300 2.293 2.141 2.505 . 0 0 "[ . 1 . 2 .]" 1
225 1 25 ARG HG2 1 26 TYR H 4.800 . 6.000 3.456 2.079 4.990 . 0 0 "[ . 1 . 2 .]" 1
226 1 25 ARG HG3 1 26 TYR H 4.200 . 6.000 3.288 2.042 5.122 . 0 0 "[ . 1 . 2 .]" 1
227 1 26 TYR H 1 26 TYR HA 2.200 . 2.800 2.756 2.648 2.873 0.073 5 0 "[ . 1 . 2 .]" 1
228 1 26 TYR H 1 26 TYR HB2 3.800 . 5.600 2.708 2.325 3.645 . 0 0 "[ . 1 . 2 .]" 1
229 1 26 TYR H 1 26 TYR HB3 3.900 . 5.800 3.140 2.410 3.622 . 0 0 "[ . 1 . 2 .]" 1
230 1 26 TYR H 1 27 GLY H 3.400 . 4.900 4.118 3.939 4.236 . 0 0 "[ . 1 . 2 .]" 1
231 1 26 TYR HA 1 26 TYR HB3 3.000 . 4.100 2.640 2.250 3.043 . 0 0 "[ . 1 . 2 .]" 1
232 1 27 GLY H 1 27 GLY HA3 2.400 . 3.100 2.983 2.964 2.994 . 0 0 "[ . 1 . 2 .]" 1
233 1 27 GLY H 1 28 LYS H 2.800 . 3.800 2.850 2.358 3.067 . 0 0 "[ . 1 . 2 .]" 1
234 1 27 GLY HA2 1 28 LYS H 3.600 . 5.200 3.543 3.463 3.568 . 0 0 "[ . 1 . 2 .]" 1
235 1 27 GLY HA3 1 28 LYS H 3.200 . 4.400 2.774 2.606 3.066 . 0 0 "[ . 1 . 2 .]" 1
236 1 28 LYS H 1 28 LYS HA 2.700 . 3.600 2.907 2.867 2.980 . 0 0 "[ . 1 . 2 .]" 1
237 1 28 LYS H 1 28 LYS QB 3.100 . 4.300 3.171 2.560 3.320 . 0 0 "[ . 1 . 2 .]" 1
238 1 28 LYS H 1 28 LYS HD2 4.400 . 6.000 5.051 2.901 5.548 . 0 0 "[ . 1 . 2 .]" 1
239 1 28 LYS H 1 28 LYS HD3 4.600 . 6.000 4.819 2.211 5.271 . 0 0 "[ . 1 . 2 .]" 1
240 1 28 LYS H 1 28 LYS QE 6.000 . 6.000 4.848 4.130 6.128 0.128 20 0 "[ . 1 . 2 .]" 1
241 1 28 LYS H 1 28 LYS QG 2.900 . 3.900 2.712 2.425 4.119 0.219 20 0 "[ . 1 . 2 .]" 1
242 1 28 LYS H 1 30 LEU HG 4.000 . 6.000 4.893 4.280 5.867 . 0 0 "[ . 1 . 2 .]" 1
243 1 28 LYS HA 1 28 LYS QE 6.000 . 6.000 5.238 4.108 5.720 . 0 0 "[ . 1 . 2 .]" 1
244 1 28 LYS HA 1 29 CYS H 2.000 . 2.500 2.188 2.021 2.372 . 0 0 "[ . 1 . 2 .]" 1
245 1 28 LYS QB 1 28 LYS HD3 2.200 . 2.800 2.485 2.314 3.330 0.530 22 1 "[ . 1 . 2 + .]" 1
246 1 28 LYS QB 1 28 LYS QE 3.700 . 5.400 3.290 1.966 3.694 0.034 22 0 "[ . 1 . 2 .]" 1
247 1 28 LYS QB 1 28 LYS QG 2.000 . 2.500 2.095 1.985 2.120 . 0 0 "[ . 1 . 2 .]" 1
248 1 28 LYS QB 1 29 CYS H 3.100 . 4.300 2.531 2.140 3.642 . 0 0 "[ . 1 . 2 .]" 1
249 1 28 LYS HD2 1 28 LYS QE 3.100 . 4.300 2.293 2.140 2.413 . 0 0 "[ . 1 . 2 .]" 1
250 1 28 LYS HD2 1 28 LYS QG 2.100 . 2.600 2.324 2.145 2.506 . 0 0 "[ . 1 . 2 .]" 1
251 1 28 LYS HD3 1 28 LYS QE 2.600 . 3.400 2.319 2.163 2.383 . 0 0 "[ . 1 . 2 .]" 1
252 1 28 LYS HD3 1 29 CYS H 5.200 . 6.000 5.300 4.698 5.820 . 0 0 "[ . 1 . 2 .]" 1
253 1 28 LYS QE 1 28 LYS QG 2.900 . 3.900 2.300 2.129 2.823 . 0 0 "[ . 1 . 2 .]" 1
254 1 28 LYS QG 1 29 CYS H 3.000 . 4.200 3.628 2.657 3.965 . 0 0 "[ . 1 . 2 .]" 1
255 1 28 LYS QG 1 30 LEU HG 3.200 . 4.500 2.981 2.115 4.465 . 0 0 "[ . 1 . 2 .]" 1
256 1 29 CYS H 1 29 CYS HA 2.800 . 3.800 2.889 2.852 2.934 . 0 0 "[ . 1 . 2 .]" 1
257 1 29 CYS H 1 29 CYS HB2 2.200 . 2.800 2.535 2.171 2.716 . 0 0 "[ . 1 . 2 .]" 1
258 1 29 CYS H 1 29 CYS HB3 3.300 . 4.700 2.739 2.441 3.622 . 0 0 "[ . 1 . 2 .]" 1
259 1 29 CYS HA 1 30 LEU H 1.900 . 2.300 2.093 2.044 2.186 . 0 0 "[ . 1 . 2 .]" 1
260 1 29 CYS HB3 1 30 LEU H 3.400 . 4.900 3.829 2.959 4.389 . 0 0 "[ . 1 . 2 .]" 1
261 1 30 LEU H 1 30 LEU QB 3.000 . 4.100 2.642 2.359 3.259 . 0 0 "[ . 1 . 2 .]" 1
262 1 30 LEU H 1 30 LEU HG 3.000 . 4.200 3.004 2.102 3.256 . 0 0 "[ . 1 . 2 .]" 1
263 1 31 VAL H 1 31 VAL HA 2.400 . 3.100 2.876 2.818 2.944 . 0 0 "[ . 1 . 2 .]" 1
264 1 31 VAL H 1 31 VAL HB 2.800 . 3.800 3.079 2.556 3.664 . 0 0 "[ . 1 . 2 .]" 1
265 1 31 VAL HA 1 31 VAL HB 2.800 . 3.800 2.654 2.384 3.045 . 0 0 "[ . 1 . 2 .]" 1
266 1 31 VAL HA 1 32 GLN H 1.900 . 2.400 2.080 2.026 2.191 . 0 0 "[ . 1 . 2 .]" 1
267 1 31 VAL HB 1 32 GLN H 3.500 . 5.000 3.792 2.541 4.340 . 0 0 "[ . 1 . 2 .]" 1
268 1 32 GLN H 1 32 GLN HA 2.400 . 3.100 2.891 2.765 2.961 . 0 0 "[ . 1 . 2 .]" 1
269 1 32 GLN H 1 32 GLN HB2 2.800 . 3.800 2.745 2.325 3.685 . 0 0 "[ . 1 . 2 .]" 1
270 1 32 GLN H 1 32 GLN HB3 2.600 . 3.400 2.782 2.434 3.668 0.268 12 0 "[ . 1 . 2 .]" 1
271 1 32 GLN H 1 32 GLN HG2 3.400 . 4.900 3.844 2.012 4.650 . 0 0 "[ . 1 . 2 .]" 1
272 1 32 GLN H 1 32 GLN HG3 3.900 . 5.800 3.930 2.145 4.674 . 0 0 "[ . 1 . 2 .]" 1
273 1 32 GLN HA 1 33 VAL H 2.500 . 3.300 2.395 2.034 3.498 0.198 12 0 "[ . 1 . 2 .]" 1
274 1 32 GLN HB2 1 33 VAL H 4.800 . 6.000 4.090 2.221 4.562 . 0 0 "[ . 1 . 2 .]" 1
275 1 32 GLN HB3 1 33 VAL H 4.100 . 6.000 4.113 2.288 4.570 . 0 0 "[ . 1 . 2 .]" 1
276 1 33 VAL H 1 33 VAL HB 3.000 . 4.200 3.160 2.503 3.864 . 0 0 "[ . 1 . 2 .]" 1
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