NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559791 |
2lzr   |
18770 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lzr
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 482
_Distance_constraint_stats_list.Viol_count 914
_Distance_constraint_stats_list.Viol_total 1155.541
_Distance_constraint_stats_list.Viol_max 0.586
_Distance_constraint_stats_list.Viol_rms 0.0648
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.1264
_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 5 SER 2.626 0.396 9 0 "[ . 1]"
1 6 ILE 5.807 0.188 4 0 "[ . 1]"
1 7 TRP 5.037 0.235 8 0 "[ . 1]"
1 8 GLN 6.464 0.396 9 0 "[ . 1]"
1 9 LEU 3.193 0.289 7 0 "[ . 1]"
1 10 LEU 3.100 0.235 8 0 "[ . 1]"
1 11 ILE 2.201 0.180 7 0 "[ . 1]"
1 12 ILE 7.152 0.314 1 0 "[ . 1]"
1 13 ALA 1.263 0.130 6 0 "[ . 1]"
1 14 VAL 0.593 0.096 7 0 "[ . 1]"
1 15 ILE 4.717 0.215 6 0 "[ . 1]"
1 16 VAL 5.992 0.215 6 0 "[ . 1]"
1 17 VAL 6.007 0.279 2 0 "[ . 1]"
1 18 LEU 3.606 0.213 4 0 "[ . 1]"
1 19 LEU 3.040 0.213 4 0 "[ . 1]"
1 20 PHE 2.519 0.126 6 0 "[ . 1]"
1 21 GLY 5.615 0.217 5 0 "[ . 1]"
1 22 PRO 8.662 0.358 9 0 "[ . 1]"
1 23 LYS 3.062 0.309 2 0 "[ . 1]"
1 24 LYS 6.331 0.398 9 0 "[ . 1]"
1 25 LEU 6.269 0.309 8 0 "[ . 1]"
1 26 GLY 3.967 0.309 8 0 "[ . 1]"
1 27 SER 2.906 0.241 2 0 "[ . 1]"
1 28 ILE 5.919 0.241 2 0 "[ . 1]"
1 29 GLY 5.202 0.190 10 0 "[ . 1]"
1 30 SER 3.962 0.303 10 0 "[ . 1]"
1 31 ASP 0.826 0.176 1 0 "[ . 1]"
1 32 LEU 6.469 0.348 2 0 "[ . 1]"
1 33 GLY 5.466 0.348 2 0 "[ . 1]"
1 34 ALA 3.966 0.309 7 0 "[ . 1]"
1 35 SER 4.624 0.316 6 0 "[ . 1]"
1 36 ILE 8.127 0.257 10 0 "[ . 1]"
1 37 LYS 4.634 0.153 4 0 "[ . 1]"
1 38 GLY 2.974 0.296 7 0 "[ . 1]"
1 39 PHE 3.080 0.257 5 0 "[ . 1]"
1 40 LYS 2.060 0.197 10 0 "[ . 1]"
1 41 LYS 5.199 0.238 9 0 "[ . 1]"
1 42 ALA 10.654 0.460 5 0 "[ . 1]"
1 43 MET 9.275 0.562 7 1 "[ . + 1]"
1 44 SER 5.260 0.562 7 1 "[ . + 1]"
1 45 ASP 3.475 0.258 8 0 "[ . 1]"
1 46 ASP 6.223 0.586 7 1 "[ . + 1]"
1 47 GLU 8.144 0.586 7 2 "[ - + 1]"
1 48 PRO 0.985 0.230 10 0 "[ . 1]"
1 49 LYS 0.000 0.000 . 0 "[ . 1]"
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 5 SER H 1 5 SER QB 3.650 2.150 5.150 2.253 2.217 2.327 . 0 0 "[ . 1]" 1
2 1 5 SER H 1 5 SER HG 3.650 2.150 5.150 4.337 3.882 4.495 . 0 0 "[ . 1]" 1
3 1 5 SER H 1 6 ILE H 4.350 2.850 5.850 4.554 4.427 4.623 . 0 0 "[ . 1]" 1
4 1 5 SER H 1 8 GLN QB 4.250 2.750 5.750 3.290 2.730 3.601 0.020 9 0 "[ . 1]" 1
5 1 5 SER H 1 8 GLN QG 4.850 3.350 6.350 4.495 3.696 5.386 . 0 0 "[ . 1]" 1
6 1 5 SER HA 1 8 GLN H 3.400 2.650 4.150 4.398 4.308 4.546 0.396 9 0 "[ . 1]" 1
7 1 5 SER QB 1 6 ILE H 3.250 2.500 4.000 3.551 2.529 3.790 . 0 0 "[ . 1]" 1
8 1 5 SER HG 1 6 ILE H 2.700 . 3.450 3.155 2.471 3.475 0.025 9 0 "[ . 1]" 1
9 1 5 SER HG 1 7 TRP H 3.200 2.450 3.950 2.786 2.422 3.204 0.028 9 0 "[ . 1]" 1
10 1 5 SER HG 1 8 GLN H 3.900 3.150 4.650 3.447 3.092 4.067 0.058 9 0 "[ . 1]" 1
11 1 6 ILE H 1 6 ILE HA 2.800 2.050 3.550 2.835 2.826 2.839 . 0 0 "[ . 1]" 1
12 1 6 ILE H 1 6 ILE HB 2.900 2.150 3.650 2.393 2.377 2.407 . 0 0 "[ . 1]" 1
13 1 6 ILE H 1 6 ILE MG 3.150 2.500 3.900 2.356 2.340 2.370 0.160 10 0 "[ . 1]" 1
14 1 6 ILE H 1 7 TRP H 2.950 2.500 3.700 2.610 2.594 2.633 . 0 0 "[ . 1]" 1
15 1 6 ILE H 1 8 GLN H 3.150 2.400 3.900 3.992 3.976 4.015 0.115 9 0 "[ . 1]" 1
16 1 6 ILE HA 1 6 ILE MD 3.400 2.400 4.400 3.696 3.684 3.709 . 0 0 "[ . 1]" 1
17 1 6 ILE HA 1 6 ILE MG 3.000 . 4.000 3.212 3.208 3.215 . 0 0 "[ . 1]" 1
18 1 6 ILE HA 1 7 TRP H 3.400 2.650 4.150 3.524 3.517 3.532 . 0 0 "[ . 1]" 1
19 1 6 ILE HA 1 9 LEU H 3.650 2.900 4.400 3.371 3.279 3.433 . 0 0 "[ . 1]" 1
20 1 6 ILE HA 1 9 LEU MD1 3.300 2.300 4.300 2.755 2.574 2.812 . 0 0 "[ . 1]" 1
21 1 6 ILE HA 1 9 LEU MD2 3.500 2.500 4.500 4.616 4.558 4.688 0.188 4 0 "[ . 1]" 1
22 1 6 ILE HB 1 6 ILE MD 2.800 . 3.800 2.265 2.246 2.300 . 0 0 "[ . 1]" 1
23 1 6 ILE HB 1 6 ILE MG 2.400 . 3.400 2.147 2.143 2.150 . 0 0 "[ . 1]" 1
24 1 6 ILE HB 1 7 TRP H 2.950 2.200 3.700 3.763 3.749 3.787 0.087 5 0 "[ . 1]" 1
25 1 6 ILE MD 1 10 LEU MD1 4.500 3.500 5.500 4.143 3.769 4.535 . 0 0 "[ . 1]" 1
26 1 6 ILE HG12 1 6 ILE MG 3.350 2.350 4.350 2.267 2.247 2.280 0.103 6 0 "[ . 1]" 1
27 1 6 ILE HG13 1 6 ILE MG 2.450 . 3.450 3.194 3.192 3.197 . 0 0 "[ . 1]" 1
28 1 6 ILE MG 1 7 TRP H 3.000 . 4.000 1.944 1.919 1.998 0.081 1 0 "[ . 1]" 1
29 1 6 ILE MG 1 9 LEU MD1 3.900 2.900 4.900 4.797 4.645 5.025 0.125 7 0 "[ . 1]" 1
30 1 6 ILE MG 1 10 LEU H 5.350 4.350 6.350 4.755 4.605 4.857 . 0 0 "[ . 1]" 1
31 1 7 TRP H 1 7 TRP HA 2.750 . 3.500 2.811 2.803 2.818 . 0 0 "[ . 1]" 1
32 1 7 TRP H 1 7 TRP QB 3.050 2.300 3.800 2.139 2.132 2.143 0.168 4 0 "[ . 1]" 1
33 1 7 TRP H 1 8 GLN H 3.250 2.500 3.800 2.666 2.635 2.692 . 0 0 "[ . 1]" 1
34 1 7 TRP H 1 8 GLN QB 4.150 3.400 4.900 4.461 4.434 4.489 . 0 0 "[ . 1]" 1
35 1 7 TRP HA 1 7 TRP HD1 3.400 2.650 4.150 3.836 3.310 4.092 . 0 0 "[ . 1]" 1
36 1 7 TRP HA 1 8 GLN H 3.800 3.050 4.550 3.491 3.478 3.504 . 0 0 "[ . 1]" 1
37 1 7 TRP HA 1 10 LEU H 3.800 3.050 4.550 3.088 3.068 3.110 . 0 0 "[ . 1]" 1
38 1 7 TRP QB 1 8 GLN H 3.550 2.800 4.300 3.007 2.964 3.043 . 0 0 "[ . 1]" 1
39 1 7 TRP QB 1 11 ILE MG 5.100 4.100 6.100 4.670 4.395 4.979 . 0 0 "[ . 1]" 1
40 1 7 TRP HD1 1 10 LEU MD1 3.800 3.050 4.550 4.546 4.477 4.666 0.116 4 0 "[ . 1]" 1
41 1 7 TRP HE3 1 11 ILE MD 4.350 3.350 5.350 4.748 4.074 5.261 . 0 0 "[ . 1]" 1
42 1 7 TRP HZ2 1 10 LEU MD2 3.800 2.800 4.800 4.993 4.926 5.035 0.235 8 0 "[ . 1]" 1
43 1 8 GLN H 1 8 GLN HA 3.150 2.400 3.900 2.851 2.841 2.863 . 0 0 "[ . 1]" 1
44 1 8 GLN H 1 8 GLN QB 2.350 . 3.100 2.244 2.150 2.276 . 0 0 "[ . 1]" 1
45 1 8 GLN H 1 8 GLN QG 3.800 3.050 4.550 3.804 2.847 4.076 0.203 7 0 "[ . 1]" 1
46 1 8 GLN H 1 9 LEU H 2.850 2.450 3.600 2.596 2.581 2.611 . 0 0 "[ . 1]" 1
47 1 8 GLN HA 1 11 ILE H 3.550 2.800 4.300 3.715 3.673 3.780 . 0 0 "[ . 1]" 1
48 1 8 GLN HA 1 12 ILE MD 4.450 3.450 5.450 4.165 4.007 4.478 . 0 0 "[ . 1]" 1
49 1 8 GLN QB 1 12 ILE H 4.350 3.600 5.100 5.322 5.153 5.414 0.314 1 0 "[ . 1]" 1
50 1 8 GLN QB 1 12 ILE MD 4.550 3.550 5.550 3.611 3.395 3.751 0.155 7 0 "[ . 1]" 1
51 1 8 GLN QG 1 11 ILE MD 4.750 3.750 5.750 5.303 4.622 5.720 . 0 0 "[ . 1]" 1
52 1 8 GLN QG 1 11 ILE MG 4.050 3.050 5.050 3.507 3.001 4.405 0.049 5 0 "[ . 1]" 1
53 1 9 LEU H 1 9 LEU HA 3.300 2.550 4.050 2.870 2.864 2.874 . 0 0 "[ . 1]" 1
54 1 9 LEU H 1 9 LEU QB 2.850 2.100 3.600 2.507 2.437 2.588 . 0 0 "[ . 1]" 1
55 1 9 LEU H 1 9 LEU MD2 3.600 2.600 4.600 3.333 3.123 3.486 . 0 0 "[ . 1]" 1
56 1 9 LEU H 1 9 LEU HG 3.150 2.400 3.900 2.229 2.111 2.306 0.289 7 0 "[ . 1]" 1
57 1 9 LEU H 1 10 LEU H 3.200 2.450 3.950 2.570 2.553 2.589 . 0 0 "[ . 1]" 1
58 1 9 LEU HA 1 9 LEU MD2 2.700 . 3.700 2.113 2.104 2.133 . 0 0 "[ . 1]" 1
59 1 9 LEU HA 1 12 ILE H 3.550 2.800 4.300 3.609 3.572 3.643 . 0 0 "[ . 1]" 1
60 1 9 LEU HA 1 12 ILE MD 3.800 2.800 4.800 2.862 2.780 2.983 0.020 3 0 "[ . 1]" 1
61 1 9 LEU HA 1 12 ILE MG 3.350 2.350 4.350 3.983 3.927 4.103 . 0 0 "[ . 1]" 1
62 1 9 LEU HA 1 13 ALA MB 3.750 2.750 4.750 4.296 4.162 4.460 . 0 0 "[ . 1]" 1
63 1 9 LEU QB 1 9 LEU MD2 2.900 . 3.900 2.228 2.212 2.244 . 0 0 "[ . 1]" 1
64 1 9 LEU MD1 1 13 ALA MB 4.600 3.600 5.600 5.227 5.174 5.292 . 0 0 "[ . 1]" 1
65 1 9 LEU MD2 1 10 LEU H 3.950 2.950 4.950 4.678 4.615 4.732 . 0 0 "[ . 1]" 1
66 1 9 LEU MD2 1 12 ILE HB 3.550 2.550 4.550 3.695 3.593 3.789 . 0 0 "[ . 1]" 1
67 1 9 LEU MD2 1 13 ALA H 4.200 3.200 5.200 4.924 4.830 5.120 . 0 0 "[ . 1]" 1
68 1 9 LEU HG 1 10 LEU H 3.600 2.850 4.350 4.304 4.197 4.372 0.022 8 0 "[ . 1]" 1
69 1 10 LEU H 1 10 LEU HA 2.950 2.200 3.700 2.802 2.787 2.811 . 0 0 "[ . 1]" 1
70 1 10 LEU H 1 10 LEU QB 2.700 . 3.450 2.170 2.154 2.187 . 0 0 "[ . 1]" 1
71 1 10 LEU H 1 10 LEU MD2 3.700 2.700 4.700 4.162 4.067 4.316 . 0 0 "[ . 1]" 1
72 1 10 LEU H 1 10 LEU HG 3.300 2.550 4.050 3.270 2.794 4.283 0.233 7 0 "[ . 1]" 1
73 1 10 LEU H 1 11 ILE H 3.100 2.350 3.850 2.832 2.813 2.853 . 0 0 "[ . 1]" 1
74 1 10 LEU HA 1 10 LEU MD2 2.900 . 3.900 2.658 2.409 3.192 . 0 0 "[ . 1]" 1
75 1 10 LEU HA 1 11 ILE H 3.550 2.800 4.300 3.585 3.577 3.599 . 0 0 "[ . 1]" 1
76 1 10 LEU HA 1 13 ALA H 3.700 2.950 4.450 3.617 3.559 3.667 . 0 0 "[ . 1]" 1
77 1 10 LEU QB 1 11 ILE H 3.000 2.250 3.750 2.509 2.388 2.585 . 0 0 "[ . 1]" 1
78 1 10 LEU MD2 1 11 ILE H 4.450 3.450 5.450 4.306 3.379 4.704 0.071 1 0 "[ . 1]" 1
79 1 10 LEU MD2 1 13 ALA MB 4.700 3.700 5.700 3.889 3.696 4.178 0.004 2 0 "[ . 1]" 1
80 1 11 ILE H 1 11 ILE HA 3.150 2.400 3.900 2.837 2.830 2.844 . 0 0 "[ . 1]" 1
81 1 11 ILE H 1 11 ILE HB 2.750 . 3.500 2.442 2.372 2.613 . 0 0 "[ . 1]" 1
82 1 11 ILE H 1 11 ILE MD 3.500 2.500 4.500 4.262 4.243 4.298 . 0 0 "[ . 1]" 1
83 1 11 ILE H 1 11 ILE MG 2.900 . 3.900 2.179 1.856 2.314 0.044 5 0 "[ . 1]" 1
84 1 11 ILE H 1 12 ILE H 3.000 2.500 3.750 2.664 2.637 2.695 . 0 0 "[ . 1]" 1
85 1 11 ILE H 1 14 VAL MG2 4.900 3.900 5.900 4.652 4.588 4.715 . 0 0 "[ . 1]" 1
86 1 11 ILE HA 1 11 ILE MD 3.550 2.550 4.550 3.684 3.672 3.706 . 0 0 "[ . 1]" 1
87 1 11 ILE HA 1 11 ILE MG 3.000 . 4.000 3.185 3.180 3.187 . 0 0 "[ . 1]" 1
88 1 11 ILE HA 1 12 ILE H 4.500 3.750 5.250 3.575 3.570 3.588 0.180 7 0 "[ . 1]" 1
89 1 11 ILE HA 1 14 VAL H 3.800 3.050 4.550 3.509 3.448 3.549 . 0 0 "[ . 1]" 1
90 1 11 ILE HA 1 14 VAL MG1 3.600 2.600 4.600 4.034 3.987 4.090 . 0 0 "[ . 1]" 1
91 1 11 ILE HA 1 14 VAL MG2 3.200 2.200 4.200 3.110 2.926 3.282 . 0 0 "[ . 1]" 1
92 1 11 ILE HA 1 15 ILE H 3.700 2.950 4.450 4.344 4.114 4.505 0.055 3 0 "[ . 1]" 1
93 1 11 ILE HB 1 11 ILE MD 3.150 2.150 4.150 2.280 2.243 2.309 . 0 0 "[ . 1]" 1
94 1 11 ILE MG 1 15 ILE H 4.650 3.650 5.650 4.969 4.838 5.239 . 0 0 "[ . 1]" 1
95 1 12 ILE H 1 12 ILE HA 3.300 2.550 4.050 2.828 2.824 2.830 . 0 0 "[ . 1]" 1
96 1 12 ILE H 1 12 ILE HB 2.950 2.200 3.700 2.407 2.397 2.419 . 0 0 "[ . 1]" 1
97 1 12 ILE H 1 12 ILE MD 3.900 2.900 4.900 3.512 3.475 3.560 . 0 0 "[ . 1]" 1
98 1 12 ILE H 1 12 ILE HG12 2.650 . 3.400 3.536 3.510 3.554 0.154 3 0 "[ . 1]" 1
99 1 12 ILE H 1 12 ILE HG13 2.650 . 3.400 2.239 2.224 2.263 . 0 0 "[ . 1]" 1
100 1 12 ILE H 1 12 ILE MG 3.250 2.250 4.250 3.736 3.731 3.741 . 0 0 "[ . 1]" 1
101 1 12 ILE H 1 13 ALA H 3.100 2.550 3.850 2.673 2.660 2.691 . 0 0 "[ . 1]" 1
102 1 12 ILE H 1 13 ALA MB 3.600 2.600 4.600 4.317 4.303 4.335 . 0 0 "[ . 1]" 1
103 1 12 ILE HA 1 12 ILE MD 3.950 2.950 4.950 3.789 3.779 3.798 . 0 0 "[ . 1]" 1
104 1 12 ILE HA 1 12 ILE MG 2.550 . 3.550 2.393 2.384 2.404 . 0 0 "[ . 1]" 1
105 1 12 ILE HA 1 13 ALA H 3.950 3.200 4.700 3.547 3.543 3.552 . 0 0 "[ . 1]" 1
106 1 12 ILE HA 1 13 ALA MB 3.900 2.900 4.900 5.026 5.022 5.030 0.130 6 0 "[ . 1]" 1
107 1 12 ILE HA 1 15 ILE H 3.250 2.500 4.000 3.475 3.431 3.560 . 0 0 "[ . 1]" 1
108 1 12 ILE HB 1 12 ILE MD 3.350 2.350 4.350 2.334 2.312 2.356 0.038 4 0 "[ . 1]" 1
109 1 12 ILE HB 1 13 ALA H 3.250 2.500 4.000 2.616 2.603 2.631 . 0 0 "[ . 1]" 1
110 1 12 ILE MD 1 13 ALA H 4.750 3.750 5.750 4.533 4.511 4.554 . 0 0 "[ . 1]" 1
111 1 12 ILE MG 1 13 ALA H 3.300 2.300 4.300 3.287 3.251 3.318 . 0 0 "[ . 1]" 1
112 1 12 ILE MG 1 13 ALA MB 4.250 3.250 5.250 3.978 3.938 4.014 . 0 0 "[ . 1]" 1
113 1 12 ILE MG 1 16 VAL MG2 3.050 2.050 4.050 2.798 2.620 3.038 . 0 0 "[ . 1]" 1
114 1 13 ALA H 1 13 ALA HA 3.250 2.500 4.000 2.812 2.805 2.819 . 0 0 "[ . 1]" 1
115 1 13 ALA H 1 13 ALA MB 2.550 . 3.550 2.221 2.205 2.233 . 0 0 "[ . 1]" 1
116 1 13 ALA H 1 14 VAL H 3.150 2.400 3.850 2.689 2.671 2.703 . 0 0 "[ . 1]" 1
117 1 13 ALA H 1 14 VAL MG2 4.100 3.350 4.850 4.337 4.317 4.359 . 0 0 "[ . 1]" 1
118 1 13 ALA HA 1 13 ALA MB 2.450 . 3.450 2.140 2.137 2.143 . 0 0 "[ . 1]" 1
119 1 13 ALA HA 1 16 VAL H 3.650 2.900 4.400 3.632 3.565 3.689 . 0 0 "[ . 1]" 1
120 1 13 ALA HA 1 16 VAL MG1 3.600 2.600 4.600 4.267 4.198 4.326 . 0 0 "[ . 1]" 1
121 1 13 ALA HA 1 16 VAL MG2 3.650 2.650 4.650 3.350 3.168 3.470 . 0 0 "[ . 1]" 1
122 1 13 ALA MB 1 14 VAL H 2.850 2.450 3.850 2.552 2.480 2.593 . 0 0 "[ . 1]" 1
123 1 13 ALA MB 1 14 VAL HB 3.700 2.700 4.700 4.494 4.428 4.534 . 0 0 "[ . 1]" 1
124 1 13 ALA MB 1 14 VAL MG1 4.850 3.850 5.850 4.999 4.961 5.033 . 0 0 "[ . 1]" 1
125 1 13 ALA MB 1 14 VAL MG2 4.050 3.050 5.050 3.149 3.058 3.234 . 0 0 "[ . 1]" 1
126 1 13 ALA MB 1 16 VAL MG1 4.800 3.800 5.800 4.927 4.843 4.998 . 0 0 "[ . 1]" 1
127 1 13 ALA MB 1 16 VAL MG2 4.550 3.550 5.550 4.532 4.371 4.633 . 0 0 "[ . 1]" 1
128 1 14 VAL H 1 14 VAL HA 3.400 2.650 4.150 2.819 2.813 2.826 . 0 0 "[ . 1]" 1
129 1 14 VAL H 1 14 VAL HB 2.950 2.200 3.700 2.346 2.339 2.354 . 0 0 "[ . 1]" 1
130 1 14 VAL H 1 14 VAL MG1 3.200 2.200 4.200 3.719 3.717 3.721 . 0 0 "[ . 1]" 1
131 1 14 VAL H 1 14 VAL MG2 2.650 . 3.650 2.308 2.288 2.330 . 0 0 "[ . 1]" 1
132 1 14 VAL H 1 15 ILE H 3.200 2.450 3.900 2.749 2.722 2.767 . 0 0 "[ . 1]" 1
133 1 14 VAL HA 1 14 VAL MG1 2.900 . 3.900 2.456 2.440 2.470 . 0 0 "[ . 1]" 1
134 1 14 VAL HA 1 14 VAL MG2 2.650 . 3.650 2.297 2.289 2.303 . 0 0 "[ . 1]" 1
135 1 14 VAL HA 1 15 ILE H 3.900 3.150 4.650 3.573 3.567 3.579 . 0 0 "[ . 1]" 1
136 1 14 VAL HA 1 17 VAL H 3.750 3.000 4.500 3.584 3.536 3.615 . 0 0 "[ . 1]" 1
137 1 14 VAL HA 1 17 VAL MG1 3.700 2.700 4.700 4.230 4.174 4.307 . 0 0 "[ . 1]" 1
138 1 14 VAL HB 1 14 VAL MG2 2.400 . 3.400 2.147 2.145 2.149 . 0 0 "[ . 1]" 1
139 1 14 VAL HB 1 15 ILE H 3.350 2.600 4.100 2.661 2.625 2.694 . 0 0 "[ . 1]" 1
140 1 14 VAL HB 1 18 LEU MD1 4.700 3.700 5.700 4.442 4.356 4.592 . 0 0 "[ . 1]" 1
141 1 14 VAL MG1 1 15 ILE H 3.600 2.600 4.600 3.184 3.142 3.215 . 0 0 "[ . 1]" 1
142 1 14 VAL MG1 1 15 ILE HB 3.850 2.850 4.850 4.909 4.862 4.946 0.096 7 0 "[ . 1]" 1
143 1 14 VAL MG1 1 15 ILE HG12 3.600 2.600 4.600 4.206 4.150 4.243 . 0 0 "[ . 1]" 1
144 1 14 VAL MG1 1 17 VAL H 3.750 2.750 4.750 4.690 4.591 4.751 0.001 8 0 "[ . 1]" 1
145 1 14 VAL MG1 1 18 LEU HA 4.450 3.450 5.450 5.154 5.115 5.241 . 0 0 "[ . 1]" 1
146 1 14 VAL MG1 1 18 LEU QB 3.600 2.600 4.600 3.806 3.755 3.923 . 0 0 "[ . 1]" 1
147 1 14 VAL MG2 1 15 ILE H 3.650 2.650 4.650 3.999 3.983 4.020 . 0 0 "[ . 1]" 1
148 1 15 ILE H 1 15 ILE HA 3.150 2.400 3.900 2.817 2.812 2.821 . 0 0 "[ . 1]" 1
149 1 15 ILE H 1 15 ILE HB 2.850 2.100 3.600 2.451 2.446 2.457 . 0 0 "[ . 1]" 1
150 1 15 ILE H 1 15 ILE MD 3.600 2.600 4.600 3.475 3.458 3.497 . 0 0 "[ . 1]" 1
151 1 15 ILE H 1 15 ILE HG12 3.250 2.500 4.000 3.696 3.683 3.707 . 0 0 "[ . 1]" 1
152 1 15 ILE H 1 15 ILE HG13 2.900 2.150 3.650 2.366 2.346 2.379 . 0 0 "[ . 1]" 1
153 1 15 ILE H 1 15 ILE MG 3.150 2.150 4.150 3.773 3.771 3.776 . 0 0 "[ . 1]" 1
154 1 15 ILE H 1 16 VAL H 3.300 2.800 4.050 2.761 2.750 2.770 0.050 1 0 "[ . 1]" 1
155 1 15 ILE H 1 16 VAL MG1 4.950 3.950 5.950 5.917 5.898 5.935 . 0 0 "[ . 1]" 1
156 1 15 ILE H 1 16 VAL MG2 4.200 3.200 5.200 4.361 4.300 4.408 . 0 0 "[ . 1]" 1
157 1 15 ILE H 1 18 LEU MD1 4.700 3.700 5.700 4.493 4.454 4.565 . 0 0 "[ . 1]" 1
158 1 15 ILE HA 1 15 ILE MG 2.450 . 3.450 2.433 2.424 2.437 . 0 0 "[ . 1]" 1
159 1 15 ILE HA 1 16 VAL H 3.750 3.000 4.500 3.551 3.548 3.555 . 0 0 "[ . 1]" 1
160 1 15 ILE HA 1 18 LEU MD1 4.000 3.000 5.000 2.886 2.857 2.915 0.143 7 0 "[ . 1]" 1
161 1 15 ILE HA 1 19 LEU H 4.150 3.400 4.900 3.932 3.906 3.990 . 0 0 "[ . 1]" 1
162 1 15 ILE HA 1 19 LEU MD1 5.100 4.100 6.100 4.424 4.354 4.523 . 0 0 "[ . 1]" 1
163 1 15 ILE HA 1 19 LEU MD2 5.100 4.100 6.100 4.316 4.288 4.350 . 0 0 "[ . 1]" 1
164 1 15 ILE HB 1 16 VAL H 3.600 2.850 4.350 2.656 2.635 2.677 0.215 6 0 "[ . 1]" 1
165 1 15 ILE HB 1 19 LEU MD1 4.850 3.850 5.850 4.397 4.349 4.429 . 0 0 "[ . 1]" 1
166 1 15 ILE HG12 1 16 VAL H 4.350 3.600 5.100 5.057 5.047 5.068 . 0 0 "[ . 1]" 1
167 1 15 ILE HG12 1 19 LEU MD1 4.550 3.550 5.550 4.566 4.521 4.632 . 0 0 "[ . 1]" 1
168 1 15 ILE HG12 1 19 LEU MD2 4.700 4.350 5.700 4.749 4.716 4.789 . 0 0 "[ . 1]" 1
169 1 15 ILE HG13 1 16 VAL H 3.900 3.150 4.650 4.461 4.446 4.468 . 0 0 "[ . 1]" 1
170 1 15 ILE MG 1 16 VAL H 3.200 2.200 4.200 3.220 3.186 3.242 . 0 0 "[ . 1]" 1
171 1 15 ILE MG 1 16 VAL HA 3.550 2.550 4.550 3.194 3.175 3.204 . 0 0 "[ . 1]" 1
172 1 15 ILE MG 1 16 VAL MG1 3.800 2.800 4.800 4.805 4.779 4.831 0.031 3 0 "[ . 1]" 1
173 1 15 ILE MG 1 16 VAL MG2 4.300 3.300 5.300 3.360 3.314 3.442 . 0 0 "[ . 1]" 1
174 1 15 ILE MG 1 19 LEU H 3.450 2.450 4.450 3.693 3.635 3.750 . 0 0 "[ . 1]" 1
175 1 15 ILE MG 1 19 LEU MD1 3.150 2.150 4.150 2.109 2.082 2.122 0.068 7 0 "[ . 1]" 1
176 1 16 VAL H 1 16 VAL HA 3.400 2.650 4.150 2.799 2.792 2.806 . 0 0 "[ . 1]" 1
177 1 16 VAL H 1 16 VAL HB 3.100 2.350 3.850 2.382 2.362 2.407 . 0 0 "[ . 1]" 1
178 1 16 VAL H 1 16 VAL MG1 3.200 2.200 4.200 3.728 3.723 3.736 . 0 0 "[ . 1]" 1
179 1 16 VAL H 1 16 VAL MG2 2.700 . 3.700 2.243 2.180 2.277 . 0 0 "[ . 1]" 1
180 1 16 VAL H 1 17 VAL H 3.350 2.600 3.950 2.745 2.722 2.766 . 0 0 "[ . 1]" 1
181 1 16 VAL H 1 17 VAL MG1 5.300 4.300 6.300 5.939 5.920 5.952 . 0 0 "[ . 1]" 1
182 1 16 VAL H 1 17 VAL MG2 3.600 2.600 4.600 4.370 4.307 4.416 . 0 0 "[ . 1]" 1
183 1 16 VAL H 1 18 LEU MD1 5.250 4.250 6.250 5.659 5.631 5.680 . 0 0 "[ . 1]" 1
184 1 16 VAL H 1 19 LEU MD1 5.100 4.100 6.100 4.802 4.757 4.825 . 0 0 "[ . 1]" 1
185 1 16 VAL HA 1 16 VAL MG1 3.000 . 4.000 2.450 2.438 2.461 . 0 0 "[ . 1]" 1
186 1 16 VAL HA 1 16 VAL MG2 2.750 . 3.750 2.250 2.235 2.299 . 0 0 "[ . 1]" 1
187 1 16 VAL HA 1 17 VAL H 3.750 3.000 4.500 3.540 3.534 3.545 . 0 0 "[ . 1]" 1
188 1 16 VAL HA 1 19 LEU H 3.700 2.950 4.450 3.773 3.733 3.812 . 0 0 "[ . 1]" 1
189 1 16 VAL HA 1 19 LEU MD1 3.550 2.550 4.550 3.334 3.288 3.363 . 0 0 "[ . 1]" 1
190 1 16 VAL HA 1 19 LEU MD2 4.750 3.900 5.750 5.102 5.008 5.154 . 0 0 "[ . 1]" 1
191 1 16 VAL HA 1 20 PHE H 3.650 2.900 4.400 3.983 3.948 4.039 . 0 0 "[ . 1]" 1
192 1 16 VAL HA 1 20 PHE QD 2.400 . 3.150 3.044 3.005 3.088 . 0 0 "[ . 1]" 1
193 1 16 VAL HA 1 20 PHE QE 4.900 4.150 5.650 4.102 4.072 4.128 0.078 10 0 "[ . 1]" 1
194 1 16 VAL HB 1 17 VAL H 3.400 2.650 4.150 2.616 2.586 2.627 0.064 8 0 "[ . 1]" 1
195 1 16 VAL MG1 1 17 VAL H 3.200 2.200 4.200 3.201 3.157 3.242 . 0 0 "[ . 1]" 1
196 1 16 VAL MG1 1 19 LEU QB 4.850 3.850 5.850 4.254 4.187 4.306 . 0 0 "[ . 1]" 1
197 1 16 VAL MG1 1 19 LEU QD 4.250 3.250 5.250 4.593 4.544 4.626 . 0 0 "[ . 1]" 1
198 1 16 VAL MG1 1 20 PHE QB 4.200 3.200 5.200 3.220 3.196 3.255 0.004 6 0 "[ . 1]" 1
199 1 16 VAL MG1 1 20 PHE QD 3.550 2.550 4.550 2.512 2.491 2.530 0.059 1 0 "[ . 1]" 1
200 1 16 VAL MG1 1 20 PHE QE 3.950 3.300 4.800 3.286 3.242 3.337 0.058 3 0 "[ . 1]" 1
201 1 16 VAL MG1 1 21 GLY H 4.400 3.400 5.400 5.562 5.541 5.608 0.208 5 0 "[ . 1]" 1
202 1 16 VAL MG2 1 17 VAL H 3.150 3.100 4.150 3.946 3.902 3.962 . 0 0 "[ . 1]" 1
203 1 16 VAL MG2 1 19 LEU MD1 2.950 . 3.950 4.002 3.955 4.025 0.075 8 0 "[ . 1]" 1
204 1 16 VAL MG2 1 20 PHE QD 3.100 2.100 4.100 4.046 4.005 4.101 0.001 5 0 "[ . 1]" 1
205 1 16 VAL MG2 1 20 PHE QE 4.450 3.450 5.450 4.001 3.936 4.079 . 0 0 "[ . 1]" 1
206 1 17 VAL H 1 17 VAL HA 3.200 2.450 3.950 2.826 2.822 2.829 . 0 0 "[ . 1]" 1
207 1 17 VAL H 1 17 VAL HB 3.000 2.250 3.750 2.423 2.407 2.447 . 0 0 "[ . 1]" 1
208 1 17 VAL H 1 17 VAL MG1 2.850 . 3.850 3.751 3.746 3.757 . 0 0 "[ . 1]" 1
209 1 17 VAL H 1 17 VAL MG2 2.550 . 3.550 2.244 2.199 2.284 . 0 0 "[ . 1]" 1
210 1 17 VAL HA 1 18 LEU H 3.350 2.600 4.100 3.570 3.567 3.574 . 0 0 "[ . 1]" 1
211 1 17 VAL HA 1 18 LEU MD1 5.750 4.750 6.750 6.527 6.511 6.541 . 0 0 "[ . 1]" 1
212 1 17 VAL HA 1 20 PHE H 3.850 3.100 4.600 3.695 3.680 3.710 . 0 0 "[ . 1]" 1
213 1 17 VAL HA 1 20 PHE QD 3.700 2.950 4.450 4.557 4.534 4.576 0.126 6 0 "[ . 1]" 1
214 1 17 VAL HA 1 21 GLY H 3.500 2.750 4.250 3.848 3.802 3.906 . 0 0 "[ . 1]" 1
215 1 17 VAL HA 1 25 LEU MD1 3.800 2.800 4.800 3.212 3.163 3.303 . 0 0 "[ . 1]" 1
216 1 17 VAL HB 1 17 VAL MG2 2.450 . 3.450 2.148 2.146 2.153 . 0 0 "[ . 1]" 1
217 1 17 VAL HB 1 18 LEU H 3.350 2.600 4.100 2.654 2.637 2.677 . 0 0 "[ . 1]" 1
218 1 17 VAL HB 1 25 LEU MD1 4.050 3.050 5.050 5.081 5.044 5.122 0.072 9 0 "[ . 1]" 1
219 1 17 VAL HB 1 25 LEU MD2 5.650 4.650 6.650 6.580 6.362 6.695 0.045 7 0 "[ . 1]" 1
220 1 17 VAL MG1 1 18 LEU QB 3.800 2.800 4.800 4.499 4.469 4.541 . 0 0 "[ . 1]" 1
221 1 17 VAL MG1 1 21 GLY H 4.050 3.700 5.050 3.935 3.903 3.968 . 0 0 "[ . 1]" 1
222 1 17 VAL MG1 1 21 GLY HA2 3.800 2.800 4.800 3.537 3.458 3.617 . 0 0 "[ . 1]" 1
223 1 17 VAL MG1 1 21 GLY HA3 3.800 2.800 4.800 4.859 4.807 4.923 0.123 9 0 "[ . 1]" 1
224 1 17 VAL MG1 1 22 PRO HA 3.750 2.750 4.750 3.612 3.515 3.709 . 0 0 "[ . 1]" 1
225 1 17 VAL MG1 1 22 PRO QB 4.650 3.650 5.650 3.807 3.731 3.916 . 0 0 "[ . 1]" 1
226 1 17 VAL MG1 1 22 PRO QD 4.600 3.600 5.600 3.347 3.321 3.366 0.279 2 0 "[ . 1]" 1
227 1 17 VAL MG1 1 25 LEU MD2 3.350 2.350 4.350 4.320 4.184 4.375 0.025 7 0 "[ . 1]" 1
228 1 17 VAL MG2 1 18 LEU HA 4.550 3.550 5.550 5.404 5.398 5.410 . 0 0 "[ . 1]" 1
229 1 17 VAL MG2 1 18 LEU QB 4.700 3.700 5.700 5.533 5.516 5.548 . 0 0 "[ . 1]" 1
230 1 17 VAL MG2 1 18 LEU HG 4.300 3.300 5.300 5.161 5.136 5.190 . 0 0 "[ . 1]" 1
231 1 17 VAL MG2 1 22 PRO HA 3.900 2.900 4.900 5.006 4.957 5.063 0.163 7 0 "[ . 1]" 1
232 1 17 VAL MG2 1 22 PRO QB 4.650 3.650 5.650 5.388 5.320 5.464 . 0 0 "[ . 1]" 1
233 1 17 VAL MG2 1 25 LEU QB 3.950 2.950 4.950 4.167 4.108 4.250 . 0 0 "[ . 1]" 1
234 1 17 VAL MG2 1 25 LEU MD1 3.250 2.250 4.000 2.581 2.495 2.632 . 0 0 "[ . 1]" 1
235 1 17 VAL MG2 1 25 LEU MD2 3.450 3.150 4.450 3.875 3.638 3.996 . 0 0 "[ . 1]" 1
236 1 18 LEU H 1 18 LEU HA 3.050 2.300 3.800 2.819 2.816 2.821 . 0 0 "[ . 1]" 1
237 1 18 LEU H 1 18 LEU QB 2.800 2.050 3.550 2.271 2.265 2.276 . 0 0 "[ . 1]" 1
238 1 18 LEU H 1 18 LEU MD1 4.200 3.200 5.200 3.592 3.571 3.613 . 0 0 "[ . 1]" 1
239 1 18 LEU H 1 18 LEU MD2 3.000 . 4.000 3.729 3.715 3.754 . 0 0 "[ . 1]" 1
240 1 18 LEU H 1 18 LEU HG 3.350 2.600 4.100 2.552 2.537 2.564 0.063 1 0 "[ . 1]" 1
241 1 18 LEU H 1 19 LEU H 3.200 2.450 3.850 2.795 2.785 2.819 . 0 0 "[ . 1]" 1
242 1 18 LEU H 1 19 LEU MD1 4.450 3.450 5.450 5.475 5.460 5.500 0.050 2 0 "[ . 1]" 1
243 1 18 LEU HA 1 18 LEU MD1 3.700 2.700 4.700 3.786 3.780 3.790 . 0 0 "[ . 1]" 1
244 1 18 LEU HA 1 18 LEU MD2 2.450 . 3.450 2.128 2.121 2.138 . 0 0 "[ . 1]" 1
245 1 18 LEU HA 1 21 GLY H 3.550 2.800 4.300 3.374 3.350 3.393 . 0 0 "[ . 1]" 1
246 1 18 LEU QB 1 18 LEU MD2 2.750 . 3.750 2.211 2.197 2.217 . 0 0 "[ . 1]" 1
247 1 18 LEU QB 1 19 LEU H 2.900 2.150 3.650 2.482 2.462 2.491 . 0 0 "[ . 1]" 1
248 1 18 LEU MD1 1 19 LEU H 4.400 3.400 5.400 4.483 4.460 4.492 . 0 0 "[ . 1]" 1
249 1 18 LEU MD1 1 19 LEU MD2 3.850 2.850 3.950 4.123 4.071 4.163 0.213 4 0 "[ . 1]" 1
250 1 18 LEU MD2 1 18 LEU HG 2.900 . 3.900 2.142 2.138 2.149 . 0 0 "[ . 1]" 1
251 1 18 LEU MD2 1 19 LEU H 3.650 2.650 4.650 4.629 4.622 4.639 . 0 0 "[ . 1]" 1
252 1 18 LEU HG 1 19 LEU H 4.100 3.350 4.850 4.559 4.543 4.575 . 0 0 "[ . 1]" 1
253 1 19 LEU H 1 19 LEU HA 3.000 2.250 3.750 2.823 2.819 2.824 . 0 0 "[ . 1]" 1
254 1 19 LEU H 1 19 LEU QB 2.850 2.100 3.600 2.562 2.555 2.573 . 0 0 "[ . 1]" 1
255 1 19 LEU H 1 19 LEU MD1 3.550 2.550 4.550 3.611 3.580 3.625 . 0 0 "[ . 1]" 1
256 1 19 LEU H 1 19 LEU MD2 3.300 2.300 4.300 2.819 2.743 2.858 . 0 0 "[ . 1]" 1
257 1 19 LEU H 1 20 PHE H 3.350 2.600 3.750 2.708 2.698 2.725 . 0 0 "[ . 1]" 1
258 1 19 LEU HA 1 19 LEU MD1 3.400 2.400 4.400 3.783 3.773 3.795 . 0 0 "[ . 1]" 1
259 1 19 LEU HA 1 19 LEU MD2 2.450 . 3.450 2.082 2.067 2.100 . 0 0 "[ . 1]" 1
260 1 19 LEU HA 1 20 PHE H 3.600 2.850 4.350 3.553 3.547 3.559 . 0 0 "[ . 1]" 1
261 1 19 LEU QB 1 19 LEU MD1 2.950 . 3.950 2.115 2.107 2.122 . 0 0 "[ . 1]" 1
262 1 19 LEU QB 1 19 LEU MD2 2.850 . 3.850 2.339 2.320 2.358 . 0 0 "[ . 1]" 1
263 1 19 LEU QB 1 20 PHE H 3.150 2.400 3.900 2.592 2.561 2.623 . 0 0 "[ . 1]" 1
264 1 19 LEU QB 1 20 PHE QD 3.500 2.750 4.250 2.756 2.690 2.880 0.060 3 0 "[ . 1]" 1
265 1 19 LEU QB 1 20 PHE QE 4.150 3.400 4.900 3.734 3.706 3.787 . 0 0 "[ . 1]" 1
266 1 19 LEU MD1 1 20 PHE QD 4.800 3.800 5.800 4.252 4.209 4.280 . 0 0 "[ . 1]" 1
267 1 19 LEU MD1 1 20 PHE QE 4.600 3.600 4.850 4.269 4.232 4.299 . 0 0 "[ . 1]" 1
268 1 19 LEU MD2 1 20 PHE QD 4.900 3.900 5.900 5.407 5.353 5.497 . 0 0 "[ . 1]" 1
269 1 19 LEU MD2 1 20 PHE QE 5.100 4.100 6.100 6.081 6.052 6.100 0.000 8 0 "[ . 1]" 1
270 1 20 PHE H 1 20 PHE HB2 3.000 2.250 3.750 2.283 2.273 2.289 . 0 0 "[ . 1]" 1
271 1 20 PHE H 1 20 PHE HB3 2.800 2.050 3.550 3.575 3.570 3.578 0.028 10 0 "[ . 1]" 1
272 1 20 PHE H 1 21 GLY H 3.000 2.250 3.600 2.394 2.367 2.416 . 0 0 "[ . 1]" 1
273 1 20 PHE HA 1 21 GLY H 3.350 2.600 4.100 3.409 3.399 3.421 . 0 0 "[ . 1]" 1
274 1 20 PHE QB 1 25 LEU MD1 4.350 3.350 5.350 3.502 3.346 3.686 0.004 9 0 "[ . 1]" 1
275 1 20 PHE HB2 1 21 GLY H 3.900 3.150 4.650 3.363 3.333 3.385 . 0 0 "[ . 1]" 1
276 1 20 PHE HB3 1 21 GLY H 3.900 3.150 4.650 3.962 3.935 3.983 . 0 0 "[ . 1]" 1
277 1 20 PHE QE 1 28 ILE MD 3.950 3.200 4.700 3.654 3.414 4.382 . 0 0 "[ . 1]" 1
278 1 20 PHE QE 1 28 ILE MG 5.300 4.300 6.300 5.610 5.259 6.268 . 0 0 "[ . 1]" 1
279 1 21 GLY H 1 22 PRO HD2 3.900 3.150 4.650 4.841 4.824 4.867 0.217 5 0 "[ . 1]" 1
280 1 21 GLY H 1 25 LEU MD1 4.450 3.450 5.450 5.599 5.566 5.658 0.208 7 0 "[ . 1]" 1
281 1 22 PRO HA 1 24 LYS H 3.700 2.950 4.450 4.762 4.741 4.808 0.358 9 0 "[ . 1]" 1
282 1 22 PRO HA 1 25 LEU MD1 3.500 2.500 4.500 4.207 4.057 4.342 . 0 0 "[ . 1]" 1
283 1 22 PRO HA 1 25 LEU MD2 4.600 3.600 5.150 3.657 3.584 3.784 0.016 8 0 "[ . 1]" 1
284 1 22 PRO HA 1 26 GLY H 3.900 3.150 4.650 4.035 3.845 4.122 . 0 0 "[ . 1]" 1
285 1 23 LYS H 1 23 LYS HA 3.200 2.450 3.950 2.849 2.837 2.861 . 0 0 "[ . 1]" 1
286 1 23 LYS H 1 23 LYS QB 2.750 . 3.500 2.273 2.242 2.284 . 0 0 "[ . 1]" 1
287 1 23 LYS H 1 23 LYS QG 3.700 2.950 4.450 3.857 2.641 4.064 0.309 2 0 "[ . 1]" 1
288 1 23 LYS H 1 24 LYS H 3.850 3.100 4.100 2.825 2.795 2.846 0.305 2 0 "[ . 1]" 1
289 1 23 LYS HA 1 24 LYS H 3.000 2.250 3.750 3.600 3.581 3.620 . 0 0 "[ . 1]" 1
290 1 23 LYS HA 1 26 GLY H 4.000 3.250 4.750 3.676 3.636 3.756 . 0 0 "[ . 1]" 1
291 1 24 LYS H 1 24 LYS HA 2.600 . 3.350 2.848 2.835 2.857 . 0 0 "[ . 1]" 1
292 1 24 LYS H 1 24 LYS QB 2.800 2.050 3.550 2.460 2.242 2.545 . 0 0 "[ . 1]" 1
293 1 24 LYS H 1 24 LYS QD 3.250 2.500 4.000 3.777 3.446 4.398 0.398 9 0 "[ . 1]" 1
294 1 24 LYS H 1 25 LEU H 3.100 2.650 3.850 2.645 2.623 2.654 0.027 7 0 "[ . 1]" 1
295 1 24 LYS HA 1 25 LEU H 3.300 2.550 4.050 3.538 3.532 3.546 . 0 0 "[ . 1]" 1
296 1 24 LYS HA 1 27 SER H 4.300 3.550 5.050 3.710 3.656 3.778 . 0 0 "[ . 1]" 1
297 1 24 LYS QB 1 25 LEU H 3.050 2.300 3.800 2.463 2.411 2.517 . 0 0 "[ . 1]" 1
298 1 25 LEU H 1 25 LEU HA 3.450 2.700 4.200 2.799 2.794 2.804 . 0 0 "[ . 1]" 1
299 1 25 LEU H 1 25 LEU QB 2.750 . 3.500 2.246 2.236 2.250 . 0 0 "[ . 1]" 1
300 1 25 LEU H 1 25 LEU MD1 3.950 2.950 4.950 4.245 4.203 4.275 . 0 0 "[ . 1]" 1
301 1 25 LEU H 1 25 LEU MD2 4.150 3.150 5.150 4.154 4.073 4.219 . 0 0 "[ . 1]" 1
302 1 25 LEU H 1 25 LEU HG 3.650 2.900 4.400 4.411 4.385 4.428 0.028 1 0 "[ . 1]" 1
303 1 25 LEU H 1 26 GLY H 3.500 2.750 4.000 2.747 2.728 2.762 0.022 5 0 "[ . 1]" 1
304 1 25 LEU HA 1 25 LEU MD2 3.100 2.100 4.100 3.421 3.352 3.464 . 0 0 "[ . 1]" 1
305 1 25 LEU HA 1 26 GLY H 3.550 2.800 4.300 3.516 3.488 3.533 . 0 0 "[ . 1]" 1
306 1 25 LEU QB 1 25 LEU MD1 2.800 . 3.800 2.105 2.103 2.109 . 0 0 "[ . 1]" 1
307 1 25 LEU QB 1 25 LEU MD2 2.850 . 3.850 2.177 2.155 2.197 . 0 0 "[ . 1]" 1
308 1 25 LEU QB 1 26 GLY H 4.000 3.250 4.750 2.986 2.941 3.057 0.309 8 0 "[ . 1]" 1
309 1 25 LEU MD1 1 25 LEU HG 3.000 . 4.000 2.139 2.135 2.144 . 0 0 "[ . 1]" 1
310 1 25 LEU MD1 1 28 ILE HB 4.000 3.000 5.000 4.783 4.621 4.937 . 0 0 "[ . 1]" 1
311 1 25 LEU MD1 1 29 GLY H 4.000 3.000 5.000 5.139 5.103 5.169 0.169 7 0 "[ . 1]" 1
312 1 25 LEU MD1 1 29 GLY HA3 5.100 4.100 6.100 5.315 5.163 5.540 . 0 0 "[ . 1]" 1
313 1 25 LEU MD2 1 26 GLY H 4.150 3.150 5.150 3.399 3.192 3.597 . 0 0 "[ . 1]" 1
314 1 25 LEU MD2 1 29 GLY H 3.950 2.950 4.950 3.725 3.592 3.841 . 0 0 "[ . 1]" 1
315 1 25 LEU HG 1 26 GLY H 4.100 3.350 4.850 4.656 4.567 4.795 . 0 0 "[ . 1]" 1
316 1 26 GLY H 1 26 GLY HA2 2.900 2.150 3.650 2.846 2.843 2.852 . 0 0 "[ . 1]" 1
317 1 26 GLY H 1 26 GLY HA3 3.100 2.350 3.850 2.311 2.310 2.312 0.040 1 0 "[ . 1]" 1
318 1 26 GLY HA3 1 27 SER H 3.300 2.550 4.050 2.669 2.656 2.697 . 0 0 "[ . 1]" 1
319 1 26 GLY HA3 1 28 ILE H 3.850 3.100 4.600 4.687 4.659 4.713 0.113 5 0 "[ . 1]" 1
320 1 27 SER H 1 27 SER HA 3.200 2.450 3.950 2.838 2.827 2.843 . 0 0 "[ . 1]" 1
321 1 27 SER H 1 27 SER QB 3.000 2.250 3.750 2.460 2.222 2.594 0.028 5 0 "[ . 1]" 1
322 1 27 SER H 1 28 ILE H 3.650 2.900 4.400 2.697 2.681 2.721 0.219 9 0 "[ . 1]" 1
323 1 27 SER HA 1 28 ILE H 3.500 2.750 4.250 3.573 3.566 3.580 . 0 0 "[ . 1]" 1
324 1 27 SER QB 1 28 ILE H 3.650 2.900 4.400 3.121 2.659 3.434 0.241 2 0 "[ . 1]" 1
325 1 28 ILE H 1 28 ILE HA 2.950 2.200 3.700 2.833 2.829 2.837 . 0 0 "[ . 1]" 1
326 1 28 ILE H 1 28 ILE HB 2.800 2.050 3.550 2.434 2.425 2.450 . 0 0 "[ . 1]" 1
327 1 28 ILE H 1 28 ILE HG12 3.450 2.700 4.200 3.604 3.571 3.640 . 0 0 "[ . 1]" 1
328 1 28 ILE H 1 28 ILE HG13 2.650 . 3.400 2.237 2.203 2.269 . 0 0 "[ . 1]" 1
329 1 28 ILE H 1 28 ILE MG 3.050 2.050 4.050 3.748 3.744 3.751 . 0 0 "[ . 1]" 1
330 1 28 ILE H 1 29 GLY H 3.300 2.900 4.050 2.753 2.741 2.762 0.159 2 0 "[ . 1]" 1
331 1 28 ILE HA 1 28 ILE MG 2.700 . 3.700 2.379 2.368 2.390 . 0 0 "[ . 1]" 1
332 1 28 ILE HA 1 29 GLY H 3.450 2.700 4.200 3.589 3.586 3.592 . 0 0 "[ . 1]" 1
333 1 28 ILE HA 1 31 ASP H 3.500 2.750 4.250 3.667 3.537 3.744 . 0 0 "[ . 1]" 1
334 1 28 ILE HA 1 32 LEU MD1 3.800 2.800 4.800 4.021 3.753 4.512 . 0 0 "[ . 1]" 1
335 1 28 ILE HB 1 29 GLY H 3.250 2.500 4.000 2.505 2.488 2.525 0.012 3 0 "[ . 1]" 1
336 1 28 ILE MG 1 32 LEU H 3.000 . 4.000 4.068 4.023 4.124 0.124 7 0 "[ . 1]" 1
337 1 29 GLY H 1 29 GLY HA2 3.300 2.550 4.050 2.822 2.814 2.828 . 0 0 "[ . 1]" 1
338 1 29 GLY H 1 29 GLY HA3 2.600 . 3.350 2.303 2.300 2.306 . 0 0 "[ . 1]" 1
339 1 29 GLY H 1 30 SER H 3.700 2.950 4.450 2.785 2.760 2.818 0.190 10 0 "[ . 1]" 1
340 1 29 GLY HA2 1 32 LEU H 3.850 3.100 4.600 3.606 3.547 3.635 . 0 0 "[ . 1]" 1
341 1 29 GLY HA3 1 32 LEU MD1 3.850 2.850 4.850 4.916 4.885 4.947 0.097 2 0 "[ . 1]" 1
342 1 30 SER H 1 30 SER HA 3.300 2.550 4.050 2.797 2.794 2.804 . 0 0 "[ . 1]" 1
343 1 30 SER H 1 30 SER QB 3.300 2.550 4.050 2.448 2.247 2.581 0.303 10 0 "[ . 1]" 1
344 1 30 SER HA 1 31 ASP H 3.000 2.250 3.750 3.557 3.537 3.568 . 0 0 "[ . 1]" 1
345 1 30 SER QB 1 31 ASP H 3.500 2.750 4.250 2.853 2.574 3.395 0.176 1 0 "[ . 1]" 1
346 1 30 SER QB 1 33 GLY H 4.750 4.000 5.500 4.624 4.495 4.759 . 0 0 "[ . 1]" 1
347 1 30 SER QB 1 34 ALA MB 4.500 3.500 5.500 5.509 5.264 5.630 0.130 5 0 "[ . 1]" 1
348 1 31 ASP H 1 31 ASP HA 3.050 2.300 3.800 2.823 2.817 2.828 . 0 0 "[ . 1]" 1
349 1 31 ASP H 1 32 LEU H 3.250 2.500 4.000 2.670 2.649 2.698 . 0 0 "[ . 1]" 1
350 1 31 ASP HA 1 34 ALA H 3.850 3.100 4.600 4.143 3.995 4.258 . 0 0 "[ . 1]" 1
351 1 32 LEU H 1 32 LEU HA 3.300 2.550 4.050 2.906 2.902 2.914 . 0 0 "[ . 1]" 1
352 1 32 LEU H 1 32 LEU QB 3.300 2.550 4.050 2.427 2.420 2.435 0.130 8 0 "[ . 1]" 1
353 1 32 LEU H 1 32 LEU MD1 3.550 2.550 4.550 3.511 3.487 3.536 . 0 0 "[ . 1]" 1
354 1 32 LEU H 1 32 LEU MD2 3.900 2.900 4.900 3.647 3.596 3.685 . 0 0 "[ . 1]" 1
355 1 32 LEU H 1 32 LEU HG 3.200 2.450 3.950 2.390 2.360 2.412 0.090 3 0 "[ . 1]" 1
356 1 32 LEU H 1 33 GLY H 3.500 2.750 4.250 2.422 2.402 2.448 0.348 2 0 "[ . 1]" 1
357 1 32 LEU H 1 34 ALA MB 4.900 3.900 5.900 5.050 4.919 5.336 . 0 0 "[ . 1]" 1
358 1 32 LEU HA 1 32 LEU MD1 3.050 2.050 4.050 3.837 3.832 3.843 . 0 0 "[ . 1]" 1
359 1 32 LEU HA 1 32 LEU MD2 2.650 . 3.650 2.180 2.167 2.191 . 0 0 "[ . 1]" 1
360 1 32 LEU QB 1 32 LEU MD1 2.800 . 3.800 2.092 2.084 2.103 . 0 0 "[ . 1]" 1
361 1 32 LEU QB 1 32 LEU MD2 2.750 . 3.750 2.189 2.181 2.197 . 0 0 "[ . 1]" 1
362 1 32 LEU QB 1 33 GLY H 3.600 2.850 4.350 3.071 3.004 3.141 . 0 0 "[ . 1]" 1
363 1 32 LEU MD2 1 34 ALA H 4.250 3.250 5.250 5.117 5.033 5.268 0.018 7 0 "[ . 1]" 1
364 1 32 LEU MD2 1 35 SER QB 4.850 3.850 5.850 5.139 3.928 5.657 . 0 0 "[ . 1]" 1
365 1 32 LEU HG 1 33 GLY H 3.800 3.050 4.550 4.470 4.443 4.504 . 0 0 "[ . 1]" 1
366 1 33 GLY H 1 33 GLY QA 2.900 2.150 3.650 2.217 2.186 2.245 . 0 0 "[ . 1]" 1
367 1 33 GLY H 1 34 ALA H 3.400 2.650 4.150 2.615 2.572 2.685 0.078 1 0 "[ . 1]" 1
368 1 33 GLY H 1 34 ALA MB 4.950 4.300 5.700 4.240 4.181 4.369 0.119 8 0 "[ . 1]" 1
369 1 33 GLY QA 1 37 LYS H 4.000 3.250 4.750 4.028 3.707 4.480 . 0 0 "[ . 1]" 1
370 1 33 GLY HA2 1 34 ALA H 3.600 2.850 4.350 3.326 3.267 3.501 . 0 0 "[ . 1]" 1
371 1 33 GLY HA2 1 36 ILE H 4.100 3.350 4.850 3.239 3.194 3.298 0.156 3 0 "[ . 1]" 1
372 1 33 GLY HA2 1 36 ILE MG 4.050 3.050 5.050 4.312 3.974 4.556 . 0 0 "[ . 1]" 1
373 1 33 GLY HA3 1 34 ALA H 3.500 2.750 4.250 3.277 3.017 3.363 . 0 0 "[ . 1]" 1
374 1 34 ALA H 1 34 ALA HA 2.900 2.150 3.650 2.841 2.830 2.852 . 0 0 "[ . 1]" 1
375 1 34 ALA H 1 34 ALA MB 2.650 . 3.400 2.197 2.170 2.217 . 0 0 "[ . 1]" 1
376 1 34 ALA HA 1 34 ALA MB 2.250 . 3.250 2.135 2.132 2.138 . 0 0 "[ . 1]" 1
377 1 34 ALA HA 1 35 SER H 3.200 2.450 3.950 3.532 3.505 3.548 . 0 0 "[ . 1]" 1
378 1 34 ALA HA 1 37 LYS H 4.150 3.400 4.900 3.495 3.428 3.597 . 0 0 "[ . 1]" 1
379 1 34 ALA MB 1 35 SER H 3.700 2.950 4.450 2.706 2.641 2.770 0.309 7 0 "[ . 1]" 1
380 1 34 ALA MB 1 35 SER QB 4.450 3.450 5.450 4.236 3.927 4.540 . 0 0 "[ . 1]" 1
381 1 35 SER H 1 35 SER HA 2.900 2.150 3.650 2.847 2.838 2.861 . 0 0 "[ . 1]" 1
382 1 35 SER H 1 35 SER QB 3.250 2.600 4.000 2.472 2.284 2.573 0.316 6 0 "[ . 1]" 1
383 1 35 SER H 1 36 ILE H 3.400 2.650 4.000 2.574 2.518 2.624 0.132 7 0 "[ . 1]" 1
384 1 35 SER HA 1 36 ILE H 3.700 2.950 4.450 3.513 3.493 3.530 . 0 0 "[ . 1]" 1
385 1 35 SER QB 1 36 ILE MD 4.250 3.250 5.250 4.686 4.423 5.326 0.076 1 0 "[ . 1]" 1
386 1 36 ILE H 1 36 ILE HA 2.900 2.150 3.650 2.828 2.821 2.837 . 0 0 "[ . 1]" 1
387 1 36 ILE H 1 36 ILE HB 3.050 2.300 3.800 2.440 2.435 2.450 . 0 0 "[ . 1]" 1
388 1 36 ILE H 1 36 ILE MD 3.500 2.500 4.500 3.476 3.458 3.487 . 0 0 "[ . 1]" 1
389 1 36 ILE H 1 36 ILE HG12 3.600 2.850 4.350 3.648 3.626 3.669 . 0 0 "[ . 1]" 1
390 1 36 ILE H 1 36 ILE HG13 3.300 2.550 4.050 2.320 2.293 2.341 0.257 10 0 "[ . 1]" 1
391 1 36 ILE H 1 36 ILE MG 3.300 2.300 4.300 3.760 3.756 3.763 . 0 0 "[ . 1]" 1
392 1 36 ILE H 1 37 LYS H 3.450 2.750 4.200 2.633 2.607 2.652 0.143 7 0 "[ . 1]" 1
393 1 36 ILE H 1 37 LYS QB 4.600 3.850 5.350 4.404 4.337 4.586 . 0 0 "[ . 1]" 1
394 1 36 ILE HA 1 36 ILE MD 3.200 2.200 4.200 3.807 3.803 3.810 . 0 0 "[ . 1]" 1
395 1 36 ILE HA 1 36 ILE MG 2.700 . 3.700 2.405 2.390 2.415 . 0 0 "[ . 1]" 1
396 1 36 ILE HA 1 37 LYS H 3.300 2.550 4.050 3.524 3.520 3.531 . 0 0 "[ . 1]" 1
397 1 36 ILE HA 1 39 PHE H 3.500 2.750 4.250 3.394 3.338 3.467 . 0 0 "[ . 1]" 1
398 1 36 ILE HA 1 39 PHE QD 3.400 2.400 4.400 3.765 3.501 3.950 . 0 0 "[ . 1]" 1
399 1 36 ILE HB 1 36 ILE MD 2.850 . 3.850 2.274 2.245 2.306 . 0 0 "[ . 1]" 1
400 1 36 ILE HB 1 36 ILE MG 2.850 . 3.850 2.153 2.151 2.155 . 0 0 "[ . 1]" 1
401 1 36 ILE HB 1 37 LYS H 3.150 2.400 3.900 2.658 2.641 2.677 . 0 0 "[ . 1]" 1
402 1 36 ILE MD 1 37 LYS H 4.150 3.150 5.150 4.500 4.484 4.525 . 0 0 "[ . 1]" 1
403 1 36 ILE HG12 1 36 ILE MG 2.700 . 3.700 2.312 2.307 2.321 . 0 0 "[ . 1]" 1
404 1 36 ILE HG12 1 37 LYS H 4.150 3.400 4.900 5.047 5.042 5.053 0.153 4 0 "[ . 1]" 1
405 1 36 ILE HG13 1 36 ILE MG 2.550 . 3.550 3.187 3.185 3.191 . 0 0 "[ . 1]" 1
406 1 36 ILE MG 1 37 LYS H . 3.450 4.300 3.332 3.326 3.338 0.124 8 0 "[ . 1]" 1
407 1 36 ILE MG 1 37 LYS HA 3.200 2.200 4.200 3.332 3.317 3.342 . 0 0 "[ . 1]" 1
408 1 36 ILE MG 1 39 PHE QB 3.850 2.850 4.850 3.358 3.175 3.498 . 0 0 "[ . 1]" 1
409 1 36 ILE MG 1 39 PHE QE 5.600 4.600 6.600 6.355 6.048 6.607 0.007 5 0 "[ . 1]" 1
410 1 36 ILE MG 1 41 LYS H 5.000 4.250 5.750 5.597 5.425 5.748 . 0 0 "[ . 1]" 1
411 1 37 LYS H 1 37 LYS HA 3.100 2.350 3.850 2.782 2.779 2.792 . 0 0 "[ . 1]" 1
412 1 37 LYS H 1 37 LYS QB 3.100 2.350 3.850 2.278 2.245 2.407 0.105 6 0 "[ . 1]" 1
413 1 37 LYS H 1 37 LYS QD 4.350 3.600 5.100 4.256 3.705 4.394 . 0 0 "[ . 1]" 1
414 1 37 LYS H 1 38 GLY H 3.450 2.700 3.450 2.819 2.799 2.841 . 0 0 "[ . 1]" 1
415 1 37 LYS HA 1 38 GLY H 3.100 2.350 3.850 3.575 3.566 3.584 . 0 0 "[ . 1]" 1
416 1 37 LYS QB 1 38 GLY H 3.150 2.400 3.900 2.597 2.536 2.648 . 0 0 "[ . 1]" 1
417 1 38 GLY H 1 39 PHE H 2.700 2.300 3.450 2.633 2.610 2.720 . 0 0 "[ . 1]" 1
418 1 38 GLY H 1 39 PHE QB 3.650 2.900 4.400 4.461 4.440 4.522 0.122 5 0 "[ . 1]" 1
419 1 38 GLY HA2 1 39 PHE H 3.250 2.500 4.000 3.555 3.542 3.574 . 0 0 "[ . 1]" 1
420 1 38 GLY HA2 1 41 LYS H 3.450 2.700 4.200 3.517 3.465 3.582 . 0 0 "[ . 1]" 1
421 1 38 GLY HA3 1 42 ALA H 3.700 2.950 4.450 4.686 4.642 4.746 0.296 7 0 "[ . 1]" 1
422 1 39 PHE H 1 39 PHE HA 3.200 2.450 3.950 2.826 2.820 2.830 . 0 0 "[ . 1]" 1
423 1 39 PHE H 1 39 PHE QB 2.400 . 3.150 2.234 2.226 2.244 . 0 0 "[ . 1]" 1
424 1 39 PHE H 1 40 LYS H 3.200 2.500 3.950 2.700 2.675 2.729 . 0 0 "[ . 1]" 1
425 1 39 PHE HA 1 40 LYS H 3.550 2.800 4.300 3.564 3.560 3.568 . 0 0 "[ . 1]" 1
426 1 39 PHE HA 1 42 ALA H 3.850 3.100 4.600 3.765 3.693 3.815 . 0 0 "[ . 1]" 1
427 1 39 PHE HA 1 42 ALA MB 2.900 . 3.900 2.929 2.800 3.055 . 0 0 "[ . 1]" 1
428 1 39 PHE QB 1 40 LYS H 3.100 2.350 3.850 2.550 2.529 2.581 . 0 0 "[ . 1]" 1
429 1 39 PHE QB 1 41 LYS H 4.450 3.700 5.200 4.776 4.754 4.794 . 0 0 "[ . 1]" 1
430 1 39 PHE QB 1 42 ALA H 5.000 4.250 5.750 5.174 5.138 5.205 . 0 0 "[ . 1]" 1
431 1 39 PHE QB 1 42 ALA MB 4.900 3.900 5.900 4.570 4.531 4.617 . 0 0 "[ . 1]" 1
432 1 39 PHE QD 1 42 ALA MB 6.000 5.000 7.000 4.775 4.743 4.815 0.257 5 0 "[ . 1]" 1
433 1 39 PHE QE 1 43 MET ME 4.700 3.700 5.700 4.969 3.925 5.825 0.125 7 0 "[ . 1]" 1
434 1 40 LYS H 1 40 LYS HA 3.150 2.400 3.900 2.822 2.801 2.835 . 0 0 "[ . 1]" 1
435 1 40 LYS H 1 40 LYS QB 3.050 2.300 3.800 2.267 2.263 2.275 0.037 7 0 "[ . 1]" 1
436 1 40 LYS H 1 40 LYS QD 4.550 3.800 5.300 4.457 4.410 4.618 . 0 0 "[ . 1]" 1
437 1 40 LYS H 1 40 LYS QG 4.150 3.400 4.900 3.972 3.964 3.976 . 0 0 "[ . 1]" 1
438 1 40 LYS H 1 41 LYS H 3.700 2.950 4.100 2.777 2.753 2.817 0.197 10 0 "[ . 1]" 1
439 1 40 LYS HA 1 41 LYS H 3.300 2.550 4.050 3.597 3.592 3.603 . 0 0 "[ . 1]" 1
440 1 40 LYS HA 1 43 MET H 3.450 2.700 4.200 3.647 3.597 3.742 . 0 0 "[ . 1]" 1
441 1 41 LYS H 1 41 LYS HA 3.050 2.300 3.800 2.794 2.777 2.825 . 0 0 "[ . 1]" 1
442 1 41 LYS H 1 41 LYS QB 3.000 2.250 3.750 2.200 2.138 2.230 0.112 8 0 "[ . 1]" 1
443 1 41 LYS H 1 41 LYS QD 3.400 2.650 4.150 4.343 4.273 4.388 0.238 9 0 "[ . 1]" 1
444 1 41 LYS H 1 41 LYS QG 3.600 2.850 4.350 3.906 3.835 3.934 . 0 0 "[ . 1]" 1
445 1 41 LYS H 1 42 ALA H 3.700 2.950 4.300 2.846 2.807 2.867 0.143 5 0 "[ . 1]" 1
446 1 41 LYS HA 1 42 ALA H 3.600 2.850 4.350 3.602 3.598 3.616 . 0 0 "[ . 1]" 1
447 1 41 LYS HA 1 44 SER H 4.150 3.400 4.900 3.722 3.457 4.092 . 0 0 "[ . 1]" 1
448 1 41 LYS QB 1 42 ALA H 2.900 2.150 3.650 2.315 2.255 2.352 . 0 0 "[ . 1]" 1
449 1 42 ALA H 1 42 ALA HA 3.100 2.350 3.850 2.805 2.790 2.820 . 0 0 "[ . 1]" 1
450 1 42 ALA H 1 42 ALA MB 2.750 . 3.500 2.230 2.219 2.246 . 0 0 "[ . 1]" 1
451 1 42 ALA H 1 43 MET H 4.000 3.250 4.650 2.891 2.790 2.959 0.460 5 0 "[ . 1]" 1
452 1 42 ALA H 1 43 MET QB 4.800 4.050 5.550 4.693 4.632 4.822 . 0 0 "[ . 1]" 1
453 1 42 ALA HA 1 43 MET H 3.300 2.550 4.050 3.594 3.544 3.618 . 0 0 "[ . 1]" 1
454 1 42 ALA MB 1 43 MET H 2.900 2.300 3.800 2.543 2.414 2.820 . 0 0 "[ . 1]" 1
455 1 42 ALA MB 1 43 MET QB 3.900 2.900 4.900 3.940 3.573 4.329 . 0 0 "[ . 1]" 1
456 1 42 ALA MB 1 43 MET QG 4.800 3.800 5.800 3.903 3.481 4.797 0.319 5 0 "[ . 1]" 1
457 1 42 ALA MB 1 44 SER H 4.600 3.850 5.350 4.102 4.071 4.172 . 0 0 "[ . 1]" 1
458 1 43 MET H 1 43 MET HA 3.000 2.250 3.750 2.871 2.853 2.880 . 0 0 "[ . 1]" 1
459 1 43 MET H 1 43 MET QB 2.850 2.100 3.600 2.158 2.066 2.227 0.034 6 0 "[ . 1]" 1
460 1 43 MET H 1 43 MET QG 3.450 2.700 4.200 3.249 2.654 3.943 0.046 5 0 "[ . 1]" 1
461 1 43 MET H 1 44 SER H 3.900 3.150 4.650 2.775 2.588 2.823 0.562 7 1 "[ . + 1]" 1
462 1 43 MET HA 1 44 SER H 3.250 2.500 4.000 3.204 3.160 3.387 . 0 0 "[ . 1]" 1
463 1 43 MET QB 1 44 SER H 3.500 2.750 4.250 3.576 3.299 3.634 . 0 0 "[ . 1]" 1
464 1 43 MET ME 1 44 SER QB 5.200 4.200 6.200 6.027 5.589 6.297 0.097 7 0 "[ . 1]" 1
465 1 44 SER H 1 44 SER HA 3.150 2.400 3.900 2.722 2.290 2.954 0.110 4 0 "[ . 1]" 1
466 1 44 SER H 1 44 SER QB 3.100 2.350 3.850 2.667 2.275 3.223 0.075 3 0 "[ . 1]" 1
467 1 44 SER HA 1 45 ASP H 3.300 2.550 4.050 2.920 2.292 3.538 0.258 8 0 "[ . 1]" 1
468 1 44 SER QB 1 45 ASP H 4.200 3.450 4.950 3.684 3.335 3.969 0.115 3 0 "[ . 1]" 1
469 1 44 SER QB 1 46 ASP H 5.550 4.800 6.300 5.205 4.698 6.199 0.102 8 0 "[ . 1]" 1
470 1 45 ASP H 1 45 ASP HA 3.300 2.550 4.050 2.856 2.792 2.967 . 0 0 "[ . 1]" 1
471 1 45 ASP H 1 45 ASP QB 3.150 2.400 3.900 2.413 2.275 2.734 0.125 5 0 "[ . 1]" 1
472 1 45 ASP HA 1 46 ASP H 4.550 3.800 5.300 3.583 3.544 3.609 0.256 4 0 "[ . 1]" 1
473 1 46 ASP H 1 46 ASP HA 2.900 2.150 3.650 2.842 2.287 2.973 . 0 0 "[ . 1]" 1
474 1 46 ASP H 1 46 ASP QB 2.850 2.100 3.600 2.576 2.251 2.946 . 0 0 "[ . 1]" 1
475 1 46 ASP H 1 47 GLU H 3.950 3.350 4.700 4.233 3.215 4.613 0.135 9 0 "[ . 1]" 1
476 1 46 ASP HA 1 47 GLU H 3.600 2.850 4.350 2.583 2.264 2.745 0.586 7 1 "[ . + 1]" 1
477 1 46 ASP QB 1 47 GLU H 3.900 3.150 4.650 3.217 2.967 4.069 0.183 10 0 "[ . 1]" 1
478 1 47 GLU H 1 47 GLU HA 3.600 2.850 4.350 2.836 2.320 2.929 0.530 5 1 "[ + 1]" 1
479 1 47 GLU H 1 47 GLU QB 3.900 3.150 4.650 2.991 2.841 3.296 0.309 7 0 "[ . 1]" 1
480 1 47 GLU H 1 47 GLU QG 3.900 3.150 4.650 3.687 2.703 4.375 0.447 10 0 "[ . 1]" 1
481 1 47 GLU H 1 48 PRO QD 3.900 3.150 4.650 3.271 2.920 4.251 0.230 10 0 "[ . 1]" 1
482 1 49 LYS H 1 49 LYS HA 2.900 2.150 3.650 2.715 2.300 2.971 . 0 0 "[ . 1]" 1
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