NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567295 |
2me1   |
19512 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2me1
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 325
_Distance_constraint_stats_list.Viol_count 350
_Distance_constraint_stats_list.Viol_total 262.981
_Distance_constraint_stats_list.Viol_max 0.284
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0751
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLN 0.000 0.000 . 0 "[ . 1]"
1 3 GLU 0.648 0.068 8 0 "[ . 1]"
1 4 LEU 1.796 0.111 9 0 "[ . 1]"
1 5 LEU 4.366 0.273 1 0 "[ . 1]"
1 6 GLU 2.402 0.273 1 0 "[ . 1]"
1 7 LEU 0.718 0.130 5 0 "[ . 1]"
1 8 ASP 0.485 0.130 5 0 "[ . 1]"
1 9 LYS 0.607 0.212 7 0 "[ . 1]"
1 10 TRP 0.932 0.072 10 0 "[ . 1]"
1 11 ALA 0.329 0.039 7 0 "[ . 1]"
1 12 SER 0.623 0.157 4 0 "[ . 1]"
1 13 LEU 4.272 0.250 3 0 "[ . 1]"
1 14 TRP 0.344 0.061 7 0 "[ . 1]"
1 15 ALA 0.000 0.000 . 0 "[ . 1]"
1 16 TRP 3.017 0.250 3 0 "[ . 1]"
1 17 PHE 0.244 0.099 9 0 "[ . 1]"
1 18 ALA 0.000 0.000 . 0 "[ . 1]"
1 19 ILE 5.400 0.284 1 0 "[ . 1]"
1 20 THR 2.741 0.284 1 0 "[ . 1]"
1 21 ASN 0.254 0.123 3 0 "[ . 1]"
1 22 TRP 1.845 0.117 10 0 "[ . 1]"
1 23 LEU 2.845 0.237 5 0 "[ . 1]"
1 24 TRP 1.506 0.138 7 0 "[ . 1]"
1 25 TYR 0.144 0.138 7 0 "[ . 1]"
1 26 ILE 1.660 0.148 2 0 "[ . 1]"
1 27 LYS 2.363 0.148 2 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 2 GLN HA 1 3 GLU H 0.000 . 3.300 2.588 2.209 3.046 . 0 0 "[ . 1]" 1
2 1 2 GLN HB2 1 3 GLU H 0.000 . 4.790 3.718 3.004 4.548 . 0 0 "[ . 1]" 1
3 1 2 GLN HB3 1 3 GLU H 0.000 . 4.790 2.954 1.974 4.565 . 0 0 "[ . 1]" 1
4 1 2 GLN QG 1 3 GLU H 0.000 . 6.380 3.689 1.961 4.191 . 0 0 "[ . 1]" 1
5 1 3 GLU H 1 3 GLU QB 0.000 . 3.820 2.377 2.178 2.657 . 0 0 "[ . 1]" 1
6 1 3 GLU H 1 4 LEU H 0.000 . 4.170 4.204 4.179 4.222 0.052 7 0 "[ . 1]" 1
7 1 3 GLU HA 1 4 LEU H 0.000 . 3.050 2.636 2.247 3.040 . 0 0 "[ . 1]" 1
8 1 3 GLU QB 1 4 LEU H 0.000 . 4.170 2.848 1.869 3.781 . 0 0 "[ . 1]" 1
9 1 3 GLU QB 1 5 LEU H 0.000 . 5.080 2.930 2.366 3.571 . 0 0 "[ . 1]" 1
10 1 3 GLU HB2 1 4 LEU H 0.000 . 4.380 3.639 1.899 4.448 0.068 8 0 "[ . 1]" 1
11 1 3 GLU HB2 1 5 LEU H 0.000 . 5.500 3.804 2.613 4.314 . 0 0 "[ . 1]" 1
12 1 3 GLU HB3 1 4 LEU H 0.000 . 4.380 3.159 1.910 4.093 . 0 0 "[ . 1]" 1
13 1 3 GLU HB3 1 5 LEU H 0.000 . 5.500 3.268 2.385 4.477 . 0 0 "[ . 1]" 1
14 1 3 GLU QG 1 4 LEU H 0.000 . 6.350 3.713 2.058 4.798 . 0 0 "[ . 1]" 1
15 1 3 GLU QG 1 5 LEU H 0.000 . 6.380 4.395 1.889 5.064 . 0 0 "[ . 1]" 1
16 1 4 LEU H 1 4 LEU HB2 0.000 . 3.760 2.121 2.051 2.220 . 0 0 "[ . 1]" 1
17 1 4 LEU H 1 4 LEU QB 0.000 . 3.460 2.103 2.034 2.198 . 0 0 "[ . 1]" 1
18 1 4 LEU H 1 4 LEU HB3 0.000 . 3.760 3.455 3.377 3.535 . 0 0 "[ . 1]" 1
19 1 4 LEU H 1 4 LEU MD1 0.000 . 5.090 3.411 2.371 3.813 . 0 0 "[ . 1]" 1
20 1 4 LEU H 1 4 LEU QD 0.000 . 4.690 3.230 2.359 3.501 . 0 0 "[ . 1]" 1
21 1 4 LEU H 1 4 LEU MD2 0.000 . 5.090 4.147 3.987 4.248 . 0 0 "[ . 1]" 1
22 1 4 LEU H 1 4 LEU HG 0.000 . 3.240 3.143 3.007 3.251 0.011 7 0 "[ . 1]" 1
23 1 4 LEU H 1 5 LEU H 0.000 . 3.700 2.645 2.544 2.720 . 0 0 "[ . 1]" 1
24 1 4 LEU HA 1 4 LEU HB2 0.000 . 2.990 2.989 2.959 3.018 0.028 7 0 "[ . 1]" 1
25 1 4 LEU HA 1 4 LEU HB3 0.000 . 2.990 2.668 2.578 2.733 . 0 0 "[ . 1]" 1
26 1 4 LEU HA 1 4 LEU MD1 0.000 . 4.720 3.700 3.470 3.754 . 0 0 "[ . 1]" 1
27 1 4 LEU HA 1 4 LEU QD 0.000 . 3.990 2.223 1.950 2.937 . 0 0 "[ . 1]" 1
28 1 4 LEU HA 1 4 LEU MD2 0.000 . 4.720 2.261 1.956 3.170 . 0 0 "[ . 1]" 1
29 1 4 LEU HA 1 4 LEU HG 0.000 . 3.610 2.412 2.178 2.604 . 0 0 "[ . 1]" 1
30 1 4 LEU HA 1 5 LEU H 0.000 . 3.050 3.155 3.152 3.161 0.111 9 0 "[ . 1]" 1
31 1 4 LEU HA 1 6 GLU H 0.000 . 4.940 3.541 3.190 3.645 . 0 0 "[ . 1]" 1
32 1 4 LEU QB 1 5 LEU H 0.000 . 4.110 3.559 3.537 3.583 . 0 0 "[ . 1]" 1
33 1 4 LEU QB 1 6 GLU H 0.000 . 5.730 4.761 4.435 4.840 . 0 0 "[ . 1]" 1
34 1 4 LEU HB2 1 5 LEU H 0.000 . 4.260 3.841 3.766 3.883 . 0 0 "[ . 1]" 1
35 1 4 LEU HB2 1 10 TRP HE1 0.000 . 5.500 5.024 4.305 5.504 0.004 7 0 "[ . 1]" 1
36 1 4 LEU HB3 1 5 LEU H 0.000 . 4.260 4.208 4.129 4.289 0.029 7 0 "[ . 1]" 1
37 1 4 LEU HB3 1 10 TRP HE1 0.000 . 5.500 3.531 2.629 4.193 . 0 0 "[ . 1]" 1
38 1 4 LEU QD 1 5 LEU H 0.000 . 7.480 4.442 4.330 4.519 . 0 0 "[ . 1]" 1
39 1 5 LEU H 1 5 LEU HB2 0.000 . 3.550 2.887 2.646 3.572 0.022 5 0 "[ . 1]" 1
40 1 5 LEU H 1 5 LEU QB 0.000 . 3.370 2.577 2.166 2.715 . 0 0 "[ . 1]" 1
41 1 5 LEU H 1 5 LEU HB3 0.000 . 3.550 3.366 2.187 3.638 0.088 9 0 "[ . 1]" 1
42 1 5 LEU H 1 5 LEU MD1 0.000 . 5.310 3.636 3.524 4.198 . 0 0 "[ . 1]" 1
43 1 5 LEU H 1 5 LEU MD2 0.000 . 5.310 2.895 2.779 3.273 . 0 0 "[ . 1]" 1
44 1 5 LEU H 1 5 LEU HG 0.000 . 3.050 2.034 1.829 3.052 0.002 10 0 "[ . 1]" 1
45 1 5 LEU H 1 6 GLU H 0.000 . 4.170 2.211 2.111 2.604 . 0 0 "[ . 1]" 1
46 1 5 LEU HA 1 5 LEU QD 0.000 . 4.040 2.375 2.000 3.275 . 0 0 "[ . 1]" 1
47 1 5 LEU HA 1 5 LEU HG 0.000 . 3.390 3.409 3.335 3.526 0.136 5 0 "[ . 1]" 1
48 1 5 LEU HA 1 6 GLU H 0.000 . 3.080 3.308 3.207 3.353 0.273 1 0 "[ . 1]" 1
49 1 5 LEU HA 1 10 TRP HE1 0.000 . 4.660 3.615 3.303 3.944 . 0 0 "[ . 1]" 1
50 1 5 LEU QB 1 6 GLU H 0.000 . 4.140 3.285 3.061 3.871 . 0 0 "[ . 1]" 1
51 1 5 LEU QB 1 10 TRP HD1 0.000 . 6.380 5.179 4.946 5.454 . 0 0 "[ . 1]" 1
52 1 5 LEU QB 1 10 TRP HE1 0.000 . 6.380 5.370 4.915 5.715 . 0 0 "[ . 1]" 1
53 1 5 LEU HB2 1 6 GLU H 0.000 . 4.480 3.495 3.143 4.551 0.071 10 0 "[ . 1]" 1
54 1 5 LEU HB3 1 6 GLU H 0.000 . 4.480 4.255 3.963 4.375 . 0 0 "[ . 1]" 1
55 1 5 LEU QD 1 6 GLU H 0.000 . 5.180 3.900 3.331 4.000 . 0 0 "[ . 1]" 1
56 1 5 LEU QD 1 10 TRP HE1 0.000 . 7.570 4.259 3.550 5.675 . 0 0 "[ . 1]" 1
57 1 5 LEU MD1 1 6 GLU H 0.000 . 5.740 4.603 3.436 4.827 . 0 0 "[ . 1]" 1
58 1 5 LEU MD2 1 6 GLU H 0.000 . 5.740 4.288 4.183 4.474 . 0 0 "[ . 1]" 1
59 1 6 GLU H 1 6 GLU HB2 0.000 . 3.580 2.172 2.029 2.250 . 0 0 "[ . 1]" 1
60 1 6 GLU H 1 6 GLU QB 0.000 . 3.330 2.152 2.015 2.226 . 0 0 "[ . 1]" 1
61 1 6 GLU H 1 6 GLU HB3 0.000 . 3.580 3.500 3.405 3.550 . 0 0 "[ . 1]" 1
62 1 6 GLU H 1 6 GLU HG2 0.000 . 3.670 3.552 3.349 3.680 0.010 5 0 "[ . 1]" 1
63 1 6 GLU H 1 6 GLU QG 0.000 . 3.410 2.755 2.474 3.035 . 0 0 "[ . 1]" 1
64 1 6 GLU H 1 6 GLU HG3 0.000 . 3.670 2.878 2.516 3.233 . 0 0 "[ . 1]" 1
65 1 6 GLU HA 1 6 GLU HB2 0.000 . 3.020 3.010 2.963 3.029 0.009 6 0 "[ . 1]" 1
66 1 6 GLU HA 1 6 GLU HB3 0.000 . 3.020 2.618 2.554 2.733 . 0 0 "[ . 1]" 1
67 1 6 GLU HA 1 6 GLU HG2 0.000 . 3.240 2.144 2.010 2.363 . 0 0 "[ . 1]" 1
68 1 6 GLU HA 1 6 GLU QG 0.000 . 3.050 2.110 1.986 2.277 . 0 0 "[ . 1]" 1
69 1 6 GLU HA 1 6 GLU HG3 0.000 . 3.240 3.173 2.981 3.251 0.011 1 0 "[ . 1]" 1
70 1 6 GLU HA 1 7 LEU H 0.000 . 2.860 2.315 2.240 2.380 . 0 0 "[ . 1]" 1
71 1 6 GLU HA 1 8 ASP H 0.000 . 5.160 4.021 3.797 4.982 . 0 0 "[ . 1]" 1
72 1 6 GLU QB 1 7 LEU H 0.000 . 4.170 2.921 2.701 3.232 . 0 0 "[ . 1]" 1
73 1 6 GLU QB 1 9 LYS H 0.000 . 6.100 2.971 2.593 3.248 . 0 0 "[ . 1]" 1
74 1 6 GLU HB2 1 7 LEU H 0.000 . 4.380 4.132 3.931 4.387 0.007 7 0 "[ . 1]" 1
75 1 6 GLU HB3 1 7 LEU H 0.000 . 4.380 2.988 2.752 3.327 . 0 0 "[ . 1]" 1
76 1 6 GLU QG 1 7 LEU H 0.000 . 5.790 3.793 3.552 3.923 . 0 0 "[ . 1]" 1
77 1 7 LEU H 1 7 LEU HB2 0.000 . 3.480 2.160 2.106 2.231 . 0 0 "[ . 1]" 1
78 1 7 LEU H 1 7 LEU QB 0.000 . 3.200 2.140 2.088 2.208 . 0 0 "[ . 1]" 1
79 1 7 LEU H 1 7 LEU HB3 0.000 . 3.480 3.482 3.460 3.504 0.024 6 0 "[ . 1]" 1
80 1 7 LEU H 1 7 LEU MD1 0.000 . 5.030 2.923 2.474 3.547 . 0 0 "[ . 1]" 1
81 1 7 LEU H 1 7 LEU QD 0.000 . 4.600 2.835 2.452 3.253 . 0 0 "[ . 1]" 1
82 1 7 LEU H 1 7 LEU MD2 0.000 . 5.030 3.976 3.780 4.013 . 0 0 "[ . 1]" 1
83 1 7 LEU H 1 7 LEU HG 0.000 . 2.650 2.662 2.658 2.670 0.020 1 0 "[ . 1]" 1
84 1 7 LEU H 1 8 ASP H 0.000 . 3.700 2.691 2.580 3.046 . 0 0 "[ . 1]" 1
85 1 7 LEU HA 1 7 LEU MD1 0.000 . 4.320 3.712 3.677 3.734 . 0 0 "[ . 1]" 1
86 1 7 LEU HA 1 7 LEU QD 0.000 . 3.710 2.396 1.945 2.706 . 0 0 "[ . 1]" 1
87 1 7 LEU HA 1 7 LEU MD2 0.000 . 4.320 2.432 1.952 2.785 . 0 0 "[ . 1]" 1
88 1 7 LEU HA 1 7 LEU HG 0.000 . 2.900 2.365 2.301 2.655 . 0 0 "[ . 1]" 1
89 1 7 LEU HA 1 8 ASP H 0.000 . 3.420 3.468 3.443 3.550 0.130 5 0 "[ . 1]" 1
90 1 7 LEU HA 1 9 LYS H 0.000 . 5.500 4.650 3.900 4.860 . 0 0 "[ . 1]" 1
91 1 7 LEU HA 1 10 TRP H 0.000 . 4.760 3.391 2.923 3.631 . 0 0 "[ . 1]" 1
92 1 7 LEU HA 1 10 TRP HB2 0.000 . 4.880 2.513 2.256 3.187 . 0 0 "[ . 1]" 1
93 1 7 LEU HA 1 10 TRP QB 0.000 . 4.390 2.466 2.225 3.134 . 0 0 "[ . 1]" 1
94 1 7 LEU HA 1 10 TRP HB3 0.000 . 4.880 3.583 3.354 4.625 . 0 0 "[ . 1]" 1
95 1 7 LEU HA 1 10 TRP HD1 0.000 . 4.070 4.055 3.956 4.083 0.013 3 0 "[ . 1]" 1
96 1 7 LEU HB2 1 8 ASP H 0.000 . 4.070 3.025 2.195 3.198 . 0 0 "[ . 1]" 1
97 1 7 LEU HB3 1 8 ASP H 0.000 . 4.070 3.689 2.675 3.945 . 0 0 "[ . 1]" 1
98 1 7 LEU QD 1 8 ASP H 0.000 . 6.830 4.172 3.624 4.289 . 0 0 "[ . 1]" 1
99 1 8 ASP H 1 9 LYS H 0.000 . 3.920 2.858 2.819 2.903 . 0 0 "[ . 1]" 1
100 1 8 ASP H 1 11 ALA MB 0.000 . 5.250 4.253 4.153 4.302 . 0 0 "[ . 1]" 1
101 1 8 ASP HA 1 10 TRP H 0.000 . 4.690 4.343 4.136 4.681 . 0 0 "[ . 1]" 1
102 1 8 ASP HA 1 11 ALA H 0.000 . 5.000 3.399 3.026 3.984 . 0 0 "[ . 1]" 1
103 1 8 ASP HA 1 11 ALA MB 0.000 . 4.840 2.439 2.121 3.042 . 0 0 "[ . 1]" 1
104 1 8 ASP QB 1 10 TRP H 0.000 . 6.380 4.397 4.228 5.022 . 0 0 "[ . 1]" 1
105 1 8 ASP QB 1 11 ALA H 0.000 . 6.380 4.629 4.494 5.066 . 0 0 "[ . 1]" 1
106 1 8 ASP QB 1 11 ALA MB 0.000 . 6.870 4.055 3.413 4.593 . 0 0 "[ . 1]" 1
107 1 9 LYS H 1 9 LYS HB2 0.000 . 3.830 2.263 2.007 3.563 . 0 0 "[ . 1]" 1
108 1 9 LYS H 1 9 LYS QB 0.000 . 3.630 2.117 1.992 2.295 . 0 0 "[ . 1]" 1
109 1 9 LYS H 1 9 LYS HB3 0.000 . 3.830 3.334 2.298 3.525 . 0 0 "[ . 1]" 1
110 1 9 LYS H 1 9 LYS HG2 0.000 . 3.700 3.099 2.408 3.447 . 0 0 "[ . 1]" 1
111 1 9 LYS H 1 9 LYS QG 0.000 . 3.410 2.673 2.288 2.981 . 0 0 "[ . 1]" 1
112 1 9 LYS H 1 9 LYS HG3 0.000 . 3.700 3.079 2.390 3.747 0.047 7 0 "[ . 1]" 1
113 1 9 LYS HA 1 9 LYS QD 0.000 . 4.830 3.541 2.782 4.322 . 0 0 "[ . 1]" 1
114 1 9 LYS HA 1 9 LYS HG2 0.000 . 3.360 2.252 1.990 3.572 0.212 7 0 "[ . 1]" 1
115 1 9 LYS HA 1 9 LYS QG 0.000 . 3.180 2.189 1.972 3.141 . 0 0 "[ . 1]" 1
116 1 9 LYS HA 1 9 LYS HG3 0.000 . 3.360 3.353 3.231 3.501 0.141 5 0 "[ . 1]" 1
117 1 9 LYS HA 1 12 SER H 0.000 . 5.280 4.173 4.132 4.216 . 0 0 "[ . 1]" 1
118 1 9 LYS QB 1 10 TRP H 0.000 . 3.930 2.804 2.663 3.421 . 0 0 "[ . 1]" 1
119 1 9 LYS HB2 1 10 TRP H 0.000 . 4.110 3.005 2.733 4.114 0.004 7 0 "[ . 1]" 1
120 1 9 LYS HB2 1 10 TRP HD1 0.000 . 5.500 4.228 3.880 5.547 0.047 7 0 "[ . 1]" 1
121 1 9 LYS HB3 1 10 TRP H 0.000 . 4.110 3.472 3.259 3.695 . 0 0 "[ . 1]" 1
122 1 9 LYS HB3 1 10 TRP HD1 0.000 . 5.500 4.606 4.055 5.148 . 0 0 "[ . 1]" 1
123 1 9 LYS QG 1 10 TRP H 0.000 . 5.100 4.084 1.933 4.438 . 0 0 "[ . 1]" 1
124 1 9 LYS HG2 1 10 TRP H 0.000 . 5.500 4.556 1.956 4.904 . 0 0 "[ . 1]" 1
125 1 9 LYS HG3 1 10 TRP H 0.000 . 5.500 4.691 3.019 5.146 . 0 0 "[ . 1]" 1
126 1 10 TRP H 1 10 TRP HB2 0.000 . 3.580 2.015 2.011 2.019 . 0 0 "[ . 1]" 1
127 1 10 TRP H 1 10 TRP QB 0.000 . 3.330 2.000 1.996 2.004 . 0 0 "[ . 1]" 1
128 1 10 TRP H 1 10 TRP HB3 0.000 . 3.580 3.363 3.355 3.373 . 0 0 "[ . 1]" 1
129 1 10 TRP H 1 10 TRP HD1 0.000 . 3.480 3.412 3.284 3.514 0.034 9 0 "[ . 1]" 1
130 1 10 TRP H 1 11 ALA H 0.000 . 3.300 2.395 2.360 2.429 . 0 0 "[ . 1]" 1
131 1 10 TRP H 1 11 ALA MB 0.000 . 5.280 3.948 3.882 3.985 . 0 0 "[ . 1]" 1
132 1 10 TRP HA 1 10 TRP HE3 0.000 . 3.480 2.649 2.382 2.990 . 0 0 "[ . 1]" 1
133 1 10 TRP HA 1 13 LEU H 0.000 . 4.420 3.565 3.496 3.626 . 0 0 "[ . 1]" 1
134 1 10 TRP HA 1 13 LEU QB 0.000 . 5.760 3.018 2.867 3.130 . 0 0 "[ . 1]" 1
135 1 10 TRP HA 1 13 LEU QD 0.000 . 6.740 2.361 1.884 3.454 . 0 0 "[ . 1]" 1
136 1 10 TRP QB 1 11 ALA H 0.000 . 3.840 3.039 3.011 3.063 . 0 0 "[ . 1]" 1
137 1 10 TRP HB2 1 10 TRP HE3 0.000 . 4.140 4.206 4.190 4.212 0.072 10 0 "[ . 1]" 1
138 1 10 TRP HB2 1 11 ALA H 0.000 . 4.010 3.247 3.214 3.272 . 0 0 "[ . 1]" 1
139 1 10 TRP HB3 1 10 TRP HE3 0.000 . 4.140 2.873 2.747 2.977 . 0 0 "[ . 1]" 1
140 1 10 TRP HB3 1 11 ALA H 0.000 . 4.010 3.660 3.626 3.690 . 0 0 "[ . 1]" 1
141 1 10 TRP HE3 1 11 ALA HA 0.000 . 5.500 5.514 5.503 5.539 0.039 7 0 "[ . 1]" 1
142 1 10 TRP HE3 1 13 LEU HB2 0.000 . 5.500 2.569 2.264 2.872 . 0 0 "[ . 1]" 1
143 1 10 TRP HE3 1 13 LEU HB3 0.000 . 5.500 3.241 2.986 3.470 . 0 0 "[ . 1]" 1
144 1 10 TRP HE3 1 13 LEU MD1 0.000 . 4.970 2.942 2.547 3.441 . 0 0 "[ . 1]" 1
145 1 10 TRP HE3 1 13 LEU MD2 0.000 . 4.970 3.274 2.833 4.197 . 0 0 "[ . 1]" 1
146 1 10 TRP HZ3 1 13 LEU QD 0.000 . 6.490 2.178 1.955 2.670 . 0 0 "[ . 1]" 1
147 1 11 ALA H 1 11 ALA MB 0.000 . 3.450 2.063 1.954 2.125 . 0 0 "[ . 1]" 1
148 1 11 ALA HA 1 14 TRP H 0.000 . 4.570 3.397 3.381 3.413 . 0 0 "[ . 1]" 1
149 1 11 ALA HA 1 14 TRP HB2 0.000 . 3.730 3.391 3.211 3.768 0.038 7 0 "[ . 1]" 1
150 1 11 ALA HA 1 14 TRP HB3 0.000 . 3.730 3.527 3.019 3.749 0.019 1 0 "[ . 1]" 1
151 1 11 ALA HA 1 14 TRP HD1 0.000 . 5.130 5.135 5.130 5.141 0.011 1 0 "[ . 1]" 1
152 1 11 ALA MB 1 12 SER H 0.000 . 3.480 2.622 2.534 2.702 . 0 0 "[ . 1]" 1
153 1 11 ALA MB 1 13 LEU H 0.000 . 4.970 4.246 4.227 4.265 . 0 0 "[ . 1]" 1
154 1 11 ALA MB 1 14 TRP H 0.000 . 5.960 4.640 4.613 4.696 . 0 0 "[ . 1]" 1
155 1 12 SER H 1 12 SER HB2 0.000 . 3.640 3.217 1.962 3.539 . 0 0 "[ . 1]" 1
156 1 12 SER H 1 12 SER QB 0.000 . 3.470 2.355 1.945 2.581 . 0 0 "[ . 1]" 1
157 1 12 SER H 1 12 SER HB3 0.000 . 3.640 2.650 2.284 3.214 . 0 0 "[ . 1]" 1
158 1 12 SER H 1 13 LEU H 0.000 . 3.520 2.656 2.629 2.677 . 0 0 "[ . 1]" 1
159 1 12 SER HA 1 12 SER HB2 0.000 . 2.680 2.568 2.400 2.837 0.157 4 0 "[ . 1]" 1
160 1 12 SER HA 1 12 SER HB3 0.000 . 2.680 2.537 2.399 2.836 0.156 8 0 "[ . 1]" 1
161 1 12 SER HA 1 14 TRP H 0.000 . 5.130 4.554 4.473 4.698 . 0 0 "[ . 1]" 1
162 1 12 SER HA 1 15 ALA H 0.000 . 4.420 3.505 3.398 3.719 . 0 0 "[ . 1]" 1
163 1 12 SER HA 1 15 ALA MB 0.000 . 3.880 2.646 2.420 2.906 . 0 0 "[ . 1]" 1
164 1 12 SER QB 1 13 LEU H 0.000 . 4.080 3.559 3.061 3.702 . 0 0 "[ . 1]" 1
165 1 12 SER HB2 1 13 LEU H 0.000 . 4.420 3.963 3.482 4.220 . 0 0 "[ . 1]" 1
166 1 12 SER HB3 1 13 LEU H 0.000 . 4.420 4.041 3.393 4.286 . 0 0 "[ . 1]" 1
167 1 13 LEU H 1 13 LEU HB2 0.000 . 3.270 2.070 2.056 2.092 . 0 0 "[ . 1]" 1
168 1 13 LEU H 1 13 LEU QB 0.000 . 2.990 2.053 2.040 2.074 . 0 0 "[ . 1]" 1
169 1 13 LEU H 1 13 LEU HB3 0.000 . 3.270 3.421 3.413 3.431 0.161 9 0 "[ . 1]" 1
170 1 13 LEU H 1 13 LEU MD1 0.000 . 5.000 2.726 2.098 4.157 . 0 0 "[ . 1]" 1
171 1 13 LEU H 1 13 LEU MD2 0.000 . 5.000 3.576 2.196 4.152 . 0 0 "[ . 1]" 1
172 1 13 LEU H 1 13 LEU HG 0.000 . 3.240 3.324 3.304 3.353 0.113 7 0 "[ . 1]" 1
173 1 13 LEU H 1 14 TRP H 0.000 . 3.480 2.466 2.411 2.522 . 0 0 "[ . 1]" 1
174 1 13 LEU HA 1 13 LEU MD1 0.000 . 3.880 3.116 2.573 3.312 . 0 0 "[ . 1]" 1
175 1 13 LEU HA 1 13 LEU MD2 0.000 . 3.880 2.808 1.794 3.255 . 0 0 "[ . 1]" 1
176 1 13 LEU HA 1 16 TRP H 0.000 . 4.570 3.116 3.041 3.236 . 0 0 "[ . 1]" 1
177 1 13 LEU HA 1 16 TRP HB2 0.000 . 3.730 2.201 1.956 2.626 . 0 0 "[ . 1]" 1
178 1 13 LEU HA 1 16 TRP HB3 0.000 . 3.730 3.302 2.988 3.538 . 0 0 "[ . 1]" 1
179 1 13 LEU HA 1 16 TRP HD1 0.000 . 5.500 3.337 2.566 4.644 . 0 0 "[ . 1]" 1
180 1 13 LEU HA 1 16 TRP HE3 0.000 . 5.500 5.692 5.615 5.750 0.250 3 0 "[ . 1]" 1
181 1 13 LEU QB 1 14 TRP H 0.000 . 3.420 2.476 2.405 2.519 . 0 0 "[ . 1]" 1
182 1 13 LEU HB2 1 14 TRP H 0.000 . 3.610 2.566 2.480 2.623 . 0 0 "[ . 1]" 1
183 1 13 LEU HB3 1 14 TRP H 0.000 . 3.610 3.256 3.235 3.272 . 0 0 "[ . 1]" 1
184 1 13 LEU QD 1 14 TRP H 0.000 . 5.970 3.786 3.745 3.843 . 0 0 "[ . 1]" 1
185 1 13 LEU QD 1 16 TRP HE1 0.000 . 7.700 5.310 5.125 5.442 . 0 0 "[ . 1]" 1
186 1 13 LEU QD 1 17 PHE QD 0.000 . 9.420 5.001 4.576 5.487 . 0 0 "[ . 1]" 1
187 1 13 LEU MD1 1 14 TRP H 0.000 . 6.240 4.181 3.928 4.727 . 0 0 "[ . 1]" 1
188 1 13 LEU MD1 1 16 TRP HD1 0.000 . 6.520 4.584 4.067 5.238 . 0 0 "[ . 1]" 1
189 1 13 LEU MD2 1 14 TRP H 0.000 . 6.240 4.528 4.048 4.734 . 0 0 "[ . 1]" 1
190 1 13 LEU MD2 1 16 TRP HD1 0.000 . 6.520 4.995 4.191 5.302 . 0 0 "[ . 1]" 1
191 1 14 TRP H 1 14 TRP HB2 0.000 . 3.520 2.235 2.090 2.556 . 0 0 "[ . 1]" 1
192 1 14 TRP H 1 14 TRP QB 0.000 . 3.300 2.081 2.040 2.157 . 0 0 "[ . 1]" 1
193 1 14 TRP H 1 14 TRP HB3 0.000 . 3.520 2.685 2.305 2.856 . 0 0 "[ . 1]" 1
194 1 14 TRP H 1 14 TRP HD1 0.000 . 4.630 4.462 4.318 4.691 0.061 7 0 "[ . 1]" 1
195 1 14 TRP HA 1 17 PHE H 0.000 . 5.500 3.890 3.662 4.177 . 0 0 "[ . 1]" 1
196 1 14 TRP HA 1 17 PHE QD 0.000 . 6.420 3.526 3.011 4.220 . 0 0 "[ . 1]" 1
197 1 14 TRP QB 1 15 ALA H 0.000 . 3.840 2.629 2.607 2.689 . 0 0 "[ . 1]" 1
198 1 14 TRP HB2 1 15 ALA H 0.000 . 4.040 3.691 3.545 4.011 . 0 0 "[ . 1]" 1
199 1 14 TRP HB3 1 15 ALA H 0.000 . 4.040 2.694 2.655 2.732 . 0 0 "[ . 1]" 1
200 1 15 ALA H 1 15 ALA MB 0.000 . 3.450 2.087 2.014 2.144 . 0 0 "[ . 1]" 1
201 1 15 ALA MB 1 16 TRP H 0.000 . 3.480 2.725 2.659 2.824 . 0 0 "[ . 1]" 1
202 1 16 TRP H 1 16 TRP HB2 0.000 . 3.480 2.061 1.907 2.521 . 0 0 "[ . 1]" 1
203 1 16 TRP H 1 16 TRP HB3 0.000 . 3.480 2.971 2.257 3.237 . 0 0 "[ . 1]" 1
204 1 16 TRP H 1 16 TRP HD1 0.000 . 4.630 3.815 3.302 4.768 0.138 9 0 "[ . 1]" 1
205 1 16 TRP H 1 17 PHE H 0.000 . 3.730 2.926 2.823 2.983 . 0 0 "[ . 1]" 1
206 1 16 TRP HA 1 16 TRP HE3 0.000 . 3.610 3.176 1.994 3.696 0.086 10 0 "[ . 1]" 1
207 1 16 TRP HA 1 19 ILE HB 0.000 . 4.040 3.954 3.410 4.271 0.231 10 0 "[ . 1]" 1
208 1 16 TRP HA 1 19 ILE MD 0.000 . 4.540 2.789 1.920 3.764 . 0 0 "[ . 1]" 1
209 1 16 TRP HA 1 19 ILE MG 0.000 . 6.120 3.697 1.707 4.326 . 0 0 "[ . 1]" 1
210 1 16 TRP HB2 1 16 TRP HE3 0.000 . 4.110 3.902 3.090 4.137 0.027 10 0 "[ . 1]" 1
211 1 16 TRP HB2 1 17 PHE H 0.000 . 4.230 3.218 2.945 3.815 . 0 0 "[ . 1]" 1
212 1 16 TRP HB3 1 16 TRP HE3 0.000 . 4.110 2.936 2.538 4.165 0.055 9 0 "[ . 1]" 1
213 1 16 TRP HB3 1 17 PHE H 0.000 . 4.230 2.541 2.360 2.675 . 0 0 "[ . 1]" 1
214 1 16 TRP HE3 1 17 PHE HA 0.000 . 5.500 4.313 2.405 5.599 0.099 9 0 "[ . 1]" 1
215 1 16 TRP HE3 1 19 ILE MD 0.000 . 5.710 3.682 2.907 4.312 . 0 0 "[ . 1]" 1
216 1 16 TRP HZ3 1 19 ILE MD 0.000 . 5.810 4.035 2.188 4.705 . 0 0 "[ . 1]" 1
217 1 16 TRP HZ3 1 19 ILE MG 0.000 . 5.740 4.033 2.851 4.711 . 0 0 "[ . 1]" 1
218 1 17 PHE H 1 17 PHE HB2 0.000 . 3.450 2.089 2.053 2.111 . 0 0 "[ . 1]" 1
219 1 17 PHE H 1 17 PHE HB3 0.000 . 3.450 3.451 3.425 3.467 0.017 1 0 "[ . 1]" 1
220 1 17 PHE H 1 18 ALA H 0.000 . 3.980 2.951 2.860 3.031 . 0 0 "[ . 1]" 1
221 1 17 PHE HB2 1 18 ALA H 0.000 . 4.290 2.707 2.633 2.798 . 0 0 "[ . 1]" 1
222 1 17 PHE HB3 1 18 ALA H 0.000 . 4.290 3.002 2.923 3.122 . 0 0 "[ . 1]" 1
223 1 17 PHE QD 1 18 ALA HA 0.000 . 7.630 5.495 5.293 5.604 . 0 0 "[ . 1]" 1
224 1 18 ALA H 1 18 ALA MB 0.000 . 3.450 2.118 2.027 2.167 . 0 0 "[ . 1]" 1
225 1 18 ALA MB 1 19 ILE H 0.000 . 4.040 3.439 3.404 3.544 . 0 0 "[ . 1]" 1
226 1 19 ILE H 1 19 ILE HB 0.000 . 3.300 2.528 2.230 3.555 0.255 4 0 "[ . 1]" 1
227 1 19 ILE H 1 19 ILE MD 0.000 . 5.530 3.762 3.475 3.896 . 0 0 "[ . 1]" 1
228 1 19 ILE H 1 19 ILE HG12 0.000 . 3.050 2.436 1.832 3.176 0.126 2 0 "[ . 1]" 1
229 1 19 ILE H 1 19 ILE QG 0.000 . 2.750 2.177 1.815 2.342 . 0 0 "[ . 1]" 1
230 1 19 ILE H 1 19 ILE HG13 0.000 . 3.050 2.858 2.273 3.144 0.094 7 0 "[ . 1]" 1
231 1 19 ILE H 1 19 ILE MG 0.000 . 4.260 3.376 2.085 3.706 . 0 0 "[ . 1]" 1
232 1 19 ILE HA 1 19 ILE HB 0.000 . 2.900 2.884 2.404 3.002 0.102 2 0 "[ . 1]" 1
233 1 19 ILE HA 1 19 ILE MD 0.000 . 4.570 2.931 2.236 4.055 . 0 0 "[ . 1]" 1
234 1 19 ILE HA 1 19 ILE HG12 0.000 . 3.950 2.795 2.331 4.040 0.090 4 0 "[ . 1]" 1
235 1 19 ILE HA 1 19 ILE QG 0.000 . 3.680 2.643 2.284 3.314 . 0 0 "[ . 1]" 1
236 1 19 ILE HA 1 19 ILE HG13 0.000 . 3.950 3.600 3.277 3.731 . 0 0 "[ . 1]" 1
237 1 19 ILE HA 1 22 TRP H 0.000 . 5.410 5.462 5.410 5.527 0.117 10 0 "[ . 1]" 1
238 1 19 ILE HB 1 20 THR H 0.000 . 4.040 4.289 4.206 4.324 0.284 1 0 "[ . 1]" 1
239 1 19 ILE HG12 1 19 ILE MG 0.000 . 3.670 2.841 2.137 3.155 . 0 0 "[ . 1]" 1
240 1 19 ILE HG13 1 19 ILE MG 0.000 . 3.670 2.824 2.571 3.173 . 0 0 "[ . 1]" 1
241 1 19 ILE MG 1 20 THR H 0.000 . 4.840 3.965 3.822 4.200 . 0 0 "[ . 1]" 1
242 1 20 THR H 1 20 THR HB 0.000 . 3.670 2.730 1.981 3.443 . 0 0 "[ . 1]" 1
243 1 20 THR H 1 20 THR MG 0.000 . 3.820 2.978 2.274 3.209 . 0 0 "[ . 1]" 1
244 1 20 THR H 1 21 ASN H 0.000 . 3.980 3.070 3.010 3.233 . 0 0 "[ . 1]" 1
245 1 20 THR HA 1 20 THR MG 0.000 . 3.450 2.499 1.914 3.134 . 0 0 "[ . 1]" 1
246 1 20 THR HA 1 23 LEU H 0.000 . 5.500 3.539 2.842 3.770 . 0 0 "[ . 1]" 1
247 1 20 THR HA 1 23 LEU QB 0.000 . 4.710 3.632 2.317 4.021 . 0 0 "[ . 1]" 1
248 1 20 THR HB 1 21 ASN H 0.000 . 4.320 4.312 4.230 4.443 0.123 3 0 "[ . 1]" 1
249 1 20 THR MG 1 22 TRP H 0.000 . 5.590 4.632 4.558 4.714 . 0 0 "[ . 1]" 1
250 1 21 ASN H 1 21 ASN QD 0.000 . 4.840 3.894 3.084 4.375 . 0 0 "[ . 1]" 1
251 1 21 ASN H 1 22 TRP H 0.000 . 3.760 2.353 2.276 2.386 . 0 0 "[ . 1]" 1
252 1 21 ASN H 1 23 LEU QD 0.000 . 6.270 3.872 3.790 3.976 . 0 0 "[ . 1]" 1
253 1 21 ASN HA 1 24 TRP H 0.000 . 5.380 4.039 3.757 4.236 . 0 0 "[ . 1]" 1
254 1 22 TRP H 1 22 TRP HB2 0.000 . 3.550 3.588 3.555 3.604 0.054 3 0 "[ . 1]" 1
255 1 22 TRP H 1 22 TRP QB 0.000 . 3.310 2.678 2.525 3.001 . 0 0 "[ . 1]" 1
256 1 22 TRP H 1 22 TRP HB3 0.000 . 3.550 2.771 2.583 3.229 . 0 0 "[ . 1]" 1
257 1 22 TRP H 1 22 TRP HD1 0.000 . 3.480 2.434 2.254 2.536 . 0 0 "[ . 1]" 1
258 1 22 TRP H 1 22 TRP HE1 0.000 . 5.500 4.003 3.736 4.077 . 0 0 "[ . 1]" 1
259 1 22 TRP H 1 22 TRP HE3 0.000 . 4.760 4.624 4.452 4.805 0.045 3 0 "[ . 1]" 1
260 1 22 TRP HA 1 25 TYR H 0.000 . 5.500 3.733 3.662 3.780 . 0 0 "[ . 1]" 1
261 1 22 TRP QB 1 23 LEU H 0.000 . 4.310 3.661 3.359 3.740 . 0 0 "[ . 1]" 1
262 1 22 TRP HB2 1 22 TRP HE3 0.000 . 4.070 2.681 2.540 2.741 . 0 0 "[ . 1]" 1
263 1 22 TRP HB2 1 23 LEU H 0.000 . 4.480 4.045 3.539 4.153 . 0 0 "[ . 1]" 1
264 1 22 TRP HB3 1 22 TRP HE3 0.000 . 4.070 4.155 4.078 4.181 0.111 7 0 "[ . 1]" 1
265 1 22 TRP HB3 1 23 LEU H 0.000 . 4.480 4.196 4.070 4.269 . 0 0 "[ . 1]" 1
266 1 22 TRP HE3 1 23 LEU HA 0.000 . 3.640 2.821 2.565 3.284 . 0 0 "[ . 1]" 1
267 1 22 TRP HE3 1 23 LEU QB 0.000 . 6.380 4.527 4.293 4.731 . 0 0 "[ . 1]" 1
268 1 22 TRP HE3 1 23 LEU MD1 0.000 . 5.370 4.235 3.138 4.461 . 0 0 "[ . 1]" 1
269 1 22 TRP HE3 1 23 LEU QD 0.000 . 4.980 3.756 3.012 3.858 . 0 0 "[ . 1]" 1
270 1 22 TRP HE3 1 23 LEU MD2 0.000 . 5.370 4.230 3.885 4.351 . 0 0 "[ . 1]" 1
271 1 22 TRP HZ3 1 23 LEU QD 0.000 . 7.140 3.015 2.508 3.238 . 0 0 "[ . 1]" 1
272 1 23 LEU H 1 23 LEU HB2 0.000 . 3.520 2.131 2.096 2.149 . 0 0 "[ . 1]" 1
273 1 23 LEU H 1 23 LEU QB 0.000 . 3.270 2.113 2.079 2.130 . 0 0 "[ . 1]" 1
274 1 23 LEU H 1 23 LEU HB3 0.000 . 3.520 3.473 3.455 3.483 . 0 0 "[ . 1]" 1
275 1 23 LEU H 1 23 LEU MD1 0.000 . 4.940 2.499 2.392 2.610 . 0 0 "[ . 1]" 1
276 1 23 LEU H 1 23 LEU QD 0.000 . 4.460 2.477 2.376 2.582 . 0 0 "[ . 1]" 1
277 1 23 LEU H 1 23 LEU MD2 0.000 . 4.940 4.084 4.079 4.094 . 0 0 "[ . 1]" 1
278 1 23 LEU H 1 23 LEU HG 0.000 . 2.800 2.851 2.827 2.881 0.081 10 0 "[ . 1]" 1
279 1 23 LEU H 1 24 TRP H 0.000 . 3.520 2.593 2.550 2.706 . 0 0 "[ . 1]" 1
280 1 23 LEU HA 1 23 LEU HB2 0.000 . 2.740 2.974 2.964 2.977 0.237 5 0 "[ . 1]" 1
281 1 23 LEU HA 1 23 LEU HB3 0.000 . 2.740 2.586 2.571 2.612 . 0 0 "[ . 1]" 1
282 1 23 LEU HA 1 23 LEU MD1 0.000 . 4.130 3.564 3.536 3.592 . 0 0 "[ . 1]" 1
283 1 23 LEU HA 1 23 LEU QD 0.000 . 3.540 2.714 2.607 2.769 . 0 0 "[ . 1]" 1
284 1 23 LEU HA 1 23 LEU MD2 0.000 . 4.130 2.815 2.678 2.887 . 0 0 "[ . 1]" 1
285 1 23 LEU HA 1 26 ILE H 0.000 . 4.790 3.712 3.528 3.858 . 0 0 "[ . 1]" 1
286 1 23 LEU HA 1 26 ILE MD 0.000 . 4.660 3.204 3.109 3.311 . 0 0 "[ . 1]" 1
287 1 23 LEU HA 1 26 ILE QG 0.000 . 4.830 2.859 2.736 2.970 . 0 0 "[ . 1]" 1
288 1 23 LEU QB 1 24 TRP H 0.000 . 4.020 2.768 2.744 2.791 . 0 0 "[ . 1]" 1
289 1 23 LEU HB2 1 24 TRP H 0.000 . 4.320 2.871 2.839 2.914 . 0 0 "[ . 1]" 1
290 1 23 LEU HB3 1 24 TRP H 0.000 . 4.320 3.628 3.568 3.659 . 0 0 "[ . 1]" 1
291 1 23 LEU QD 1 24 TRP H 0.000 . 6.800 4.029 3.953 4.094 . 0 0 "[ . 1]" 1
292 1 24 TRP H 1 24 TRP HB2 0.000 . 3.580 2.383 2.001 3.517 . 0 0 "[ . 1]" 1
293 1 24 TRP H 1 24 TRP QB 0.000 . 3.400 2.086 1.975 2.724 . 0 0 "[ . 1]" 1
294 1 24 TRP H 1 24 TRP HB3 0.000 . 3.580 2.922 2.021 3.575 . 0 0 "[ . 1]" 1
295 1 24 TRP H 1 24 TRP HD1 0.000 . 4.010 3.547 1.945 4.031 0.021 5 0 "[ . 1]" 1
296 1 24 TRP HA 1 27 LYS H 0.000 . 5.500 5.593 5.579 5.613 0.113 1 0 "[ . 1]" 1
297 1 24 TRP QB 1 24 TRP HD1 0.000 . 3.440 2.620 2.516 2.947 . 0 0 "[ . 1]" 1
298 1 24 TRP HB2 1 24 TRP HD1 0.000 . 3.730 2.951 2.559 3.852 0.122 7 0 "[ . 1]" 1
299 1 24 TRP HB2 1 25 TYR H 0.000 . 4.320 3.668 3.011 4.320 . 2 0 "[ . 1]" 1
300 1 24 TRP HB3 1 24 TRP HD1 0.000 . 3.730 3.491 2.565 3.812 0.082 3 0 "[ . 1]" 1
301 1 24 TRP HB3 1 25 TYR H 0.000 . 4.320 3.400 3.072 4.181 . 0 0 "[ . 1]" 1
302 1 24 TRP HE3 1 25 TYR HA 0.000 . 5.500 4.317 3.667 5.638 0.138 7 0 "[ . 1]" 1
303 1 25 TYR H 1 25 TYR HB2 0.000 . 3.300 2.369 2.069 2.459 . 0 0 "[ . 1]" 1
304 1 25 TYR H 1 25 TYR QB 0.000 . 3.100 2.159 2.027 2.184 . 0 0 "[ . 1]" 1
305 1 25 TYR H 1 25 TYR HB3 0.000 . 3.300 2.539 2.432 2.912 . 0 0 "[ . 1]" 1
306 1 25 TYR HB2 1 26 ILE H 0.000 . 4.630 3.958 3.623 4.045 . 0 0 "[ . 1]" 1
307 1 25 TYR HB3 1 26 ILE H 0.000 . 4.630 2.889 2.823 2.964 . 0 0 "[ . 1]" 1
308 1 25 TYR QD 1 26 ILE MG 0.000 . 8.650 3.825 3.562 4.919 . 0 0 "[ . 1]" 1
309 1 26 ILE H 1 26 ILE HB 0.000 . 3.420 2.860 2.836 2.881 . 0 0 "[ . 1]" 1
310 1 26 ILE H 1 26 ILE MD 0.000 . 5.750 3.607 3.601 3.616 . 0 0 "[ . 1]" 1
311 1 26 ILE H 1 26 ILE HG12 0.000 . 2.770 2.792 2.788 2.797 0.027 5 0 "[ . 1]" 1
312 1 26 ILE H 1 26 ILE QG 0.000 . 2.510 1.850 1.843 1.860 . 0 0 "[ . 1]" 1
313 1 26 ILE H 1 26 ILE HG13 0.000 . 2.770 1.877 1.870 1.889 . 0 0 "[ . 1]" 1
314 1 26 ILE H 1 26 ILE MG 0.000 . 4.320 3.755 3.752 3.757 . 0 0 "[ . 1]" 1
315 1 26 ILE HA 1 26 ILE HG12 0.000 . 3.790 2.860 2.842 2.877 . 0 0 "[ . 1]" 1
316 1 26 ILE HA 1 26 ILE QG 0.000 . 3.400 2.743 2.728 2.757 . 0 0 "[ . 1]" 1
317 1 26 ILE HA 1 26 ILE HG13 0.000 . 3.790 3.523 3.515 3.530 . 0 0 "[ . 1]" 1
318 1 26 ILE HA 1 26 ILE MG 0.000 . 3.640 2.155 2.143 2.183 . 0 0 "[ . 1]" 1
319 1 26 ILE HA 1 27 LYS H 0.000 . 3.210 2.291 2.288 2.295 . 0 0 "[ . 1]" 1
320 1 26 ILE HB 1 27 LYS H 0.000 . 4.110 4.253 4.249 4.258 0.148 2 0 "[ . 1]" 1
321 1 26 ILE QG 1 27 LYS H 0.000 . 5.760 4.564 4.553 4.569 . 0 0 "[ . 1]" 1
322 1 26 ILE MG 1 27 LYS H 0.000 . 4.440 3.524 3.502 3.564 . 0 0 "[ . 1]" 1
323 1 27 LYS H 1 27 LYS HB2 0.000 . 3.700 2.801 2.113 3.644 . 0 0 "[ . 1]" 1
324 1 27 LYS H 1 27 LYS HB3 0.000 . 3.700 2.790 2.526 3.465 . 0 0 "[ . 1]" 1
325 1 27 LYS H 1 27 LYS QG 0.000 . 4.770 3.019 1.895 3.973 . 0 0 "[ . 1]" 1
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