NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
628112 |
6bv7   |
30379 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6bv7
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 652
_Distance_constraint_stats_list.Viol_count 348
_Distance_constraint_stats_list.Viol_total 96.877
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0139
_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 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 VAL 0.034 0.026 19 0 "[ . 1 . 2]"
1 5 LEU 0.024 0.012 18 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 1.024 0.166 3 0 "[ . 1 . 2]"
1 8 ASP 1.129 0.166 3 0 "[ . 1 . 2]"
1 9 GLU 0.249 0.034 1 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.059 0.035 11 0 "[ . 1 . 2]"
1 13 ASP 0.050 0.014 18 0 "[ . 1 . 2]"
1 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLU 0.050 0.014 18 0 "[ . 1 . 2]"
1 17 ALA 0.429 0.036 5 0 "[ . 1 . 2]"
1 18 ARG 0.088 0.014 8 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.428 0.036 5 0 "[ . 1 . 2]"
1 21 MET 0.126 0.014 8 0 "[ . 1 . 2]"
1 22 ALA 0.241 0.021 9 0 "[ . 1 . 2]"
1 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.059 0.013 11 0 "[ . 1 . 2]"
1 25 LEU 0.003 0.003 16 0 "[ . 1 . 2]"
1 26 LYS 0.241 0.021 9 0 "[ . 1 . 2]"
1 27 GLU 0.089 0.018 3 0 "[ . 1 . 2]"
1 28 LEU 0.066 0.010 17 0 "[ . 1 . 2]"
1 29 LYS 0.067 0.006 8 0 "[ . 1 . 2]"
1 30 GLN 0.456 0.021 3 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 HIS 0.205 0.054 15 0 "[ . 1 . 2]"
1 33 PRO 0.636 0.125 15 0 "[ . 1 . 2]"
1 34 GLU 1.105 0.125 15 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLU 0.485 0.033 4 0 "[ . 1 . 2]"
1 37 ILE 0.016 0.008 14 0 "[ . 1 . 2]"
1 38 GLU 0.004 0.003 16 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.029 0.008 14 0 "[ . 1 . 2]"
1 41 ILE 0.045 0.010 8 0 "[ . 1 . 2]"
1 42 GLU 0.014 0.009 3 0 "[ . 1 . 2]"
1 43 LEU 0.007 0.004 2 0 "[ . 1 . 2]"
1 44 ALA 0.139 0.011 2 0 "[ . 1 . 2]"
1 45 ASN 0.243 0.044 3 0 "[ . 1 . 2]"
1 46 TYR 0.184 0.023 6 0 "[ . 1 . 2]"
1 47 GLN 0.147 0.013 11 0 "[ . 1 . 2]"
1 48 VAL 0.002 0.002 3 0 "[ . 1 . 2]"
1 49 LEU 0.243 0.024 5 0 "[ . 1 . 2]"
1 50 SER 0.249 0.024 5 0 "[ . 1 . 2]"
1 51 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 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 21 MET CE 1 41 ILE HA 5.000 . 7.500 6.575 5.694 7.510 0.010 8 0 "[ . 1 . 2]" 1
2 1 21 MET CE 1 41 ILE CG2 4.000 . 8.000 6.827 5.923 7.741 . 0 0 "[ . 1 . 2]" 1
3 1 21 MET CE 1 44 ALA CB 4.000 . 8.000 5.614 4.539 6.553 . 0 0 "[ . 1 . 2]" 1
4 1 21 MET CE 1 45 ASN HA 5.000 . 7.500 4.880 3.901 5.874 . 0 0 "[ . 1 . 2]" 1
5 1 21 MET CE 1 45 ASN CB 4.000 . 7.500 5.847 5.007 6.889 . 0 0 "[ . 1 . 2]" 1
6 1 21 MET H 1 48 VAL CG2 5.000 . 7.500 6.860 6.337 7.270 . 0 0 "[ . 1 . 2]" 1
7 1 21 MET HA 1 48 VAL CG2 4.000 . 6.500 5.188 4.608 5.794 . 0 0 "[ . 1 . 2]" 1
8 1 21 MET CE 1 48 VAL CG2 5.000 . 9.000 5.669 4.207 6.336 . 0 0 "[ . 1 . 2]" 1
9 1 24 ILE CG2 1 44 ALA HA 4.000 . 6.500 4.235 3.581 4.672 . 0 0 "[ . 1 . 2]" 1
10 1 24 ILE CD1 1 44 ALA HA 5.000 . 7.500 5.179 4.702 5.717 . 0 0 "[ . 1 . 2]" 1
11 1 24 ILE HA 1 47 GLN NE2 5.000 . 7.000 6.784 6.216 7.013 0.013 11 0 "[ . 1 . 2]" 1
12 1 24 ILE CG1 1 47 GLN HE21 5.000 . 7.500 6.414 5.067 6.685 . 0 0 "[ . 1 . 2]" 1
13 1 24 ILE CG1 1 47 GLN HE22 5.000 . 7.500 5.779 4.811 6.117 . 0 0 "[ . 1 . 2]" 1
14 1 24 ILE CG2 1 47 GLN NE2 4.000 . 7.500 4.542 4.120 4.845 . 0 0 "[ . 1 . 2]" 1
15 1 24 ILE CD1 1 47 GLN HE21 4.000 . 6.500 6.296 4.698 6.506 0.006 6 0 "[ . 1 . 2]" 1
16 1 24 ILE CD1 1 47 GLN HE22 4.000 . 6.500 6.036 4.961 6.325 . 0 0 "[ . 1 . 2]" 1
17 1 24 ILE HB 1 48 VAL CG2 5.000 . 7.500 5.886 5.603 6.316 . 0 0 "[ . 1 . 2]" 1
18 1 24 ILE CD1 1 48 VAL H 5.000 . 7.500 6.187 5.869 6.575 . 0 0 "[ . 1 . 2]" 1
19 1 24 ILE CD1 1 48 VAL CG2 4.000 . 8.000 4.364 3.943 4.779 . 0 0 "[ . 1 . 2]" 1
20 1 25 LEU CD1 1 41 ILE HA 4.000 . 6.500 5.706 4.788 6.290 . 0 0 "[ . 1 . 2]" 1
21 1 25 LEU CD2 1 41 ILE HA 3.000 . 5.200 4.345 4.005 4.960 . 0 0 "[ . 1 . 2]" 1
22 1 25 LEU CD1 1 41 ILE CD1 5.000 . 9.000 7.965 7.392 8.587 . 0 0 "[ . 1 . 2]" 1
23 1 25 LEU CD2 1 41 ILE CD1 5.000 . 9.000 6.777 6.259 7.186 . 0 0 "[ . 1 . 2]" 1
24 1 25 LEU HA 1 44 ALA CB 4.000 . 6.500 5.361 5.014 5.715 . 0 0 "[ . 1 . 2]" 1
25 1 25 LEU CD1 1 44 ALA CB 5.000 . 9.000 5.093 3.523 5.768 . 0 0 "[ . 1 . 2]" 1
26 1 25 LEU CD2 1 44 ALA CB 5.000 . 9.000 4.209 3.644 5.479 . 0 0 "[ . 1 . 2]" 1
27 1 28 LEU CB 1 40 LEU CD1 4.000 . 7.500 5.808 5.728 5.848 . 0 0 "[ . 1 . 2]" 1
28 1 28 LEU CD1 1 44 ALA HA 3.000 . 5.200 5.161 4.976 5.210 0.010 17 0 "[ . 1 . 2]" 1
29 1 28 LEU CD1 1 44 ALA CB 4.000 . 8.000 5.646 5.427 5.871 . 0 0 "[ . 1 . 2]" 1
30 1 29 LYS HA 1 40 LEU CD1 4.000 . 6.500 4.231 3.733 4.705 . 0 0 "[ . 1 . 2]" 1
31 1 29 LYS CB 1 40 LEU CD1 5.000 . 8.500 4.784 4.371 5.147 . 0 0 "[ . 1 . 2]" 1
32 1 32 HIS H 1 40 LEU CD2 5.000 . 7.500 6.443 6.136 6.735 . 0 0 "[ . 1 . 2]" 1
33 1 32 HIS HB2 1 40 LEU CD2 5.000 . 7.500 5.420 4.769 6.088 . 0 0 "[ . 1 . 2]" 1
34 1 32 HIS HB3 1 40 LEU CD2 5.000 . 7.500 6.561 5.854 7.405 . 0 0 "[ . 1 . 2]" 1
35 1 32 HIS HD2 1 40 LEU CD2 5.000 . 7.500 7.089 6.412 7.503 0.003 5 0 "[ . 1 . 2]" 1
36 1 35 LYS CB 1 40 LEU HG 5.000 . 7.500 3.926 3.686 4.248 . 0 0 "[ . 1 . 2]" 1
37 1 35 LYS CB 1 40 LEU CD1 5.000 . 8.500 4.864 4.588 5.104 . 0 0 "[ . 1 . 2]" 1
38 1 35 LYS HB3 1 40 LEU CD2 4.000 . 6.500 4.521 4.073 5.047 . 0 0 "[ . 1 . 2]" 1
39 1 35 LYS HB2 1 40 LEU CD2 4.000 . 6.500 4.722 4.276 5.314 . 0 0 "[ . 1 . 2]" 1
40 1 35 LYS CE 1 43 LEU CD1 4.000 . 7.500 4.993 4.682 5.276 . 0 0 "[ . 1 . 2]" 1
41 1 14 ASP H 1 16 GLU H 5.000 . 6.000 4.038 3.882 4.260 . 0 0 "[ . 1 . 2]" 1
42 1 16 GLU H 1 18 ARG H 5.000 . 6.000 3.963 3.847 4.018 . 0 0 "[ . 1 . 2]" 1
43 1 18 ARG H 1 20 GLU H 4.000 . 5.000 3.980 3.905 4.072 . 0 0 "[ . 1 . 2]" 1
44 1 19 ARG H 1 21 MET H 5.000 . 6.000 4.066 3.934 4.283 . 0 0 "[ . 1 . 2]" 1
45 1 20 GLU H 1 22 ALA H 5.000 . 6.000 3.879 3.752 3.978 . 0 0 "[ . 1 . 2]" 1
46 1 21 MET H 1 23 ARG H 4.000 . 5.000 3.979 3.896 4.084 . 0 0 "[ . 1 . 2]" 1
47 1 22 ALA H 1 24 ILE H 4.000 . 5.000 4.173 4.069 4.227 . 0 0 "[ . 1 . 2]" 1
48 1 23 ARG H 1 25 LEU H 4.000 . 5.000 3.897 3.851 3.943 . 0 0 "[ . 1 . 2]" 1
49 1 24 ILE H 1 26 LYS H 4.000 . 5.000 3.995 3.942 4.021 . 0 0 "[ . 1 . 2]" 1
50 1 25 LEU H 1 27 GLU H 4.000 . 5.000 3.915 3.858 3.939 . 0 0 "[ . 1 . 2]" 1
51 1 26 LYS H 1 28 LEU H 5.000 . 6.000 4.089 4.054 4.148 . 0 0 "[ . 1 . 2]" 1
52 1 27 GLU H 1 29 LYS H 4.000 . 5.000 3.777 3.709 3.817 . 0 0 "[ . 1 . 2]" 1
53 1 28 LEU H 1 30 GLN H 5.000 . 6.000 4.023 3.969 4.074 . 0 0 "[ . 1 . 2]" 1
54 1 29 LYS H 1 31 LYS H 5.000 . 6.000 3.769 3.738 3.828 . 0 0 "[ . 1 . 2]" 1
55 1 30 GLN H 1 32 HIS H 5.000 . 6.000 4.021 3.922 4.152 . 0 0 "[ . 1 . 2]" 1
56 1 38 GLU H 1 40 LEU H 5.000 . 6.000 3.936 3.872 4.029 . 0 0 "[ . 1 . 2]" 1
57 1 39 GLN H 1 41 ILE H 4.000 . 5.000 4.185 4.102 4.240 . 0 0 "[ . 1 . 2]" 1
58 1 40 LEU H 1 42 GLU H 5.000 . 6.000 3.818 3.760 4.043 . 0 0 "[ . 1 . 2]" 1
59 1 41 ILE H 1 43 LEU H 4.000 . 5.000 4.106 3.972 4.153 . 0 0 "[ . 1 . 2]" 1
60 1 42 GLU H 1 44 ALA H 5.000 . 6.000 3.821 3.778 3.938 . 0 0 "[ . 1 . 2]" 1
61 1 43 LEU H 1 45 ASN H 4.000 . 5.000 4.174 4.033 4.240 . 0 0 "[ . 1 . 2]" 1
62 1 44 ALA H 1 46 TYR H 5.000 . 6.000 3.830 3.794 3.924 . 0 0 "[ . 1 . 2]" 1
63 1 45 ASN H 1 47 GLN H 5.000 . 6.000 3.981 3.893 4.018 . 0 0 "[ . 1 . 2]" 1
64 1 47 GLN H 1 49 LEU H 5.000 . 6.000 3.749 3.670 3.878 . 0 0 "[ . 1 . 2]" 1
65 1 18 ARG HA 1 20 GLU H 4.000 . 5.000 4.371 4.158 4.512 . 0 0 "[ . 1 . 2]" 1
66 1 20 GLU HA 1 22 ALA H 5.000 . 6.000 4.250 4.186 4.408 . 0 0 "[ . 1 . 2]" 1
67 1 21 MET HA 1 23 ARG H 5.000 . 6.000 4.055 4.020 4.093 . 0 0 "[ . 1 . 2]" 1
68 1 23 ARG HA 1 25 LEU H 5.000 . 6.000 4.389 4.335 4.435 . 0 0 "[ . 1 . 2]" 1
69 1 24 ILE HA 1 26 LYS H 5.000 . 6.000 4.379 4.310 4.452 . 0 0 "[ . 1 . 2]" 1
70 1 32 HIS HA 1 34 GLU H 4.000 . 5.000 3.371 3.294 3.541 . 0 0 "[ . 1 . 2]" 1
71 1 33 PRO HA 1 35 LYS H 5.000 . 6.000 3.700 3.570 3.815 . 0 0 "[ . 1 . 2]" 1
72 1 34 GLU HA 1 36 GLU H 5.000 . 6.000 6.024 6.013 6.033 0.033 4 0 "[ . 1 . 2]" 1
73 1 36 GLU HA 1 38 GLU H 5.000 . 6.000 4.352 4.291 4.449 . 0 0 "[ . 1 . 2]" 1
74 1 38 GLU HA 1 40 LEU H 5.000 . 6.000 4.116 4.071 4.158 . 0 0 "[ . 1 . 2]" 1
75 1 39 GLN HA 1 41 ILE H 5.000 . 6.000 4.347 4.254 4.413 . 0 0 "[ . 1 . 2]" 1
76 1 41 ILE HA 1 43 LEU H 5.000 . 6.000 4.464 4.443 4.514 . 0 0 "[ . 1 . 2]" 1
77 1 42 GLU HA 1 44 ALA H 5.000 . 6.000 4.359 4.306 4.447 . 0 0 "[ . 1 . 2]" 1
78 1 43 LEU HA 1 45 ASN H 5.000 . 6.000 4.501 4.359 4.568 . 0 0 "[ . 1 . 2]" 1
79 1 44 ALA HA 1 46 TYR H 5.000 . 6.000 4.333 4.292 4.439 . 0 0 "[ . 1 . 2]" 1
80 1 47 GLN HA 1 49 LEU H 5.000 . 6.000 4.204 4.157 4.294 . 0 0 "[ . 1 . 2]" 1
81 1 19 ARG H 1 22 ALA H 5.000 . 6.000 4.688 4.618 4.763 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLU H 1 23 ARG H 5.000 . 6.000 4.795 4.662 4.829 . 0 0 "[ . 1 . 2]" 1
83 1 22 ALA H 1 25 LEU H 5.000 . 6.000 4.895 4.820 4.930 . 0 0 "[ . 1 . 2]" 1
84 1 24 ILE H 1 27 GLU H 5.000 . 6.000 4.805 4.733 4.831 . 0 0 "[ . 1 . 2]" 1
85 1 36 GLU H 1 39 GLN H 5.000 . 6.000 4.066 3.919 4.171 . 0 0 "[ . 1 . 2]" 1
86 1 44 ALA H 1 47 GLN H 5.000 . 6.000 4.753 4.676 4.791 . 0 0 "[ . 1 . 2]" 1
87 1 45 ASN H 1 48 VAL H 5.000 . 6.000 4.972 4.948 5.015 . 0 0 "[ . 1 . 2]" 1
88 1 13 ASP HA 1 16 GLU H 4.000 . 5.000 4.181 3.502 4.729 . 0 0 "[ . 1 . 2]" 1
89 1 14 ASP HA 1 17 ALA H 4.000 . 5.000 3.616 3.486 3.782 . 0 0 "[ . 1 . 2]" 1
90 1 16 GLU HA 1 19 ARG H 4.000 . 5.000 3.637 3.584 3.661 . 0 0 "[ . 1 . 2]" 1
91 1 17 ALA HA 1 20 GLU H 3.000 . 3.700 3.643 3.496 3.729 0.029 2 0 "[ . 1 . 2]" 1
92 1 18 ARG HA 1 21 MET H 3.000 . 3.700 3.695 3.633 3.714 0.014 8 0 "[ . 1 . 2]" 1
93 1 19 ARG HA 1 22 ALA H 4.000 . 5.000 3.543 3.469 3.612 . 0 0 "[ . 1 . 2]" 1
94 1 20 GLU HA 1 23 ARG H 3.000 . 3.700 3.571 3.463 3.678 . 0 0 "[ . 1 . 2]" 1
95 1 21 MET HA 1 24 ILE H 3.000 . 3.700 3.601 3.496 3.650 . 0 0 "[ . 1 . 2]" 1
96 1 22 ALA HA 1 25 LEU H 3.000 . 3.700 3.616 3.521 3.700 . 16 0 "[ . 1 . 2]" 1
97 1 23 ARG HA 1 26 LYS H 3.000 . 3.700 3.639 3.571 3.682 . 0 0 "[ . 1 . 2]" 1
98 1 24 ILE HA 1 27 GLU H 4.000 . 5.000 3.634 3.587 3.727 . 0 0 "[ . 1 . 2]" 1
99 1 25 LEU HA 1 28 LEU H 3.000 . 3.700 3.635 3.587 3.703 0.003 16 0 "[ . 1 . 2]" 1
100 1 26 LYS HA 1 29 LYS H 4.000 . 5.000 3.576 3.517 3.654 . 0 0 "[ . 1 . 2]" 1
101 1 27 GLU HA 1 30 GLN H 3.000 . 3.700 3.702 3.668 3.718 0.018 3 0 "[ . 1 . 2]" 1
102 1 28 LEU HA 1 31 LYS H 3.000 . 3.700 3.623 3.575 3.685 . 0 0 "[ . 1 . 2]" 1
103 1 29 LYS HA 1 32 HIS H 4.000 . 5.000 3.886 3.818 3.945 . 0 0 "[ . 1 . 2]" 1
104 1 32 HIS HA 1 35 LYS H 5.000 . 6.000 4.589 4.336 4.930 . 0 0 "[ . 1 . 2]" 1
105 1 37 ILE HA 1 40 LEU H 3.000 . 3.700 3.439 3.399 3.497 . 0 0 "[ . 1 . 2]" 1
106 1 38 GLU HA 1 41 ILE H 4.000 . 5.000 3.668 3.562 3.761 . 0 0 "[ . 1 . 2]" 1
107 1 39 GLN HA 1 42 GLU H 3.000 . 3.700 3.522 3.465 3.689 . 0 0 "[ . 1 . 2]" 1
108 1 40 LEU HA 1 43 LEU H 4.000 . 5.000 3.727 3.678 3.786 . 0 0 "[ . 1 . 2]" 1
109 1 41 ILE HA 1 44 ALA H 4.000 . 5.000 3.574 3.516 3.659 . 0 0 "[ . 1 . 2]" 1
110 1 42 GLU HA 1 45 ASN H 4.000 . 5.000 3.893 3.793 3.943 . 0 0 "[ . 1 . 2]" 1
111 1 43 LEU HA 1 46 TYR H 3.000 . 3.700 3.537 3.494 3.622 . 0 0 "[ . 1 . 2]" 1
112 1 44 ALA HA 1 47 GLN H 3.000 . 3.700 3.701 3.633 3.711 0.011 2 0 "[ . 1 . 2]" 1
113 1 45 ASN HA 1 48 VAL H 3.000 . 3.700 3.593 3.514 3.685 . 0 0 "[ . 1 . 2]" 1
114 1 46 TYR HA 1 49 LEU H 4.000 . 5.000 3.602 3.527 3.656 . 0 0 "[ . 1 . 2]" 1
115 1 47 GLN HA 1 50 SER H 4.000 . 5.000 3.676 3.600 3.752 . 0 0 "[ . 1 . 2]" 1
116 1 13 ASP HA 1 16 GLU CB 4.000 . 6.000 5.193 4.137 6.014 0.014 18 0 "[ . 1 . 2]" 1
117 1 14 ASP HA 1 17 ALA CB 3.000 . 5.200 3.918 3.718 4.195 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU HA 1 19 ARG CB 3.000 . 4.700 3.951 3.842 4.044 . 0 0 "[ . 1 . 2]" 1
119 1 17 ALA HA 1 20 GLU HB2 4.000 . 5.000 3.028 2.761 4.876 . 0 0 "[ . 1 . 2]" 1
120 1 17 ALA HA 1 20 GLU HB3 4.000 . 5.000 4.522 4.268 4.663 . 0 0 "[ . 1 . 2]" 1
121 1 18 ARG HA 1 21 MET HB2 4.000 . 5.000 3.428 2.910 3.808 . 0 0 "[ . 1 . 2]" 1
122 1 18 ARG HA 1 21 MET HB3 4.000 . 5.000 3.876 3.276 4.863 . 0 0 "[ . 1 . 2]" 1
123 1 19 ARG HA 1 22 ALA CB 3.000 . 5.200 3.679 3.442 3.852 . 0 0 "[ . 1 . 2]" 1
124 1 20 GLU HA 1 23 ARG HB2 4.000 . 5.000 2.892 2.685 3.098 . 0 0 "[ . 1 . 2]" 1
125 1 20 GLU HA 1 23 ARG HB3 4.000 . 5.000 4.436 3.382 4.734 . 0 0 "[ . 1 . 2]" 1
126 1 21 MET HA 1 24 ILE HB 3.000 . 3.700 3.527 3.231 3.675 . 0 0 "[ . 1 . 2]" 1
127 1 22 ALA HA 1 25 LEU HB2 4.000 . 5.000 2.878 2.734 3.060 . 0 0 "[ . 1 . 2]" 1
128 1 22 ALA HA 1 25 LEU HB3 4.000 . 5.000 4.473 4.249 4.692 . 0 0 "[ . 1 . 2]" 1
129 1 23 ARG HA 1 26 LYS CB 3.000 . 4.700 3.997 3.846 4.061 . 0 0 "[ . 1 . 2]" 1
130 1 24 ILE HA 1 27 GLU HB2 4.000 . 5.000 2.906 2.806 3.354 . 0 0 "[ . 1 . 2]" 1
131 1 24 ILE HA 1 27 GLU HB3 4.000 . 5.000 4.397 3.285 4.570 . 0 0 "[ . 1 . 2]" 1
132 1 25 LEU HA 1 28 LEU HB2 4.000 . 5.000 3.171 3.066 3.300 . 0 0 "[ . 1 . 2]" 1
133 1 25 LEU HA 1 28 LEU HB3 4.000 . 5.000 4.850 4.737 4.989 . 0 0 "[ . 1 . 2]" 1
134 1 26 LYS HA 1 29 LYS HB2 4.000 . 5.000 3.004 2.701 3.563 . 0 0 "[ . 1 . 2]" 1
135 1 26 LYS HA 1 29 LYS HB3 4.000 . 5.000 3.892 3.000 4.357 . 0 0 "[ . 1 . 2]" 1
136 1 27 GLU HA 1 30 GLN CB 4.000 . 6.000 4.249 4.223 4.308 . 0 0 "[ . 1 . 2]" 1
137 1 28 LEU HA 1 31 LYS CB 4.000 . 6.000 4.068 3.961 4.233 . 0 0 "[ . 1 . 2]" 1
138 1 37 ILE HA 1 40 LEU HB3 4.000 . 5.000 4.284 4.092 4.496 . 0 0 "[ . 1 . 2]" 1
139 1 37 ILE HA 1 40 LEU HB2 4.000 . 5.000 2.687 2.532 2.878 . 0 0 "[ . 1 . 2]" 1
140 1 38 GLU HA 1 41 ILE HB 3.000 . 3.700 3.587 3.439 3.703 0.003 16 0 "[ . 1 . 2]" 1
141 1 40 LEU HA 1 43 LEU HB3 4.000 . 5.000 4.924 4.600 5.004 0.004 2 0 "[ . 1 . 2]" 1
142 1 40 LEU HA 1 43 LEU HB2 3.000 . 3.700 3.272 3.039 3.355 . 0 0 "[ . 1 . 2]" 1
143 1 41 ILE HA 1 44 ALA CB 3.000 . 5.200 3.713 3.612 3.870 . 0 0 "[ . 1 . 2]" 1
144 1 42 GLU HA 1 45 ASN HB3 4.000 . 5.000 4.936 4.741 5.002 0.002 7 0 "[ . 1 . 2]" 1
145 1 42 GLU HA 1 45 ASN HB2 4.000 . 5.000 3.397 3.126 3.454 . 0 0 "[ . 1 . 2]" 1
146 1 43 LEU HA 1 46 TYR CB 3.000 . 4.700 3.658 3.567 3.871 . 0 0 "[ . 1 . 2]" 1
147 1 44 ALA HA 1 47 GLN HB2 4.000 . 5.000 3.065 2.887 3.397 . 0 0 "[ . 1 . 2]" 1
148 1 44 ALA HA 1 47 GLN HB3 4.000 . 5.000 4.508 3.444 4.708 . 0 0 "[ . 1 . 2]" 1
149 1 45 ASN HA 1 48 VAL HB 4.000 . 5.000 3.373 3.234 3.504 . 0 0 "[ . 1 . 2]" 1
150 1 46 TYR HA 1 49 LEU HB2 4.000 . 5.000 3.285 2.740 3.480 . 0 0 "[ . 1 . 2]" 1
151 1 46 TYR HA 1 49 LEU HB3 4.000 . 5.000 3.277 2.889 4.567 . 0 0 "[ . 1 . 2]" 1
152 1 47 GLN HA 1 50 SER HB2 4.000 . 5.000 4.848 4.665 5.006 0.006 3 0 "[ . 1 . 2]" 1
153 1 47 GLN HA 1 50 SER HB3 4.000 . 5.000 4.394 4.169 4.584 . 0 0 "[ . 1 . 2]" 1
154 1 48 VAL HA 1 51 GLN CB 5.000 . 7.000 3.886 3.759 4.069 . 0 0 "[ . 1 . 2]" 1
155 1 49 LEU HA 1 52 GLN CB 4.000 . 6.000 4.442 4.143 4.732 . 0 0 "[ . 1 . 2]" 1
156 1 50 SER HA 1 53 GLN HB2 5.000 . 6.000 4.530 3.565 5.541 . 0 0 "[ . 1 . 2]" 1
157 1 50 SER HA 1 53 GLN HB3 5.000 . 6.000 5.155 4.186 5.373 . 0 0 "[ . 1 . 2]" 1
158 1 22 ALA H 1 26 LYS H 5.000 . 6.000 6.009 5.977 6.021 0.021 9 0 "[ . 1 . 2]" 1
159 1 14 ASP HA 1 18 ARG H 5.000 . 6.000 4.020 3.909 4.230 . 0 0 "[ . 1 . 2]" 1
160 1 17 ALA HA 1 21 MET H 5.000 . 6.000 4.185 3.944 4.425 . 0 0 "[ . 1 . 2]" 1
161 1 20 GLU HA 1 24 ILE H 5.000 . 6.000 4.554 4.509 4.613 . 0 0 "[ . 1 . 2]" 1
162 1 21 MET HA 1 25 LEU H 5.000 . 6.000 4.337 4.190 4.452 . 0 0 "[ . 1 . 2]" 1
163 1 22 ALA HA 1 26 LYS H 4.000 . 5.000 4.047 3.960 4.098 . 0 0 "[ . 1 . 2]" 1
164 1 24 ILE HA 1 28 LEU H 5.000 . 6.000 4.302 4.214 4.356 . 0 0 "[ . 1 . 2]" 1
165 1 28 LEU HA 1 32 HIS H 4.000 . 5.000 3.444 3.292 3.705 . 0 0 "[ . 1 . 2]" 1
166 1 38 GLU HA 1 42 GLU H 5.000 . 6.000 4.464 4.385 4.526 . 0 0 "[ . 1 . 2]" 1
167 1 39 GLN HA 1 43 LEU H 5.000 . 6.000 4.065 3.920 4.177 . 0 0 "[ . 1 . 2]" 1
168 1 41 ILE HA 1 45 ASN H 5.000 . 6.000 3.965 3.825 4.167 . 0 0 "[ . 1 . 2]" 1
169 1 42 GLU HA 1 46 TYR H 5.000 . 6.000 4.298 4.206 4.379 . 0 0 "[ . 1 . 2]" 1
170 1 43 LEU HA 1 47 GLN H 5.000 . 6.000 4.220 4.137 4.315 . 0 0 "[ . 1 . 2]" 1
171 1 44 ALA HA 1 48 VAL H 5.000 . 6.000 4.461 4.361 4.580 . 0 0 "[ . 1 . 2]" 1
172 1 45 ASN HA 1 49 LEU H 5.000 . 6.000 4.239 4.171 4.323 . 0 0 "[ . 1 . 2]" 1
173 1 14 ASP CB 1 17 ALA H 4.000 . 6.000 5.302 5.229 5.393 . 0 0 "[ . 1 . 2]" 1
174 1 14 ASP CB 1 18 ARG H 5.000 . 7.000 5.424 5.287 5.621 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLU HA 1 19 ARG CD 4.000 . 6.000 4.366 4.140 4.555 . 0 0 "[ . 1 . 2]" 1
176 1 17 ALA HA 1 20 GLU HG2 4.000 . 5.000 4.717 2.214 5.036 0.036 5 0 "[ . 1 . 2]" 1
177 1 17 ALA HA 1 20 GLU HG3 4.000 . 5.000 3.946 3.233 4.352 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU HG2 1 24 ILE CD1 5.000 . 7.500 6.544 5.815 7.020 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLU HG3 1 24 ILE CD1 5.000 . 7.500 6.731 5.038 7.130 . 0 0 "[ . 1 . 2]" 1
180 1 21 MET H 1 24 ILE CD1 5.000 . 7.500 5.370 5.309 5.406 . 0 0 "[ . 1 . 2]" 1
181 1 21 MET HA 1 24 ILE CG2 5.000 . 7.500 5.501 5.237 5.626 . 0 0 "[ . 1 . 2]" 1
182 1 21 MET HA 1 24 ILE CD1 4.000 . 6.500 3.393 3.365 3.480 . 0 0 "[ . 1 . 2]" 1
183 1 21 MET HG3 1 25 LEU CD1 5.000 . 7.500 5.365 3.787 6.705 . 0 0 "[ . 1 . 2]" 1
184 1 21 MET HG2 1 25 LEU CD2 5.000 . 7.500 5.675 4.796 7.109 . 0 0 "[ . 1 . 2]" 1
185 1 21 MET CE 1 25 LEU CD1 5.000 . 9.000 5.564 4.814 7.260 . 0 0 "[ . 1 . 2]" 1
186 1 21 MET CE 1 25 LEU CD2 5.000 . 9.000 6.834 6.011 8.651 . 0 0 "[ . 1 . 2]" 1
187 1 22 ALA HA 1 25 LEU CD1 4.000 . 6.500 4.014 3.704 4.979 . 0 0 "[ . 1 . 2]" 1
188 1 22 ALA HA 1 25 LEU CD2 5.000 . 7.500 5.872 5.205 6.118 . 0 0 "[ . 1 . 2]" 1
189 1 23 ARG HA 1 26 LYS CD 5.000 . 7.000 4.602 4.498 4.901 . 0 0 "[ . 1 . 2]" 1
190 1 24 ILE HA 1 27 GLU HG2 5.000 . 6.000 5.429 4.655 5.682 . 0 0 "[ . 1 . 2]" 1
191 1 24 ILE HA 1 27 GLU HG3 5.000 . 6.000 4.397 4.109 5.706 . 0 0 "[ . 1 . 2]" 1
192 1 24 ILE CG2 1 28 LEU H 5.000 . 7.500 5.508 5.435 5.565 . 0 0 "[ . 1 . 2]" 1
193 1 24 ILE CG2 1 28 LEU CD1 4.000 . 8.000 3.783 3.654 3.844 . 0 0 "[ . 1 . 2]" 1
194 1 25 LEU HA 1 28 LEU CD1 4.000 . 6.500 4.194 4.032 4.477 . 0 0 "[ . 1 . 2]" 1
195 1 28 LEU HA 1 32 HIS HD2 4.000 . 5.000 2.963 2.645 3.350 . 0 0 "[ . 1 . 2]" 1
196 1 28 LEU HB2 1 32 HIS HD2 5.000 . 6.000 5.659 5.262 6.001 0.001 17 0 "[ . 1 . 2]" 1
197 1 28 LEU HB3 1 32 HIS HD2 5.000 . 6.000 4.414 3.950 4.761 . 0 0 "[ . 1 . 2]" 1
198 1 28 LEU CD2 1 32 HIS HD2 3.000 . 5.200 4.130 3.840 4.568 . 0 0 "[ . 1 . 2]" 1
199 1 29 LYS HA 1 33 PRO HA 5.000 . 6.000 4.566 4.038 5.296 . 0 0 "[ . 1 . 2]" 1
200 1 31 LYS HA 1 33 PRO CD 5.000 . 7.000 5.128 4.861 5.551 . 0 0 "[ . 1 . 2]" 1
201 1 32 HIS HB2 1 35 LYS H 4.000 . 5.000 4.315 4.178 4.430 . 0 0 "[ . 1 . 2]" 1
202 1 32 HIS HB3 1 35 LYS H 5.000 . 6.000 3.320 3.096 3.633 . 0 0 "[ . 1 . 2]" 1
203 1 32 HIS HA 1 35 LYS CG 5.000 . 7.000 5.495 5.265 5.703 . 0 0 "[ . 1 . 2]" 1
204 1 32 HIS HB2 1 35 LYS HB3 5.000 . 6.000 4.633 4.280 4.874 . 0 0 "[ . 1 . 2]" 1
205 1 32 HIS HB2 1 35 LYS HB2 5.000 . 6.000 3.280 2.939 3.559 . 0 0 "[ . 1 . 2]" 1
206 1 32 HIS HB3 1 35 LYS HB3 5.000 . 6.000 4.394 3.990 4.986 . 0 0 "[ . 1 . 2]" 1
207 1 32 HIS HB3 1 35 LYS HB2 5.000 . 6.000 2.999 2.517 3.737 . 0 0 "[ . 1 . 2]" 1
208 1 32 HIS HB2 1 35 LYS CG 4.000 . 6.000 3.829 3.477 4.053 . 0 0 "[ . 1 . 2]" 1
209 1 32 HIS HB3 1 35 LYS CG 4.000 . 6.000 3.030 2.883 3.284 . 0 0 "[ . 1 . 2]" 1
210 1 32 HIS HB2 1 35 LYS CD 5.000 . 7.000 3.346 3.089 3.638 . 0 0 "[ . 1 . 2]" 1
211 1 32 HIS HB3 1 35 LYS CD 5.000 . 7.000 3.140 2.962 3.580 . 0 0 "[ . 1 . 2]" 1
212 1 36 GLU CB 1 38 GLU H 4.000 . 6.000 3.348 3.289 3.423 . 0 0 "[ . 1 . 2]" 1
213 1 36 GLU H 1 39 GLN CG 5.000 . 7.000 4.111 3.776 4.285 . 0 0 "[ . 1 . 2]" 1
214 1 36 GLU CB 1 39 GLN H 5.000 . 7.000 3.805 3.688 3.913 . 0 0 "[ . 1 . 2]" 1
215 1 36 GLU CB 1 39 GLN CG 4.000 . 7.000 5.014 4.706 5.248 . 0 0 "[ . 1 . 2]" 1
216 1 37 ILE HA 1 40 LEU HG 4.000 . 5.000 4.121 4.015 4.235 . 0 0 "[ . 1 . 2]" 1
217 1 37 ILE HA 1 40 LEU CD1 3.000 . 5.200 3.097 2.937 3.234 . 0 0 "[ . 1 . 2]" 1
218 1 37 ILE HA 1 40 LEU CD2 4.000 . 6.500 5.271 5.100 5.439 . 0 0 "[ . 1 . 2]" 1
219 1 37 ILE CD1 1 40 LEU HB2 4.000 . 6.500 6.369 4.665 6.508 0.008 14 0 "[ . 1 . 2]" 1
220 1 38 GLU HA 1 41 ILE CG2 5.000 . 7.500 5.609 5.435 5.763 . 0 0 "[ . 1 . 2]" 1
221 1 38 GLU HA 1 41 ILE CD1 3.000 . 5.200 3.691 3.389 4.011 . 0 0 "[ . 1 . 2]" 1
222 1 40 LEU HA 1 43 LEU HG 5.000 . 6.000 4.974 4.874 5.079 . 0 0 "[ . 1 . 2]" 1
223 1 40 LEU HA 1 43 LEU CD1 3.000 . 5.200 4.436 4.340 4.557 . 0 0 "[ . 1 . 2]" 1
224 1 41 ILE CG2 1 45 ASN H 4.000 . 6.500 5.207 5.082 5.427 . 0 0 "[ . 1 . 2]" 1
225 1 41 ILE CG2 1 45 ASN HD21 4.000 . 6.500 3.211 2.958 4.854 . 0 0 "[ . 1 . 2]" 1
226 1 41 ILE CG2 1 45 ASN HD22 4.000 . 6.500 3.231 3.013 3.815 . 0 0 "[ . 1 . 2]" 1
227 1 42 GLU HA 1 45 ASN HD21 4.000 . 5.000 4.175 3.944 5.009 0.009 3 0 "[ . 1 . 2]" 1
228 1 42 GLU HA 1 45 ASN HD22 5.000 . 6.000 5.678 5.491 5.813 . 0 0 "[ . 1 . 2]" 1
229 1 43 LEU HA 1 46 TYR CG 4.000 . 7.000 4.713 4.531 4.886 . 0 0 "[ . 1 . 2]" 1
230 1 45 ASN HA 1 48 VAL CG1 5.000 . 7.500 5.422 5.278 5.568 . 0 0 "[ . 1 . 2]" 1
231 1 45 ASN HA 1 48 VAL CG2 3.000 . 5.200 4.256 3.995 4.411 . 0 0 "[ . 1 . 2]" 1
232 1 46 TYR HA 1 49 LEU HG 5.000 . 6.000 5.449 4.669 5.781 . 0 0 "[ . 1 . 2]" 1
233 1 46 TYR HA 1 49 LEU CD1 4.000 . 6.500 5.021 4.022 5.697 . 0 0 "[ . 1 . 2]" 1
234 1 48 VAL HA 1 51 GLN CG 5.000 . 7.000 4.469 4.242 5.122 . 0 0 "[ . 1 . 2]" 1
235 1 48 VAL CG1 1 52 GLN HE21 5.000 . 7.500 4.974 2.429 6.888 . 0 0 "[ . 1 . 2]" 1
236 1 48 VAL CG1 1 52 GLN HE22 5.000 . 7.500 4.867 3.356 6.305 . 0 0 "[ . 1 . 2]" 1
237 1 50 SER HA 1 53 GLN CG 5.000 . 7.000 5.871 3.384 6.531 . 0 0 "[ . 1 . 2]" 1
238 1 5 LEU H 1 6 GLU H 4.000 . 5.000 4.471 4.020 4.552 . 0 0 "[ . 1 . 2]" 1
239 1 6 GLU H 1 7 VAL H 4.000 . 5.000 4.449 3.984 4.544 . 0 0 "[ . 1 . 2]" 1
240 1 7 VAL H 1 8 ASP H 4.000 . 5.000 4.170 2.145 4.555 . 0 0 "[ . 1 . 2]" 1
241 1 9 GLU H 1 10 ARG H 4.000 . 5.000 4.441 4.342 4.529 . 0 0 "[ . 1 . 2]" 1
242 1 12 GLN H 1 13 ASP H 4.000 . 5.000 4.217 1.833 4.547 . 0 0 "[ . 1 . 2]" 1
243 1 13 ASP H 1 14 ASP H 4.000 . 5.000 3.422 1.821 4.498 . 0 0 "[ . 1 . 2]" 1
244 1 14 ASP H 1 15 GLU H 4.000 . 5.000 2.396 2.349 2.469 . 0 0 "[ . 1 . 2]" 1
245 1 15 GLU H 1 16 GLU H 3.000 . 3.700 2.403 2.367 2.464 . 0 0 "[ . 1 . 2]" 1
246 1 16 GLU H 1 17 ALA H 3.000 . 3.700 2.423 2.374 2.494 . 0 0 "[ . 1 . 2]" 1
247 1 17 ALA H 1 18 ARG H 3.000 . 3.700 2.429 2.365 2.516 . 0 0 "[ . 1 . 2]" 1
248 1 18 ARG H 1 19 ARG H 3.000 . 3.700 2.412 2.361 2.469 . 0 0 "[ . 1 . 2]" 1
249 1 19 ARG H 1 20 GLU H 3.000 . 3.700 2.446 2.395 2.470 . 0 0 "[ . 1 . 2]" 1
250 1 20 GLU H 1 21 MET H 3.000 . 3.700 2.551 2.508 2.597 . 0 0 "[ . 1 . 2]" 1
251 1 21 MET H 1 22 ALA H 3.000 . 3.700 2.498 2.488 2.515 . 0 0 "[ . 1 . 2]" 1
252 1 22 ALA H 1 23 ARG H 3.000 . 3.700 2.441 2.419 2.464 . 0 0 "[ . 1 . 2]" 1
253 1 23 ARG H 1 24 ILE H 3.000 . 3.700 2.447 2.411 2.484 . 0 0 "[ . 1 . 2]" 1
254 1 24 ILE H 1 25 LEU H 3.000 . 3.700 2.484 2.466 2.503 . 0 0 "[ . 1 . 2]" 1
255 1 25 LEU H 1 26 LYS H 3.000 . 3.700 2.459 2.436 2.488 . 0 0 "[ . 1 . 2]" 1
256 1 26 LYS H 1 27 GLU H 3.000 . 3.700 2.441 2.413 2.463 . 0 0 "[ . 1 . 2]" 1
257 1 27 GLU H 1 28 LEU H 3.000 . 3.700 2.406 2.384 2.424 . 0 0 "[ . 1 . 2]" 1
258 1 28 LEU H 1 29 LYS H 3.000 . 3.700 2.387 2.361 2.416 . 0 0 "[ . 1 . 2]" 1
259 1 29 LYS H 1 30 GLN H 3.000 . 3.700 2.358 2.350 2.364 . 0 0 "[ . 1 . 2]" 1
260 1 30 GLN H 1 31 LYS H 2.500 . 2.900 2.379 2.358 2.408 . 0 0 "[ . 1 . 2]" 1
261 1 31 LYS H 1 32 HIS H 2.500 . 2.900 2.325 2.287 2.375 . 0 0 "[ . 1 . 2]" 1
262 1 34 GLU H 1 35 LYS H 2.500 . 2.900 2.434 2.372 2.514 . 0 0 "[ . 1 . 2]" 1
263 1 35 LYS H 1 36 GLU H 5.000 . 6.000 4.537 4.532 4.543 . 0 0 "[ . 1 . 2]" 1
264 1 36 GLU H 1 37 ILE H 5.000 . 6.000 4.588 4.566 4.610 . 0 0 "[ . 1 . 2]" 1
265 1 37 ILE H 1 38 GLU H 3.000 . 3.700 2.597 2.579 2.621 . 0 0 "[ . 1 . 2]" 1
266 1 38 GLU H 1 39 GLN H 3.000 . 3.700 2.545 2.501 2.601 . 0 0 "[ . 1 . 2]" 1
267 1 39 GLN H 1 40 LEU H 3.000 . 3.700 2.463 2.425 2.507 . 0 0 "[ . 1 . 2]" 1
268 1 40 LEU H 1 41 ILE H 2.500 . 2.900 2.462 2.413 2.514 . 0 0 "[ . 1 . 2]" 1
269 1 41 ILE H 1 42 GLU H 3.000 . 3.700 2.380 2.370 2.427 . 0 0 "[ . 1 . 2]" 1
270 1 42 GLU H 1 43 LEU H 3.000 . 3.700 2.476 2.466 2.509 . 0 0 "[ . 1 . 2]" 1
271 1 43 LEU H 1 44 ALA H 3.000 . 3.700 2.421 2.404 2.443 . 0 0 "[ . 1 . 2]" 1
272 1 44 ALA H 1 45 ASN H 3.000 . 3.700 2.533 2.492 2.572 . 0 0 "[ . 1 . 2]" 1
273 1 45 ASN H 1 46 TYR H 3.000 . 3.700 2.450 2.420 2.489 . 0 0 "[ . 1 . 2]" 1
274 1 46 TYR H 1 47 GLN H 3.000 . 3.700 2.449 2.416 2.476 . 0 0 "[ . 1 . 2]" 1
275 1 47 GLN H 1 48 VAL H 3.000 . 3.700 2.436 2.415 2.465 . 0 0 "[ . 1 . 2]" 1
276 1 48 VAL H 1 49 LEU H 3.000 . 3.700 2.423 2.390 2.454 . 0 0 "[ . 1 . 2]" 1
277 1 50 SER H 1 51 GLN H 5.000 . 6.000 2.433 2.423 2.444 . 0 0 "[ . 1 . 2]" 1
278 1 3 ALA HA 1 4 VAL H 2.500 . 2.900 2.210 2.134 2.282 . 0 0 "[ . 1 . 2]" 1
279 1 4 VAL HA 1 5 LEU H 2.500 . 2.900 2.176 2.121 2.271 . 0 0 "[ . 1 . 2]" 1
280 1 5 LEU HA 1 6 GLU H 2.500 . 2.900 2.216 2.133 2.261 . 0 0 "[ . 1 . 2]" 1
281 1 6 GLU HA 1 7 VAL H 2.500 . 2.900 2.215 2.130 2.277 . 0 0 "[ . 1 . 2]" 1
282 1 7 VAL HA 1 8 ASP H 2.500 . 2.900 2.391 2.241 3.066 0.166 3 0 "[ . 1 . 2]" 1
283 1 8 ASP HA 1 9 GLU H 2.500 . 2.900 2.220 2.127 2.934 0.034 1 0 "[ . 1 . 2]" 1
284 1 9 GLU HA 1 10 ARG H 2.500 . 2.900 2.214 2.158 2.270 . 0 0 "[ . 1 . 2]" 1
285 1 10 ARG HA 1 11 ASP H 2.500 . 2.900 2.197 2.143 2.264 . 0 0 "[ . 1 . 2]" 1
286 1 11 ASP HA 1 12 GLN H 2.500 . 2.900 2.244 2.163 2.288 . 0 0 "[ . 1 . 2]" 1
287 1 12 GLN HA 1 13 ASP H 3.000 . 3.700 2.336 2.132 3.548 . 0 0 "[ . 1 . 2]" 1
288 1 14 ASP HA 1 15 GLU H 3.000 . 3.700 3.467 3.405 3.535 . 0 0 "[ . 1 . 2]" 1
289 1 16 GLU HA 1 17 ALA H 3.000 . 3.700 3.499 3.470 3.527 . 0 0 "[ . 1 . 2]" 1
290 1 17 ALA HA 1 18 ARG H 4.000 . 5.000 3.506 3.481 3.525 . 0 0 "[ . 1 . 2]" 1
291 1 19 ARG HA 1 20 GLU H 4.000 . 5.000 3.516 3.481 3.539 . 0 0 "[ . 1 . 2]" 1
292 1 20 GLU HA 1 21 MET H 4.000 . 5.000 3.539 3.517 3.563 . 0 0 "[ . 1 . 2]" 1
293 1 21 MET HA 1 22 ALA H 4.000 . 5.000 3.488 3.458 3.510 . 0 0 "[ . 1 . 2]" 1
294 1 22 ALA HA 1 23 ARG H 4.000 . 5.000 3.457 3.440 3.473 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG HA 1 24 ILE H 3.000 . 3.700 3.535 3.521 3.542 . 0 0 "[ . 1 . 2]" 1
296 1 24 ILE HA 1 25 LEU H 4.000 . 5.000 3.519 3.506 3.527 . 0 0 "[ . 1 . 2]" 1
297 1 25 LEU HA 1 26 LYS H 4.000 . 5.000 3.510 3.494 3.519 . 0 0 "[ . 1 . 2]" 1
298 1 26 LYS HA 1 27 GLU H 4.000 . 5.000 3.467 3.453 3.477 . 0 0 "[ . 1 . 2]" 1
299 1 27 GLU HA 1 28 LEU H 4.000 . 5.000 3.519 3.505 3.534 . 0 0 "[ . 1 . 2]" 1
300 1 28 LEU HA 1 29 LYS H 3.000 . 3.700 3.457 3.444 3.468 . 0 0 "[ . 1 . 2]" 1
301 1 29 LYS HA 1 30 GLN H 4.000 . 5.000 3.515 3.505 3.524 . 0 0 "[ . 1 . 2]" 1
302 1 31 LYS HA 1 32 HIS H 3.000 . 3.700 3.546 3.529 3.557 . 0 0 "[ . 1 . 2]" 1
303 1 33 PRO HA 1 34 GLU H 4.000 . 5.000 3.407 3.371 3.477 . 0 0 "[ . 1 . 2]" 1
304 1 35 LYS HA 1 36 GLU H 2.500 . 2.900 2.168 2.166 2.172 . 0 0 "[ . 1 . 2]" 1
305 1 36 GLU HA 1 37 ILE H 2.500 . 2.900 2.514 2.466 2.546 . 0 0 "[ . 1 . 2]" 1
306 1 37 ILE HA 1 38 GLU H 4.000 . 5.000 3.476 3.456 3.508 . 0 0 "[ . 1 . 2]" 1
307 1 38 GLU HA 1 39 GLN H 4.000 . 5.000 3.513 3.489 3.522 . 0 0 "[ . 1 . 2]" 1
308 1 39 GLN HA 1 40 LEU H 4.000 . 5.000 3.455 3.450 3.456 . 0 0 "[ . 1 . 2]" 1
309 1 40 LEU HA 1 41 ILE H 4.000 . 5.000 3.524 3.502 3.538 . 0 0 "[ . 1 . 2]" 1
310 1 41 ILE HA 1 42 GLU H 4.000 . 5.000 3.476 3.463 3.531 . 0 0 "[ . 1 . 2]" 1
311 1 42 GLU HA 1 43 LEU H 4.000 . 5.000 3.536 3.520 3.542 . 0 0 "[ . 1 . 2]" 1
312 1 43 LEU HA 1 44 ALA H 3.000 . 3.700 3.487 3.475 3.504 . 0 0 "[ . 1 . 2]" 1
313 1 44 ALA HA 1 45 ASN H 4.000 . 5.000 3.544 3.517 3.555 . 0 0 "[ . 1 . 2]" 1
314 1 45 ASN HA 1 46 TYR H 3.000 . 3.700 3.486 3.475 3.507 . 0 0 "[ . 1 . 2]" 1
315 1 46 TYR HA 1 47 GLN H 3.000 . 3.700 3.472 3.451 3.487 . 0 0 "[ . 1 . 2]" 1
316 1 47 GLN HA 1 48 VAL H 3.000 . 3.700 3.537 3.521 3.547 . 0 0 "[ . 1 . 2]" 1
317 1 48 VAL HA 1 49 LEU H 3.000 . 3.700 3.464 3.445 3.497 . 0 0 "[ . 1 . 2]" 1
318 1 49 LEU HA 1 50 SER H 3.000 . 3.700 3.518 3.500 3.530 . 0 0 "[ . 1 . 2]" 1
319 1 50 SER HA 1 51 GLN H 3.000 . 3.700 3.481 3.466 3.502 . 0 0 "[ . 1 . 2]" 1
320 1 56 ARG HA 1 57 ALA H 2.500 . 2.900 2.208 2.156 2.262 . 0 0 "[ . 1 . 2]" 1
321 1 3 ALA CB 1 4 VAL H 4.000 . 6.500 3.307 3.153 3.494 . 0 0 "[ . 1 . 2]" 1
322 1 4 VAL HB 1 5 LEU H 4.000 . 5.000 3.260 2.698 4.195 . 0 0 "[ . 1 . 2]" 1
323 1 5 LEU CB 1 6 GLU H 4.000 . 6.000 3.289 3.187 3.453 . 0 0 "[ . 1 . 2]" 1
324 1 6 GLU CB 1 7 VAL H 3.000 . 4.700 3.294 3.165 3.489 . 0 0 "[ . 1 . 2]" 1
325 1 7 VAL HB 1 8 ASP H 3.000 . 3.700 3.719 3.642 3.815 0.115 19 0 "[ . 1 . 2]" 1
326 1 8 ASP CB 1 9 GLU H 4.000 . 6.000 3.418 3.236 3.934 . 0 0 "[ . 1 . 2]" 1
327 1 11 ASP HB2 1 12 GLN H 4.000 . 5.000 4.025 3.924 4.210 . 0 0 "[ . 1 . 2]" 1
328 1 11 ASP HB3 1 12 GLN H 4.000 . 5.000 2.922 2.713 3.678 . 0 0 "[ . 1 . 2]" 1
329 1 12 GLN HB2 1 13 ASP H 4.000 . 5.000 4.029 2.676 4.341 . 0 0 "[ . 1 . 2]" 1
330 1 12 GLN HB3 1 13 ASP H 4.000 . 5.000 3.215 2.778 3.791 . 0 0 "[ . 1 . 2]" 1
331 1 14 ASP CB 1 15 GLU H 3.000 . 4.700 3.353 3.168 3.496 . 0 0 "[ . 1 . 2]" 1
332 1 16 GLU CB 1 17 ALA H 3.000 . 4.700 3.289 3.200 3.373 . 0 0 "[ . 1 . 2]" 1
333 1 17 ALA CB 1 18 ARG H 3.000 . 5.200 3.276 3.205 3.341 . 0 0 "[ . 1 . 2]" 1
334 1 19 ARG CB 1 20 GLU H 3.000 . 4.700 3.230 3.163 3.338 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU CB 1 21 MET H 3.000 . 4.700 3.125 3.033 3.204 . 0 0 "[ . 1 . 2]" 1
336 1 21 MET CB 1 22 ALA H 3.000 . 4.700 3.294 3.223 3.372 . 0 0 "[ . 1 . 2]" 1
337 1 22 ALA CB 1 23 ARG H 3.000 . 5.200 3.398 3.355 3.424 . 0 0 "[ . 1 . 2]" 1
338 1 24 ILE HB 1 25 LEU H 3.000 . 3.700 2.916 2.864 2.990 . 0 0 "[ . 1 . 2]" 1
339 1 25 LEU CB 1 26 LYS H 4.000 . 6.000 3.267 3.228 3.317 . 0 0 "[ . 1 . 2]" 1
340 1 26 LYS CB 1 27 GLU H 3.000 . 4.700 3.379 3.360 3.406 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU CB 1 29 LYS H 3.000 . 4.700 3.396 3.370 3.419 . 0 0 "[ . 1 . 2]" 1
342 1 29 LYS HB2 1 30 GLN H 3.000 . 3.700 3.197 2.889 3.706 0.006 8 0 "[ . 1 . 2]" 1
343 1 29 LYS HB3 1 30 GLN H 3.000 . 3.700 3.347 2.815 3.659 . 0 0 "[ . 1 . 2]" 1
344 1 30 GLN CB 1 31 LYS H 3.000 . 4.700 3.351 3.293 3.408 . 0 0 "[ . 1 . 2]" 1
345 1 31 LYS HB2 1 32 HIS H 3.000 . 3.700 2.736 2.700 2.814 . 0 0 "[ . 1 . 2]" 1
346 1 31 LYS HB3 1 32 HIS H 3.000 . 3.700 3.531 3.476 3.598 . 0 0 "[ . 1 . 2]" 1
347 1 33 PRO CB 1 34 GLU H 4.000 . 6.000 3.487 3.341 3.554 . 0 0 "[ . 1 . 2]" 1
348 1 34 GLU CB 1 35 LYS H 4.000 . 6.000 3.682 3.630 3.759 . 0 0 "[ . 1 . 2]" 1
349 1 35 LYS CB 1 36 GLU H 3.000 . 4.700 3.354 3.346 3.366 . 0 0 "[ . 1 . 2]" 1
350 1 36 GLU CB 1 37 ILE H 3.000 . 4.700 2.852 2.811 2.908 . 0 0 "[ . 1 . 2]" 1
351 1 37 ILE HB 1 38 GLU H 4.000 . 5.000 3.870 3.766 4.027 . 0 0 "[ . 1 . 2]" 1
352 1 38 GLU CB 1 39 GLN H 3.000 . 4.700 3.200 3.158 3.294 . 0 0 "[ . 1 . 2]" 1
353 1 40 LEU HB3 1 41 ILE H 4.000 . 5.000 3.641 3.517 3.782 . 0 0 "[ . 1 . 2]" 1
354 1 40 LEU HB2 1 41 ILE H 4.000 . 5.000 2.903 2.815 3.039 . 0 0 "[ . 1 . 2]" 1
355 1 41 ILE HB 1 42 GLU H 3.000 . 3.700 3.088 2.884 3.135 . 0 0 "[ . 1 . 2]" 1
356 1 42 GLU CB 1 43 LEU H 3.000 . 4.700 3.167 3.141 3.281 . 0 0 "[ . 1 . 2]" 1
357 1 43 LEU HB3 1 44 ALA H 4.000 . 5.000 3.814 3.755 3.858 . 0 0 "[ . 1 . 2]" 1
358 1 43 LEU HB2 1 44 ALA H 3.000 . 3.700 3.008 2.942 3.064 . 0 0 "[ . 1 . 2]" 1
359 1 44 ALA CB 1 45 ASN H 3.000 . 5.200 3.123 3.078 3.191 . 0 0 "[ . 1 . 2]" 1
360 1 45 ASN HB3 1 46 TYR H 3.000 . 3.700 3.705 3.638 3.723 0.023 6 0 "[ . 1 . 2]" 1
361 1 45 ASN HB2 1 46 TYR H 3.000 . 3.700 3.061 2.921 3.112 . 0 0 "[ . 1 . 2]" 1
362 1 46 TYR CB 1 47 GLN H 3.000 . 4.700 3.376 3.339 3.429 . 0 0 "[ . 1 . 2]" 1
363 1 47 GLN CB 1 48 VAL H 3.000 . 4.700 3.174 3.126 3.241 . 0 0 "[ . 1 . 2]" 1
364 1 48 VAL HB 1 49 LEU H 3.000 . 3.700 3.123 3.009 3.196 . 0 0 "[ . 1 . 2]" 1
365 1 49 LEU HB2 1 50 SER H 3.000 . 3.700 3.562 2.914 3.724 0.024 5 0 "[ . 1 . 2]" 1
366 1 49 LEU HB3 1 50 SER H 3.000 . 3.700 2.944 2.734 3.707 0.007 12 0 "[ . 1 . 2]" 1
367 1 50 SER HB2 1 51 GLN H 4.000 . 5.000 3.918 3.851 3.966 . 0 0 "[ . 1 . 2]" 1
368 1 50 SER HB3 1 51 GLN H 4.000 . 5.000 4.158 4.098 4.195 . 0 0 "[ . 1 . 2]" 1
369 1 7 VAL CG1 1 8 ASP H 4.000 . 6.500 3.276 2.824 4.869 . 0 0 "[ . 1 . 2]" 1
370 1 7 VAL CG2 1 8 ASP H 4.000 . 6.500 4.351 2.446 4.641 . 0 0 "[ . 1 . 2]" 1
371 1 12 GLN CG 1 13 ASP H 5.000 . 7.000 4.111 3.083 4.583 . 0 0 "[ . 1 . 2]" 1
372 1 16 GLU CG 1 17 ALA H 4.000 . 6.000 4.609 4.534 4.672 . 0 0 "[ . 1 . 2]" 1
373 1 19 ARG CG 1 20 GLU H 4.000 . 6.000 4.589 4.529 4.673 . 0 0 "[ . 1 . 2]" 1
374 1 20 GLU CG 1 21 MET H 5.000 . 7.000 4.411 2.814 4.564 . 0 0 "[ . 1 . 2]" 1
375 1 21 MET CG 1 22 ALA H 4.000 . 6.000 4.632 4.549 4.742 . 0 0 "[ . 1 . 2]" 1
376 1 23 ARG CG 1 24 ILE H 4.000 . 6.000 4.566 4.512 4.603 . 0 0 "[ . 1 . 2]" 1
377 1 24 ILE CG2 1 25 LEU H 4.000 . 6.500 4.420 4.357 4.467 . 0 0 "[ . 1 . 2]" 1
378 1 24 ILE CG1 1 25 LEU H 4.000 . 6.500 4.333 4.301 4.395 . 0 0 "[ . 1 . 2]" 1
379 1 25 LEU HG 1 26 LYS H 4.000 . 6.000 4.698 4.633 5.143 . 0 0 "[ . 1 . 2]" 1
380 1 26 LYS CG 1 27 GLU H 5.000 . 7.000 4.720 4.703 4.749 . 0 0 "[ . 1 . 2]" 1
381 1 27 GLU CG 1 28 LEU H 4.000 . 6.000 4.602 4.495 4.751 . 0 0 "[ . 1 . 2]" 1
382 1 28 LEU CD2 1 29 LYS H 5.000 . 7.500 5.727 5.712 5.747 . 0 0 "[ . 1 . 2]" 1
383 1 29 LYS CG 1 30 GLN H 4.000 . 6.000 4.581 4.507 4.627 . 0 0 "[ . 1 . 2]" 1
384 1 29 LYS CD 1 30 GLN H 5.000 . 7.000 5.561 5.495 5.616 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLN HG2 1 31 LYS H 5.000 . 6.000 4.946 4.620 5.167 . 0 0 "[ . 1 . 2]" 1
386 1 30 GLN HG3 1 31 LYS H 5.000 . 6.000 4.848 4.592 5.237 . 0 0 "[ . 1 . 2]" 1
387 1 31 LYS H 1 32 HIS HD2 5.000 . 6.000 4.352 4.202 4.610 . 0 0 "[ . 1 . 2]" 1
388 1 31 LYS HB2 1 32 HIS HD2 5.000 . 6.000 2.650 2.579 2.822 . 0 0 "[ . 1 . 2]" 1
389 1 31 LYS HB3 1 32 HIS HD2 5.000 . 6.000 2.969 2.771 3.186 . 0 0 "[ . 1 . 2]" 1
390 1 31 LYS HG2 1 32 HIS H 5.000 . 6.000 5.087 5.070 5.108 . 0 0 "[ . 1 . 2]" 1
391 1 31 LYS HG3 1 32 HIS H 5.000 . 6.000 4.570 4.535 4.629 . 0 0 "[ . 1 . 2]" 1
392 1 32 HIS HA 1 33 PRO CG 5.000 . 7.000 4.034 3.980 4.071 . 0 0 "[ . 1 . 2]" 1
393 1 32 HIS H 1 33 PRO HD2 4.000 . 5.000 4.966 4.881 5.012 0.012 14 0 "[ . 1 . 2]" 1
394 1 32 HIS H 1 33 PRO HD3 4.000 . 5.000 3.815 3.637 4.113 . 0 0 "[ . 1 . 2]" 1
395 1 32 HIS HA 1 33 PRO HD2 3.000 . 3.700 2.578 2.310 2.767 . 0 0 "[ . 1 . 2]" 1
396 1 32 HIS HA 1 33 PRO HD3 3.000 . 3.700 2.271 2.193 2.392 . 0 0 "[ . 1 . 2]" 1
397 1 33 PRO HD3 1 34 GLU H 3.000 . 3.700 3.712 3.614 3.825 0.125 15 0 "[ . 1 . 2]" 1
398 1 34 GLU CG 1 35 LYS H 4.000 . 6.000 4.912 4.867 4.956 . 0 0 "[ . 1 . 2]" 1
399 1 35 LYS CG 1 36 GLU H 5.000 . 7.000 4.237 4.184 4.261 . 0 0 "[ . 1 . 2]" 1
400 1 35 LYS CD 1 36 GLU H 4.000 . 6.000 5.361 5.306 5.401 . 0 0 "[ . 1 . 2]" 1
401 1 36 GLU CG 1 37 ILE H 4.000 . 6.000 3.784 2.630 3.959 . 0 0 "[ . 1 . 2]" 1
402 1 37 ILE CG2 1 38 GLU HA 5.000 . 7.500 6.078 4.388 6.179 . 0 0 "[ . 1 . 2]" 1
403 1 37 ILE CG2 1 38 GLU H 3.000 . 5.200 4.628 3.015 4.753 . 0 0 "[ . 1 . 2]" 1
404 1 37 ILE CD1 1 38 GLU H 4.000 . 6.500 3.452 3.127 5.666 . 0 0 "[ . 1 . 2]" 1
405 1 39 GLN CG 1 40 LEU H 4.000 . 6.000 4.684 4.678 4.689 . 0 0 "[ . 1 . 2]" 1
406 1 41 ILE CG2 1 42 GLU H 4.000 . 6.500 4.510 4.335 4.542 . 0 0 "[ . 1 . 2]" 1
407 1 42 GLU CG 1 43 LEU H 5.000 . 7.000 4.450 3.081 4.548 . 0 0 "[ . 1 . 2]" 1
408 1 43 LEU HG 1 44 ALA H 5.000 . 6.000 4.683 4.657 4.784 . 0 0 "[ . 1 . 2]" 1
409 1 43 LEU CD1 1 44 ALA H 4.000 . 6.500 5.462 5.406 5.548 . 0 0 "[ . 1 . 2]" 1
410 1 43 LEU CD2 1 44 ALA H 4.000 . 6.500 5.705 5.673 5.725 . 0 0 "[ . 1 . 2]" 1
411 1 46 TYR CG 1 47 GLN H 4.000 . 7.000 4.684 4.607 4.830 . 0 0 "[ . 1 . 2]" 1
412 1 47 GLN CG 1 48 VAL H 5.000 . 7.000 4.561 4.446 4.625 . 0 0 "[ . 1 . 2]" 1
413 1 48 VAL CG1 1 49 LEU H 4.000 . 6.500 4.532 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
414 1 48 VAL CG2 1 49 LEU H 4.000 . 6.500 4.452 4.389 4.487 . 0 0 "[ . 1 . 2]" 1
415 1 4 VAL H 1 4 VAL HA 3.000 . 3.700 2.900 2.267 2.942 . 0 0 "[ . 1 . 2]" 1
416 1 4 VAL H 1 4 VAL HB 3.000 . 3.700 3.632 3.075 3.726 0.026 19 0 "[ . 1 . 2]" 1
417 1 4 VAL CG2 1 4 VAL H 3.000 . 5.200 2.809 2.567 4.394 . 0 0 "[ . 1 . 2]" 1
418 1 5 LEU H 1 5 LEU HA 3.000 . 3.700 2.907 2.264 2.949 . 0 0 "[ . 1 . 2]" 1
419 1 5 LEU CB 1 5 LEU H 2.500 . 3.900 2.754 2.664 3.215 . 0 0 "[ . 1 . 2]" 1
420 1 5 LEU H 1 5 LEU HG 3.000 . 3.700 3.246 1.907 3.712 0.012 18 0 "[ . 1 . 2]" 1
421 1 5 LEU CG 1 5 LEU H 4.000 . 6.500 3.350 2.703 3.621 . 0 0 "[ . 1 . 2]" 1
422 1 6 GLU H 1 6 GLU HA 3.000 . 3.700 2.910 2.266 2.950 . 0 0 "[ . 1 . 2]" 1
423 1 6 GLU CB 1 6 GLU H 3.000 . 4.700 2.782 2.669 3.217 . 0 0 "[ . 1 . 2]" 1
424 1 6 GLU CG 1 6 GLU H 4.000 . 6.000 3.591 3.369 4.294 . 0 0 "[ . 1 . 2]" 1
425 1 7 VAL H 1 7 VAL HA 3.000 . 3.700 2.944 2.930 2.954 . 0 0 "[ . 1 . 2]" 1
426 1 7 VAL H 1 7 VAL HB 2.500 . 2.900 2.830 2.779 2.901 0.001 4 0 "[ . 1 . 2]" 1
427 1 7 VAL CG1 1 7 VAL H 4.000 . 6.500 4.116 2.849 4.332 . 0 0 "[ . 1 . 2]" 1
428 1 7 VAL CG2 1 7 VAL H 3.000 . 5.200 3.125 2.811 4.253 . 0 0 "[ . 1 . 2]" 1
429 1 7 VAL HA 1 7 VAL HB 3.000 . 3.700 2.966 2.497 3.024 . 0 0 "[ . 1 . 2]" 1
430 1 8 ASP H 1 8 ASP HA 3.000 . 3.700 2.942 2.928 2.951 . 0 0 "[ . 1 . 2]" 1
431 1 8 ASP H 1 8 ASP HB2 3.000 . 3.700 2.572 2.403 3.713 0.013 13 0 "[ . 1 . 2]" 1
432 1 8 ASP H 1 8 ASP HB3 3.000 . 3.700 3.530 2.808 3.719 0.019 10 0 "[ . 1 . 2]" 1
433 1 9 GLU H 1 9 GLU HA 3.000 . 3.700 2.947 2.942 2.949 . 0 0 "[ . 1 . 2]" 1
434 1 9 GLU H 1 9 GLU HB2 3.000 . 3.700 2.535 2.431 2.652 . 0 0 "[ . 1 . 2]" 1
435 1 9 GLU H 1 9 GLU HB3 3.000 . 3.700 3.661 2.880 3.728 0.028 5 0 "[ . 1 . 2]" 1
436 1 9 GLU CG 1 9 GLU H 4.000 . 6.000 3.628 3.440 4.218 . 0 0 "[ . 1 . 2]" 1
437 1 10 ARG CB 1 10 ARG H 3.000 . 4.700 2.825 2.650 3.219 . 0 0 "[ . 1 . 2]" 1
438 1 10 ARG CG 1 10 ARG H 4.000 . 6.000 3.626 3.359 4.306 . 0 0 "[ . 1 . 2]" 1
439 1 11 ASP H 1 11 ASP HB2 4.000 . 5.000 2.574 2.411 2.880 . 0 0 "[ . 1 . 2]" 1
440 1 11 ASP H 1 11 ASP HB3 4.000 . 5.000 3.640 2.931 3.852 . 0 0 "[ . 1 . 2]" 1
441 1 12 GLN H 1 12 GLN HA 3.000 . 3.700 2.941 2.927 2.950 . 0 0 "[ . 1 . 2]" 1
442 1 12 GLN H 1 12 GLN HB2 3.000 . 3.700 2.517 2.378 2.830 . 0 0 "[ . 1 . 2]" 1
443 1 12 GLN H 1 12 GLN HB3 3.000 . 3.700 3.523 2.846 3.735 0.035 11 0 "[ . 1 . 2]" 1
444 1 12 GLN CG 1 12 GLN H 3.000 . 4.700 3.632 3.323 4.308 . 0 0 "[ . 1 . 2]" 1
445 1 13 ASP H 1 13 ASP HA 3.000 . 3.700 2.940 2.913 2.949 . 0 0 "[ . 1 . 2]" 1
446 1 14 ASP H 1 14 ASP HA 3.000 . 3.700 2.895 2.885 2.902 . 0 0 "[ . 1 . 2]" 1
447 1 13 ASP CB 1 13 ASP H 2.500 . 3.900 2.787 2.619 2.912 . 0 0 "[ . 1 . 2]" 1
448 1 14 ASP CB 1 14 ASP H 2.500 . 3.900 2.589 2.577 2.597 . 0 0 "[ . 1 . 2]" 1
449 1 15 GLU H 1 15 GLU HA 3.000 . 3.700 2.892 2.881 2.898 . 0 0 "[ . 1 . 2]" 1
450 1 15 GLU CB 1 15 GLU H 2.500 . 3.900 2.588 2.574 2.596 . 0 0 "[ . 1 . 2]" 1
451 1 15 GLU CG 1 15 GLU H 4.000 . 6.000 3.267 3.141 4.049 . 0 0 "[ . 1 . 2]" 1
452 1 16 GLU H 1 16 GLU HA 2.500 . 2.900 2.887 2.876 2.896 . 0 0 "[ . 1 . 2]" 1
453 1 16 GLU CB 1 16 GLU H 3.000 . 4.700 2.584 2.571 2.596 . 0 0 "[ . 1 . 2]" 1
454 1 16 GLU CG 1 16 GLU H 4.000 . 6.000 3.248 3.097 4.032 . 0 0 "[ . 1 . 2]" 1
455 1 17 ALA H 1 17 ALA HA 2.500 . 2.900 2.888 2.869 2.901 0.001 2 0 "[ . 1 . 2]" 1
456 1 17 ALA CB 1 17 ALA H 2.500 . 4.400 2.574 2.555 2.593 . 0 0 "[ . 1 . 2]" 1
457 1 18 ARG H 1 18 ARG HA 2.500 . 2.900 2.888 2.874 2.899 . 0 0 "[ . 1 . 2]" 1
458 1 18 ARG CB 1 18 ARG H 3.000 . 4.700 2.586 2.572 2.599 . 0 0 "[ . 1 . 2]" 1
459 1 18 ARG CG 1 18 ARG H 3.000 . 4.700 3.320 3.165 4.032 . 0 0 "[ . 1 . 2]" 1
460 1 18 ARG CD 1 18 ARG H 4.000 . 6.000 4.434 4.309 4.947 . 0 0 "[ . 1 . 2]" 1
461 1 19 ARG CB 1 19 ARG H 3.000 . 4.700 2.580 2.574 2.585 . 0 0 "[ . 1 . 2]" 1
462 1 19 ARG H 1 19 ARG HG2 4.000 . 5.000 3.886 3.803 3.957 . 0 0 "[ . 1 . 2]" 1
463 1 19 ARG H 1 19 ARG HG3 4.000 . 5.000 2.769 2.683 2.871 . 0 0 "[ . 1 . 2]" 1
464 1 19 ARG CD 1 19 ARG H 4.000 . 6.000 4.340 4.285 4.417 . 0 0 "[ . 1 . 2]" 1
465 1 20 GLU H 1 20 GLU HA 2.500 . 2.900 2.862 2.855 2.870 . 0 0 "[ . 1 . 2]" 1
466 1 20 GLU H 1 20 GLU HB2 3.000 . 3.700 2.389 2.297 3.628 . 0 0 "[ . 1 . 2]" 1
467 1 20 GLU H 1 20 GLU HB3 3.000 . 3.700 3.534 2.765 3.582 . 0 0 "[ . 1 . 2]" 1
468 1 20 GLU CG 1 20 GLU H 3.000 . 4.700 3.107 2.648 3.178 . 0 0 "[ . 1 . 2]" 1
469 1 21 MET H 1 21 MET HA 2.500 . 2.900 2.864 2.860 2.868 . 0 0 "[ . 1 . 2]" 1
470 1 21 MET CB 1 21 MET H 2.500 . 3.900 2.556 2.550 2.565 . 0 0 "[ . 1 . 2]" 1
471 1 21 MET H 1 21 MET HG3 4.000 . 5.000 3.701 2.597 4.460 . 0 0 "[ . 1 . 2]" 1
472 1 21 MET H 1 21 MET HG2 4.000 . 5.000 4.296 3.755 4.564 . 0 0 "[ . 1 . 2]" 1
473 1 21 MET CE 1 21 MET HA 4.000 . 6.500 5.088 4.251 5.235 . 0 0 "[ . 1 . 2]" 1
474 1 22 ALA H 1 22 ALA HA 2.500 . 2.900 2.881 2.874 2.885 . 0 0 "[ . 1 . 2]" 1
475 1 22 ALA CB 1 22 ALA H 2.500 . 4.400 2.563 2.557 2.569 . 0 0 "[ . 1 . 2]" 1
476 1 23 ARG H 1 23 ARG HA 2.500 . 2.900 2.888 2.882 2.894 . 0 0 "[ . 1 . 2]" 1
477 1 23 ARG H 1 23 ARG HB2 3.000 . 3.700 2.294 2.270 2.320 . 0 0 "[ . 1 . 2]" 1
478 1 23 ARG H 1 23 ARG HB3 3.000 . 3.700 3.533 2.888 3.578 . 0 0 "[ . 1 . 2]" 1
479 1 23 ARG CG 1 23 ARG H 4.000 . 6.000 3.273 3.184 4.001 . 0 0 "[ . 1 . 2]" 1
480 1 23 ARG H 1 23 ARG HD2 5.000 . 6.000 4.310 4.099 4.937 . 0 0 "[ . 1 . 2]" 1
481 1 23 ARG H 1 23 ARG HD3 5.000 . 6.000 4.875 4.150 5.098 . 0 0 "[ . 1 . 2]" 1
482 1 23 ARG HA 1 23 ARG HG2 4.000 . 5.000 2.474 2.420 2.797 . 0 0 "[ . 1 . 2]" 1
483 1 23 ARG HA 1 23 ARG HG3 4.000 . 5.000 2.862 2.394 2.943 . 0 0 "[ . 1 . 2]" 1
484 1 24 ILE H 1 24 ILE HA 2.500 . 2.900 2.882 2.878 2.885 . 0 0 "[ . 1 . 2]" 1
485 1 24 ILE H 1 24 ILE HB 2.500 . 2.900 2.734 2.657 2.763 . 0 0 "[ . 1 . 2]" 1
486 1 24 ILE H 1 24 ILE HG12 3.000 . 3.700 3.541 3.501 3.632 . 0 0 "[ . 1 . 2]" 1
487 1 24 ILE H 1 24 ILE HG13 3.000 . 3.700 2.010 1.956 2.131 . 0 0 "[ . 1 . 2]" 1
488 1 24 ILE CG2 1 24 ILE H 3.000 . 5.200 4.137 4.132 4.142 . 0 0 "[ . 1 . 2]" 1
489 1 24 ILE CD1 1 24 ILE H 4.000 . 6.500 3.633 3.593 3.702 . 0 0 "[ . 1 . 2]" 1
490 1 24 ILE HA 1 24 ILE HG12 3.000 . 3.700 2.955 2.889 2.986 . 0 0 "[ . 1 . 2]" 1
491 1 24 ILE HA 1 24 ILE HG13 3.000 . 3.700 2.925 2.871 2.947 . 0 0 "[ . 1 . 2]" 1
492 1 24 ILE CG2 1 24 ILE HA 3.000 . 5.200 2.668 2.651 2.714 . 0 0 "[ . 1 . 2]" 1
493 1 24 ILE CD1 1 24 ILE HA 4.000 . 6.500 4.350 4.313 4.365 . 0 0 "[ . 1 . 2]" 1
494 1 25 LEU H 1 25 LEU HA 2.500 . 2.900 2.882 2.876 2.889 . 0 0 "[ . 1 . 2]" 1
495 1 25 LEU H 1 25 LEU HB2 3.000 . 3.700 2.342 2.156 2.368 . 0 0 "[ . 1 . 2]" 1
496 1 25 LEU H 1 25 LEU HB3 3.000 . 3.700 3.581 3.445 3.597 . 0 0 "[ . 1 . 2]" 1
497 1 25 LEU H 1 25 LEU HG 4.000 . 5.000 2.815 2.693 4.037 . 0 0 "[ . 1 . 2]" 1
498 1 25 LEU CD1 1 25 LEU H 5.000 . 7.500 3.968 3.379 4.088 . 0 0 "[ . 1 . 2]" 1
499 1 25 LEU CD2 1 25 LEU H 5.000 . 7.500 4.451 4.398 4.769 . 0 0 "[ . 1 . 2]" 1
500 1 25 LEU HA 1 25 LEU HG 4.000 . 5.000 2.735 2.280 2.793 . 0 0 "[ . 1 . 2]" 1
501 1 25 LEU CD1 1 25 LEU HA 4.000 . 6.500 4.159 3.313 4.213 . 0 0 "[ . 1 . 2]" 1
502 1 25 LEU CD2 1 25 LEU HA 3.000 . 5.200 2.995 2.919 3.974 . 0 0 "[ . 1 . 2]" 1
503 1 26 LYS H 1 26 LYS HA 2.500 . 2.900 2.886 2.881 2.891 . 0 0 "[ . 1 . 2]" 1
504 1 26 LYS CB 1 26 LYS H 2.500 . 3.900 2.583 2.577 2.587 . 0 0 "[ . 1 . 2]" 1
505 1 26 LYS CG 1 26 LYS H 4.000 . 6.000 3.290 3.224 4.030 . 0 0 "[ . 1 . 2]" 1
506 1 26 LYS CD 1 26 LYS H 4.000 . 6.000 4.395 4.343 4.941 . 0 0 "[ . 1 . 2]" 1
507 1 26 LYS CE 1 26 LYS HA 5.000 . 7.000 5.042 5.006 5.054 . 0 0 "[ . 1 . 2]" 1
508 1 27 GLU H 1 27 GLU HA 2.500 . 2.900 2.894 2.891 2.898 . 0 0 "[ . 1 . 2]" 1
509 1 27 GLU CB 1 27 GLU H 3.000 . 4.700 2.591 2.579 2.597 . 0 0 "[ . 1 . 2]" 1
510 1 27 GLU CG 1 27 GLU H 3.000 . 4.700 3.317 3.225 4.037 . 0 0 "[ . 1 . 2]" 1
511 1 28 LEU H 1 28 LEU HA 2.500 . 2.900 2.897 2.891 2.902 0.002 11 0 "[ . 1 . 2]" 1
512 1 28 LEU H 1 28 LEU HB2 4.000 . 5.000 2.402 2.375 2.411 . 0 0 "[ . 1 . 2]" 1
513 1 28 LEU H 1 28 LEU HB3 3.000 . 3.700 3.611 3.602 3.615 . 0 0 "[ . 1 . 2]" 1
514 1 28 LEU H 1 28 LEU HG 3.000 . 3.700 2.690 2.647 2.742 . 0 0 "[ . 1 . 2]" 1
515 1 28 LEU CD1 1 28 LEU H 4.000 . 6.500 3.975 3.912 4.014 . 0 0 "[ . 1 . 2]" 1
516 1 28 LEU CD2 1 28 LEU H 4.000 . 6.500 4.397 4.368 4.440 . 0 0 "[ . 1 . 2]" 1
517 1 28 LEU HA 1 28 LEU HB2 3.000 . 3.700 3.015 3.011 3.017 . 0 0 "[ . 1 . 2]" 1
518 1 28 LEU HA 1 28 LEU HB3 3.000 . 3.700 2.517 2.511 2.534 . 0 0 "[ . 1 . 2]" 1
519 1 28 LEU CD1 1 28 LEU HA 4.000 . 6.500 4.233 4.212 4.238 . 0 0 "[ . 1 . 2]" 1
520 1 28 LEU CD2 1 28 LEU HA 3.000 . 5.200 2.972 2.953 3.005 . 0 0 "[ . 1 . 2]" 1
521 1 29 LYS H 1 29 LYS HA 2.500 . 2.900 2.902 2.901 2.903 0.003 10 0 "[ . 1 . 2]" 1
522 1 29 LYS H 1 29 LYS HB2 3.000 . 3.700 2.313 2.275 2.374 . 0 0 "[ . 1 . 2]" 1
523 1 29 LYS H 1 29 LYS HB3 3.000 . 3.700 3.307 2.813 3.573 . 0 0 "[ . 1 . 2]" 1
524 1 29 LYS CG 1 29 LYS H 4.000 . 6.000 3.565 3.269 4.060 . 0 0 "[ . 1 . 2]" 1
525 1 29 LYS H 1 29 LYS HG2 4.000 . 5.000 4.205 3.960 4.596 . 0 0 "[ . 1 . 2]" 1
526 1 29 LYS H 1 29 LYS HG3 4.000 . 5.000 3.392 2.846 4.330 . 0 0 "[ . 1 . 2]" 1
527 1 30 GLN H 1 30 GLN HA 2.500 . 2.900 2.899 2.895 2.902 0.002 19 0 "[ . 1 . 2]" 1
528 1 30 GLN CB 1 30 GLN H 2.500 . 3.900 2.595 2.591 2.600 . 0 0 "[ . 1 . 2]" 1
529 1 30 GLN H 1 30 GLN HG2 3.000 . 3.700 3.333 2.745 3.721 0.021 3 0 "[ . 1 . 2]" 1
530 1 30 GLN H 1 30 GLN HG3 3.000 . 3.700 3.084 2.643 3.715 0.015 15 0 "[ . 1 . 2]" 1
531 1 31 LYS H 1 31 LYS HA 3.000 . 3.700 2.918 2.911 2.923 . 0 0 "[ . 1 . 2]" 1
532 1 31 LYS CB 1 31 LYS H 2.500 . 3.900 2.631 2.620 2.642 . 0 0 "[ . 1 . 2]" 1
533 1 31 LYS H 1 31 LYS HG2 4.000 . 5.000 3.960 3.934 3.993 . 0 0 "[ . 1 . 2]" 1
534 1 31 LYS H 1 31 LYS HG3 4.000 . 5.000 2.869 2.839 2.914 . 0 0 "[ . 1 . 2]" 1
535 1 31 LYS CD 1 31 LYS H 5.000 . 7.000 4.433 4.409 4.458 . 0 0 "[ . 1 . 2]" 1
536 1 31 LYS HA 1 31 LYS HG2 3.000 . 3.700 2.471 2.446 2.497 . 0 0 "[ . 1 . 2]" 1
537 1 31 LYS HA 1 31 LYS HG3 3.000 . 3.700 2.941 2.895 2.960 . 0 0 "[ . 1 . 2]" 1
538 1 31 LYS CD 1 31 LYS HA 3.000 . 4.700 4.117 4.097 4.132 . 0 0 "[ . 1 . 2]" 1
539 1 32 HIS H 1 32 HIS HA 3.000 . 3.700 2.943 2.936 2.947 . 0 0 "[ . 1 . 2]" 1
540 1 32 HIS H 1 32 HIS HB2 4.000 . 5.000 2.497 2.432 2.594 . 0 0 "[ . 1 . 2]" 1
541 1 32 HIS H 1 32 HIS HB3 3.000 . 3.700 3.695 3.655 3.754 0.054 15 0 "[ . 1 . 2]" 1
542 1 32 HIS H 1 32 HIS HD2 4.000 . 5.000 3.083 2.964 3.282 . 0 0 "[ . 1 . 2]" 1
543 1 32 HIS HA 1 32 HIS HB2 3.000 . 3.700 3.020 3.018 3.025 . 0 0 "[ . 1 . 2]" 1
544 1 32 HIS HB2 1 32 HIS HD2 4.000 . 5.000 2.875 2.811 2.894 . 0 0 "[ . 1 . 2]" 1
545 1 32 HIS HB3 1 32 HIS HD2 4.000 . 5.000 3.936 3.903 3.943 . 0 0 "[ . 1 . 2]" 1
546 1 34 GLU H 1 34 GLU HA 3.000 . 3.700 2.917 2.909 2.922 . 0 0 "[ . 1 . 2]" 1
547 1 34 GLU CB 1 34 GLU H 3.000 . 4.700 2.622 2.601 2.631 . 0 0 "[ . 1 . 2]" 1
548 1 34 GLU CG 1 34 GLU H 3.000 . 4.700 3.403 3.254 4.104 . 0 0 "[ . 1 . 2]" 1
549 1 34 GLU HA 1 34 GLU HG2 3.000 . 3.700 2.597 2.463 3.678 . 0 0 "[ . 1 . 2]" 1
550 1 34 GLU HA 1 34 GLU HG3 3.000 . 3.700 2.988 2.431 3.718 0.018 17 0 "[ . 1 . 2]" 1
551 1 35 LYS H 1 35 LYS HB3 3.000 . 3.700 3.585 3.568 3.593 . 0 0 "[ . 1 . 2]" 1
552 1 35 LYS H 1 35 LYS HB2 2.500 . 2.900 2.324 2.298 2.335 . 0 0 "[ . 1 . 2]" 1
553 1 35 LYS CG 1 35 LYS H 3.000 . 4.700 3.350 3.328 3.393 . 0 0 "[ . 1 . 2]" 1
554 1 35 LYS HA 1 35 LYS HD2 5.000 . 6.000 4.609 4.592 4.620 . 0 0 "[ . 1 . 2]" 1
555 1 35 LYS HA 1 35 LYS HD3 5.000 . 6.000 4.308 4.270 4.338 . 0 0 "[ . 1 . 2]" 1
556 1 35 LYS CE 1 35 LYS HA 5.000 . 7.000 5.048 5.015 5.065 . 0 0 "[ . 1 . 2]" 1
557 1 36 GLU H 1 36 GLU HA 3.000 . 3.700 2.888 2.874 2.905 . 0 0 "[ . 1 . 2]" 1
558 1 36 GLU CB 1 36 GLU H 3.000 . 4.700 2.575 2.550 2.593 . 0 0 "[ . 1 . 2]" 1
559 1 36 GLU CG 1 36 GLU H 3.000 . 4.700 3.254 3.130 4.002 . 0 0 "[ . 1 . 2]" 1
560 1 36 GLU HA 1 36 GLU HG2 4.000 . 5.000 2.579 2.474 3.602 . 0 0 "[ . 1 . 2]" 1
561 1 36 GLU HA 1 36 GLU HG3 4.000 . 5.000 2.902 2.346 3.741 . 0 0 "[ . 1 . 2]" 1
562 1 37 ILE H 1 37 ILE HB 3.000 . 3.700 3.578 2.513 3.638 . 0 0 "[ . 1 . 2]" 1
563 1 37 ILE CG1 1 37 ILE H 3.000 . 4.700 2.636 2.550 4.100 . 0 0 "[ . 1 . 2]" 1
564 1 37 ILE CG2 1 37 ILE H 3.000 . 5.200 3.138 2.828 3.173 . 0 0 "[ . 1 . 2]" 1
565 1 37 ILE HA 1 37 ILE HB 3.000 . 3.700 2.542 2.498 2.553 . 0 0 "[ . 1 . 2]" 1
566 1 37 ILE HA 1 37 ILE HG12 4.000 . 5.000 4.161 3.739 4.189 . 0 0 "[ . 1 . 2]" 1
567 1 37 ILE HA 1 37 ILE HG13 4.000 . 5.000 3.527 2.650 3.577 . 0 0 "[ . 1 . 2]" 1
568 1 37 ILE CD1 1 37 ILE HA 4.000 . 6.500 4.311 3.030 4.381 . 0 0 "[ . 1 . 2]" 1
569 1 38 GLU H 1 38 GLU HA 2.500 . 2.900 2.858 2.843 2.869 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLU CB 1 38 GLU H 2.500 . 3.900 2.561 2.548 2.569 . 0 0 "[ . 1 . 2]" 1
571 1 38 GLU CG 1 38 GLU H 3.000 . 4.700 3.121 3.041 3.987 . 0 0 "[ . 1 . 2]" 1
572 1 38 GLU HA 1 38 GLU HG2 4.000 . 5.000 2.470 2.441 2.787 . 0 0 "[ . 1 . 2]" 1
573 1 38 GLU HA 1 38 GLU HG3 4.000 . 5.000 2.965 2.433 3.012 . 0 0 "[ . 1 . 2]" 1
574 1 39 GLN H 1 39 GLN HA 3.000 . 3.700 2.876 2.865 2.884 . 0 0 "[ . 1 . 2]" 1
575 1 40 LEU H 1 40 LEU HA 3.000 . 3.700 2.883 2.873 2.891 . 0 0 "[ . 1 . 2]" 1
576 1 40 LEU H 1 40 LEU HB3 3.000 . 3.700 3.561 3.531 3.577 . 0 0 "[ . 1 . 2]" 1
577 1 40 LEU H 1 40 LEU HB2 2.500 . 2.900 2.297 2.247 2.329 . 0 0 "[ . 1 . 2]" 1
578 1 40 LEU H 1 40 LEU HG 3.000 . 3.700 2.889 2.805 3.003 . 0 0 "[ . 1 . 2]" 1
579 1 40 LEU CD1 1 40 LEU H 4.000 . 6.500 3.884 3.835 3.945 . 0 0 "[ . 1 . 2]" 1
580 1 40 LEU CD2 1 40 LEU H 4.000 . 6.500 4.560 4.502 4.635 . 0 0 "[ . 1 . 2]" 1
581 1 40 LEU HA 1 40 LEU HB3 3.000 . 3.700 2.574 2.555 2.605 . 0 0 "[ . 1 . 2]" 1
582 1 40 LEU HA 1 40 LEU HG 4.000 . 5.000 2.586 2.487 2.658 . 0 0 "[ . 1 . 2]" 1
583 1 40 LEU CD1 1 40 LEU HA 4.000 . 6.500 4.150 4.109 4.178 . 0 0 "[ . 1 . 2]" 1
584 1 40 LEU CD2 1 40 LEU HA 2.500 . 4.400 3.051 2.993 3.110 . 0 0 "[ . 1 . 2]" 1
585 1 41 ILE H 1 41 ILE HA 3.000 . 3.700 2.901 2.897 2.902 . 0 0 "[ . 1 . 2]" 1
586 1 41 ILE H 1 41 ILE HB 2.500 . 2.900 2.703 2.664 2.722 . 0 0 "[ . 1 . 2]" 1
587 1 41 ILE H 1 41 ILE HG12 3.000 . 3.700 3.647 3.626 3.703 0.003 6 0 "[ . 1 . 2]" 1
588 1 41 ILE H 1 41 ILE HG13 3.000 . 3.700 2.142 2.108 2.209 . 0 0 "[ . 1 . 2]" 1
589 1 41 ILE CG2 1 41 ILE H 4.000 . 6.500 4.159 4.155 4.161 . 0 0 "[ . 1 . 2]" 1
590 1 41 ILE CD1 1 41 ILE H 4.000 . 6.500 3.724 3.687 3.751 . 0 0 "[ . 1 . 2]" 1
591 1 41 ILE CG2 1 41 ILE HA 3.000 . 5.200 2.686 2.672 2.714 . 0 0 "[ . 1 . 2]" 1
592 1 41 ILE CD1 1 41 ILE HA 4.000 . 6.500 4.336 4.308 4.348 . 0 0 "[ . 1 . 2]" 1
593 1 42 GLU H 1 42 GLU HA 2.500 . 2.900 2.884 2.879 2.887 . 0 0 "[ . 1 . 2]" 1
594 1 42 GLU CB 1 42 GLU H 2.500 . 3.900 2.581 2.567 2.610 . 0 0 "[ . 1 . 2]" 1
595 1 42 GLU H 1 42 GLU HG2 4.000 . 5.000 3.781 1.934 4.574 . 0 0 "[ . 1 . 2]" 1
596 1 42 GLU H 1 42 GLU HG3 4.000 . 5.000 2.941 2.684 4.257 . 0 0 "[ . 1 . 2]" 1
597 1 43 LEU H 1 43 LEU HA 2.500 . 2.900 2.889 2.886 2.893 . 0 0 "[ . 1 . 2]" 1
598 1 43 LEU H 1 43 LEU HB3 3.000 . 3.700 3.593 3.575 3.600 . 0 0 "[ . 1 . 2]" 1
599 1 43 LEU H 1 43 LEU HB2 2.500 . 2.900 2.362 2.314 2.378 . 0 0 "[ . 1 . 2]" 1
600 1 43 LEU H 1 43 LEU HG 2.500 . 2.900 2.749 2.715 2.893 . 0 0 "[ . 1 . 2]" 1
601 1 43 LEU CD1 1 43 LEU H 4.000 . 6.500 3.976 3.937 4.079 . 0 0 "[ . 1 . 2]" 1
602 1 43 LEU CD2 1 43 LEU H 4.000 . 6.500 4.442 4.417 4.532 . 0 0 "[ . 1 . 2]" 1
603 1 43 LEU HA 1 43 LEU HB3 2.500 . 2.900 2.541 2.529 2.580 . 0 0 "[ . 1 . 2]" 1
604 1 43 LEU HA 1 43 LEU HB2 3.000 . 3.700 3.012 3.003 3.014 . 0 0 "[ . 1 . 2]" 1
605 1 43 LEU CD1 1 43 LEU HA 4.000 . 6.500 4.209 4.180 4.216 . 0 0 "[ . 1 . 2]" 1
606 1 43 LEU CD2 1 43 LEU HA 3.000 . 5.200 2.966 2.928 2.996 . 0 0 "[ . 1 . 2]" 1
607 1 44 ALA H 1 44 ALA HA 2.500 . 2.900 2.870 2.862 2.875 . 0 0 "[ . 1 . 2]" 1
608 1 44 ALA CB 1 44 ALA H 3.000 . 5.200 2.559 2.553 2.563 . 0 0 "[ . 1 . 2]" 1
609 1 45 ASN H 1 45 ASN HA 2.500 . 2.900 2.878 2.870 2.883 . 0 0 "[ . 1 . 2]" 1
610 1 45 ASN H 1 45 ASN HB3 3.000 . 3.700 3.544 3.533 3.571 . 0 0 "[ . 1 . 2]" 1
611 1 45 ASN H 1 45 ASN HB2 2.500 . 2.900 2.258 2.240 2.321 . 0 0 "[ . 1 . 2]" 1
612 1 45 ASN H 1 45 ASN HD21 5.000 . 6.000 2.575 2.406 4.759 . 0 0 "[ . 1 . 2]" 1
613 1 45 ASN H 1 45 ASN HD22 5.000 . 6.000 4.012 3.897 4.981 . 0 0 "[ . 1 . 2]" 1
614 1 45 ASN HB2 1 45 ASN HD21 3.000 . 3.700 2.286 2.251 2.862 . 0 0 "[ . 1 . 2]" 1
615 1 45 ASN HB2 1 45 ASN HD22 3.000 . 3.700 3.502 3.487 3.744 0.044 3 0 "[ . 1 . 2]" 1
616 1 46 TYR H 1 46 TYR HA 2.500 . 2.900 2.882 2.876 2.890 . 0 0 "[ . 1 . 2]" 1
617 1 46 TYR CB 1 46 TYR H 2.500 . 3.900 2.570 2.562 2.587 . 0 0 "[ . 1 . 2]" 1
618 1 46 TYR CG 1 46 TYR H 3.000 . 5.700 3.905 3.472 4.044 . 0 0 "[ . 1 . 2]" 1
619 1 46 TYR CG 1 46 TYR HA 3.000 . 5.700 2.606 2.536 2.633 . 0 0 "[ . 1 . 2]" 1
620 1 47 GLN H 1 47 GLN HA 2.500 . 2.900 2.892 2.888 2.895 . 0 0 "[ . 1 . 2]" 1
621 1 47 GLN H 1 47 GLN HB2 3.000 . 3.700 2.279 2.238 2.333 . 0 0 "[ . 1 . 2]" 1
622 1 47 GLN H 1 47 GLN HB3 3.000 . 3.700 3.484 2.849 3.573 . 0 0 "[ . 1 . 2]" 1
623 1 47 GLN H 1 47 GLN HG2 4.000 . 5.000 4.042 3.899 4.582 . 0 0 "[ . 1 . 2]" 1
624 1 47 GLN H 1 47 GLN HG3 4.000 . 5.000 3.016 2.782 4.280 . 0 0 "[ . 1 . 2]" 1
625 1 48 VAL H 1 48 VAL HA 2.500 . 2.900 2.893 2.887 2.902 0.002 3 0 "[ . 1 . 2]" 1
626 1 48 VAL H 1 48 VAL HB 2.500 . 2.900 2.680 2.639 2.712 . 0 0 "[ . 1 . 2]" 1
627 1 48 VAL CG1 1 48 VAL H 4.000 . 6.500 4.139 4.131 4.149 . 0 0 "[ . 1 . 2]" 1
628 1 48 VAL CG2 1 48 VAL H 2.500 . 4.400 2.772 2.727 2.831 . 0 0 "[ . 1 . 2]" 1
629 1 48 VAL CG1 1 48 VAL HA 2.500 . 4.400 2.704 2.685 2.729 . 0 0 "[ . 1 . 2]" 1
630 1 48 VAL CG2 1 48 VAL HA 2.500 . 4.400 2.857 2.829 2.877 . 0 0 "[ . 1 . 2]" 1
631 1 49 LEU H 1 49 LEU HA 2.500 . 2.900 2.895 2.882 2.898 . 0 0 "[ . 1 . 2]" 1
632 1 49 LEU H 1 49 LEU HB2 3.000 . 3.700 2.346 2.169 2.386 . 0 0 "[ . 1 . 2]" 1
633 1 49 LEU H 1 49 LEU HB3 3.000 . 3.700 2.926 2.757 3.591 . 0 0 "[ . 1 . 2]" 1
634 1 49 LEU H 1 49 LEU HG 4.000 . 5.000 4.183 2.829 4.533 . 0 0 "[ . 1 . 2]" 1
635 1 49 LEU CD1 1 49 LEU H 4.000 . 6.500 4.611 4.043 4.849 . 0 0 "[ . 1 . 2]" 1
636 1 49 LEU CD2 1 49 LEU H 4.000 . 6.500 4.930 4.493 5.015 . 0 0 "[ . 1 . 2]" 1
637 1 49 LEU HA 1 49 LEU HB2 3.000 . 3.700 2.695 2.613 3.009 . 0 0 "[ . 1 . 2]" 1
638 1 49 LEU HA 1 49 LEU HB3 3.000 . 3.700 2.918 2.556 2.998 . 0 0 "[ . 1 . 2]" 1
639 1 49 LEU CD1 1 49 LEU HA 4.000 . 6.500 3.569 3.026 4.198 . 0 0 "[ . 1 . 2]" 1
640 1 49 LEU CD2 1 49 LEU HA 3.000 . 5.200 3.706 2.929 4.150 . 0 0 "[ . 1 . 2]" 1
641 1 50 SER H 1 50 SER HA 2.500 . 2.900 2.886 2.884 2.887 . 0 0 "[ . 1 . 2]" 1
642 1 50 SER H 1 50 SER HB2 3.000 . 3.700 3.614 3.609 3.621 . 0 0 "[ . 1 . 2]" 1
643 1 50 SER H 1 50 SER HB3 3.000 . 3.700 2.756 2.730 2.771 . 0 0 "[ . 1 . 2]" 1
644 1 50 SER HA 1 50 SER HB2 2.500 . 2.900 2.497 2.481 2.505 . 0 0 "[ . 1 . 2]" 1
645 1 50 SER HA 1 50 SER HB3 2.500 . 2.900 2.416 2.406 2.431 . 0 0 "[ . 1 . 2]" 1
646 1 51 GLN H 1 51 GLN HA 2.500 . 2.900 2.893 2.892 2.895 . 0 0 "[ . 1 . 2]" 1
647 1 51 GLN CB 1 51 GLN H 3.000 . 4.700 2.590 2.579 2.594 . 0 0 "[ . 1 . 2]" 1
648 1 51 GLN CG 1 51 GLN H 4.000 . 6.000 3.265 3.196 4.035 . 0 0 "[ . 1 . 2]" 1
649 1 52 GLN H 1 52 GLN HA 3.000 . 3.700 2.914 2.901 2.921 . 0 0 "[ . 1 . 2]" 1
650 1 52 GLN CB 1 52 GLN H 2.500 . 3.900 2.622 2.607 2.641 . 0 0 "[ . 1 . 2]" 1
651 1 52 GLN CG 1 52 GLN H 4.000 . 6.000 3.569 3.186 4.100 . 0 0 "[ . 1 . 2]" 1
652 1 53 GLN H 1 53 GLN HA 3.000 . 3.700 2.839 2.264 2.950 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 56
_Distance_constraint_stats_list.Viol_count 491
_Distance_constraint_stats_list.Viol_total 133.352
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0060
_Distance_constraint_stats_list.Viol_average_violations_only 0.0136
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 13 ASP 0.371 0.031 19 0 "[ . 1 . 2]"
1 14 ASP 0.205 0.014 2 0 "[ . 1 . 2]"
1 15 GLU 0.408 0.033 15 0 "[ . 1 . 2]"
1 16 GLU 0.157 0.015 12 0 "[ . 1 . 2]"
1 17 ALA 0.568 0.036 8 0 "[ . 1 . 2]"
1 18 ARG 0.424 0.015 16 0 "[ . 1 . 2]"
1 19 ARG 0.944 0.035 18 0 "[ . 1 . 2]"
1 20 GLU 0.593 0.032 6 0 "[ . 1 . 2]"
1 21 MET 0.361 0.036 8 0 "[ . 1 . 2]"
1 22 ALA 0.273 0.015 16 0 "[ . 1 . 2]"
1 23 ARG 0.844 0.035 18 0 "[ . 1 . 2]"
1 24 ILE 0.741 0.032 6 0 "[ . 1 . 2]"
1 25 LEU 0.387 0.017 8 0 "[ . 1 . 2]"
1 26 LYS 0.223 0.016 16 0 "[ . 1 . 2]"
1 27 GLU 0.461 0.021 18 0 "[ . 1 . 2]"
1 28 LEU 0.305 0.023 16 0 "[ . 1 . 2]"
1 29 LYS 0.223 0.017 8 0 "[ . 1 . 2]"
1 30 GLN 0.170 0.016 16 0 "[ . 1 . 2]"
1 31 LYS 0.152 0.011 8 0 "[ . 1 . 2]"
1 37 ILE 0.076 0.013 9 0 "[ . 1 . 2]"
1 38 GLU 0.497 0.040 6 0 "[ . 1 . 2]"
1 39 GLN 0.020 0.011 6 0 "[ . 1 . 2]"
1 40 LEU 0.076 0.010 6 0 "[ . 1 . 2]"
1 41 ILE 0.172 0.013 9 0 "[ . 1 . 2]"
1 42 GLU 0.908 0.040 6 0 "[ . 1 . 2]"
1 43 LEU 0.369 0.027 14 0 "[ . 1 . 2]"
1 44 ALA 0.616 0.035 12 0 "[ . 1 . 2]"
1 45 ASN 0.294 0.018 16 0 "[ . 1 . 2]"
1 46 TYR 0.576 0.027 2 0 "[ . 1 . 2]"
1 47 GLN 0.463 0.027 14 0 "[ . 1 . 2]"
1 48 VAL 0.762 0.035 12 0 "[ . 1 . 2]"
1 49 LEU 0.198 0.018 16 0 "[ . 1 . 2]"
1 50 SER 0.165 0.012 17 0 "[ . 1 . 2]"
1 51 GLN 0.114 0.015 14 0 "[ . 1 . 2]"
1 52 GLN 0.221 0.022 4 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 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 13 ASP O 1 17 ALA N 3.300 2.500 3.500 3.321 3.279 3.374 . 0 0 "[ . 1 . 2]" 2
2 1 13 ASP O 1 17 ALA H 2.300 . 2.500 2.519 2.508 2.531 0.031 19 0 "[ . 1 . 2]" 2
3 1 14 ASP O 1 18 ARG N 3.300 2.500 3.500 3.307 3.256 3.343 . 0 0 "[ . 1 . 2]" 2
4 1 14 ASP O 1 18 ARG H 2.300 . 2.500 2.510 2.506 2.514 0.014 2 0 "[ . 1 . 2]" 2
5 1 15 GLU O 1 19 ARG N 3.300 2.500 3.500 3.322 3.290 3.353 . 0 0 "[ . 1 . 2]" 2
6 1 15 GLU O 1 19 ARG H 2.300 . 2.500 2.520 2.514 2.533 0.033 15 0 "[ . 1 . 2]" 2
7 1 16 GLU O 1 20 GLU N 3.300 2.500 3.500 3.339 3.266 3.380 . 0 0 "[ . 1 . 2]" 2
8 1 16 GLU O 1 20 GLU H 2.300 . 2.500 2.508 2.498 2.515 0.015 12 0 "[ . 1 . 2]" 2
9 1 17 ALA O 1 21 MET N 3.300 2.500 3.500 3.400 3.339 3.469 . 0 0 "[ . 1 . 2]" 2
10 1 17 ALA O 1 21 MET H 2.300 . 2.500 2.510 2.501 2.536 0.036 8 0 "[ . 1 . 2]" 2
11 1 18 ARG O 1 22 ALA N 3.300 2.500 3.500 3.271 3.236 3.331 . 0 0 "[ . 1 . 2]" 2
12 1 18 ARG O 1 22 ALA H 2.300 . 2.500 2.511 2.506 2.515 0.015 16 0 "[ . 1 . 2]" 2
13 1 19 ARG O 1 23 ARG N 3.300 2.500 3.500 3.209 3.154 3.248 . 0 0 "[ . 1 . 2]" 2
14 1 19 ARG O 1 23 ARG H 2.300 . 2.500 2.527 2.517 2.535 0.035 18 0 "[ . 1 . 2]" 2
15 1 20 GLU O 1 24 ILE N 3.300 2.500 3.500 3.408 3.388 3.428 . 0 0 "[ . 1 . 2]" 2
16 1 20 GLU O 1 24 ILE H 2.300 . 2.500 2.522 2.510 2.532 0.032 6 0 "[ . 1 . 2]" 2
17 1 21 MET O 1 25 LEU N 3.300 2.500 3.500 3.362 3.224 3.394 . 0 0 "[ . 1 . 2]" 2
18 1 21 MET O 1 25 LEU H 2.300 . 2.500 2.503 2.395 2.517 0.017 8 0 "[ . 1 . 2]" 2
19 1 22 ALA O 1 26 LYS N 3.300 2.500 3.500 3.276 3.213 3.323 . 0 0 "[ . 1 . 2]" 2
20 1 22 ALA O 1 26 LYS H 2.300 . 2.500 2.477 2.393 2.510 0.010 16 0 "[ . 1 . 2]" 2
21 1 23 ARG O 1 27 GLU N 3.300 2.500 3.500 3.261 3.221 3.283 . 0 0 "[ . 1 . 2]" 2
22 1 23 ARG O 1 27 GLU H 2.300 . 2.500 2.515 2.509 2.521 0.021 18 0 "[ . 1 . 2]" 2
23 1 24 ILE O 1 28 LEU N 3.300 2.500 3.500 3.369 3.326 3.401 . 0 0 "[ . 1 . 2]" 2
24 1 24 ILE O 1 28 LEU H 2.300 . 2.500 2.515 2.508 2.523 0.023 16 0 "[ . 1 . 2]" 2
25 1 25 LEU O 1 29 LYS N 3.300 2.500 3.500 3.255 3.229 3.278 . 0 0 "[ . 1 . 2]" 2
26 1 25 LEU O 1 29 LYS H 2.300 . 2.500 2.511 2.506 2.517 0.017 8 0 "[ . 1 . 2]" 2
27 1 26 LYS O 1 30 GLN N 3.300 2.500 3.500 3.334 3.294 3.353 . 0 0 "[ . 1 . 2]" 2
28 1 26 LYS O 1 30 GLN H 2.300 . 2.500 2.507 2.471 2.516 0.016 16 0 "[ . 1 . 2]" 2
29 1 27 GLU O 1 31 LYS N 3.300 2.500 3.500 3.276 3.253 3.306 . 0 0 "[ . 1 . 2]" 2
30 1 27 GLU O 1 31 LYS H 2.300 . 2.500 2.508 2.504 2.511 0.011 8 0 "[ . 1 . 2]" 2
31 1 37 ILE O 1 41 ILE N 3.300 2.500 3.500 3.357 3.301 3.392 . 0 0 "[ . 1 . 2]" 2
32 1 37 ILE O 1 41 ILE H 2.300 . 2.500 2.503 2.490 2.513 0.013 9 0 "[ . 1 . 2]" 2
33 1 38 GLU O 1 42 GLU N 3.300 2.500 3.500 3.314 3.288 3.443 . 0 0 "[ . 1 . 2]" 2
34 1 38 GLU O 1 42 GLU H 2.300 . 2.500 2.525 2.518 2.540 0.040 6 0 "[ . 1 . 2]" 2
35 1 39 GLN O 1 43 LEU N 3.300 2.500 3.500 3.309 3.207 3.381 . 0 0 "[ . 1 . 2]" 2
36 1 39 GLN O 1 43 LEU H 2.300 . 2.500 2.434 2.336 2.511 0.011 6 0 "[ . 1 . 2]" 2
37 1 40 LEU O 1 44 ALA N 3.300 2.500 3.500 3.282 3.261 3.311 . 0 0 "[ . 1 . 2]" 2
38 1 40 LEU O 1 44 ALA H 2.300 . 2.500 2.500 2.459 2.510 0.010 6 0 "[ . 1 . 2]" 2
39 1 41 ILE O 1 45 ASN N 3.300 2.500 3.500 3.393 3.339 3.420 . 0 0 "[ . 1 . 2]" 2
40 1 41 ILE O 1 45 ASN H 2.300 . 2.500 2.502 2.456 2.510 0.010 6 0 "[ . 1 . 2]" 2
41 1 42 GLU O 1 46 TYR N 3.300 2.500 3.500 3.300 3.273 3.333 . 0 0 "[ . 1 . 2]" 2
42 1 42 GLU O 1 46 TYR H 2.300 . 2.500 2.521 2.513 2.527 0.027 2 0 "[ . 1 . 2]" 2
43 1 43 LEU O 1 47 GLN N 3.300 2.500 3.500 3.234 3.199 3.272 . 0 0 "[ . 1 . 2]" 2
44 1 43 LEU O 1 47 GLN H 2.300 . 2.500 2.517 2.512 2.527 0.027 14 0 "[ . 1 . 2]" 2
45 1 44 ALA O 1 48 VAL N 3.300 2.500 3.500 3.424 3.391 3.445 . 0 0 "[ . 1 . 2]" 2
46 1 44 ALA O 1 48 VAL H 2.300 . 2.500 2.527 2.520 2.535 0.035 12 0 "[ . 1 . 2]" 2
47 1 45 ASN O 1 49 LEU N 3.300 2.500 3.500 3.247 3.204 3.326 . 0 0 "[ . 1 . 2]" 2
48 1 45 ASN O 1 49 LEU H 2.300 . 2.500 2.504 2.442 2.518 0.018 16 0 "[ . 1 . 2]" 2
49 1 46 TYR O 1 50 SER N 3.300 2.500 3.500 3.335 3.285 3.371 . 0 0 "[ . 1 . 2]" 2
50 1 46 TYR O 1 50 SER H 2.300 . 2.500 2.508 2.502 2.512 0.012 17 0 "[ . 1 . 2]" 2
51 1 47 GLN O 1 51 GLN N 3.300 2.500 3.500 3.291 3.262 3.328 . 0 0 "[ . 1 . 2]" 2
52 1 47 GLN O 1 51 GLN H 2.300 . 2.500 2.504 2.485 2.515 0.015 14 0 "[ . 1 . 2]" 2
53 1 48 VAL O 1 52 GLN N 3.300 2.500 3.500 3.358 3.287 3.428 . 0 0 "[ . 1 . 2]" 2
54 1 48 VAL O 1 52 GLN H 2.300 . 2.500 2.509 2.462 2.522 0.022 4 0 "[ . 1 . 2]" 2
55 1 49 LEU O 1 53 GLN N 3.300 2.500 3.500 2.956 2.802 3.279 . 0 0 "[ . 1 . 2]" 2
56 1 49 LEU O 1 53 GLN H 2.300 . 2.500 2.168 2.055 2.372 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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