NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393339 |
1qk7   |
4410 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qk7
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 279
_Distance_constraint_stats_list.Viol_count 152
_Distance_constraint_stats_list.Viol_total 122.705
_Distance_constraint_stats_list.Viol_max 0.422
_Distance_constraint_stats_list.Viol_rms 0.0104
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0404
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 CYS 0.104 0.092 2 0 "[ . 1 . 2]"
1 3 LEU 0.414 0.092 4 0 "[ . 1 . 2]"
1 4 GLY 0.175 0.035 5 0 "[ . 1 . 2]"
1 5 ASP 0.194 0.041 13 0 "[ . 1 . 2]"
1 6 LYS 0.100 0.042 5 0 "[ . 1 . 2]"
1 7 CYS 0.020 0.020 5 0 "[ . 1 . 2]"
1 8 ASP 0.088 0.027 7 0 "[ . 1 . 2]"
1 9 TYR 0.243 0.107 13 0 "[ . 1 . 2]"
1 10 ASN 0.008 0.008 5 0 "[ . 1 . 2]"
1 11 ASN 0.470 0.107 13 0 "[ . 1 . 2]"
1 12 GLY 0.441 0.060 14 0 "[ . 1 . 2]"
1 13 CYS 0.310 0.060 14 0 "[ . 1 . 2]"
1 14 CYS 0.119 0.092 2 0 "[ . 1 . 2]"
1 15 SER 0.207 0.050 13 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.374 0.061 18 0 "[ . 1 . 2]"
1 18 VAL 0.621 0.201 6 0 "[ . 1 . 2]"
1 19 CYS 0.614 0.201 6 0 "[ . 1 . 2]"
1 20 SER 0.330 0.065 16 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 THR 0.011 0.011 16 0 "[ . 1 . 2]"
1 23 TRP 1.403 0.122 17 0 "[ . 1 . 2]"
1 24 LYS 0.020 0.020 5 0 "[ . 1 . 2]"
1 25 TRP 1.941 0.122 17 0 "[ . 1 . 2]"
1 26 CYS 0.823 0.060 3 0 "[ . 1 . 2]"
1 27 VAL 1.014 0.223 1 0 "[ . 1 . 2]"
1 28 LEU 0.956 0.422 12 0 "[ . 1 . 2]"
1 29 ALA 0.118 0.056 17 0 "[ . 1 . 2]"
1 30 GLY 0.447 0.422 12 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TRP 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 1 GLY QA 1 17 TYR QE 3.000 . 6.400 3.696 2.152 5.197 . 0 0 "[ . 1 . 2]" 1
2 1 2 CYS CB 1 14 CYS SG 2.990 2.490 3.490 3.026 3.020 3.034 . 0 0 "[ . 1 . 2]" 1
3 1 2 CYS QB 1 5 ASP QB 3.000 . 5.000 3.353 2.697 3.687 . 0 0 "[ . 1 . 2]" 1
4 1 2 CYS QB 1 14 CYS QB 3.000 . 5.000 2.724 1.708 4.008 0.092 2 0 "[ . 1 . 2]" 1
5 1 2 CYS SG 1 14 CYS CB 2.990 2.490 3.490 3.026 3.020 3.043 . 0 0 "[ . 1 . 2]" 1
6 1 2 CYS SG 1 14 CYS SG 2.020 . 2.040 2.020 2.019 2.022 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU HA 2.900 . 3.500 2.907 2.845 2.975 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU QB 2.500 . 3.500 2.161 2.022 2.272 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 3 LEU QD 4.200 . 6.600 3.651 3.512 3.746 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU H 1 3 LEU HG 3.600 . 5.000 4.324 3.998 4.446 . 0 0 "[ . 1 . 2]" 1
11 1 3 LEU H 1 4 GLY H 3.600 . 5.000 4.446 4.279 4.613 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 5 ASP H 3.500 . 5.000 4.783 4.452 4.963 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 17 TYR QE 3.800 . 6.200 3.339 2.753 3.846 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 3 LEU QB 2.500 . 3.500 2.444 2.360 2.516 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU QD 3.400 . 6.800 2.722 2.011 2.943 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU HG 3.000 . 3.500 2.303 2.027 2.711 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 4 GLY H 2.500 . 2.700 2.224 2.195 2.280 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 5 ASP H 3.500 . 5.000 3.736 3.528 3.920 . 0 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 17 TYR QD 3.100 . 5.500 3.297 2.837 3.515 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 17 TYR QE 2.600 . 5.000 2.389 1.900 2.874 . 0 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 25 TRP HD1 5.000 . 5.000 3.545 3.111 3.791 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HA 1 27 VAL QG 5.000 . 7.400 4.362 3.942 5.131 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU QB 1 3 LEU QD 2.700 . 5.100 1.826 1.708 1.924 0.092 4 0 "[ . 1 . 2]" 1
24 1 3 LEU QB 1 4 GLY H 3.500 . 4.500 3.902 3.717 3.998 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 17 TYR QD 3.400 . 6.800 4.277 3.968 4.668 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 17 TYR QE 2.400 . 5.800 2.172 1.796 2.747 0.004 13 0 "[ . 1 . 2]" 1
27 1 3 LEU QD 1 4 GLY H 3.600 . 6.000 3.437 2.318 3.996 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU QD 1 17 TYR QD 3.800 . 8.600 3.628 2.888 4.174 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU QD 1 17 TYR QE 3.100 . 7.900 2.083 1.739 2.592 0.061 18 0 "[ . 1 . 2]" 1
30 1 3 LEU QD 1 25 TRP HD1 4.800 . 7.200 3.824 2.985 4.370 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU QD 1 25 TRP HE1 4.300 . 6.700 2.466 2.063 3.233 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU QD 1 27 VAL HA 3.800 . 6.200 2.426 1.744 3.137 0.056 18 0 "[ . 1 . 2]" 1
33 1 3 LEU QD 1 27 VAL HB 3.800 . 6.200 4.271 3.495 4.982 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU QD 1 28 LEU H 4.100 . 6.500 2.409 2.017 2.885 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU HG 1 4 GLY H 3.100 . 3.600 3.217 2.620 3.628 0.028 15 0 "[ . 1 . 2]" 1
36 1 4 GLY H 1 5 ASP H 2.900 . 3.500 2.340 2.090 2.646 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLY H 1 17 TYR QE 4.000 . 6.400 4.482 3.975 4.841 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY H 1 25 TRP QB 3.500 . 4.500 3.689 3.387 3.807 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLY H 1 25 TRP HD1 3.200 . 3.500 2.062 1.843 2.384 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY H 1 25 TRP HE1 4.000 . 5.000 3.374 2.954 3.874 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY H 1 26 CYS H 3.000 . 3.500 3.384 2.956 3.535 0.035 5 0 "[ . 1 . 2]" 1
42 1 4 GLY H 1 26 CYS QB 3.200 . 4.200 3.069 2.534 3.563 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLY QA 1 5 ASP H 3.000 . 4.000 2.881 2.823 2.935 . 0 0 "[ . 1 . 2]" 1
44 1 4 GLY QA 1 25 TRP QB 2.900 . 4.900 3.075 2.589 3.509 . 0 0 "[ . 1 . 2]" 1
45 1 4 GLY QA 1 25 TRP HD1 4.600 . 5.600 2.959 2.056 3.812 . 0 0 "[ . 1 . 2]" 1
46 1 5 ASP H 1 5 ASP HA 2.900 . 3.500 2.860 2.818 2.906 . 0 0 "[ . 1 . 2]" 1
47 1 5 ASP H 1 6 LYS H 5.000 . 5.000 4.578 4.433 4.695 . 0 0 "[ . 1 . 2]" 1
48 1 5 ASP H 1 26 CYS H 3.100 . 3.600 3.587 3.350 3.641 0.041 13 0 "[ . 1 . 2]" 1
49 1 5 ASP H 1 26 CYS QB 3.000 . 4.000 3.074 2.671 3.528 . 0 0 "[ . 1 . 2]" 1
50 1 5 ASP HA 1 5 ASP QB 2.600 . 3.600 2.467 2.369 2.548 . 0 0 "[ . 1 . 2]" 1
51 1 5 ASP HA 1 6 LYS H 2.400 . 2.900 2.235 2.202 2.365 . 0 0 "[ . 1 . 2]" 1
52 1 5 ASP QB 1 6 LYS H 3.000 . 4.000 3.478 3.133 3.673 . 0 0 "[ . 1 . 2]" 1
53 1 5 ASP QB 1 26 CYS H 3.800 . 5.000 3.279 3.018 3.615 . 0 0 "[ . 1 . 2]" 1
54 1 5 ASP O 1 26 CYS H 1.700 . 2.400 1.852 1.756 1.989 . 0 0 "[ . 1 . 2]" 1
55 1 5 ASP O 1 26 CYS N 2.700 2.700 3.400 2.756 2.685 2.871 0.015 12 0 "[ . 1 . 2]" 1
56 1 6 LYS H 1 6 LYS QB 2.800 . 3.800 2.252 1.956 2.615 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS H 1 6 LYS QG 2.900 . 3.900 2.549 1.979 3.533 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS H 1 7 CYS H 5.000 . 5.000 4.659 4.615 4.698 . 0 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 6 LYS QG 3.400 . 4.400 2.667 2.071 3.366 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS HA 1 7 CYS H 2.600 . 3.100 2.275 2.210 2.382 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS HA 1 25 TRP HA 2.900 . 3.500 2.137 1.890 2.382 . 0 0 "[ . 1 . 2]" 1
62 1 6 LYS HA 1 25 TRP QB 3.000 . 4.000 2.818 2.121 3.255 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS HA 1 26 CYS H 3.400 . 3.900 3.822 3.594 3.942 0.042 5 0 "[ . 1 . 2]" 1
64 1 6 LYS QB 1 7 CYS H 3.800 . 5.000 3.032 2.870 3.333 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS QB 1 25 TRP HA 4.000 . 5.000 4.166 3.751 4.426 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QG 1 7 CYS H 4.100 . 5.100 3.771 2.854 4.237 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS CB 1 19 CYS SG 2.990 2.490 3.490 3.025 3.016 3.032 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS H 1 7 CYS QB 3.100 . 4.100 2.480 1.970 3.113 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS H 1 24 LYS QB 4.100 . 5.100 3.652 3.079 4.318 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS H 1 24 LYS O 1.700 . 2.400 2.109 1.922 2.420 0.020 5 0 "[ . 1 . 2]" 1
71 1 7 CYS H 1 25 TRP HA 3.100 . 3.600 2.637 1.940 3.132 . 0 0 "[ . 1 . 2]" 1
72 1 7 CYS H 1 25 TRP QB 3.600 . 5.000 4.136 3.473 4.553 . 0 0 "[ . 1 . 2]" 1
73 1 7 CYS HA 1 8 ASP H 2.700 . 3.700 2.377 2.205 3.099 . 0 0 "[ . 1 . 2]" 1
74 1 7 CYS QB 1 8 ASP H 3.000 . 4.000 3.161 2.246 3.684 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS N 1 24 LYS O 2.700 2.700 3.400 3.045 2.873 3.308 . 0 0 "[ . 1 . 2]" 1
76 1 7 CYS SG 1 19 CYS CB 2.990 2.490 3.490 3.027 3.019 3.039 . 0 0 "[ . 1 . 2]" 1
77 1 7 CYS SG 1 19 CYS SG 2.020 . 2.040 2.020 2.018 2.022 . 0 0 "[ . 1 . 2]" 1
78 1 8 ASP H 1 8 ASP HA 3.000 . 3.500 2.986 2.926 3.005 . 0 0 "[ . 1 . 2]" 1
79 1 8 ASP H 1 8 ASP QB 3.100 . 4.100 2.432 2.087 3.060 . 0 0 "[ . 1 . 2]" 1
80 1 8 ASP H 1 9 TYR H 2.800 . 3.500 2.433 2.071 2.974 . 0 0 "[ . 1 . 2]" 1
81 1 8 ASP H 1 11 ASN H 3.300 . 3.800 3.460 2.353 3.827 0.027 7 0 "[ . 1 . 2]" 1
82 1 8 ASP H 1 11 ASN QB 5.000 . 6.000 3.816 2.156 5.457 . 0 0 "[ . 1 . 2]" 1
83 1 8 ASP HA 1 8 ASP QB 2.600 . 3.600 2.450 2.200 2.552 . 0 0 "[ . 1 . 2]" 1
84 1 8 ASP HA 1 9 TYR H 3.200 . 3.700 3.592 3.557 3.607 . 0 0 "[ . 1 . 2]" 1
85 1 8 ASP QB 1 9 TYR QD 3.000 . 6.400 4.242 2.160 5.134 . 0 0 "[ . 1 . 2]" 1
86 1 9 TYR H 1 9 TYR HA 3.000 . 3.500 2.956 2.875 3.003 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR H 1 9 TYR QD 2.600 . 5.000 4.048 2.715 4.468 . 0 0 "[ . 1 . 2]" 1
88 1 9 TYR H 1 10 ASN H 2.700 . 3.500 2.399 2.225 2.860 . 0 0 "[ . 1 . 2]" 1
89 1 9 TYR HA 1 9 TYR QD 2.900 . 5.300 2.594 1.875 3.031 . 0 0 "[ . 1 . 2]" 1
90 1 9 TYR HA 1 10 ASN H 5.000 . 5.000 3.592 3.576 3.602 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR HA 1 11 ASN H 5.000 . 5.000 4.660 4.058 5.107 0.107 13 0 "[ . 1 . 2]" 1
92 1 9 TYR QB 1 9 TYR QD 2.600 . 6.000 2.165 2.149 2.253 . 0 0 "[ . 1 . 2]" 1
93 1 9 TYR QB 1 10 ASN H 2.700 . 3.700 2.184 2.012 2.411 . 0 0 "[ . 1 . 2]" 1
94 1 9 TYR QB 1 11 ASN H 3.800 . 5.000 4.243 3.682 4.537 . 0 0 "[ . 1 . 2]" 1
95 1 10 ASN H 1 10 ASN QB 3.100 . 4.100 2.328 2.068 2.929 . 0 0 "[ . 1 . 2]" 1
96 1 10 ASN H 1 11 ASN H 2.600 . 3.100 2.508 1.922 3.108 0.008 5 0 "[ . 1 . 2]" 1
97 1 10 ASN HA 1 11 ASN H 3.500 . 4.000 3.191 2.677 3.558 . 0 0 "[ . 1 . 2]" 1
98 1 10 ASN QB 1 11 ASN H 3.500 . 4.500 3.438 2.613 4.072 . 0 0 "[ . 1 . 2]" 1
99 1 11 ASN H 1 11 ASN QB 2.600 . 3.600 2.483 1.963 3.221 . 0 0 "[ . 1 . 2]" 1
100 1 11 ASN H 1 12 GLY H 2.600 . 3.100 2.805 2.461 3.155 0.055 13 0 "[ . 1 . 2]" 1
101 1 11 ASN HA 1 12 GLY H 3.500 . 4.000 3.291 2.368 3.603 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASN QB 1 11 ASN QD 2.900 . 4.900 2.274 2.180 2.467 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASN QB 1 12 GLY H 3.400 . 4.400 2.748 1.971 4.047 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLY H 1 13 CYS H 2.500 . 3.500 3.194 2.619 3.560 0.060 14 0 "[ . 1 . 2]" 1
105 1 12 GLY QA 1 13 CYS H 2.600 . 3.600 2.421 2.175 2.784 . 0 0 "[ . 1 . 2]" 1
106 1 13 CYS CB 1 26 CYS SG 2.990 2.490 3.490 3.028 3.019 3.037 . 0 0 "[ . 1 . 2]" 1
107 1 13 CYS H 1 13 CYS QB 2.600 . 3.600 2.302 1.996 2.542 . 0 0 "[ . 1 . 2]" 1
108 1 13 CYS QB 1 14 CYS H 3.000 . 4.000 2.374 1.951 3.002 . 0 0 "[ . 1 . 2]" 1
109 1 13 CYS QB 1 17 TYR HA 4.000 . 5.000 4.259 4.095 4.542 . 0 0 "[ . 1 . 2]" 1
110 1 13 CYS QB 1 17 TYR QD 3.200 . 6.600 3.822 3.139 4.312 . 0 0 "[ . 1 . 2]" 1
111 1 13 CYS QB 1 26 CYS QB 2.500 . 4.500 2.467 1.979 3.499 . 0 0 "[ . 1 . 2]" 1
112 1 13 CYS SG 1 26 CYS CB 2.990 2.490 3.490 3.028 3.017 3.041 . 0 0 "[ . 1 . 2]" 1
113 1 13 CYS SG 1 26 CYS SG 2.020 . 2.040 2.020 2.018 2.022 . 0 0 "[ . 1 . 2]" 1
114 1 14 CYS H 1 14 CYS QB 3.100 . 4.100 2.218 1.978 2.530 . 0 0 "[ . 1 . 2]" 1
115 1 14 CYS H 1 17 TYR QB 4.000 . 5.000 2.616 2.125 3.384 . 0 0 "[ . 1 . 2]" 1
116 1 14 CYS H 1 26 CYS QB 5.000 . 6.000 3.600 2.966 4.897 . 0 0 "[ . 1 . 2]" 1
117 1 14 CYS HA 1 15 SER H 2.700 . 2.700 2.499 2.370 2.594 . 0 0 "[ . 1 . 2]" 1
118 1 14 CYS QB 1 15 SER H 2.700 . 3.700 2.496 2.222 2.949 . 0 0 "[ . 1 . 2]" 1
119 1 14 CYS O 1 17 TYR H 1.700 . 2.400 2.181 1.930 2.415 0.015 7 0 "[ . 1 . 2]" 1
120 1 14 CYS O 1 17 TYR N 2.700 2.700 3.400 3.043 2.874 3.150 . 0 0 "[ . 1 . 2]" 1
121 1 15 SER H 1 15 SER HA 3.000 . 3.500 2.862 2.823 2.891 . 0 0 "[ . 1 . 2]" 1
122 1 15 SER H 1 15 SER QB 2.500 . 3.500 2.293 1.945 2.556 . 0 0 "[ . 1 . 2]" 1
123 1 15 SER HA 1 15 SER QB 2.600 . 3.600 2.361 2.201 2.549 . 0 0 "[ . 1 . 2]" 1
124 1 15 SER HA 1 16 GLY H 2.400 . 2.700 2.211 2.202 2.248 . 0 0 "[ . 1 . 2]" 1
125 1 15 SER HA 1 16 GLY QA 3.500 . 4.500 3.999 3.983 4.039 . 0 0 "[ . 1 . 2]" 1
126 1 15 SER HA 1 17 TYR H 3.100 . 3.600 3.563 3.323 3.650 0.050 13 0 "[ . 1 . 2]" 1
127 1 15 SER QB 1 16 GLY H 3.100 . 4.100 3.446 3.084 3.600 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLY H 1 17 TYR H 2.800 . 3.500 2.461 2.163 2.734 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLY QA 1 17 TYR H 3.200 . 4.200 2.927 2.860 2.963 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLY QA 1 17 TYR QD 3.200 . 6.600 3.610 3.029 4.132 . 0 0 "[ . 1 . 2]" 1
131 1 16 GLY QA 1 29 ALA MB 5.000 . 6.000 3.385 2.528 4.389 . 0 0 "[ . 1 . 2]" 1
132 1 17 TYR H 1 17 TYR QB 2.600 . 3.600 2.209 2.043 2.457 . 0 0 "[ . 1 . 2]" 1
133 1 17 TYR H 1 17 TYR QD 2.700 . 5.100 2.999 2.631 3.386 . 0 0 "[ . 1 . 2]" 1
134 1 17 TYR H 1 17 TYR QE 3.500 . 5.900 5.200 4.856 5.441 . 0 0 "[ . 1 . 2]" 1
135 1 17 TYR H 1 18 VAL H 3.600 . 5.000 4.506 4.319 4.626 . 0 0 "[ . 1 . 2]" 1
136 1 17 TYR HA 1 17 TYR QD 3.100 . 5.500 2.852 2.575 3.005 . 0 0 "[ . 1 . 2]" 1
137 1 17 TYR HA 1 18 VAL H 2.800 . 3.500 2.262 2.198 2.365 . 0 0 "[ . 1 . 2]" 1
138 1 17 TYR HA 1 18 VAL QG 4.700 . 7.100 3.220 3.048 3.434 . 0 0 "[ . 1 . 2]" 1
139 1 17 TYR HA 1 28 LEU HA 2.600 . 3.100 2.793 2.332 3.101 0.001 14 0 "[ . 1 . 2]" 1
140 1 17 TYR HA 1 28 LEU QD 5.000 . 7.400 4.057 2.997 5.237 . 0 0 "[ . 1 . 2]" 1
141 1 17 TYR HA 1 29 ALA H 3.000 . 3.500 3.170 2.201 3.556 0.056 17 0 "[ . 1 . 2]" 1
142 1 17 TYR HA 1 29 ALA MB 4.500 . 5.500 3.691 2.798 4.337 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR QB 1 18 VAL H 3.100 . 4.100 3.174 2.856 3.529 . 0 0 "[ . 1 . 2]" 1
144 1 17 TYR QB 1 26 CYS QB 2.500 . 4.500 2.216 1.895 2.984 . 0 0 "[ . 1 . 2]" 1
145 1 17 TYR QB 1 27 VAL H 5.000 . 6.000 3.995 3.331 4.578 . 0 0 "[ . 1 . 2]" 1
146 1 17 TYR QD 1 18 VAL H 2.900 . 5.300 3.702 3.334 4.315 . 0 0 "[ . 1 . 2]" 1
147 1 17 TYR QD 1 26 CYS QB 2.800 . 6.200 2.526 1.880 3.092 . 0 0 "[ . 1 . 2]" 1
148 1 17 TYR QD 1 27 VAL HA 3.100 . 5.500 3.157 2.677 3.883 . 0 0 "[ . 1 . 2]" 1
149 1 17 TYR QD 1 28 LEU H 3.100 . 5.500 4.000 3.424 4.815 . 0 0 "[ . 1 . 2]" 1
150 1 17 TYR QD 1 28 LEU QD 3.900 . 7.300 3.760 3.096 4.722 . 0 0 "[ . 1 . 2]" 1
151 1 17 TYR QE 1 26 CYS QB 3.200 . 6.600 4.125 3.408 4.591 . 0 0 "[ . 1 . 2]" 1
152 1 17 TYR QE 1 27 VAL HA 3.800 . 6.200 3.245 2.863 3.983 . 0 0 "[ . 1 . 2]" 1
153 1 17 TYR QE 1 28 LEU H 3.200 . 5.600 3.499 2.794 4.394 . 0 0 "[ . 1 . 2]" 1
154 1 17 TYR QE 1 28 LEU QD 3.600 . 7.000 2.939 2.334 3.630 . 0 0 "[ . 1 . 2]" 1
155 1 18 VAL H 1 18 VAL QG 3.500 . 5.900 2.105 1.870 2.528 . 0 0 "[ . 1 . 2]" 1
156 1 18 VAL H 1 27 VAL O 1.700 . 2.400 2.003 1.829 2.359 . 0 0 "[ . 1 . 2]" 1
157 1 18 VAL H 1 28 LEU HA 5.000 . 5.000 4.010 3.444 4.476 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL H 1 28 LEU HG 6.000 . 8.400 6.242 5.585 7.759 . 0 0 "[ . 1 . 2]" 1
159 1 18 VAL H 1 29 ALA H 4.200 . 5.000 4.095 3.518 4.584 . 0 0 "[ . 1 . 2]" 1
160 1 18 VAL H 1 29 ALA HA 5.000 . 5.000 4.535 3.948 4.981 . 0 0 "[ . 1 . 2]" 1
161 1 18 VAL H 1 29 ALA MB 5.000 . 6.000 3.838 2.789 4.452 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL HA 1 18 VAL HB 3.000 . 3.500 2.730 2.357 3.039 . 0 0 "[ . 1 . 2]" 1
163 1 18 VAL HA 1 19 CYS H 2.800 . 3.500 2.382 2.240 2.511 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL HB 1 19 CYS H 2.900 . 3.500 3.215 2.478 3.701 0.201 6 0 "[ . 1 . 2]" 1
165 1 18 VAL QG 1 19 CYS H 4.200 . 6.600 2.705 1.905 3.519 . 0 0 "[ . 1 . 2]" 1
166 1 18 VAL QG 1 29 ALA H 5.000 . 7.400 3.380 2.659 3.773 . 0 0 "[ . 1 . 2]" 1
167 1 18 VAL QG 1 29 ALA HA 3.600 . 6.000 2.693 2.146 3.674 . 0 0 "[ . 1 . 2]" 1
168 1 18 VAL QG 1 29 ALA MB 3.500 . 6.900 2.071 1.794 2.604 0.006 9 0 "[ . 1 . 2]" 1
169 1 18 VAL QG 1 30 GLY H 5.200 . 7.600 4.350 3.401 5.023 . 0 0 "[ . 1 . 2]" 1
170 1 18 VAL N 1 27 VAL O 2.700 2.700 3.400 2.915 2.776 3.208 . 0 0 "[ . 1 . 2]" 1
171 1 18 VAL O 1 27 VAL H 1.700 . 2.400 2.029 1.780 2.292 . 0 0 "[ . 1 . 2]" 1
172 1 18 VAL O 1 27 VAL N 2.700 2.700 3.400 2.914 2.708 3.117 . 0 0 "[ . 1 . 2]" 1
173 1 19 CYS HA 1 20 SER H 3.000 . 3.500 2.220 2.198 2.256 . 0 0 "[ . 1 . 2]" 1
174 1 19 CYS HA 1 26 CYS HA 3.000 . 3.500 2.772 2.262 3.235 . 0 0 "[ . 1 . 2]" 1
175 1 19 CYS HA 1 27 VAL H 3.700 . 5.000 3.780 3.517 4.063 . 0 0 "[ . 1 . 2]" 1
176 1 19 CYS QB 1 20 SER H 3.500 . 4.500 3.776 3.474 4.012 . 0 0 "[ . 1 . 2]" 1
177 1 20 SER H 1 20 SER HA 2.900 . 3.500 2.930 2.877 2.965 . 0 0 "[ . 1 . 2]" 1
178 1 20 SER H 1 20 SER QB 2.900 . 3.900 2.087 1.940 2.508 . 0 0 "[ . 1 . 2]" 1
179 1 20 SER H 1 25 TRP H 3.000 . 3.500 3.054 2.624 3.544 0.044 5 0 "[ . 1 . 2]" 1
180 1 20 SER H 1 25 TRP O 1.700 . 2.400 2.145 1.990 2.362 . 0 0 "[ . 1 . 2]" 1
181 1 20 SER H 1 26 CYS HA 3.500 . 4.000 3.570 2.924 4.060 0.060 3 0 "[ . 1 . 2]" 1
182 1 20 SER H 1 27 VAL QG 2.800 . 5.200 2.677 2.349 3.021 . 0 0 "[ . 1 . 2]" 1
183 1 20 SER HA 1 20 SER QB 2.300 . 3.300 2.454 2.192 2.550 . 0 0 "[ . 1 . 2]" 1
184 1 20 SER HA 1 21 ARG H 2.600 . 3.100 2.288 2.204 2.446 . 0 0 "[ . 1 . 2]" 1
185 1 20 SER HA 1 22 THR H 3.700 . 5.000 3.907 3.438 4.492 . 0 0 "[ . 1 . 2]" 1
186 1 20 SER HA 1 24 LYS H 5.000 . 6.000 4.941 4.462 5.464 . 0 0 "[ . 1 . 2]" 1
187 1 20 SER HA 1 25 TRP H 3.500 . 5.000 4.975 4.776 5.065 0.065 16 0 "[ . 1 . 2]" 1
188 1 20 SER HA 1 27 VAL QG 3.500 . 5.900 3.540 2.583 3.954 . 0 0 "[ . 1 . 2]" 1
189 1 20 SER QB 1 24 LYS H 3.000 . 4.000 3.060 2.084 3.666 . 0 0 "[ . 1 . 2]" 1
190 1 20 SER QB 1 25 TRP H 3.000 . 4.000 2.673 2.213 3.542 . 0 0 "[ . 1 . 2]" 1
191 1 20 SER QB 1 27 VAL H 5.000 . 6.000 3.795 3.035 5.081 . 0 0 "[ . 1 . 2]" 1
192 1 20 SER N 1 25 TRP O 2.700 2.700 3.400 3.093 2.959 3.306 . 0 0 "[ . 1 . 2]" 1
193 1 21 ARG H 1 21 ARG QB 2.600 . 3.600 2.179 1.968 2.508 . 0 0 "[ . 1 . 2]" 1
194 1 21 ARG H 1 21 ARG QG 3.100 . 4.100 2.990 1.957 3.776 . 0 0 "[ . 1 . 2]" 1
195 1 21 ARG H 1 22 THR H 2.900 . 3.500 2.431 2.332 2.651 . 0 0 "[ . 1 . 2]" 1
196 1 21 ARG HA 1 21 ARG QB 2.500 . 3.500 2.432 2.198 2.551 . 0 0 "[ . 1 . 2]" 1
197 1 21 ARG HA 1 21 ARG QG 2.900 . 3.900 2.375 1.915 3.324 . 0 0 "[ . 1 . 2]" 1
198 1 21 ARG HA 1 22 THR H 3.100 . 3.600 3.483 3.254 3.592 . 0 0 "[ . 1 . 2]" 1
199 1 21 ARG HA 1 24 LYS H 4.000 . 5.000 3.719 3.232 4.195 . 0 0 "[ . 1 . 2]" 1
200 1 21 ARG QB 1 22 THR H 3.100 . 4.100 3.056 2.379 3.745 . 0 0 "[ . 1 . 2]" 1
201 1 21 ARG QD 1 21 ARG QH 2.700 . 6.100 2.410 2.057 2.617 . 0 0 "[ . 1 . 2]" 1
202 1 22 THR H 1 22 THR HA 3.000 . 3.500 2.910 2.819 2.987 . 0 0 "[ . 1 . 2]" 1
203 1 22 THR H 1 22 THR HB 2.900 . 3.500 2.481 2.274 2.628 . 0 0 "[ . 1 . 2]" 1
204 1 22 THR H 1 22 THR MG 3.700 . 5.000 3.722 3.687 3.784 . 0 0 "[ . 1 . 2]" 1
205 1 22 THR HA 1 22 THR MG 3.400 . 3.900 2.359 2.213 2.485 . 0 0 "[ . 1 . 2]" 1
206 1 22 THR HA 1 23 TRP H 5.000 . 6.000 3.587 3.560 3.600 . 0 0 "[ . 1 . 2]" 1
207 1 22 THR HA 1 24 LYS H 3.800 . 5.000 4.422 4.219 4.705 . 0 0 "[ . 1 . 2]" 1
208 1 22 THR HB 1 23 TRP H 2.700 . 2.700 2.228 1.836 2.577 . 0 0 "[ . 1 . 2]" 1
209 1 22 THR HB 1 23 TRP HE1 4.000 . 4.500 4.073 3.706 4.511 0.011 16 0 "[ . 1 . 2]" 1
210 1 22 THR MG 1 23 TRP H 3.400 . 4.400 3.238 2.588 3.537 . 0 0 "[ . 1 . 2]" 1
211 1 22 THR MG 1 23 TRP HA 4.200 . 5.200 3.743 3.367 4.021 . 0 0 "[ . 1 . 2]" 1
212 1 22 THR MG 1 23 TRP HD1 5.000 . 6.000 4.472 3.433 4.980 . 0 0 "[ . 1 . 2]" 1
213 1 22 THR MG 1 23 TRP HE1 4.500 . 5.500 3.706 2.777 4.312 . 0 0 "[ . 1 . 2]" 1
214 1 22 THR MG 1 23 TRP HZ2 3.800 . 5.000 3.194 2.889 3.726 . 0 0 "[ . 1 . 2]" 1
215 1 23 TRP H 1 23 TRP HA 2.600 . 3.100 2.974 2.931 2.996 . 0 0 "[ . 1 . 2]" 1
216 1 23 TRP H 1 23 TRP QB 2.600 . 3.600 2.547 2.358 2.688 . 0 0 "[ . 1 . 2]" 1
217 1 23 TRP H 1 24 LYS H 3.000 . 3.500 2.351 2.209 2.577 . 0 0 "[ . 1 . 2]" 1
218 1 23 TRP HA 1 23 TRP QB 2.600 . 3.600 2.305 2.255 2.368 . 0 0 "[ . 1 . 2]" 1
219 1 23 TRP HA 1 23 TRP HD1 5.000 . 5.000 4.763 4.653 4.810 . 0 0 "[ . 1 . 2]" 1
220 1 23 TRP HA 1 23 TRP HE3 3.000 . 3.500 2.068 1.755 2.338 0.045 16 0 "[ . 1 . 2]" 1
221 1 23 TRP HA 1 24 LYS H 3.700 . 5.000 3.401 3.276 3.546 . 0 0 "[ . 1 . 2]" 1
222 1 23 TRP QB 1 23 TRP HD1 3.200 . 4.200 2.478 2.464 2.499 . 0 0 "[ . 1 . 2]" 1
223 1 23 TRP QB 1 23 TRP HE1 4.500 . 5.500 4.359 4.349 4.373 . 0 0 "[ . 1 . 2]" 1
224 1 23 TRP QB 1 23 TRP HE3 3.500 . 4.500 3.104 2.965 3.234 . 0 0 "[ . 1 . 2]" 1
225 1 23 TRP QB 1 24 LYS H 3.800 . 5.000 3.193 2.684 3.492 . 0 0 "[ . 1 . 2]" 1
226 1 23 TRP QB 1 25 TRP H 3.500 . 5.000 3.085 2.420 4.019 . 0 0 "[ . 1 . 2]" 1
227 1 23 TRP QB 1 25 TRP HD1 5.000 . 6.000 5.059 4.465 5.243 . 0 0 "[ . 1 . 2]" 1
228 1 23 TRP QB 1 25 TRP HE3 4.100 . 5.100 2.124 1.728 2.986 0.072 17 0 "[ . 1 . 2]" 1
229 1 23 TRP QB 1 25 TRP HZ2 5.000 . 6.000 4.663 3.390 5.143 . 0 0 "[ . 1 . 2]" 1
230 1 23 TRP HD1 1 25 TRP HE1 5.000 . 5.000 5.062 5.016 5.122 0.122 17 0 "[ . 1 . 2]" 1
231 1 24 LYS H 1 24 LYS HA 2.500 . 3.000 2.348 2.340 2.360 . 0 0 "[ . 1 . 2]" 1
232 1 24 LYS H 1 24 LYS QB 3.500 . 5.000 3.138 2.897 3.388 . 0 0 "[ . 1 . 2]" 1
233 1 24 LYS H 1 24 LYS QD 4.000 . 5.000 4.035 2.837 4.576 . 0 0 "[ . 1 . 2]" 1
234 1 24 LYS H 1 24 LYS QG 3.200 . 4.200 2.992 2.445 3.626 . 0 0 "[ . 1 . 2]" 1
235 1 24 LYS H 1 25 TRP H 2.900 . 3.500 2.863 2.680 3.135 . 0 0 "[ . 1 . 2]" 1
236 1 24 LYS HA 1 24 LYS QD 3.400 . 4.400 3.307 1.835 4.015 . 0 0 "[ . 1 . 2]" 1
237 1 24 LYS HA 1 24 LYS QG 3.100 . 4.100 2.231 1.911 2.988 . 0 0 "[ . 1 . 2]" 1
238 1 24 LYS HA 1 25 TRP H 2.900 . 3.500 2.899 2.544 3.238 . 0 0 "[ . 1 . 2]" 1
239 1 24 LYS QB 1 24 LYS QD 2.700 . 4.700 2.123 1.908 2.641 . 0 0 "[ . 1 . 2]" 1
240 1 24 LYS QB 1 25 TRP H 5.000 . 6.000 3.834 3.596 3.993 . 0 0 "[ . 1 . 2]" 1
241 1 25 TRP H 1 25 TRP QB 3.700 . 5.000 2.816 2.523 3.019 . 0 0 "[ . 1 . 2]" 1
242 1 25 TRP H 1 26 CYS H 5.000 . 5.000 4.466 4.428 4.538 . 0 0 "[ . 1 . 2]" 1
243 1 25 TRP HA 1 25 TRP QB 2.500 . 3.500 2.181 2.172 2.196 . 0 0 "[ . 1 . 2]" 1
244 1 25 TRP HA 1 25 TRP HD1 4.400 . 5.000 3.936 3.629 4.429 . 0 0 "[ . 1 . 2]" 1
245 1 25 TRP HA 1 25 TRP HE3 4.600 . 5.100 4.793 4.201 5.118 0.018 6 0 "[ . 1 . 2]" 1
246 1 25 TRP HA 1 26 CYS H 2.700 . 2.700 2.459 2.336 2.587 . 0 0 "[ . 1 . 2]" 1
247 1 25 TRP QB 1 25 TRP HE3 3.400 . 4.400 2.585 2.430 2.908 . 0 0 "[ . 1 . 2]" 1
248 1 25 TRP QB 1 26 CYS H 2.900 . 3.900 2.807 2.508 3.095 . 0 0 "[ . 1 . 2]" 1
249 1 25 TRP HD1 1 26 CYS H 3.500 . 4.000 2.648 2.348 3.083 . 0 0 "[ . 1 . 2]" 1
250 1 25 TRP HD1 1 27 VAL QG 4.000 . 6.400 3.209 2.449 4.816 . 0 0 "[ . 1 . 2]" 1
251 1 25 TRP HE1 1 26 CYS H 4.500 . 5.000 5.000 4.858 5.041 0.041 14 0 "[ . 1 . 2]" 1
252 1 25 TRP HE1 1 27 VAL QG 4.500 . 6.900 2.403 1.991 3.581 . 0 0 "[ . 1 . 2]" 1
253 1 25 TRP HZ3 1 27 VAL QG 4.000 . 6.400 4.361 3.440 4.807 . 0 0 "[ . 1 . 2]" 1
254 1 26 CYS H 1 26 CYS QB 3.000 . 4.000 2.311 1.976 2.462 . 0 0 "[ . 1 . 2]" 1
255 1 26 CYS H 1 27 VAL H 3.500 . 5.000 4.452 4.294 4.613 . 0 0 "[ . 1 . 2]" 1
256 1 26 CYS H 1 27 VAL QG 5.000 . 7.400 4.223 3.889 4.887 . 0 0 "[ . 1 . 2]" 1
257 1 26 CYS HA 1 26 CYS QB 2.600 . 3.600 2.396 2.339 2.537 . 0 0 "[ . 1 . 2]" 1
258 1 26 CYS HA 1 27 VAL H 2.600 . 3.100 2.221 2.180 2.254 . 0 0 "[ . 1 . 2]" 1
259 1 26 CYS HA 1 27 VAL QG 4.000 . 6.400 3.381 3.113 3.512 . 0 0 "[ . 1 . 2]" 1
260 1 26 CYS QB 1 27 VAL H 3.000 . 4.000 3.529 3.115 3.699 . 0 0 "[ . 1 . 2]" 1
261 1 27 VAL H 1 27 VAL HB 3.500 . 3.500 2.978 2.566 3.644 0.144 20 0 "[ . 1 . 2]" 1
262 1 27 VAL H 1 27 VAL QG 3.200 . 5.600 2.119 1.805 2.538 . 0 0 "[ . 1 . 2]" 1
263 1 27 VAL H 1 28 LEU HG 6.000 . 8.400 7.378 6.243 8.397 . 0 0 "[ . 1 . 2]" 1
264 1 27 VAL HA 1 28 LEU H 3.800 . 5.000 2.407 2.264 2.540 . 0 0 "[ . 1 . 2]" 1
265 1 27 VAL HB 1 28 LEU H 2.900 . 3.500 3.353 2.839 3.723 0.223 1 0 "[ . 1 . 2]" 1
266 1 27 VAL QG 1 28 LEU H 4.400 . 6.800 2.288 1.850 3.471 . 0 0 "[ . 1 . 2]" 1
267 1 28 LEU H 1 28 LEU QB 2.800 . 3.800 2.094 1.945 2.433 . 0 0 "[ . 1 . 2]" 1
268 1 28 LEU H 1 28 LEU QD 3.100 . 5.500 3.459 2.457 3.673 . 0 0 "[ . 1 . 2]" 1
269 1 28 LEU HA 1 29 ALA H 2.500 . 3.000 2.246 2.207 2.314 . 0 0 "[ . 1 . 2]" 1
270 1 28 LEU QB 1 29 ALA H 3.500 . 4.500 3.569 2.966 3.874 . 0 0 "[ . 1 . 2]" 1
271 1 28 LEU QB 1 30 GLY H 5.000 . 6.000 4.696 2.608 6.422 0.422 12 0 "[ . 1 . 2]" 1
272 1 28 LEU QD 1 29 ALA H 4.400 . 6.800 2.844 2.069 3.455 . 0 0 "[ . 1 . 2]" 1
273 1 29 ALA H 1 29 ALA HA 2.900 . 3.500 2.912 2.849 2.994 . 0 0 "[ . 1 . 2]" 1
274 1 29 ALA HA 1 30 GLY H 2.900 . 3.500 2.419 2.202 3.526 0.026 3 0 "[ . 1 . 2]" 1
275 1 29 ALA MB 1 30 GLY H 4.100 . 5.100 3.313 2.505 3.743 . 0 0 "[ . 1 . 2]" 1
276 1 30 GLY H 1 31 PRO QD 4.300 . 5.300 4.194 2.147 5.010 . 0 0 "[ . 1 . 2]" 1
277 1 30 GLY QA 1 31 PRO QD 2.800 . 4.800 2.822 1.935 3.696 . 0 0 "[ . 1 . 2]" 1
278 1 31 PRO HA 1 32 TRP H 3.100 . 3.600 2.509 2.228 3.544 . 0 0 "[ . 1 . 2]" 1
279 1 31 PRO QB 1 32 TRP H 4.100 . 5.100 2.955 1.976 3.932 . 0 0 "[ . 1 . 2]" 1
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