NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
465551 |
2kiz   |
15948 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kiz
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 860
_Distance_constraint_stats_list.Viol_count 2993
_Distance_constraint_stats_list.Viol_total 5455.188
_Distance_constraint_stats_list.Viol_max 0.340
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0588
_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 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 2 LYS 0.408 0.108 1 0 "[ . 1 . 2 . 3 ]"
1 3 GLN 1.007 0.163 1 0 "[ . 1 . 2 . 3 ]"
1 4 ASP 0.591 0.163 1 0 "[ . 1 . 2 . 3 ]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 6 GLU 1.367 0.109 16 0 "[ . 1 . 2 . 3 ]"
1 7 GLU 0.492 0.151 29 0 "[ . 1 . 2 . 3 ]"
1 8 GLY 0.492 0.151 29 0 "[ . 1 . 2 . 3 ]"
1 9 THR 1.741 0.135 1 0 "[ . 1 . 2 . 3 ]"
1 10 GLU 0.307 0.128 4 0 "[ . 1 . 2 . 3 ]"
1 11 GLU 0.477 0.093 10 0 "[ . 1 . 2 . 3 ]"
1 12 ASP 2.936 0.132 22 0 "[ . 1 . 2 . 3 ]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 14 GLU 3.312 0.202 23 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 3.362 0.120 4 0 "[ . 1 . 2 . 3 ]"
1 16 LYS 3.033 0.157 12 0 "[ . 1 . 2 . 3 ]"
1 17 CYS 6.569 0.191 8 0 "[ . 1 . 2 . 3 ]"
1 18 THR 2.504 0.106 20 0 "[ . 1 . 2 . 3 ]"
1 19 ILE 10.676 0.147 15 0 "[ . 1 . 2 . 3 ]"
1 20 CYS 5.960 0.147 15 0 "[ . 1 . 2 . 3 ]"
1 21 LEU 5.557 0.151 27 0 "[ . 1 . 2 . 3 ]"
1 22 SER 2.442 0.151 27 0 "[ . 1 . 2 . 3 ]"
1 23 ILE 6.682 0.133 19 0 "[ . 1 . 2 . 3 ]"
1 24 LEU 9.100 0.213 12 0 "[ . 1 . 2 . 3 ]"
1 25 GLU 2.848 0.167 7 0 "[ . 1 . 2 . 3 ]"
1 26 GLU 1.924 0.106 2 0 "[ . 1 . 2 . 3 ]"
1 27 GLY 0.022 0.022 17 0 "[ . 1 . 2 . 3 ]"
1 28 GLU 4.341 0.173 12 0 "[ . 1 . 2 . 3 ]"
1 29 ASP 5.152 0.173 12 0 "[ . 1 . 2 . 3 ]"
1 30 VAL 10.228 0.213 19 0 "[ . 1 . 2 . 3 ]"
1 31 ARG 9.294 0.153 19 0 "[ . 1 . 2 . 3 ]"
1 32 ARG 2.755 0.101 27 0 "[ . 1 . 2 . 3 ]"
1 33 LEU 5.414 0.272 13 0 "[ . 1 . 2 . 3 ]"
1 34 PRO 0.596 0.077 9 0 "[ . 1 . 2 . 3 ]"
1 35 CYS 3.308 0.145 12 0 "[ . 1 . 2 . 3 ]"
1 36 MET 3.451 0.152 14 0 "[ . 1 . 2 . 3 ]"
1 37 HIS 9.773 0.302 28 0 "[ . 1 . 2 . 3 ]"
1 38 LEU 14.499 0.215 19 0 "[ . 1 . 2 . 3 ]"
1 39 PHE 11.864 0.153 19 0 "[ . 1 . 2 . 3 ]"
1 40 HIS 2.149 0.100 11 0 "[ . 1 . 2 . 3 ]"
1 41 GLN 7.377 0.159 10 0 "[ . 1 . 2 . 3 ]"
1 42 VAL 7.603 0.138 1 0 "[ . 1 . 2 . 3 ]"
1 43 CYS 15.327 0.213 19 0 "[ . 1 . 2 . 3 ]"
1 44 VAL 2.071 0.079 29 0 "[ . 1 . 2 . 3 ]"
1 45 ASP 7.372 0.105 4 0 "[ . 1 . 2 . 3 ]"
1 46 GLN 0.214 0.057 30 0 "[ . 1 . 2 . 3 ]"
1 47 TRP 14.591 0.194 2 0 "[ . 1 . 2 . 3 ]"
1 48 LEU 7.435 0.109 6 0 "[ . 1 . 2 . 3 ]"
1 49 ILE 2.875 0.097 15 0 "[ . 1 . 2 . 3 ]"
1 50 THR 1.754 0.098 1 0 "[ . 1 . 2 . 3 ]"
1 51 ASN 2.075 0.096 18 0 "[ . 1 . 2 . 3 ]"
1 52 LYS 0.191 0.031 8 0 "[ . 1 . 2 . 3 ]"
1 53 LYS 7.134 0.132 21 0 "[ . 1 . 2 . 3 ]"
1 54 CYS 9.110 0.255 27 0 "[ . 1 . 2 . 3 ]"
1 55 PRO 7.366 0.194 2 0 "[ . 1 . 2 . 3 ]"
1 56 ILE 1.943 0.094 5 0 "[ . 1 . 2 . 3 ]"
1 57 CYS 2.635 0.302 28 0 "[ . 1 . 2 . 3 ]"
1 58 ARG 1.917 0.096 27 0 "[ . 1 . 2 . 3 ]"
1 59 VAL 4.633 0.170 27 0 "[ . 1 . 2 . 3 ]"
1 60 ASP 13.145 0.255 27 0 "[ . 1 . 2 . 3 ]"
1 61 ILE 5.639 0.132 21 0 "[ . 1 . 2 . 3 ]"
1 62 GLU 2.635 0.195 10 0 "[ . 1 . 2 . 3 ]"
1 63 ALA 1.359 0.137 1 0 "[ . 1 . 2 . 3 ]"
1 64 GLN 0.759 0.340 1 0 "[ . 1 . 2 . 3 ]"
1 65 LEU 0.694 0.340 1 0 "[ . 1 . 2 . 3 ]"
1 66 PRO 0.079 0.053 19 0 "[ . 1 . 2 . 3 ]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
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 MET HA 1 2 LYS QB . . 5.380 4.537 3.685 4.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 1 MET HA 1 2 LYS QD . . 7.000 5.248 3.636 6.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 1 MET HA 1 2 LYS QG . . 7.000 5.335 3.995 6.343 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 1 MET QB 1 2 LYS HA . . 5.300 4.239 3.696 4.626 . 0 0 "[ . 1 . 2 . 3 ]" 1
5 1 2 LYS H 1 2 LYS QD . . 6.200 4.127 2.214 5.359 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 LYS H 1 2 LYS QE . . 6.400 4.864 2.123 5.794 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 2 LYS HA 1 3 GLN H . . 3.400 2.621 2.109 3.508 0.108 1 0 "[ . 1 . 2 . 3 ]" 1
8 1 2 LYS QG 1 3 GLN H . . 7.000 3.363 1.938 5.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 3 GLN H 1 3 GLN HA . . 2.900 2.683 2.213 2.953 0.053 3 0 "[ . 1 . 2 . 3 ]" 1
10 1 3 GLN H 1 3 GLN QB . . 3.900 2.947 2.206 3.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 3 GLN H 1 3 GLN QG . . 5.000 3.085 2.037 4.258 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 3 GLN HA 1 4 ASP H . . 2.600 2.419 2.170 2.763 0.163 1 0 "[ . 1 . 2 . 3 ]" 1
13 1 3 GLN QB 1 4 ASP H . . 4.300 2.967 1.918 3.896 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 3 GLN QG 1 4 ASP H . . 5.400 3.763 1.991 4.810 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 4 ASP H 1 4 ASP HA . . 2.900 2.729 2.191 2.976 0.076 1 0 "[ . 1 . 2 . 3 ]" 1
16 1 4 ASP HA 1 5 GLY H . . 3.300 2.461 2.176 3.220 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 5 GLY QA 1 7 GLU H . . 7.000 4.728 3.279 5.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 6 GLU H 1 6 GLU HA . . 2.800 2.683 2.223 2.909 0.109 16 0 "[ . 1 . 2 . 3 ]" 1
19 1 7 GLU HA 1 8 GLY H . . 2.500 2.413 2.188 2.651 0.151 29 0 "[ . 1 . 2 . 3 ]" 1
20 1 7 GLU QB 1 9 THR H . . 7.000 5.392 2.625 6.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 7 GLU QG 1 8 GLY H . . 7.000 3.058 1.858 4.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 7 GLU QG 1 9 THR H . . 7.000 5.144 3.312 6.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 8 GLY H 1 9 THR H . . 5.600 3.696 2.240 5.070 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 9 THR H 1 9 THR HA . . 2.900 2.892 2.636 2.950 0.050 1 0 "[ . 1 . 2 . 3 ]" 1
25 1 9 THR H 1 9 THR HB . . 3.700 3.300 2.417 3.769 0.069 13 0 "[ . 1 . 2 . 3 ]" 1
26 1 9 THR H 1 9 THR MG . . 4.700 2.358 1.829 3.624 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 9 THR H 1 10 GLU H . . 4.600 3.891 1.958 4.622 0.022 16 0 "[ . 1 . 2 . 3 ]" 1
28 1 9 THR HA 1 9 THR HB . . 2.400 2.405 2.267 2.535 0.135 1 0 "[ . 1 . 2 . 3 ]" 1
29 1 9 THR HA 1 9 THR MG . . 3.700 2.883 2.224 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 9 THR HA 1 10 GLU H . . 3.400 2.549 2.165 3.528 0.128 4 0 "[ . 1 . 2 . 3 ]" 1
31 1 9 THR MG 1 10 GLU H . . 6.100 3.837 1.888 4.698 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 11 GLU HA 1 12 ASP H . . 3.400 2.846 2.078 3.493 0.093 10 0 "[ . 1 . 2 . 3 ]" 1
33 1 11 GLU HA 1 12 ASP QB . . 7.000 4.775 4.077 5.639 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 11 GLU QB 1 12 ASP H . . 4.100 3.085 1.901 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 11 GLU QB 1 12 ASP QB . . 8.000 4.054 2.829 5.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 11 GLU QB 1 13 THR H . . 7.000 5.402 3.423 6.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 11 GLU QG 1 12 ASP H . . 5.100 3.051 1.803 4.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 11 GLU QG 1 13 THR H . . 7.000 5.108 4.084 6.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 11 GLU QG 1 36 MET H . . 5.800 4.909 3.943 5.233 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 12 ASP H 1 12 ASP HA . . 2.900 2.609 2.177 2.959 0.059 28 0 "[ . 1 . 2 . 3 ]" 1
41 1 12 ASP H 1 12 ASP QB . . 3.900 2.867 2.307 3.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 12 ASP H 1 13 THR H . . 5.400 3.327 2.036 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 12 ASP HA 1 38 LEU H . . 3.900 3.965 3.834 4.032 0.132 22 0 "[ . 1 . 2 . 3 ]" 1
44 1 13 THR H 1 13 THR HB . . 4.100 2.742 2.386 3.592 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 13 THR H 1 13 THR MG . . 3.800 2.319 1.900 3.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 13 THR HA 1 14 GLU H . . 3.100 2.451 2.010 2.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 13 THR MG 1 14 GLU H . . 4.800 4.019 3.365 4.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 13 THR MG 1 15 GLU H . . 5.400 4.337 3.543 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
49 1 13 THR MG 1 37 HIS H . . 5.300 4.352 3.807 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 14 GLU H 1 14 GLU HA . . 2.900 2.866 2.687 2.951 0.051 10 0 "[ . 1 . 2 . 3 ]" 1
51 1 14 GLU H 1 14 GLU QG . . 5.000 2.759 2.056 4.068 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 14 GLU HA 1 15 GLU H . . 3.200 2.346 2.166 2.818 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 14 GLU HA 1 38 LEU H . . 2.900 2.996 2.878 3.102 0.202 23 0 "[ . 1 . 2 . 3 ]" 1
54 1 14 GLU QB 1 38 LEU HG . . 5.500 4.073 2.548 4.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 15 GLU H 1 15 GLU HA . . 2.800 2.892 2.849 2.920 0.120 4 0 "[ . 1 . 2 . 3 ]" 1
56 1 15 GLU H 1 15 GLU QB . . 3.800 2.709 2.089 3.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 15 GLU H 1 15 GLU QG . . 4.800 3.754 2.344 4.275 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 15 GLU H 1 16 LYS H . . 4.700 3.887 2.885 4.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 15 GLU HA 1 16 LYS H . . 2.700 2.494 2.121 2.817 0.117 1 0 "[ . 1 . 2 . 3 ]" 1
60 1 15 GLU QG 1 16 LYS H . . 5.800 3.296 1.781 4.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 16 LYS H 1 16 LYS HA . . 2.700 2.493 2.215 2.834 0.134 1 0 "[ . 1 . 2 . 3 ]" 1
62 1 16 LYS H 1 16 LYS QD . . 4.600 3.381 1.855 4.155 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 16 LYS H 1 16 LYS QE . . 7.000 4.804 3.148 6.094 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 16 LYS H 1 16 LYS HG2 . . 5.400 3.914 1.938 4.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 16 LYS H 1 16 LYS HG3 . . 5.400 3.774 1.983 5.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 16 LYS HA 1 16 LYS QD . . 4.900 3.673 2.028 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 16 LYS HA 1 16 LYS HG2 . . 3.900 3.450 2.661 4.035 0.135 22 0 "[ . 1 . 2 . 3 ]" 1
68 1 16 LYS HA 1 16 LYS QG . . 3.550 2.866 2.461 3.304 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 16 LYS HA 1 16 LYS HG3 . . 3.900 3.320 2.500 4.019 0.119 16 0 "[ . 1 . 2 . 3 ]" 1
70 1 16 LYS HA 1 17 CYS H . . 3.400 2.326 2.125 2.605 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 16 LYS HA 1 23 ILE HA . . 3.000 2.431 2.023 3.056 0.056 29 0 "[ . 1 . 2 . 3 ]" 1
72 1 16 LYS HA 1 24 LEU H . . 2.500 2.544 2.435 2.657 0.157 12 0 "[ . 1 . 2 . 3 ]" 1
73 1 16 LYS QB 1 17 CYS H . . 5.200 3.215 2.499 3.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 16 LYS QB 1 23 ILE HA . . 6.800 2.490 1.999 3.277 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 16 LYS QD 1 17 CYS H . . 5.600 4.608 3.705 5.135 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 16 LYS QG 1 17 CYS H . . 5.600 3.737 2.471 4.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 17 CYS H 1 17 CYS HA . . 2.700 2.840 2.790 2.891 0.191 8 0 "[ . 1 . 2 . 3 ]" 1
78 1 17 CYS H 1 17 CYS HB2 . . 2.700 2.377 2.218 2.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 17 CYS H 1 17 CYS QB . . 2.450 2.190 2.126 2.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 17 CYS H 1 17 CYS HB3 . . 2.700 2.611 2.311 2.798 0.098 12 0 "[ . 1 . 2 . 3 ]" 1
81 1 17 CYS H 1 18 THR H . . 5.000 4.491 4.341 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 17 CYS H 1 23 ILE HA . . 2.800 2.713 2.382 2.866 0.066 22 0 "[ . 1 . 2 . 3 ]" 1
83 1 17 CYS H 1 24 LEU MD1 . . 5.600 4.193 3.682 4.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 17 CYS H 1 24 LEU QD . . 5.070 3.447 2.087 3.745 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 17 CYS H 1 24 LEU MD2 . . 5.600 3.694 2.090 4.022 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 17 CYS H 1 39 PHE QD . . 7.800 4.737 4.478 4.893 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 17 CYS HA 1 18 THR H . . 2.600 2.171 2.010 2.290 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 17 CYS HA 1 19 ILE H . . 4.400 3.813 3.558 4.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 17 CYS QB 1 18 THR H . . 3.850 3.509 3.452 3.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 17 CYS QB 1 19 ILE H . . 4.820 4.132 3.879 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 17 CYS QB 1 20 CYS H . . 4.980 3.136 2.721 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 17 CYS QB 1 24 LEU QD . . 7.720 2.198 2.042 2.358 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 17 CYS QB 1 39 PHE HA . . 5.180 4.443 4.006 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 17 CYS QB 1 39 PHE QD . . 7.980 3.451 3.105 3.828 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 17 CYS HB2 1 18 THR H . . 4.500 4.149 3.939 4.345 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 17 CYS HB2 1 19 ILE H . . 5.000 5.056 5.012 5.101 0.101 31 0 "[ . 1 . 2 . 3 ]" 1
97 1 17 CYS HB2 1 20 CYS H . . 5.200 4.408 4.134 4.791 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 17 CYS HB2 1 24 LEU QD . . 8.300 2.224 2.065 2.385 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 17 CYS HB3 1 18 THR H . . 4.500 3.794 3.707 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 17 CYS HB3 1 19 ILE H . . 5.000 4.393 4.029 4.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 17 CYS HB3 1 20 CYS H . . 5.200 3.215 2.759 3.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 17 CYS HB3 1 24 LEU QD . . 8.300 3.465 3.095 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 18 THR H 1 18 THR HB . . 3.600 2.849 2.338 3.706 0.106 20 0 "[ . 1 . 2 . 3 ]" 1
104 1 18 THR H 1 18 THR MG . . 3.400 2.773 2.498 2.888 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 18 THR H 1 19 ILE H . . 3.700 2.011 1.932 2.457 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 18 THR H 1 19 ILE HB . . 5.100 3.977 3.824 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 18 THR H 1 20 CYS H . . 5.500 3.504 3.380 3.924 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 18 THR H 1 39 PHE QD . . 6.800 2.947 2.668 3.257 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 18 THR H 1 39 PHE HZ . . 4.300 3.791 3.468 4.013 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 18 THR HA 1 18 THR MG . . 3.600 2.912 2.295 3.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 18 THR HA 1 19 ILE H . . 3.500 3.519 3.470 3.546 0.046 12 0 "[ . 1 . 2 . 3 ]" 1
112 1 18 THR HA 1 20 CYS H . . 4.800 4.097 3.895 4.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 18 THR HA 1 21 LEU QD . . 6.570 3.985 3.794 4.403 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 18 THR HB 1 19 ILE H . . 4.900 3.875 3.667 4.076 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 18 THR HB 1 19 ILE MD . . 6.700 4.020 3.657 4.259 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 18 THR HB 1 20 CYS H . . 5.500 5.549 5.522 5.576 0.076 8 0 "[ . 1 . 2 . 3 ]" 1
117 1 18 THR HB 1 21 LEU QD . . 8.570 5.377 4.368 6.261 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 18 THR HB 1 39 PHE HZ . . 4.600 3.444 2.719 4.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 19 ILE H 1 19 ILE HB . . 3.100 2.248 2.188 2.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 19 ILE H 1 19 ILE MD . . 4.000 2.079 1.925 2.226 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 19 ILE H 1 19 ILE HG12 . . 3.900 3.921 3.825 3.962 0.062 16 0 "[ . 1 . 2 . 3 ]" 1
122 1 19 ILE H 1 19 ILE QG . . 3.700 3.047 2.904 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 19 ILE H 1 19 ILE HG13 . . 3.900 3.177 2.996 3.325 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 19 ILE H 1 19 ILE MG . . 4.300 3.648 3.621 3.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 19 ILE H 1 20 CYS H . . 3.300 2.433 2.364 2.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 19 ILE H 1 20 CYS HA . . 5.100 5.174 5.129 5.247 0.147 15 0 "[ . 1 . 2 . 3 ]" 1
127 1 19 ILE H 1 39 PHE QD . . 7.300 3.916 3.581 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 19 ILE H 1 39 PHE HZ . . 4.700 4.774 4.729 4.833 0.133 15 0 "[ . 1 . 2 . 3 ]" 1
129 1 19 ILE H 1 43 CYS QB . . 6.200 4.427 4.239 4.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 19 ILE HA 1 19 ILE MD . . 4.100 3.404 3.308 3.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 19 ILE HA 1 19 ILE HG12 . . 3.600 3.434 3.329 3.519 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 19 ILE HA 1 19 ILE QG . . 3.390 2.257 2.213 2.370 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 19 ILE HA 1 19 ILE HG13 . . 3.600 2.289 2.242 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 19 ILE HA 1 19 ILE MG . . 3.700 2.511 2.466 2.575 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 19 ILE HA 1 21 LEU H . . 3.500 3.560 3.521 3.608 0.108 31 0 "[ . 1 . 2 . 3 ]" 1
136 1 19 ILE HB 1 19 ILE MD . . 3.400 2.197 2.105 2.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 19 ILE HB 1 20 CYS H . . 3.100 2.779 2.696 2.859 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 19 ILE HB 1 43 CYS HB2 . . 4.100 4.036 3.937 4.118 0.018 12 0 "[ . 1 . 2 . 3 ]" 1
139 1 19 ILE HB 1 43 CYS HB3 . . 4.100 2.642 2.487 2.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 19 ILE MD 1 20 CYS H . . 5.500 3.954 3.731 4.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 19 ILE MD 1 39 PHE HB2 . . 7.000 3.676 3.483 3.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 19 ILE MD 1 39 PHE QB . . 6.840 2.924 2.761 3.192 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 19 ILE MD 1 39 PHE HB3 . . 7.000 3.072 2.896 3.390 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 19 ILE MD 1 43 CYS HB2 . . 5.800 3.901 3.650 4.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 19 ILE MD 1 43 CYS HB3 . . 5.800 2.987 2.616 3.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 19 ILE MD 1 44 VAL HA . . 5.400 4.007 3.671 4.241 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 19 ILE MD 1 47 TRP HB2 . . 6.000 3.361 2.998 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 19 ILE MD 1 47 TRP QB . . 5.640 3.188 2.859 3.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 19 ILE MD 1 47 TRP HB3 . . 6.000 3.966 3.605 4.234 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 19 ILE MD 1 47 TRP HE3 . . 7.000 4.591 4.385 4.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 19 ILE MD 1 47 TRP HZ2 . . 5.300 4.450 4.415 4.485 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 19 ILE MD 1 55 PRO QG . . 8.000 2.051 1.914 2.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 19 ILE QG 1 20 CYS H . . 5.080 4.495 4.422 4.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
154 1 19 ILE QG 1 47 TRP HZ2 . . 4.530 4.077 3.953 4.165 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 19 ILE HG12 1 20 CYS H . . 5.400 5.280 5.232 5.335 . 0 0 "[ . 1 . 2 . 3 ]" 1
156 1 19 ILE HG12 1 47 TRP HZ2 . . 5.000 5.028 4.865 5.080 0.080 15 0 "[ . 1 . 2 . 3 ]" 1
157 1 19 ILE HG13 1 20 CYS H . . 5.400 4.869 4.757 4.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 19 ILE HG13 1 47 TRP HZ2 . . 5.000 4.313 4.135 4.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 19 ILE MG 1 20 CYS H . . 4.100 3.420 3.349 3.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 19 ILE MG 1 43 CYS HB2 . . 5.300 4.109 3.917 4.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 19 ILE MG 1 43 CYS HB3 . . 5.300 2.623 2.405 2.952 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 19 ILE MG 1 47 TRP HE3 . . 7.000 2.749 2.497 3.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 20 CYS H 1 20 CYS HB2 . . 4.000 2.852 2.403 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 20 CYS H 1 20 CYS QB . . 3.340 2.623 2.370 2.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 20 CYS H 1 20 CYS HB3 . . 4.000 3.516 3.034 3.733 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 20 CYS H 1 21 LEU H . . 3.100 2.641 2.444 2.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 20 CYS H 1 22 SER H . . 5.100 3.863 3.648 4.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 20 CYS HA 1 20 CYS HB2 . . 2.900 2.848 2.436 2.997 0.097 5 0 "[ . 1 . 2 . 3 ]" 1
169 1 20 CYS HA 1 20 CYS HB3 . . 2.900 2.361 2.247 2.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 20 CYS QB 1 21 LEU H . . 4.420 3.728 3.534 3.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 20 CYS QB 1 22 SER H . . 4.510 3.360 2.872 4.058 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 20 CYS HB2 1 21 LEU H . . 4.600 3.992 3.720 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
173 1 20 CYS HB2 1 22 SER H . . 5.200 3.472 2.948 4.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 20 CYS HB3 1 21 LEU H . . 4.600 4.493 4.373 4.630 0.030 15 0 "[ . 1 . 2 . 3 ]" 1
175 1 20 CYS HB3 1 22 SER H . . 5.200 4.490 3.871 5.244 0.044 11 0 "[ . 1 . 2 . 3 ]" 1
176 1 21 LEU H 1 21 LEU HA . . 2.400 2.293 2.230 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 21 LEU H 1 21 LEU HB2 . . 4.000 3.119 2.780 3.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 21 LEU H 1 21 LEU HB3 . . 4.000 3.950 3.848 4.032 0.032 31 0 "[ . 1 . 2 . 3 ]" 1
179 1 21 LEU H 1 21 LEU MD1 . . 5.400 2.402 2.043 3.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 21 LEU H 1 21 LEU QD . . 4.530 2.387 2.040 3.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 21 LEU H 1 21 LEU MD2 . . 5.400 4.384 4.089 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 21 LEU H 1 21 LEU HG . . 3.800 3.184 2.569 3.563 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 21 LEU H 1 22 SER H . . 3.900 3.183 3.004 3.727 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 21 LEU HA 1 21 LEU HB2 . . 2.900 2.939 2.834 2.979 0.079 31 0 "[ . 1 . 2 . 3 ]" 1
185 1 21 LEU HA 1 21 LEU QB . . 2.610 2.423 2.330 2.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 21 LEU HA 1 21 LEU HB3 . . 2.900 2.585 2.434 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 21 LEU HA 1 21 LEU MD1 . . 4.300 3.044 2.847 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 21 LEU HA 1 21 LEU QD . . 3.640 2.774 2.720 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 21 LEU HA 1 21 LEU MD2 . . 4.300 3.295 2.818 3.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 21 LEU HA 1 21 LEU HG . . 3.300 2.034 1.956 2.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 21 LEU HA 1 22 SER H . . 3.600 2.803 2.655 3.601 0.001 31 0 "[ . 1 . 2 . 3 ]" 1
192 1 21 LEU QB 1 22 SER H . . 4.420 3.901 2.602 3.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 21 LEU HB2 1 22 SER H . . 4.800 4.415 2.682 4.560 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 21 LEU HB3 1 22 SER H . . 4.800 4.357 3.510 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 21 LEU QD 1 22 SER H . . 7.500 4.507 3.936 4.623 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 21 LEU HG 1 22 SER H . . 4.700 4.774 4.705 4.851 0.151 27 0 "[ . 1 . 2 . 3 ]" 1
197 1 22 SER HA 1 23 ILE H . . 3.300 2.475 2.354 2.642 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 22 SER QB 1 23 ILE H . . 4.400 2.782 2.207 3.307 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 23 ILE H 1 23 ILE HB . . 3.500 3.502 3.440 3.572 0.072 12 0 "[ . 1 . 2 . 3 ]" 1
200 1 23 ILE H 1 23 ILE MD . . 4.100 2.741 1.869 3.520 . 0 0 "[ . 1 . 2 . 3 ]" 1
201 1 23 ILE H 1 23 ILE HG12 . . 3.200 2.633 1.990 3.246 0.046 31 0 "[ . 1 . 2 . 3 ]" 1
202 1 23 ILE H 1 23 ILE HG13 . . 3.200 2.584 1.943 3.333 0.133 19 0 "[ . 1 . 2 . 3 ]" 1
203 1 23 ILE H 1 23 ILE MG . . 3.400 2.482 2.130 2.834 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 23 ILE H 1 24 LEU H . . 4.600 4.649 4.624 4.669 0.069 14 0 "[ . 1 . 2 . 3 ]" 1
205 1 23 ILE HA 1 23 ILE HB . . 2.700 2.519 2.403 2.625 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 23 ILE HA 1 23 ILE MD . . 4.400 3.674 3.584 3.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 23 ILE HA 1 23 ILE HG12 . . 4.100 3.920 3.616 4.190 0.090 22 0 "[ . 1 . 2 . 3 ]" 1
208 1 23 ILE HA 1 23 ILE HG13 . . 4.100 3.920 3.600 4.185 0.085 11 0 "[ . 1 . 2 . 3 ]" 1
209 1 23 ILE HA 1 23 ILE MG . . 3.700 2.175 2.105 2.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 23 ILE HA 1 24 LEU H . . 2.500 2.304 2.243 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 23 ILE HB 1 23 ILE MD . . 3.600 2.596 2.025 3.114 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 23 ILE HB 1 24 LEU H . . 3.500 2.777 2.486 3.021 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 23 ILE QG 1 24 LEU H . . 5.080 4.333 4.053 4.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 23 ILE MG 1 24 LEU H . . 4.300 3.489 3.254 3.695 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 24 LEU H 1 24 LEU HB2 . . 3.300 2.181 2.091 3.513 0.213 12 0 "[ . 1 . 2 . 3 ]" 1
216 1 24 LEU H 1 24 LEU HB3 . . 3.300 3.424 3.349 3.452 0.152 29 0 "[ . 1 . 2 . 3 ]" 1
217 1 24 LEU H 1 24 LEU MD1 . . 4.600 3.733 3.578 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
218 1 24 LEU H 1 24 LEU MD2 . . 4.600 3.797 2.158 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 24 LEU H 1 24 LEU HG . . 2.900 2.821 2.317 2.929 0.029 14 0 "[ . 1 . 2 . 3 ]" 1
220 1 24 LEU H 1 25 GLU H . . 4.600 4.531 4.442 4.603 0.003 31 0 "[ . 1 . 2 . 3 ]" 1
221 1 24 LEU HA 1 25 GLU H . . 2.800 2.351 2.082 2.493 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 24 LEU QB 1 24 LEU HG . . 2.640 2.372 2.326 2.406 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 24 LEU QB 1 25 GLU H . . 4.320 2.426 2.168 3.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 24 LEU QB 1 26 GLU H . . 6.680 4.933 3.719 5.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 24 LEU QB 1 27 GLY H . . 6.380 5.656 5.033 5.744 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 24 LEU HB2 1 25 GLU H . . 4.700 3.774 2.500 4.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 24 LEU HB3 1 25 GLU H . . 4.700 2.490 2.186 3.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 24 LEU QD 1 25 GLU H . . 5.750 2.718 2.511 3.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 24 LEU QD 1 30 VAL QG . . 9.460 2.320 1.953 2.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 24 LEU QD 1 31 ARG H . . 8.570 4.546 4.201 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 24 LEU QD 1 38 LEU H . . 8.570 5.665 5.121 5.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 24 LEU QD 1 39 PHE H . . 6.360 4.252 4.006 4.562 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 24 LEU QD 1 39 PHE HA . . 8.200 2.712 2.386 3.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 24 LEU QD 1 39 PHE QD . . 10.400 3.424 2.943 3.848 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 24 LEU QD 1 40 HIS H . . 4.380 2.638 2.460 2.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 24 LEU QD 1 40 HIS HA . . 8.400 2.909 2.396 3.150 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 24 LEU QD 1 40 HIS HE1 . . 8.400 3.136 2.745 3.723 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 24 LEU MD1 1 25 GLU H . . 7.000 4.201 3.892 4.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 24 LEU MD1 1 39 PHE H . . 6.800 4.535 4.172 4.934 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 24 LEU MD1 1 40 HIS H . . 4.900 3.956 3.465 4.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 24 LEU MD2 1 25 GLU H . . 7.000 2.777 2.542 4.878 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 24 LEU MD2 1 39 PHE H . . 6.800 5.156 4.842 5.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
243 1 24 LEU MD2 1 40 HIS H . . 4.900 2.684 2.496 3.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 24 LEU HG 1 25 GLU H . . 4.400 4.464 4.413 4.508 0.108 28 0 "[ . 1 . 2 . 3 ]" 1
245 1 25 GLU H 1 25 GLU QB . . 3.630 3.083 2.112 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 25 GLU H 1 25 GLU HG2 . . 3.300 2.268 1.965 3.344 0.044 7 0 "[ . 1 . 2 . 3 ]" 1
247 1 25 GLU H 1 25 GLU QG . . 3.030 2.160 1.941 2.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 25 GLU H 1 25 GLU HG3 . . 3.300 3.003 2.220 3.427 0.127 19 0 "[ . 1 . 2 . 3 ]" 1
249 1 25 GLU H 1 40 HIS HD2 . . 6.000 4.428 3.451 4.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 25 GLU HA 1 25 GLU HB2 . . 2.800 2.514 2.400 2.967 0.167 7 0 "[ . 1 . 2 . 3 ]" 1
251 1 25 GLU HA 1 25 GLU HB3 . . 2.800 2.423 2.288 2.617 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 25 GLU HA 1 25 GLU HG2 . . 4.200 3.556 2.432 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 25 GLU HA 1 25 GLU QG . . 3.590 3.226 2.389 3.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 25 GLU HA 1 25 GLU HG3 . . 4.200 3.724 3.156 3.847 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 25 GLU HA 1 26 GLU H . . 2.500 2.314 2.163 2.509 0.009 12 0 "[ . 1 . 2 . 3 ]" 1
256 1 25 GLU QB 1 28 GLU H . . 7.000 5.620 3.383 6.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
257 1 25 GLU QG 1 40 HIS HE1 . . 6.880 2.999 2.225 5.835 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 26 GLU H 1 26 GLU HA . . 2.800 2.842 2.217 2.906 0.106 2 0 "[ . 1 . 2 . 3 ]" 1
259 1 26 GLU H 1 26 GLU QB . . 3.700 2.295 1.998 3.048 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 26 GLU H 1 26 GLU QG . . 4.800 3.126 1.983 4.026 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 26 GLU HA 1 27 GLY H . . 3.000 2.355 2.139 2.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 26 GLU HA 1 28 GLU H . . 4.600 4.337 3.979 4.614 0.014 17 0 "[ . 1 . 2 . 3 ]" 1
263 1 26 GLU QG 1 27 GLY H . . 5.800 4.079 1.951 4.782 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 27 GLY H 1 28 GLU H . . 3.500 2.543 1.994 3.522 0.022 17 0 "[ . 1 . 2 . 3 ]" 1
265 1 28 GLU H 1 28 GLU HB2 . . 3.100 2.693 2.000 2.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
266 1 28 GLU H 1 28 GLU QB . . 2.870 2.478 1.979 2.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 28 GLU H 1 28 GLU HB3 . . 3.100 2.995 2.756 3.171 0.071 28 0 "[ . 1 . 2 . 3 ]" 1
268 1 28 GLU H 1 28 GLU QG . . 4.500 4.006 3.356 4.107 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 28 GLU H 1 29 ASP H . . 4.200 4.156 4.015 4.314 0.114 19 0 "[ . 1 . 2 . 3 ]" 1
270 1 28 GLU HA 1 29 ASP H . . 2.800 2.775 2.501 2.897 0.097 20 0 "[ . 1 . 2 . 3 ]" 1
271 1 28 GLU QB 1 40 HIS HD2 . . 5.490 4.256 3.602 4.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 28 GLU QB 1 41 GLN QB . . 6.050 4.450 3.814 4.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 28 GLU HB2 1 29 ASP H . . 3.500 3.563 3.502 3.673 0.173 12 0 "[ . 1 . 2 . 3 ]" 1
274 1 28 GLU HB2 1 40 HIS HD2 . . 5.800 5.239 4.293 5.803 0.003 10 0 "[ . 1 . 2 . 3 ]" 1
275 1 28 GLU HB3 1 29 ASP H . . 3.500 2.320 2.181 2.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 28 GLU HB3 1 40 HIS HD2 . . 5.800 4.510 3.711 5.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 28 GLU QG 1 29 ASP H . . 6.000 2.149 1.871 3.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 29 ASP H 1 29 ASP QB . . 3.700 2.251 2.136 2.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
279 1 29 ASP H 1 40 HIS HD2 . . 6.000 5.953 5.594 6.100 0.100 11 0 "[ . 1 . 2 . 3 ]" 1
280 1 29 ASP HA 1 30 VAL H . . 3.300 2.291 2.158 2.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 29 ASP QB 1 41 GLN H . . 6.500 4.979 4.706 5.473 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 29 ASP QB 1 41 GLN HB2 . . 6.500 3.582 3.222 4.236 . 0 0 "[ . 1 . 2 . 3 ]" 1
283 1 29 ASP QB 1 41 GLN HB3 . . 6.500 3.833 3.420 4.340 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 29 ASP QB 1 41 GLN HE21 . . 7.000 3.588 1.978 6.239 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 29 ASP QB 1 41 GLN HE22 . . 7.000 3.893 2.156 6.240 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 29 ASP QB 1 42 VAL H . . 6.800 5.629 5.373 6.065 . 0 0 "[ . 1 . 2 . 3 ]" 1
287 1 30 VAL H 1 30 VAL HB . . 3.600 3.649 3.599 3.703 0.103 11 0 "[ . 1 . 2 . 3 ]" 1
288 1 30 VAL H 1 30 VAL MG1 . . 3.400 2.840 2.349 2.894 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 30 VAL H 1 30 VAL MG2 . . 3.400 2.000 1.875 2.115 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 30 VAL H 1 31 ARG H . . 5.100 4.480 4.366 4.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 30 VAL HA 1 30 VAL HB . . 3.000 2.458 2.380 2.522 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 30 VAL HA 1 31 ARG H . . 3.100 2.578 2.397 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 30 VAL HA 1 41 GLN H . . 2.400 1.804 1.757 1.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 30 VAL HA 1 41 GLN QB . . 5.880 2.570 2.150 3.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 30 VAL HA 1 42 VAL H . . 4.300 4.380 4.333 4.415 0.115 2 0 "[ . 1 . 2 . 3 ]" 1
296 1 30 VAL HA 1 43 CYS H . . 5.400 5.527 5.467 5.613 0.213 19 0 "[ . 1 . 2 . 3 ]" 1
297 1 30 VAL HB 1 31 ARG H . . 3.100 2.140 1.991 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 30 VAL HB 1 39 PHE H . . 4.800 4.177 3.952 4.324 . 0 0 "[ . 1 . 2 . 3 ]" 1
299 1 30 VAL HB 1 41 GLN H . . 3.700 3.761 3.500 3.859 0.159 10 0 "[ . 1 . 2 . 3 ]" 1
300 1 30 VAL QG 1 40 HIS H . . 6.560 4.188 3.858 4.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 30 VAL QG 1 40 HIS HA . . 7.260 1.998 1.923 2.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
302 1 30 VAL QG 1 40 HIS HD2 . . 8.560 2.736 2.331 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
303 1 30 VAL QG 1 41 GLN H . . 5.020 2.950 2.409 3.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
304 1 30 VAL MG1 1 31 ARG H . . 4.000 3.480 3.443 3.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
305 1 30 VAL MG1 1 41 GLN H . . 5.400 2.990 2.417 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
306 1 30 VAL MG2 1 31 ARG H . . 4.000 3.335 3.155 3.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
307 1 30 VAL MG2 1 41 GLN H . . 5.400 4.624 4.582 4.641 . 0 0 "[ . 1 . 2 . 3 ]" 1
308 1 31 ARG H 1 31 ARG HA . . 2.800 2.868 2.843 2.904 0.104 15 0 "[ . 1 . 2 . 3 ]" 1
309 1 31 ARG H 1 31 ARG HD2 . . 4.700 4.544 4.383 4.785 0.085 15 0 "[ . 1 . 2 . 3 ]" 1
310 1 31 ARG H 1 31 ARG HD3 . . 4.700 4.638 4.401 4.777 0.077 27 0 "[ . 1 . 2 . 3 ]" 1
311 1 31 ARG H 1 39 PHE H . . 3.300 3.385 3.334 3.453 0.153 19 0 "[ . 1 . 2 . 3 ]" 1
312 1 31 ARG H 1 39 PHE QB . . 6.280 4.463 4.362 4.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
313 1 31 ARG H 1 39 PHE QD . . 8.000 6.167 6.080 6.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
314 1 31 ARG H 1 41 GLN HA . . 3.400 3.410 3.209 3.475 0.075 26 0 "[ . 1 . 2 . 3 ]" 1
315 1 31 ARG HA 1 31 ARG HB2 . . 2.900 2.734 2.364 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
316 1 31 ARG HA 1 31 ARG HB3 . . 2.900 2.960 2.944 3.002 0.102 15 0 "[ . 1 . 2 . 3 ]" 1
317 1 31 ARG HA 1 31 ARG HD2 . . 4.400 2.336 1.994 4.424 0.024 19 0 "[ . 1 . 2 . 3 ]" 1
318 1 31 ARG HA 1 31 ARG QD . . 4.060 2.191 1.969 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
319 1 31 ARG HA 1 31 ARG HD3 . . 4.400 3.134 2.428 3.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
320 1 31 ARG HA 1 32 ARG H . . 3.100 2.300 2.190 2.397 . 0 0 "[ . 1 . 2 . 3 ]" 1
321 1 31 ARG QB 1 31 ARG QD . . 3.080 2.163 2.057 2.328 . 0 0 "[ . 1 . 2 . 3 ]" 1
322 1 31 ARG QB 1 39 PHE H . . 6.200 4.709 4.558 4.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
323 1 31 ARG QB 1 41 GLN H . . 4.470 3.711 3.527 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
324 1 31 ARG QB 1 41 GLN HA . . 4.420 2.035 1.890 2.243 . 0 0 "[ . 1 . 2 . 3 ]" 1
325 1 31 ARG QB 1 41 GLN HE21 . . 7.000 4.602 2.527 5.308 . 0 0 "[ . 1 . 2 . 3 ]" 1
326 1 31 ARG QB 1 41 GLN HE22 . . 7.000 5.584 3.798 6.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
327 1 31 ARG HB2 1 31 ARG HD2 . . 3.800 3.099 2.945 3.611 . 0 0 "[ . 1 . 2 . 3 ]" 1
328 1 31 ARG HB2 1 31 ARG HD3 . . 3.800 2.442 2.124 3.811 0.011 15 0 "[ . 1 . 2 . 3 ]" 1
329 1 31 ARG HB2 1 41 GLN H . . 4.800 3.907 3.636 4.813 0.013 15 0 "[ . 1 . 2 . 3 ]" 1
330 1 31 ARG HB2 1 41 GLN HA . . 4.700 2.236 2.021 3.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
331 1 31 ARG HB3 1 31 ARG HD2 . . 3.800 3.617 2.203 3.832 0.032 23 0 "[ . 1 . 2 . 3 ]" 1
332 1 31 ARG HB3 1 31 ARG HD3 . . 3.800 3.493 2.765 3.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
333 1 31 ARG HB3 1 41 GLN H . . 4.800 4.769 4.063 4.871 0.071 13 0 "[ . 1 . 2 . 3 ]" 1
334 1 31 ARG HB3 1 41 GLN HA . . 4.700 2.489 2.074 2.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
335 1 31 ARG QD 1 32 ARG H . . 6.600 3.458 2.072 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
336 1 31 ARG QD 1 41 GLN HE21 . . 7.000 4.669 2.204 5.740 . 0 0 "[ . 1 . 2 . 3 ]" 1
337 1 31 ARG QD 1 41 GLN HE22 . . 7.000 5.577 3.722 6.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
338 1 32 ARG H 1 32 ARG HA . . 2.900 2.927 2.894 2.945 0.045 21 0 "[ . 1 . 2 . 3 ]" 1
339 1 32 ARG H 1 32 ARG HB2 . . 3.600 3.488 2.243 3.701 0.101 27 0 "[ . 1 . 2 . 3 ]" 1
340 1 32 ARG H 1 32 ARG QB . . 3.390 2.754 2.209 3.018 . 0 0 "[ . 1 . 2 . 3 ]" 1
341 1 32 ARG H 1 32 ARG HB3 . . 3.600 2.949 2.640 3.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
342 1 32 ARG H 1 32 ARG QD . . 5.780 3.069 1.769 4.681 . 0 0 "[ . 1 . 2 . 3 ]" 1
343 1 32 ARG H 1 38 LEU QD . . 6.800 3.700 3.046 4.181 . 0 0 "[ . 1 . 2 . 3 ]" 1
344 1 32 ARG HA 1 32 ARG HD2 . . 5.500 4.568 3.926 5.040 . 0 0 "[ . 1 . 2 . 3 ]" 1
345 1 32 ARG HA 1 32 ARG HD3 . . 5.500 4.395 3.723 4.962 . 0 0 "[ . 1 . 2 . 3 ]" 1
346 1 32 ARG HA 1 33 LEU H . . 3.000 2.280 2.175 2.438 . 0 0 "[ . 1 . 2 . 3 ]" 1
347 1 32 ARG HA 1 33 LEU QD . . 8.070 3.560 2.893 4.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
348 1 32 ARG HA 1 36 MET H . . 6.000 5.817 5.564 6.044 0.044 3 0 "[ . 1 . 2 . 3 ]" 1
349 1 32 ARG HA 1 38 LEU QD . . 7.700 3.521 2.110 3.990 . 0 0 "[ . 1 . 2 . 3 ]" 1
350 1 32 ARG HA 1 39 PHE H . . 3.300 2.564 2.265 3.052 . 0 0 "[ . 1 . 2 . 3 ]" 1
351 1 32 ARG QB 1 32 ARG QD . . 3.280 2.103 1.985 2.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
352 1 32 ARG QB 1 36 MET H . . 6.000 4.178 3.669 5.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
353 1 32 ARG QB 1 37 HIS H . . 7.000 4.942 4.400 6.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
354 1 32 ARG QB 1 38 LEU QD . . 7.710 2.386 2.146 3.911 . 0 0 "[ . 1 . 2 . 3 ]" 1
355 1 32 ARG HB2 1 32 ARG HD2 . . 4.000 3.032 2.089 3.629 . 0 0 "[ . 1 . 2 . 3 ]" 1
356 1 32 ARG HB2 1 32 ARG HD3 . . 4.000 3.473 2.251 4.020 0.020 21 0 "[ . 1 . 2 . 3 ]" 1
357 1 32 ARG HB2 1 38 LEU QD . . 8.200 3.646 2.376 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
358 1 32 ARG HB3 1 32 ARG HD2 . . 4.000 2.590 2.098 3.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
359 1 32 ARG HB3 1 32 ARG HD3 . . 4.000 2.673 2.179 3.795 . 0 0 "[ . 1 . 2 . 3 ]" 1
360 1 32 ARG HB3 1 38 LEU QD . . 8.200 2.569 2.164 4.658 . 0 0 "[ . 1 . 2 . 3 ]" 1
361 1 32 ARG QD 1 33 LEU H . . 6.700 4.945 3.494 5.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
362 1 32 ARG QD 1 38 LEU HA . . 4.730 4.209 3.966 4.321 . 0 0 "[ . 1 . 2 . 3 ]" 1
363 1 32 ARG QD 1 39 PHE H . . 7.000 5.304 4.589 6.069 . 0 0 "[ . 1 . 2 . 3 ]" 1
364 1 32 ARG HD2 1 38 LEU HA . . 5.100 4.663 4.194 5.151 0.051 23 0 "[ . 1 . 2 . 3 ]" 1
365 1 32 ARG HD2 1 38 LEU QD . . 8.400 3.072 2.036 4.898 . 0 0 "[ . 1 . 2 . 3 ]" 1
366 1 32 ARG HD3 1 38 LEU HA . . 5.100 4.857 4.506 5.180 0.080 10 0 "[ . 1 . 2 . 3 ]" 1
367 1 32 ARG HD3 1 38 LEU QD . . 8.400 2.880 2.239 4.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
368 1 32 ARG QG 1 33 LEU H . . 5.900 3.726 2.184 4.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
369 1 32 ARG QG 1 36 MET H . . 7.000 4.425 2.931 4.977 . 0 0 "[ . 1 . 2 . 3 ]" 1
370 1 32 ARG QG 1 37 HIS H . . 7.000 5.770 4.145 6.245 . 0 0 "[ . 1 . 2 . 3 ]" 1
371 1 33 LEU H 1 33 LEU HB2 . . 3.800 2.931 2.257 3.472 . 0 0 "[ . 1 . 2 . 3 ]" 1
372 1 33 LEU H 1 33 LEU QB . . 3.500 2.809 2.232 3.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
373 1 33 LEU H 1 33 LEU HB3 . . 3.800 3.682 3.525 3.806 0.006 12 0 "[ . 1 . 2 . 3 ]" 1
374 1 33 LEU H 1 33 LEU QD . . 4.980 2.205 1.755 3.028 . 0 0 "[ . 1 . 2 . 3 ]" 1
375 1 33 LEU H 1 33 LEU HG . . 3.300 2.642 2.188 3.572 0.272 13 0 "[ . 1 . 2 . 3 ]" 1
376 1 33 LEU H 1 34 PRO QD . . 6.200 4.448 4.371 4.503 . 0 0 "[ . 1 . 2 . 3 ]" 1
377 1 33 LEU H 1 35 CYS H . . 5.400 4.545 3.978 4.985 . 0 0 "[ . 1 . 2 . 3 ]" 1
378 1 33 LEU H 1 36 MET H . . 6.000 4.087 3.757 4.374 . 0 0 "[ . 1 . 2 . 3 ]" 1
379 1 33 LEU H 1 37 HIS H . . 4.700 4.720 4.498 4.795 0.095 20 0 "[ . 1 . 2 . 3 ]" 1
380 1 33 LEU H 1 38 LEU QD . . 7.600 4.982 3.963 5.448 . 0 0 "[ . 1 . 2 . 3 ]" 1
381 1 33 LEU H 1 39 PHE H . . 4.200 4.264 4.127 4.324 0.124 12 0 "[ . 1 . 2 . 3 ]" 1
382 1 33 LEU H 1 39 PHE QD . . 7.900 4.130 3.651 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
383 1 33 LEU HA 1 33 LEU HG . . 3.900 2.903 2.631 3.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
384 1 33 LEU HA 1 35 CYS H . . 5.100 3.976 3.772 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
385 1 33 LEU HA 1 36 MET H . . 6.000 5.177 4.837 5.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
386 1 33 LEU QB 1 33 LEU HG . . 2.660 2.426 2.077 2.514 . 0 0 "[ . 1 . 2 . 3 ]" 1
387 1 33 LEU QB 1 34 PRO QD . . 5.500 2.269 2.072 2.759 . 0 0 "[ . 1 . 2 . 3 ]" 1
388 1 33 LEU QB 1 47 TRP HD1 . . 6.180 5.178 4.583 5.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
389 1 33 LEU HB2 1 33 LEU HG . . 2.900 2.877 2.443 2.984 0.084 1 0 "[ . 1 . 2 . 3 ]" 1
390 1 33 LEU HB2 1 34 PRO QD . . 6.000 3.259 2.677 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
391 1 33 LEU HB2 1 35 CYS H . . 3.900 2.473 2.090 3.401 . 0 0 "[ . 1 . 2 . 3 ]" 1
392 1 33 LEU HB3 1 33 LEU HG . . 2.900 2.641 2.242 2.970 0.070 28 0 "[ . 1 . 2 . 3 ]" 1
393 1 33 LEU HB3 1 34 PRO QD . . 6.000 2.324 2.099 2.812 . 0 0 "[ . 1 . 2 . 3 ]" 1
394 1 33 LEU HB3 1 35 CYS H . . 3.900 3.195 2.457 3.934 0.034 1 0 "[ . 1 . 2 . 3 ]" 1
395 1 33 LEU QD 1 34 PRO QD . . 8.270 3.457 2.622 3.866 . 0 0 "[ . 1 . 2 . 3 ]" 1
396 1 33 LEU QD 1 34 PRO QG . . 9.050 4.787 4.092 5.020 . 0 0 "[ . 1 . 2 . 3 ]" 1
397 1 33 LEU QD 1 37 HIS HD2 . . 7.470 5.305 4.960 5.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
398 1 33 LEU QD 1 39 PHE HZ . . 6.770 4.416 4.107 4.747 . 0 0 "[ . 1 . 2 . 3 ]" 1
399 1 33 LEU QD 1 47 TRP HD1 . . 7.770 2.512 2.131 3.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
400 1 34 PRO HA 1 36 MET H . . 4.300 4.094 3.364 4.377 0.077 9 0 "[ . 1 . 2 . 3 ]" 1
401 1 34 PRO HB2 1 35 CYS H . . 4.600 3.812 2.732 4.322 . 0 0 "[ . 1 . 2 . 3 ]" 1
402 1 34 PRO HB3 1 35 CYS H . . 4.600 4.544 4.036 4.671 0.071 25 0 "[ . 1 . 2 . 3 ]" 1
403 1 34 PRO QD 1 35 CYS H . . 5.200 3.029 2.502 3.352 . 0 0 "[ . 1 . 2 . 3 ]" 1
404 1 35 CYS H 1 35 CYS HB2 . . 3.600 2.885 2.087 3.641 0.041 25 0 "[ . 1 . 2 . 3 ]" 1
405 1 35 CYS H 1 35 CYS QB . . 3.340 2.246 1.970 2.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
406 1 35 CYS H 1 35 CYS HB3 . . 3.600 2.379 2.144 2.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
407 1 35 CYS H 1 36 MET H . . 3.100 2.754 2.479 3.168 0.068 8 0 "[ . 1 . 2 . 3 ]" 1
408 1 35 CYS H 1 37 HIS H . . 5.200 4.682 4.281 5.206 0.006 28 0 "[ . 1 . 2 . 3 ]" 1
409 1 35 CYS H 1 61 ILE MG . . 4.300 2.459 2.108 2.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
410 1 35 CYS HA 1 35 CYS HB2 . . 2.900 2.375 2.277 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
411 1 35 CYS HA 1 35 CYS QB . . 2.610 2.253 2.118 2.342 . 0 0 "[ . 1 . 2 . 3 ]" 1
412 1 35 CYS HA 1 35 CYS HB3 . . 2.900 2.835 2.464 3.005 0.105 9 0 "[ . 1 . 2 . 3 ]" 1
413 1 35 CYS HA 1 36 MET H . . 3.600 3.578 3.444 3.621 0.021 17 0 "[ . 1 . 2 . 3 ]" 1
414 1 35 CYS HB2 1 36 MET H . . 3.900 3.823 3.685 4.045 0.145 12 0 "[ . 1 . 2 . 3 ]" 1
415 1 35 CYS HB3 1 36 MET H . . 3.900 2.854 2.162 3.951 0.051 21 0 "[ . 1 . 2 . 3 ]" 1
416 1 36 MET H 1 36 MET HA . . 2.600 2.615 2.311 2.689 0.089 9 0 "[ . 1 . 2 . 3 ]" 1
417 1 36 MET H 1 36 MET HB2 . . 3.900 3.579 3.293 3.992 0.092 25 0 "[ . 1 . 2 . 3 ]" 1
418 1 36 MET H 1 36 MET QB . . 3.650 3.227 3.139 3.412 . 0 0 "[ . 1 . 2 . 3 ]" 1
419 1 36 MET H 1 36 MET HB3 . . 3.900 3.782 3.414 4.052 0.152 14 0 "[ . 1 . 2 . 3 ]" 1
420 1 36 MET H 1 37 HIS H . . 3.500 2.591 2.265 3.171 . 0 0 "[ . 1 . 2 . 3 ]" 1
421 1 36 MET H 1 61 ILE MG . . 6.200 4.597 4.370 5.118 . 0 0 "[ . 1 . 2 . 3 ]" 1
422 1 36 MET QB 1 37 HIS H . . 3.850 2.618 2.321 3.286 . 0 0 "[ . 1 . 2 . 3 ]" 1
423 1 36 MET HB2 1 37 HIS H . . 4.100 3.291 2.485 4.170 0.070 12 0 "[ . 1 . 2 . 3 ]" 1
424 1 36 MET HB3 1 37 HIS H . . 4.100 2.907 2.471 3.994 . 0 0 "[ . 1 . 2 . 3 ]" 1
425 1 36 MET QG 1 37 HIS H . . 6.200 3.908 2.056 4.558 . 0 0 "[ . 1 . 2 . 3 ]" 1
426 1 37 HIS H 1 37 HIS HB2 . . 3.700 2.539 2.388 2.705 . 0 0 "[ . 1 . 2 . 3 ]" 1
427 1 37 HIS H 1 37 HIS HB3 . . 3.700 3.561 3.432 3.656 . 0 0 "[ . 1 . 2 . 3 ]" 1
428 1 37 HIS H 1 37 HIS HD2 . . 4.500 4.317 3.623 4.570 0.070 14 0 "[ . 1 . 2 . 3 ]" 1
429 1 37 HIS H 1 56 ILE HB . . 5.600 5.620 5.479 5.694 0.094 5 0 "[ . 1 . 2 . 3 ]" 1
430 1 37 HIS H 1 56 ILE MD . . 6.100 4.849 4.462 5.116 . 0 0 "[ . 1 . 2 . 3 ]" 1
431 1 37 HIS HA 1 37 HIS HD2 . . 3.500 2.860 2.360 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
432 1 37 HIS HA 1 38 LEU H . . 2.800 2.333 2.173 2.559 . 0 0 "[ . 1 . 2 . 3 ]" 1
433 1 37 HIS HA 1 38 LEU HB2 . . 5.100 4.330 4.133 4.449 . 0 0 "[ . 1 . 2 . 3 ]" 1
434 1 37 HIS HA 1 38 LEU QB . . 4.450 3.929 3.751 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
435 1 37 HIS HA 1 38 LEU HB3 . . 5.100 4.505 4.298 4.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
436 1 37 HIS HA 1 56 ILE MD . . 7.000 4.224 3.914 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
437 1 37 HIS QB 1 56 ILE MD . . 6.170 2.207 2.036 2.430 . 0 0 "[ . 1 . 2 . 3 ]" 1
438 1 37 HIS HB2 1 37 HIS HD2 . . 3.900 3.846 3.740 3.923 0.023 5 0 "[ . 1 . 2 . 3 ]" 1
439 1 37 HIS HB2 1 38 LEU H . . 3.700 3.850 3.766 3.915 0.215 19 0 "[ . 1 . 2 . 3 ]" 1
440 1 37 HIS HB2 1 56 ILE MD . . 6.800 2.980 2.509 3.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
441 1 37 HIS HB3 1 37 HIS HD2 . . 3.900 2.726 2.520 3.062 . 0 0 "[ . 1 . 2 . 3 ]" 1
442 1 37 HIS HB3 1 38 LEU H . . 3.700 2.813 2.531 2.941 . 0 0 "[ . 1 . 2 . 3 ]" 1
443 1 37 HIS HB3 1 56 ILE MD . . 6.800 2.281 2.089 2.502 . 0 0 "[ . 1 . 2 . 3 ]" 1
444 1 37 HIS HD2 1 38 LEU H . . 4.700 4.142 3.737 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
445 1 37 HIS HD2 1 56 ILE MD . . 7.000 2.967 2.369 4.019 . 0 0 "[ . 1 . 2 . 3 ]" 1
446 1 37 HIS HD2 1 56 ILE MG . . 7.000 3.441 2.980 4.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
447 1 37 HIS HE1 1 56 ILE MG . . 7.000 3.142 2.865 3.918 . 0 0 "[ . 1 . 2 . 3 ]" 1
448 1 37 HIS HE1 1 57 CYS HB2 . . 3.600 3.685 3.625 3.902 0.302 28 0 "[ . 1 . 2 . 3 ]" 1
449 1 37 HIS HE1 1 57 CYS QB . . 3.390 2.208 2.004 3.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
450 1 37 HIS HE1 1 57 CYS HB3 . . 3.600 2.247 2.013 3.607 0.007 12 0 "[ . 1 . 2 . 3 ]" 1
451 1 38 LEU H 1 38 LEU HB2 . . 3.100 2.995 2.856 3.127 0.027 31 0 "[ . 1 . 2 . 3 ]" 1
452 1 38 LEU H 1 38 LEU HB3 . . 3.100 2.529 2.376 2.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
453 1 38 LEU H 1 38 LEU HG . . 4.700 4.616 4.431 4.709 0.009 20 0 "[ . 1 . 2 . 3 ]" 1
454 1 38 LEU HA 1 39 PHE H . . 3.200 2.306 2.171 2.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
455 1 38 LEU QB 1 38 LEU HG . . 2.720 2.440 2.117 2.477 . 0 0 "[ . 1 . 2 . 3 ]" 1
456 1 38 LEU HB2 1 38 LEU HG . . 3.000 2.617 2.326 3.033 0.033 14 0 "[ . 1 . 2 . 3 ]" 1
457 1 38 LEU HB2 1 39 PHE H . . 3.800 3.874 3.817 3.924 0.124 21 0 "[ . 1 . 2 . 3 ]" 1
458 1 38 LEU HB3 1 38 LEU HG . . 3.000 2.942 2.406 3.012 0.012 7 0 "[ . 1 . 2 . 3 ]" 1
459 1 38 LEU HB3 1 39 PHE H . . 3.800 3.866 3.811 3.935 0.135 21 0 "[ . 1 . 2 . 3 ]" 1
460 1 38 LEU QD 1 39 PHE H . . 5.700 2.537 1.771 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
461 1 38 LEU HG 1 39 PHE H . . 6.000 2.199 1.964 4.251 . 0 0 "[ . 1 . 2 . 3 ]" 1
462 1 39 PHE H 1 39 PHE HB2 . . 3.900 2.853 2.774 2.942 . 0 0 "[ . 1 . 2 . 3 ]" 1
463 1 39 PHE H 1 39 PHE QB . . 3.600 2.784 2.712 2.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
464 1 39 PHE H 1 39 PHE HB3 . . 3.900 3.878 3.830 3.915 0.015 26 0 "[ . 1 . 2 . 3 ]" 1
465 1 39 PHE H 1 40 HIS H . . 4.700 4.376 4.269 4.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
466 1 39 PHE H 1 41 GLN HA . . 5.700 5.667 5.540 5.747 0.047 17 0 "[ . 1 . 2 . 3 ]" 1
467 1 39 PHE HA 1 40 HIS H . . 2.900 2.688 2.484 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
468 1 39 PHE QB 1 40 HIS H . . 3.130 1.999 1.959 2.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
469 1 39 PHE QB 1 44 VAL HB . . 4.210 3.399 3.134 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
470 1 39 PHE QB 1 44 VAL QG . . 5.730 2.677 2.508 2.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
471 1 39 PHE HB2 1 40 HIS H . . 3.400 3.396 3.348 3.427 0.027 28 0 "[ . 1 . 2 . 3 ]" 1
472 1 39 PHE HB2 1 44 VAL H . . 4.900 4.297 3.924 4.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
473 1 39 PHE HB2 1 44 VAL HB . . 4.400 3.574 3.239 4.003 . 0 0 "[ . 1 . 2 . 3 ]" 1
474 1 39 PHE HB2 1 44 VAL MG1 . . 6.800 4.902 4.641 5.195 . 0 0 "[ . 1 . 2 . 3 ]" 1
475 1 39 PHE HB2 1 44 VAL MG2 . . 6.800 2.747 2.563 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
476 1 39 PHE HB3 1 40 HIS H . . 3.400 2.013 1.971 2.072 . 0 0 "[ . 1 . 2 . 3 ]" 1
477 1 39 PHE HB3 1 44 VAL H . . 4.900 4.172 3.985 4.363 . 0 0 "[ . 1 . 2 . 3 ]" 1
478 1 39 PHE HB3 1 44 VAL HB . . 4.400 4.274 4.061 4.401 0.001 13 0 "[ . 1 . 2 . 3 ]" 1
479 1 39 PHE HB3 1 44 VAL MG1 . . 6.800 5.608 5.438 5.701 . 0 0 "[ . 1 . 2 . 3 ]" 1
480 1 39 PHE HB3 1 44 VAL MG2 . . 6.800 3.911 3.730 4.111 . 0 0 "[ . 1 . 2 . 3 ]" 1
481 1 39 PHE QD 1 40 HIS H . . 7.700 3.147 2.801 3.387 . 0 0 "[ . 1 . 2 . 3 ]" 1
482 1 39 PHE QD 1 44 VAL H . . 8.000 5.672 5.347 6.014 . 0 0 "[ . 1 . 2 . 3 ]" 1
483 1 39 PHE QE 1 40 HIS H . . 8.000 5.449 5.146 5.633 . 0 0 "[ . 1 . 2 . 3 ]" 1
484 1 39 PHE QE 1 56 ILE H . . 7.600 3.919 3.534 4.242 . 0 0 "[ . 1 . 2 . 3 ]" 1
485 1 39 PHE QE 1 56 ILE HB . . 8.000 4.538 3.961 5.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
486 1 39 PHE QE 1 56 ILE MD . . 8.600 2.515 2.084 2.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
487 1 39 PHE HZ 1 56 ILE H . . 5.000 4.488 3.911 4.976 . 0 0 "[ . 1 . 2 . 3 ]" 1
488 1 39 PHE HZ 1 56 ILE MD . . 5.600 2.179 1.979 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
489 1 40 HIS H 1 40 HIS HB2 . . 3.600 2.287 1.996 2.550 . 0 0 "[ . 1 . 2 . 3 ]" 1
490 1 40 HIS H 1 40 HIS QB . . 3.340 2.260 1.982 2.504 . 0 0 "[ . 1 . 2 . 3 ]" 1
491 1 40 HIS H 1 40 HIS HB3 . . 3.600 3.547 3.350 3.657 0.057 12 0 "[ . 1 . 2 . 3 ]" 1
492 1 40 HIS H 1 40 HIS HD2 . . 6.000 4.918 4.823 5.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
493 1 40 HIS H 1 41 GLN H . . 4.700 4.642 4.588 4.703 0.003 28 0 "[ . 1 . 2 . 3 ]" 1
494 1 40 HIS H 1 43 CYS H . . 5.000 4.309 4.038 4.600 . 0 0 "[ . 1 . 2 . 3 ]" 1
495 1 40 HIS H 1 43 CYS QB . . 5.100 2.727 2.380 2.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
496 1 40 HIS H 1 44 VAL HB . . 5.100 5.085 4.901 5.136 0.036 17 0 "[ . 1 . 2 . 3 ]" 1
497 1 40 HIS HA 1 40 HIS HD2 . . 4.300 2.951 2.636 3.188 . 0 0 "[ . 1 . 2 . 3 ]" 1
498 1 40 HIS HA 1 40 HIS HE1 . . 6.000 5.897 5.792 6.001 0.001 16 0 "[ . 1 . 2 . 3 ]" 1
499 1 40 HIS HA 1 41 GLN H . . 3.200 2.299 2.211 2.356 . 0 0 "[ . 1 . 2 . 3 ]" 1
500 1 40 HIS HA 1 42 VAL H . . 5.100 4.421 4.278 4.632 . 0 0 "[ . 1 . 2 . 3 ]" 1
501 1 40 HIS HA 1 43 CYS H . . 5.900 4.316 4.229 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
502 1 40 HIS QB 1 41 GLN H . . 3.970 2.812 2.520 3.102 . 0 0 "[ . 1 . 2 . 3 ]" 1
503 1 40 HIS QB 1 42 VAL H . . 4.440 2.920 2.735 3.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
504 1 40 HIS QB 1 43 CYS H . . 3.390 2.192 1.974 2.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
505 1 40 HIS QB 1 43 CYS QB . . 4.560 2.030 1.941 2.214 . 0 0 "[ . 1 . 2 . 3 ]" 1
506 1 40 HIS HB2 1 41 GLN H . . 4.400 4.031 3.756 4.315 . 0 0 "[ . 1 . 2 . 3 ]" 1
507 1 40 HIS HB2 1 42 VAL H . . 5.000 4.364 3.843 5.002 0.002 28 0 "[ . 1 . 2 . 3 ]" 1
508 1 40 HIS HB2 1 43 CYS H . . 3.600 2.695 2.356 3.268 . 0 0 "[ . 1 . 2 . 3 ]" 1
509 1 40 HIS HB2 1 43 CYS HB2 . . 5.650 2.075 2.016 2.248 . 0 0 "[ . 1 . 2 . 3 ]" 1
510 1 40 HIS HB2 1 43 CYS HB3 . . 5.650 3.497 3.349 3.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
511 1 40 HIS HB3 1 41 GLN H . . 4.400 2.870 2.559 3.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
512 1 40 HIS HB3 1 42 VAL H . . 5.000 2.969 2.771 3.280 . 0 0 "[ . 1 . 2 . 3 ]" 1
513 1 40 HIS HB3 1 43 CYS H . . 3.600 2.452 1.995 2.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
514 1 40 HIS HB3 1 43 CYS HB2 . . 5.650 3.230 2.443 3.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
515 1 40 HIS HB3 1 43 CYS HB3 . . 5.650 4.779 3.994 5.368 . 0 0 "[ . 1 . 2 . 3 ]" 1
516 1 40 HIS HD2 1 41 GLN H . . 5.400 3.736 3.161 4.269 . 0 0 "[ . 1 . 2 . 3 ]" 1
517 1 40 HIS HD2 1 42 VAL H . . 6.000 4.639 4.153 5.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
518 1 41 GLN H 1 41 GLN HB2 . . 3.300 2.502 2.408 2.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
519 1 41 GLN H 1 41 GLN QB . . 3.030 2.191 2.093 2.341 . 0 0 "[ . 1 . 2 . 3 ]" 1
520 1 41 GLN H 1 41 GLN HB3 . . 3.300 2.433 2.242 2.685 . 0 0 "[ . 1 . 2 . 3 ]" 1
521 1 41 GLN H 1 42 VAL H . . 4.500 2.732 2.686 2.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
522 1 41 GLN H 1 42 VAL QG . . 8.000 4.476 4.007 4.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
523 1 41 GLN H 1 43 CYS H . . 5.700 3.808 3.738 3.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
524 1 41 GLN H 1 43 CYS QB . . 7.000 4.821 4.695 4.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
525 1 41 GLN H 1 44 VAL H . . 6.000 4.685 4.594 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
526 1 41 GLN HA 1 41 GLN HE21 . . 6.000 4.846 3.919 5.443 . 0 0 "[ . 1 . 2 . 3 ]" 1
527 1 41 GLN HA 1 41 GLN HE22 . . 6.000 5.837 5.426 6.045 0.045 3 0 "[ . 1 . 2 . 3 ]" 1
528 1 41 GLN HA 1 43 CYS H . . 3.800 3.900 3.861 3.925 0.125 3 0 "[ . 1 . 2 . 3 ]" 1
529 1 41 GLN HA 1 44 VAL H . . 3.900 3.280 3.167 3.395 . 0 0 "[ . 1 . 2 . 3 ]" 1
530 1 41 GLN HA 1 44 VAL HB . . 4.300 2.903 2.652 3.125 . 0 0 "[ . 1 . 2 . 3 ]" 1
531 1 41 GLN HA 1 44 VAL MG1 . . 5.800 2.893 2.669 3.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
532 1 41 GLN HA 1 44 VAL QG . . 5.480 2.845 2.632 3.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
533 1 41 GLN HA 1 44 VAL MG2 . . 5.800 4.224 3.948 4.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
534 1 41 GLN HA 1 45 ASP H . . 5.600 4.546 4.303 4.805 . 0 0 "[ . 1 . 2 . 3 ]" 1
535 1 41 GLN QB 1 42 VAL H . . 3.560 2.197 2.029 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
536 1 41 GLN QB 1 43 CYS H . . 5.980 4.327 4.202 4.424 . 0 0 "[ . 1 . 2 . 3 ]" 1
537 1 41 GLN HB2 1 42 VAL H . . 4.000 3.655 3.564 3.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
538 1 41 GLN HB3 1 42 VAL H . . 4.000 2.215 2.041 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1
539 1 42 VAL H 1 42 VAL HB . . 2.900 2.085 2.049 2.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
540 1 42 VAL H 1 43 CYS H . . 3.600 2.756 2.705 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
541 1 42 VAL H 1 43 CYS QB . . 6.500 4.762 4.696 4.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
542 1 42 VAL H 1 44 VAL H . . 6.000 4.347 4.266 4.447 . 0 0 "[ . 1 . 2 . 3 ]" 1
543 1 42 VAL HA 1 42 VAL HB . . 2.700 2.701 2.582 2.733 0.033 4 0 "[ . 1 . 2 . 3 ]" 1
544 1 42 VAL HA 1 43 CYS H . . 3.400 3.429 3.401 3.443 0.043 15 0 "[ . 1 . 2 . 3 ]" 1
545 1 42 VAL HA 1 45 ASP H . . 3.600 3.615 3.552 3.650 0.050 30 0 "[ . 1 . 2 . 3 ]" 1
546 1 42 VAL HA 1 45 ASP HB2 . . 3.700 3.692 3.418 3.742 0.042 5 0 "[ . 1 . 2 . 3 ]" 1
547 1 42 VAL HA 1 45 ASP QB . . 3.490 2.858 2.648 3.083 . 0 0 "[ . 1 . 2 . 3 ]" 1
548 1 42 VAL HA 1 45 ASP HB3 . . 3.700 2.982 2.711 3.287 . 0 0 "[ . 1 . 2 . 3 ]" 1
549 1 42 VAL HA 1 46 GLN H . . 4.800 4.380 4.114 4.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
550 1 42 VAL HB 1 43 CYS H . . 3.700 3.795 3.768 3.838 0.138 1 0 "[ . 1 . 2 . 3 ]" 1
551 1 42 VAL QG 1 43 CYS H . . 5.700 2.697 2.433 2.811 . 0 0 "[ . 1 . 2 . 3 ]" 1
552 1 43 CYS H 1 43 CYS HB2 . . 3.500 2.352 2.331 2.382 . 0 0 "[ . 1 . 2 . 3 ]" 1
553 1 43 CYS H 1 43 CYS QB . . 3.240 2.322 2.302 2.351 . 0 0 "[ . 1 . 2 . 3 ]" 1
554 1 43 CYS H 1 43 CYS HB3 . . 3.500 3.593 3.578 3.613 0.113 13 0 "[ . 1 . 2 . 3 ]" 1
555 1 43 CYS H 1 44 VAL H . . 3.400 2.396 2.327 2.460 . 0 0 "[ . 1 . 2 . 3 ]" 1
556 1 43 CYS H 1 44 VAL QG . . 8.560 4.278 4.223 4.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
557 1 43 CYS H 1 45 ASP H . . 4.400 3.744 3.619 3.838 . 0 0 "[ . 1 . 2 . 3 ]" 1
558 1 43 CYS HA 1 46 GLN H . . 4.000 3.679 3.510 3.963 . 0 0 "[ . 1 . 2 . 3 ]" 1
559 1 43 CYS HA 1 46 GLN QB . . 5.100 3.416 2.599 4.428 . 0 0 "[ . 1 . 2 . 3 ]" 1
560 1 43 CYS QB 1 44 VAL H . . 4.500 2.610 2.540 2.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
561 1 43 CYS QB 1 44 VAL HA . . 4.520 3.654 3.582 3.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
562 1 43 CYS QB 1 44 VAL HB . . 4.920 3.933 3.842 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
563 1 43 CYS QB 1 45 ASP H . . 4.670 4.288 4.270 4.303 . 0 0 "[ . 1 . 2 . 3 ]" 1
564 1 43 CYS HB2 1 44 VAL H . . 4.000 2.688 2.620 2.787 . 0 0 "[ . 1 . 2 . 3 ]" 1
565 1 43 CYS HB2 1 44 VAL HA . . 4.700 4.219 4.113 4.333 . 0 0 "[ . 1 . 2 . 3 ]" 1
566 1 43 CYS HB2 1 44 VAL HB . . 5.100 4.121 4.037 4.253 . 0 0 "[ . 1 . 2 . 3 ]" 1
567 1 43 CYS HB2 1 45 ASP H . . 4.900 4.701 4.652 4.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
568 1 43 CYS HB3 1 44 VAL H . . 4.000 3.536 3.418 3.643 . 0 0 "[ . 1 . 2 . 3 ]" 1
569 1 43 CYS HB3 1 44 VAL HA . . 4.700 4.004 3.882 4.176 . 0 0 "[ . 1 . 2 . 3 ]" 1
570 1 43 CYS HB3 1 44 VAL HB . . 5.100 4.974 4.817 5.121 0.021 19 0 "[ . 1 . 2 . 3 ]" 1
571 1 43 CYS HB3 1 45 ASP H . . 4.900 4.948 4.928 4.984 0.084 12 0 "[ . 1 . 2 . 3 ]" 1
572 1 44 VAL H 1 44 VAL HB . . 3.400 2.014 1.983 2.035 . 0 0 "[ . 1 . 2 . 3 ]" 1
573 1 44 VAL H 1 44 VAL MG1 . . 4.100 2.861 2.840 2.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
574 1 44 VAL H 1 44 VAL QG . . 3.580 2.725 2.713 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
575 1 44 VAL H 1 44 VAL MG2 . . 4.100 3.427 3.369 3.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
576 1 44 VAL H 1 45 ASP H . . 3.300 2.487 2.426 2.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
577 1 44 VAL HA 1 46 GLN H . . 5.800 5.354 5.226 5.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
578 1 44 VAL HA 1 47 TRP H . . 4.000 3.859 3.700 3.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
579 1 44 VAL HA 1 47 TRP HB2 . . 4.000 3.498 3.322 3.644 . 0 0 "[ . 1 . 2 . 3 ]" 1
580 1 44 VAL HA 1 47 TRP HB3 . . 4.000 2.575 2.482 2.686 . 0 0 "[ . 1 . 2 . 3 ]" 1
581 1 44 VAL HA 1 48 LEU H . . 4.700 3.847 3.733 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
582 1 44 VAL HB 1 45 ASP H . . 3.500 3.557 3.529 3.579 0.079 29 0 "[ . 1 . 2 . 3 ]" 1
583 1 44 VAL QG 1 45 ASP H . . 4.630 2.466 2.368 2.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
584 1 44 VAL QG 1 47 TRP QB . . 6.530 3.565 3.433 3.661 . 0 0 "[ . 1 . 2 . 3 ]" 1
585 1 44 VAL MG1 1 45 ASP H . . 5.900 2.483 2.380 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
586 1 44 VAL MG1 1 47 TRP HB2 . . 7.550 5.797 5.675 5.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
587 1 44 VAL MG1 1 47 TRP HB3 . . 7.550 4.775 4.635 4.886 . 0 0 "[ . 1 . 2 . 3 ]" 1
588 1 44 VAL MG2 1 45 ASP H . . 5.900 4.212 4.185 4.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
589 1 44 VAL MG2 1 47 TRP HB2 . . 7.550 4.861 4.656 5.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
590 1 44 VAL MG2 1 47 TRP HB3 . . 7.550 3.864 3.701 3.980 . 0 0 "[ . 1 . 2 . 3 ]" 1
591 1 45 ASP H 1 45 ASP HA . . 2.900 2.933 2.920 2.943 0.043 18 0 "[ . 1 . 2 . 3 ]" 1
592 1 45 ASP H 1 45 ASP HB2 . . 3.200 2.782 2.493 2.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
593 1 45 ASP H 1 45 ASP QB . . 2.930 2.267 2.187 2.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
594 1 45 ASP H 1 45 ASP HB3 . . 3.200 2.412 2.272 2.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
595 1 45 ASP H 1 46 GLN H . . 3.400 2.985 2.848 3.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
596 1 45 ASP HA 1 48 LEU H . . 4.200 3.605 3.396 3.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
597 1 45 ASP HA 1 48 LEU HB2 . . 4.000 2.768 2.621 2.887 . 0 0 "[ . 1 . 2 . 3 ]" 1
598 1 45 ASP HA 1 48 LEU QB . . 3.750 2.725 2.590 2.829 . 0 0 "[ . 1 . 2 . 3 ]" 1
599 1 45 ASP HA 1 48 LEU HB3 . . 4.000 4.069 4.034 4.105 0.105 4 0 "[ . 1 . 2 . 3 ]" 1
600 1 45 ASP HA 1 48 LEU QD . . 6.670 3.273 3.030 3.694 . 0 0 "[ . 1 . 2 . 3 ]" 1
601 1 45 ASP QB 1 46 GLN H . . 3.700 2.162 2.070 2.221 . 0 0 "[ . 1 . 2 . 3 ]" 1
602 1 45 ASP HB2 1 46 GLN H . . 4.000 3.677 3.593 3.720 . 0 0 "[ . 1 . 2 . 3 ]" 1
603 1 45 ASP HB3 1 46 GLN H . . 4.000 2.177 2.082 2.238 . 0 0 "[ . 1 . 2 . 3 ]" 1
604 1 46 GLN H 1 46 GLN HG2 . . 3.300 2.780 2.049 3.324 0.024 12 0 "[ . 1 . 2 . 3 ]" 1
605 1 46 GLN H 1 46 GLN QG . . 3.080 2.221 2.010 2.576 . 0 0 "[ . 1 . 2 . 3 ]" 1
606 1 46 GLN H 1 46 GLN HG3 . . 3.300 2.651 2.027 3.357 0.057 30 0 "[ . 1 . 2 . 3 ]" 1
607 1 46 GLN H 1 47 TRP H . . 3.400 2.818 2.731 2.914 . 0 0 "[ . 1 . 2 . 3 ]" 1
608 1 46 GLN HA 1 46 GLN HE22 . . 6.870 5.564 3.897 6.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
609 1 46 GLN HA 1 46 GLN HG2 . . 3.800 2.655 2.213 3.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
610 1 46 GLN HA 1 46 GLN HG3 . . 3.800 3.426 2.970 3.801 0.001 30 0 "[ . 1 . 2 . 3 ]" 1
611 1 46 GLN HA 1 49 ILE H . . 4.000 3.268 3.069 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
612 1 46 GLN HA 1 49 ILE HB . . 4.100 2.696 2.351 3.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
613 1 46 GLN HA 1 49 ILE MD . . 5.000 4.085 3.576 4.198 . 0 0 "[ . 1 . 2 . 3 ]" 1
614 1 46 GLN HA 1 49 ILE QG . . 5.180 2.407 2.071 2.511 . 0 0 "[ . 1 . 2 . 3 ]" 1
615 1 46 GLN QG 1 47 TRP H . . 5.880 3.886 2.365 4.379 . 0 0 "[ . 1 . 2 . 3 ]" 1
616 1 47 TRP H 1 47 TRP HB2 . . 3.000 2.496 2.400 2.547 . 0 0 "[ . 1 . 2 . 3 ]" 1
617 1 47 TRP H 1 47 TRP QB . . 3.800 2.237 2.141 2.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
618 1 47 TRP H 1 47 TRP HB3 . . 3.000 2.528 2.403 2.603 . 0 0 "[ . 1 . 2 . 3 ]" 1
619 1 47 TRP H 1 47 TRP HD1 . . 5.500 5.056 4.920 5.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
620 1 47 TRP H 1 47 TRP HE3 . . 4.500 4.519 4.473 4.575 0.075 26 0 "[ . 1 . 2 . 3 ]" 1
621 1 47 TRP H 1 48 LEU H . . 4.200 2.772 2.713 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
622 1 47 TRP HA 1 47 TRP HE3 . . 3.600 2.067 1.990 2.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
623 1 47 TRP HA 1 50 THR H . . 5.600 3.312 3.101 3.995 . 0 0 "[ . 1 . 2 . 3 ]" 1
624 1 47 TRP QB 1 48 LEU H . . 3.610 2.298 2.160 2.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
625 1 47 TRP HB2 1 48 LEU H . . 4.000 3.730 3.611 3.796 . 0 0 "[ . 1 . 2 . 3 ]" 1
626 1 47 TRP HB3 1 48 LEU H . . 4.000 2.320 2.177 2.409 . 0 0 "[ . 1 . 2 . 3 ]" 1
627 1 47 TRP HD1 1 48 LEU H . . 5.100 3.933 3.864 4.110 . 0 0 "[ . 1 . 2 . 3 ]" 1
628 1 47 TRP HD1 1 48 LEU HA . . 6.000 4.378 4.080 4.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
629 1 47 TRP HD1 1 55 PRO QD . . 6.880 3.328 2.906 3.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
630 1 47 TRP HE1 1 48 LEU H . . 6.000 6.082 6.045 6.109 0.109 6 0 "[ . 1 . 2 . 3 ]" 1
631 1 47 TRP HE1 1 51 ASN HB2 . . 4.100 3.851 3.242 4.185 0.085 1 0 "[ . 1 . 2 . 3 ]" 1
632 1 47 TRP HE1 1 51 ASN HB3 . . 4.100 3.553 2.783 3.979 . 0 0 "[ . 1 . 2 . 3 ]" 1
633 1 47 TRP HE1 1 53 LYS H . . 4.600 4.075 3.579 4.674 0.074 18 0 "[ . 1 . 2 . 3 ]" 1
634 1 47 TRP HE1 1 55 PRO HA . . 4.300 3.858 3.534 4.340 0.040 29 0 "[ . 1 . 2 . 3 ]" 1
635 1 47 TRP HE1 1 55 PRO HB2 . . 4.500 4.649 4.578 4.694 0.194 2 0 "[ . 1 . 2 . 3 ]" 1
636 1 47 TRP HE1 1 55 PRO HB3 . . 4.500 3.282 2.981 3.820 . 0 0 "[ . 1 . 2 . 3 ]" 1
637 1 47 TRP HE1 1 55 PRO HD2 . . 4.600 3.647 3.596 3.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
638 1 47 TRP HE1 1 55 PRO QD . . 4.320 1.949 1.890 1.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
639 1 47 TRP HE1 1 55 PRO HD3 . . 4.600 1.957 1.896 1.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
640 1 47 TRP HE1 1 55 PRO QG . . 6.600 3.003 2.348 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
641 1 47 TRP HZ2 1 55 PRO HA . . 5.000 2.485 2.123 3.075 . 0 0 "[ . 1 . 2 . 3 ]" 1
642 1 47 TRP HZ2 1 55 PRO HB2 . . 4.300 3.692 3.469 3.920 . 0 0 "[ . 1 . 2 . 3 ]" 1
643 1 47 TRP HZ2 1 55 PRO HB3 . . 4.300 2.151 2.025 2.320 . 0 0 "[ . 1 . 2 . 3 ]" 1
644 1 47 TRP HZ2 1 55 PRO HD2 . . 4.900 4.986 4.918 5.061 0.161 1 0 "[ . 1 . 2 . 3 ]" 1
645 1 47 TRP HZ2 1 55 PRO QD . . 4.530 3.715 3.529 3.876 . 0 0 "[ . 1 . 2 . 3 ]" 1
646 1 47 TRP HZ2 1 55 PRO HD3 . . 4.900 3.837 3.610 4.055 . 0 0 "[ . 1 . 2 . 3 ]" 1
647 1 47 TRP HZ2 1 55 PRO QG . . 7.000 3.615 2.896 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
648 1 47 TRP HZ3 1 50 THR H . . 6.000 6.036 5.907 6.098 0.098 1 0 "[ . 1 . 2 . 3 ]" 1
649 1 47 TRP HZ3 1 51 ASN H . . 4.400 4.428 4.252 4.496 0.096 18 0 "[ . 1 . 2 . 3 ]" 1
650 1 47 TRP HZ3 1 51 ASN HB2 . . 6.000 3.823 3.342 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
651 1 47 TRP HZ3 1 51 ASN QB . . 5.840 3.621 3.266 4.134 . 0 0 "[ . 1 . 2 . 3 ]" 1
652 1 47 TRP HZ3 1 51 ASN HB3 . . 6.000 4.960 3.613 5.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
653 1 48 LEU H 1 48 LEU HB2 . . 3.300 2.071 2.039 2.106 . 0 0 "[ . 1 . 2 . 3 ]" 1
654 1 48 LEU H 1 48 LEU QB . . 3.030 2.053 2.022 2.086 . 0 0 "[ . 1 . 2 . 3 ]" 1
655 1 48 LEU H 1 48 LEU HB3 . . 3.300 3.375 3.348 3.395 0.095 19 0 "[ . 1 . 2 . 3 ]" 1
656 1 48 LEU H 1 48 LEU MD1 . . 5.400 3.650 3.536 3.789 . 0 0 "[ . 1 . 2 . 3 ]" 1
657 1 48 LEU H 1 48 LEU QD . . 4.910 3.375 3.317 3.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
658 1 48 LEU H 1 48 LEU MD2 . . 5.400 3.980 3.806 4.081 . 0 0 "[ . 1 . 2 . 3 ]" 1
659 1 48 LEU H 1 48 LEU HG . . 3.100 2.961 2.796 3.103 0.003 29 0 "[ . 1 . 2 . 3 ]" 1
660 1 48 LEU H 1 49 ILE H . . 3.600 2.933 2.863 3.027 . 0 0 "[ . 1 . 2 . 3 ]" 1
661 1 48 LEU H 1 50 THR H . . 5.300 4.381 4.260 4.772 . 0 0 "[ . 1 . 2 . 3 ]" 1
662 1 48 LEU HA 1 48 LEU MD1 . . 4.500 3.761 3.731 3.780 . 0 0 "[ . 1 . 2 . 3 ]" 1
663 1 48 LEU HA 1 48 LEU QD . . 3.670 2.057 2.000 2.129 . 0 0 "[ . 1 . 2 . 3 ]" 1
664 1 48 LEU HA 1 48 LEU MD2 . . 4.500 2.066 2.007 2.142 . 0 0 "[ . 1 . 2 . 3 ]" 1
665 1 48 LEU HA 1 48 LEU HG . . 4.200 2.563 2.387 2.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
666 1 48 LEU HA 1 50 THR H . . 4.300 4.218 3.529 4.351 0.051 27 0 "[ . 1 . 2 . 3 ]" 1
667 1 48 LEU QB 1 48 LEU HG . . 2.680 2.404 2.381 2.440 . 0 0 "[ . 1 . 2 . 3 ]" 1
668 1 48 LEU QB 1 49 ILE H . . 4.690 2.896 2.744 3.152 . 0 0 "[ . 1 . 2 . 3 ]" 1
669 1 48 LEU HB2 1 49 ILE H . . 5.200 3.174 2.991 3.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
670 1 48 LEU HB3 1 49 ILE H . . 5.200 3.346 3.126 3.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
671 1 49 ILE H 1 49 ILE HB . . 2.900 2.416 2.342 2.545 . 0 0 "[ . 1 . 2 . 3 ]" 1
672 1 49 ILE H 1 49 ILE MD . . 4.100 3.259 2.665 3.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
673 1 49 ILE H 1 49 ILE HG12 . . 3.400 2.066 1.987 2.124 . 0 0 "[ . 1 . 2 . 3 ]" 1
674 1 49 ILE H 1 49 ILE QG . . 3.080 2.050 1.976 2.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
675 1 49 ILE H 1 49 ILE HG13 . . 3.400 3.438 3.385 3.497 0.097 15 0 "[ . 1 . 2 . 3 ]" 1
676 1 49 ILE H 1 49 ILE MG . . 4.400 3.719 3.711 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
677 1 49 ILE H 1 50 THR H . . 3.600 2.807 2.721 2.940 . 0 0 "[ . 1 . 2 . 3 ]" 1
678 1 49 ILE H 1 51 ASN H . . 5.400 4.889 4.477 5.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
679 1 49 ILE HA 1 49 ILE MD . . 3.800 2.095 2.062 2.127 . 0 0 "[ . 1 . 2 . 3 ]" 1
680 1 49 ILE HA 1 49 ILE HG12 . . 3.700 3.061 2.923 3.309 . 0 0 "[ . 1 . 2 . 3 ]" 1
681 1 49 ILE HA 1 49 ILE QG . . 3.390 2.930 2.826 3.091 . 0 0 "[ . 1 . 2 . 3 ]" 1
682 1 49 ILE HA 1 49 ILE HG13 . . 3.700 3.754 3.709 3.772 0.072 9 0 "[ . 1 . 2 . 3 ]" 1
683 1 49 ILE HA 1 49 ILE MG . . 3.500 2.420 2.325 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
684 1 49 ILE HA 1 51 ASN H . . 6.000 5.750 5.611 6.002 0.002 15 0 "[ . 1 . 2 . 3 ]" 1
685 1 49 ILE HB 1 49 ILE MD . . 3.700 3.203 3.192 3.211 . 0 0 "[ . 1 . 2 . 3 ]" 1
686 1 49 ILE HB 1 49 ILE HG12 . . 2.700 2.453 2.333 2.496 . 0 0 "[ . 1 . 2 . 3 ]" 1
687 1 49 ILE HB 1 49 ILE HG13 . . 2.700 2.356 2.318 2.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
688 1 49 ILE HB 1 50 THR H . . 3.500 2.829 2.396 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
689 1 49 ILE MG 1 50 THR H . . 4.500 3.535 3.027 3.751 . 0 0 "[ . 1 . 2 . 3 ]" 1
690 1 50 THR H 1 50 THR HB . . 3.900 3.026 1.940 3.754 . 0 0 "[ . 1 . 2 . 3 ]" 1
691 1 50 THR H 1 50 THR MG . . 3.800 2.893 2.471 3.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
692 1 50 THR H 1 51 ASN H . . 3.000 2.668 2.121 3.028 0.028 24 0 "[ . 1 . 2 . 3 ]" 1
693 1 50 THR HA 1 50 THR MG . . 3.400 2.516 2.201 3.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
694 1 50 THR HB 1 51 ASN H . . 4.200 2.964 2.610 3.805 . 0 0 "[ . 1 . 2 . 3 ]" 1
695 1 50 THR MG 1 51 ASN H . . 4.700 3.153 1.915 3.928 . 0 0 "[ . 1 . 2 . 3 ]" 1
696 1 51 ASN H 1 51 ASN HB2 . . 3.500 2.466 2.188 3.494 . 0 0 "[ . 1 . 2 . 3 ]" 1
697 1 51 ASN H 1 51 ASN QB . . 3.290 2.220 2.067 2.376 . 0 0 "[ . 1 . 2 . 3 ]" 1
698 1 51 ASN H 1 51 ASN HB3 . . 3.500 3.131 2.087 3.567 0.067 22 0 "[ . 1 . 2 . 3 ]" 1
699 1 51 ASN H 1 52 LYS H . . 4.600 4.347 4.026 4.631 0.031 8 0 "[ . 1 . 2 . 3 ]" 1
700 1 51 ASN HA 1 52 LYS H . . 3.100 2.209 2.142 2.378 . 0 0 "[ . 1 . 2 . 3 ]" 1
701 1 51 ASN QB 1 53 LYS H . . 5.580 2.666 2.201 3.870 . 0 0 "[ . 1 . 2 . 3 ]" 1
702 1 51 ASN HB2 1 52 LYS H . . 4.600 4.323 2.669 4.621 0.021 20 0 "[ . 1 . 2 . 3 ]" 1
703 1 51 ASN HB3 1 52 LYS H . . 4.600 3.921 3.510 4.299 . 0 0 "[ . 1 . 2 . 3 ]" 1
704 1 52 LYS H 1 53 LYS H . . 3.700 2.966 1.982 3.422 . 0 0 "[ . 1 . 2 . 3 ]" 1
705 1 52 LYS HA 1 53 LYS H . . 3.500 3.057 2.872 3.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
706 1 52 LYS QB 1 61 ILE MD . . 6.880 4.210 3.693 4.650 . 0 0 "[ . 1 . 2 . 3 ]" 1
707 1 52 LYS HB2 1 53 LYS H . . 4.800 4.373 3.794 4.696 . 0 0 "[ . 1 . 2 . 3 ]" 1
708 1 52 LYS HB3 1 53 LYS H . . 4.800 4.421 3.934 4.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
709 1 52 LYS QD 1 53 LYS H . . 6.800 5.601 4.740 6.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
710 1 52 LYS QG 1 53 LYS H . . 6.900 4.459 3.562 5.053 . 0 0 "[ . 1 . 2 . 3 ]" 1
711 1 53 LYS H 1 53 LYS HB2 . . 3.800 2.830 2.604 2.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
712 1 53 LYS H 1 53 LYS QB . . 3.550 2.761 2.558 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
713 1 53 LYS H 1 53 LYS HB3 . . 3.800 3.842 3.738 3.885 0.085 4 0 "[ . 1 . 2 . 3 ]" 1
714 1 53 LYS H 1 53 LYS QD . . 5.500 4.255 2.666 4.989 . 0 0 "[ . 1 . 2 . 3 ]" 1
715 1 53 LYS H 1 53 LYS QE . . 7.000 4.548 2.400 5.640 . 0 0 "[ . 1 . 2 . 3 ]" 1
716 1 53 LYS H 1 54 CYS H . . 4.400 4.319 4.237 4.383 . 0 0 "[ . 1 . 2 . 3 ]" 1
717 1 53 LYS HA 1 54 CYS H . . 2.900 2.349 2.267 2.541 . 0 0 "[ . 1 . 2 . 3 ]" 1
718 1 53 LYS HA 1 60 ASP H . . 4.200 4.251 4.100 4.307 0.107 7 0 "[ . 1 . 2 . 3 ]" 1
719 1 53 LYS HA 1 60 ASP HA . . 2.400 1.980 1.930 2.000 . 0 0 "[ . 1 . 2 . 3 ]" 1
720 1 53 LYS HA 1 61 ILE H . . 2.700 2.769 2.718 2.832 0.132 21 0 "[ . 1 . 2 . 3 ]" 1
721 1 53 LYS QB 1 54 CYS H . . 3.850 2.380 2.129 2.758 . 0 0 "[ . 1 . 2 . 3 ]" 1
722 1 53 LYS QB 1 60 ASP H . . 5.640 3.896 3.665 4.185 . 0 0 "[ . 1 . 2 . 3 ]" 1
723 1 53 LYS HB2 1 54 CYS H . . 4.100 3.522 3.282 3.730 . 0 0 "[ . 1 . 2 . 3 ]" 1
724 1 53 LYS HB2 1 58 ARG HA . . 3.900 3.953 3.905 3.996 0.096 27 0 "[ . 1 . 2 . 3 ]" 1
725 1 53 LYS HB2 1 60 ASP H . . 6.000 5.472 5.155 5.753 . 0 0 "[ . 1 . 2 . 3 ]" 1
726 1 53 LYS HB3 1 54 CYS H . . 4.100 2.422 2.153 2.841 . 0 0 "[ . 1 . 2 . 3 ]" 1
727 1 53 LYS HB3 1 58 ARG HA . . 3.900 3.427 3.028 3.855 . 0 0 "[ . 1 . 2 . 3 ]" 1
728 1 53 LYS HB3 1 60 ASP H . . 6.000 3.989 3.735 4.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
729 1 53 LYS QD 1 54 CYS H . . 6.100 4.910 4.167 5.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
730 1 53 LYS QD 1 60 ASP H . . 7.000 4.258 2.765 4.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
731 1 53 LYS QE 1 54 CYS H . . 5.700 4.830 3.930 5.145 . 0 0 "[ . 1 . 2 . 3 ]" 1
732 1 53 LYS QE 1 60 ASP H . . 7.000 4.180 2.301 5.863 . 0 0 "[ . 1 . 2 . 3 ]" 1
733 1 53 LYS QG 1 54 CYS H . . 6.300 3.894 3.539 4.203 . 0 0 "[ . 1 . 2 . 3 ]" 1
734 1 53 LYS QG 1 60 ASP HA . . 5.300 2.322 2.020 2.756 . 0 0 "[ . 1 . 2 . 3 ]" 1
735 1 54 CYS H 1 54 CYS QB . . 3.300 2.207 2.072 2.802 . 0 0 "[ . 1 . 2 . 3 ]" 1
736 1 54 CYS H 1 55 PRO QD . . 6.680 4.485 4.399 4.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
737 1 54 CYS H 1 58 ARG H . . 5.300 3.919 3.614 4.049 . 0 0 "[ . 1 . 2 . 3 ]" 1
738 1 54 CYS H 1 59 VAL HB . . 5.200 5.323 5.289 5.370 0.170 27 0 "[ . 1 . 2 . 3 ]" 1
739 1 54 CYS H 1 59 VAL MG1 . . 5.500 4.685 4.659 4.716 . 0 0 "[ . 1 . 2 . 3 ]" 1
740 1 54 CYS H 1 59 VAL QG . . 4.970 3.511 3.409 3.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
741 1 54 CYS H 1 59 VAL MG2 . . 5.500 3.628 3.502 3.778 . 0 0 "[ . 1 . 2 . 3 ]" 1
742 1 54 CYS H 1 60 ASP HA . . 3.400 3.562 3.522 3.655 0.255 27 0 "[ . 1 . 2 . 3 ]" 1
743 1 54 CYS HA 1 55 PRO HD2 . . 3.100 2.462 2.213 2.852 . 0 0 "[ . 1 . 2 . 3 ]" 1
744 1 54 CYS HA 1 55 PRO HD3 . . 3.100 2.289 2.087 2.468 . 0 0 "[ . 1 . 2 . 3 ]" 1
745 1 54 CYS HA 1 58 ARG H . . 4.500 4.495 4.390 4.577 0.077 27 0 "[ . 1 . 2 . 3 ]" 1
746 1 54 CYS QB 1 56 ILE H . . 6.000 3.513 2.472 3.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
747 1 54 CYS QB 1 57 CYS H . . 6.000 2.866 2.235 3.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
748 1 54 CYS QB 1 58 ARG H . . 4.900 2.323 2.052 3.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
749 1 55 PRO HA 1 56 ILE QG . . 6.880 4.995 4.532 5.564 . 0 0 "[ . 1 . 2 . 3 ]" 1
750 1 55 PRO QB 1 56 ILE H . . 4.350 3.363 2.820 3.671 . 0 0 "[ . 1 . 2 . 3 ]" 1
751 1 55 PRO HD2 1 56 ILE H . . 4.900 2.402 2.208 2.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
752 1 55 PRO HD3 1 56 ILE H . . 4.900 3.746 3.617 3.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
753 1 56 ILE H 1 56 ILE HB . . 3.000 2.438 2.324 2.602 . 0 0 "[ . 1 . 2 . 3 ]" 1
754 1 56 ILE H 1 56 ILE MD . . 4.600 2.908 1.902 3.752 . 0 0 "[ . 1 . 2 . 3 ]" 1
755 1 56 ILE H 1 56 ILE HG12 . . 4.300 4.036 3.694 4.297 . 0 0 "[ . 1 . 2 . 3 ]" 1
756 1 56 ILE H 1 56 ILE QG . . 3.730 2.841 2.464 3.252 . 0 0 "[ . 1 . 2 . 3 ]" 1
757 1 56 ILE H 1 56 ILE HG13 . . 4.300 2.914 2.502 3.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
758 1 56 ILE H 1 56 ILE MG . . 4.500 3.773 3.749 3.804 . 0 0 "[ . 1 . 2 . 3 ]" 1
759 1 56 ILE H 1 57 CYS H . . 3.200 2.627 2.325 2.905 . 0 0 "[ . 1 . 2 . 3 ]" 1
760 1 56 ILE H 1 58 ARG H . . 4.400 3.390 3.110 3.678 . 0 0 "[ . 1 . 2 . 3 ]" 1
761 1 56 ILE H 1 59 VAL H . . 6.000 5.665 5.371 6.017 0.017 2 0 "[ . 1 . 2 . 3 ]" 1
762 1 56 ILE HA 1 56 ILE HB . . 3.000 3.024 2.985 3.048 0.048 23 0 "[ . 1 . 2 . 3 ]" 1
763 1 56 ILE HA 1 56 ILE MD . . 4.400 3.635 3.335 3.786 . 0 0 "[ . 1 . 2 . 3 ]" 1
764 1 56 ILE HA 1 56 ILE HG12 . . 3.600 2.937 2.339 3.645 0.045 2 0 "[ . 1 . 2 . 3 ]" 1
765 1 56 ILE HA 1 56 ILE HG13 . . 3.600 2.530 2.268 2.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
766 1 56 ILE HA 1 56 ILE MG . . 3.500 2.399 2.284 2.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
767 1 56 ILE HB 1 57 CYS H . . 3.000 2.224 1.998 2.649 . 0 0 "[ . 1 . 2 . 3 ]" 1
768 1 56 ILE MD 1 57 CYS H . . 5.700 3.897 3.307 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
769 1 56 ILE QG 1 57 CYS H . . 5.270 4.141 3.978 4.327 . 0 0 "[ . 1 . 2 . 3 ]" 1
770 1 56 ILE HG12 1 57 CYS H . . 6.000 4.850 4.548 5.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
771 1 56 ILE HG13 1 57 CYS H . . 6.000 4.508 4.253 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
772 1 56 ILE MG 1 57 CYS H . . 4.300 2.885 2.601 3.396 . 0 0 "[ . 1 . 2 . 3 ]" 1
773 1 56 ILE MG 1 57 CYS HA . . 6.600 3.230 3.083 3.529 . 0 0 "[ . 1 . 2 . 3 ]" 1
774 1 56 ILE MG 1 57 CYS HB2 . . 6.800 4.724 4.431 5.357 . 0 0 "[ . 1 . 2 . 3 ]" 1
775 1 56 ILE MG 1 57 CYS QB . . 6.400 3.454 2.997 4.731 . 0 0 "[ . 1 . 2 . 3 ]" 1
776 1 56 ILE MG 1 57 CYS HB3 . . 6.800 3.582 3.048 5.279 . 0 0 "[ . 1 . 2 . 3 ]" 1
777 1 56 ILE MG 1 58 ARG H . . 6.600 4.646 4.527 4.832 . 0 0 "[ . 1 . 2 . 3 ]" 1
778 1 57 CYS H 1 57 CYS HB2 . . 3.800 3.483 2.793 3.580 . 0 0 "[ . 1 . 2 . 3 ]" 1
779 1 57 CYS H 1 57 CYS HB3 . . 3.800 2.893 2.683 3.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
780 1 57 CYS H 1 58 ARG H . . 3.200 2.697 2.551 2.854 . 0 0 "[ . 1 . 2 . 3 ]" 1
781 1 57 CYS HA 1 57 CYS HB2 . . 3.000 2.523 2.429 2.988 . 0 0 "[ . 1 . 2 . 3 ]" 1
782 1 57 CYS HA 1 57 CYS HB3 . . 3.000 2.320 2.237 2.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
783 1 57 CYS HA 1 59 VAL H . . 5.400 4.729 4.405 5.096 . 0 0 "[ . 1 . 2 . 3 ]" 1
784 1 57 CYS QB 1 58 ARG H . . 4.440 3.735 2.920 3.897 . 0 0 "[ . 1 . 2 . 3 ]" 1
785 1 57 CYS HB2 1 58 ARG H . . 5.300 4.043 2.986 4.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
786 1 57 CYS HB2 1 59 VAL MG1 . . 7.000 2.938 2.515 3.354 . 0 0 "[ . 1 . 2 . 3 ]" 1
787 1 57 CYS HB2 1 59 VAL MG2 . . 7.000 3.270 2.276 3.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
788 1 57 CYS HB3 1 58 ARG H . . 5.300 4.441 4.123 4.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
789 1 57 CYS HB3 1 59 VAL MG1 . . 7.000 4.236 2.713 4.713 . 0 0 "[ . 1 . 2 . 3 ]" 1
790 1 57 CYS HB3 1 59 VAL MG2 . . 7.000 4.366 2.708 4.915 . 0 0 "[ . 1 . 2 . 3 ]" 1
791 1 58 ARG H 1 58 ARG HA . . 2.600 2.250 2.216 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
792 1 58 ARG H 1 58 ARG QD . . 5.000 4.084 2.356 4.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
793 1 58 ARG H 1 58 ARG QG . . 4.600 3.823 3.545 4.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
794 1 58 ARG H 1 59 VAL H . . 5.000 2.803 2.466 2.884 . 0 0 "[ . 1 . 2 . 3 ]" 1
795 1 58 ARG H 1 59 VAL MG1 . . 5.600 4.128 3.861 4.206 . 0 0 "[ . 1 . 2 . 3 ]" 1
796 1 58 ARG H 1 59 VAL QG . . 5.220 3.834 3.535 3.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
797 1 58 ARG H 1 59 VAL MG2 . . 5.600 4.552 4.098 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
798 1 58 ARG HA 1 58 ARG QD . . 5.100 2.374 2.017 2.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
799 1 58 ARG QD 1 59 VAL H . . 4.900 4.380 4.271 4.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
800 1 58 ARG QG 1 59 VAL H . . 7.000 4.997 4.883 5.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
801 1 59 VAL H 1 59 VAL HB . . 3.800 3.812 3.716 3.859 0.059 12 0 "[ . 1 . 2 . 3 ]" 1
802 1 59 VAL H 1 59 VAL MG1 . . 3.700 2.505 2.224 2.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
803 1 59 VAL H 1 59 VAL QG . . 3.190 2.198 2.031 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
804 1 59 VAL H 1 59 VAL MG2 . . 3.700 2.438 2.347 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
805 1 59 VAL H 1 60 ASP H . . 4.700 4.522 4.456 4.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
806 1 59 VAL HA 1 59 VAL HB . . 3.000 2.271 2.234 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
807 1 59 VAL HA 1 60 ASP H . . 2.400 2.366 2.284 2.428 0.028 18 0 "[ . 1 . 2 . 3 ]" 1
808 1 59 VAL HB 1 60 ASP H . . 3.700 2.658 2.584 2.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
809 1 59 VAL QG 1 60 ASP H . . 4.040 3.078 3.051 3.100 . 0 0 "[ . 1 . 2 . 3 ]" 1
810 1 59 VAL MG1 1 60 ASP H . . 4.800 4.022 3.999 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
811 1 59 VAL MG2 1 60 ASP H . . 4.800 3.195 3.160 3.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
812 1 60 ASP H 1 60 ASP HB2 . . 3.400 2.663 2.502 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
813 1 60 ASP H 1 60 ASP QB . . 3.130 2.588 2.455 2.677 . 0 0 "[ . 1 . 2 . 3 ]" 1
814 1 60 ASP H 1 60 ASP HB3 . . 3.400 3.531 3.500 3.556 0.156 21 0 "[ . 1 . 2 . 3 ]" 1
815 1 60 ASP HA 1 61 ILE H . . 3.000 2.171 2.135 2.225 . 0 0 "[ . 1 . 2 . 3 ]" 1
816 1 60 ASP QB 1 61 ILE H . . 4.060 3.322 3.149 3.402 . 0 0 "[ . 1 . 2 . 3 ]" 1
817 1 60 ASP QB 1 62 GLU H . . 3.290 2.943 2.717 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
818 1 60 ASP HB2 1 61 ILE H . . 4.400 4.157 4.082 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
819 1 60 ASP HB2 1 62 GLU H . . 3.500 3.502 3.299 3.606 0.106 18 0 "[ . 1 . 2 . 3 ]" 1
820 1 60 ASP HB2 1 63 ALA H . . 6.000 5.147 2.426 6.106 0.106 11 0 "[ . 1 . 2 . 3 ]" 1
821 1 60 ASP HB3 1 61 ILE H . . 4.400 3.496 3.276 3.615 . 0 0 "[ . 1 . 2 . 3 ]" 1
822 1 60 ASP HB3 1 62 GLU H . . 3.500 3.171 2.836 3.362 . 0 0 "[ . 1 . 2 . 3 ]" 1
823 1 60 ASP HB3 1 63 ALA H . . 6.000 5.140 2.254 6.044 0.044 10 0 "[ . 1 . 2 . 3 ]" 1
824 1 61 ILE H 1 61 ILE HA . . 2.800 2.658 2.599 2.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
825 1 61 ILE H 1 61 ILE HB . . 2.900 2.668 2.574 2.776 . 0 0 "[ . 1 . 2 . 3 ]" 1
826 1 61 ILE H 1 61 ILE MD . . 3.700 1.785 1.712 1.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
827 1 61 ILE H 1 61 ILE HG12 . . 3.400 3.470 3.447 3.510 0.110 19 0 "[ . 1 . 2 . 3 ]" 1
828 1 61 ILE H 1 61 ILE QG . . 3.130 2.212 2.129 2.479 . 0 0 "[ . 1 . 2 . 3 ]" 1
829 1 61 ILE H 1 61 ILE HG13 . . 3.400 2.238 2.150 2.534 . 0 0 "[ . 1 . 2 . 3 ]" 1
830 1 61 ILE H 1 61 ILE MG . . 4.300 3.659 3.644 3.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
831 1 61 ILE HA 1 61 ILE HB . . 3.000 3.025 3.021 3.032 0.032 19 0 "[ . 1 . 2 . 3 ]" 1
832 1 61 ILE HA 1 61 ILE MD . . 4.200 3.574 3.532 3.597 . 0 0 "[ . 1 . 2 . 3 ]" 1
833 1 61 ILE HA 1 61 ILE HG12 . . 4.000 3.382 3.302 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
834 1 61 ILE HA 1 61 ILE QG . . 3.610 2.349 2.290 2.426 . 0 0 "[ . 1 . 2 . 3 ]" 1
835 1 61 ILE HA 1 61 ILE HG13 . . 4.000 2.396 2.335 2.470 . 0 0 "[ . 1 . 2 . 3 ]" 1
836 1 61 ILE HA 1 61 ILE MG . . 3.400 2.249 2.183 2.336 . 0 0 "[ . 1 . 2 . 3 ]" 1
837 1 61 ILE HA 1 62 GLU H . . 3.500 3.486 3.412 3.541 0.041 2 0 "[ . 1 . 2 . 3 ]" 1
838 1 61 ILE HB 1 62 GLU H . . 3.500 2.887 2.705 3.001 . 0 0 "[ . 1 . 2 . 3 ]" 1
839 1 61 ILE MD 1 62 GLU H . . 4.400 3.665 3.535 3.712 . 0 0 "[ . 1 . 2 . 3 ]" 1
840 1 61 ILE HG12 1 62 GLU H . . 5.300 5.289 5.163 5.331 0.031 25 0 "[ . 1 . 2 . 3 ]" 1
841 1 61 ILE HG13 1 62 GLU H . . 5.300 4.611 4.558 4.757 . 0 0 "[ . 1 . 2 . 3 ]" 1
842 1 61 ILE MG 1 62 GLU H . . 4.500 3.737 3.574 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
843 1 62 GLU H 1 62 GLU HA . . 2.600 2.490 2.207 2.795 0.195 10 0 "[ . 1 . 2 . 3 ]" 1
844 1 62 GLU H 1 62 GLU QB . . 3.700 3.046 2.093 3.432 . 0 0 "[ . 1 . 2 . 3 ]" 1
845 1 62 GLU H 1 62 GLU QG . . 4.500 3.713 2.752 4.136 . 0 0 "[ . 1 . 2 . 3 ]" 1
846 1 62 GLU HA 1 63 ALA H . . 3.300 2.463 2.119 2.884 . 0 0 "[ . 1 . 2 . 3 ]" 1
847 1 62 GLU QG 1 63 ALA H . . 6.100 3.638 2.082 4.691 . 0 0 "[ . 1 . 2 . 3 ]" 1
848 1 63 ALA H 1 63 ALA MB . . 3.400 2.596 2.222 2.847 . 0 0 "[ . 1 . 2 . 3 ]" 1
849 1 63 ALA HA 1 64 GLN H . . 3.300 2.680 2.137 3.437 0.137 1 0 "[ . 1 . 2 . 3 ]" 1
850 1 63 ALA MB 1 64 GLN H . . 3.400 2.305 1.868 2.872 . 0 0 "[ . 1 . 2 . 3 ]" 1
851 1 64 GLN HA 1 65 LEU H . . 2.600 2.395 2.137 2.940 0.340 1 0 "[ . 1 . 2 . 3 ]" 1
852 1 65 LEU H 1 65 LEU HG . . 3.600 2.915 2.127 3.647 0.047 15 0 "[ . 1 . 2 . 3 ]" 1
853 1 65 LEU HA 1 66 PRO HD2 . . 4.000 2.446 2.084 4.026 0.026 1 0 "[ . 1 . 2 . 3 ]" 1
854 1 65 LEU HA 1 66 PRO HD3 . . 4.000 2.557 2.249 4.053 0.053 19 0 "[ . 1 . 2 . 3 ]" 1
855 1 65 LEU QB 1 66 PRO HD2 . . 7.000 2.877 2.051 4.164 . 0 0 "[ . 1 . 2 . 3 ]" 1
856 1 65 LEU QB 1 66 PRO HD3 . . 7.000 3.801 2.068 4.540 . 0 0 "[ . 1 . 2 . 3 ]" 1
857 1 65 LEU QD 1 66 PRO QD . . 9.450 3.424 2.279 4.366 . 0 0 "[ . 1 . 2 . 3 ]" 1
858 1 66 PRO HA 1 67 SER QB . . 4.200 3.793 3.749 3.884 . 0 0 "[ . 1 . 2 . 3 ]" 1
859 1 66 PRO HB2 1 67 SER QB . . 7.000 4.449 3.539 4.939 . 0 0 "[ . 1 . 2 . 3 ]" 1
860 1 66 PRO HB3 1 67 SER QB . . 7.000 5.355 4.843 5.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
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