NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
399575 |
1u85   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1u85
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 799
_Distance_constraint_stats_list.Viol_count 1431
_Distance_constraint_stats_list.Viol_total 1930.083
_Distance_constraint_stats_list.Viol_max 0.894
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0674
_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 SER 0.302 0.168 13 0 "[ . 1 . 2]"
1 3 THR 0.976 0.216 9 0 "[ . 1 . 2]"
1 4 GLY 1.515 0.216 9 0 "[ . 1 . 2]"
1 5 ILE 1.409 0.136 1 0 "[ . 1 . 2]"
1 6 LYS 9.607 0.435 6 0 "[ . 1 . 2]"
1 7 PRO 5.104 0.149 8 0 "[ . 1 . 2]"
1 8 PHE 6.522 0.149 8 0 "[ . 1 . 2]"
1 9 GLN 7.069 0.516 6 1 "[ .+ 1 . 2]"
1 10 CYS 7.422 0.530 6 1 "[ .+ 1 . 2]"
1 11 PRO 1.563 0.073 14 0 "[ . 1 . 2]"
1 12 ASP 6.233 0.654 7 2 "[ -. + 1 . 2]"
1 13 CYS 1.409 0.160 6 0 "[ . 1 . 2]"
1 14 ASP 1.336 0.102 13 0 "[ . 1 . 2]"
1 15 TRP 4.122 0.160 6 0 "[ . 1 . 2]"
1 16 SER 1.967 0.160 6 0 "[ . 1 . 2]"
1 17 PHE 5.090 0.530 6 1 "[ .+ 1 . 2]"
1 18 SER 2.438 0.435 6 0 "[ . 1 . 2]"
1 19 ARG 15.729 0.755 12 5 "[ -.* 1*+ .* 2]"
1 20 SER 14.001 0.376 16 0 "[ . 1 . 2]"
1 21 ASP 4.013 0.894 1 1 "[+ . 1 . 2]"
1 22 HIS 9.763 0.894 1 6 "[+ -.* 1** .* 2]"
1 23 LEU 6.310 0.263 4 0 "[ . 1 . 2]"
1 24 ALA 2.974 0.096 1 0 "[ . 1 . 2]"
1 25 LEU 1.554 0.103 1 0 "[ . 1 . 2]"
1 26 HIS 3.506 0.093 11 0 "[ . 1 . 2]"
1 27 ARG 7.943 0.482 5 0 "[ . 1 . 2]"
1 28 LYS 4.607 0.607 17 1 "[ . 1 . + 2]"
1 29 ARG 7.956 0.607 17 1 "[ . 1 . + 2]"
1 30 HIS 6.046 0.654 7 2 "[ -. + 1 . 2]"
1 31 MET 8.569 0.553 4 1 "[ +. 1 . 2]"
1 32 LEU 4.591 0.553 4 1 "[ +. 1 . 2]"
1 33 VAL 0.131 0.090 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 2 SER QB 4.100 . 6.200 2.901 2.588 3.425 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 THR H 2.500 . 3.300 2.462 2.141 3.468 0.168 13 0 "[ . 1 . 2]" 1
3 1 2 SER QB 1 3 THR H 3.400 . 4.900 3.333 2.499 3.919 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR H 1 3 THR HB 3.200 . 4.500 3.054 2.455 3.451 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 3 THR MG 3.100 . 4.300 3.549 2.493 3.807 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 3 THR HB 3.000 . 4.100 2.892 2.596 3.003 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 3 THR MG 2.700 . 3.600 2.092 1.913 3.183 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 4 GLY H 2.400 . 3.100 2.535 2.115 3.316 0.216 9 0 "[ . 1 . 2]" 1
9 1 3 THR HB 1 3 THR MG 2.400 . 3.100 2.104 2.092 2.126 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR HB 1 4 GLY H 2.800 . 3.800 3.616 2.854 3.824 0.024 4 0 "[ . 1 . 2]" 1
11 1 3 THR MG 1 5 ILE H 4.500 . 6.300 3.708 2.482 4.623 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLY H 1 4 GLY QA 2.200 . 2.800 2.291 2.227 2.475 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLY H 1 5 ILE H 2.500 . 3.300 2.758 1.923 3.436 0.136 1 0 "[ . 1 . 2]" 1
14 1 4 GLY H 1 5 ILE MD 3.600 . 5.200 4.444 3.260 5.239 0.039 9 0 "[ . 1 . 2]" 1
15 1 4 GLY QA 1 5 ILE H 2.100 . 2.600 2.542 2.302 2.705 0.105 19 0 "[ . 1 . 2]" 1
16 1 4 GLY QA 1 5 ILE HB 3.600 . 5.200 4.778 4.217 5.023 . 0 0 "[ . 1 . 2]" 1
17 1 5 ILE H 1 5 ILE HA 2.600 . 3.400 2.877 2.769 2.944 . 0 0 "[ . 1 . 2]" 1
18 1 5 ILE H 1 5 ILE HB 2.300 . 3.000 2.555 2.098 2.678 . 0 0 "[ . 1 . 2]" 1
19 1 5 ILE H 1 5 ILE MD 2.600 . 3.400 3.159 2.439 3.434 0.034 8 0 "[ . 1 . 2]" 1
20 1 5 ILE H 1 5 ILE HG12 3.600 . 5.200 2.358 1.961 4.289 0.039 15 0 "[ . 1 . 2]" 1
21 1 5 ILE H 1 5 ILE HG13 3.100 . 4.300 3.752 3.530 4.083 . 0 0 "[ . 1 . 2]" 1
22 1 5 ILE H 1 5 ILE MG 3.000 . 4.100 3.775 3.434 3.840 . 0 0 "[ . 1 . 2]" 1
23 1 5 ILE HA 1 5 ILE HB 2.400 . 3.100 3.015 2.894 3.027 . 0 0 "[ . 1 . 2]" 1
24 1 5 ILE HA 1 5 ILE MD 2.600 . 3.400 2.083 1.863 2.555 . 0 0 "[ . 1 . 2]" 1
25 1 5 ILE HA 1 5 ILE HG13 3.100 . 4.300 3.666 2.202 3.813 . 0 0 "[ . 1 . 2]" 1
26 1 5 ILE HA 1 5 ILE MG 2.200 . 2.800 2.385 2.206 2.871 0.071 7 0 "[ . 1 . 2]" 1
27 1 5 ILE HA 1 6 LYS H 2.000 . 2.500 2.156 2.103 2.230 . 0 0 "[ . 1 . 2]" 1
28 1 5 ILE HA 1 6 LYS HA 3.400 . 4.800 4.403 4.373 4.437 . 0 0 "[ . 1 . 2]" 1
29 1 5 ILE HA 1 17 PHE QD 3.600 . 6.000 5.878 5.769 5.993 . 0 0 "[ . 1 . 2]" 1
30 1 5 ILE HB 1 5 ILE MD 2.500 . 3.300 3.179 2.266 3.237 . 0 0 "[ . 1 . 2]" 1
31 1 5 ILE HB 1 5 ILE HG12 2.900 . 4.000 2.437 2.335 2.556 . 0 0 "[ . 1 . 2]" 1
32 1 5 ILE HB 1 5 ILE MG 2.400 . 3.100 2.104 2.079 2.128 . 0 0 "[ . 1 . 2]" 1
33 1 5 ILE HB 1 6 LYS H 2.700 . 6.000 4.109 3.815 4.326 . 0 0 "[ . 1 . 2]" 1
34 1 5 ILE MD 1 5 ILE HG13 2.100 . 2.600 2.100 2.074 2.120 . 0 0 "[ . 1 . 2]" 1
35 1 5 ILE MD 1 5 ILE MG 2.500 . 3.300 2.098 1.778 3.220 . 0 0 "[ . 1 . 2]" 1
36 1 5 ILE MD 1 14 ASP HA 3.800 . 5.600 5.389 4.695 5.702 0.102 13 0 "[ . 1 . 2]" 1
37 1 5 ILE HG12 1 6 LYS H 3.600 . 5.200 5.104 4.488 5.252 0.052 9 0 "[ . 1 . 2]" 1
38 1 5 ILE HG13 1 5 ILE MG 2.300 . 2.900 2.332 2.173 2.568 . 0 0 "[ . 1 . 2]" 1
39 1 5 ILE HG13 1 6 LYS H 4.000 . 6.000 5.252 3.088 5.677 . 0 0 "[ . 1 . 2]" 1
40 1 5 ILE MG 1 6 LYS H 3.100 . 4.300 2.475 1.999 2.918 . 0 0 "[ . 1 . 2]" 1
41 1 5 ILE MG 1 9 GLN HE21 4.400 . 6.300 4.886 3.621 6.155 . 0 0 "[ . 1 . 2]" 1
42 1 5 ILE MG 1 17 PHE QD 4.600 . 6.300 5.465 4.155 5.793 . 0 0 "[ . 1 . 2]" 1
43 1 6 LYS H 1 6 LYS HA 2.600 . 3.500 2.945 2.893 2.958 . 0 0 "[ . 1 . 2]" 1
44 1 6 LYS H 1 6 LYS HB2 2.200 . 2.800 2.367 2.185 2.546 . 0 0 "[ . 1 . 2]" 1
45 1 6 LYS H 1 6 LYS HD2 3.800 . 5.600 3.787 3.049 5.606 0.006 1 0 "[ . 1 . 2]" 1
46 1 6 LYS H 1 6 LYS HD3 3.800 . 5.600 4.429 2.611 5.459 . 0 0 "[ . 1 . 2]" 1
47 1 6 LYS H 1 6 LYS QE 4.300 . 6.300 4.457 3.348 5.153 . 0 0 "[ . 1 . 2]" 1
48 1 6 LYS H 1 6 LYS HG2 2.700 . 6.000 4.465 3.410 4.871 . 0 0 "[ . 1 . 2]" 1
49 1 6 LYS H 1 6 LYS HG3 3.300 . 4.600 3.813 3.299 4.504 . 0 0 "[ . 1 . 2]" 1
50 1 6 LYS H 1 7 PRO HD2 3.600 . 5.200 4.695 4.626 4.737 . 0 0 "[ . 1 . 2]" 1
51 1 6 LYS H 1 10 CYS H 4.300 . 6.300 6.353 6.104 6.433 0.133 9 0 "[ . 1 . 2]" 1
52 1 6 LYS H 1 16 SER HB2 3.700 . 5.400 3.212 2.744 3.862 . 0 0 "[ . 1 . 2]" 1
53 1 6 LYS HA 1 6 LYS QB 2.200 . 2.800 2.472 2.445 2.496 . 0 0 "[ . 1 . 2]" 1
54 1 6 LYS HA 1 6 LYS HD2 5.200 . 6.300 3.843 2.785 4.391 . 0 0 "[ . 1 . 2]" 1
55 1 6 LYS HA 1 6 LYS HD3 4.200 . 6.300 4.158 1.788 4.706 0.212 7 0 "[ . 1 . 2]" 1
56 1 6 LYS HA 1 6 LYS QE 4.000 . 6.000 4.018 2.847 4.677 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS HA 1 6 LYS HG2 2.800 . 3.800 3.129 2.771 3.563 . 0 0 "[ . 1 . 2]" 1
58 1 6 LYS HA 1 6 LYS HG3 2.500 . 3.300 2.362 2.071 3.656 0.356 7 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 7 PRO HD2 2.200 . 2.800 2.389 2.361 2.425 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS HA 1 7 PRO HD3 2.200 . 2.800 2.492 2.431 2.602 . 0 0 "[ . 1 . 2]" 1
61 1 6 LYS HA 1 7 PRO HG2 3.200 . 4.500 4.521 4.497 4.543 0.043 14 0 "[ . 1 . 2]" 1
62 1 6 LYS HA 1 7 PRO HG3 3.200 . 4.500 4.589 4.559 4.641 0.141 15 0 "[ . 1 . 2]" 1
63 1 6 LYS HA 1 8 PHE H 3.400 . 4.800 4.120 4.014 4.204 . 0 0 "[ . 1 . 2]" 1
64 1 6 LYS HA 1 8 PHE QD 3.800 . 5.600 5.714 5.677 5.746 0.146 6 0 "[ . 1 . 2]" 1
65 1 6 LYS HA 1 18 SER HA 3.200 . 4.500 4.520 4.381 4.628 0.128 3 0 "[ . 1 . 2]" 1
66 1 6 LYS HB2 1 6 LYS HE2 3.200 . 4.500 3.487 2.867 3.870 . 0 0 "[ . 1 . 2]" 1
67 1 6 LYS QB 1 6 LYS HD2 2.400 . 3.100 2.422 1.942 3.164 0.064 20 0 "[ . 1 . 2]" 1
68 1 6 LYS QB 1 6 LYS HG2 2.400 . 3.100 2.172 2.126 2.351 . 0 0 "[ . 1 . 2]" 1
69 1 6 LYS QB 1 6 LYS HG3 2.500 . 3.300 2.467 2.163 2.529 . 0 0 "[ . 1 . 2]" 1
70 1 6 LYS QB 1 17 PHE H 2.800 . 3.800 2.522 2.335 2.689 . 0 0 "[ . 1 . 2]" 1
71 1 6 LYS QB 1 18 SER H 3.800 . 5.600 3.786 3.670 3.998 . 0 0 "[ . 1 . 2]" 1
72 1 6 LYS HB2 1 16 SER HA 3.600 . 5.300 3.193 2.813 3.378 . 0 0 "[ . 1 . 2]" 1
73 1 6 LYS HB2 1 16 SER HB2 2.700 . 3.600 2.698 2.141 3.090 . 0 0 "[ . 1 . 2]" 1
74 1 6 LYS HB2 1 16 SER HB3 3.300 . 4.700 2.341 1.960 2.822 . 0 0 "[ . 1 . 2]" 1
75 1 6 LYS HB3 1 7 PRO HD2 2.700 . 3.600 2.019 1.926 2.092 . 0 0 "[ . 1 . 2]" 1
76 1 6 LYS HB3 1 7 PRO HD3 2.600 . 3.500 3.552 3.513 3.589 0.089 3 0 "[ . 1 . 2]" 1
77 1 6 LYS HB3 1 8 PHE H 3.000 . 4.100 2.522 2.411 2.664 . 0 0 "[ . 1 . 2]" 1
78 1 6 LYS HB3 1 8 PHE QD 3.900 . 5.800 3.656 3.516 3.803 . 0 0 "[ . 1 . 2]" 1
79 1 6 LYS HD2 1 6 LYS QE 2.900 . 3.900 2.328 2.141 2.528 . 0 0 "[ . 1 . 2]" 1
80 1 6 LYS HD2 1 6 LYS HG2 2.500 . 3.300 2.925 2.744 3.015 . 0 0 "[ . 1 . 2]" 1
81 1 6 LYS HD2 1 6 LYS HG3 2.900 . 4.000 2.542 2.225 2.920 . 0 0 "[ . 1 . 2]" 1
82 1 6 LYS HD2 1 8 PHE QD 3.800 . 5.600 5.121 4.847 5.341 . 0 0 "[ . 1 . 2]" 1
83 1 6 LYS HD2 1 17 PHE H 4.600 . 6.300 4.358 3.197 5.565 . 0 0 "[ . 1 . 2]" 1
84 1 6 LYS HD2 1 18 SER H 3.700 . 5.400 4.593 3.486 5.835 0.435 6 0 "[ . 1 . 2]" 1
85 1 6 LYS HD3 1 6 LYS QE 3.300 . 4.600 2.342 2.151 2.530 . 0 0 "[ . 1 . 2]" 1
86 1 6 LYS HD3 1 6 LYS HG2 2.800 . 3.800 2.438 2.220 2.818 . 0 0 "[ . 1 . 2]" 1
87 1 6 LYS HD3 1 6 LYS HG3 2.400 . 3.100 2.927 2.745 3.019 . 0 0 "[ . 1 . 2]" 1
88 1 6 LYS QE 1 6 LYS HG2 3.200 . 4.500 2.591 1.982 3.362 . 0 0 "[ . 1 . 2]" 1
89 1 6 LYS QE 1 6 LYS HG3 2.900 . 3.900 2.429 2.081 3.252 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS HG2 1 7 PRO HD2 3.700 . 5.500 2.892 2.447 4.111 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS HG2 1 7 PRO HD3 3.500 . 5.100 4.261 3.863 5.098 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS HG3 1 7 PRO HD3 3.500 . 5.100 4.044 3.362 5.146 0.046 1 0 "[ . 1 . 2]" 1
93 1 6 LYS HG3 1 18 SER H 4.100 . 6.200 4.856 3.472 5.332 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS HG3 1 18 SER HA 3.500 . 5.100 4.034 3.253 4.661 . 0 0 "[ . 1 . 2]" 1
95 1 7 PRO HA 1 7 PRO HB3 2.400 . 3.100 2.265 2.258 2.277 . 0 0 "[ . 1 . 2]" 1
96 1 7 PRO HA 1 7 PRO HD2 3.300 . 4.600 4.050 4.024 4.066 . 0 0 "[ . 1 . 2]" 1
97 1 7 PRO HA 1 7 PRO HD3 3.200 . 4.500 3.345 3.248 3.407 . 0 0 "[ . 1 . 2]" 1
98 1 7 PRO HA 1 7 PRO HG2 2.700 . 6.000 3.888 3.870 3.906 . 0 0 "[ . 1 . 2]" 1
99 1 7 PRO HA 1 7 PRO HG3 3.000 . 4.100 3.918 3.885 3.958 . 0 0 "[ . 1 . 2]" 1
100 1 7 PRO HA 1 8 PHE H 2.300 . 6.000 3.450 3.394 3.479 . 0 0 "[ . 1 . 2]" 1
101 1 7 PRO HA 1 8 PHE QB 3.500 . 6.000 5.490 5.446 5.537 . 0 0 "[ . 1 . 2]" 1
102 1 7 PRO HA 1 8 PHE QD 3.200 . 6.000 5.037 4.853 5.179 . 0 0 "[ . 1 . 2]" 1
103 1 7 PRO HA 1 8 PHE QE 4.200 . 6.300 5.688 5.467 5.844 . 0 0 "[ . 1 . 2]" 1
104 1 7 PRO HA 1 18 SER HA 3.500 . 6.000 6.030 5.801 6.132 0.132 9 0 "[ . 1 . 2]" 1
105 1 7 PRO HB2 1 7 PRO HD2 3.100 . 4.300 4.024 4.004 4.042 . 0 0 "[ . 1 . 2]" 1
106 1 7 PRO HB2 1 7 PRO HD3 2.900 . 4.000 3.894 3.877 3.912 . 0 0 "[ . 1 . 2]" 1
107 1 7 PRO HB2 1 7 PRO HG2 2.200 . 2.800 2.300 2.290 2.309 . 0 0 "[ . 1 . 2]" 1
108 1 7 PRO HB2 1 7 PRO HG3 2.700 . 3.600 2.701 2.684 2.714 . 0 0 "[ . 1 . 2]" 1
109 1 7 PRO HB2 1 8 PHE H 2.900 . 3.900 3.388 3.210 3.600 . 0 0 "[ . 1 . 2]" 1
110 1 7 PRO HB2 1 8 PHE QE 2.800 . 3.800 3.392 3.008 3.684 . 0 0 "[ . 1 . 2]" 1
111 1 7 PRO HB3 1 7 PRO HD2 3.300 . 4.600 3.920 3.897 3.941 . 0 0 "[ . 1 . 2]" 1
112 1 7 PRO HB3 1 7 PRO HG2 2.900 . 3.900 2.977 2.969 2.984 . 0 0 "[ . 1 . 2]" 1
113 1 7 PRO HB3 1 8 PHE H 2.900 . 6.000 4.278 4.180 4.379 . 0 0 "[ . 1 . 2]" 1
114 1 7 PRO HB3 1 8 PHE QD 3.000 . 6.000 4.818 4.594 5.024 . 0 0 "[ . 1 . 2]" 1
115 1 7 PRO HD2 1 7 PRO HG2 2.500 . 3.300 2.303 2.294 2.311 . 0 0 "[ . 1 . 2]" 1
116 1 7 PRO HD2 1 7 PRO HG3 2.700 . 3.600 2.676 2.661 2.689 . 0 0 "[ . 1 . 2]" 1
117 1 7 PRO HD2 1 8 PHE H 3.100 . 4.300 3.106 2.974 3.208 . 0 0 "[ . 1 . 2]" 1
118 1 7 PRO HD2 1 8 PHE QD 3.000 . 4.100 3.780 3.679 3.888 . 0 0 "[ . 1 . 2]" 1
119 1 7 PRO HD2 1 18 SER HA 2.600 . 3.400 2.513 2.421 2.699 . 0 0 "[ . 1 . 2]" 1
120 1 7 PRO HD3 1 7 PRO HG2 2.600 . 3.400 2.984 2.976 2.988 . 0 0 "[ . 1 . 2]" 1
121 1 7 PRO HD3 1 7 PRO HG3 2.600 . 3.400 2.307 2.298 2.312 . 0 0 "[ . 1 . 2]" 1
122 1 7 PRO HD3 1 8 PHE H 3.000 . 4.100 4.072 3.999 4.117 0.017 15 0 "[ . 1 . 2]" 1
123 1 7 PRO HD3 1 8 PHE QD 2.800 . 6.000 5.019 4.960 5.092 . 0 0 "[ . 1 . 2]" 1
124 1 7 PRO HD3 1 8 PHE QE 3.300 . 6.000 5.515 5.424 5.615 . 0 0 "[ . 1 . 2]" 1
125 1 7 PRO HD3 1 18 SER HA 2.400 . 6.000 4.136 3.986 4.367 . 0 0 "[ . 1 . 2]" 1
126 1 7 PRO HG2 1 8 PHE H 3.700 . 5.400 2.901 2.736 3.095 . 0 0 "[ . 1 . 2]" 1
127 1 7 PRO HG2 1 8 PHE QD 3.300 . 4.600 2.400 2.301 2.517 . 0 0 "[ . 1 . 2]" 1
128 1 7 PRO HG2 1 8 PHE QE 2.900 . 4.000 2.694 2.601 2.765 . 0 0 "[ . 1 . 2]" 1
129 1 7 PRO HG2 1 18 SER HA 3.500 . 5.000 2.744 2.356 2.979 . 0 0 "[ . 1 . 2]" 1
130 1 7 PRO HG3 1 8 PHE H 3.100 . 4.300 4.305 4.176 4.449 0.149 8 0 "[ . 1 . 2]" 1
131 1 7 PRO HG3 1 8 PHE QD 2.700 . 6.000 4.118 4.019 4.226 . 0 0 "[ . 1 . 2]" 1
132 1 7 PRO HG3 1 8 PHE QE 2.800 . 3.800 3.696 3.602 3.811 0.011 15 0 "[ . 1 . 2]" 1
133 1 7 PRO HG3 1 18 SER HA 3.300 . 4.700 3.816 3.504 4.001 . 0 0 "[ . 1 . 2]" 1
134 1 8 PHE H 1 8 PHE HA 2.500 . 3.300 2.939 2.928 2.943 . 0 0 "[ . 1 . 2]" 1
135 1 8 PHE H 1 8 PHE HB2 2.200 . 2.800 2.741 2.654 2.815 0.015 7 0 "[ . 1 . 2]" 1
136 1 8 PHE H 1 8 PHE QD 2.400 . 3.100 2.649 2.470 2.840 . 0 0 "[ . 1 . 2]" 1
137 1 8 PHE H 1 8 PHE QE 3.100 . 6.000 4.506 4.362 4.676 . 0 0 "[ . 1 . 2]" 1
138 1 8 PHE H 1 9 GLN H 3.100 . 4.300 4.102 3.951 4.342 0.042 15 0 "[ . 1 . 2]" 1
139 1 8 PHE H 1 16 SER HB2 4.600 . 6.300 6.059 5.472 6.326 0.026 11 0 "[ . 1 . 2]" 1
140 1 8 PHE H 1 17 PHE H 2.800 . 3.800 3.574 3.497 3.802 0.002 19 0 "[ . 1 . 2]" 1
141 1 8 PHE H 1 17 PHE HB2 4.000 . 6.000 4.571 4.429 4.686 . 0 0 "[ . 1 . 2]" 1
142 1 8 PHE H 1 23 LEU HB2 3.900 . 5.800 5.252 5.111 5.417 . 0 0 "[ . 1 . 2]" 1
143 1 8 PHE H 1 23 LEU MD2 3.300 . 4.700 4.643 4.476 4.733 0.033 12 0 "[ . 1 . 2]" 1
144 1 8 PHE HA 1 8 PHE HB3 2.200 . 2.800 2.392 2.364 2.417 . 0 0 "[ . 1 . 2]" 1
145 1 8 PHE HA 1 8 PHE QD 2.100 . 6.000 2.937 2.838 3.035 . 0 0 "[ . 1 . 2]" 1
146 1 8 PHE HA 1 9 GLN H 2.000 . 2.500 2.154 2.118 2.192 . 0 0 "[ . 1 . 2]" 1
147 1 8 PHE HA 1 17 PHE H 3.500 . 5.000 4.845 4.744 4.949 . 0 0 "[ . 1 . 2]" 1
148 1 8 PHE HA 1 23 LEU MD2 2.800 . 3.800 2.728 2.494 3.016 . 0 0 "[ . 1 . 2]" 1
149 1 8 PHE QB 1 8 PHE QD 2.000 . 2.500 2.123 2.118 2.127 . 0 0 "[ . 1 . 2]" 1
150 1 8 PHE QB 1 9 GLN H 2.800 . 3.800 3.473 3.170 3.674 . 0 0 "[ . 1 . 2]" 1
151 1 8 PHE QB 1 17 PHE QD 2.800 . 3.800 3.613 3.457 3.802 0.002 6 0 "[ . 1 . 2]" 1
152 1 8 PHE QB 1 23 LEU H 3.600 . 5.200 3.882 3.695 4.146 . 0 0 "[ . 1 . 2]" 1
153 1 8 PHE QB 1 23 LEU HA 3.400 . 4.900 4.358 4.186 4.565 . 0 0 "[ . 1 . 2]" 1
154 1 8 PHE QB 1 23 LEU HB3 2.900 . 4.000 2.673 2.339 2.878 . 0 0 "[ . 1 . 2]" 1
155 1 8 PHE QB 1 23 LEU MD1 3.100 . 4.300 3.039 2.864 3.217 . 0 0 "[ . 1 . 2]" 1
156 1 8 PHE QB 1 24 ALA H 4.700 . 6.300 4.944 4.681 5.161 . 0 0 "[ . 1 . 2]" 1
157 1 8 PHE HB2 1 17 PHE H 2.700 . 3.600 3.227 3.063 3.393 . 0 0 "[ . 1 . 2]" 1
158 1 8 PHE HB2 1 17 PHE HB2 2.300 . 6.000 2.430 2.338 2.571 . 0 0 "[ . 1 . 2]" 1
159 1 8 PHE HB2 1 17 PHE HB3 2.900 . 3.900 3.831 3.703 3.915 0.015 12 0 "[ . 1 . 2]" 1
160 1 8 PHE HB3 1 23 LEU MD2 2.100 . 2.700 1.679 1.488 1.874 0.012 6 0 "[ . 1 . 2]" 1
161 1 8 PHE QD 1 9 GLN HA 4.400 . 6.300 5.559 5.512 5.609 . 0 0 "[ . 1 . 2]" 1
162 1 8 PHE QD 1 9 GLN QB 4.100 . 6.200 5.972 5.765 6.210 0.010 3 0 "[ . 1 . 2]" 1
163 1 8 PHE QD 1 17 PHE H 3.400 . 4.800 4.514 4.414 4.674 . 0 0 "[ . 1 . 2]" 1
164 1 8 PHE QD 1 17 PHE HB2 3.300 . 4.600 3.952 3.780 4.078 . 0 0 "[ . 1 . 2]" 1
165 1 8 PHE QD 1 18 SER HB3 4.000 . 6.000 4.907 4.707 5.079 . 0 0 "[ . 1 . 2]" 1
166 1 8 PHE QD 1 19 ARG HA 2.900 . 3.900 3.703 3.628 3.833 . 0 0 "[ . 1 . 2]" 1
167 1 8 PHE QD 1 20 SER H 2.700 . 6.000 3.951 3.849 4.064 . 0 0 "[ . 1 . 2]" 1
168 1 8 PHE QD 1 20 SER HA 2.700 . 3.600 2.940 2.771 3.101 . 0 0 "[ . 1 . 2]" 1
169 1 8 PHE QD 1 20 SER HB2 3.000 . 4.100 4.003 3.844 4.135 0.035 18 0 "[ . 1 . 2]" 1
170 1 8 PHE QD 1 20 SER HB3 3.200 . 4.500 3.227 2.939 3.428 . 0 0 "[ . 1 . 2]" 1
171 1 8 PHE QD 1 23 LEU HB2 3.200 . 4.400 4.195 4.049 4.356 . 0 0 "[ . 1 . 2]" 1
172 1 8 PHE QD 1 23 LEU HB3 2.900 . 6.000 3.974 3.763 4.189 . 0 0 "[ . 1 . 2]" 1
173 1 8 PHE QD 1 23 LEU MD1 3.800 . 5.600 4.745 4.564 4.904 . 0 0 "[ . 1 . 2]" 1
174 1 8 PHE QD 1 23 LEU MD2 2.300 . 3.000 2.752 2.573 2.941 . 0 0 "[ . 1 . 2]" 1
175 1 8 PHE QE 1 21 ASP H 4.200 . 6.300 4.861 4.762 4.955 . 0 0 "[ . 1 . 2]" 1
176 1 8 PHE QE 1 19 ARG HA 2.400 . 3.100 3.117 3.006 3.166 0.066 17 0 "[ . 1 . 2]" 1
177 1 8 PHE QE 1 20 SER H 2.500 . 3.300 3.353 3.298 3.405 0.105 1 0 "[ . 1 . 2]" 1
178 1 8 PHE QE 1 20 SER HB2 2.600 . 3.400 3.473 3.405 3.507 0.107 3 0 "[ . 1 . 2]" 1
179 1 9 GLN H 1 9 GLN HA 2.600 . 3.500 2.938 2.920 2.947 . 0 0 "[ . 1 . 2]" 1
180 1 9 GLN H 1 9 GLN QB 2.100 . 2.700 2.353 2.213 2.540 . 0 0 "[ . 1 . 2]" 1
181 1 9 GLN H 1 9 GLN HG2 2.900 . 4.000 4.100 3.737 4.516 0.516 6 1 "[ .+ 1 . 2]" 1
182 1 9 GLN H 1 10 CYS H 3.200 . 4.500 4.418 4.319 4.504 0.004 10 0 "[ . 1 . 2]" 1
183 1 9 GLN H 1 16 SER HA 4.100 . 6.200 4.918 4.756 5.082 . 0 0 "[ . 1 . 2]" 1
184 1 9 GLN H 1 23 LEU MD1 4.100 . 6.200 3.398 3.008 3.822 . 0 0 "[ . 1 . 2]" 1
185 1 9 GLN H 1 23 LEU MD2 2.600 . 3.500 2.802 2.364 3.218 . 0 0 "[ . 1 . 2]" 1
186 1 9 GLN HA 1 9 GLN QB 2.400 . 3.100 2.358 2.149 2.533 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLN HA 1 9 GLN HE21 3.400 . 4.800 3.019 2.584 4.215 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLN HA 1 9 GLN HE22 3.600 . 5.200 4.464 4.070 4.937 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLN HA 1 9 GLN HG2 2.800 . 3.800 3.010 2.012 4.005 0.205 9 0 "[ . 1 . 2]" 1
190 1 9 GLN HA 1 9 GLN HG3 2.800 . 3.800 3.167 2.914 3.518 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLN HA 1 10 CYS H 2.000 . 2.500 2.176 2.117 2.210 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLN HA 1 16 SER HA 2.700 . 3.600 2.274 2.147 2.415 . 0 0 "[ . 1 . 2]" 1
193 1 9 GLN HA 1 16 SER HB2 2.800 . 6.000 5.047 4.710 5.144 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLN HA 1 16 SER HB3 2.600 . 6.000 3.888 3.583 3.989 . 0 0 "[ . 1 . 2]" 1
195 1 9 GLN HA 1 17 PHE H 2.900 . 4.000 3.174 2.992 3.261 . 0 0 "[ . 1 . 2]" 1
196 1 9 GLN HA 1 17 PHE QE 4.000 . 6.000 4.384 4.183 4.563 . 0 0 "[ . 1 . 2]" 1
197 1 9 GLN HA 1 23 LEU MD2 3.100 . 4.300 4.002 3.756 4.234 . 0 0 "[ . 1 . 2]" 1
198 1 9 GLN QB 1 9 GLN HE21 2.900 . 3.900 2.689 1.856 3.744 0.044 7 0 "[ . 1 . 2]" 1
199 1 9 GLN QB 1 9 GLN HE22 3.200 . 4.500 3.471 3.131 4.062 . 0 0 "[ . 1 . 2]" 1
200 1 9 GLN QB 1 9 GLN HG2 2.100 . 2.700 2.318 2.106 2.525 . 0 0 "[ . 1 . 2]" 1
201 1 9 GLN QB 1 9 GLN HG3 2.200 . 2.800 2.318 2.125 2.519 . 0 0 "[ . 1 . 2]" 1
202 1 9 GLN QB 1 10 CYS H 2.600 . 3.500 3.330 3.077 3.709 0.209 6 0 "[ . 1 . 2]" 1
203 1 9 GLN QB 1 23 LEU MD2 3.500 . 5.000 4.388 4.066 4.591 . 0 0 "[ . 1 . 2]" 1
204 1 9 GLN QB 1 17 PHE H 3.600 . 5.200 4.584 3.959 5.089 . 0 0 "[ . 1 . 2]" 1
205 1 9 GLN HE21 1 9 GLN HG2 2.600 . 3.400 3.018 2.372 3.530 0.130 5 0 "[ . 1 . 2]" 1
206 1 9 GLN HE21 1 10 CYS H 2.800 . 3.800 2.500 2.367 3.062 . 0 0 "[ . 1 . 2]" 1
207 1 9 GLN HE21 1 10 CYS HB2 3.600 . 5.200 5.198 4.804 5.279 0.079 20 0 "[ . 1 . 2]" 1
208 1 9 GLN HE21 1 10 CYS HB3 3.200 . 6.000 3.867 3.444 4.002 . 0 0 "[ . 1 . 2]" 1
209 1 9 GLN HE21 1 14 ASP HA 2.800 . 3.800 2.795 1.796 3.234 0.004 9 0 "[ . 1 . 2]" 1
210 1 9 GLN HE21 1 14 ASP QB 3.500 . 5.100 4.532 3.973 4.715 . 0 0 "[ . 1 . 2]" 1
211 1 9 GLN HE21 1 15 TRP H 3.700 . 5.400 3.538 3.084 3.872 . 0 0 "[ . 1 . 2]" 1
212 1 9 GLN HE21 1 16 SER HB3 4.600 . 6.300 4.378 3.540 6.116 . 0 0 "[ . 1 . 2]" 1
213 1 9 GLN HE22 1 9 GLN HG2 3.100 . 4.300 3.839 3.540 4.087 . 0 0 "[ . 1 . 2]" 1
214 1 9 GLN HE22 1 10 CYS H 3.000 . 4.100 4.070 3.656 4.174 0.074 11 0 "[ . 1 . 2]" 1
215 1 9 GLN HE22 1 10 CYS HB3 3.400 . 6.000 5.072 4.412 5.291 . 0 0 "[ . 1 . 2]" 1
216 1 9 GLN HE22 1 14 ASP H 3.600 . 5.200 4.700 4.129 5.229 0.029 5 0 "[ . 1 . 2]" 1
217 1 9 GLN HE22 1 14 ASP HA 2.500 . 3.300 2.551 1.941 3.229 . 0 0 "[ . 1 . 2]" 1
218 1 9 GLN HE22 1 14 ASP QB 3.300 . 4.700 3.703 3.224 4.040 . 0 0 "[ . 1 . 2]" 1
219 1 9 GLN HE22 1 15 TRP H 3.500 . 5.000 4.172 3.464 4.364 . 0 0 "[ . 1 . 2]" 1
220 1 9 GLN HE22 1 15 TRP HA 5.000 . 6.300 4.639 3.700 5.217 . 0 0 "[ . 1 . 2]" 1
221 1 9 GLN HE22 1 16 SER HA 5.200 . 6.300 4.577 3.546 5.381 . 0 0 "[ . 1 . 2]" 1
222 1 9 GLN HE22 1 16 SER HB3 3.900 . 5.800 4.616 3.326 5.821 0.021 17 0 "[ . 1 . 2]" 1
223 1 9 GLN HE22 1 23 LEU MD1 4.200 . 6.300 6.195 5.477 6.380 0.080 9 0 "[ . 1 . 2]" 1
224 1 9 GLN HG2 1 10 CYS H 3.000 . 6.000 3.921 3.331 4.534 . 0 0 "[ . 1 . 2]" 1
225 1 9 GLN HG3 1 23 LEU MD2 4.000 . 6.000 4.252 4.067 4.532 . 0 0 "[ . 1 . 2]" 1
226 1 10 CYS H 1 10 CYS HA 2.600 . 3.500 2.899 2.859 2.918 . 0 0 "[ . 1 . 2]" 1
227 1 10 CYS H 1 10 CYS HB2 2.300 . 3.000 3.052 2.965 3.113 0.113 17 0 "[ . 1 . 2]" 1
228 1 10 CYS H 1 10 CYS HB3 2.300 . 2.900 2.263 2.126 2.356 . 0 0 "[ . 1 . 2]" 1
229 1 10 CYS H 1 11 PRO HA 4.700 . 6.300 5.324 5.201 5.418 . 0 0 "[ . 1 . 2]" 1
230 1 10 CYS H 1 13 CYS H 3.900 . 5.800 5.410 5.247 5.743 . 0 0 "[ . 1 . 2]" 1
231 1 10 CYS H 1 14 ASP H 3.700 . 5.500 4.638 4.502 4.985 . 0 0 "[ . 1 . 2]" 1
232 1 10 CYS H 1 14 ASP HA 4.300 . 6.300 4.111 3.934 4.313 . 0 0 "[ . 1 . 2]" 1
233 1 10 CYS H 1 15 TRP HA 3.500 . 5.000 4.502 4.419 4.712 . 0 0 "[ . 1 . 2]" 1
234 1 10 CYS H 1 16 SER HA 2.600 . 3.400 3.366 3.136 3.441 0.041 1 0 "[ . 1 . 2]" 1
235 1 10 CYS H 1 16 SER HB3 3.000 . 6.000 5.199 4.812 5.402 . 0 0 "[ . 1 . 2]" 1
236 1 10 CYS H 1 17 PHE H 3.500 . 5.100 4.702 4.379 4.827 . 0 0 "[ . 1 . 2]" 1
237 1 10 CYS H 1 17 PHE QD 3.500 . 5.000 3.841 3.566 4.005 . 0 0 "[ . 1 . 2]" 1
238 1 10 CYS H 1 17 PHE QE 3.400 . 4.800 3.825 3.554 4.009 . 0 0 "[ . 1 . 2]" 1
239 1 10 CYS H 1 23 LEU MD1 2.700 . 3.600 2.929 2.523 3.056 . 0 0 "[ . 1 . 2]" 1
240 1 10 CYS H 1 23 LEU MD2 3.600 . 5.200 4.585 4.145 4.865 . 0 0 "[ . 1 . 2]" 1
241 1 10 CYS H 1 26 HIS HD2 3.400 . 4.900 4.820 4.546 4.926 0.026 8 0 "[ . 1 . 2]" 1
242 1 10 CYS HA 1 10 CYS HB2 2.400 . 3.100 2.340 2.264 2.383 . 0 0 "[ . 1 . 2]" 1
243 1 10 CYS HA 1 10 CYS HB3 2.800 . 3.800 3.001 2.954 3.025 . 0 0 "[ . 1 . 2]" 1
244 1 10 CYS HA 1 11 PRO QD 2.400 . 3.100 1.948 1.906 1.973 . 0 0 "[ . 1 . 2]" 1
245 1 10 CYS HA 1 17 PHE QE 3.600 . 5.300 4.866 4.682 5.170 . 0 0 "[ . 1 . 2]" 1
246 1 10 CYS HA 1 23 LEU MD1 2.300 . 2.900 2.637 2.367 2.855 . 0 0 "[ . 1 . 2]" 1
247 1 10 CYS HA 1 23 LEU MD2 3.100 . 4.300 4.016 3.750 4.211 . 0 0 "[ . 1 . 2]" 1
248 1 10 CYS HA 1 26 HIS HD2 3.200 . 4.500 4.147 4.027 4.317 . 0 0 "[ . 1 . 2]" 1
249 1 10 CYS HA 1 27 ARG HD2 3.000 . 4.100 2.101 1.861 2.435 0.039 16 0 "[ . 1 . 2]" 1
250 1 10 CYS HA 1 27 ARG HD3 3.200 . 4.500 3.157 2.863 3.467 . 0 0 "[ . 1 . 2]" 1
251 1 10 CYS HA 1 27 ARG HE 4.000 . 6.000 4.421 3.958 5.070 . 0 0 "[ . 1 . 2]" 1
252 1 10 CYS HA 1 30 HIS HD2 3.800 . 5.600 4.541 4.096 4.783 . 0 0 "[ . 1 . 2]" 1
253 1 10 CYS HB2 1 11 PRO QD 2.700 . 6.000 3.541 3.356 3.669 . 0 0 "[ . 1 . 2]" 1
254 1 10 CYS HB2 1 12 ASP H 3.400 . 4.900 4.040 3.924 4.142 . 0 0 "[ . 1 . 2]" 1
255 1 10 CYS HB2 1 13 CYS H 3.000 . 4.100 4.142 4.079 4.260 0.160 6 0 "[ . 1 . 2]" 1
256 1 10 CYS HB2 1 15 TRP H 3.300 . 4.700 3.596 3.533 3.759 . 0 0 "[ . 1 . 2]" 1
257 1 10 CYS HB2 1 17 PHE QE 2.300 . 3.000 3.084 3.019 3.530 0.530 6 1 "[ .+ 1 . 2]" 1
258 1 10 CYS HB2 1 23 LEU MD1 2.500 . 3.300 2.639 2.501 2.799 . 0 0 "[ . 1 . 2]" 1
259 1 10 CYS HB2 1 30 HIS HD2 3.900 . 5.800 3.677 3.062 3.951 . 0 0 "[ . 1 . 2]" 1
260 1 10 CYS HB2 1 26 HIS HD2 2.300 . 3.000 2.090 1.989 2.188 . 0 0 "[ . 1 . 2]" 1
261 1 10 CYS HB3 1 11 PRO QD 3.100 . 4.300 4.181 4.135 4.258 . 0 0 "[ . 1 . 2]" 1
262 1 10 CYS HB3 1 12 ASP H 3.200 . 4.500 3.920 3.708 4.196 . 0 0 "[ . 1 . 2]" 1
263 1 10 CYS HB3 1 13 CYS H 2.600 . 6.000 3.532 3.286 4.063 . 0 0 "[ . 1 . 2]" 1
264 1 10 CYS HB3 1 14 ASP H 3.900 . 5.800 3.417 3.203 3.896 . 0 0 "[ . 1 . 2]" 1
265 1 10 CYS HB3 1 15 TRP H 3.100 . 4.300 1.908 1.835 2.189 0.065 4 0 "[ . 1 . 2]" 1
266 1 10 CYS HB3 1 15 TRP HB2 3.300 . 4.700 1.936 1.845 2.213 0.055 17 0 "[ . 1 . 2]" 1
267 1 10 CYS HB3 1 16 SER HA 4.400 . 6.300 4.987 4.607 5.202 . 0 0 "[ . 1 . 2]" 1
268 1 10 CYS HB3 1 17 PHE QD 3.700 . 5.400 4.681 4.212 4.938 . 0 0 "[ . 1 . 2]" 1
269 1 10 CYS HB3 1 17 PHE QE 2.900 . 4.000 3.348 3.075 3.576 . 0 0 "[ . 1 . 2]" 1
270 1 10 CYS HB3 1 23 LEU MD1 3.200 . 4.500 3.543 3.069 3.689 . 0 0 "[ . 1 . 2]" 1
271 1 10 CYS HB3 1 26 HIS HD2 2.800 . 3.800 3.441 3.055 3.541 . 0 0 "[ . 1 . 2]" 1
272 1 10 CYS HB3 1 27 ARG HD2 4.600 . 6.300 4.216 3.831 4.497 . 0 0 "[ . 1 . 2]" 1
273 1 11 PRO HA 1 11 PRO HB2 2.100 . 2.600 2.659 2.645 2.673 0.073 14 0 "[ . 1 . 2]" 1
274 1 11 PRO HA 1 11 PRO HB3 2.600 . 3.500 2.314 2.306 2.325 . 0 0 "[ . 1 . 2]" 1
275 1 11 PRO HA 1 11 PRO QG 2.600 . 3.500 3.517 3.509 3.524 0.024 8 0 "[ . 1 . 2]" 1
276 1 11 PRO HA 1 12 ASP H 2.900 . 4.000 3.303 3.229 3.365 . 0 0 "[ . 1 . 2]" 1
277 1 11 PRO HA 1 13 CYS H 3.600 . 5.200 4.977 4.712 5.149 . 0 0 "[ . 1 . 2]" 1
278 1 11 PRO HB2 1 11 PRO QD 2.900 . 4.000 3.550 3.541 3.557 . 0 0 "[ . 1 . 2]" 1
279 1 11 PRO HB2 1 11 PRO QG 2.200 . 2.800 2.183 2.179 2.186 . 0 0 "[ . 1 . 2]" 1
280 1 11 PRO HB2 1 12 ASP H 3.200 . 4.500 4.034 3.910 4.136 . 0 0 "[ . 1 . 2]" 1
281 1 11 PRO HB2 1 12 ASP HA 3.200 . 4.500 4.396 4.324 4.474 . 0 0 "[ . 1 . 2]" 1
282 1 11 PRO HB3 1 11 PRO HD3 2.700 . 3.600 3.159 3.080 3.253 . 0 0 "[ . 1 . 2]" 1
283 1 11 PRO QD 1 11 PRO HG2 3.200 . 4.500 2.123 2.117 2.128 . 0 0 "[ . 1 . 2]" 1
284 1 11 PRO QD 1 13 CYS H 3.500 . 5.100 4.423 4.208 4.594 . 0 0 "[ . 1 . 2]" 1
285 1 11 PRO QD 1 26 HIS HD2 3.600 . 5.300 4.860 4.675 5.093 . 0 0 "[ . 1 . 2]" 1
286 1 11 PRO QD 1 27 ARG HD3 2.700 . 3.600 2.960 2.747 3.311 . 0 0 "[ . 1 . 2]" 1
287 1 11 PRO HD2 1 12 ASP H 2.600 . 3.500 2.595 2.374 2.790 . 0 0 "[ . 1 . 2]" 1
288 1 11 PRO HD2 1 27 ARG HD2 2.000 . 2.500 2.268 2.036 2.532 0.032 19 0 "[ . 1 . 2]" 1
289 1 11 PRO HD2 1 27 ARG HE 3.100 . 4.300 3.197 2.604 4.093 . 0 0 "[ . 1 . 2]" 1
290 1 11 PRO HD2 1 30 HIS HD2 4.100 . 6.200 3.849 3.390 4.268 . 0 0 "[ . 1 . 2]" 1
291 1 12 ASP H 1 12 ASP HA 2.400 . 3.100 2.941 2.912 2.952 . 0 0 "[ . 1 . 2]" 1
292 1 12 ASP H 1 12 ASP HB2 2.200 . 2.800 2.662 2.389 2.868 0.068 7 0 "[ . 1 . 2]" 1
293 1 12 ASP H 1 12 ASP HB3 2.300 . 2.900 2.742 2.514 2.954 0.054 20 0 "[ . 1 . 2]" 1
294 1 12 ASP H 1 13 CYS H 2.100 . 2.700 2.328 2.236 2.457 . 0 0 "[ . 1 . 2]" 1
295 1 12 ASP H 1 13 CYS HA 3.800 . 5.600 4.940 4.880 5.034 . 0 0 "[ . 1 . 2]" 1
296 1 12 ASP H 1 23 LEU MD1 4.500 . 6.300 5.530 5.357 5.715 . 0 0 "[ . 1 . 2]" 1
297 1 12 ASP H 1 27 ARG HD2 3.000 . 4.100 4.205 4.151 4.262 0.162 14 0 "[ . 1 . 2]" 1
298 1 12 ASP H 1 27 ARG HD3 3.500 . 6.000 5.775 5.673 5.930 . 0 0 "[ . 1 . 2]" 1
299 1 12 ASP H 1 30 HIS HD2 3.500 . 5.000 4.649 4.333 4.842 . 0 0 "[ . 1 . 2]" 1
300 1 12 ASP HA 1 12 ASP HB2 2.300 . 3.000 2.573 2.441 2.713 . 0 0 "[ . 1 . 2]" 1
301 1 12 ASP HA 1 12 ASP HB3 2.700 . 3.600 3.006 2.954 3.025 . 0 0 "[ . 1 . 2]" 1
302 1 12 ASP HA 1 13 CYS H 2.800 . 3.800 3.567 3.546 3.576 . 0 0 "[ . 1 . 2]" 1
303 1 12 ASP HB2 1 13 CYS H 2.800 . 3.800 3.613 3.413 3.784 . 0 0 "[ . 1 . 2]" 1
304 1 12 ASP HB2 1 27 ARG HE 3.700 . 5.400 4.503 3.740 5.309 . 0 0 "[ . 1 . 2]" 1
305 1 12 ASP HB2 1 30 HIS HD2 2.900 . 3.900 4.073 3.696 4.554 0.654 7 2 "[ -. + 1 . 2]" 1
306 1 12 ASP HB3 1 13 CYS H 2.800 . 3.800 2.406 2.248 2.673 . 0 0 "[ . 1 . 2]" 1
307 1 12 ASP HB3 1 30 HIS HB2 3.300 . 4.700 4.539 4.184 4.753 0.053 16 0 "[ . 1 . 2]" 1
308 1 12 ASP HB3 1 30 HIS HD2 2.700 . 6.000 3.943 3.663 4.284 . 0 0 "[ . 1 . 2]" 1
309 1 13 CYS H 1 13 CYS HA 2.800 . 3.800 2.946 2.937 2.957 . 0 0 "[ . 1 . 2]" 1
310 1 13 CYS H 1 13 CYS HB2 3.100 . 4.300 2.862 2.789 2.939 . 0 0 "[ . 1 . 2]" 1
311 1 13 CYS H 1 13 CYS HB3 3.100 . 4.300 3.728 3.680 3.789 . 0 0 "[ . 1 . 2]" 1
312 1 13 CYS H 1 14 ASP H 2.700 . 3.600 2.092 1.976 2.226 . 0 0 "[ . 1 . 2]" 1
313 1 13 CYS H 1 14 ASP HA 4.000 . 6.000 4.315 4.187 4.427 . 0 0 "[ . 1 . 2]" 1
314 1 13 CYS H 1 14 ASP QB 3.400 . 4.900 4.704 4.607 4.791 . 0 0 "[ . 1 . 2]" 1
315 1 13 CYS H 1 15 TRP H 3.700 . 5.400 3.297 3.219 3.389 . 0 0 "[ . 1 . 2]" 1
316 1 13 CYS H 1 15 TRP HA 3.800 . 5.600 5.050 4.976 5.136 . 0 0 "[ . 1 . 2]" 1
317 1 13 CYS HA 1 13 CYS HB2 2.200 . 6.000 2.986 2.964 3.000 . 0 0 "[ . 1 . 2]" 1
318 1 13 CYS HA 1 13 CYS HB3 2.100 . 2.700 2.312 2.284 2.332 . 0 0 "[ . 1 . 2]" 1
319 1 13 CYS HA 1 14 ASP H 2.700 . 3.600 3.312 3.280 3.349 . 0 0 "[ . 1 . 2]" 1
320 1 13 CYS HA 1 14 ASP HB2 3.100 . 4.300 4.243 4.123 4.342 0.042 3 0 "[ . 1 . 2]" 1
321 1 13 CYS HA 1 15 TRP H 3.500 . 5.100 4.681 4.558 4.845 . 0 0 "[ . 1 . 2]" 1
322 1 13 CYS HB2 1 14 ASP H 2.100 . 6.000 3.409 3.286 3.520 . 0 0 "[ . 1 . 2]" 1
323 1 13 CYS HB2 1 14 ASP QB 3.300 . 4.600 4.612 4.557 4.658 0.058 19 0 "[ . 1 . 2]" 1
324 1 13 CYS HB2 1 15 TRP H 3.100 . 4.300 2.934 2.743 3.123 . 0 0 "[ . 1 . 2]" 1
325 1 13 CYS HB2 1 15 TRP HD1 3.500 . 6.000 1.535 1.365 1.731 . 0 0 "[ . 1 . 2]" 1
326 1 13 CYS HB3 1 14 ASP H 2.300 . 6.000 4.374 4.302 4.433 . 0 0 "[ . 1 . 2]" 1
327 1 13 CYS HB3 1 15 TRP H 3.300 . 4.700 4.513 4.329 4.747 0.047 6 0 "[ . 1 . 2]" 1
328 1 13 CYS HB3 1 15 TRP HD1 4.000 . 6.000 2.659 2.509 2.874 . 0 0 "[ . 1 . 2]" 1
329 1 14 ASP H 1 14 ASP HA 2.300 . 3.000 2.276 2.263 2.291 . 0 0 "[ . 1 . 2]" 1
330 1 14 ASP H 1 14 ASP HB2 2.100 . 6.000 3.208 3.170 3.254 . 0 0 "[ . 1 . 2]" 1
331 1 14 ASP H 1 15 TRP H 2.500 . 3.300 2.427 2.345 2.504 . 0 0 "[ . 1 . 2]" 1
332 1 14 ASP H 1 15 TRP HA 4.500 . 6.300 5.051 4.958 5.130 . 0 0 "[ . 1 . 2]" 1
333 1 14 ASP H 1 15 TRP HD1 3.300 . 4.700 4.668 4.358 4.756 0.056 15 0 "[ . 1 . 2]" 1
334 1 14 ASP HA 1 14 ASP QB 2.000 . 2.500 2.488 2.439 2.516 0.016 18 0 "[ . 1 . 2]" 1
335 1 14 ASP HA 1 15 TRP H 2.800 . 3.700 2.840 2.762 2.914 . 0 0 "[ . 1 . 2]" 1
336 1 15 TRP H 1 15 TRP HA 2.500 . 3.300 2.884 2.860 2.913 . 0 0 "[ . 1 . 2]" 1
337 1 15 TRP H 1 15 TRP HB2 2.200 . 2.800 2.134 2.092 2.189 . 0 0 "[ . 1 . 2]" 1
338 1 15 TRP H 1 15 TRP HB3 2.600 . 3.400 3.404 3.345 3.460 0.060 6 0 "[ . 1 . 2]" 1
339 1 15 TRP H 1 15 TRP HD1 2.600 . 3.500 3.428 3.214 3.549 0.049 15 0 "[ . 1 . 2]" 1
340 1 15 TRP H 1 15 TRP HE1 4.100 . 6.200 5.780 5.585 5.915 . 0 0 "[ . 1 . 2]" 1
341 1 15 TRP H 1 15 TRP HE3 3.500 . 6.000 5.473 5.394 5.563 . 0 0 "[ . 1 . 2]" 1
342 1 15 TRP H 1 16 SER H 3.100 . 6.000 4.584 4.345 4.622 . 0 0 "[ . 1 . 2]" 1
343 1 15 TRP H 1 17 PHE QE 3.700 . 5.400 4.520 4.363 4.670 . 0 0 "[ . 1 . 2]" 1
344 1 15 TRP H 1 17 PHE HZ 4.400 . 6.300 5.983 5.727 6.124 . 0 0 "[ . 1 . 2]" 1
345 1 15 TRP H 1 26 HIS HD2 3.500 . 5.000 5.012 4.763 5.084 0.084 14 0 "[ . 1 . 2]" 1
346 1 15 TRP HA 1 15 TRP HB2 2.500 . 3.300 2.946 2.916 2.974 . 0 0 "[ . 1 . 2]" 1
347 1 15 TRP HA 1 15 TRP HD1 2.700 . 6.000 3.880 3.779 4.033 . 0 0 "[ . 1 . 2]" 1
348 1 15 TRP HA 1 15 TRP HE1 6.200 . 6.300 5.133 5.063 5.218 . 0 0 "[ . 1 . 2]" 1
349 1 15 TRP HA 1 15 TRP HE3 4.100 . 6.200 3.261 3.023 3.460 . 0 0 "[ . 1 . 2]" 1
350 1 15 TRP HA 1 15 TRP HZ3 3.300 . 6.000 5.262 5.040 5.467 . 0 0 "[ . 1 . 2]" 1
351 1 15 TRP HA 1 16 SER H 2.000 . 2.500 2.285 2.109 2.394 . 0 0 "[ . 1 . 2]" 1
352 1 15 TRP HA 1 17 PHE QE 3.700 . 5.400 4.532 4.296 4.619 . 0 0 "[ . 1 . 2]" 1
353 1 15 TRP HA 1 17 PHE HZ 3.900 . 5.800 5.293 5.014 5.480 . 0 0 "[ . 1 . 2]" 1
354 1 15 TRP HB2 1 15 TRP HD1 2.700 . 3.600 2.602 2.570 2.654 . 0 0 "[ . 1 . 2]" 1
355 1 15 TRP HB2 1 15 TRP HE3 2.900 . 6.000 4.157 4.113 4.178 . 0 0 "[ . 1 . 2]" 1
356 1 15 TRP HB2 1 16 SER H 3.100 . 4.300 4.209 4.037 4.460 0.160 6 0 "[ . 1 . 2]" 1
357 1 15 TRP HB2 1 17 PHE QE 2.800 . 3.800 2.802 2.657 2.917 . 0 0 "[ . 1 . 2]" 1
358 1 15 TRP HB2 1 17 PHE HZ 2.900 . 4.000 3.903 3.690 4.019 0.019 14 0 "[ . 1 . 2]" 1
359 1 15 TRP HB2 1 26 HIS HD2 3.000 . 4.100 3.469 3.307 3.565 . 0 0 "[ . 1 . 2]" 1
360 1 15 TRP HB3 1 15 TRP HD1 3.100 . 4.300 3.760 3.726 3.808 . 0 0 "[ . 1 . 2]" 1
361 1 15 TRP HB3 1 15 TRP HE1 5.300 . 6.300 5.221 5.207 5.241 . 0 0 "[ . 1 . 2]" 1
362 1 15 TRP HB3 1 15 TRP HE3 3.000 . 4.100 2.663 2.575 2.719 . 0 0 "[ . 1 . 2]" 1
363 1 15 TRP HB3 1 16 SER H 2.700 . 3.600 3.017 2.712 3.601 0.001 6 0 "[ . 1 . 2]" 1
364 1 15 TRP HB3 1 17 PHE QE 2.600 . 3.400 1.945 1.842 2.052 . 0 0 "[ . 1 . 2]" 1
365 1 15 TRP HB3 1 17 PHE HZ 2.700 . 3.600 2.873 2.553 3.069 . 0 0 "[ . 1 . 2]" 1
366 1 15 TRP HB3 1 26 HIS HD2 2.600 . 6.000 3.979 3.826 4.216 . 0 0 "[ . 1 . 2]" 1
367 1 15 TRP HD1 1 17 PHE QE 3.800 . 5.600 4.886 4.746 4.998 . 0 0 "[ . 1 . 2]" 1
368 1 15 TRP HD1 1 17 PHE HZ 4.200 . 6.300 4.927 4.768 5.162 . 0 0 "[ . 1 . 2]" 1
369 1 15 TRP HD1 1 26 HIS HD2 3.400 . 4.900 4.921 4.830 4.952 0.052 1 0 "[ . 1 . 2]" 1
370 1 15 TRP HD1 1 29 ARG QD 4.500 . 6.300 6.338 6.298 6.415 0.115 10 0 "[ . 1 . 2]" 1
371 1 15 TRP HE1 1 15 TRP HZ3 4.900 . 6.300 5.548 5.518 5.618 . 0 0 "[ . 1 . 2]" 1
372 1 15 TRP HE1 1 17 PHE QE 4.500 . 6.300 6.027 5.824 6.314 0.014 6 0 "[ . 1 . 2]" 1
373 1 15 TRP HE3 1 17 PHE HZ 2.700 . 3.600 3.363 2.965 3.625 0.025 12 0 "[ . 1 . 2]" 1
374 1 15 TRP HZ3 1 16 SER H 2.800 . 6.000 4.495 4.195 5.205 . 0 0 "[ . 1 . 2]" 1
375 1 15 TRP HZ3 1 16 SER HA 4.700 . 6.300 6.157 6.001 6.318 0.018 16 0 "[ . 1 . 2]" 1
376 1 15 TRP HZ3 1 17 PHE QE 2.400 . 6.000 4.071 3.535 4.572 . 0 0 "[ . 1 . 2]" 1
377 1 16 SER H 1 16 SER HA 2.800 . 3.700 2.940 2.919 2.947 . 0 0 "[ . 1 . 2]" 1
378 1 16 SER H 1 16 SER HB2 3.000 . 4.100 3.129 2.863 3.454 . 0 0 "[ . 1 . 2]" 1
379 1 16 SER H 1 16 SER HB3 3.100 . 4.300 3.759 3.389 3.887 . 0 0 "[ . 1 . 2]" 1
380 1 16 SER H 1 17 PHE H 4.000 . 6.000 4.342 4.249 4.493 . 0 0 "[ . 1 . 2]" 1
381 1 16 SER HA 1 16 SER HB2 2.400 . 3.100 2.930 2.801 3.026 . 0 0 "[ . 1 . 2]" 1
382 1 16 SER HA 1 16 SER HB3 2.400 . 3.100 2.281 2.240 2.395 . 0 0 "[ . 1 . 2]" 1
383 1 16 SER HA 1 17 PHE H 2.200 . 2.800 2.142 2.107 2.170 . 0 0 "[ . 1 . 2]" 1
384 1 16 SER HA 1 17 PHE QD 2.500 . 3.300 3.346 3.300 3.400 0.100 7 0 "[ . 1 . 2]" 1
385 1 16 SER HA 1 17 PHE QE 3.200 . 4.500 4.508 4.461 4.536 0.036 10 0 "[ . 1 . 2]" 1
386 1 16 SER HB2 1 17 PHE H 2.500 . 6.000 3.734 3.456 4.072 . 0 0 "[ . 1 . 2]" 1
387 1 16 SER HB3 1 17 PHE H 2.700 . 3.600 3.434 3.200 3.690 0.090 6 0 "[ . 1 . 2]" 1
388 1 17 PHE H 1 17 PHE HB2 2.600 . 6.000 2.723 2.659 2.781 . 0 0 "[ . 1 . 2]" 1
389 1 17 PHE H 1 17 PHE HB3 3.000 . 4.200 3.817 3.782 3.855 . 0 0 "[ . 1 . 2]" 1
390 1 17 PHE H 1 17 PHE QD 2.400 . 3.100 2.746 2.648 2.848 . 0 0 "[ . 1 . 2]" 1
391 1 17 PHE H 1 17 PHE QE 3.500 . 5.000 4.739 4.641 4.822 . 0 0 "[ . 1 . 2]" 1
392 1 17 PHE H 1 23 LEU MD1 3.700 . 5.400 3.640 3.340 3.874 . 0 0 "[ . 1 . 2]" 1
393 1 17 PHE H 1 23 LEU MD2 3.800 . 5.600 4.721 4.494 4.924 . 0 0 "[ . 1 . 2]" 1
394 1 17 PHE HB2 1 17 PHE QD 2.100 . 2.600 2.404 2.382 2.425 . 0 0 "[ . 1 . 2]" 1
395 1 17 PHE HB2 1 18 SER H 3.000 . 4.100 3.992 3.932 4.068 . 0 0 "[ . 1 . 2]" 1
396 1 17 PHE HB2 1 22 HIS HB2 3.100 . 4.300 3.935 3.475 4.277 . 0 0 "[ . 1 . 2]" 1
397 1 17 PHE HB2 1 23 LEU H 3.100 . 4.300 3.254 3.142 3.408 . 0 0 "[ . 1 . 2]" 1
398 1 17 PHE HB2 1 23 LEU HA 3.200 . 4.500 3.411 3.316 3.579 . 0 0 "[ . 1 . 2]" 1
399 1 17 PHE HB2 1 23 LEU HB3 3.300 . 4.600 3.687 3.514 3.858 . 0 0 "[ . 1 . 2]" 1
400 1 17 PHE HB3 1 17 PHE QD 2.100 . 2.600 2.358 2.337 2.380 . 0 0 "[ . 1 . 2]" 1
401 1 17 PHE HB3 1 22 HIS H 3.700 . 5.400 4.315 4.187 4.381 . 0 0 "[ . 1 . 2]" 1
402 1 17 PHE HB3 1 22 HIS HB2 2.900 . 4.000 2.617 2.226 2.902 . 0 0 "[ . 1 . 2]" 1
403 1 17 PHE HB3 1 22 HIS HB3 4.100 . 6.200 2.648 2.267 2.984 . 0 0 "[ . 1 . 2]" 1
404 1 17 PHE HB3 1 23 LEU H 3.300 . 4.700 3.319 3.237 3.399 . 0 0 "[ . 1 . 2]" 1
405 1 17 PHE QD 1 22 HIS HA 3.800 . 5.600 4.534 4.310 4.724 . 0 0 "[ . 1 . 2]" 1
406 1 17 PHE QD 1 22 HIS HB2 2.500 . 3.300 3.333 3.301 3.364 0.064 17 0 "[ . 1 . 2]" 1
407 1 17 PHE QD 1 22 HIS HB3 2.400 . 3.100 2.043 1.919 2.205 . 0 0 "[ . 1 . 2]" 1
408 1 17 PHE QD 1 22 HIS HD2 5.100 . 6.300 5.740 5.575 5.945 . 0 0 "[ . 1 . 2]" 1
409 1 17 PHE QD 1 23 LEU HA 2.600 . 3.400 2.879 2.748 2.988 . 0 0 "[ . 1 . 2]" 1
410 1 17 PHE QD 1 23 LEU HB2 3.500 . 5.000 2.704 2.590 2.763 . 0 0 "[ . 1 . 2]" 1
411 1 17 PHE QD 1 23 LEU HB3 3.100 . 4.300 4.291 4.209 4.328 0.028 18 0 "[ . 1 . 2]" 1
412 1 17 PHE QD 1 23 LEU MD1 2.200 . 2.800 1.766 1.600 2.001 . 0 0 "[ . 1 . 2]" 1
413 1 17 PHE QD 1 23 LEU MD2 2.900 . 4.000 3.896 3.808 3.992 . 0 0 "[ . 1 . 2]" 1
414 1 17 PHE QD 1 23 LEU HG 3.100 . 4.300 4.346 4.310 4.387 0.087 7 0 "[ . 1 . 2]" 1
415 1 17 PHE QE 1 22 HIS HB2 3.600 . 5.200 5.176 5.100 5.231 0.031 9 0 "[ . 1 . 2]" 1
416 1 17 PHE QE 1 22 HIS HB3 3.500 . 5.000 3.584 3.477 3.705 . 0 0 "[ . 1 . 2]" 1
417 1 17 PHE QE 1 23 LEU HA 2.800 . 3.800 3.315 3.201 3.451 . 0 0 "[ . 1 . 2]" 1
418 1 17 PHE QE 1 23 LEU HB2 3.500 . 6.000 4.476 4.398 4.555 . 0 0 "[ . 1 . 2]" 1
419 1 17 PHE QE 1 23 LEU HB3 4.200 . 6.300 5.649 5.578 5.745 . 0 0 "[ . 1 . 2]" 1
420 1 17 PHE QE 1 23 LEU MD1 2.300 . 3.000 2.521 2.352 2.648 . 0 0 "[ . 1 . 2]" 1
421 1 17 PHE QE 1 23 LEU MD2 4.000 . 6.000 5.077 4.975 5.176 . 0 0 "[ . 1 . 2]" 1
422 1 17 PHE QE 1 23 LEU HG 3.800 . 5.600 4.905 4.799 5.010 . 0 0 "[ . 1 . 2]" 1
423 1 17 PHE QE 1 26 HIS H 3.800 . 5.600 4.834 4.684 4.902 . 0 0 "[ . 1 . 2]" 1
424 1 17 PHE QE 1 26 HIS HA 4.000 . 6.000 5.090 4.987 5.195 . 0 0 "[ . 1 . 2]" 1
425 1 17 PHE QE 1 26 HIS HB2 2.900 . 4.000 3.206 3.127 3.288 . 0 0 "[ . 1 . 2]" 1
426 1 17 PHE HZ 1 23 LEU HA 3.600 . 5.300 4.263 4.104 4.383 . 0 0 "[ . 1 . 2]" 1
427 1 17 PHE HZ 1 23 LEU MD1 3.300 . 4.600 4.344 4.164 4.446 . 0 0 "[ . 1 . 2]" 1
428 1 17 PHE HZ 1 26 HIS H 3.500 . 5.100 5.051 4.847 5.125 0.025 10 0 "[ . 1 . 2]" 1
429 1 17 PHE HZ 1 26 HIS HA 3.400 . 4.800 4.673 4.504 4.786 . 0 0 "[ . 1 . 2]" 1
430 1 17 PHE HZ 1 26 HIS HB2 2.800 . 3.800 2.462 2.265 2.573 . 0 0 "[ . 1 . 2]" 1
431 1 17 PHE HZ 1 26 HIS HB3 2.500 . 3.300 3.150 3.031 3.347 0.047 10 0 "[ . 1 . 2]" 1
432 1 17 PHE HZ 1 26 HIS HD2 2.600 . 6.000 3.919 3.771 4.192 . 0 0 "[ . 1 . 2]" 1
433 1 18 SER H 1 18 SER HA 2.800 . 3.800 2.898 2.873 2.918 . 0 0 "[ . 1 . 2]" 1
434 1 18 SER H 1 18 SER HB2 2.800 . 3.800 3.052 2.701 3.304 . 0 0 "[ . 1 . 2]" 1
435 1 18 SER H 1 18 SER HB3 2.900 . 3.900 3.477 3.277 3.646 . 0 0 "[ . 1 . 2]" 1
436 1 18 SER H 1 19 ARG H 2.400 . 3.100 2.319 2.242 2.383 . 0 0 "[ . 1 . 2]" 1
437 1 18 SER H 1 22 HIS HB2 4.000 . 6.000 4.547 4.294 4.751 . 0 0 "[ . 1 . 2]" 1
438 1 18 SER HA 1 18 SER HB2 2.400 . 3.100 2.916 2.802 3.021 . 0 0 "[ . 1 . 2]" 1
439 1 18 SER HA 1 18 SER HB3 2.200 . 2.800 2.272 2.244 2.365 . 0 0 "[ . 1 . 2]" 1
440 1 18 SER HA 1 19 ARG H 2.900 . 4.000 3.349 3.295 3.398 . 0 0 "[ . 1 . 2]" 1
441 1 18 SER HB2 1 19 ARG H 3.400 . 4.900 3.493 3.294 3.687 . 0 0 "[ . 1 . 2]" 1
442 1 19 ARG H 1 19 ARG HA 2.800 . 3.800 2.956 2.952 2.960 . 0 0 "[ . 1 . 2]" 1
443 1 19 ARG H 1 19 ARG HB2 3.200 . 4.400 2.467 2.404 2.533 . 0 0 "[ . 1 . 2]" 1
444 1 19 ARG H 1 19 ARG HB3 2.800 . 3.800 3.543 3.421 3.710 . 0 0 "[ . 1 . 2]" 1
445 1 19 ARG H 1 19 ARG HD3 4.300 . 6.300 5.035 4.520 5.972 . 0 0 "[ . 1 . 2]" 1
446 1 19 ARG H 1 19 ARG HG2 3.500 . 5.100 4.302 3.459 4.707 . 0 0 "[ . 1 . 2]" 1
447 1 19 ARG H 1 19 ARG HG3 3.600 . 5.200 3.818 3.363 4.216 . 0 0 "[ . 1 . 2]" 1
448 1 19 ARG HA 1 19 ARG HB2 2.800 . 3.800 2.967 2.927 3.013 . 0 0 "[ . 1 . 2]" 1
449 1 19 ARG HA 1 19 ARG HB3 2.900 . 4.000 2.695 2.545 2.781 . 0 0 "[ . 1 . 2]" 1
450 1 19 ARG HA 1 19 ARG HE 3.600 . 5.200 4.515 3.917 4.907 . 0 0 "[ . 1 . 2]" 1
451 1 19 ARG HA 1 19 ARG HG2 2.600 . 3.400 2.433 2.168 2.669 . 0 0 "[ . 1 . 2]" 1
452 1 19 ARG HA 1 19 ARG HG3 2.800 . 3.800 2.897 2.394 3.662 . 0 0 "[ . 1 . 2]" 1
453 1 19 ARG HA 1 20 SER H 2.100 . 2.600 2.011 1.987 2.049 . 0 0 "[ . 1 . 2]" 1
454 1 19 ARG HA 1 20 SER HA 3.000 . 6.000 4.228 4.181 4.261 . 0 0 "[ . 1 . 2]" 1
455 1 19 ARG HA 1 20 SER HB2 3.500 . 5.100 5.409 5.370 5.476 0.376 16 0 "[ . 1 . 2]" 1
456 1 19 ARG HA 1 20 SER HB3 3.100 . 4.300 4.426 4.297 4.494 0.194 11 0 "[ . 1 . 2]" 1
457 1 19 ARG HA 1 21 ASP H 3.100 . 4.300 3.882 3.660 4.115 . 0 0 "[ . 1 . 2]" 1
458 1 19 ARG HA 1 22 HIS H 3.900 . 5.800 4.304 4.168 4.412 . 0 0 "[ . 1 . 2]" 1
459 1 19 ARG HB2 1 19 ARG HD2 3.100 . 4.300 3.681 3.545 3.870 . 0 0 "[ . 1 . 2]" 1
460 1 19 ARG HB2 1 19 ARG HD3 3.200 . 4.500 2.910 2.284 4.181 . 0 0 "[ . 1 . 2]" 1
461 1 19 ARG HB2 1 19 ARG HE 2.500 . 3.300 3.163 2.845 3.438 0.138 18 0 "[ . 1 . 2]" 1
462 1 19 ARG HB2 1 19 ARG HG2 2.800 . 3.800 2.939 2.614 3.010 . 0 0 "[ . 1 . 2]" 1
463 1 19 ARG HB2 1 20 SER H 3.400 . 4.900 4.259 4.068 4.333 . 0 0 "[ . 1 . 2]" 1
464 1 19 ARG HB2 1 21 ASP H 2.600 . 6.000 4.442 4.220 4.650 . 0 0 "[ . 1 . 2]" 1
465 1 19 ARG HB2 1 22 HIS H 2.500 . 3.300 3.223 2.981 3.356 0.056 16 0 "[ . 1 . 2]" 1
466 1 19 ARG HB2 1 22 HIS HD2 3.500 . 5.100 3.734 3.299 4.166 . 0 0 "[ . 1 . 2]" 1
467 1 19 ARG HB3 1 19 ARG HD2 3.000 . 4.200 3.415 2.515 3.824 . 0 0 "[ . 1 . 2]" 1
468 1 19 ARG HB3 1 19 ARG HD3 2.800 . 3.800 3.201 2.899 3.562 . 0 0 "[ . 1 . 2]" 1
469 1 19 ARG HB3 1 19 ARG HE 2.800 . 3.800 2.196 1.769 2.519 0.031 7 0 "[ . 1 . 2]" 1
470 1 19 ARG HB3 1 19 ARG HG2 2.800 . 3.800 2.543 2.331 2.967 . 0 0 "[ . 1 . 2]" 1
471 1 19 ARG HB3 1 19 ARG HG3 2.900 . 4.000 2.938 2.602 3.010 . 0 0 "[ . 1 . 2]" 1
472 1 19 ARG HB3 1 19 ARG QH2 4.600 . 6.300 3.975 3.508 4.313 . 0 0 "[ . 1 . 2]" 1
473 1 19 ARG HB3 1 21 ASP H 3.100 . 4.300 2.819 2.679 2.964 . 0 0 "[ . 1 . 2]" 1
474 1 19 ARG HB3 1 22 HIS H 2.600 . 3.400 2.322 2.000 2.760 . 0 0 "[ . 1 . 2]" 1
475 1 19 ARG HB3 1 22 HIS HB2 3.100 . 4.300 2.920 2.453 3.593 . 0 0 "[ . 1 . 2]" 1
476 1 19 ARG HB3 1 22 HIS HD2 3.400 . 4.800 3.465 2.980 3.850 . 0 0 "[ . 1 . 2]" 1
477 1 19 ARG HD2 1 19 ARG HE 2.600 . 3.400 2.785 2.342 2.957 . 0 0 "[ . 1 . 2]" 1
478 1 19 ARG HD2 1 19 ARG HG2 2.400 . 3.100 2.441 2.307 2.569 . 0 0 "[ . 1 . 2]" 1
479 1 19 ARG HD2 1 19 ARG HG3 2.400 . 3.100 2.588 2.330 3.013 . 0 0 "[ . 1 . 2]" 1
480 1 19 ARG HD2 1 19 ARG QH2 3.300 . 4.600 4.056 3.978 4.217 . 0 0 "[ . 1 . 2]" 1
481 1 19 ARG HD2 1 22 HIS HD2 4.200 . 6.300 5.183 4.515 6.024 . 0 0 "[ . 1 . 2]" 1
482 1 19 ARG HD3 1 19 ARG HE 2.500 . 3.300 2.646 2.289 2.957 . 0 0 "[ . 1 . 2]" 1
483 1 19 ARG HD3 1 19 ARG HG2 2.500 . 3.300 2.859 2.412 3.017 . 0 0 "[ . 1 . 2]" 1
484 1 19 ARG HD3 1 19 ARG HG3 2.500 . 3.300 2.441 2.313 2.564 . 0 0 "[ . 1 . 2]" 1
485 1 19 ARG HD3 1 19 ARG QH2 3.000 . 4.100 4.105 3.980 4.234 0.134 8 0 "[ . 1 . 2]" 1
486 1 19 ARG HD3 1 20 SER H 4.200 . 6.300 4.317 4.046 4.884 . 0 0 "[ . 1 . 2]" 1
487 1 19 ARG HE 1 19 ARG HG2 2.900 . 3.900 3.162 2.518 3.787 . 0 0 "[ . 1 . 2]" 1
488 1 19 ARG HE 1 19 ARG HG3 3.100 . 4.300 3.568 2.532 3.967 . 0 0 "[ . 1 . 2]" 1
489 1 19 ARG HE 1 20 SER H 3.700 . 5.400 4.938 4.196 5.406 0.006 17 0 "[ . 1 . 2]" 1
490 1 19 ARG HE 1 21 ASP H 3.400 . 4.900 3.766 3.318 4.180 . 0 0 "[ . 1 . 2]" 1
491 1 19 ARG HE 1 22 HIS H 3.400 . 4.800 3.535 3.173 4.133 . 0 0 "[ . 1 . 2]" 1
492 1 19 ARG HE 1 22 HIS HD2 2.700 . 3.600 2.823 2.085 3.683 0.083 18 0 "[ . 1 . 2]" 1
493 1 19 ARG HG2 1 19 ARG QH2 4.600 . 6.300 4.695 4.195 5.446 . 0 0 "[ . 1 . 2]" 1
494 1 19 ARG HG2 1 20 SER H 3.100 . 4.300 3.631 3.329 4.314 0.014 18 0 "[ . 1 . 2]" 1
495 1 19 ARG HG2 1 21 ASP H 3.700 . 5.400 4.287 3.476 5.423 0.023 18 0 "[ . 1 . 2]" 1
496 1 19 ARG HG2 1 22 HIS H 3.600 . 5.200 4.746 4.214 5.336 0.136 1 0 "[ . 1 . 2]" 1
497 1 19 ARG HG2 1 22 HIS HD2 3.500 . 6.000 5.375 4.785 6.040 0.040 2 0 "[ . 1 . 2]" 1
498 1 19 ARG HG3 1 19 ARG QH2 4.700 . 6.300 5.129 4.383 5.448 . 0 0 "[ . 1 . 2]" 1
499 1 19 ARG HG3 1 20 SER H 3.500 . 5.000 4.565 4.067 5.103 0.103 1 0 "[ . 1 . 2]" 1
500 1 19 ARG HG3 1 22 HIS HD2 3.600 . 5.200 5.280 4.300 5.955 0.755 12 5 "[ -.* 1*+ .* 2]" 1
501 1 19 ARG HH21 1 22 HIS H 4.200 . 6.300 4.627 4.145 5.006 . 0 0 "[ . 1 . 2]" 1
502 1 19 ARG HH21 1 22 HIS HD2 3.500 . 5.100 3.150 2.230 4.447 . 0 0 "[ . 1 . 2]" 1
503 1 20 SER H 1 20 SER HA 2.500 . 3.300 2.776 2.757 2.788 . 0 0 "[ . 1 . 2]" 1
504 1 20 SER H 1 20 SER HB2 2.500 . 3.300 3.417 3.376 3.460 0.160 10 0 "[ . 1 . 2]" 1
505 1 20 SER H 1 20 SER HB3 2.500 . 3.300 2.587 2.402 2.665 . 0 0 "[ . 1 . 2]" 1
506 1 20 SER H 1 21 ASP H 2.500 . 3.300 2.647 2.559 2.729 . 0 0 "[ . 1 . 2]" 1
507 1 20 SER H 1 22 HIS H 4.100 . 6.200 4.028 3.922 4.109 . 0 0 "[ . 1 . 2]" 1
508 1 20 SER HA 1 20 SER HB2 2.100 . 2.700 2.553 2.439 2.612 . 0 0 "[ . 1 . 2]" 1
509 1 20 SER HA 1 21 ASP H 3.000 . 4.100 3.519 3.488 3.550 . 0 0 "[ . 1 . 2]" 1
510 1 20 SER HA 1 23 LEU HB3 3.000 . 4.100 2.763 2.497 2.951 . 0 0 "[ . 1 . 2]" 1
511 1 20 SER HA 1 23 LEU MD2 3.100 . 4.300 3.387 2.958 3.600 . 0 0 "[ . 1 . 2]" 1
512 1 20 SER HA 1 24 ALA H 3.200 . 4.400 4.006 3.820 4.169 . 0 0 "[ . 1 . 2]" 1
513 1 20 SER HB2 1 21 ASP H 3.100 . 4.300 3.462 3.290 3.680 . 0 0 "[ . 1 . 2]" 1
514 1 20 SER HB3 1 21 ASP H 3.200 . 4.500 3.951 3.858 4.028 . 0 0 "[ . 1 . 2]" 1
515 1 20 SER HB3 1 24 ALA H 4.300 . 6.300 5.922 5.721 6.078 . 0 0 "[ . 1 . 2]" 1
516 1 21 ASP H 1 21 ASP HA 2.400 . 3.100 2.820 2.791 2.852 . 0 0 "[ . 1 . 2]" 1
517 1 21 ASP H 1 21 ASP HB2 2.400 . 3.100 3.070 2.279 3.548 0.448 1 0 "[ . 1 . 2]" 1
518 1 21 ASP H 1 21 ASP HB3 2.500 . 3.300 2.130 1.982 2.813 . 0 0 "[ . 1 . 2]" 1
519 1 21 ASP H 1 22 HIS H 2.500 . 3.300 2.609 2.485 2.684 . 0 0 "[ . 1 . 2]" 1
520 1 21 ASP H 1 22 HIS HB2 4.000 . 6.000 4.561 4.455 4.717 . 0 0 "[ . 1 . 2]" 1
521 1 21 ASP H 1 22 HIS HD2 3.900 . 5.800 4.846 4.557 5.149 . 0 0 "[ . 1 . 2]" 1
522 1 21 ASP H 1 23 LEU H 3.500 . 5.000 4.148 4.016 4.278 . 0 0 "[ . 1 . 2]" 1
523 1 21 ASP H 1 24 ALA H 3.900 . 5.800 4.648 4.596 4.702 . 0 0 "[ . 1 . 2]" 1
524 1 21 ASP H 1 24 ALA MB 3.200 . 4.500 4.512 4.435 4.557 0.057 8 0 "[ . 1 . 2]" 1
525 1 21 ASP HA 1 21 ASP HB3 2.300 . 3.000 2.900 2.449 3.001 0.001 20 0 "[ . 1 . 2]" 1
526 1 21 ASP HA 1 24 ALA H 2.600 . 3.400 3.433 3.352 3.489 0.089 6 0 "[ . 1 . 2]" 1
527 1 21 ASP HA 1 24 ALA MB 2.200 . 2.800 2.498 2.307 2.678 . 0 0 "[ . 1 . 2]" 1
528 1 21 ASP HB2 1 22 HIS H 3.100 . 4.300 4.186 3.720 4.302 0.002 19 0 "[ . 1 . 2]" 1
529 1 21 ASP HB2 1 22 HIS HD2 3.800 . 5.600 4.873 3.994 5.147 . 0 0 "[ . 1 . 2]" 1
530 1 21 ASP HB2 1 24 ALA MB 3.600 . 5.200 4.379 4.163 4.767 . 0 0 "[ . 1 . 2]" 1
531 1 21 ASP HB3 1 22 HIS H 3.000 . 4.100 3.163 2.782 4.030 . 0 0 "[ . 1 . 2]" 1
532 1 21 ASP HB3 1 22 HIS HD2 2.900 . 3.900 3.915 2.796 4.794 0.894 1 1 "[+ . 1 . 2]" 1
533 1 21 ASP HB3 1 24 ALA H 4.700 . 6.300 5.662 5.459 5.738 . 0 0 "[ . 1 . 2]" 1
534 1 21 ASP HB3 1 24 ALA MB 2.700 . 6.000 5.001 4.540 5.108 . 0 0 "[ . 1 . 2]" 1
535 1 22 HIS H 1 22 HIS HA 2.400 . 3.100 2.860 2.842 2.881 . 0 0 "[ . 1 . 2]" 1
536 1 22 HIS H 1 22 HIS HB2 2.400 . 3.100 2.197 2.147 2.272 . 0 0 "[ . 1 . 2]" 1
537 1 22 HIS H 1 22 HIS HB3 2.400 . 6.000 3.494 3.454 3.552 . 0 0 "[ . 1 . 2]" 1
538 1 22 HIS H 1 22 HIS HD2 2.700 . 3.600 3.067 2.841 3.231 . 0 0 "[ . 1 . 2]" 1
539 1 22 HIS H 1 23 LEU H 2.400 . 3.100 2.514 2.436 2.590 . 0 0 "[ . 1 . 2]" 1
540 1 22 HIS H 1 23 LEU HA 3.800 . 5.600 5.156 5.095 5.220 . 0 0 "[ . 1 . 2]" 1
541 1 22 HIS H 1 23 LEU MD1 5.100 . 6.300 6.257 6.165 6.312 0.012 20 0 "[ . 1 . 2]" 1
542 1 22 HIS H 1 24 ALA H 3.400 . 4.800 3.956 3.874 4.034 . 0 0 "[ . 1 . 2]" 1
543 1 22 HIS H 1 24 ALA MB 3.300 . 4.700 4.630 4.511 4.713 0.013 7 0 "[ . 1 . 2]" 1
544 1 22 HIS H 1 25 LEU QB 3.800 . 5.600 4.554 4.417 4.687 . 0 0 "[ . 1 . 2]" 1
545 1 22 HIS H 1 25 LEU QD 4.500 . 6.300 4.498 4.197 4.964 . 0 0 "[ . 1 . 2]" 1
546 1 22 HIS HA 1 22 HIS HB2 2.600 . 3.400 2.967 2.946 2.999 . 0 0 "[ . 1 . 2]" 1
547 1 22 HIS HA 1 22 HIS HB3 2.300 . 3.000 2.676 2.607 2.713 . 0 0 "[ . 1 . 2]" 1
548 1 22 HIS HA 1 22 HIS HD2 2.200 . 2.800 2.786 2.631 2.905 0.105 3 0 "[ . 1 . 2]" 1
549 1 22 HIS HA 1 23 LEU H 2.800 . 3.800 3.531 3.514 3.549 . 0 0 "[ . 1 . 2]" 1
550 1 22 HIS HA 1 25 LEU H 2.600 . 3.400 3.315 3.202 3.416 0.016 19 0 "[ . 1 . 2]" 1
551 1 22 HIS HA 1 25 LEU QB 2.900 . 3.300 2.355 2.194 2.475 . 0 0 "[ . 1 . 2]" 1
552 1 22 HIS HA 1 26 HIS HB2 3.900 . 5.800 5.548 5.328 5.746 . 0 0 "[ . 1 . 2]" 1
553 1 22 HIS HB2 1 22 HIS HD2 3.100 . 4.300 3.276 3.165 3.361 . 0 0 "[ . 1 . 2]" 1
554 1 22 HIS HB2 1 23 LEU H 2.600 . 3.500 2.851 2.648 2.963 . 0 0 "[ . 1 . 2]" 1
555 1 22 HIS HB2 1 24 ALA H 3.700 . 5.400 5.163 5.037 5.239 . 0 0 "[ . 1 . 2]" 1
556 1 22 HIS HB2 1 25 LEU H 3.700 . 5.400 5.457 5.424 5.503 0.103 1 0 "[ . 1 . 2]" 1
557 1 22 HIS HB3 1 23 LEU H 2.500 . 3.300 3.304 3.197 3.354 0.054 4 0 "[ . 1 . 2]" 1
558 1 22 HIS HD2 1 25 LEU H 3.600 . 6.000 5.718 5.523 5.886 . 0 0 "[ . 1 . 2]" 1
559 1 22 HIS HD2 1 25 LEU QB 3.400 . 4.800 4.486 4.151 4.646 . 0 0 "[ . 1 . 2]" 1
560 1 22 HIS HD2 1 25 LEU QD 2.700 . 3.600 3.461 2.914 3.653 0.053 13 0 "[ . 1 . 2]" 1
561 1 23 LEU H 1 23 LEU HA 2.500 . 3.300 2.829 2.818 2.840 . 0 0 "[ . 1 . 2]" 1
562 1 23 LEU H 1 23 LEU HB2 2.300 . 3.000 2.646 2.595 2.718 . 0 0 "[ . 1 . 2]" 1
563 1 23 LEU H 1 23 LEU HB3 2.300 . 3.000 2.426 2.382 2.494 . 0 0 "[ . 1 . 2]" 1
564 1 23 LEU H 1 23 LEU MD1 3.000 . 4.100 4.147 4.095 4.199 0.099 12 0 "[ . 1 . 2]" 1
565 1 23 LEU H 1 23 LEU MD2 2.800 . 6.000 4.204 4.130 4.260 . 0 0 "[ . 1 . 2]" 1
566 1 23 LEU H 1 23 LEU HG 2.900 . 6.000 4.400 4.368 4.448 . 0 0 "[ . 1 . 2]" 1
567 1 23 LEU H 1 24 ALA H 2.400 . 3.100 2.602 2.556 2.641 . 0 0 "[ . 1 . 2]" 1
568 1 23 LEU H 1 24 ALA HA 3.600 . 5.200 5.222 5.181 5.247 0.047 13 0 "[ . 1 . 2]" 1
569 1 23 LEU H 1 25 LEU H 3.200 . 4.400 3.903 3.808 3.982 . 0 0 "[ . 1 . 2]" 1
570 1 23 LEU H 1 26 HIS HB2 3.900 . 6.000 5.979 5.764 6.045 0.045 3 0 "[ . 1 . 2]" 1
571 1 23 LEU HA 1 23 LEU HB2 2.300 . 3.000 2.414 2.390 2.442 . 0 0 "[ . 1 . 2]" 1
572 1 23 LEU HA 1 23 LEU HB3 2.600 . 3.400 3.017 3.008 3.024 . 0 0 "[ . 1 . 2]" 1
573 1 23 LEU HA 1 23 LEU MD1 2.300 . 3.000 2.266 2.069 2.473 . 0 0 "[ . 1 . 2]" 1
574 1 23 LEU HA 1 23 LEU MD2 3.300 . 4.600 3.939 3.912 3.955 . 0 0 "[ . 1 . 2]" 1
575 1 23 LEU HA 1 23 LEU HG 2.700 . 3.600 3.044 3.006 3.117 . 0 0 "[ . 1 . 2]" 1
576 1 23 LEU HA 1 24 ALA H 2.900 . 4.000 3.539 3.530 3.550 . 0 0 "[ . 1 . 2]" 1
577 1 23 LEU HA 1 26 HIS H 2.700 . 3.600 3.351 3.210 3.469 . 0 0 "[ . 1 . 2]" 1
578 1 23 LEU HA 1 26 HIS HA 3.600 . 6.000 5.424 5.292 5.540 . 0 0 "[ . 1 . 2]" 1
579 1 23 LEU HA 1 26 HIS HB3 2.700 . 3.600 2.658 2.551 2.745 . 0 0 "[ . 1 . 2]" 1
580 1 23 LEU HA 1 26 HIS HD2 3.300 . 4.600 4.262 4.069 4.432 . 0 0 "[ . 1 . 2]" 1
581 1 23 LEU HA 1 27 ARG H 3.400 . 4.800 3.997 3.855 4.162 . 0 0 "[ . 1 . 2]" 1
582 1 23 LEU HB2 1 23 LEU MD1 2.400 . 3.100 2.212 2.078 2.331 . 0 0 "[ . 1 . 2]" 1
583 1 23 LEU HB2 1 23 LEU MD2 2.300 . 3.000 2.530 2.432 2.587 . 0 0 "[ . 1 . 2]" 1
584 1 23 LEU HB2 1 23 LEU HG 2.700 . 3.600 3.009 2.995 3.017 . 0 0 "[ . 1 . 2]" 1
585 1 23 LEU HB2 1 26 HIS HD2 4.700 . 6.300 5.860 5.687 5.981 . 0 0 "[ . 1 . 2]" 1
586 1 23 LEU HB3 1 23 LEU MD1 2.600 . 3.400 3.163 3.131 3.184 . 0 0 "[ . 1 . 2]" 1
587 1 23 LEU HB3 1 23 LEU MD2 2.300 . 2.900 2.164 2.080 2.271 . 0 0 "[ . 1 . 2]" 1
588 1 23 LEU HB3 1 23 LEU HG 2.300 . 3.000 2.559 2.532 2.589 . 0 0 "[ . 1 . 2]" 1
589 1 23 LEU HB3 1 24 ALA H 2.700 . 6.000 2.557 2.492 2.685 . 0 0 "[ . 1 . 2]" 1
590 1 23 LEU HB3 1 24 ALA HA 3.800 . 5.600 4.348 4.277 4.424 . 0 0 "[ . 1 . 2]" 1
591 1 23 LEU HB3 1 25 LEU H 4.400 . 6.300 4.869 4.770 4.949 . 0 0 "[ . 1 . 2]" 1
592 1 23 LEU MD1 1 23 LEU MD2 2.300 . 2.900 2.017 1.883 2.091 . 0 0 "[ . 1 . 2]" 1
593 1 23 LEU MD1 1 23 LEU HG 2.400 . 3.100 2.097 2.074 2.121 . 0 0 "[ . 1 . 2]" 1
594 1 23 LEU MD1 1 24 ALA H 3.600 . 5.200 4.526 4.450 4.595 . 0 0 "[ . 1 . 2]" 1
595 1 23 LEU MD1 1 26 HIS H 3.200 . 4.500 4.540 4.498 4.576 0.076 10 0 "[ . 1 . 2]" 1
596 1 23 LEU MD1 1 26 HIS HB2 2.900 . 6.000 4.573 4.450 4.687 . 0 0 "[ . 1 . 2]" 1
597 1 23 LEU MD1 1 26 HIS HD2 2.300 . 2.900 2.885 2.688 2.940 0.040 4 0 "[ . 1 . 2]" 1
598 1 23 LEU MD1 1 27 ARG H 3.300 . 4.600 3.983 3.789 4.207 . 0 0 "[ . 1 . 2]" 1
599 1 23 LEU MD1 1 27 ARG HB2 3.600 . 5.200 4.166 3.955 4.359 . 0 0 "[ . 1 . 2]" 1
600 1 23 LEU MD1 1 27 ARG HD2 2.900 . 4.000 2.842 2.482 3.155 . 0 0 "[ . 1 . 2]" 1
601 1 23 LEU MD1 1 27 ARG HD3 2.500 . 3.300 2.843 2.584 3.223 . 0 0 "[ . 1 . 2]" 1
602 1 23 LEU MD1 1 27 ARG HG2 3.400 . 4.800 2.870 2.583 3.084 . 0 0 "[ . 1 . 2]" 1
603 1 23 LEU MD1 1 30 HIS HD2 3.700 . 5.400 4.637 4.221 4.910 . 0 0 "[ . 1 . 2]" 1
604 1 23 LEU MD2 1 23 LEU HG 2.300 . 2.900 2.103 2.079 2.126 . 0 0 "[ . 1 . 2]" 1
605 1 23 LEU MD2 1 24 ALA H 3.200 . 4.500 4.005 3.914 4.088 . 0 0 "[ . 1 . 2]" 1
606 1 23 LEU MD2 1 24 ALA HA 4.100 . 6.200 4.424 4.306 4.534 . 0 0 "[ . 1 . 2]" 1
607 1 23 LEU MD2 1 26 HIS HD2 3.700 . 5.400 5.377 5.235 5.447 0.047 15 0 "[ . 1 . 2]" 1
608 1 23 LEU MD2 1 27 ARG H 4.800 . 6.300 5.288 5.030 5.574 . 0 0 "[ . 1 . 2]" 1
609 1 23 LEU MD2 1 27 ARG HD2 3.300 . 4.600 4.072 3.722 4.429 . 0 0 "[ . 1 . 2]" 1
610 1 23 LEU MD2 1 27 ARG HD3 2.700 . 3.600 3.021 2.747 3.373 . 0 0 "[ . 1 . 2]" 1
611 1 23 LEU MD2 1 27 ARG HE 5.700 . 6.300 5.166 4.989 5.448 . 0 0 "[ . 1 . 2]" 1
612 1 23 LEU MD2 1 27 ARG HG2 3.300 . 4.700 4.646 4.460 4.963 0.263 4 0 "[ . 1 . 2]" 1
613 1 23 LEU HG 1 24 ALA H 2.700 . 3.600 3.617 3.547 3.667 0.067 8 0 "[ . 1 . 2]" 1
614 1 23 LEU HG 1 24 ALA HA 3.000 . 4.100 3.562 3.477 3.632 . 0 0 "[ . 1 . 2]" 1
615 1 23 LEU HG 1 26 HIS HD2 3.900 . 5.800 4.617 4.467 4.703 . 0 0 "[ . 1 . 2]" 1
616 1 23 LEU HG 1 27 ARG H 3.400 . 4.900 3.902 3.615 4.234 . 0 0 "[ . 1 . 2]" 1
617 1 23 LEU HG 1 27 ARG HD3 2.400 . 3.100 3.116 2.949 3.206 0.106 8 0 "[ . 1 . 2]" 1
618 1 23 LEU HG 1 27 ARG HE 4.800 . 6.300 5.490 5.292 5.742 . 0 0 "[ . 1 . 2]" 1
619 1 23 LEU HG 1 27 ARG HG2 3.000 . 4.100 3.679 3.487 4.002 . 0 0 "[ . 1 . 2]" 1
620 1 24 ALA H 1 24 ALA HA 2.300 . 3.000 2.817 2.801 2.829 . 0 0 "[ . 1 . 2]" 1
621 1 24 ALA H 1 24 ALA MB 2.000 . 2.500 2.086 2.016 2.219 . 0 0 "[ . 1 . 2]" 1
622 1 24 ALA H 1 25 LEU H 2.400 . 3.100 2.610 2.541 2.697 . 0 0 "[ . 1 . 2]" 1
623 1 24 ALA H 1 25 LEU QB 4.300 . 6.300 4.296 4.216 4.396 . 0 0 "[ . 1 . 2]" 1
624 1 24 ALA HA 1 24 ALA MB 2.000 . 2.500 2.099 2.081 2.128 . 0 0 "[ . 1 . 2]" 1
625 1 24 ALA HA 1 25 LEU H 3.300 . 4.700 3.506 3.458 3.536 . 0 0 "[ . 1 . 2]" 1
626 1 24 ALA HA 1 27 ARG HB2 3.300 . 4.700 2.740 2.536 3.104 . 0 0 "[ . 1 . 2]" 1
627 1 24 ALA HA 1 27 ARG HB3 3.200 . 6.000 4.455 4.150 4.855 . 0 0 "[ . 1 . 2]" 1
628 1 24 ALA HA 1 27 ARG HD3 3.000 . 6.000 5.174 4.837 5.380 . 0 0 "[ . 1 . 2]" 1
629 1 24 ALA HA 1 27 ARG HG2 3.500 . 5.000 5.022 4.923 5.096 0.096 1 0 "[ . 1 . 2]" 1
630 1 24 ALA HA 1 27 ARG HG3 3.400 . 4.900 3.750 3.524 3.872 . 0 0 "[ . 1 . 2]" 1
631 1 24 ALA MB 1 25 LEU H 2.200 . 2.800 2.763 2.695 2.849 0.049 15 0 "[ . 1 . 2]" 1
632 1 24 ALA MB 1 27 ARG H 3.700 . 5.400 4.514 4.389 4.648 . 0 0 "[ . 1 . 2]" 1
633 1 24 ALA MB 1 27 ARG HD3 4.100 . 6.200 6.090 5.809 6.220 0.020 3 0 "[ . 1 . 2]" 1
634 1 25 LEU H 1 25 LEU MD1 2.600 . 3.500 3.248 2.708 3.593 0.093 11 0 "[ . 1 . 2]" 1
635 1 25 LEU H 1 25 LEU HA 2.300 . 3.000 2.559 2.530 2.575 . 0 0 "[ . 1 . 2]" 1
636 1 25 LEU H 1 25 LEU QB 2.000 . 2.500 2.069 2.024 2.202 . 0 0 "[ . 1 . 2]" 1
637 1 25 LEU HA 1 25 LEU QB 2.300 . 3.000 2.487 2.154 2.539 . 0 0 "[ . 1 . 2]" 1
638 1 25 LEU QD 1 28 LYS H 5.200 . 6.300 5.214 4.796 5.672 . 0 0 "[ . 1 . 2]" 1
639 1 26 HIS H 1 26 HIS HB2 2.200 . 6.000 2.921 2.788 3.018 . 0 0 "[ . 1 . 2]" 1
640 1 26 HIS H 1 26 HIS HB3 2.300 . 2.900 2.332 2.292 2.375 . 0 0 "[ . 1 . 2]" 1
641 1 26 HIS H 1 27 ARG H 6.000 . 6.300 2.312 2.168 2.461 . 0 0 "[ . 1 . 2]" 1
642 1 26 HIS H 1 27 ARG HA 4.200 . 6.300 4.972 4.860 5.109 . 0 0 "[ . 1 . 2]" 1
643 1 26 HIS H 1 27 ARG HB2 4.100 . 6.200 4.552 4.313 4.767 . 0 0 "[ . 1 . 2]" 1
644 1 26 HIS H 1 27 ARG HB3 3.200 . 6.000 5.894 5.719 6.055 0.055 4 0 "[ . 1 . 2]" 1
645 1 26 HIS H 1 27 ARG HG2 4.300 . 6.300 4.790 4.631 5.009 . 0 0 "[ . 1 . 2]" 1
646 1 26 HIS H 1 27 ARG HG3 4.300 . 6.300 4.457 4.336 4.796 . 0 0 "[ . 1 . 2]" 1
647 1 26 HIS HA 1 26 HIS HB2 2.600 . 3.400 2.380 2.366 2.403 . 0 0 "[ . 1 . 2]" 1
648 1 26 HIS HA 1 26 HIS HB3 2.200 . 6.000 3.020 3.016 3.024 . 0 0 "[ . 1 . 2]" 1
649 1 26 HIS HA 1 26 HIS HD2 3.600 . 5.200 4.612 4.563 4.692 . 0 0 "[ . 1 . 2]" 1
650 1 26 HIS HA 1 30 HIS HD2 4.000 . 6.000 5.456 5.317 5.581 . 0 0 "[ . 1 . 2]" 1
651 1 26 HIS HB2 1 27 ARG H 2.500 . 6.000 4.010 3.899 4.186 . 0 0 "[ . 1 . 2]" 1
652 1 26 HIS HB2 1 28 LYS H 3.800 . 5.600 5.508 5.385 5.665 0.065 10 0 "[ . 1 . 2]" 1
653 1 26 HIS HB3 1 27 ARG H 6.000 . 6.300 2.699 2.522 2.987 . 0 0 "[ . 1 . 2]" 1
654 1 26 HIS HD2 1 27 ARG HA 2.700 . 6.000 3.664 3.400 3.885 . 0 0 "[ . 1 . 2]" 1
655 1 26 HIS HD2 1 27 ARG HB2 3.800 . 5.600 4.801 4.597 5.062 . 0 0 "[ . 1 . 2]" 1
656 1 26 HIS HD2 1 27 ARG HD3 2.900 . 6.000 4.646 4.496 4.864 . 0 0 "[ . 1 . 2]" 1
657 1 26 HIS HD2 1 27 ARG HE 3.500 . 5.000 4.866 4.468 5.059 0.059 1 0 "[ . 1 . 2]" 1
658 1 26 HIS HD2 1 27 ARG HG2 2.800 . 3.800 2.164 2.028 2.357 . 0 0 "[ . 1 . 2]" 1
659 1 26 HIS HD2 1 27 ARG HG3 3.000 . 4.100 3.296 3.101 3.547 . 0 0 "[ . 1 . 2]" 1
660 1 26 HIS HD2 1 30 HIS HD2 2.600 . 6.000 3.320 2.933 3.596 . 0 0 "[ . 1 . 2]" 1
661 1 27 ARG H 1 27 ARG HA 2.500 . 3.300 2.873 2.838 2.909 . 0 0 "[ . 1 . 2]" 1
662 1 27 ARG H 1 27 ARG HB2 2.600 . 3.400 2.478 2.358 2.612 . 0 0 "[ . 1 . 2]" 1
663 1 27 ARG H 1 27 ARG HB3 2.400 . 6.000 3.612 3.559 3.671 . 0 0 "[ . 1 . 2]" 1
664 1 27 ARG H 1 27 ARG HD3 2.900 . 6.000 4.853 4.693 5.044 . 0 0 "[ . 1 . 2]" 1
665 1 27 ARG H 1 27 ARG HE 3.200 . 6.000 5.126 4.835 5.461 . 0 0 "[ . 1 . 2]" 1
666 1 27 ARG H 1 27 ARG HG2 2.800 . 3.800 2.899 2.696 3.113 . 0 0 "[ . 1 . 2]" 1
667 1 27 ARG H 1 27 ARG HG3 2.800 . 3.800 2.776 2.566 3.024 . 0 0 "[ . 1 . 2]" 1
668 1 27 ARG H 1 28 LYS H 2.300 . 3.000 2.654 2.484 2.792 . 0 0 "[ . 1 . 2]" 1
669 1 27 ARG H 1 29 ARG H 3.800 . 5.600 4.652 4.354 5.023 . 0 0 "[ . 1 . 2]" 1
670 1 27 ARG H 1 30 HIS H 4.300 . 6.300 5.303 4.976 5.619 . 0 0 "[ . 1 . 2]" 1
671 1 27 ARG H 1 30 HIS HD2 3.700 . 5.400 4.484 4.344 4.732 . 0 0 "[ . 1 . 2]" 1
672 1 27 ARG HA 1 27 ARG HB2 2.400 . 3.100 3.018 3.012 3.022 . 0 0 "[ . 1 . 2]" 1
673 1 27 ARG HA 1 27 ARG HB3 2.700 . 3.600 2.467 2.408 2.524 . 0 0 "[ . 1 . 2]" 1
674 1 27 ARG HA 1 27 ARG HD3 2.900 . 6.000 4.632 4.529 4.743 . 0 0 "[ . 1 . 2]" 1
675 1 27 ARG HA 1 27 ARG HE 3.300 . 4.700 3.242 2.844 3.712 . 0 0 "[ . 1 . 2]" 1
676 1 27 ARG HA 1 27 ARG HG2 2.700 . 3.600 2.388 2.303 2.508 . 0 0 "[ . 1 . 2]" 1
677 1 27 ARG HA 1 27 ARG HG3 2.800 . 3.800 3.562 3.458 3.636 . 0 0 "[ . 1 . 2]" 1
678 1 27 ARG HA 1 28 LYS H 3.200 . 4.500 3.226 3.046 3.364 . 0 0 "[ . 1 . 2]" 1
679 1 27 ARG HA 1 29 ARG H 3.300 . 4.600 3.637 3.353 3.844 . 0 0 "[ . 1 . 2]" 1
680 1 27 ARG HA 1 30 HIS H 3.200 . 4.500 3.157 2.876 3.543 . 0 0 "[ . 1 . 2]" 1
681 1 27 ARG HA 1 30 HIS HB3 3.800 . 5.600 4.060 3.796 4.389 . 0 0 "[ . 1 . 2]" 1
682 1 27 ARG HA 1 30 HIS HD2 2.100 . 2.700 2.163 1.972 2.387 . 0 0 "[ . 1 . 2]" 1
683 1 27 ARG HB2 1 27 ARG HD3 2.400 . 6.000 3.309 3.127 3.423 . 0 0 "[ . 1 . 2]" 1
684 1 27 ARG HB2 1 27 ARG HE 2.700 . 3.600 3.655 3.355 4.082 0.482 5 0 "[ . 1 . 2]" 1
685 1 27 ARG HB2 1 27 ARG HG2 2.200 . 6.000 2.902 2.857 2.921 . 0 0 "[ . 1 . 2]" 1
686 1 27 ARG HB2 1 28 LYS H 3.300 . 4.700 3.663 3.393 3.951 . 0 0 "[ . 1 . 2]" 1
687 1 27 ARG HB2 1 28 LYS HA 3.400 . 4.900 4.591 4.416 4.763 . 0 0 "[ . 1 . 2]" 1
688 1 27 ARG HB2 1 30 HIS H 4.100 . 6.200 5.069 4.799 5.219 . 0 0 "[ . 1 . 2]" 1
689 1 27 ARG HB2 1 30 HIS HD2 3.100 . 4.300 4.210 4.070 4.375 0.075 14 0 "[ . 1 . 2]" 1
690 1 27 ARG HB3 1 27 ARG HD3 2.400 . 3.100 3.036 2.833 3.209 0.109 15 0 "[ . 1 . 2]" 1
691 1 27 ARG HB3 1 27 ARG HE 2.900 . 4.000 2.075 1.717 2.599 0.083 20 0 "[ . 1 . 2]" 1
692 1 27 ARG HB3 1 27 ARG HG2 2.600 . 3.400 2.750 2.708 2.813 . 0 0 "[ . 1 . 2]" 1
693 1 27 ARG HB3 1 27 ARG HG3 2.600 . 3.400 2.899 2.856 2.918 . 0 0 "[ . 1 . 2]" 1
694 1 27 ARG HB3 1 28 LYS H 2.300 . 6.000 4.323 4.152 4.449 . 0 0 "[ . 1 . 2]" 1
695 1 27 ARG HB3 1 30 HIS HD2 3.200 . 4.500 3.083 2.783 3.280 . 0 0 "[ . 1 . 2]" 1
696 1 27 ARG HD2 1 27 ARG HG2 2.900 . 3.900 2.261 2.228 2.321 . 0 0 "[ . 1 . 2]" 1
697 1 27 ARG HD2 1 30 HIS HD2 4.600 . 6.300 2.943 2.461 3.599 . 0 0 "[ . 1 . 2]" 1
698 1 27 ARG HD3 1 27 ARG HE 2.300 . 3.000 2.934 2.878 2.957 . 0 0 "[ . 1 . 2]" 1
699 1 27 ARG HD3 1 27 ARG HG2 2.300 . 2.900 2.935 2.874 2.979 0.079 16 0 "[ . 1 . 2]" 1
700 1 27 ARG HD3 1 27 ARG HG3 2.400 . 3.100 2.256 2.213 2.317 . 0 0 "[ . 1 . 2]" 1
701 1 27 ARG HE 1 27 ARG HG2 2.800 . 3.800 3.025 2.792 3.350 . 0 0 "[ . 1 . 2]" 1
702 1 27 ARG HE 1 27 ARG HG3 2.700 . 6.000 3.748 3.597 3.904 . 0 0 "[ . 1 . 2]" 1
703 1 27 ARG HG2 1 28 LYS H 4.500 . 6.300 4.799 4.732 4.901 . 0 0 "[ . 1 . 2]" 1
704 1 27 ARG HG2 1 30 HIS HD2 3.000 . 4.100 2.286 1.928 2.575 . 0 0 "[ . 1 . 2]" 1
705 1 27 ARG HG3 1 28 LYS H 4.800 . 6.300 5.051 4.811 5.307 . 0 0 "[ . 1 . 2]" 1
706 1 27 ARG HG3 1 30 HIS HD2 3.000 . 4.100 3.884 3.562 4.162 0.062 1 0 "[ . 1 . 2]" 1
707 1 28 LYS H 1 28 LYS HA 2.200 . 2.800 2.835 2.812 2.857 0.057 2 0 "[ . 1 . 2]" 1
708 1 28 LYS H 1 28 LYS HB3 2.300 . 6.000 2.786 2.419 3.622 . 0 0 "[ . 1 . 2]" 1
709 1 28 LYS H 1 28 LYS HG2 2.300 . 2.900 2.594 2.074 3.321 0.421 17 0 "[ . 1 . 2]" 1
710 1 28 LYS H 1 28 LYS HG3 2.500 . 3.300 2.822 2.259 3.300 . 0 0 "[ . 1 . 2]" 1
711 1 28 LYS H 1 29 ARG H 2.500 . 3.300 2.542 2.431 2.671 . 0 0 "[ . 1 . 2]" 1
712 1 28 LYS HA 1 28 LYS HB2 2.300 . 2.900 2.552 2.352 3.028 0.128 2 0 "[ . 1 . 2]" 1
713 1 28 LYS HA 1 28 LYS HB3 2.500 . 3.300 2.465 2.404 2.554 . 0 0 "[ . 1 . 2]" 1
714 1 28 LYS HA 1 28 LYS HG2 2.200 . 6.000 3.641 2.395 4.146 . 0 0 "[ . 1 . 2]" 1
715 1 28 LYS HA 1 31 MET H 2.700 . 3.600 3.217 2.958 3.427 . 0 0 "[ . 1 . 2]" 1
716 1 28 LYS HA 1 31 MET HB2 3.000 . 6.000 3.634 2.314 5.588 . 0 0 "[ . 1 . 2]" 1
717 1 28 LYS HB2 1 28 LYS HG3 2.500 . 3.300 2.572 2.213 2.898 . 0 0 "[ . 1 . 2]" 1
718 1 28 LYS HB2 1 29 ARG H 2.900 . 3.900 3.634 2.437 4.092 0.192 8 0 "[ . 1 . 2]" 1
719 1 28 LYS HG2 1 29 ARG H 3.000 . 4.200 3.510 2.795 4.807 0.607 17 1 "[ . 1 . + 2]" 1
720 1 28 LYS HG3 1 31 MET H 3.900 . 5.800 4.898 4.554 5.445 . 0 0 "[ . 1 . 2]" 1
721 1 29 ARG H 1 29 ARG HA 2.200 . 2.800 2.871 2.833 2.907 0.107 8 0 "[ . 1 . 2]" 1
722 1 29 ARG H 1 29 ARG HB2 2.600 . 3.500 3.585 3.542 3.650 0.150 6 0 "[ . 1 . 2]" 1
723 1 29 ARG H 1 29 ARG HB3 2.700 . 3.600 2.733 2.286 3.154 . 0 0 "[ . 1 . 2]" 1
724 1 29 ARG H 1 29 ARG QD 3.200 . 4.500 4.014 3.564 4.472 . 0 0 "[ . 1 . 2]" 1
725 1 29 ARG H 1 29 ARG HG2 2.500 . 3.300 2.604 2.101 3.146 . 0 0 "[ . 1 . 2]" 1
726 1 29 ARG H 1 29 ARG HG3 2.600 . 3.400 2.445 1.775 3.399 0.025 20 0 "[ . 1 . 2]" 1
727 1 29 ARG H 1 30 HIS H 2.300 . 3.000 2.511 2.322 2.683 . 0 0 "[ . 1 . 2]" 1
728 1 29 ARG H 1 30 HIS HA 4.400 . 6.300 5.018 4.887 5.136 . 0 0 "[ . 1 . 2]" 1
729 1 29 ARG H 1 30 HIS HB2 3.500 . 5.000 4.513 4.242 4.724 . 0 0 "[ . 1 . 2]" 1
730 1 29 ARG H 1 30 HIS HB3 3.600 . 6.000 5.901 5.715 6.056 0.056 17 0 "[ . 1 . 2]" 1
731 1 29 ARG H 1 30 HIS HD2 3.800 . 5.600 5.450 5.231 5.670 0.070 4 0 "[ . 1 . 2]" 1
732 1 29 ARG HA 1 29 ARG HB2 2.200 . 2.800 2.467 2.299 2.634 . 0 0 "[ . 1 . 2]" 1
733 1 29 ARG HA 1 29 ARG HB3 2.100 . 2.700 2.432 2.296 2.630 . 0 0 "[ . 1 . 2]" 1
734 1 29 ARG HA 1 29 ARG QD 3.000 . 6.000 4.372 3.851 4.698 . 0 0 "[ . 1 . 2]" 1
735 1 29 ARG HA 1 29 ARG HE 3.500 . 5.100 4.609 3.759 5.205 0.105 13 0 "[ . 1 . 2]" 1
736 1 29 ARG HA 1 29 ARG HG2 2.400 . 6.000 3.974 3.764 4.174 . 0 0 "[ . 1 . 2]" 1
737 1 29 ARG HA 1 29 ARG HG3 2.800 . 3.800 3.594 3.501 3.743 . 0 0 "[ . 1 . 2]" 1
738 1 29 ARG HA 1 30 HIS H 2.600 . 3.400 3.244 2.993 3.431 0.031 18 0 "[ . 1 . 2]" 1
739 1 29 ARG HB2 1 29 ARG HE 3.500 . 5.000 2.605 1.931 3.899 0.069 15 0 "[ . 1 . 2]" 1
740 1 29 ARG HB2 1 30 HIS H 3.400 . 4.900 4.229 3.829 4.457 . 0 0 "[ . 1 . 2]" 1
741 1 29 ARG HB3 1 29 ARG HE 3.300 . 4.600 3.005 2.395 4.607 0.007 3 0 "[ . 1 . 2]" 1
742 1 29 ARG HB3 1 30 HIS H 3.400 . 4.900 4.330 3.893 4.601 . 0 0 "[ . 1 . 2]" 1
743 1 29 ARG QD 1 29 ARG HE 2.600 . 3.500 2.429 2.273 2.496 . 0 0 "[ . 1 . 2]" 1
744 1 29 ARG QD 1 29 ARG HG2 2.600 . 3.400 2.281 2.141 2.461 . 0 0 "[ . 1 . 2]" 1
745 1 29 ARG QD 1 29 ARG HG3 2.200 . 2.800 2.201 2.141 2.446 . 0 0 "[ . 1 . 2]" 1
746 1 29 ARG QD 1 31 MET H 4.100 . 6.200 6.012 5.055 6.325 0.125 2 0 "[ . 1 . 2]" 1
747 1 29 ARG HE 1 29 ARG HG2 3.200 . 4.500 2.907 2.206 3.716 . 0 0 "[ . 1 . 2]" 1
748 1 29 ARG HE 1 29 ARG HG3 3.400 . 4.900 3.450 2.458 3.775 . 0 0 "[ . 1 . 2]" 1
749 1 29 ARG HG2 1 30 HIS H 3.500 . 5.000 4.161 2.776 5.040 0.040 20 0 "[ . 1 . 2]" 1
750 1 29 ARG HG3 1 30 HIS H 2.900 . 4.000 2.992 2.372 3.534 . 0 0 "[ . 1 . 2]" 1
751 1 29 ARG HG3 1 30 HIS HD2 4.200 . 6.300 4.678 4.343 4.949 . 0 0 "[ . 1 . 2]" 1
752 1 30 HIS H 1 30 HIS HA 2.400 . 3.100 2.925 2.879 2.953 . 0 0 "[ . 1 . 2]" 1
753 1 30 HIS H 1 30 HIS HB2 2.600 . 3.500 2.477 2.309 2.642 . 0 0 "[ . 1 . 2]" 1
754 1 30 HIS H 1 30 HIS HB3 2.100 . 6.000 3.663 3.567 3.779 . 0 0 "[ . 1 . 2]" 1
755 1 30 HIS H 1 30 HIS HD2 2.900 . 6.000 4.402 3.969 4.976 . 0 0 "[ . 1 . 2]" 1
756 1 30 HIS H 1 31 MET H 2.400 . 3.100 2.300 1.954 2.701 . 0 0 "[ . 1 . 2]" 1
757 1 30 HIS H 1 31 MET HA 3.500 . 5.100 4.690 4.273 5.025 . 0 0 "[ . 1 . 2]" 1
758 1 30 HIS H 1 32 LEU H 3.500 . 5.100 4.109 3.468 4.829 . 0 0 "[ . 1 . 2]" 1
759 1 30 HIS HA 1 30 HIS HB2 2.300 . 3.000 3.020 2.999 3.027 0.027 3 0 "[ . 1 . 2]" 1
760 1 30 HIS HA 1 30 HIS HB3 2.400 . 3.100 2.516 2.469 2.635 . 0 0 "[ . 1 . 2]" 1
761 1 30 HIS HA 1 30 HIS HD2 3.500 . 5.000 4.800 4.713 4.843 . 0 0 "[ . 1 . 2]" 1
762 1 30 HIS HA 1 31 MET H 2.500 . 3.300 3.199 2.856 3.492 0.192 4 0 "[ . 1 . 2]" 1
763 1 30 HIS HA 1 32 LEU H 4.100 . 6.200 3.757 3.231 4.934 . 0 0 "[ . 1 . 2]" 1
764 1 30 HIS HB2 1 30 HIS HD2 2.400 . 3.100 2.756 2.701 2.835 . 0 0 "[ . 1 . 2]" 1
765 1 30 HIS HB2 1 31 MET H 3.000 . 4.100 3.473 2.463 4.133 0.033 13 0 "[ . 1 . 2]" 1
766 1 30 HIS HB3 1 31 MET H 2.900 . 6.000 4.126 3.487 4.431 . 0 0 "[ . 1 . 2]" 1
767 1 31 MET H 1 31 MET HA 2.400 . 3.100 2.905 2.812 2.945 . 0 0 "[ . 1 . 2]" 1
768 1 31 MET H 1 31 MET HB2 2.300 . 6.000 2.406 2.057 3.698 . 0 0 "[ . 1 . 2]" 1
769 1 31 MET H 1 31 MET HG2 2.700 . 3.600 3.718 2.571 3.979 0.379 20 0 "[ . 1 . 2]" 1
770 1 31 MET H 1 31 MET HG3 2.900 . 3.900 3.039 2.170 3.840 . 0 0 "[ . 1 . 2]" 1
771 1 31 MET H 1 32 LEU H 2.700 . 3.600 2.328 1.989 2.596 . 0 0 "[ . 1 . 2]" 1
772 1 31 MET H 1 32 LEU MD2 4.700 . 6.300 5.461 3.579 6.853 0.553 4 1 "[ +. 1 . 2]" 1
773 1 31 MET HA 1 31 MET HB2 2.500 . 3.300 2.961 2.291 3.021 . 0 0 "[ . 1 . 2]" 1
774 1 31 MET HA 1 31 MET HB3 2.300 . 3.000 2.579 2.314 2.805 . 0 0 "[ . 1 . 2]" 1
775 1 31 MET HA 1 31 MET HG2 3.500 . 5.000 2.541 2.082 3.871 . 0 0 "[ . 1 . 2]" 1
776 1 31 MET HA 1 31 MET HG3 2.800 . 3.700 3.087 2.671 3.764 0.064 13 0 "[ . 1 . 2]" 1
777 1 31 MET HA 1 32 LEU H 2.200 . 6.000 3.349 3.039 3.556 . 0 0 "[ . 1 . 2]" 1
778 1 31 MET HB2 1 32 LEU H 3.100 . 4.300 3.265 2.448 4.421 0.121 2 0 "[ . 1 . 2]" 1
779 1 31 MET HB3 1 32 LEU H 3.000 . 4.100 3.861 3.099 4.273 0.173 20 0 "[ . 1 . 2]" 1
780 1 31 MET HB3 1 33 VAL H 3.900 . 5.800 4.564 3.150 5.890 0.090 14 0 "[ . 1 . 2]" 1
781 1 31 MET HG3 1 32 LEU H 3.900 . 5.800 4.706 3.525 5.520 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU H 1 32 LEU HA 2.700 . 3.600 2.557 2.256 2.945 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU H 1 32 LEU HB3 2.900 . 3.900 3.714 2.761 4.120 0.220 10 0 "[ . 1 . 2]" 1
784 1 32 LEU H 1 32 LEU MD1 4.000 . 6.000 3.711 2.630 4.432 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU H 1 32 LEU MD2 3.500 . 5.000 3.902 2.415 4.938 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU H 1 33 VAL H 3.200 . 4.500 3.048 2.512 4.005 . 0 0 "[ . 1 . 2]" 1
787 1 32 LEU H 1 33 VAL HA 3.800 . 5.600 5.130 4.675 5.330 . 0 0 "[ . 1 . 2]" 1
788 1 32 LEU HA 1 32 LEU HB2 2.600 . 3.400 2.906 2.571 3.021 . 0 0 "[ . 1 . 2]" 1
789 1 32 LEU HA 1 32 LEU HB3 2.700 . 3.600 2.647 2.223 3.006 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU HA 1 32 LEU MD2 2.700 . 3.600 2.928 1.797 3.795 0.195 14 0 "[ . 1 . 2]" 1
791 1 32 LEU HA 1 33 VAL H 2.200 . 2.800 2.611 2.250 2.832 0.032 11 0 "[ . 1 . 2]" 1
792 1 32 LEU HB2 1 32 LEU MD1 2.700 . 3.600 2.241 1.912 3.186 . 0 0 "[ . 1 . 2]" 1
793 1 32 LEU HB2 1 32 LEU MD2 2.400 . 3.100 2.883 1.952 3.201 0.101 7 0 "[ . 1 . 2]" 1
794 1 32 LEU HB2 1 33 VAL H 3.300 . 4.700 4.413 4.235 4.601 . 0 0 "[ . 1 . 2]" 1
795 1 32 LEU HB3 1 32 LEU MD1 2.800 . 3.800 2.737 2.172 3.177 . 0 0 "[ . 1 . 2]" 1
796 1 32 LEU HB3 1 32 LEU MD2 2.700 . 3.600 2.261 1.958 3.163 . 0 0 "[ . 1 . 2]" 1
797 1 32 LEU HB3 1 33 VAL H 3.400 . 4.800 4.334 4.083 4.611 . 0 0 "[ . 1 . 2]" 1
798 1 33 VAL H 1 33 VAL HB 3.100 . 4.300 3.091 2.520 3.903 . 0 0 "[ . 1 . 2]" 1
799 1 33 VAL H 1 33 VAL MG2 3.000 . 4.100 2.749 1.918 4.016 . 0 0 "[ . 1 . 2]" 1
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