NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397043 |
1srk   |
6216 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1srk
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 547
_Distance_constraint_stats_list.Viol_count 562
_Distance_constraint_stats_list.Viol_total 737.660
_Distance_constraint_stats_list.Viol_max 0.400
_Distance_constraint_stats_list.Viol_rms 0.0211
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0656
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 SER 0.466 0.218 9 0 "[ . 1 . 2]"
1 4 GLY 2.937 0.218 9 0 "[ . 1 . 2]"
1 5 LYS 0.914 0.400 3 0 "[ . 1 . 2]"
1 6 ARG 0.864 0.400 3 0 "[ . 1 . 2]"
1 7 PRO 1.098 0.112 18 0 "[ . 1 . 2]"
1 8 PHE 5.849 0.162 2 0 "[ . 1 . 2]"
1 9 VAL 6.339 0.313 11 0 "[ . 1 . 2]"
1 10 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 1.902 0.114 20 0 "[ . 1 . 2]"
1 12 ILE 1.991 0.096 8 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 4.149 0.167 9 0 "[ . 1 . 2]"
1 15 SER 0.132 0.032 9 0 "[ . 1 . 2]"
1 16 ALA 1.201 0.071 11 0 "[ . 1 . 2]"
1 17 PHE 1.303 0.097 15 0 "[ . 1 . 2]"
1 18 THR 1.190 0.098 16 0 "[ . 1 . 2]"
1 19 THR 1.612 0.116 8 0 "[ . 1 . 2]"
1 20 LYS 7.066 0.371 3 0 "[ . 1 . 2]"
1 21 ALA 8.153 0.371 3 0 "[ . 1 . 2]"
1 22 ASN 2.884 0.162 2 0 "[ . 1 . 2]"
1 23 CYS 0.036 0.031 1 0 "[ . 1 . 2]"
1 24 ALA 0.013 0.013 4 0 "[ . 1 . 2]"
1 25 ARG 0.291 0.074 1 0 "[ . 1 . 2]"
1 26 HIS 3.836 0.196 16 0 "[ . 1 . 2]"
1 27 LEU 1.467 0.086 18 0 "[ . 1 . 2]"
1 28 LYS 0.804 0.218 20 0 "[ . 1 . 2]"
1 29 VAL 2.275 0.205 18 0 "[ . 1 . 2]"
1 30 HIS 5.747 0.196 16 0 "[ . 1 . 2]"
1 31 THR 0.792 0.086 18 0 "[ . 1 . 2]"
1 32 ASP 1.238 0.218 20 0 "[ . 1 . 2]"
1 33 THR 1.672 0.149 3 0 "[ . 1 . 2]"
1 34 LEU 1.630 0.214 13 0 "[ . 1 . 2]"
1 35 SER 0.671 0.214 13 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 HB2 4.300 . 6.000 3.090 2.461 4.088 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 SER H 3.100 . 4.300 2.791 2.139 3.557 . 0 0 "[ . 1 . 2]" 1
3 1 3 SER H 1 3 SER HB2 3.900 . 5.800 3.286 2.488 3.967 . 0 0 "[ . 1 . 2]" 1
4 1 3 SER H 1 4 GLY H 4.400 . 6.000 3.952 2.383 4.650 . 0 0 "[ . 1 . 2]" 1
5 1 3 SER HA 1 4 GLY H 2.500 . 3.300 2.477 2.128 3.518 0.218 9 0 "[ . 1 . 2]" 1
6 1 3 SER HB2 1 4 GLY H 3.600 . 5.200 3.656 1.859 4.422 0.141 19 0 "[ . 1 . 2]" 1
7 1 4 GLY H 1 4 GLY QA 2.600 . 3.400 2.291 2.176 2.514 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLY H 1 5 LYS H 3.500 . 5.000 3.818 2.685 4.576 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLY H 1 21 ALA MB 3.800 . 6.000 6.124 6.007 6.211 0.211 15 0 "[ . 1 . 2]" 1
10 1 4 GLY QA 1 5 LYS H 2.300 . 3.000 2.230 2.032 2.648 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLY QA 1 6 ARG H 4.700 . 6.000 5.693 5.455 5.872 . 0 0 "[ . 1 . 2]" 1
12 1 5 LYS H 1 5 LYS HA 2.800 . 3.800 2.774 2.267 2.938 . 0 0 "[ . 1 . 2]" 1
13 1 5 LYS H 1 5 LYS HB2 2.400 . 6.000 3.279 2.311 4.035 . 0 0 "[ . 1 . 2]" 1
14 1 5 LYS H 1 6 ARG H 3.700 . 5.400 4.347 4.003 4.649 . 0 0 "[ . 1 . 2]" 1
15 1 5 LYS HA 1 6 ARG H 2.100 . 2.600 2.429 2.155 3.000 0.400 3 0 "[ . 1 . 2]" 1
16 1 5 LYS HB2 1 6 ARG H 3.300 . 4.700 3.502 1.810 4.373 0.090 3 0 "[ . 1 . 2]" 1
17 1 5 LYS HB2 1 7 PRO HD2 5.600 . 6.000 4.317 2.287 6.076 0.076 17 0 "[ . 1 . 2]" 1
18 1 6 ARG H 1 6 ARG HA 2.700 . 3.600 2.859 2.776 2.948 . 0 0 "[ . 1 . 2]" 1
19 1 6 ARG H 1 6 ARG HB2 2.500 . 3.300 2.620 2.419 3.326 0.026 3 0 "[ . 1 . 2]" 1
20 1 6 ARG H 1 6 ARG HG2 4.100 . 6.000 3.848 2.177 4.646 . 0 0 "[ . 1 . 2]" 1
21 1 6 ARG H 1 7 PRO HD2 4.200 . 6.000 3.185 2.055 4.683 . 0 0 "[ . 1 . 2]" 1
22 1 6 ARG HA 1 6 ARG HE 5.100 . 6.000 4.401 2.498 5.711 . 0 0 "[ . 1 . 2]" 1
23 1 6 ARG HA 1 6 ARG HG2 4.200 . 6.000 3.170 2.448 3.802 . 0 0 "[ . 1 . 2]" 1
24 1 6 ARG HA 1 7 PRO HD2 2.200 . 6.000 3.359 2.812 3.731 . 0 0 "[ . 1 . 2]" 1
25 1 6 ARG HA 1 7 PRO HG2 4.800 . 6.000 5.209 4.771 5.509 . 0 0 "[ . 1 . 2]" 1
26 1 6 ARG HA 1 8 PHE H 3.100 . 4.300 3.300 2.784 3.732 . 0 0 "[ . 1 . 2]" 1
27 1 6 ARG HA 1 17 PHE QD 5.900 . 6.000 5.524 5.425 5.623 . 0 0 "[ . 1 . 2]" 1
28 1 6 ARG HB2 1 6 ARG HE 3.800 . 5.600 3.855 2.011 5.216 . 0 0 "[ . 1 . 2]" 1
29 1 6 ARG HE 1 6 ARG HG2 3.700 . 5.400 3.164 2.430 4.034 . 0 0 "[ . 1 . 2]" 1
30 1 7 PRO HA 1 7 PRO HB2 2.600 . 3.500 2.737 2.657 2.883 . 0 0 "[ . 1 . 2]" 1
31 1 7 PRO HA 1 7 PRO HD2 4.600 . 6.000 4.009 3.861 4.101 . 0 0 "[ . 1 . 2]" 1
32 1 7 PRO HA 1 7 PRO HG2 4.100 . 6.000 3.880 3.727 4.101 . 0 0 "[ . 1 . 2]" 1
33 1 7 PRO HA 1 8 PHE H 2.600 . 3.500 3.261 3.017 3.519 0.019 15 0 "[ . 1 . 2]" 1
34 1 7 PRO HA 1 8 PHE QD 4.500 . 6.000 4.462 4.066 5.406 . 0 0 "[ . 1 . 2]" 1
35 1 7 PRO HA 1 8 PHE QE 6.000 . 6.000 5.961 5.781 6.084 0.084 17 0 "[ . 1 . 2]" 1
36 1 7 PRO HB2 1 8 PHE H 4.000 . 6.000 3.791 2.637 4.250 . 0 0 "[ . 1 . 2]" 1
37 1 7 PRO HB2 1 8 PHE QD 3.900 . 5.800 3.449 2.343 3.709 . 0 0 "[ . 1 . 2]" 1
38 1 7 PRO HB2 1 8 PHE QE 4.500 . 6.000 4.377 3.404 4.867 . 0 0 "[ . 1 . 2]" 1
39 1 7 PRO HD2 1 7 PRO HG2 2.500 . 3.300 2.323 2.260 2.388 . 0 0 "[ . 1 . 2]" 1
40 1 7 PRO HD2 1 8 PHE H 2.700 . 3.600 2.878 1.747 3.712 0.112 18 0 "[ . 1 . 2]" 1
41 1 7 PRO HD2 1 8 PHE QD 2.800 . 3.800 2.994 1.924 3.814 0.014 2 0 "[ . 1 . 2]" 1
42 1 7 PRO HD2 1 8 PHE QE 3.500 . 5.100 3.329 2.588 4.137 . 0 0 "[ . 1 . 2]" 1
43 1 7 PRO HG2 1 8 PHE H 4.200 . 6.000 3.511 3.103 4.037 . 0 0 "[ . 1 . 2]" 1
44 1 7 PRO HG2 1 8 PHE QD 2.900 . 4.000 2.632 2.029 4.002 0.002 15 0 "[ . 1 . 2]" 1
45 1 7 PRO HG2 1 8 PHE QE 3.100 . 4.300 2.652 2.204 3.265 . 0 0 "[ . 1 . 2]" 1
46 1 8 PHE H 1 8 PHE HA 2.700 . 3.600 2.871 2.798 2.927 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE H 1 8 PHE HB2 2.500 . 3.300 2.492 2.398 2.698 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE H 1 8 PHE QD 2.800 . 3.700 2.357 1.994 2.966 . 0 0 "[ . 1 . 2]" 1
49 1 8 PHE H 1 8 PHE QE 4.300 . 6.000 4.271 3.893 4.556 . 0 0 "[ . 1 . 2]" 1
50 1 8 PHE H 1 9 VAL H 3.700 . 5.400 3.830 3.090 4.567 . 0 0 "[ . 1 . 2]" 1
51 1 8 PHE H 1 9 VAL MG1 4.400 . 6.000 5.376 4.858 6.016 0.016 17 0 "[ . 1 . 2]" 1
52 1 8 PHE H 1 16 ALA MB 3.900 . 5.800 4.251 3.677 4.986 . 0 0 "[ . 1 . 2]" 1
53 1 8 PHE H 1 17 PHE H 3.200 . 4.500 4.060 3.676 4.428 . 0 0 "[ . 1 . 2]" 1
54 1 8 PHE HA 1 8 PHE HB2 2.900 . 3.900 3.023 3.011 3.035 . 0 0 "[ . 1 . 2]" 1
55 1 8 PHE HA 1 8 PHE QD 2.000 . 2.500 2.467 2.057 2.623 0.123 15 0 "[ . 1 . 2]" 1
56 1 8 PHE HA 1 9 VAL H 3.000 . 4.100 2.471 2.130 2.730 . 0 0 "[ . 1 . 2]" 1
57 1 8 PHE HB2 1 8 PHE QD 3.200 . 4.400 2.619 2.259 2.735 . 0 0 "[ . 1 . 2]" 1
58 1 8 PHE HB2 1 9 VAL H 3.500 . 5.100 4.221 4.006 4.375 . 0 0 "[ . 1 . 2]" 1
59 1 8 PHE HB2 1 18 THR H 4.600 . 6.000 4.962 4.632 5.545 . 0 0 "[ . 1 . 2]" 1
60 1 8 PHE QD 1 9 VAL H 3.900 . 5.800 4.286 4.027 4.553 . 0 0 "[ . 1 . 2]" 1
61 1 8 PHE QD 1 9 VAL MG1 6.000 . 6.000 5.651 5.477 5.838 . 0 0 "[ . 1 . 2]" 1
62 1 8 PHE QD 1 17 PHE H 5.200 . 6.000 4.756 4.310 5.016 . 0 0 "[ . 1 . 2]" 1
63 1 8 PHE QD 1 17 PHE HB2 3.700 . 5.400 4.086 3.722 4.452 . 0 0 "[ . 1 . 2]" 1
64 1 8 PHE QD 1 18 THR HA 3.400 . 4.800 4.588 3.962 4.820 0.020 12 0 "[ . 1 . 2]" 1
65 1 8 PHE QD 1 18 THR HB 4.400 . 6.000 5.860 5.299 6.096 0.096 12 0 "[ . 1 . 2]" 1
66 1 8 PHE QD 1 19 THR HA 3.000 . 4.100 2.879 2.308 3.229 . 0 0 "[ . 1 . 2]" 1
67 1 8 PHE QD 1 19 THR HB 5.000 . 6.000 4.771 4.523 5.010 . 0 0 "[ . 1 . 2]" 1
68 1 8 PHE QD 1 19 THR MG 4.500 . 6.000 4.656 4.071 4.970 . 0 0 "[ . 1 . 2]" 1
69 1 8 PHE QD 1 20 LYS H 3.200 . 4.500 2.972 2.590 3.642 . 0 0 "[ . 1 . 2]" 1
70 1 8 PHE QD 1 20 LYS HB2 4.300 . 6.000 4.757 4.292 5.492 . 0 0 "[ . 1 . 2]" 1
71 1 8 PHE QD 1 23 CYS H 4.800 . 6.000 4.721 4.347 5.239 . 0 0 "[ . 1 . 2]" 1
72 1 8 PHE QD 1 23 CYS HB2 3.300 . 4.600 4.252 3.688 4.606 0.006 11 0 "[ . 1 . 2]" 1
73 1 8 PHE QE 1 18 THR HA 5.400 . 6.000 5.347 4.655 5.523 . 0 0 "[ . 1 . 2]" 1
74 1 8 PHE QE 1 18 THR HB 6.000 . 6.000 5.984 5.230 6.098 0.098 16 0 "[ . 1 . 2]" 1
75 1 8 PHE QE 1 19 THR HA 2.000 . 2.500 2.336 1.735 2.616 0.116 8 0 "[ . 1 . 2]" 1
76 1 8 PHE QE 1 19 THR HB 4.600 . 6.000 4.129 3.754 4.358 . 0 0 "[ . 1 . 2]" 1
77 1 8 PHE QE 1 19 THR MG 4.300 . 6.000 4.026 3.029 4.492 . 0 0 "[ . 1 . 2]" 1
78 1 8 PHE QE 1 20 LYS H 2.400 . 3.100 2.252 1.952 3.105 0.005 15 0 "[ . 1 . 2]" 1
79 1 8 PHE QE 1 20 LYS HA 4.500 . 6.000 4.014 3.687 4.925 . 0 0 "[ . 1 . 2]" 1
80 1 8 PHE QE 1 20 LYS HB2 5.200 . 6.000 4.098 3.637 4.868 . 0 0 "[ . 1 . 2]" 1
81 1 8 PHE QE 1 22 ASN H 5.600 . 6.000 6.094 5.998 6.162 0.162 2 0 "[ . 1 . 2]" 1
82 1 8 PHE HZ 1 19 THR HA 5.400 . 6.000 4.395 3.768 4.654 . 0 0 "[ . 1 . 2]" 1
83 1 8 PHE HZ 1 20 LYS HA 6.000 . 6.000 5.985 5.746 6.105 0.105 19 0 "[ . 1 . 2]" 1
84 1 9 VAL H 1 9 VAL HA 2.800 . 3.800 2.884 2.849 2.936 . 0 0 "[ . 1 . 2]" 1
85 1 9 VAL H 1 9 VAL HB 2.200 . 2.800 2.732 2.481 3.113 0.313 11 0 "[ . 1 . 2]" 1
86 1 9 VAL H 1 9 VAL MG1 2.500 . 3.300 2.305 2.146 2.585 . 0 0 "[ . 1 . 2]" 1
87 1 9 VAL H 1 9 VAL MG2 4.200 . 6.000 3.849 3.766 3.988 . 0 0 "[ . 1 . 2]" 1
88 1 9 VAL H 1 10 CYS H 5.100 . 6.000 4.466 4.230 4.587 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL HA 1 9 VAL HB 2.400 . 3.100 2.530 2.517 2.544 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL HA 1 9 VAL MG1 2.700 . 3.600 3.199 3.189 3.212 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL HA 1 9 VAL MG2 2.400 . 3.100 2.220 2.107 2.332 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL HA 1 10 CYS H 1.900 . 2.400 2.201 2.157 2.262 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL HA 1 10 CYS HB2 4.400 . 6.000 4.517 4.444 4.633 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL HA 1 16 ALA MB 4.000 . 6.000 3.099 2.714 3.395 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL HA 1 17 PHE H 3.500 . 5.000 3.183 3.026 3.342 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL HA 1 17 PHE QD 3.800 . 5.600 3.662 3.346 3.796 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL HA 1 17 PHE QE 5.200 . 6.000 4.957 4.727 5.205 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL HB 1 9 VAL MG1 2.000 . 2.500 2.100 2.070 2.123 . 0 0 "[ . 1 . 2]" 1
99 1 9 VAL HB 1 9 VAL MG2 2.100 . 2.700 2.098 2.075 2.132 . 0 0 "[ . 1 . 2]" 1
100 1 9 VAL HB 1 10 CYS H 4.700 . 6.000 4.156 4.085 4.213 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL HB 1 14 LEU HA 6.000 . 6.000 5.084 4.861 5.282 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL HB 1 16 ALA MB 4.400 . 6.000 3.134 2.755 3.473 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL MG1 1 10 CYS H 3.300 . 4.700 3.635 3.552 3.731 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL MG1 1 10 CYS HA 6.000 . 6.000 4.358 4.278 4.443 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL MG1 1 10 CYS HB2 5.100 . 6.000 5.450 5.370 5.545 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL MG1 1 11 ARG H 3.300 . 4.700 4.759 4.722 4.814 0.114 20 0 "[ . 1 . 2]" 1
107 1 9 VAL MG1 1 12 ILE HA 4.200 . 6.000 5.870 5.725 5.989 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL MG1 1 13 CYS H 4.400 . 6.000 4.986 4.910 5.052 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL MG1 1 14 LEU H 4.800 . 6.000 6.118 6.078 6.167 0.167 9 0 "[ . 1 . 2]" 1
110 1 9 VAL MG1 1 14 LEU HA 2.900 . 3.900 3.763 3.665 3.834 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL MG1 1 14 LEU HB2 4.900 . 6.000 5.934 5.834 6.023 0.023 6 0 "[ . 1 . 2]" 1
112 1 9 VAL MG1 1 14 LEU HG 3.700 . 5.400 5.375 5.295 5.429 0.029 6 0 "[ . 1 . 2]" 1
113 1 9 VAL MG1 1 15 SER H 5.900 . 6.000 5.392 5.311 5.483 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL MG1 1 16 ALA H 5.700 . 6.000 5.968 5.756 6.049 0.049 12 0 "[ . 1 . 2]" 1
115 1 9 VAL MG1 1 16 ALA HA 2.700 . 6.000 4.513 4.379 4.613 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL MG1 1 16 ALA MB 2.400 . 6.000 4.339 4.038 4.577 . 0 0 "[ . 1 . 2]" 1
117 1 9 VAL MG1 1 17 PHE QD 5.100 . 6.000 5.995 5.756 6.074 0.074 2 0 "[ . 1 . 2]" 1
118 1 9 VAL MG2 1 10 CYS H 2.500 . 3.300 2.235 1.949 2.518 . 0 0 "[ . 1 . 2]" 1
119 1 9 VAL MG2 1 10 CYS HA 4.900 . 6.000 4.333 4.152 4.449 . 0 0 "[ . 1 . 2]" 1
120 1 9 VAL MG2 1 10 CYS HB2 4.900 . 6.000 4.276 4.098 4.481 . 0 0 "[ . 1 . 2]" 1
121 1 9 VAL MG2 1 11 ARG H 4.500 . 6.000 5.313 5.146 5.450 . 0 0 "[ . 1 . 2]" 1
122 1 9 VAL MG2 1 14 LEU H 4.300 . 6.000 4.296 4.192 4.462 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL MG2 1 14 LEU HA 2.100 . 2.600 2.173 2.022 2.393 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL MG2 1 14 LEU HB2 4.400 . 6.000 4.138 3.997 4.276 . 0 0 "[ . 1 . 2]" 1
125 1 9 VAL MG2 1 14 LEU HG 4.700 . 6.000 4.314 4.098 4.548 . 0 0 "[ . 1 . 2]" 1
126 1 9 VAL MG2 1 15 SER H 4.900 . 6.000 3.331 3.127 3.538 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL MG2 1 16 ALA H 4.800 . 6.000 3.440 3.101 3.616 . 0 0 "[ . 1 . 2]" 1
128 1 9 VAL MG2 1 16 ALA HA 3.400 . 4.900 2.847 2.562 3.089 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL MG2 1 16 ALA MB 3.200 . 4.500 2.792 2.576 3.123 . 0 0 "[ . 1 . 2]" 1
130 1 10 CYS H 1 10 CYS HA 2.800 . 3.800 2.773 2.743 2.805 . 0 0 "[ . 1 . 2]" 1
131 1 10 CYS H 1 10 CYS HB2 2.500 . 3.300 2.512 2.483 2.580 . 0 0 "[ . 1 . 2]" 1
132 1 10 CYS H 1 11 ARG H 4.600 . 6.000 4.532 4.497 4.553 . 0 0 "[ . 1 . 2]" 1
133 1 10 CYS H 1 13 CYS H 5.900 . 6.000 5.369 5.217 5.518 . 0 0 "[ . 1 . 2]" 1
134 1 10 CYS H 1 14 LEU H 5.100 . 6.000 4.893 4.806 4.956 . 0 0 "[ . 1 . 2]" 1
135 1 10 CYS H 1 14 LEU HA 3.600 . 5.300 3.609 3.393 3.730 . 0 0 "[ . 1 . 2]" 1
136 1 10 CYS H 1 15 SER H 4.000 . 6.000 3.114 2.958 3.272 . 0 0 "[ . 1 . 2]" 1
137 1 10 CYS H 1 15 SER HB2 5.200 . 6.000 3.769 3.654 3.928 . 0 0 "[ . 1 . 2]" 1
138 1 10 CYS H 1 16 ALA HA 3.400 . 4.800 3.246 2.967 3.478 . 0 0 "[ . 1 . 2]" 1
139 1 10 CYS H 1 16 ALA MB 4.800 . 6.000 4.485 4.230 4.722 . 0 0 "[ . 1 . 2]" 1
140 1 10 CYS H 1 17 PHE QD 3.600 . 5.200 3.596 3.457 3.821 . 0 0 "[ . 1 . 2]" 1
141 1 10 CYS H 1 17 PHE QE 3.700 . 5.400 3.810 3.670 3.925 . 0 0 "[ . 1 . 2]" 1
142 1 10 CYS H 1 26 HIS HD2 2.900 . 6.000 5.605 5.345 5.797 . 0 0 "[ . 1 . 2]" 1
143 1 10 CYS HA 1 10 CYS HB2 2.600 . 3.400 2.420 2.385 2.443 . 0 0 "[ . 1 . 2]" 1
144 1 10 CYS HA 1 11 ARG H 2.000 . 2.500 2.122 2.091 2.144 . 0 0 "[ . 1 . 2]" 1
145 1 10 CYS HA 1 11 ARG HG2 4.400 . 6.000 4.190 3.678 5.192 . 0 0 "[ . 1 . 2]" 1
146 1 10 CYS HA 1 12 ILE H 4.000 . 6.000 3.937 3.768 4.031 . 0 0 "[ . 1 . 2]" 1
147 1 10 CYS HA 1 12 ILE HB 3.500 . 5.100 4.649 4.146 4.922 . 0 0 "[ . 1 . 2]" 1
148 1 10 CYS HA 1 17 PHE QE 5.200 . 6.000 4.738 4.309 4.938 . 0 0 "[ . 1 . 2]" 1
149 1 10 CYS HA 1 26 HIS HD2 3.300 . 4.700 4.377 4.006 4.641 . 0 0 "[ . 1 . 2]" 1
150 1 10 CYS HB2 1 11 ARG H 5.000 . 6.000 4.061 3.956 4.142 . 0 0 "[ . 1 . 2]" 1
151 1 10 CYS HB2 1 12 ILE H 5.000 . 6.000 4.636 4.449 4.763 . 0 0 "[ . 1 . 2]" 1
152 1 10 CYS HB2 1 13 CYS H 3.300 . 4.700 4.138 3.929 4.246 . 0 0 "[ . 1 . 2]" 1
153 1 10 CYS HB2 1 14 LEU H 4.800 . 6.000 4.733 4.530 4.927 . 0 0 "[ . 1 . 2]" 1
154 1 10 CYS HB2 1 15 SER H 3.400 . 4.800 3.118 2.844 3.356 . 0 0 "[ . 1 . 2]" 1
155 1 10 CYS HB2 1 17 PHE QE 3.200 . 4.500 2.745 2.557 2.929 . 0 0 "[ . 1 . 2]" 1
156 1 10 CYS HB2 1 26 HIS HD2 3.000 . 4.100 3.182 2.865 3.400 . 0 0 "[ . 1 . 2]" 1
157 1 11 ARG H 1 11 ARG HA 2.600 . 3.400 2.829 2.807 2.857 . 0 0 "[ . 1 . 2]" 1
158 1 11 ARG H 1 11 ARG HG2 2.400 . 3.100 2.414 1.871 3.205 0.105 3 0 "[ . 1 . 2]" 1
159 1 11 ARG H 1 12 ILE H 2.600 . 3.500 2.561 2.469 2.627 . 0 0 "[ . 1 . 2]" 1
160 1 11 ARG H 1 12 ILE HA 5.400 . 6.000 5.158 5.094 5.210 . 0 0 "[ . 1 . 2]" 1
161 1 11 ARG H 1 12 ILE HB 3.700 . 5.500 4.965 4.875 5.057 . 0 0 "[ . 1 . 2]" 1
162 1 11 ARG H 1 12 ILE MD 3.400 . 4.800 4.815 4.706 4.842 0.042 13 0 "[ . 1 . 2]" 1
163 1 11 ARG H 1 12 ILE HG12 3.800 . 5.600 4.042 3.881 4.168 . 0 0 "[ . 1 . 2]" 1
164 1 11 ARG H 1 13 CYS H 3.600 . 5.200 4.460 4.350 4.562 . 0 0 "[ . 1 . 2]" 1
165 1 11 ARG HA 1 11 ARG HE 6.000 . 6.000 5.094 3.965 6.020 0.020 15 0 "[ . 1 . 2]" 1
166 1 11 ARG HA 1 11 ARG HG2 3.000 . 4.100 3.401 2.587 3.797 . 0 0 "[ . 1 . 2]" 1
167 1 11 ARG HA 1 12 ILE H 3.100 . 4.300 3.523 3.500 3.543 . 0 0 "[ . 1 . 2]" 1
168 1 11 ARG HA 1 12 ILE HB 4.700 . 6.000 5.391 5.089 5.555 . 0 0 "[ . 1 . 2]" 1
169 1 11 ARG HE 1 11 ARG HG2 3.500 . 5.100 3.303 2.501 4.011 . 0 0 "[ . 1 . 2]" 1
170 1 11 ARG HG2 1 12 ILE H 4.100 . 6.000 3.330 2.293 4.863 . 0 0 "[ . 1 . 2]" 1
171 1 12 ILE H 1 12 ILE HA 2.800 . 3.800 2.862 2.830 2.901 . 0 0 "[ . 1 . 2]" 1
172 1 12 ILE H 1 12 ILE HB 2.100 . 2.700 2.592 2.569 2.627 . 0 0 "[ . 1 . 2]" 1
173 1 12 ILE H 1 12 ILE MD 3.500 . 5.000 3.225 3.154 3.315 . 0 0 "[ . 1 . 2]" 1
174 1 12 ILE H 1 12 ILE HG12 2.200 . 2.800 2.189 2.094 2.287 . 0 0 "[ . 1 . 2]" 1
175 1 12 ILE H 1 12 ILE MG 3.500 . 5.000 3.791 3.764 3.819 . 0 0 "[ . 1 . 2]" 1
176 1 12 ILE H 1 13 CYS H 2.500 . 3.300 2.653 2.596 2.716 . 0 0 "[ . 1 . 2]" 1
177 1 12 ILE H 1 14 LEU H 3.600 . 6.000 6.037 5.997 6.096 0.096 8 0 "[ . 1 . 2]" 1
178 1 12 ILE HA 1 12 ILE HB 2.600 . 3.500 3.017 3.012 3.021 . 0 0 "[ . 1 . 2]" 1
179 1 12 ILE HA 1 12 ILE MD 2.500 . 3.300 2.039 1.848 2.182 . 0 0 "[ . 1 . 2]" 1
180 1 12 ILE HA 1 12 ILE HG12 2.900 . 4.000 3.129 3.101 3.158 . 0 0 "[ . 1 . 2]" 1
181 1 12 ILE HA 1 12 ILE MG 2.300 . 2.900 2.306 2.214 2.414 . 0 0 "[ . 1 . 2]" 1
182 1 12 ILE HA 1 13 CYS H 3.600 . 5.200 3.585 3.567 3.602 . 0 0 "[ . 1 . 2]" 1
183 1 12 ILE HA 1 30 HIS HE1 6.000 . 6.000 6.012 5.950 6.068 0.068 16 0 "[ . 1 . 2]" 1
184 1 12 ILE HB 1 12 ILE MD 2.900 . 4.000 3.229 3.216 3.238 . 0 0 "[ . 1 . 2]" 1
185 1 12 ILE HB 1 12 ILE MG 2.000 . 2.500 2.103 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
186 1 12 ILE HB 1 13 CYS H 2.300 . 3.000 2.406 2.329 2.484 . 0 0 "[ . 1 . 2]" 1
187 1 12 ILE HB 1 14 LEU H 4.500 . 6.000 5.961 5.905 6.029 0.029 5 0 "[ . 1 . 2]" 1
188 1 12 ILE HB 1 30 HIS HD2 2.500 . 3.300 2.817 2.708 3.016 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE MD 1 12 ILE HG12 2.400 . 3.100 2.090 2.069 2.116 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE MD 1 12 ILE MG 2.400 . 3.100 2.034 1.768 2.156 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE MD 1 13 CYS H 5.300 . 6.000 4.600 4.575 4.647 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE MD 1 30 HIS HB2 2.300 . 6.000 4.320 4.020 4.548 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE MD 1 30 HIS HD2 4.800 . 6.000 4.610 4.463 4.807 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE MD 1 30 HIS HE1 6.000 . 6.000 6.013 5.975 6.059 0.059 15 0 "[ . 1 . 2]" 1
195 1 12 ILE HG12 1 12 ILE MG 3.200 . 4.500 3.190 3.178 3.201 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE HG12 1 13 CYS H 5.200 . 6.000 4.106 4.057 4.136 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE HG12 1 30 HIS HD2 4.200 . 6.000 3.678 3.397 3.924 . 0 0 "[ . 1 . 2]" 1
198 1 12 ILE MG 1 13 CYS H 3.000 . 4.100 3.379 3.293 3.488 . 0 0 "[ . 1 . 2]" 1
199 1 12 ILE MG 1 13 CYS HA 3.400 . 4.800 3.752 3.594 3.873 . 0 0 "[ . 1 . 2]" 1
200 1 12 ILE MG 1 13 CYS HB2 4.600 . 6.000 5.010 4.901 5.132 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE MG 1 14 LEU H 5.500 . 6.000 5.920 5.838 6.003 0.003 5 0 "[ . 1 . 2]" 1
202 1 12 ILE MG 1 30 HIS HA 5.600 . 6.000 4.151 3.983 4.357 . 0 0 "[ . 1 . 2]" 1
203 1 12 ILE MG 1 30 HIS HB2 3.800 . 5.600 3.395 3.165 3.606 . 0 0 "[ . 1 . 2]" 1
204 1 12 ILE MG 1 30 HIS HD2 3.400 . 4.900 3.595 3.422 3.758 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE MG 1 30 HIS HE1 2.800 . 3.800 3.242 3.127 3.430 . 0 0 "[ . 1 . 2]" 1
206 1 13 CYS H 1 13 CYS HA 2.700 . 3.600 2.926 2.916 2.931 . 0 0 "[ . 1 . 2]" 1
207 1 13 CYS H 1 13 CYS HB2 3.500 . 5.100 3.788 3.761 3.820 . 0 0 "[ . 1 . 2]" 1
208 1 13 CYS H 1 14 LEU H 2.700 . 6.000 3.703 3.649 3.807 . 0 0 "[ . 1 . 2]" 1
209 1 13 CYS H 1 14 LEU HA 3.500 . 5.000 4.650 4.524 4.802 . 0 0 "[ . 1 . 2]" 1
210 1 13 CYS H 1 14 LEU HG 3.000 . 6.000 5.375 5.273 5.480 . 0 0 "[ . 1 . 2]" 1
211 1 13 CYS H 1 30 HIS HE1 4.500 . 6.000 3.864 3.691 4.033 . 0 0 "[ . 1 . 2]" 1
212 1 13 CYS HA 1 13 CYS HB2 2.600 . 3.400 2.435 2.422 2.445 . 0 0 "[ . 1 . 2]" 1
213 1 13 CYS HA 1 14 LEU H 3.600 . 5.200 3.269 3.225 3.297 . 0 0 "[ . 1 . 2]" 1
214 1 13 CYS HA 1 14 LEU HG 4.000 . 6.000 3.780 3.667 3.887 . 0 0 "[ . 1 . 2]" 1
215 1 13 CYS HA 1 15 SER H 5.100 . 6.000 4.980 4.911 5.070 . 0 0 "[ . 1 . 2]" 1
216 1 13 CYS HA 1 30 HIS HE1 4.400 . 6.000 4.211 4.090 4.347 . 0 0 "[ . 1 . 2]" 1
217 1 13 CYS HB2 1 14 LEU H 3.100 . 4.300 2.097 2.014 2.142 . 0 0 "[ . 1 . 2]" 1
218 1 13 CYS HB2 1 15 SER H 5.200 . 6.000 3.915 3.782 4.092 . 0 0 "[ . 1 . 2]" 1
219 1 13 CYS HB2 1 30 HIS HE1 3.600 . 5.200 3.672 3.555 3.841 . 0 0 "[ . 1 . 2]" 1
220 1 14 LEU H 1 14 LEU HB2 3.000 . 4.100 2.976 2.884 3.014 . 0 0 "[ . 1 . 2]" 1
221 1 14 LEU H 1 14 LEU MD1 5.500 . 6.000 4.589 4.487 4.637 . 0 0 "[ . 1 . 2]" 1
222 1 14 LEU H 1 14 LEU MD2 4.700 . 6.000 4.169 4.117 4.216 . 0 0 "[ . 1 . 2]" 1
223 1 14 LEU H 1 14 LEU HG 3.000 . 4.200 3.743 3.622 3.812 . 0 0 "[ . 1 . 2]" 1
224 1 14 LEU HA 1 14 LEU HB2 2.800 . 3.800 3.013 3.006 3.017 . 0 0 "[ . 1 . 2]" 1
225 1 14 LEU HA 1 14 LEU MD1 4.400 . 6.000 3.846 3.831 3.858 . 0 0 "[ . 1 . 2]" 1
226 1 14 LEU HA 1 14 LEU MD2 2.200 . 2.800 1.964 1.845 2.141 . 0 0 "[ . 1 . 2]" 1
227 1 14 LEU HA 1 14 LEU HG 3.500 . 5.000 2.979 2.941 3.006 . 0 0 "[ . 1 . 2]" 1
228 1 14 LEU HB2 1 14 LEU MD1 2.400 . 3.100 2.311 2.201 2.382 . 0 0 "[ . 1 . 2]" 1
229 1 14 LEU HB2 1 14 LEU MD2 3.900 . 5.800 3.178 3.170 3.194 . 0 0 "[ . 1 . 2]" 1
230 1 14 LEU HB2 1 14 LEU HG 2.200 . 2.800 2.477 2.465 2.488 . 0 0 "[ . 1 . 2]" 1
231 1 14 LEU HB2 1 15 SER H 4.300 . 6.000 4.192 4.156 4.246 . 0 0 "[ . 1 . 2]" 1
232 1 14 LEU MD1 1 14 LEU HG 2.300 . 2.900 2.108 2.085 2.131 . 0 0 "[ . 1 . 2]" 1
233 1 14 LEU MD1 1 15 SER H 4.300 . 6.000 5.612 5.591 5.634 . 0 0 "[ . 1 . 2]" 1
234 1 14 LEU MD2 1 15 SER H 3.400 . 4.900 4.456 4.406 4.521 . 0 0 "[ . 1 . 2]" 1
235 1 14 LEU MD2 1 16 ALA HA 2.700 . 6.000 6.044 6.012 6.071 0.071 11 0 "[ . 1 . 2]" 1
236 1 15 SER H 1 15 SER HA 2.400 . 3.100 2.907 2.895 2.926 . 0 0 "[ . 1 . 2]" 1
237 1 15 SER H 1 15 SER HB2 2.300 . 2.900 2.497 2.473 2.536 . 0 0 "[ . 1 . 2]" 1
238 1 15 SER H 1 16 ALA MB 5.100 . 6.000 5.440 5.346 5.513 . 0 0 "[ . 1 . 2]" 1
239 1 15 SER H 1 17 PHE QE 4.900 . 6.000 3.916 3.850 3.999 . 0 0 "[ . 1 . 2]" 1
240 1 15 SER H 1 17 PHE HZ 4.000 . 6.000 5.741 5.587 5.805 . 0 0 "[ . 1 . 2]" 1
241 1 15 SER H 1 26 HIS HD2 3.900 . 5.800 5.747 5.608 5.832 0.032 9 0 "[ . 1 . 2]" 1
242 1 15 SER HA 1 15 SER HB2 2.800 . 3.800 3.032 3.028 3.036 . 0 0 "[ . 1 . 2]" 1
243 1 15 SER HA 1 16 ALA H 2.200 . 2.800 2.179 2.159 2.206 . 0 0 "[ . 1 . 2]" 1
244 1 15 SER HA 1 16 ALA MB 4.500 . 6.000 3.990 3.938 4.046 . 0 0 "[ . 1 . 2]" 1
245 1 15 SER HA 1 17 PHE QE 5.700 . 6.000 4.234 4.126 4.315 . 0 0 "[ . 1 . 2]" 1
246 1 15 SER HB2 1 16 ALA H 3.900 . 5.800 4.251 4.227 4.288 . 0 0 "[ . 1 . 2]" 1
247 1 15 SER HB2 1 17 PHE QD 4.900 . 6.000 3.822 3.674 3.897 . 0 0 "[ . 1 . 2]" 1
248 1 15 SER HB2 1 17 PHE QE 2.400 . 3.100 1.782 1.693 1.847 0.007 6 0 "[ . 1 . 2]" 1
249 1 15 SER HB2 1 17 PHE HZ 3.200 . 4.500 3.262 3.087 3.341 . 0 0 "[ . 1 . 2]" 1
250 1 15 SER HB2 1 26 HIS HD2 5.100 . 6.000 4.536 4.363 4.617 . 0 0 "[ . 1 . 2]" 1
251 1 15 SER HB2 1 26 HIS HE1 3.300 . 4.700 3.866 3.719 4.129 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA H 1 16 ALA HA 3.000 . 4.100 2.914 2.899 2.933 . 0 0 "[ . 1 . 2]" 1
253 1 16 ALA H 1 16 ALA MB 2.400 . 3.100 2.252 2.164 2.329 . 0 0 "[ . 1 . 2]" 1
254 1 16 ALA H 1 17 PHE H 5.000 . 6.000 4.547 4.480 4.578 . 0 0 "[ . 1 . 2]" 1
255 1 16 ALA H 1 17 PHE QE 3.200 . 6.000 4.656 4.527 4.784 . 0 0 "[ . 1 . 2]" 1
256 1 16 ALA HA 1 16 ALA MB 2.100 . 2.600 2.101 2.086 2.127 . 0 0 "[ . 1 . 2]" 1
257 1 16 ALA HA 1 17 PHE H 2.000 . 2.500 2.202 2.158 2.237 . 0 0 "[ . 1 . 2]" 1
258 1 16 ALA HA 1 17 PHE QD 2.500 . 3.300 3.126 3.027 3.269 . 0 0 "[ . 1 . 2]" 1
259 1 16 ALA MB 1 17 PHE H 2.800 . 3.800 3.008 2.884 3.149 . 0 0 "[ . 1 . 2]" 1
260 1 16 ALA MB 1 17 PHE QD 3.600 . 5.300 4.363 4.282 4.438 . 0 0 "[ . 1 . 2]" 1
261 1 16 ALA MB 1 17 PHE QE 6.000 . 6.000 5.355 5.264 5.470 . 0 0 "[ . 1 . 2]" 1
262 1 16 ALA MB 1 18 THR H 4.100 . 6.000 5.327 5.179 5.488 . 0 0 "[ . 1 . 2]" 1
263 1 17 PHE H 1 17 PHE HB2 2.900 . 3.900 2.761 2.631 2.878 . 0 0 "[ . 1 . 2]" 1
264 1 17 PHE H 1 17 PHE QD 2.300 . 3.000 2.625 2.305 2.810 . 0 0 "[ . 1 . 2]" 1
265 1 17 PHE H 1 17 PHE QE 4.400 . 6.000 4.821 4.570 4.972 . 0 0 "[ . 1 . 2]" 1
266 1 17 PHE H 1 18 THR H 5.000 . 6.000 4.416 4.343 4.499 . 0 0 "[ . 1 . 2]" 1
267 1 17 PHE HA 1 17 PHE HB2 2.900 . 4.000 3.028 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
268 1 17 PHE HA 1 17 PHE QD 2.500 . 3.300 3.191 3.151 3.243 . 0 0 "[ . 1 . 2]" 1
269 1 17 PHE HA 1 17 PHE QE 4.600 . 6.000 4.774 4.706 4.846 . 0 0 "[ . 1 . 2]" 1
270 1 17 PHE HA 1 18 THR H 2.100 . 2.700 2.252 2.172 2.340 . 0 0 "[ . 1 . 2]" 1
271 1 17 PHE HA 1 18 THR MG 4.000 . 6.000 3.784 3.580 3.995 . 0 0 "[ . 1 . 2]" 1
272 1 17 PHE HA 1 19 THR H 5.200 . 6.000 4.231 3.983 4.573 . 0 0 "[ . 1 . 2]" 1
273 1 17 PHE HB2 1 17 PHE QD 2.400 . 3.100 2.548 2.511 2.601 . 0 0 "[ . 1 . 2]" 1
274 1 17 PHE HB2 1 17 PHE QE 4.700 . 6.000 4.446 4.423 4.467 . 0 0 "[ . 1 . 2]" 1
275 1 17 PHE HB2 1 18 THR H 3.400 . 4.800 3.842 3.712 3.975 . 0 0 "[ . 1 . 2]" 1
276 1 17 PHE HB2 1 18 THR MG 5.600 . 6.000 5.585 5.470 5.744 . 0 0 "[ . 1 . 2]" 1
277 1 17 PHE HB2 1 22 ASN HB2 4.100 . 6.000 3.199 3.034 3.361 . 0 0 "[ . 1 . 2]" 1
278 1 17 PHE HB2 1 22 ASN HD21 6.000 . 6.000 4.370 4.206 4.515 . 0 0 "[ . 1 . 2]" 1
279 1 17 PHE HB2 1 22 ASN HD22 5.500 . 6.000 6.037 5.933 6.097 0.097 15 0 "[ . 1 . 2]" 1
280 1 17 PHE HB2 1 23 CYS H 4.100 . 6.000 3.395 3.094 3.571 . 0 0 "[ . 1 . 2]" 1
281 1 17 PHE QD 1 18 THR H 4.000 . 6.000 4.090 3.970 4.267 . 0 0 "[ . 1 . 2]" 1
282 1 17 PHE QD 1 18 THR MG 6.000 . 6.000 5.454 5.144 5.759 . 0 0 "[ . 1 . 2]" 1
283 1 17 PHE QD 1 22 ASN H 6.000 . 6.000 4.909 4.672 5.078 . 0 0 "[ . 1 . 2]" 1
284 1 17 PHE QD 1 23 CYS HA 2.400 . 6.000 3.649 3.391 3.809 . 0 0 "[ . 1 . 2]" 1
285 1 17 PHE QD 1 23 CYS HB2 3.200 . 4.500 3.613 3.324 3.780 . 0 0 "[ . 1 . 2]" 1
286 1 17 PHE QE 1 26 HIS HB2 3.200 . 4.500 2.974 2.774 3.168 . 0 0 "[ . 1 . 2]" 1
287 1 17 PHE HZ 1 26 HIS HA 5.400 . 6.000 4.643 4.538 4.754 . 0 0 "[ . 1 . 2]" 1
288 1 17 PHE HZ 1 26 HIS HB2 2.900 . 3.900 2.878 2.743 3.005 . 0 0 "[ . 1 . 2]" 1
289 1 17 PHE HZ 1 26 HIS HD2 3.800 . 5.600 4.405 4.159 4.611 . 0 0 "[ . 1 . 2]" 1
290 1 17 PHE HZ 1 26 HIS HE1 3.700 . 5.400 3.717 3.542 3.951 . 0 0 "[ . 1 . 2]" 1
291 1 18 THR H 1 18 THR HA 2.700 . 3.600 2.811 2.762 2.865 . 0 0 "[ . 1 . 2]" 1
292 1 18 THR H 1 18 THR HB 3.600 . 5.200 3.589 3.562 3.618 . 0 0 "[ . 1 . 2]" 1
293 1 18 THR H 1 18 THR MG 2.300 . 3.000 2.391 2.140 2.559 . 0 0 "[ . 1 . 2]" 1
294 1 18 THR H 1 19 THR H 2.900 . 4.000 2.730 2.559 2.933 . 0 0 "[ . 1 . 2]" 1
295 1 18 THR H 1 22 ASN HD21 4.100 . 6.000 3.074 2.857 3.542 . 0 0 "[ . 1 . 2]" 1
296 1 18 THR H 1 22 ASN HD22 4.400 . 6.000 4.232 4.007 4.690 . 0 0 "[ . 1 . 2]" 1
297 1 18 THR HA 1 19 THR MG 3.000 . 4.200 2.799 2.527 3.096 . 0 0 "[ . 1 . 2]" 1
298 1 18 THR HA 1 18 THR MG 2.900 . 3.900 2.274 2.144 2.384 . 0 0 "[ . 1 . 2]" 1
299 1 18 THR HA 1 19 THR H 3.000 . 4.100 3.538 3.502 3.577 . 0 0 "[ . 1 . 2]" 1
300 1 18 THR HA 1 22 ASN HD21 6.000 . 6.000 4.979 4.763 5.420 . 0 0 "[ . 1 . 2]" 1
301 1 18 THR HB 1 19 THR H 3.700 . 5.400 3.502 3.074 3.723 . 0 0 "[ . 1 . 2]" 1
302 1 18 THR HB 1 22 ASN HD21 6.000 . 6.000 4.524 4.151 4.898 . 0 0 "[ . 1 . 2]" 1
303 1 18 THR MG 1 19 THR H 3.900 . 5.800 3.947 3.803 4.050 . 0 0 "[ . 1 . 2]" 1
304 1 18 THR MG 1 22 ASN HD21 6.000 . 6.000 4.265 3.935 4.673 . 0 0 "[ . 1 . 2]" 1
305 1 19 THR H 1 19 THR HA 2.400 . 3.100 2.934 2.915 2.944 . 0 0 "[ . 1 . 2]" 1
306 1 19 THR H 1 19 THR HB 3.900 . 5.800 3.766 3.684 3.858 . 0 0 "[ . 1 . 2]" 1
307 1 19 THR H 1 19 THR HG1 3.400 . 4.800 3.231 2.650 3.614 . 0 0 "[ . 1 . 2]" 1
308 1 19 THR H 1 19 THR MG 2.400 . 3.100 2.768 2.472 3.066 . 0 0 "[ . 1 . 2]" 1
309 1 19 THR HA 1 19 THR HB 2.400 . 3.100 2.453 2.405 2.479 . 0 0 "[ . 1 . 2]" 1
310 1 19 THR HA 1 19 THR MG 2.300 . 2.900 2.380 2.282 2.459 . 0 0 "[ . 1 . 2]" 1
311 1 19 THR HA 1 20 LYS H 1.800 . 2.200 2.240 2.211 2.279 0.079 12 0 "[ . 1 . 2]" 1
312 1 19 THR HA 1 20 LYS HA 4.200 . 6.000 4.367 4.320 4.416 . 0 0 "[ . 1 . 2]" 1
313 1 19 THR HA 1 20 LYS HB2 5.000 . 6.000 4.687 4.550 4.876 . 0 0 "[ . 1 . 2]" 1
314 1 19 THR HA 1 21 ALA H 3.700 . 5.400 3.866 3.631 4.016 . 0 0 "[ . 1 . 2]" 1
315 1 19 THR HA 1 22 ASN H 5.600 . 6.000 4.584 4.409 4.666 . 0 0 "[ . 1 . 2]" 1
316 1 19 THR HB 1 19 THR MG 2.100 . 2.700 2.113 2.088 2.134 . 0 0 "[ . 1 . 2]" 1
317 1 19 THR HB 1 20 LYS H 2.200 . 2.800 2.670 2.544 2.815 0.015 14 0 "[ . 1 . 2]" 1
318 1 19 THR HB 1 20 LYS HA 5.100 . 6.000 4.854 4.746 4.949 . 0 0 "[ . 1 . 2]" 1
319 1 19 THR HB 1 20 LYS HB2 4.000 . 6.000 3.976 3.858 4.048 . 0 0 "[ . 1 . 2]" 1
320 1 19 THR HB 1 21 ALA H 2.600 . 3.400 2.405 2.196 2.640 . 0 0 "[ . 1 . 2]" 1
321 1 19 THR HB 1 21 ALA MB 3.400 . 4.800 2.606 2.234 3.096 . 0 0 "[ . 1 . 2]" 1
322 1 19 THR HG1 1 19 THR MG 2.600 . 3.400 2.027 1.841 2.172 . 0 0 "[ . 1 . 2]" 1
323 1 19 THR HG1 1 20 LYS H 4.700 . 6.000 4.853 4.729 4.955 . 0 0 "[ . 1 . 2]" 1
324 1 19 THR HG1 1 21 ALA H 3.300 . 4.700 3.916 3.566 4.288 . 0 0 "[ . 1 . 2]" 1
325 1 19 THR HG1 1 21 ALA MB 3.100 . 4.300 2.863 2.249 3.481 . 0 0 "[ . 1 . 2]" 1
326 1 19 THR HG1 1 22 ASN H 2.400 . 3.100 3.019 2.516 3.167 0.067 5 0 "[ . 1 . 2]" 1
327 1 19 THR HG1 1 22 ASN HB2 4.900 . 6.000 4.029 3.453 4.286 . 0 0 "[ . 1 . 2]" 1
328 1 19 THR HG1 1 22 ASN HD21 3.100 . 4.300 2.834 2.428 3.270 . 0 0 "[ . 1 . 2]" 1
329 1 19 THR HG1 1 23 CYS H 5.500 . 6.000 5.364 4.980 5.563 . 0 0 "[ . 1 . 2]" 1
330 1 19 THR MG 1 20 LYS H 3.800 . 5.600 3.771 3.678 3.958 . 0 0 "[ . 1 . 2]" 1
331 1 19 THR MG 1 22 ASN H 4.900 . 6.000 4.234 3.913 4.391 . 0 0 "[ . 1 . 2]" 1
332 1 19 THR MG 1 22 ASN HD21 3.400 . 4.900 3.456 3.186 3.615 . 0 0 "[ . 1 . 2]" 1
333 1 19 THR MG 1 23 CYS H 6.000 . 6.000 5.829 5.629 6.031 0.031 1 0 "[ . 1 . 2]" 1
334 1 20 LYS H 1 20 LYS HA 2.400 . 3.100 2.814 2.783 2.839 . 0 0 "[ . 1 . 2]" 1
335 1 20 LYS H 1 20 LYS HB2 2.200 . 2.800 2.471 2.302 2.647 . 0 0 "[ . 1 . 2]" 1
336 1 20 LYS H 1 21 ALA H 2.300 . 3.000 2.525 2.361 2.667 . 0 0 "[ . 1 . 2]" 1
337 1 20 LYS H 1 21 ALA HA 3.600 . 5.200 5.095 4.933 5.201 0.001 1 0 "[ . 1 . 2]" 1
338 1 20 LYS H 1 23 CYS H 5.700 . 6.000 4.898 4.582 5.059 . 0 0 "[ . 1 . 2]" 1
339 1 20 LYS H 1 24 ALA H 4.300 . 6.000 4.604 4.458 4.856 . 0 0 "[ . 1 . 2]" 1
340 1 20 LYS HA 1 21 ALA H 3.300 . 4.600 3.464 3.421 3.491 . 0 0 "[ . 1 . 2]" 1
341 1 20 LYS HB2 1 21 ALA H 2.300 . 3.000 2.670 2.485 2.984 . 0 0 "[ . 1 . 2]" 1
342 1 20 LYS HB2 1 24 ALA H 3.100 . 6.000 5.405 5.207 5.605 . 0 0 "[ . 1 . 2]" 1
343 1 20 LYS HG2 1 21 ALA HA 4.600 . 6.000 6.284 6.117 6.371 0.371 3 0 "[ . 1 . 2]" 1
344 1 21 ALA H 1 21 ALA HA 2.500 . 3.300 2.739 2.718 2.762 . 0 0 "[ . 1 . 2]" 1
345 1 21 ALA H 1 21 ALA MB 2.000 . 2.500 2.064 1.970 2.220 . 0 0 "[ . 1 . 2]" 1
346 1 21 ALA H 1 22 ASN H 2.700 . 3.600 2.816 2.734 2.882 . 0 0 "[ . 1 . 2]" 1
347 1 21 ALA H 1 23 CYS H 4.600 . 6.000 4.163 3.975 4.289 . 0 0 "[ . 1 . 2]" 1
348 1 21 ALA HA 1 21 ALA MB 2.100 . 2.700 2.101 2.086 2.127 . 0 0 "[ . 1 . 2]" 1
349 1 21 ALA HA 1 22 ASN H 3.300 . 4.600 3.555 3.543 3.575 . 0 0 "[ . 1 . 2]" 1
350 1 21 ALA HA 1 23 CYS H 3.900 . 5.800 4.522 4.419 4.643 . 0 0 "[ . 1 . 2]" 1
351 1 21 ALA MB 1 22 ASN H 2.800 . 3.800 2.652 2.498 2.748 . 0 0 "[ . 1 . 2]" 1
352 1 21 ALA MB 1 23 CYS H 5.100 . 6.000 4.530 4.386 4.601 . 0 0 "[ . 1 . 2]" 1
353 1 22 ASN H 1 22 ASN HA 2.500 . 3.300 2.857 2.844 2.895 . 0 0 "[ . 1 . 2]" 1
354 1 22 ASN H 1 22 ASN HB2 2.800 . 3.800 2.479 2.364 2.559 . 0 0 "[ . 1 . 2]" 1
355 1 22 ASN H 1 22 ASN HD21 3.900 . 5.800 3.259 2.989 3.517 . 0 0 "[ . 1 . 2]" 1
356 1 22 ASN H 1 22 ASN HD22 3.600 . 5.200 4.026 3.871 4.210 . 0 0 "[ . 1 . 2]" 1
357 1 22 ASN H 1 23 CYS H 2.400 . 3.100 2.585 2.449 2.660 . 0 0 "[ . 1 . 2]" 1
358 1 22 ASN H 1 24 ALA H 3.900 . 5.800 4.112 4.019 4.293 . 0 0 "[ . 1 . 2]" 1
359 1 22 ASN H 1 24 ALA MB 3.200 . 6.000 4.778 4.615 5.037 . 0 0 "[ . 1 . 2]" 1
360 1 22 ASN HA 1 22 ASN HD21 3.900 . 5.800 4.319 4.184 4.403 . 0 0 "[ . 1 . 2]" 1
361 1 22 ASN HA 1 22 ASN HD22 4.000 . 6.000 4.589 4.467 4.689 . 0 0 "[ . 1 . 2]" 1
362 1 22 ASN HA 1 23 CYS H 3.100 . 4.300 3.532 3.518 3.551 . 0 0 "[ . 1 . 2]" 1
363 1 22 ASN HA 1 25 ARG H 3.200 . 4.500 3.675 3.414 3.913 . 0 0 "[ . 1 . 2]" 1
364 1 22 ASN HA 1 25 ARG HB2 4.000 . 6.000 5.155 4.925 5.512 . 0 0 "[ . 1 . 2]" 1
365 1 22 ASN HA 1 25 ARG HE 2.900 . 4.000 2.453 1.988 2.922 . 0 0 "[ . 1 . 2]" 1
366 1 22 ASN HA 1 25 ARG HG2 3.200 . 4.500 2.371 2.041 3.095 . 0 0 "[ . 1 . 2]" 1
367 1 22 ASN HB2 1 22 ASN HD21 2.600 . 3.400 2.118 2.099 2.145 . 0 0 "[ . 1 . 2]" 1
368 1 22 ASN HB2 1 22 ASN HD22 3.500 . 5.100 3.431 3.415 3.450 . 0 0 "[ . 1 . 2]" 1
369 1 22 ASN HB2 1 23 CYS H 2.600 . 3.400 2.642 2.552 2.736 . 0 0 "[ . 1 . 2]" 1
370 1 22 ASN HB2 1 25 ARG HE 4.100 . 6.000 4.561 4.321 4.731 . 0 0 "[ . 1 . 2]" 1
371 1 22 ASN HD22 1 23 CYS H 2.600 . 6.000 5.785 5.639 5.955 . 0 0 "[ . 1 . 2]" 1
372 1 23 CYS H 1 23 CYS HA 2.600 . 3.500 2.804 2.784 2.821 . 0 0 "[ . 1 . 2]" 1
373 1 23 CYS H 1 23 CYS HB2 2.600 . 3.400 2.507 2.459 2.537 . 0 0 "[ . 1 . 2]" 1
374 1 23 CYS H 1 24 ALA H 2.400 . 3.100 2.699 2.642 2.812 . 0 0 "[ . 1 . 2]" 1
375 1 23 CYS H 1 24 ALA MB 6.000 . 6.000 4.284 4.198 4.376 . 0 0 "[ . 1 . 2]" 1
376 1 23 CYS H 1 25 ARG H 4.200 . 6.000 4.456 4.358 4.641 . 0 0 "[ . 1 . 2]" 1
377 1 23 CYS H 1 26 HIS H 2.600 . 6.000 4.784 4.650 4.986 . 0 0 "[ . 1 . 2]" 1
378 1 23 CYS HA 1 23 CYS HB2 2.700 . 3.600 2.464 2.447 2.481 . 0 0 "[ . 1 . 2]" 1
379 1 23 CYS HA 1 23 CYS HG 4.400 . 6.000 3.248 2.671 4.162 . 0 0 "[ . 1 . 2]" 1
380 1 23 CYS HA 1 24 ALA H 3.300 . 4.700 3.535 3.525 3.559 . 0 0 "[ . 1 . 2]" 1
381 1 23 CYS HA 1 25 ARG H 4.700 . 6.000 4.611 4.476 4.682 . 0 0 "[ . 1 . 2]" 1
382 1 23 CYS HB2 1 24 ALA H 3.600 . 5.200 3.899 3.795 3.948 . 0 0 "[ . 1 . 2]" 1
383 1 24 ALA H 1 24 ALA HA 2.400 . 3.100 2.791 2.776 2.808 . 0 0 "[ . 1 . 2]" 1
384 1 24 ALA H 1 24 ALA MB 2.400 . 3.100 2.096 2.016 2.224 . 0 0 "[ . 1 . 2]" 1
385 1 24 ALA H 1 25 ARG H 2.600 . 3.400 2.844 2.794 2.900 . 0 0 "[ . 1 . 2]" 1
386 1 24 ALA H 1 26 HIS H 3.700 . 5.400 4.015 3.874 4.100 . 0 0 "[ . 1 . 2]" 1
387 1 24 ALA HA 1 24 ALA MB 2.000 . 2.500 2.097 2.076 2.127 . 0 0 "[ . 1 . 2]" 1
388 1 24 ALA HA 1 25 ARG H 3.400 . 4.900 3.575 3.549 3.588 . 0 0 "[ . 1 . 2]" 1
389 1 24 ALA HA 1 26 HIS H 4.400 . 6.000 4.349 4.206 4.439 . 0 0 "[ . 1 . 2]" 1
390 1 24 ALA HA 1 27 LEU HB2 2.900 . 3.900 3.272 2.946 3.614 . 0 0 "[ . 1 . 2]" 1
391 1 24 ALA HA 1 27 LEU QD 3.100 . 4.300 3.462 2.199 3.855 . 0 0 "[ . 1 . 2]" 1
392 1 24 ALA HA 1 27 LEU HG 4.100 . 6.000 5.613 3.997 6.013 0.013 4 0 "[ . 1 . 2]" 1
393 1 24 ALA MB 1 25 ARG H 2.400 . 3.100 2.522 2.385 2.625 . 0 0 "[ . 1 . 2]" 1
394 1 24 ALA MB 1 25 ARG HA 4.200 . 6.000 3.742 3.665 3.851 . 0 0 "[ . 1 . 2]" 1
395 1 24 ALA MB 1 25 ARG HE 5.900 . 6.000 4.279 4.213 4.357 . 0 0 "[ . 1 . 2]" 1
396 1 25 ARG H 1 25 ARG HA 2.600 . 3.400 2.842 2.830 2.857 . 0 0 "[ . 1 . 2]" 1
397 1 25 ARG H 1 25 ARG HB2 3.100 . 4.300 3.640 3.623 3.653 . 0 0 "[ . 1 . 2]" 1
398 1 25 ARG H 1 25 ARG HG2 2.600 . 3.500 2.332 2.129 3.510 0.010 4 0 "[ . 1 . 2]" 1
399 1 25 ARG H 1 26 HIS H 2.500 . 3.300 2.536 2.484 2.595 . 0 0 "[ . 1 . 2]" 1
400 1 25 ARG H 1 26 HIS HA 5.800 . 6.000 5.181 5.135 5.229 . 0 0 "[ . 1 . 2]" 1
401 1 25 ARG H 1 26 HIS HB2 4.600 . 6.000 5.029 4.921 5.124 . 0 0 "[ . 1 . 2]" 1
402 1 25 ARG H 1 27 LEU H 4.600 . 6.000 4.213 4.089 4.333 . 0 0 "[ . 1 . 2]" 1
403 1 25 ARG HA 1 25 ARG HB2 2.400 . 3.100 2.437 2.410 2.477 . 0 0 "[ . 1 . 2]" 1
404 1 25 ARG HA 1 25 ARG HG2 3.200 . 4.500 3.832 3.741 4.252 . 0 0 "[ . 1 . 2]" 1
405 1 25 ARG HA 1 26 HIS H 3.100 . 4.300 3.480 3.452 3.500 . 0 0 "[ . 1 . 2]" 1
406 1 25 ARG HA 1 28 LYS H 3.700 . 5.400 4.146 3.943 4.390 . 0 0 "[ . 1 . 2]" 1
407 1 25 ARG HB2 1 26 HIS H 4.200 . 6.000 3.885 3.786 3.998 . 0 0 "[ . 1 . 2]" 1
408 1 25 ARG HE 1 25 ARG HG2 3.900 . 5.800 2.563 2.457 2.669 . 0 0 "[ . 1 . 2]" 1
409 1 25 ARG HE 1 26 HIS HA 4.200 . 6.000 5.318 4.998 5.642 . 0 0 "[ . 1 . 2]" 1
410 1 25 ARG HE 1 26 HIS HB2 3.300 . 4.700 4.604 4.250 4.774 0.074 1 0 "[ . 1 . 2]" 1
411 1 25 ARG HG2 1 26 HIS H 4.700 . 6.000 2.876 2.519 4.296 . 0 0 "[ . 1 . 2]" 1
412 1 26 HIS H 1 26 HIS HB2 3.500 . 5.100 2.671 2.618 2.723 . 0 0 "[ . 1 . 2]" 1
413 1 26 HIS H 1 26 HIS HD2 4.300 . 6.000 4.823 4.765 4.922 . 0 0 "[ . 1 . 2]" 1
414 1 26 HIS H 1 27 LEU H 2.400 . 3.100 2.684 2.624 2.745 . 0 0 "[ . 1 . 2]" 1
415 1 26 HIS H 1 27 LEU HA 5.100 . 6.000 5.184 5.139 5.255 . 0 0 "[ . 1 . 2]" 1
416 1 26 HIS H 1 27 LEU HB2 5.000 . 6.000 4.810 4.650 4.901 . 0 0 "[ . 1 . 2]" 1
417 1 26 HIS H 1 27 LEU MD1 5.000 . 6.000 6.034 5.859 6.066 0.066 16 0 "[ . 1 . 2]" 1
418 1 26 HIS HA 1 26 HIS HB2 2.400 . 3.100 2.381 2.366 2.398 . 0 0 "[ . 1 . 2]" 1
419 1 26 HIS HA 1 26 HIS HD2 4.600 . 6.000 4.580 4.503 4.622 . 0 0 "[ . 1 . 2]" 1
420 1 26 HIS HA 1 27 LEU H 3.600 . 5.200 3.525 3.514 3.540 . 0 0 "[ . 1 . 2]" 1
421 1 26 HIS HA 1 29 VAL H 4.000 . 6.000 4.097 3.893 4.253 . 0 0 "[ . 1 . 2]" 1
422 1 26 HIS HA 1 29 VAL MG1 3.000 . 4.100 3.186 2.743 3.603 . 0 0 "[ . 1 . 2]" 1
423 1 26 HIS HA 1 29 VAL MG2 3.600 . 5.200 3.792 3.537 4.080 . 0 0 "[ . 1 . 2]" 1
424 1 26 HIS HB2 1 26 HIS HD2 3.400 . 4.800 3.782 3.765 3.822 . 0 0 "[ . 1 . 2]" 1
425 1 26 HIS HB2 1 27 LEU H 3.600 . 5.200 3.897 3.819 3.989 . 0 0 "[ . 1 . 2]" 1
426 1 26 HIS HD2 1 27 LEU H 3.900 . 5.800 3.488 3.340 3.579 . 0 0 "[ . 1 . 2]" 1
427 1 26 HIS HD2 1 27 LEU HA 2.700 . 3.600 2.977 2.655 3.244 . 0 0 "[ . 1 . 2]" 1
428 1 26 HIS HD2 1 27 LEU HB2 3.800 . 5.600 4.088 3.844 5.132 . 0 0 "[ . 1 . 2]" 1
429 1 26 HIS HD2 1 27 LEU MD1 3.100 . 4.300 3.582 3.332 3.841 . 0 0 "[ . 1 . 2]" 1
430 1 26 HIS HD2 1 27 LEU HG 4.900 . 6.000 5.875 5.345 6.044 0.044 14 0 "[ . 1 . 2]" 1
431 1 26 HIS HD2 1 29 VAL MG1 4.700 . 6.000 5.458 5.133 5.729 . 0 0 "[ . 1 . 2]" 1
432 1 26 HIS HD2 1 29 VAL MG2 4.000 . 6.000 4.096 3.997 4.181 . 0 0 "[ . 1 . 2]" 1
433 1 26 HIS HD2 1 30 HIS HD2 2.700 . 3.600 3.726 3.662 3.796 0.196 16 0 "[ . 1 . 2]" 1
434 1 26 HIS HE1 1 30 HIS HD2 3.900 . 5.800 5.169 5.104 5.236 . 0 0 "[ . 1 . 2]" 1
435 1 26 HIS HE1 1 30 HIS HE1 3.700 . 5.400 4.365 4.254 4.511 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU H 1 27 LEU HA 2.500 . 3.300 2.675 2.650 2.689 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU H 1 27 LEU HB2 2.300 . 3.000 2.347 2.265 2.380 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU H 1 27 LEU MD1 4.300 . 6.000 3.815 3.687 3.901 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU H 1 27 LEU HG 3.900 . 5.800 4.517 3.951 4.569 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU H 1 28 LYS H 2.800 . 3.800 3.035 2.987 3.125 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU H 1 29 VAL MG1 3.700 . 5.400 5.131 4.813 5.397 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU H 1 29 VAL MG2 3.800 . 5.600 4.696 4.555 4.792 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU H 1 30 HIS HD2 3.200 . 6.000 5.222 5.076 5.378 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU HA 1 27 LEU HB2 2.900 . 4.000 2.483 2.437 2.952 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU HA 1 27 LEU QD 2.500 . 3.300 1.981 1.782 2.149 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU HA 1 27 LEU HG 3.500 . 5.000 3.139 3.086 3.641 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU HA 1 28 LYS H 3.200 . 4.500 3.526 3.503 3.550 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU HA 1 31 THR MG 4.600 . 6.000 4.045 2.029 5.725 . 0 0 "[ . 1 . 2]" 1
449 1 27 LEU HA 1 30 HIS HD2 2.300 . 2.900 2.664 2.522 2.832 . 0 0 "[ . 1 . 2]" 1
450 1 27 LEU HB2 1 27 LEU QD 2.300 . 3.000 2.109 2.038 2.306 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU HB2 1 30 HIS HD2 5.100 . 6.000 4.833 4.572 5.523 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU MD1 1 28 LYS H 4.200 . 6.000 4.541 4.482 4.646 . 0 0 "[ . 1 . 2]" 1
453 1 27 LEU MD1 1 30 HIS HB2 4.000 . 6.000 3.039 2.455 3.735 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU MD1 1 30 HIS HD2 2.900 . 3.900 2.493 2.344 2.608 . 0 0 "[ . 1 . 2]" 1
455 1 27 LEU MD1 1 30 HIS HE1 4.200 . 6.000 5.996 5.852 6.049 0.049 16 0 "[ . 1 . 2]" 1
456 1 27 LEU HG 1 30 HIS HD2 5.400 . 6.000 4.480 4.290 5.420 . 0 0 "[ . 1 . 2]" 1
457 1 27 LEU HG 1 31 THR MG 3.300 . 4.700 3.858 2.711 4.786 0.086 18 0 "[ . 1 . 2]" 1
458 1 28 LYS H 1 28 LYS HA 2.500 . 3.300 2.750 2.728 2.779 . 0 0 "[ . 1 . 2]" 1
459 1 28 LYS H 1 28 LYS HB2 3.400 . 4.800 3.610 3.581 3.631 . 0 0 "[ . 1 . 2]" 1
460 1 28 LYS H 1 28 LYS HG2 2.300 . 3.000 2.267 2.120 2.372 . 0 0 "[ . 1 . 2]" 1
461 1 28 LYS H 1 29 VAL H 2.800 . 3.700 2.892 2.812 2.940 . 0 0 "[ . 1 . 2]" 1
462 1 28 LYS H 1 29 VAL MG1 4.600 . 6.000 4.206 4.025 4.340 . 0 0 "[ . 1 . 2]" 1
463 1 28 LYS H 1 29 VAL MG2 4.500 . 6.000 4.376 4.164 4.501 . 0 0 "[ . 1 . 2]" 1
464 1 28 LYS H 1 30 HIS H 3.700 . 5.400 4.581 4.506 4.687 . 0 0 "[ . 1 . 2]" 1
465 1 28 LYS HA 1 28 LYS HB2 2.600 . 3.400 2.439 2.420 2.468 . 0 0 "[ . 1 . 2]" 1
466 1 28 LYS HA 1 28 LYS HG2 3.500 . 5.100 3.765 3.695 3.825 . 0 0 "[ . 1 . 2]" 1
467 1 28 LYS HA 1 29 VAL H 3.100 . 4.300 3.514 3.475 3.549 . 0 0 "[ . 1 . 2]" 1
468 1 28 LYS HA 1 30 HIS H 3.600 . 5.200 4.052 3.872 4.259 . 0 0 "[ . 1 . 2]" 1
469 1 28 LYS HA 1 31 THR MG 3.600 . 5.200 2.918 1.973 4.655 0.027 20 0 "[ . 1 . 2]" 1
470 1 28 LYS HA 1 32 ASP H 3.500 . 5.000 4.351 3.108 5.218 0.218 20 0 "[ . 1 . 2]" 1
471 1 28 LYS HB2 1 29 VAL H 4.300 . 6.000 3.951 3.827 4.102 . 0 0 "[ . 1 . 2]" 1
472 1 28 LYS HG2 1 29 VAL H 4.300 . 6.000 2.907 2.666 3.205 . 0 0 "[ . 1 . 2]" 1
473 1 29 VAL H 1 29 VAL HA 2.400 . 3.100 2.779 2.746 2.816 . 0 0 "[ . 1 . 2]" 1
474 1 29 VAL H 1 29 VAL HB 3.100 . 4.300 3.652 3.630 3.685 . 0 0 "[ . 1 . 2]" 1
475 1 29 VAL H 1 29 VAL MG1 2.500 . 3.300 2.070 1.939 2.258 . 0 0 "[ . 1 . 2]" 1
476 1 29 VAL H 1 29 VAL MG2 2.500 . 3.300 2.382 2.212 2.564 . 0 0 "[ . 1 . 2]" 1
477 1 29 VAL H 1 30 HIS H 2.400 . 3.100 2.783 2.685 2.859 . 0 0 "[ . 1 . 2]" 1
478 1 29 VAL HA 1 29 VAL HB 2.300 . 2.900 2.423 2.402 2.460 . 0 0 "[ . 1 . 2]" 1
479 1 29 VAL HA 1 29 VAL MG1 2.300 . 3.000 2.409 2.334 2.471 . 0 0 "[ . 1 . 2]" 1
480 1 29 VAL HA 1 29 VAL MG2 3.000 . 4.100 3.212 3.201 3.224 . 0 0 "[ . 1 . 2]" 1
481 1 29 VAL HA 1 30 HIS H 2.900 . 3.900 3.517 3.490 3.540 . 0 0 "[ . 1 . 2]" 1
482 1 29 VAL HB 1 29 VAL MG1 2.100 . 2.600 2.099 2.072 2.123 . 0 0 "[ . 1 . 2]" 1
483 1 29 VAL HB 1 29 VAL MG2 2.200 . 2.800 2.097 2.077 2.122 . 0 0 "[ . 1 . 2]" 1
484 1 29 VAL HB 1 30 HIS H 4.000 . 6.000 3.846 3.718 3.958 . 0 0 "[ . 1 . 2]" 1
485 1 29 VAL HB 1 30 HIS HD2 5.700 . 6.000 6.018 5.987 6.065 0.065 12 0 "[ . 1 . 2]" 1
486 1 29 VAL MG1 1 29 VAL MG2 2.400 . 3.100 1.995 1.857 2.081 . 0 0 "[ . 1 . 2]" 1
487 1 29 VAL MG1 1 30 HIS H 4.200 . 6.000 3.910 3.860 3.956 . 0 0 "[ . 1 . 2]" 1
488 1 29 VAL MG1 1 30 HIS HA 4.500 . 6.000 5.414 5.359 5.474 . 0 0 "[ . 1 . 2]" 1
489 1 29 VAL MG1 1 30 HIS HD2 4.300 . 6.000 5.428 5.270 5.605 . 0 0 "[ . 1 . 2]" 1
490 1 29 VAL MG1 1 30 HIS HE1 4.800 . 6.000 6.052 5.907 6.111 0.111 12 0 "[ . 1 . 2]" 1
491 1 29 VAL MG1 1 33 THR HA 4.900 . 6.000 5.817 5.226 6.149 0.149 3 0 "[ . 1 . 2]" 1
492 1 29 VAL MG2 1 30 HIS H 2.500 . 3.300 1.943 1.724 2.182 . 0 0 "[ . 1 . 2]" 1
493 1 29 VAL MG2 1 30 HIS HA 4.100 . 6.000 3.338 3.115 3.502 . 0 0 "[ . 1 . 2]" 1
494 1 29 VAL MG2 1 30 HIS HD2 3.400 . 4.900 3.108 3.022 3.196 . 0 0 "[ . 1 . 2]" 1
495 1 29 VAL MG2 1 30 HIS HE1 3.000 . 4.100 3.594 3.418 3.661 . 0 0 "[ . 1 . 2]" 1
496 1 29 VAL MG2 1 34 LEU MD1 3.300 . 4.600 4.016 2.345 4.805 0.205 18 0 "[ . 1 . 2]" 1
497 1 30 HIS H 1 30 HIS HA 2.700 . 3.600 2.872 2.852 2.892 . 0 0 "[ . 1 . 2]" 1
498 1 30 HIS H 1 30 HIS HB2 2.600 . 3.400 2.459 2.383 2.541 . 0 0 "[ . 1 . 2]" 1
499 1 30 HIS H 1 30 HIS HD2 2.900 . 3.900 3.276 3.185 3.377 . 0 0 "[ . 1 . 2]" 1
500 1 30 HIS H 1 31 THR H 2.500 . 3.300 2.966 2.450 3.351 0.051 5 0 "[ . 1 . 2]" 1
501 1 30 HIS H 1 31 THR HA 5.500 . 6.000 5.374 5.093 5.588 . 0 0 "[ . 1 . 2]" 1
502 1 30 HIS H 1 31 THR HB 4.900 . 6.000 5.364 4.925 6.077 0.077 6 0 "[ . 1 . 2]" 1
503 1 30 HIS H 1 31 THR MG 4.600 . 6.000 3.936 3.562 5.834 . 0 0 "[ . 1 . 2]" 1
504 1 30 HIS H 1 32 ASP H 4.300 . 6.000 4.354 3.913 4.629 . 0 0 "[ . 1 . 2]" 1
505 1 30 HIS HA 1 30 HIS HB2 3.000 . 4.100 3.021 3.007 3.026 . 0 0 "[ . 1 . 2]" 1
506 1 30 HIS HA 1 30 HIS HD2 4.200 . 6.000 4.630 4.573 4.675 . 0 0 "[ . 1 . 2]" 1
507 1 30 HIS HA 1 30 HIS HE1 4.700 . 6.000 4.886 4.798 4.979 . 0 0 "[ . 1 . 2]" 1
508 1 30 HIS HA 1 31 THR H 2.600 . 3.500 3.051 2.645 3.561 0.061 8 0 "[ . 1 . 2]" 1
509 1 30 HIS HA 1 31 THR MG 5.200 . 6.000 4.704 4.456 6.014 0.014 18 0 "[ . 1 . 2]" 1
510 1 30 HIS HA 1 32 ASP H 4.800 . 6.000 4.487 3.625 5.083 . 0 0 "[ . 1 . 2]" 1
511 1 30 HIS HB2 1 30 HIS HD2 2.600 . 3.400 2.649 2.624 2.673 . 0 0 "[ . 1 . 2]" 1
512 1 30 HIS HB2 1 31 THR H 3.300 . 4.600 3.632 2.287 4.281 . 0 0 "[ . 1 . 2]" 1
513 1 30 HIS HB2 1 31 THR HA 5.300 . 6.000 5.014 4.111 5.470 . 0 0 "[ . 1 . 2]" 1
514 1 30 HIS HB2 1 31 THR HB 5.300 . 6.000 4.663 3.856 6.035 0.035 6 0 "[ . 1 . 2]" 1
515 1 30 HIS HB2 1 31 THR MG 3.600 . 5.200 3.706 2.754 5.166 . 0 0 "[ . 1 . 2]" 1
516 1 31 THR H 1 31 THR HB 4.000 . 6.000 3.536 2.610 3.892 . 0 0 "[ . 1 . 2]" 1
517 1 31 THR H 1 31 THR MG 2.900 . 4.000 2.722 1.880 3.801 . 0 0 "[ . 1 . 2]" 1
518 1 31 THR H 1 32 ASP H 2.500 . 3.300 2.280 1.684 3.233 0.016 20 0 "[ . 1 . 2]" 1
519 1 31 THR H 1 32 ASP HA 6.000 . 6.000 4.685 4.278 5.449 . 0 0 "[ . 1 . 2]" 1
520 1 31 THR HA 1 31 THR MG 2.900 . 4.000 2.940 2.155 3.236 . 0 0 "[ . 1 . 2]" 1
521 1 31 THR HA 1 32 ASP H 2.900 . 3.900 3.268 2.757 3.589 . 0 0 "[ . 1 . 2]" 1
522 1 31 THR HB 1 31 THR MG 2.400 . 3.100 2.116 2.089 2.135 . 0 0 "[ . 1 . 2]" 1
523 1 31 THR HB 1 32 ASP H 3.300 . 4.600 4.105 3.408 4.641 0.041 8 0 "[ . 1 . 2]" 1
524 1 31 THR MG 1 32 ASP H 3.400 . 4.800 3.123 1.986 4.409 0.014 19 0 "[ . 1 . 2]" 1
525 1 32 ASP H 1 32 ASP HA 2.600 . 3.400 2.839 2.249 2.940 . 0 0 "[ . 1 . 2]" 1
526 1 32 ASP H 1 33 THR H 3.100 . 4.300 3.469 2.120 4.405 0.105 15 0 "[ . 1 . 2]" 1
527 1 32 ASP HA 1 33 THR H 2.700 . 3.600 2.995 2.146 3.608 0.008 12 0 "[ . 1 . 2]" 1
528 1 32 ASP HA 1 33 THR MG 5.000 . 6.000 4.831 3.680 6.052 0.052 10 0 "[ . 1 . 2]" 1
529 1 33 THR H 1 33 THR HA 2.700 . 3.600 2.865 2.838 2.912 . 0 0 "[ . 1 . 2]" 1
530 1 33 THR H 1 33 THR HB 3.000 . 4.200 3.127 2.511 3.610 . 0 0 "[ . 1 . 2]" 1
531 1 33 THR H 1 33 THR MG 2.900 . 3.900 3.002 1.901 4.022 0.122 19 0 "[ . 1 . 2]" 1
532 1 33 THR H 1 34 LEU H 3.500 . 5.100 4.123 1.933 4.560 . 0 0 "[ . 1 . 2]" 1
533 1 33 THR H 1 34 LEU HA 3.600 . 5.300 5.018 4.333 5.444 0.144 3 0 "[ . 1 . 2]" 1
534 1 33 THR HA 1 33 THR MG 2.700 . 3.600 2.676 2.165 3.221 . 0 0 "[ . 1 . 2]" 1
535 1 33 THR HA 1 34 LEU H 2.300 . 3.000 2.268 2.138 2.760 . 0 0 "[ . 1 . 2]" 1
536 1 33 THR HB 1 34 LEU H 4.200 . 6.000 3.937 3.006 4.619 . 0 0 "[ . 1 . 2]" 1
537 1 33 THR MG 1 34 LEU H 4.000 . 6.000 3.471 2.375 4.145 . 0 0 "[ . 1 . 2]" 1
538 1 34 LEU H 1 34 LEU HA 2.800 . 3.800 2.882 2.825 2.931 . 0 0 "[ . 1 . 2]" 1
539 1 34 LEU H 1 34 LEU MD1 5.500 . 6.000 3.632 1.697 4.464 0.003 16 0 "[ . 1 . 2]" 1
540 1 34 LEU H 1 34 LEU MD2 5.100 . 6.000 3.317 1.876 4.113 0.024 14 0 "[ . 1 . 2]" 1
541 1 34 LEU H 1 34 LEU HG 2.700 . 3.600 3.128 2.316 3.634 0.034 9 0 "[ . 1 . 2]" 1
542 1 34 LEU H 1 35 SER H 3.100 . 4.300 3.095 1.874 4.514 0.214 13 0 "[ . 1 . 2]" 1
543 1 34 LEU HA 1 34 LEU MD2 3.600 . 5.200 2.775 2.005 3.795 . 0 0 "[ . 1 . 2]" 1
544 1 34 LEU HA 1 34 LEU HG 3.500 . 5.000 3.169 2.515 3.813 . 0 0 "[ . 1 . 2]" 1
545 1 34 LEU HA 1 35 SER H 2.700 . 3.600 2.810 2.097 3.562 . 0 0 "[ . 1 . 2]" 1
546 1 34 LEU MD1 1 34 LEU HG 3.400 . 4.900 2.100 2.081 2.120 . 0 0 "[ . 1 . 2]" 1
547 1 34 LEU MD2 1 34 LEU HG 4.300 . 6.000 2.105 2.079 2.132 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 15, 2024 5:03:39 PM GMT (wattos1)