NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567505 |
2mbh   |
19399 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbh
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 955
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 119.506
_Distance_constraint_stats_list.Viol_max 0.156
_Distance_constraint_stats_list.Viol_rms 0.0050
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0190
_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
2 1 MET 0.065 0.008 7 0 "[ . 1 . 2]"
2 2 GLN 0.025 0.008 4 0 "[ . 1 . 2]"
2 3 ILE 0.009 0.005 11 0 "[ . 1 . 2]"
2 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LYS 0.021 0.014 18 0 "[ . 1 . 2]"
2 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 THR 0.005 0.005 11 0 "[ . 1 . 2]"
2 10 GLY 0.005 0.005 11 0 "[ . 1 . 2]"
2 11 LYS 0.478 0.060 11 0 "[ . 1 . 2]"
2 12 THR 0.195 0.018 3 0 "[ . 1 . 2]"
2 13 ILE 0.245 0.060 11 0 "[ . 1 . 2]"
2 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.110 0.012 2 0 "[ . 1 . 2]"
2 16 GLU 2.731 0.156 5 0 "[ . 1 . 2]"
2 17 VAL 0.101 0.012 2 0 "[ . 1 . 2]"
2 18 GLU 0.004 0.002 14 0 "[ . 1 . 2]"
2 19 PRO 0.002 0.002 4 0 "[ . 1 . 2]"
2 20 SER 0.014 0.005 13 0 "[ . 1 . 2]"
2 21 ASP 0.006 0.002 14 0 "[ . 1 . 2]"
2 22 THR 0.034 0.006 5 0 "[ . 1 . 2]"
2 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 GLU 0.135 0.009 5 0 "[ . 1 . 2]"
2 25 ASN 0.034 0.006 5 0 "[ . 1 . 2]"
2 26 VAL 0.025 0.004 12 0 "[ . 1 . 2]"
2 27 LYS 0.005 0.005 8 0 "[ . 1 . 2]"
2 28 ALA 0.159 0.021 6 0 "[ . 1 . 2]"
2 29 LYS 0.050 0.013 6 0 "[ . 1 . 2]"
2 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 GLN 0.179 0.021 6 0 "[ . 1 . 2]"
2 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ILE 0.000 0.000 4 0 "[ . 1 . 2]"
2 37 PRO 0.012 0.005 5 0 "[ . 1 . 2]"
2 38 PRO 0.013 0.003 10 0 "[ . 1 . 2]"
2 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 GLN 0.027 0.013 7 0 "[ . 1 . 2]"
2 41 GLN 0.134 0.027 4 0 "[ . 1 . 2]"
2 42 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 LEU 0.005 0.005 8 0 "[ . 1 . 2]"
2 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 GLN 1.603 0.141 15 0 "[ . 1 . 2]"
2 50 LEU 0.003 0.003 10 0 "[ . 1 . 2]"
2 51 GLU 0.035 0.006 5 0 "[ . 1 . 2]"
2 52 ASP 0.073 0.009 5 0 "[ . 1 . 2]"
2 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ARG 0.178 0.010 15 0 "[ . 1 . 2]"
2 55 THR 0.039 0.010 15 0 "[ . 1 . 2]"
2 56 LEU 0.063 0.014 8 0 "[ . 1 . 2]"
2 57 SER 0.190 0.036 2 0 "[ . 1 . 2]"
2 58 ASP 0.001 0.001 12 0 "[ . 1 . 2]"
2 59 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 GLN 0.026 0.016 18 0 "[ . 1 . 2]"
2 63 LYS 0.026 0.016 18 0 "[ . 1 . 2]"
2 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 66 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 68 HIS 0.021 0.014 18 0 "[ . 1 . 2]"
2 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 VAL 0.014 0.012 7 0 "[ . 1 . 2]"
2 71 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 72 ARG 0.028 0.013 7 0 "[ . 1 . 2]"
2 73 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 GLY 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 2 1 MET ME 2 1 MET HG2 3.600 . 3.600 2.592 2.199 3.011 . 0 0 "[ . 1 . 2]" 1
2 2 1 MET HB3 2 1 MET ME 4.300 . 4.300 3.589 3.582 3.603 . 0 0 "[ . 1 . 2]" 1
3 2 1 MET ME 2 1 MET HG3 3.400 . 3.400 2.488 1.999 2.854 . 0 0 "[ . 1 . 2]" 1
4 2 1 MET HB3 2 1 MET HG3 3.000 . 3.000 2.867 2.583 3.008 0.008 7 0 "[ . 1 . 2]" 1
5 2 1 MET HA 2 2 GLN H 3.100 . 3.100 2.251 2.154 2.496 . 0 0 "[ . 1 . 2]" 1
6 2 1 MET HG2 2 2 GLN H 6.000 . 6.000 4.163 3.885 4.607 . 0 0 "[ . 1 . 2]" 1
7 2 1 MET HB2 2 2 GLN H 3.700 . 3.700 3.219 2.285 3.708 0.008 4 0 "[ . 1 . 2]" 1
8 2 1 MET HB2 2 3 ILE MG 4.000 . 4.000 2.581 1.833 3.333 . 0 0 "[ . 1 . 2]" 1
9 2 1 MET ME 2 3 ILE MG 4.300 . 4.300 2.375 1.853 2.663 . 0 0 "[ . 1 . 2]" 1
10 2 1 MET HG2 2 17 VAL H 6.000 . 6.000 3.346 2.517 3.784 . 0 0 "[ . 1 . 2]" 1
11 2 1 MET HG2 2 17 VAL MG2 6.000 . 6.000 3.145 2.418 3.599 . 0 0 "[ . 1 . 2]" 1
12 2 1 MET HB2 2 17 VAL MG2 6.000 . 6.000 4.098 3.035 4.726 . 0 0 "[ . 1 . 2]" 1
13 2 1 MET ME 2 61 ILE MG 4.600 . 4.600 2.584 2.031 3.190 . 0 0 "[ . 1 . 2]" 1
14 2 1 MET ME 2 62 GLN HA 4.700 . 4.700 3.327 2.212 3.915 . 0 0 "[ . 1 . 2]" 1
15 2 1 MET ME 2 63 LYS HA 5.000 . 5.000 3.775 3.248 4.167 . 0 0 "[ . 1 . 2]" 1
16 2 2 GLN H 2 2 GLN HB2 3.400 . 3.400 2.241 1.980 2.597 . 0 0 "[ . 1 . 2]" 1
17 2 2 GLN HB2 2 2 GLN HG3 3.000 . 3.000 2.545 2.214 2.970 . 0 0 "[ . 1 . 2]" 1
18 2 2 GLN HA 2 3 ILE H 2.700 . 2.700 2.228 2.142 2.335 . 0 0 "[ . 1 . 2]" 1
19 2 2 GLN HB2 2 3 ILE H 5.000 . 5.000 3.967 3.531 4.392 . 0 0 "[ . 1 . 2]" 1
20 2 2 GLN HB3 2 3 ILE H 4.600 . 4.600 4.146 3.811 4.542 . 0 0 "[ . 1 . 2]" 1
21 2 2 GLN HB3 2 14 THR MG 4.100 . 4.100 2.591 1.851 3.419 . 0 0 "[ . 1 . 2]" 1
22 2 2 GLN HB2 2 14 THR MG 3.500 . 3.500 2.384 1.842 2.915 . 0 0 "[ . 1 . 2]" 1
23 2 2 GLN HA 2 15 LEU H 6.000 . 6.000 4.299 4.085 4.615 . 0 0 "[ . 1 . 2]" 1
24 2 2 GLN HA 2 16 GLU HA 4.000 . 4.000 2.251 1.977 2.782 . 0 0 "[ . 1 . 2]" 1
25 2 2 GLN HA 2 17 VAL H 5.200 . 5.200 3.831 3.369 4.327 . 0 0 "[ . 1 . 2]" 1
26 2 2 GLN H 2 64 GLU H 6.000 . 6.000 3.834 3.282 4.159 . 0 0 "[ . 1 . 2]" 1
27 2 1 MET ME 2 3 ILE HB 6.000 . 6.000 4.784 4.113 5.001 . 0 0 "[ . 1 . 2]" 1
28 2 2 GLN H 2 3 ILE H 6.000 . 6.000 4.125 3.999 4.346 . 0 0 "[ . 1 . 2]" 1
29 2 3 ILE H 2 3 ILE HG13 4.500 . 4.500 2.486 2.352 2.721 . 0 0 "[ . 1 . 2]" 1
30 2 3 ILE H 2 3 ILE HG12 3.600 . 3.600 2.234 2.000 2.451 . 0 0 "[ . 1 . 2]" 1
31 2 3 ILE H 2 3 ILE MD 4.300 . 4.300 2.633 2.505 2.781 . 0 0 "[ . 1 . 2]" 1
32 2 3 ILE HB 2 3 ILE MD 3.300 . 3.300 2.151 2.072 2.305 . 0 0 "[ . 1 . 2]" 1
33 2 3 ILE HA 2 3 ILE MG 3.300 . 3.300 2.243 2.127 2.361 . 0 0 "[ . 1 . 2]" 1
34 2 3 ILE MD 2 3 ILE HG12 2.400 . 2.400 2.056 2.055 2.059 . 0 0 "[ . 1 . 2]" 1
35 2 3 ILE MD 2 3 ILE HG12 2.500 . 2.500 1.863 1.817 1.930 . 0 0 "[ . 1 . 2]" 1
36 2 3 ILE HA 2 4 PHE H 3.100 . 3.100 2.386 2.212 2.560 . 0 0 "[ . 1 . 2]" 1
37 2 3 ILE HB 2 4 PHE H 3.000 . 3.000 2.494 2.075 2.992 . 0 0 "[ . 1 . 2]" 1
38 2 3 ILE MD 2 4 PHE H 4.300 . 4.300 3.382 3.192 3.588 . 0 0 "[ . 1 . 2]" 1
39 2 3 ILE HG13 2 15 LEU H 4.900 . 4.900 3.077 2.908 3.343 . 0 0 "[ . 1 . 2]" 1
40 2 3 ILE MD 2 17 VAL H 5.800 . 5.800 3.767 3.528 3.946 . 0 0 "[ . 1 . 2]" 1
41 2 3 ILE HG12 2 17 VAL MG2 3.100 . 3.100 1.982 1.850 2.581 . 0 0 "[ . 1 . 2]" 1
42 2 3 ILE HG13 2 17 VAL MG2 5.400 . 5.400 3.056 2.807 3.424 . 0 0 "[ . 1 . 2]" 1
43 2 3 ILE MD 2 62 GLN H 6.000 . 6.000 4.351 3.801 4.716 . 0 0 "[ . 1 . 2]" 1
44 2 3 ILE MG 2 63 LYS HA 4.300 . 4.300 2.429 1.961 2.897 . 0 0 "[ . 1 . 2]" 1
45 2 3 ILE HA 2 64 GLU H 4.800 . 4.800 2.141 1.965 2.596 . 0 0 "[ . 1 . 2]" 1
46 2 3 ILE MG 2 64 GLU H 4.500 . 4.500 2.629 2.181 3.283 . 0 0 "[ . 1 . 2]" 1
47 2 3 ILE HA 2 64 GLU HA 4.000 . 4.000 2.188 1.984 2.856 . 0 0 "[ . 1 . 2]" 1
48 2 3 ILE HA 2 65 SER H 4.500 . 4.500 2.409 2.195 2.599 . 0 0 "[ . 1 . 2]" 1
49 2 3 ILE HB 2 65 SER H 6.000 . 6.000 3.128 2.802 3.833 . 0 0 "[ . 1 . 2]" 1
50 2 3 ILE MG 2 65 SER H 3.800 . 3.800 2.245 1.941 2.731 . 0 0 "[ . 1 . 2]" 1
51 2 3 ILE H 2 4 PHE H 6.000 . 6.000 4.562 4.496 4.586 . 0 0 "[ . 1 . 2]" 1
52 2 4 PHE H 2 4 PHE QD 5.400 . 5.400 4.007 3.798 4.139 . 0 0 "[ . 1 . 2]" 1
53 2 4 PHE H 2 4 PHE HB2 4.300 . 4.300 2.380 2.211 2.524 . 0 0 "[ . 1 . 2]" 1
54 2 4 PHE HA 2 4 PHE QD 4.400 . 4.400 2.348 2.247 2.399 . 0 0 "[ . 1 . 2]" 1
55 2 4 PHE HA 2 5 VAL H 3.000 . 3.000 2.142 2.122 2.168 . 0 0 "[ . 1 . 2]" 1
56 2 4 PHE HB3 2 5 VAL H 5.400 . 5.400 3.883 3.720 3.989 . 0 0 "[ . 1 . 2]" 1
57 2 4 PHE HB2 2 5 VAL H 5.300 . 5.300 4.602 4.543 4.636 . 0 0 "[ . 1 . 2]" 1
58 2 4 PHE HB3 2 12 THR MG 4.500 . 4.500 1.839 1.823 1.985 . 0 0 "[ . 1 . 2]" 1
59 2 4 PHE QE 2 13 ILE MD 6.000 . 6.000 3.269 3.233 3.306 . 0 0 "[ . 1 . 2]" 1
60 2 4 PHE QE 2 13 ILE MG 4.500 . 4.500 3.462 3.457 3.475 . 0 0 "[ . 1 . 2]" 1
61 2 4 PHE QD 2 13 ILE MD 6.000 . 6.000 4.459 4.453 4.467 . 0 0 "[ . 1 . 2]" 1
62 2 4 PHE QD 2 14 THR MG 4.700 . 4.700 3.405 3.308 3.491 . 0 0 "[ . 1 . 2]" 1
63 2 4 PHE QE 2 14 THR MG 4.000 . 4.000 2.752 2.563 2.953 . 0 0 "[ . 1 . 2]" 1
64 2 4 PHE HA 2 15 LEU H 5.400 . 5.400 3.113 3.052 3.230 . 0 0 "[ . 1 . 2]" 1
65 2 4 PHE H 2 65 SER H 6.000 . 6.000 3.161 3.018 3.385 . 0 0 "[ . 1 . 2]" 1
66 2 4 PHE HB3 2 66 THR HA 3.800 . 3.800 3.421 3.314 3.541 . 0 0 "[ . 1 . 2]" 1
67 2 4 PHE HB3 2 67 LEU H 6.000 . 6.000 4.526 4.418 4.625 . 0 0 "[ . 1 . 2]" 1
68 2 5 VAL H 2 5 VAL HB 3.300 . 3.300 2.592 2.561 2.636 . 0 0 "[ . 1 . 2]" 1
69 2 5 VAL H 2 5 VAL MG2 3.800 . 3.800 2.125 2.004 2.353 . 0 0 "[ . 1 . 2]" 1
70 2 5 VAL HA 2 5 VAL QG 2.800 . 2.800 2.131 2.104 2.157 . 0 0 "[ . 1 . 2]" 1
71 2 5 VAL H 2 6 LYS H 6.000 . 6.000 4.322 4.253 4.391 . 0 0 "[ . 1 . 2]" 1
72 2 5 VAL HB 2 6 LYS H 6.000 . 6.000 4.329 4.271 4.364 . 0 0 "[ . 1 . 2]" 1
73 2 5 VAL QG 2 6 LYS H 4.100 . 4.100 3.041 2.953 3.105 . 0 0 "[ . 1 . 2]" 1
74 2 5 VAL QG 2 7 THR H 5.600 . 5.600 4.415 4.205 4.664 . 0 0 "[ . 1 . 2]" 1
75 2 6 LYS H 2 6 LYS HB3 3.800 . 3.800 2.725 2.513 2.895 . 0 0 "[ . 1 . 2]" 1
76 2 6 LYS H 2 6 LYS HB2 3.800 . 3.800 2.568 2.383 2.821 . 0 0 "[ . 1 . 2]" 1
77 2 6 LYS HB2 2 6 LYS HG3 2.800 . 2.800 2.452 2.252 2.659 . 0 0 "[ . 1 . 2]" 1
78 2 6 LYS H 2 7 THR H 6.000 . 6.000 4.490 4.415 4.570 . 0 0 "[ . 1 . 2]" 1
79 2 6 LYS HA 2 7 THR H 2.800 . 2.800 2.171 2.146 2.224 . 0 0 "[ . 1 . 2]" 1
80 2 6 LYS HG3 2 7 THR H 5.800 . 5.800 3.402 2.361 4.209 . 0 0 "[ . 1 . 2]" 1
81 2 6 LYS HB3 2 7 THR H 4.900 . 4.900 3.960 3.655 4.246 . 0 0 "[ . 1 . 2]" 1
82 2 6 LYS HB2 2 7 THR H 4.700 . 4.700 2.893 2.210 3.434 . 0 0 "[ . 1 . 2]" 1
83 2 6 LYS QE 2 10 GLY H 6.000 . 6.000 4.527 2.887 5.237 . 0 0 "[ . 1 . 2]" 1
84 2 6 LYS QE 2 10 GLY HA3 6.000 . 6.000 4.019 2.905 5.349 . 0 0 "[ . 1 . 2]" 1
85 2 6 LYS HA 2 12 THR HA 3.300 . 3.300 2.049 1.982 2.126 . 0 0 "[ . 1 . 2]" 1
86 2 6 LYS HA 2 13 ILE H 6.000 . 6.000 3.761 3.715 3.811 . 0 0 "[ . 1 . 2]" 1
87 2 6 LYS HB2 2 68 HIS HA 5.600 . 5.600 4.837 4.353 5.338 . 0 0 "[ . 1 . 2]" 1
88 2 6 LYS H 2 69 LEU H 5.000 . 5.000 4.358 3.962 4.831 . 0 0 "[ . 1 . 2]" 1
89 2 7 THR H 2 7 THR MG 3.400 . 3.400 2.274 1.978 2.485 . 0 0 "[ . 1 . 2]" 1
90 2 7 THR HA 2 7 THR MG 3.500 . 3.500 2.547 2.415 2.639 . 0 0 "[ . 1 . 2]" 1
91 2 7 THR HA 2 8 LEU H 3.600 . 3.600 2.491 2.345 2.824 . 0 0 "[ . 1 . 2]" 1
92 2 7 THR MG 2 8 LEU H 6.000 . 6.000 3.813 3.664 3.974 . 0 0 "[ . 1 . 2]" 1
93 2 7 THR HB 2 8 LEU H 3.300 . 3.300 2.350 2.041 2.623 . 0 0 "[ . 1 . 2]" 1
94 2 7 THR HA 2 9 THR H 6.000 . 6.000 4.586 4.089 5.057 . 0 0 "[ . 1 . 2]" 1
95 2 7 THR H 2 10 GLY H 6.000 . 6.000 3.719 3.556 4.029 . 0 0 "[ . 1 . 2]" 1
96 2 7 THR H 2 11 LYS H 4.300 . 4.300 2.302 2.010 3.337 . 0 0 "[ . 1 . 2]" 1
97 2 7 THR MG 2 11 LYS H 5.400 . 5.400 3.342 3.145 3.714 . 0 0 "[ . 1 . 2]" 1
98 2 7 THR HA 2 69 LEU H 4.100 . 4.100 2.419 1.986 2.896 . 0 0 "[ . 1 . 2]" 1
99 2 7 THR MG 2 69 LEU H 6.000 . 6.000 4.101 3.858 4.530 . 0 0 "[ . 1 . 2]" 1
100 2 7 THR MG 2 69 LEU MD1 3.800 . 3.800 2.513 2.195 2.638 . 0 0 "[ . 1 . 2]" 1
101 2 8 LEU H 2 8 LEU HB3 3.500 . 3.500 2.824 2.380 3.211 . 0 0 "[ . 1 . 2]" 1
102 2 8 LEU H 2 8 LEU HB2 4.000 . 4.000 2.255 2.065 2.624 . 0 0 "[ . 1 . 2]" 1
103 2 8 LEU HA 2 8 LEU MD2 3.400 . 3.400 2.670 1.887 2.844 . 0 0 "[ . 1 . 2]" 1
104 2 8 LEU HA 2 8 LEU MD1 4.600 . 4.600 3.542 2.559 3.835 . 0 0 "[ . 1 . 2]" 1
105 2 8 LEU HB2 2 8 LEU MD1 3.600 . 3.600 2.184 1.948 3.116 . 0 0 "[ . 1 . 2]" 1
106 2 8 LEU HB2 2 8 LEU MD2 3.600 . 3.600 2.943 2.534 3.048 . 0 0 "[ . 1 . 2]" 1
107 2 8 LEU MD1 2 8 LEU MD2 2.500 . 2.500 1.803 1.801 1.811 . 0 0 "[ . 1 . 2]" 1
108 2 8 LEU H 2 9 THR H 4.300 . 4.300 2.817 2.670 3.773 . 0 0 "[ . 1 . 2]" 1
109 2 8 LEU HA 2 9 THR H 5.000 . 5.000 3.493 2.471 3.570 . 0 0 "[ . 1 . 2]" 1
110 2 8 LEU HB3 2 9 THR H 5.400 . 5.400 3.209 2.626 4.277 . 0 0 "[ . 1 . 2]" 1
111 2 8 LEU HB2 2 9 THR H 5.200 . 5.200 2.853 2.252 4.467 . 0 0 "[ . 1 . 2]" 1
112 2 8 LEU HG 2 9 THR H 6.000 . 6.000 4.796 4.457 5.177 . 0 0 "[ . 1 . 2]" 1
113 2 9 THR H 2 9 THR MG 4.100 . 4.100 2.518 1.974 3.439 . 0 0 "[ . 1 . 2]" 1
114 2 9 THR HA 2 9 THR MG 3.400 . 3.400 2.331 2.095 2.836 . 0 0 "[ . 1 . 2]" 1
115 2 9 THR HB 2 10 GLY H 6.000 . 6.000 3.744 3.109 4.163 . 0 0 "[ . 1 . 2]" 1
116 2 9 THR HA 2 10 GLY H 4.200 . 4.200 3.428 2.331 3.496 . 0 0 "[ . 1 . 2]" 1
117 2 9 THR MG 2 10 GLY H 5.800 . 5.800 4.041 2.995 4.391 . 0 0 "[ . 1 . 2]" 1
118 2 9 THR H 2 11 LYS H 5.500 . 5.500 4.438 4.023 4.926 . 0 0 "[ . 1 . 2]" 1
119 2 9 THR H 2 10 GLY H 3.300 . 3.300 2.689 2.435 3.305 0.005 11 0 "[ . 1 . 2]" 1
120 2 9 THR H 2 10 GLY HA3 6.000 . 6.000 5.281 5.118 5.337 . 0 0 "[ . 1 . 2]" 1
121 2 10 GLY HA3 2 11 LYS H 4.900 . 4.900 3.506 2.897 3.571 . 0 0 "[ . 1 . 2]" 1
122 2 7 THR H 2 11 LYS HB3 5.200 . 5.200 3.223 3.009 3.724 . 0 0 "[ . 1 . 2]" 1
123 2 7 THR MG 2 11 LYS HB3 3.800 . 3.800 2.050 1.925 2.177 . 0 0 "[ . 1 . 2]" 1
124 2 7 THR MG 2 11 LYS HB2 4.300 . 4.300 3.535 3.357 3.585 . 0 0 "[ . 1 . 2]" 1
125 2 7 THR MG 2 11 LYS HG2 6.000 . 6.000 3.034 2.697 3.656 . 0 0 "[ . 1 . 2]" 1
126 2 10 GLY H 2 11 LYS H 3.500 . 3.500 2.233 1.981 2.566 . 0 0 "[ . 1 . 2]" 1
127 2 10 GLY H 2 11 LYS HB2 6.000 . 6.000 4.379 4.290 5.032 . 0 0 "[ . 1 . 2]" 1
128 2 11 LYS H 2 11 LYS HB3 3.300 . 3.300 2.657 2.418 2.915 . 0 0 "[ . 1 . 2]" 1
129 2 11 LYS H 2 11 LYS HB2 3.300 . 3.300 3.117 2.511 3.312 0.012 19 0 "[ . 1 . 2]" 1
130 2 11 LYS QE 2 11 LYS HG2 3.900 . 3.900 2.985 2.885 3.060 . 0 0 "[ . 1 . 2]" 1
131 2 11 LYS QD 2 11 LYS HG2 2.300 . 2.300 2.123 2.118 2.136 . 0 0 "[ . 1 . 2]" 1
132 2 11 LYS HA 2 11 LYS HB2 3.100 . 3.100 2.437 2.418 2.475 . 0 0 "[ . 1 . 2]" 1
133 2 11 LYS HA 2 11 LYS HG3 4.500 . 4.500 2.734 2.619 2.885 . 0 0 "[ . 1 . 2]" 1
134 2 11 LYS HA 2 11 LYS HG2 4.300 . 4.300 3.761 3.042 3.818 . 0 0 "[ . 1 . 2]" 1
135 2 11 LYS QD 2 11 LYS HG3 2.800 . 2.800 2.521 2.512 2.523 . 0 0 "[ . 1 . 2]" 1
136 2 11 LYS HB2 2 11 LYS QE 4.800 . 4.800 3.697 3.375 3.895 . 0 0 "[ . 1 . 2]" 1
137 2 11 LYS HB2 2 11 LYS HG2 3.100 . 3.100 2.709 2.560 3.004 . 0 0 "[ . 1 . 2]" 1
138 2 11 LYS HA 2 12 THR H 2.800 . 2.800 2.161 2.137 2.240 . 0 0 "[ . 1 . 2]" 1
139 2 11 LYS HB2 2 12 THR H 5.600 . 5.600 4.393 3.986 4.449 . 0 0 "[ . 1 . 2]" 1
140 2 11 LYS HG2 2 12 THR H 4.800 . 4.800 4.701 3.609 4.818 0.018 3 0 "[ . 1 . 2]" 1
141 2 11 LYS HB3 2 12 THR H 5.000 . 5.000 4.387 3.829 4.464 . 0 0 "[ . 1 . 2]" 1
142 2 11 LYS QD 2 12 THR H 6.000 . 6.000 4.414 3.155 5.239 . 0 0 "[ . 1 . 2]" 1
143 2 11 LYS HG3 2 13 ILE MD 3.600 . 3.600 2.928 2.815 3.006 . 0 0 "[ . 1 . 2]" 1
144 2 11 LYS QD 2 13 ILE MD 4.800 . 4.800 3.521 3.358 3.565 . 0 0 "[ . 1 . 2]" 1
145 2 11 LYS HG3 2 13 ILE HG12 6.000 . 6.000 2.370 2.216 3.270 . 0 0 "[ . 1 . 2]" 1
146 2 11 LYS QE 2 13 ILE MG 5.800 . 5.800 4.307 4.305 4.311 . 0 0 "[ . 1 . 2]" 1
147 2 4 PHE HB2 2 12 THR MG 6.000 . 6.000 3.208 3.167 3.389 . 0 0 "[ . 1 . 2]" 1
148 2 4 PHE QD 2 12 THR MG 3.900 . 3.900 2.492 2.281 2.620 . 0 0 "[ . 1 . 2]" 1
149 2 12 THR H 2 12 THR HB 3.600 . 3.600 2.971 2.869 3.080 . 0 0 "[ . 1 . 2]" 1
150 2 12 THR HA 2 12 THR MG 3.300 . 3.300 2.122 2.085 2.163 . 0 0 "[ . 1 . 2]" 1
151 2 12 THR HA 2 13 ILE H 3.100 . 3.100 2.168 2.158 2.180 . 0 0 "[ . 1 . 2]" 1
152 2 12 THR HB 2 13 ILE H 6.000 . 6.000 4.081 3.963 4.169 . 0 0 "[ . 1 . 2]" 1
153 2 5 VAL H 2 13 ILE H 4.000 . 4.000 3.023 2.857 3.185 . 0 0 "[ . 1 . 2]" 1
154 2 11 LYS QE 2 13 ILE MD 6.000 . 6.000 1.878 1.740 2.654 0.060 11 0 "[ . 1 . 2]" 1
155 2 13 ILE H 2 13 ILE HB 3.800 . 3.800 2.586 2.544 2.661 . 0 0 "[ . 1 . 2]" 1
156 2 13 ILE H 2 13 ILE HG12 4.300 . 4.300 2.879 2.769 2.969 . 0 0 "[ . 1 . 2]" 1
157 2 13 ILE HB 2 13 ILE MD 3.700 . 3.700 3.180 3.178 3.182 . 0 0 "[ . 1 . 2]" 1
158 2 13 ILE MD 2 13 ILE MG 2.900 . 2.900 2.025 2.020 2.030 . 0 0 "[ . 1 . 2]" 1
159 2 13 ILE HA 2 13 ILE MG 3.400 . 3.400 2.308 2.284 2.353 . 0 0 "[ . 1 . 2]" 1
160 2 13 ILE HA 2 13 ILE HG12 4.300 . 4.300 2.995 2.960 3.039 . 0 0 "[ . 1 . 2]" 1
161 2 13 ILE HA 2 13 ILE HG13 4.000 . 4.000 3.671 3.644 3.687 . 0 0 "[ . 1 . 2]" 1
162 2 13 ILE MD 2 13 ILE HG12 2.400 . 2.400 2.054 2.052 2.056 . 0 0 "[ . 1 . 2]" 1
163 2 13 ILE HG12 2 13 ILE MG 3.600 . 3.600 3.144 3.141 3.146 . 0 0 "[ . 1 . 2]" 1
164 2 13 ILE HG13 2 13 ILE MG 3.300 . 3.300 2.214 2.193 2.238 . 0 0 "[ . 1 . 2]" 1
165 2 13 ILE H 2 14 THR H 6.000 . 6.000 4.486 4.457 4.500 . 0 0 "[ . 1 . 2]" 1
166 2 13 ILE HA 2 14 THR H 2.800 . 2.800 2.196 2.187 2.208 . 0 0 "[ . 1 . 2]" 1
167 2 13 ILE HB 2 14 THR H 5.100 . 5.100 4.009 3.961 4.044 . 0 0 "[ . 1 . 2]" 1
168 2 13 ILE HG12 2 14 THR H 6.000 . 6.000 4.922 4.882 4.951 . 0 0 "[ . 1 . 2]" 1
169 2 13 ILE MG 2 14 THR H 3.900 . 3.900 1.996 1.954 2.075 . 0 0 "[ . 1 . 2]" 1
170 2 13 ILE MD 2 14 THR H 6.000 . 6.000 3.145 3.026 3.213 . 0 0 "[ . 1 . 2]" 1
171 2 2 GLN HG2 2 14 THR MG 4.800 . 4.800 3.020 1.846 4.003 . 0 0 "[ . 1 . 2]" 1
172 2 2 GLN HG3 2 14 THR MG 4.900 . 4.900 3.588 2.607 4.088 . 0 0 "[ . 1 . 2]" 1
173 2 3 ILE H 2 14 THR MG 5.000 . 5.000 4.163 4.106 4.178 . 0 0 "[ . 1 . 2]" 1
174 2 4 PHE QD 2 14 THR HA 4.600 . 4.600 3.310 3.267 3.332 . 0 0 "[ . 1 . 2]" 1
175 2 5 VAL H 2 14 THR HA 5.800 . 5.800 3.919 3.733 4.044 . 0 0 "[ . 1 . 2]" 1
176 2 14 THR H 2 14 THR HB 3.500 . 3.500 3.002 2.935 3.181 . 0 0 "[ . 1 . 2]" 1
177 2 14 THR HA 2 14 THR MG 3.400 . 3.400 2.183 2.059 2.259 . 0 0 "[ . 1 . 2]" 1
178 2 14 THR HA 2 15 LEU H 3.000 . 3.000 2.137 2.124 2.143 . 0 0 "[ . 1 . 2]" 1
179 2 14 THR HB 2 15 LEU H 6.000 . 6.000 4.036 3.835 4.085 . 0 0 "[ . 1 . 2]" 1
180 2 14 THR MG 2 15 LEU H 3.800 . 3.800 3.154 3.128 3.178 . 0 0 "[ . 1 . 2]" 1
181 2 3 ILE H 2 15 LEU H 3.600 . 3.600 3.530 3.250 3.605 0.005 11 0 "[ . 1 . 2]" 1
182 2 3 ILE H 2 15 LEU HB3 4.800 . 4.800 4.423 4.271 4.511 . 0 0 "[ . 1 . 2]" 1
183 2 3 ILE MD 2 15 LEU HB3 4.600 . 4.600 3.200 2.835 3.632 . 0 0 "[ . 1 . 2]" 1
184 2 3 ILE HG13 2 15 LEU HB3 3.500 . 3.500 2.846 2.583 2.997 . 0 0 "[ . 1 . 2]" 1
185 2 5 VAL H 2 15 LEU H 6.000 . 6.000 3.669 3.507 3.842 . 0 0 "[ . 1 . 2]" 1
186 2 5 VAL MG2 2 15 LEU HG 4.000 . 4.000 3.346 3.339 3.361 . 0 0 "[ . 1 . 2]" 1
187 2 13 ILE MG 2 15 LEU HB2 3.800 . 3.800 3.210 3.204 3.226 . 0 0 "[ . 1 . 2]" 1
188 2 15 LEU H 2 15 LEU HB3 3.400 . 3.400 2.819 2.542 2.894 . 0 0 "[ . 1 . 2]" 1
189 2 15 LEU H 2 15 LEU HB2 4.300 . 4.300 2.869 2.792 3.299 . 0 0 "[ . 1 . 2]" 1
190 2 15 LEU MD2 2 15 LEU HG 2.600 . 2.600 2.100 2.095 2.126 . 0 0 "[ . 1 . 2]" 1
191 2 15 LEU HA 2 15 LEU MD1 3.100 . 3.100 2.541 1.975 2.592 . 0 0 "[ . 1 . 2]" 1
192 2 15 LEU HB2 2 15 LEU MD2 3.600 . 3.600 2.200 2.145 2.335 . 0 0 "[ . 1 . 2]" 1
193 2 15 LEU HB3 2 16 GLU H 4.800 . 4.800 4.077 3.943 4.456 . 0 0 "[ . 1 . 2]" 1
194 2 15 LEU HB2 2 16 GLU H 4.900 . 4.900 4.381 4.253 4.469 . 0 0 "[ . 1 . 2]" 1
195 2 15 LEU MD1 2 16 GLU H 4.500 . 4.500 2.125 1.929 2.458 . 0 0 "[ . 1 . 2]" 1
196 2 15 LEU HA 2 17 VAL H 6.000 . 6.000 5.948 5.736 6.012 0.012 2 0 "[ . 1 . 2]" 1
197 2 15 LEU MD1 2 29 LYS HB2 3.900 . 3.900 1.946 1.884 2.014 . 0 0 "[ . 1 . 2]" 1
198 2 15 LEU MD1 2 29 LYS HB3 3.600 . 3.600 2.574 2.319 2.803 . 0 0 "[ . 1 . 2]" 1
199 2 15 LEU MD1 2 33 LYS QD 5.600 . 5.600 4.038 3.523 4.156 . 0 0 "[ . 1 . 2]" 1
200 2 3 ILE H 2 16 GLU HA 5.200 . 5.200 2.994 2.693 3.243 . 0 0 "[ . 1 . 2]" 1
201 2 15 LEU H 2 16 GLU H 6.000 . 6.000 4.278 4.125 4.374 . 0 0 "[ . 1 . 2]" 1
202 2 16 GLU H 2 16 GLU HG3 5.600 . 5.600 4.423 4.236 4.656 . 0 0 "[ . 1 . 2]" 1
203 2 16 GLU H 2 16 GLU HB3 3.300 . 3.300 2.813 2.384 3.325 0.025 11 0 "[ . 1 . 2]" 1
204 2 16 GLU H 2 16 GLU HB2 3.300 . 3.300 2.433 2.134 2.760 . 0 0 "[ . 1 . 2]" 1
205 2 16 GLU HB2 2 16 GLU HG3 2.900 . 2.900 2.772 2.281 2.987 0.087 4 0 "[ . 1 . 2]" 1
206 2 16 GLU HB3 2 16 GLU HG3 2.500 . 2.500 2.523 2.372 2.554 0.054 7 0 "[ . 1 . 2]" 1
207 2 16 GLU HB3 2 16 GLU HG2 2.800 . 2.800 2.520 2.310 2.956 0.156 5 0 "[ . 1 . 2]" 1
208 2 16 GLU HA 2 17 VAL H 2.800 . 2.800 2.147 2.132 2.156 . 0 0 "[ . 1 . 2]" 1
209 2 16 GLU HG2 2 17 VAL H 6.000 . 6.000 4.154 2.708 4.792 . 0 0 "[ . 1 . 2]" 1
210 2 16 GLU HG3 2 17 VAL H 4.900 . 4.900 3.553 2.738 4.735 . 0 0 "[ . 1 . 2]" 1
211 2 16 GLU HB3 2 17 VAL H 5.800 . 5.800 3.928 3.462 4.346 . 0 0 "[ . 1 . 2]" 1
212 2 16 GLU HB2 2 17 VAL H 6.000 . 6.000 4.343 4.159 4.525 . 0 0 "[ . 1 . 2]" 1
213 2 1 MET HG3 2 17 VAL MG2 6.000 . 6.000 4.291 3.072 4.999 . 0 0 "[ . 1 . 2]" 1
214 2 3 ILE H 2 17 VAL MG2 5.800 . 5.800 3.465 3.128 3.972 . 0 0 "[ . 1 . 2]" 1
215 2 3 ILE MD 2 17 VAL MG2 2.600 . 2.600 1.809 1.804 1.816 . 0 0 "[ . 1 . 2]" 1
216 2 16 GLU H 2 17 VAL H 6.000 . 6.000 4.498 4.415 4.533 . 0 0 "[ . 1 . 2]" 1
217 2 17 VAL H 2 17 VAL MG1 4.100 . 4.100 3.360 3.181 3.422 . 0 0 "[ . 1 . 2]" 1
218 2 17 VAL H 2 17 VAL MG2 3.400 . 3.400 2.219 2.027 2.348 . 0 0 "[ . 1 . 2]" 1
219 2 17 VAL HA 2 17 VAL MG1 2.900 . 2.900 2.161 2.106 2.310 . 0 0 "[ . 1 . 2]" 1
220 2 17 VAL HA 2 17 VAL HB 3.100 . 3.100 2.538 2.499 2.552 . 0 0 "[ . 1 . 2]" 1
221 2 17 VAL MG1 2 17 VAL MG2 2.800 . 2.800 1.945 1.933 1.963 . 0 0 "[ . 1 . 2]" 1
222 2 17 VAL HA 2 18 GLU H 3.100 . 3.100 2.147 2.140 2.176 . 0 0 "[ . 1 . 2]" 1
223 2 17 VAL MG2 2 18 GLU H 5.000 . 5.000 4.149 4.003 4.171 . 0 0 "[ . 1 . 2]" 1
224 2 17 VAL MG2 2 19 PRO HA 5.790 . 5.790 4.793 4.613 4.832 . 0 0 "[ . 1 . 2]" 1
225 2 17 VAL MG2 2 26 VAL MG2 4.200 . 4.200 2.745 2.213 2.915 . 0 0 "[ . 1 . 2]" 1
226 2 18 GLU H 2 18 GLU HB3 3.800 . 3.800 2.778 1.986 3.352 . 0 0 "[ . 1 . 2]" 1
227 2 18 GLU H 2 18 GLU HB2 3.000 . 3.000 2.398 2.177 2.707 . 0 0 "[ . 1 . 2]" 1
228 2 18 GLU HA 2 19 PRO HB2 6.000 . 6.000 5.290 5.085 5.639 . 0 0 "[ . 1 . 2]" 1
229 2 18 GLU HA 2 19 PRO HA 6.000 . 6.000 4.415 4.398 4.432 . 0 0 "[ . 1 . 2]" 1
230 2 18 GLU HA 2 20 SER H 6.000 . 6.000 4.111 3.929 4.599 . 0 0 "[ . 1 . 2]" 1
231 2 18 GLU HG3 2 20 SER H 6.000 . 6.000 5.360 4.583 6.000 . 13 0 "[ . 1 . 2]" 1
232 2 18 GLU HB3 2 20 SER H 3.500 . 3.500 2.718 2.387 3.221 . 0 0 "[ . 1 . 2]" 1
233 2 18 GLU HB2 2 20 SER H 4.100 . 4.100 3.722 3.180 4.101 0.001 18 0 "[ . 1 . 2]" 1
234 2 18 GLU H 2 21 ASP H 5.600 . 5.600 4.850 3.974 5.601 0.001 19 0 "[ . 1 . 2]" 1
235 2 18 GLU HB3 2 21 ASP H 5.200 . 5.200 3.864 2.756 4.965 . 0 0 "[ . 1 . 2]" 1
236 2 18 GLU HB2 2 21 ASP H 4.300 . 4.300 3.592 2.614 4.302 0.002 14 0 "[ . 1 . 2]" 1
237 2 19 PRO HA 2 20 SER H 4.600 . 4.600 3.523 3.500 3.572 . 0 0 "[ . 1 . 2]" 1
238 2 19 PRO HB2 2 20 SER H 4.200 . 4.200 2.930 2.393 3.394 . 0 0 "[ . 1 . 2]" 1
239 2 19 PRO HA 2 21 ASP H 5.000 . 5.000 3.958 3.647 4.348 . 0 0 "[ . 1 . 2]" 1
240 2 19 PRO HB3 2 56 LEU HB2 5.700 . 5.700 3.567 2.913 4.044 . 0 0 "[ . 1 . 2]" 1
241 2 19 PRO HA 2 56 LEU HA 5.100 . 5.100 4.914 4.665 5.102 0.002 4 0 "[ . 1 . 2]" 1
242 2 19 PRO HA 2 56 LEU HB2 3.200 . 3.200 1.993 1.925 2.236 . 0 0 "[ . 1 . 2]" 1
243 2 19 PRO HA 2 56 LEU QD 4.000 . 4.000 2.948 2.650 2.979 . 0 0 "[ . 1 . 2]" 1
244 2 19 PRO HA 2 56 LEU HB3 . . 3.800 3.335 2.745 3.638 . 0 0 "[ . 1 . 2]" 1
245 2 19 PRO HA 2 56 LEU HG . . 5.500 3.404 2.244 5.122 . 0 0 "[ . 1 . 2]" 1
246 2 19 PRO HB3 2 57 SER HA 5.200 . 5.200 3.972 3.389 4.395 . 0 0 "[ . 1 . 2]" 1
247 2 19 PRO HB3 2 57 SER QB 3.600 . 3.600 3.179 3.005 3.217 . 0 0 "[ . 1 . 2]" 1
248 2 19 PRO HB2 2 57 SER QB . . 4.000 3.085 1.976 3.567 . 0 0 "[ . 1 . 2]" 1
249 2 19 PRO HA 2 57 SER QB . . 5.000 4.173 3.706 4.466 . 0 0 "[ . 1 . 2]" 1
250 2 19 PRO HB2 2 57 SER HA 6.200 . 6.200 4.765 3.619 5.386 . 0 0 "[ . 1 . 2]" 1
251 2 19 PRO HA 2 57 SER H 4.400 . 4.400 3.465 2.955 3.708 . 0 0 "[ . 1 . 2]" 1
252 2 19 PRO HA 2 61 ILE HB 6.000 . 6.000 4.899 4.237 5.432 . 0 0 "[ . 1 . 2]" 1
253 2 20 SER H 2 20 SER HB3 3.700 . 3.700 3.299 2.608 3.697 . 0 0 "[ . 1 . 2]" 1
254 2 20 SER HA 2 21 ASP H 4.700 . 4.700 3.099 2.706 3.514 . 0 0 "[ . 1 . 2]" 1
255 2 20 SER HB2 2 21 ASP H 6.000 . 6.000 3.948 2.881 4.626 . 0 0 "[ . 1 . 2]" 1
256 2 20 SER HB3 2 21 ASP H 6.000 . 6.000 4.214 2.906 4.672 . 0 0 "[ . 1 . 2]" 1
257 2 20 SER HA 2 56 LEU H 5.100 . 5.100 4.233 3.790 4.757 . 0 0 "[ . 1 . 2]" 1
258 2 20 SER HA 2 57 SER H 4.700 . 4.700 4.292 3.336 4.705 0.005 13 0 "[ . 1 . 2]" 1
259 2 17 VAL HB 2 21 ASP HB2 5.800 . 5.800 3.569 3.161 4.138 . 0 0 "[ . 1 . 2]" 1
260 2 18 GLU H 2 21 ASP HB3 5.800 . 5.800 4.186 3.597 4.600 . 0 0 "[ . 1 . 2]" 1
261 2 20 SER H 2 21 ASP H 3.400 . 3.400 2.799 2.281 3.250 . 0 0 "[ . 1 . 2]" 1
262 2 20 SER H 2 21 ASP HB2 6.000 . 6.000 4.330 3.967 4.717 . 0 0 "[ . 1 . 2]" 1
263 2 21 ASP H 2 21 ASP HB2 3.100 . 3.100 2.409 2.102 2.613 . 0 0 "[ . 1 . 2]" 1
264 2 21 ASP H 2 21 ASP HB3 4.300 . 4.300 3.443 2.810 3.735 . 0 0 "[ . 1 . 2]" 1
265 2 21 ASP HA 2 22 THR H 2.900 . 2.900 2.180 2.140 2.262 . 0 0 "[ . 1 . 2]" 1
266 2 21 ASP HB2 2 22 THR H 5.400 . 5.400 4.327 4.039 4.565 . 0 0 "[ . 1 . 2]" 1
267 2 21 ASP HB3 2 22 THR H 4.200 . 4.200 3.391 2.835 4.148 . 0 0 "[ . 1 . 2]" 1
268 2 21 ASP HB3 2 26 VAL H 5.300 . 5.300 4.525 4.120 4.807 . 0 0 "[ . 1 . 2]" 1
269 2 21 ASP HB3 2 26 VAL MG2 4.300 . 4.300 3.249 2.710 3.584 . 0 0 "[ . 1 . 2]" 1
270 2 21 ASP HB2 2 26 VAL MG2 5.000 . 5.000 4.003 3.659 4.171 . 0 0 "[ . 1 . 2]" 1
271 2 21 ASP HB3 2 56 LEU MD2 5.800 . 5.800 4.651 4.295 4.834 . 0 0 "[ . 1 . 2]" 1
272 2 22 THR H 2 22 THR MG 3.500 . 3.500 2.450 2.033 2.883 . 0 0 "[ . 1 . 2]" 1
273 2 22 THR HA 2 22 THR MG 3.300 . 3.300 2.305 2.059 2.508 . 0 0 "[ . 1 . 2]" 1
274 2 22 THR HA 2 23 ILE H 3.300 . 3.300 2.482 2.343 2.647 . 0 0 "[ . 1 . 2]" 1
275 2 22 THR HB 2 23 ILE H 3.300 . 3.300 2.310 2.044 2.676 . 0 0 "[ . 1 . 2]" 1
276 2 22 THR MG 2 24 GLU H 6.000 . 6.000 4.226 4.034 4.359 . 0 0 "[ . 1 . 2]" 1
277 2 22 THR MG 2 25 ASN H 6.000 . 6.000 4.625 4.407 4.794 . 0 0 "[ . 1 . 2]" 1
278 2 22 THR MG 2 55 THR HA 4.600 . 4.600 3.660 3.003 3.833 . 0 0 "[ . 1 . 2]" 1
279 2 22 THR HA 2 56 LEU H 5.100 . 5.100 4.513 3.403 4.969 . 0 0 "[ . 1 . 2]" 1
280 2 23 ILE H 2 23 ILE HB 3.300 . 3.300 2.624 2.573 2.649 . 0 0 "[ . 1 . 2]" 1
281 2 23 ILE H 2 23 ILE HG12 3.000 . 3.000 1.996 1.974 2.042 . 0 0 "[ . 1 . 2]" 1
282 2 23 ILE H 2 23 ILE MD 5.100 . 5.100 2.938 2.846 3.166 . 0 0 "[ . 1 . 2]" 1
283 2 23 ILE HG13 2 23 ILE MG 3.300 . 3.300 2.358 2.333 2.398 . 0 0 "[ . 1 . 2]" 1
284 2 23 ILE HA 2 23 ILE MD 3.100 . 3.100 2.029 1.957 2.156 . 0 0 "[ . 1 . 2]" 1
285 2 23 ILE HA 2 23 ILE MG 3.300 . 3.300 2.370 2.317 2.404 . 0 0 "[ . 1 . 2]" 1
286 2 23 ILE MD 2 23 ILE MG 2.800 . 2.800 1.921 1.811 1.946 . 0 0 "[ . 1 . 2]" 1
287 2 23 ILE HB 2 24 GLU H 4.500 . 4.500 2.776 2.620 2.898 . 0 0 "[ . 1 . 2]" 1
288 2 23 ILE MG 2 24 GLU H 6.000 . 6.000 3.694 3.523 3.805 . 0 0 "[ . 1 . 2]" 1
289 2 23 ILE H 2 25 ASN H 6.000 . 6.000 4.356 4.294 4.446 . 0 0 "[ . 1 . 2]" 1
290 2 23 ILE HA 2 25 ASN H 6.000 . 6.000 4.263 4.213 4.351 . 0 0 "[ . 1 . 2]" 1
291 2 23 ILE MG 2 25 ASN H 6.000 . 6.000 5.003 4.999 5.011 . 0 0 "[ . 1 . 2]" 1
292 2 23 ILE HA 2 26 VAL H 4.200 . 4.200 3.299 3.211 3.362 . 0 0 "[ . 1 . 2]" 1
293 2 23 ILE HA 2 27 LYS H 6.000 . 6.000 3.920 3.766 4.045 . 0 0 "[ . 1 . 2]" 1
294 2 23 ILE MG 2 27 LYS H 4.500 . 4.500 3.139 2.881 3.344 . 0 0 "[ . 1 . 2]" 1
295 2 23 ILE HG13 2 50 LEU HB2 5.000 . 5.000 4.193 3.899 4.759 . 0 0 "[ . 1 . 2]" 1
296 2 23 ILE MD 2 50 LEU HB2 5.000 . 5.000 3.573 3.291 4.062 . 0 0 "[ . 1 . 2]" 1
297 2 23 ILE HG13 2 50 LEU MD2 5.600 . 5.600 3.858 3.569 4.529 . 0 0 "[ . 1 . 2]" 1
298 2 23 ILE HG13 2 51 GLU H 6.000 . 6.000 3.514 3.196 3.837 . 0 0 "[ . 1 . 2]" 1
299 2 23 ILE MG 2 51 GLU H 6.000 . 6.000 4.646 4.166 4.996 . 0 0 "[ . 1 . 2]" 1
300 2 23 ILE MG 2 52 ASP H 5.600 . 5.600 4.314 3.833 4.671 . 0 0 "[ . 1 . 2]" 1
301 2 23 ILE H 2 54 ARG H 5.000 . 5.000 2.261 1.984 2.880 . 0 0 "[ . 1 . 2]" 1
302 2 23 ILE HB 2 54 ARG H 4.700 . 4.700 3.293 2.839 3.536 . 0 0 "[ . 1 . 2]" 1
303 2 23 ILE HG12 2 54 ARG H 3.800 . 3.800 2.191 1.971 2.896 . 0 0 "[ . 1 . 2]" 1
304 2 23 ILE MG 2 54 ARG H 6.000 . 6.000 4.574 4.201 4.846 . 0 0 "[ . 1 . 2]" 1
305 2 23 ILE MD 2 54 ARG H 6.000 . 6.000 3.804 3.574 4.456 . 0 0 "[ . 1 . 2]" 1
306 2 23 ILE MD 2 59 TYR QD 4.800 . 4.800 2.787 2.053 3.562 . 0 0 "[ . 1 . 2]" 1
307 2 23 ILE H 2 24 GLU H 4.100 . 4.100 2.660 2.576 2.767 . 0 0 "[ . 1 . 2]" 1
308 2 24 GLU H 2 25 ASN H 4.000 . 4.000 2.746 2.722 2.812 . 0 0 "[ . 1 . 2]" 1
309 2 24 GLU HA 2 25 ASN H 5.200 . 5.200 3.540 3.538 3.545 . 0 0 "[ . 1 . 2]" 1
310 2 24 GLU QB 2 25 ASN H 3.500 . 3.500 2.615 2.542 2.704 . 0 0 "[ . 1 . 2]" 1
311 2 24 GLU HA 2 26 VAL H 6.000 . 6.000 4.126 4.082 4.195 . 0 0 "[ . 1 . 2]" 1
312 2 24 GLU HA 2 27 LYS H 4.500 . 4.500 3.579 3.547 3.723 . 0 0 "[ . 1 . 2]" 1
313 2 24 GLU HA 2 28 ALA MB 5.500 . 5.500 4.225 4.179 4.317 . 0 0 "[ . 1 . 2]" 1
314 2 24 GLU H 2 52 ASP H 6.000 . 6.000 5.999 5.911 6.009 0.009 5 0 "[ . 1 . 2]" 1
315 2 24 GLU H 2 54 ARG H 4.100 . 4.100 4.089 3.899 4.107 0.007 11 0 "[ . 1 . 2]" 1
316 2 22 THR H 2 25 ASN HD21 6.000 . 6.000 5.272 3.515 6.001 0.001 15 0 "[ . 1 . 2]" 1
317 2 22 THR H 2 25 ASN HB3 3.800 . 3.800 3.729 3.484 3.806 0.006 5 0 "[ . 1 . 2]" 1
318 2 22 THR H 2 25 ASN HB2 4.200 . 4.200 3.510 2.858 3.932 . 0 0 "[ . 1 . 2]" 1
319 2 25 ASN H 2 25 ASN HD22 6.000 . 6.000 5.710 5.588 5.827 . 0 0 "[ . 1 . 2]" 1
320 2 25 ASN H 2 25 ASN HB3 3.500 . 3.500 2.689 2.520 2.977 . 0 0 "[ . 1 . 2]" 1
321 2 25 ASN H 2 25 ASN HB2 3.800 . 3.800 2.404 2.178 2.553 . 0 0 "[ . 1 . 2]" 1
322 2 25 ASN HA 2 26 VAL H 5.000 . 5.000 3.478 3.473 3.490 . 0 0 "[ . 1 . 2]" 1
323 2 25 ASN HB3 2 26 VAL H 3.800 . 3.800 2.847 2.763 2.941 . 0 0 "[ . 1 . 2]" 1
324 2 25 ASN HB2 2 26 VAL H 5.200 . 5.200 3.863 3.620 4.006 . 0 0 "[ . 1 . 2]" 1
325 2 25 ASN HB2 2 26 VAL MG2 6.000 . 6.000 4.254 3.983 4.411 . 0 0 "[ . 1 . 2]" 1
326 2 25 ASN HA 2 28 ALA MB 2.800 . 2.800 1.972 1.903 2.016 . 0 0 "[ . 1 . 2]" 1
327 2 25 ASN HA 2 28 ALA H 3.800 . 3.800 3.549 3.486 3.590 . 0 0 "[ . 1 . 2]" 1
328 2 25 ASN HA 2 29 LYS H 6.000 . 6.000 4.141 4.097 4.212 . 0 0 "[ . 1 . 2]" 1
329 2 23 ILE HA 2 26 VAL MG2 3.800 . 3.800 1.914 1.893 1.941 . 0 0 "[ . 1 . 2]" 1
330 2 23 ILE HA 2 26 VAL HB 3.300 . 3.300 3.043 2.861 3.195 . 0 0 "[ . 1 . 2]" 1
331 2 23 ILE MD 2 26 VAL HB 5.200 . 5.200 3.991 3.782 4.142 . 0 0 "[ . 1 . 2]" 1
332 2 23 ILE MG 2 26 VAL HB 5.000 . 5.000 3.120 2.712 3.461 . 0 0 "[ . 1 . 2]" 1
333 2 25 ASN H 2 26 VAL H 2.900 . 2.900 2.560 2.528 2.582 . 0 0 "[ . 1 . 2]" 1
334 2 25 ASN H 2 26 VAL MG2 6.000 . 6.000 3.621 3.598 3.661 . 0 0 "[ . 1 . 2]" 1
335 2 26 VAL H 2 26 VAL HB 3.100 . 3.100 2.740 2.706 2.772 . 0 0 "[ . 1 . 2]" 1
336 2 26 VAL H 2 26 VAL MG2 3.100 . 3.100 1.907 1.886 1.929 . 0 0 "[ . 1 . 2]" 1
337 2 26 VAL HA 2 26 VAL MG1 3.100 . 3.100 2.174 2.096 2.218 . 0 0 "[ . 1 . 2]" 1
338 2 26 VAL HA 2 26 VAL MG2 3.300 . 3.300 2.542 2.521 2.555 . 0 0 "[ . 1 . 2]" 1
339 2 26 VAL MG1 2 26 VAL MG2 2.700 . 2.700 1.882 1.880 1.889 . 0 0 "[ . 1 . 2]" 1
340 2 26 VAL HA 2 27 LYS H 5.400 . 5.400 3.575 3.571 3.580 . 0 0 "[ . 1 . 2]" 1
341 2 26 VAL HB 2 27 LYS H 3.100 . 3.100 2.223 2.169 2.272 . 0 0 "[ . 1 . 2]" 1
342 2 26 VAL MG2 2 27 LYS H 6.000 . 6.000 3.405 3.367 3.438 . 0 0 "[ . 1 . 2]" 1
343 2 26 VAL MG1 2 27 LYS H 4.600 . 4.600 3.565 3.485 3.620 . 0 0 "[ . 1 . 2]" 1
344 2 26 VAL MG2 2 28 ALA MB 6.600 . 6.600 4.693 4.690 4.697 . 0 0 "[ . 1 . 2]" 1
345 2 26 VAL HA 2 29 LYS H 4.700 . 4.700 3.352 3.297 3.453 . 0 0 "[ . 1 . 2]" 1
346 2 26 VAL HA 2 29 LYS HD2 4.500 . 4.500 3.818 1.974 4.377 . 0 0 "[ . 1 . 2]" 1
347 2 26 VAL MG2 2 29 LYS QE 5.600 . 5.600 4.106 3.797 4.159 . 0 0 "[ . 1 . 2]" 1
348 2 26 VAL HA 2 30 ILE H 6.000 . 6.000 3.987 3.878 4.211 . 0 0 "[ . 1 . 2]" 1
349 2 26 VAL MG2 2 56 LEU MD1 3.600 . 3.600 2.417 2.136 2.501 . 0 0 "[ . 1 . 2]" 1
350 2 23 ILE MG 2 27 LYS QE 3.400 . 3.400 2.255 1.865 2.529 . 0 0 "[ . 1 . 2]" 1
351 2 23 ILE MG 2 27 LYS QG 3.800 . 3.800 1.938 1.883 2.049 . 0 0 "[ . 1 . 2]" 1
352 2 23 ILE MG 2 27 LYS QD 4.600 . 4.600 3.384 2.723 3.428 . 0 0 "[ . 1 . 2]" 1
353 2 24 GLU HA 2 27 LYS HB3 5.400 . 5.400 4.529 4.394 4.750 . 0 0 "[ . 1 . 2]" 1
354 2 24 GLU HA 2 27 LYS QD 6.000 . 6.000 5.366 5.348 5.373 . 0 0 "[ . 1 . 2]" 1
355 2 25 ASN H 2 27 LYS H 6.000 . 6.000 4.438 4.345 4.527 . 0 0 "[ . 1 . 2]" 1
356 2 26 VAL H 2 27 LYS H 3.400 . 3.400 2.634 2.599 2.696 . 0 0 "[ . 1 . 2]" 1
357 2 26 VAL H 2 27 LYS QG 6.000 . 6.000 4.291 4.126 4.511 . 0 0 "[ . 1 . 2]" 1
358 2 27 LYS H 2 27 LYS HB3 4.400 . 4.400 3.598 3.595 3.600 . 0 0 "[ . 1 . 2]" 1
359 2 27 LYS H 2 27 LYS QD 4.100 . 4.100 3.214 2.774 3.519 . 0 0 "[ . 1 . 2]" 1
360 2 27 LYS H 2 27 LYS QG 3.300 . 3.300 2.157 1.993 2.386 . 0 0 "[ . 1 . 2]" 1
361 2 27 LYS H 2 27 LYS HB2 3.300 . 3.300 2.563 2.460 2.664 . 0 0 "[ . 1 . 2]" 1
362 2 27 LYS HA 2 27 LYS QD 4.800 . 4.800 1.894 1.850 1.947 . 0 0 "[ . 1 . 2]" 1
363 2 27 LYS HB3 2 28 ALA H 5.000 . 5.000 3.978 3.887 4.094 . 0 0 "[ . 1 . 2]" 1
364 2 27 LYS H 2 28 ALA MB 5.400 . 5.400 4.023 3.985 4.046 . 0 0 "[ . 1 . 2]" 1
365 2 27 LYS HA 2 28 ALA H 5.000 . 5.000 3.418 3.405 3.425 . 0 0 "[ . 1 . 2]" 1
366 2 27 LYS HA 2 29 LYS H 6.000 . 6.000 4.733 4.651 4.836 . 0 0 "[ . 1 . 2]" 1
367 2 27 LYS HA 2 30 ILE H 4.800 . 4.800 3.417 3.308 3.532 . 0 0 "[ . 1 . 2]" 1
368 2 27 LYS QD 2 30 ILE HB 3.600 . 3.600 3.240 3.230 3.259 . 0 0 "[ . 1 . 2]" 1
369 2 27 LYS HA 2 31 GLN H 6.000 . 6.000 3.882 3.691 3.995 . 0 0 "[ . 1 . 2]" 1
370 2 27 LYS HB2 2 38 PRO HA 4.800 . 4.800 3.130 2.814 3.593 . 0 0 "[ . 1 . 2]" 1
371 2 27 LYS QD 2 38 PRO HA 4.300 . 4.300 3.588 3.177 3.836 . 0 0 "[ . 1 . 2]" 1
372 2 27 LYS HA 2 41 GLN HE22 5.200 . 5.200 3.780 3.019 4.686 . 0 0 "[ . 1 . 2]" 1
373 2 27 LYS QE 2 43 LEU H 5.200 . 5.200 3.773 2.385 4.636 . 0 0 "[ . 1 . 2]" 1
374 2 27 LYS QE 2 43 LEU MD2 4.100 . 4.100 2.040 1.795 2.430 0.005 8 0 "[ . 1 . 2]" 1
375 2 27 LYS QE 2 43 LEU HA 6.000 . 6.000 3.892 3.368 4.442 . 0 0 "[ . 1 . 2]" 1
376 2 27 LYS QE 2 43 LEU MD1 4.900 . 4.900 2.281 1.875 3.647 . 0 0 "[ . 1 . 2]" 1
377 2 28 ALA H 2 28 ALA MB 2.600 . 2.600 1.999 1.970 2.015 . 0 0 "[ . 1 . 2]" 1
378 2 28 ALA MB 2 29 LYS H 3.200 . 3.200 2.324 2.286 2.366 . 0 0 "[ . 1 . 2]" 1
379 2 28 ALA HA 2 29 LYS H 4.800 . 4.800 3.567 3.565 3.570 . 0 0 "[ . 1 . 2]" 1
380 2 28 ALA MB 2 29 LYS QE 6.200 . 6.200 4.272 3.494 4.603 . 0 0 "[ . 1 . 2]" 1
381 2 28 ALA HA 2 31 GLN H 4.200 . 4.200 3.538 3.474 3.594 . 0 0 "[ . 1 . 2]" 1
382 2 28 ALA HA 2 31 GLN HA 5.400 . 5.400 5.407 5.389 5.421 0.021 6 0 "[ . 1 . 2]" 1
383 2 28 ALA HA 2 31 GLN HB3 . . 3.400 2.741 2.714 2.783 . 0 0 "[ . 1 . 2]" 1
384 2 28 ALA HA 2 31 GLN HB2 3.800 . 3.800 3.453 3.408 3.502 . 0 0 "[ . 1 . 2]" 1
385 2 28 ALA MB 2 31 GLN HB3 . . 5.000 4.180 4.178 4.187 . 0 0 "[ . 1 . 2]" 1
386 2 28 ALA HA 2 31 GLN QG . . 5.300 4.459 4.228 4.644 . 0 0 "[ . 1 . 2]" 1
387 2 28 ALA HA 2 32 ASP H 5.400 . 5.400 4.410 4.264 4.448 . 0 0 "[ . 1 . 2]" 1
388 2 28 ALA HA 2 38 PRO QD 5.000 . 5.000 4.071 3.507 4.389 . 0 0 "[ . 1 . 2]" 1
389 2 28 ALA HA 2 38 PRO QG 4.000 . 4.000 3.271 3.054 3.567 . 0 0 "[ . 1 . 2]" 1
390 2 15 LEU MD2 2 29 LYS HB2 4.500 . 4.500 3.026 2.593 3.219 . 0 0 "[ . 1 . 2]" 1
391 2 15 LEU MD2 2 29 LYS HB3 4.500 . 4.500 2.711 2.214 3.615 . 0 0 "[ . 1 . 2]" 1
392 2 15 LEU MD1 2 29 LYS HE2 5.000 . 5.000 3.815 3.503 4.172 . 0 0 "[ . 1 . 2]" 1
393 2 26 VAL HA 2 29 LYS HD3 4.300 . 4.300 3.354 2.424 3.642 . 0 0 "[ . 1 . 2]" 1
394 2 26 VAL HA 2 29 LYS HB2 6.000 . 6.000 3.250 3.132 3.465 . 0 0 "[ . 1 . 2]" 1
395 2 26 VAL HA 2 29 LYS HG2 5.200 . 5.200 5.151 4.865 5.204 0.004 12 0 "[ . 1 . 2]" 1
396 2 26 VAL HA 2 29 LYS HB3 5.600 . 5.600 4.946 4.844 5.075 . 0 0 "[ . 1 . 2]" 1
397 2 29 LYS H 2 29 LYS HG3 3.100 . 3.100 2.341 1.972 3.105 0.005 8 0 "[ . 1 . 2]" 1
398 2 29 LYS H 2 29 LYS HG2 4.800 . 4.800 3.452 3.172 4.054 . 0 0 "[ . 1 . 2]" 1
399 2 29 LYS HB2 2 29 LYS HD3 2.600 . 2.600 2.308 1.949 2.441 . 0 0 "[ . 1 . 2]" 1
400 2 29 LYS HA 2 29 LYS HG2 3.400 . 3.400 2.703 2.445 3.399 . 0 0 "[ . 1 . 2]" 1
401 2 29 LYS HA 2 29 LYS HG3 3.600 . 3.600 2.979 2.250 3.279 . 0 0 "[ . 1 . 2]" 1
402 2 29 LYS HD2 2 29 LYS HG3 2.800 . 2.800 2.622 2.226 2.740 . 0 0 "[ . 1 . 2]" 1
403 2 29 LYS HD2 2 29 LYS HG2 3.000 . 3.000 2.936 2.873 3.013 0.013 6 0 "[ . 1 . 2]" 1
404 2 29 LYS HB2 2 29 LYS HD2 4.300 . 4.300 2.522 2.200 3.254 . 0 0 "[ . 1 . 2]" 1
405 2 29 LYS HA 2 30 ILE H 4.800 . 4.800 3.537 3.523 3.544 . 0 0 "[ . 1 . 2]" 1
406 2 29 LYS HB2 2 30 ILE H 3.600 . 3.600 2.579 2.510 2.676 . 0 0 "[ . 1 . 2]" 1
407 2 29 LYS HA 2 32 ASP HB2 4.700 . 4.700 3.617 3.431 3.981 . 0 0 "[ . 1 . 2]" 1
408 2 29 LYS HA 2 33 LYS H 5.400 . 5.400 4.260 3.957 4.325 . 0 0 "[ . 1 . 2]" 1
409 2 5 VAL MG2 2 30 ILE MD 2.600 . 2.600 1.811 1.806 1.820 . 0 0 "[ . 1 . 2]" 1
410 2 15 LEU MD2 2 30 ILE HG13 3.800 . 3.800 3.080 1.848 3.169 . 0 0 "[ . 1 . 2]" 1
411 2 15 LEU MD1 2 30 ILE HA 5.200 . 5.200 4.338 4.331 4.349 . 0 0 "[ . 1 . 2]" 1
412 2 15 LEU MD1 2 30 ILE HG13 4.100 . 4.100 3.148 3.035 3.417 . 0 0 "[ . 1 . 2]" 1
413 2 27 LYS H 2 30 ILE MD 5.400 . 5.400 3.964 3.722 4.206 . 0 0 "[ . 1 . 2]" 1
414 2 27 LYS HA 2 30 ILE MD 3.800 . 3.800 2.559 2.278 2.819 . 0 0 "[ . 1 . 2]" 1
415 2 27 LYS HA 2 30 ILE HB 3.600 . 3.600 2.181 2.076 2.244 . 0 0 "[ . 1 . 2]" 1
416 2 29 LYS H 2 30 ILE H 3.500 . 3.500 2.665 2.612 2.692 . 0 0 "[ . 1 . 2]" 1
417 2 30 ILE H 2 30 ILE HB 3.100 . 3.100 2.531 2.491 2.560 . 0 0 "[ . 1 . 2]" 1
418 2 30 ILE H 2 30 ILE MD 5.200 . 5.200 3.576 3.414 3.664 . 0 0 "[ . 1 . 2]" 1
419 2 30 ILE HA 2 30 ILE MG 3.600 . 3.600 2.370 2.338 2.421 . 0 0 "[ . 1 . 2]" 1
420 2 30 ILE HB 2 30 ILE MD 3.600 . 3.600 2.385 2.351 2.430 . 0 0 "[ . 1 . 2]" 1
421 2 30 ILE HA 2 30 ILE HG12 2.800 . 2.800 2.174 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
422 2 30 ILE HA 2 30 ILE HG13 4.300 . 4.300 2.997 2.884 3.049 . 0 0 "[ . 1 . 2]" 1
423 2 30 ILE MD 2 30 ILE MG 2.800 . 2.800 1.919 1.843 1.948 . 0 0 "[ . 1 . 2]" 1
424 2 30 ILE HA 2 31 GLN H 5.800 . 5.800 3.474 3.458 3.490 . 0 0 "[ . 1 . 2]" 1
425 2 30 ILE HB 2 31 GLN H 3.600 . 3.600 2.926 2.827 3.013 . 0 0 "[ . 1 . 2]" 1
426 2 30 ILE MD 2 31 GLN H 6.000 . 6.000 4.800 4.703 4.894 . 0 0 "[ . 1 . 2]" 1
427 2 30 ILE HG12 2 31 GLN H 5.000 . 5.000 3.594 3.497 3.637 . 0 0 "[ . 1 . 2]" 1
428 2 30 ILE H 2 32 ASP H 4.800 . 4.800 4.248 4.171 4.535 . 0 0 "[ . 1 . 2]" 1
429 2 30 ILE HA 2 32 ASP H 6.000 . 6.000 4.455 4.341 4.824 . 0 0 "[ . 1 . 2]" 1
430 2 30 ILE HA 2 33 LYS H 4.700 . 4.700 3.367 3.293 3.495 . 0 0 "[ . 1 . 2]" 1
431 2 30 ILE HA 2 34 GLU H 6.000 . 6.000 3.593 3.123 3.780 . 0 0 "[ . 1 . 2]" 1
432 2 30 ILE HG12 2 34 GLU H 5.100 . 5.100 3.662 3.322 3.840 . 0 0 "[ . 1 . 2]" 1
433 2 30 ILE MG 2 34 GLU HB2 3.300 . 3.300 2.647 2.588 2.732 . 0 0 "[ . 1 . 2]" 1
434 2 30 ILE MG 2 34 GLU HG3 4.100 . 4.100 3.061 2.278 3.374 . 0 0 "[ . 1 . 2]" 1
435 2 30 ILE MG 2 36 ILE H 4.800 . 4.800 3.921 3.773 4.000 . 0 0 "[ . 1 . 2]" 1
436 2 30 ILE MG 2 36 ILE HB 3.800 . 3.800 3.165 3.076 3.181 . 0 0 "[ . 1 . 2]" 1
437 2 30 ILE HB 2 41 GLN HE21 6.000 . 6.000 3.564 2.965 3.925 . 0 0 "[ . 1 . 2]" 1
438 2 30 ILE HB 2 41 GLN HE22 3.800 . 3.800 3.043 2.585 3.691 . 0 0 "[ . 1 . 2]" 1
439 2 30 ILE MG 2 41 GLN HE22 4.400 . 4.400 2.006 1.859 2.781 . 0 0 "[ . 1 . 2]" 1
440 2 30 ILE MG 2 41 GLN HE21 6.000 . 6.000 3.168 2.143 3.476 . 0 0 "[ . 1 . 2]" 1
441 2 29 LYS H 2 31 GLN H 5.000 . 5.000 3.908 3.864 3.986 . 0 0 "[ . 1 . 2]" 1
442 2 30 ILE H 2 31 GLN H 3.100 . 3.100 2.580 2.545 2.597 . 0 0 "[ . 1 . 2]" 1
443 2 31 GLN H 2 31 GLN HB2 3.500 . 3.500 2.676 2.643 2.714 . 0 0 "[ . 1 . 2]" 1
444 2 31 GLN H 2 31 GLN HB3 3.400 . 3.400 2.406 2.369 2.426 . 0 0 "[ . 1 . 2]" 1
445 2 31 GLN HA 2 31 GLN HG3 4.300 . 4.300 3.182 2.628 3.639 . 0 0 "[ . 1 . 2]" 1
446 2 31 GLN HA 2 31 GLN HG2 3.600 . 3.600 2.741 2.470 3.301 . 0 0 "[ . 1 . 2]" 1
447 2 31 GLN H 2 32 ASP H 3.600 . 3.600 2.528 2.430 2.776 . 0 0 "[ . 1 . 2]" 1
448 2 31 GLN HA 2 32 ASP H 5.200 . 5.200 3.533 3.518 3.570 . 0 0 "[ . 1 . 2]" 1
449 2 31 GLN HB2 2 32 ASP H 4.100 . 4.100 3.926 3.777 3.972 . 0 0 "[ . 1 . 2]" 1
450 2 31 GLN HG3 2 32 ASP H 5.100 . 5.100 4.842 4.290 5.039 . 0 0 "[ . 1 . 2]" 1
451 2 31 GLN HG2 2 32 ASP H 4.600 . 4.600 3.969 3.158 4.444 . 0 0 "[ . 1 . 2]" 1
452 2 31 GLN HA 2 33 LYS H 6.000 . 6.000 4.033 3.980 4.259 . 0 0 "[ . 1 . 2]" 1
453 2 31 GLN HA 2 34 GLU H 5.800 . 5.800 3.762 3.579 4.510 . 0 0 "[ . 1 . 2]" 1
454 2 31 GLN HA 2 35 GLY H 3.500 . 3.500 2.808 2.626 3.495 . 0 0 "[ . 1 . 2]" 1
455 2 31 GLN HG2 2 35 GLY H 5.800 . 5.800 4.197 3.863 5.125 . 0 0 "[ . 1 . 2]" 1
456 2 31 GLN HA 2 36 ILE H 3.100 . 3.100 2.030 1.983 2.333 . 0 0 "[ . 1 . 2]" 1
457 2 31 GLN HG2 2 36 ILE H 5.400 . 5.400 3.658 3.200 4.745 . 0 0 "[ . 1 . 2]" 1
458 2 31 GLN H 2 41 GLN HE22 5.400 . 5.400 4.623 4.022 5.411 0.011 7 0 "[ . 1 . 2]" 1
459 2 29 LYS HA 2 32 ASP HB3 4.000 . 4.000 3.371 2.974 3.667 . 0 0 "[ . 1 . 2]" 1
460 2 32 ASP H 2 32 ASP HB3 3.400 . 3.400 2.839 2.548 2.965 . 0 0 "[ . 1 . 2]" 1
461 2 32 ASP H 2 32 ASP HB2 3.300 . 3.300 2.353 2.186 2.629 . 0 0 "[ . 1 . 2]" 1
462 2 32 ASP H 2 33 LYS H 3.600 . 3.600 2.434 2.369 2.579 . 0 0 "[ . 1 . 2]" 1
463 2 32 ASP HB3 2 33 LYS H 3.900 . 3.900 3.294 3.056 3.400 . 0 0 "[ . 1 . 2]" 1
464 2 32 ASP HB2 2 33 LYS H 4.500 . 4.500 3.966 3.791 4.202 . 0 0 "[ . 1 . 2]" 1
465 2 13 ILE MG 2 33 LYS QD 4.300 . 4.300 3.192 3.191 3.194 . 0 0 "[ . 1 . 2]" 1
466 2 13 ILE MG 2 33 LYS HB3 4.700 . 4.700 3.913 3.807 3.921 . 0 0 "[ . 1 . 2]" 1
467 2 13 ILE MG 2 33 LYS HE3 5.400 . 5.400 3.993 2.851 4.497 . 0 0 "[ . 1 . 2]" 1
468 2 30 ILE HA 2 33 LYS HB2 4.100 . 4.100 2.475 2.239 2.672 . 0 0 "[ . 1 . 2]" 1
469 2 33 LYS H 2 33 LYS HB3 3.900 . 3.900 3.428 3.352 3.545 . 0 0 "[ . 1 . 2]" 1
470 2 33 LYS H 2 33 LYS HB2 3.100 . 3.100 2.219 2.170 2.271 . 0 0 "[ . 1 . 2]" 1
471 2 33 LYS H 2 33 LYS QG 4.100 . 4.100 3.343 2.910 3.517 . 0 0 "[ . 1 . 2]" 1
472 2 33 LYS HE2 2 33 LYS QG 3.900 . 3.900 2.626 2.003 3.475 . 0 0 "[ . 1 . 2]" 1
473 2 33 LYS HA 2 33 LYS QG 3.800 . 3.800 2.067 2.035 2.176 . 0 0 "[ . 1 . 2]" 1
474 2 33 LYS HA 2 33 LYS QD 4.800 . 4.800 3.889 3.690 3.941 . 0 0 "[ . 1 . 2]" 1
475 2 33 LYS HB2 2 33 LYS QG 2.600 . 2.600 2.176 2.153 2.221 . 0 0 "[ . 1 . 2]" 1
476 2 33 LYS QD 2 33 LYS QG 2.500 . 2.500 2.019 2.003 2.023 . 0 0 "[ . 1 . 2]" 1
477 2 33 LYS HA 2 34 GLU H 5.600 . 5.600 3.512 3.483 3.571 . 0 0 "[ . 1 . 2]" 1
478 2 33 LYS HB2 2 34 GLU H 4.300 . 4.300 2.988 2.233 3.243 . 0 0 "[ . 1 . 2]" 1
479 2 13 ILE MD 2 34 GLU HG3 6.000 . 6.000 4.874 4.532 5.002 . 0 0 "[ . 1 . 2]" 1
480 2 13 ILE MD 2 34 GLU HG2 6.000 . 6.000 4.594 4.092 4.762 . 0 0 "[ . 1 . 2]" 1
481 2 30 ILE MG 2 34 GLU HB3 4.600 . 4.600 3.832 3.831 3.836 . 0 0 "[ . 1 . 2]" 1
482 2 30 ILE MG 2 34 GLU HG2 5.200 . 5.200 4.067 2.960 4.332 . 0 0 "[ . 1 . 2]" 1
483 2 33 LYS H 2 34 GLU H 3.300 . 3.300 2.305 2.150 2.935 . 0 0 "[ . 1 . 2]" 1
484 2 34 GLU H 2 34 GLU HG3 4.500 . 4.500 3.847 2.734 4.480 . 0 0 "[ . 1 . 2]" 1
485 2 34 GLU H 2 34 GLU HB2 3.300 . 3.300 2.367 2.142 2.483 . 0 0 "[ . 1 . 2]" 1
486 2 34 GLU HB2 2 34 GLU HG3 2.900 . 2.900 2.311 2.217 2.578 . 0 0 "[ . 1 . 2]" 1
487 2 34 GLU HA 2 34 GLU HB3 3.100 . 3.100 2.661 2.527 2.734 . 0 0 "[ . 1 . 2]" 1
488 2 34 GLU HA 2 34 GLU HG2 3.600 . 3.600 2.379 2.135 2.944 . 0 0 "[ . 1 . 2]" 1
489 2 34 GLU H 2 35 GLY H 3.100 . 3.100 2.107 1.971 2.565 . 0 0 "[ . 1 . 2]" 1
490 2 34 GLU HA 2 35 GLY H 5.200 . 5.200 3.512 3.442 3.537 . 0 0 "[ . 1 . 2]" 1
491 2 34 GLU HB3 2 35 GLY H 6.000 . 6.000 3.481 3.281 3.791 . 0 0 "[ . 1 . 2]" 1
492 2 34 GLU HB2 2 35 GLY H 4.700 . 4.700 2.980 2.796 3.314 . 0 0 "[ . 1 . 2]" 1
493 2 34 GLU HA 2 36 ILE H 6.000 . 6.000 5.004 4.874 5.073 . 0 0 "[ . 1 . 2]" 1
494 2 34 GLU HB2 2 36 ILE H 4.300 . 4.300 3.413 3.093 3.624 . 0 0 "[ . 1 . 2]" 1
495 2 34 GLU HB3 2 36 ILE MD 4.100 . 4.100 2.477 2.201 2.892 . 0 0 "[ . 1 . 2]" 1
496 2 33 LYS H 2 35 GLY H 4.800 . 4.800 3.453 3.318 3.564 . 0 0 "[ . 1 . 2]" 1
497 2 34 GLU H 2 35 GLY HA3 6.000 . 6.000 4.765 4.626 5.192 . 0 0 "[ . 1 . 2]" 1
498 2 35 GLY H 2 36 ILE H 3.700 . 3.700 2.160 2.085 2.322 . 0 0 "[ . 1 . 2]" 1
499 2 35 GLY HA2 2 36 ILE H 4.300 . 4.300 2.967 2.936 2.997 . 0 0 "[ . 1 . 2]" 1
500 2 35 GLY HA3 2 36 ILE H 5.000 . 5.000 3.485 3.474 3.497 . 0 0 "[ . 1 . 2]" 1
501 2 34 GLU H 2 36 ILE H 6.000 . 6.000 3.763 3.635 4.067 . 0 0 "[ . 1 . 2]" 1
502 2 34 GLU HB2 2 36 ILE MD 4.100 . 4.100 3.145 2.866 3.415 . 0 0 "[ . 1 . 2]" 1
503 2 35 GLY H 2 36 ILE HB 6.000 . 6.000 3.545 3.412 3.734 . 0 0 "[ . 1 . 2]" 1
504 2 36 ILE H 2 36 ILE HB 2.800 . 2.800 2.309 2.218 2.399 . 0 0 "[ . 1 . 2]" 1
505 2 36 ILE H 2 36 ILE HG12 4.500 . 4.500 3.766 3.637 3.908 . 0 0 "[ . 1 . 2]" 1
506 2 36 ILE H 2 36 ILE MD 5.300 . 5.300 3.811 3.675 3.946 . 0 0 "[ . 1 . 2]" 1
507 2 36 ILE MD 2 36 ILE MG 2.800 . 2.800 1.934 1.753 1.946 . 0 0 "[ . 1 . 2]" 1
508 2 36 ILE HB 2 36 ILE MD 3.600 . 3.600 2.375 2.353 2.464 . 0 0 "[ . 1 . 2]" 1
509 2 36 ILE HA 2 36 ILE MG 3.400 . 3.400 2.259 2.204 2.308 . 0 0 "[ . 1 . 2]" 1
510 2 36 ILE HA 2 36 ILE HG12 3.900 . 3.900 2.672 2.603 2.711 . 0 0 "[ . 1 . 2]" 1
511 2 36 ILE MD 2 36 ILE HG13 2.500 . 2.500 2.084 2.075 2.104 . 0 0 "[ . 1 . 2]" 1
512 2 36 ILE HA 2 37 PRO HD3 3.100 . 3.100 2.164 2.011 2.498 . 0 0 "[ . 1 . 2]" 1
513 2 36 ILE MG 2 37 PRO HD2 3.600 . 3.600 2.612 1.957 2.942 . 0 0 "[ . 1 . 2]" 1
514 2 36 ILE MG 2 40 GLN H 5.800 . 5.800 4.047 3.719 4.411 . 0 0 "[ . 1 . 2]" 1
515 2 36 ILE MG 2 40 GLN QG 5.200 . 5.200 3.669 2.930 3.866 . 0 0 "[ . 1 . 2]" 1
516 2 36 ILE MG 2 40 GLN HB2 4.000 . 4.000 2.844 2.322 3.301 . 0 0 "[ . 1 . 2]" 1
517 2 36 ILE HB 2 41 GLN H 6.000 . 6.000 5.202 4.709 5.604 . 0 0 "[ . 1 . 2]" 1
518 2 36 ILE MG 2 41 GLN H 5.000 . 5.000 3.058 2.706 3.338 . 0 0 "[ . 1 . 2]" 1
519 2 36 ILE HB 2 41 GLN HE22 4.800 . 4.800 2.642 1.975 4.800 0.000 4 0 "[ . 1 . 2]" 1
520 2 36 ILE HB 2 41 GLN HE21 5.200 . 5.200 3.206 1.992 4.544 . 0 0 "[ . 1 . 2]" 1
521 2 36 ILE MG 2 41 GLN HE21 5.100 . 5.100 3.243 2.287 4.246 . 0 0 "[ . 1 . 2]" 1
522 2 36 ILE MG 2 41 GLN HG3 4.300 . 4.300 3.373 1.931 3.586 . 0 0 "[ . 1 . 2]" 1
523 2 36 ILE H 2 37 PRO HD2 6.000 . 6.000 4.997 4.710 5.144 . 0 0 "[ . 1 . 2]" 1
524 2 36 ILE HA 2 37 PRO HD2 3.500 . 3.500 2.326 1.987 2.458 . 0 0 "[ . 1 . 2]" 1
525 2 36 ILE MG 2 37 PRO HD3 5.800 . 5.800 3.592 3.283 3.811 . 0 0 "[ . 1 . 2]" 1
526 2 36 ILE MG 2 37 PRO HG2 6.000 . 6.000 4.469 3.471 4.817 . 0 0 "[ . 1 . 2]" 1
527 2 37 PRO HA 2 37 PRO HG3 4.300 . 4.300 3.122 2.946 4.037 . 0 0 "[ . 1 . 2]" 1
528 2 37 PRO HA 2 39 ASP H 6.000 . 6.000 4.265 3.931 4.833 . 0 0 "[ . 1 . 2]" 1
529 2 37 PRO HD2 2 40 GLN H 6.000 . 6.000 4.487 3.899 5.038 . 0 0 "[ . 1 . 2]" 1
530 2 37 PRO HG2 2 40 GLN H 5.600 . 5.600 4.445 2.293 5.445 . 0 0 "[ . 1 . 2]" 1
531 2 37 PRO HB2 2 40 GLN H 3.400 . 3.400 2.777 2.013 3.405 0.005 5 0 "[ . 1 . 2]" 1
532 2 37 PRO HB2 2 40 GLN QG 4.200 . 4.200 2.772 2.084 3.756 . 0 0 "[ . 1 . 2]" 1
533 2 37 PRO HA 2 38 PRO QD 2.900 . 2.900 1.930 1.890 2.087 . 0 0 "[ . 1 . 2]" 1
534 2 38 PRO HA 2 39 ASP H 5.200 . 5.200 3.495 2.726 3.573 . 0 0 "[ . 1 . 2]" 1
535 2 38 PRO QD 2 39 ASP H 4.300 . 4.300 2.766 2.530 3.838 . 0 0 "[ . 1 . 2]" 1
536 2 38 PRO HB3 2 39 ASP H 6.000 . 6.000 3.992 3.514 4.668 . 0 0 "[ . 1 . 2]" 1
537 2 38 PRO HG2 2 39 ASP H 4.700 . 4.700 3.952 2.547 4.547 . 0 0 "[ . 1 . 2]" 1
538 2 38 PRO HG3 2 39 ASP H 6.000 . 6.000 4.555 3.996 5.487 . 0 0 "[ . 1 . 2]" 1
539 2 38 PRO HA 2 40 GLN H 5.800 . 5.800 4.062 3.643 4.680 . 0 0 "[ . 1 . 2]" 1
540 2 38 PRO QD 2 40 GLN H 6.000 . 6.000 4.347 3.935 4.763 . 0 0 "[ . 1 . 2]" 1
541 2 38 PRO HA 2 41 GLN H 5.100 . 5.100 3.903 3.466 4.438 . 0 0 "[ . 1 . 2]" 1
542 2 38 PRO HA 2 41 GLN HE22 6.000 . 6.000 4.963 3.635 5.613 . 0 0 "[ . 1 . 2]" 1
543 2 38 PRO HA 2 41 GLN HE21 5.000 . 5.000 3.470 3.069 4.260 . 0 0 "[ . 1 . 2]" 1
544 2 39 ASP H 2 39 ASP HB3 4.100 . 4.100 3.277 2.632 3.655 . 0 0 "[ . 1 . 2]" 1
545 2 39 ASP H 2 39 ASP HB2 3.600 . 3.600 2.470 2.160 3.585 . 0 0 "[ . 1 . 2]" 1
546 2 39 ASP HB3 2 40 GLN H 5.100 . 5.100 3.788 2.583 4.443 . 0 0 "[ . 1 . 2]" 1
547 2 39 ASP HB2 2 40 GLN H 5.600 . 5.600 3.648 2.856 4.453 . 0 0 "[ . 1 . 2]" 1
548 2 39 ASP H 2 41 GLN H 5.200 . 5.200 4.280 2.706 4.681 . 0 0 "[ . 1 . 2]" 1
549 2 36 ILE MG 2 40 GLN HB3 3.800 . 3.800 2.542 1.857 3.093 . 0 0 "[ . 1 . 2]" 1
550 2 39 ASP H 2 40 GLN H 3.600 . 3.600 2.599 1.990 2.865 . 0 0 "[ . 1 . 2]" 1
551 2 40 GLN H 2 40 GLN HB2 3.100 . 3.100 2.317 2.137 2.640 . 0 0 "[ . 1 . 2]" 1
552 2 40 GLN HA 2 40 GLN QG 4.000 . 4.000 2.464 2.084 2.768 . 0 0 "[ . 1 . 2]" 1
553 2 40 GLN HB2 2 40 GLN QG 2.800 . 2.800 2.189 2.132 2.390 . 0 0 "[ . 1 . 2]" 1
554 2 40 GLN HA 2 72 ARG H 4.700 . 4.700 4.429 4.092 4.601 . 0 0 "[ . 1 . 2]" 1
555 2 40 GLN HB3 2 72 ARG H 4.400 . 4.400 4.004 3.606 4.285 . 0 0 "[ . 1 . 2]" 1
556 2 31 GLN H 2 41 GLN HE21 6.000 . 6.000 4.849 4.384 5.774 . 0 0 "[ . 1 . 2]" 1
557 2 36 ILE MG 2 41 GLN HG2 3.600 . 3.600 2.251 1.900 2.520 . 0 0 "[ . 1 . 2]" 1
558 2 38 PRO HA 2 41 GLN HG3 4.300 . 4.300 3.903 3.162 4.303 0.003 10 0 "[ . 1 . 2]" 1
559 2 40 GLN H 2 41 GLN H 3.100 . 3.100 2.350 1.906 2.839 . 0 0 "[ . 1 . 2]" 1
560 2 40 GLN H 2 41 GLN HG2 6.000 . 6.000 4.052 3.310 6.001 0.001 7 0 "[ . 1 . 2]" 1
561 2 41 GLN H 2 41 GLN HG3 4.000 . 4.000 3.087 1.957 3.486 . 0 0 "[ . 1 . 2]" 1
562 2 41 GLN H 2 41 GLN HB3 3.100 . 3.100 3.072 2.819 3.127 0.027 4 0 "[ . 1 . 2]" 1
563 2 41 GLN H 2 41 GLN HG2 3.600 . 3.600 2.251 1.960 3.591 . 0 0 "[ . 1 . 2]" 1
564 2 41 GLN HG3 2 69 LEU MD2 4.300 . 4.300 3.493 3.228 3.602 . 0 0 "[ . 1 . 2]" 1
565 2 41 GLN HB2 2 69 LEU MD2 3.400 . 3.400 1.905 1.807 2.162 . 0 0 "[ . 1 . 2]" 1
566 2 42 ARG HB2 2 42 ARG HD3 4.100 . 4.100 2.899 2.059 3.951 . 0 0 "[ . 1 . 2]" 1
567 2 42 ARG HB3 2 42 ARG QG 2.600 . 2.600 2.246 2.134 2.367 . 0 0 "[ . 1 . 2]" 1
568 2 42 ARG HB2 2 42 ARG HD2 4.300 . 4.300 3.064 2.102 4.204 . 0 0 "[ . 1 . 2]" 1
569 2 42 ARG HA 2 42 ARG QG 3.500 . 3.500 2.545 2.228 3.117 . 0 0 "[ . 1 . 2]" 1
570 2 42 ARG HA 2 43 LEU H 3.000 . 3.000 2.386 2.145 2.644 . 0 0 "[ . 1 . 2]" 1
571 2 42 ARG HB2 2 44 ILE MD 4.800 . 4.800 3.804 2.992 4.006 . 0 0 "[ . 1 . 2]" 1
572 2 42 ARG HB3 2 70 VAL H 5.600 . 5.600 4.660 3.978 5.243 . 0 0 "[ . 1 . 2]" 1
573 2 42 ARG HB2 2 70 VAL MG1 4.100 . 4.100 3.354 3.183 3.421 . 0 0 "[ . 1 . 2]" 1
574 2 43 LEU H 2 43 LEU HB2 4.100 . 4.100 2.681 2.217 3.125 . 0 0 "[ . 1 . 2]" 1
575 2 43 LEU H 2 43 LEU QD 4.700 . 4.700 3.611 3.235 3.919 . 0 0 "[ . 1 . 2]" 1
576 2 43 LEU HB2 2 43 LEU MD2 3.600 . 3.600 2.296 1.924 2.589 . 0 0 "[ . 1 . 2]" 1
577 2 43 LEU HB3 2 43 LEU MD2 3.400 . 3.400 2.399 2.139 3.012 . 0 0 "[ . 1 . 2]" 1
578 2 43 LEU HA 2 43 LEU MD1 3.400 . 3.400 2.040 1.819 2.575 . 0 0 "[ . 1 . 2]" 1
579 2 43 LEU QD 2 43 LEU HG 2.200 . 2.200 1.861 1.852 1.873 . 0 0 "[ . 1 . 2]" 1
580 2 43 LEU HB3 2 43 LEU MD1 3.600 . 3.600 3.103 2.700 3.143 . 0 0 "[ . 1 . 2]" 1
581 2 43 LEU HA 2 44 ILE H 3.000 . 3.000 2.228 2.138 2.305 . 0 0 "[ . 1 . 2]" 1
582 2 43 LEU HB3 2 44 ILE H 4.800 . 4.800 3.534 3.258 4.039 . 0 0 "[ . 1 . 2]" 1
583 2 43 LEU QD 2 44 ILE H 4.800 . 4.800 2.922 1.889 3.391 . 0 0 "[ . 1 . 2]" 1
584 2 43 LEU HB2 2 50 LEU MD2 4.000 . 4.000 3.333 3.272 3.347 . 0 0 "[ . 1 . 2]" 1
585 2 43 LEU MD1 2 67 LEU QB 3.600 . 3.600 2.535 1.806 2.681 . 0 0 "[ . 1 . 2]" 1
586 2 43 LEU MD1 2 68 HIS H 6.000 . 6.000 4.036 2.640 4.486 . 0 0 "[ . 1 . 2]" 1
587 2 43 LEU HA 2 68 HIS H 6.000 . 6.000 5.103 4.869 5.267 . 0 0 "[ . 1 . 2]" 1
588 2 43 LEU H 2 44 ILE H 6.000 . 6.000 4.417 4.198 4.600 . 0 0 "[ . 1 . 2]" 1
589 2 44 ILE H 2 44 ILE HB 3.300 . 3.300 2.892 2.750 3.016 . 0 0 "[ . 1 . 2]" 1
590 2 44 ILE H 2 44 ILE HG13 4.600 . 4.600 3.110 2.680 3.628 . 0 0 "[ . 1 . 2]" 1
591 2 44 ILE H 2 44 ILE HG12 5.000 . 5.000 4.222 3.765 4.516 . 0 0 "[ . 1 . 2]" 1
592 2 44 ILE HA 2 44 ILE MG 3.300 . 3.300 2.316 2.209 2.380 . 0 0 "[ . 1 . 2]" 1
593 2 44 ILE HA 2 44 ILE HG13 4.500 . 4.500 2.789 2.458 3.214 . 0 0 "[ . 1 . 2]" 1
594 2 44 ILE HA 2 44 ILE HG12 4.300 . 4.300 3.068 2.603 3.614 . 0 0 "[ . 1 . 2]" 1
595 2 44 ILE HB 2 44 ILE MD 3.600 . 3.600 2.248 2.049 2.487 . 0 0 "[ . 1 . 2]" 1
596 2 44 ILE HG12 2 44 ILE MG 3.600 . 3.600 2.231 1.989 2.440 . 0 0 "[ . 1 . 2]" 1
597 2 44 ILE HA 2 45 PHE H 2.800 . 2.800 2.234 2.178 2.294 . 0 0 "[ . 1 . 2]" 1
598 2 44 ILE HB 2 45 PHE H 6.000 . 6.000 3.835 3.680 3.981 . 0 0 "[ . 1 . 2]" 1
599 2 44 ILE HG13 2 45 PHE H 6.000 . 6.000 4.751 4.372 5.130 . 0 0 "[ . 1 . 2]" 1
600 2 44 ILE HG12 2 45 PHE H 6.000 . 6.000 4.654 4.376 5.057 . 0 0 "[ . 1 . 2]" 1
601 2 44 ILE MG 2 45 PHE H 3.600 . 3.600 2.180 2.020 2.409 . 0 0 "[ . 1 . 2]" 1
602 2 44 ILE H 2 45 PHE H 6.000 . 6.000 4.362 4.247 4.460 . 0 0 "[ . 1 . 2]" 1
603 2 44 ILE MG 2 45 PHE HA 4.300 . 4.300 3.418 3.258 3.581 . 0 0 "[ . 1 . 2]" 1
604 2 44 ILE MG 2 46 ALA H 6.000 . 6.000 4.214 3.840 4.478 . 0 0 "[ . 1 . 2]" 1
605 2 44 ILE MG 2 47 GLY H 4.100 . 4.100 2.993 2.393 3.416 . 0 0 "[ . 1 . 2]" 1
606 2 44 ILE HA 2 48 LYS H 6.000 . 6.000 4.537 4.082 5.458 . 0 0 "[ . 1 . 2]" 1
607 2 44 ILE MG 2 48 LYS H 4.300 . 4.300 2.808 2.349 3.540 . 0 0 "[ . 1 . 2]" 1
608 2 44 ILE MD 2 49 GLN H 6.000 . 6.000 3.897 3.017 4.322 . 0 0 "[ . 1 . 2]" 1
609 2 44 ILE MD 2 49 GLN HA 4.300 . 4.300 2.751 2.208 3.250 . 0 0 "[ . 1 . 2]" 1
610 2 44 ILE HG13 2 49 GLN HA 6.000 . 6.000 3.594 2.392 4.478 . 0 0 "[ . 1 . 2]" 1
611 2 44 ILE HA 2 50 LEU H 4.700 . 4.700 2.455 2.064 2.847 . 0 0 "[ . 1 . 2]" 1
612 2 44 ILE MG 2 50 LEU H 6.000 . 6.000 3.783 3.252 4.215 . 0 0 "[ . 1 . 2]" 1
613 2 44 ILE HB 2 68 HIS H 4.700 . 4.700 4.204 3.931 4.374 . 0 0 "[ . 1 . 2]" 1
614 2 44 ILE HB 2 68 HIS HB3 4.800 . 4.800 3.236 2.254 4.122 . 0 0 "[ . 1 . 2]" 1
615 2 44 ILE HB 2 68 HIS HB2 3.300 . 3.300 2.280 1.990 3.294 . 0 0 "[ . 1 . 2]" 1
616 2 45 PHE H 2 45 PHE HB3 3.900 . 3.900 3.013 2.764 3.180 . 0 0 "[ . 1 . 2]" 1
617 2 45 PHE HA 2 45 PHE QE 6.000 . 6.000 4.395 4.220 4.633 . 0 0 "[ . 1 . 2]" 1
618 2 45 PHE HA 2 45 PHE QD 3.600 . 3.600 2.354 2.051 2.838 . 0 0 "[ . 1 . 2]" 1
619 2 45 PHE HA 2 46 ALA H 3.400 . 3.400 2.170 2.140 2.215 . 0 0 "[ . 1 . 2]" 1
620 2 45 PHE HA 2 47 GLY H 6.000 . 6.000 3.663 3.468 3.859 . 0 0 "[ . 1 . 2]" 1
621 2 45 PHE H 2 48 LYS H 3.900 . 3.900 2.789 2.478 3.581 . 0 0 "[ . 1 . 2]" 1
622 2 45 PHE HB2 2 50 LEU MD1 4.500 . 4.500 2.662 2.125 3.086 . 0 0 "[ . 1 . 2]" 1
623 2 45 PHE HB3 2 50 LEU MD1 3.600 . 3.600 2.215 1.913 2.411 . 0 0 "[ . 1 . 2]" 1
624 2 45 PHE HB2 2 50 LEU MD2 4.300 . 4.300 2.909 2.746 3.107 . 0 0 "[ . 1 . 2]" 1
625 2 45 PHE HB3 2 50 LEU MD2 4.300 . 4.300 3.430 3.049 3.587 . 0 0 "[ . 1 . 2]" 1
626 2 45 PHE HB2 2 61 ILE MD 4.800 . 4.800 3.672 3.200 3.998 . 0 0 "[ . 1 . 2]" 1
627 2 45 PHE HB3 2 61 ILE MD 5.400 . 5.400 3.545 3.276 3.958 . 0 0 "[ . 1 . 2]" 1
628 2 45 PHE HZ 2 61 ILE HA 5.200 . 5.200 3.542 2.677 4.608 . 0 0 "[ . 1 . 2]" 1
629 2 45 PHE QE 2 66 THR H 4.800 . 4.800 3.101 2.314 3.938 . 0 0 "[ . 1 . 2]" 1
630 2 45 PHE HB2 2 67 LEU MD2 4.600 . 4.600 1.890 1.856 1.958 . 0 0 "[ . 1 . 2]" 1
631 2 45 PHE HB3 2 67 LEU MD1 6.000 . 6.000 4.916 4.578 5.004 . 0 0 "[ . 1 . 2]" 1
632 2 45 PHE H 2 46 ALA MB 6.000 . 6.000 4.598 4.480 4.747 . 0 0 "[ . 1 . 2]" 1
633 2 45 PHE QD 2 46 ALA MB 5.400 . 5.400 3.148 2.347 3.526 . 0 0 "[ . 1 . 2]" 1
634 2 46 ALA H 2 47 GLY H 4.300 . 4.300 2.738 2.687 2.787 . 0 0 "[ . 1 . 2]" 1
635 2 46 ALA HA 2 47 GLY H 3.600 . 3.600 2.867 2.767 3.035 . 0 0 "[ . 1 . 2]" 1
636 2 44 ILE MG 2 47 GLY HA2 5.600 . 5.600 3.037 2.662 3.388 . 0 0 "[ . 1 . 2]" 1
637 2 47 GLY H 2 47 GLY HA2 3.000 . 3.000 2.310 2.295 2.370 . 0 0 "[ . 1 . 2]" 1
638 2 47 GLY H 2 48 LYS H 3.800 . 3.800 2.647 2.459 2.863 . 0 0 "[ . 1 . 2]" 1
639 2 47 GLY HA3 2 48 LYS H 5.000 . 5.000 3.401 2.957 3.485 . 0 0 "[ . 1 . 2]" 1
640 2 47 GLY HA2 2 48 LYS H 4.300 . 4.300 3.076 2.974 3.492 . 0 0 "[ . 1 . 2]" 1
641 2 45 PHE H 2 48 LYS QB 5.300 . 5.300 3.428 3.099 3.759 . 0 0 "[ . 1 . 2]" 1
642 2 46 ALA MB 2 48 LYS QG 5.600 . 5.600 3.254 2.253 4.155 . 0 0 "[ . 1 . 2]" 1
643 2 46 ALA MB 2 48 LYS QE 5.200 . 5.200 2.764 1.832 3.551 . 0 0 "[ . 1 . 2]" 1
644 2 48 LYS H 2 48 LYS QB 3.400 . 3.400 2.543 2.304 2.750 . 0 0 "[ . 1 . 2]" 1
645 2 48 LYS H 2 48 LYS QG 4.100 . 4.100 2.974 2.429 3.654 . 0 0 "[ . 1 . 2]" 1
646 2 48 LYS HA 2 48 LYS QG 4.000 . 4.000 2.483 2.161 3.120 . 0 0 "[ . 1 . 2]" 1
647 2 48 LYS HA 2 49 GLN H 2.800 . 2.800 2.187 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
648 2 48 LYS QG 2 49 GLN H 5.800 . 5.800 4.100 3.682 4.757 . 0 0 "[ . 1 . 2]" 1
649 2 44 ILE HA 2 49 GLN HA 4.300 . 4.300 2.927 2.189 3.114 . 0 0 "[ . 1 . 2]" 1
650 2 45 PHE H 2 49 GLN HA 5.800 . 5.800 4.115 3.493 4.303 . 0 0 "[ . 1 . 2]" 1
651 2 48 LYS H 2 49 GLN H 5.400 . 5.400 4.393 4.104 4.592 . 0 0 "[ . 1 . 2]" 1
652 2 49 GLN H 2 49 GLN HG2 4.600 . 4.600 3.311 2.118 4.399 . 0 0 "[ . 1 . 2]" 1
653 2 49 GLN H 2 49 GLN HG3 4.900 . 4.900 3.664 2.179 4.651 . 0 0 "[ . 1 . 2]" 1
654 2 49 GLN H 2 49 GLN HB2 3.600 . 3.600 2.606 2.158 3.600 . 5 0 "[ . 1 . 2]" 1
655 2 49 GLN H 2 49 GLN HB3 3.600 . 3.600 3.210 2.658 3.608 0.008 9 0 "[ . 1 . 2]" 1
656 2 49 GLN HB2 2 49 GLN HG2 2.800 . 2.800 2.683 2.397 2.847 0.047 1 0 "[ . 1 . 2]" 1
657 2 49 GLN HB2 2 49 GLN HG3 2.600 . 2.600 2.395 2.231 2.741 0.141 15 0 "[ . 1 . 2]" 1
658 2 49 GLN HB3 2 49 GLN HG3 2.700 . 2.700 2.675 2.391 2.834 0.134 1 0 "[ . 1 . 2]" 1
659 2 49 GLN HB3 2 49 GLN HG2 3.000 . 3.000 2.768 2.189 3.006 0.006 20 0 "[ . 1 . 2]" 1
660 2 49 GLN HA 2 50 LEU H 2.900 . 2.900 2.154 2.137 2.180 . 0 0 "[ . 1 . 2]" 1
661 2 49 GLN HG2 2 50 LEU H 5.800 . 5.800 4.532 3.067 5.623 . 0 0 "[ . 1 . 2]" 1
662 2 49 GLN HB3 2 50 LEU H 5.500 . 5.500 3.945 3.511 4.397 . 0 0 "[ . 1 . 2]" 1
663 2 49 GLN HB2 2 50 LEU H 5.800 . 5.800 4.280 3.423 4.613 . 0 0 "[ . 1 . 2]" 1
664 2 49 GLN HG3 2 50 LEU H 5.800 . 5.800 5.114 4.213 5.746 . 0 0 "[ . 1 . 2]" 1
665 2 23 ILE MG 2 50 LEU HB3 3.500 . 3.500 2.224 1.834 2.536 . 0 0 "[ . 1 . 2]" 1
666 2 23 ILE MD 2 50 LEU MD1 5.800 . 5.800 3.352 3.267 3.538 . 0 0 "[ . 1 . 2]" 1
667 2 23 ILE MD 2 50 LEU HB3 4.100 . 4.100 2.280 1.948 2.974 . 0 0 "[ . 1 . 2]" 1
668 2 43 LEU HB3 2 50 LEU MD2 4.700 . 4.700 2.073 1.969 2.243 . 0 0 "[ . 1 . 2]" 1
669 2 45 PHE H 2 50 LEU MD2 5.600 . 5.600 4.334 4.213 4.539 . 0 0 "[ . 1 . 2]" 1
670 2 45 PHE HA 2 50 LEU MD2 6.000 . 6.000 4.976 4.660 5.003 . 0 0 "[ . 1 . 2]" 1
671 2 50 LEU H 2 50 LEU HB3 3.300 . 3.300 3.278 3.249 3.303 0.003 10 0 "[ . 1 . 2]" 1
672 2 50 LEU H 2 50 LEU HB2 4.300 . 4.300 2.142 2.092 2.203 . 0 0 "[ . 1 . 2]" 1
673 2 50 LEU H 2 50 LEU MD2 5.200 . 5.200 3.973 3.721 4.192 . 0 0 "[ . 1 . 2]" 1
674 2 50 LEU HB3 2 50 LEU MD2 3.600 . 3.600 2.270 2.134 2.414 . 0 0 "[ . 1 . 2]" 1
675 2 50 LEU HB3 2 50 LEU MD2 2.300 . 2.300 1.916 1.870 1.952 . 0 0 "[ . 1 . 2]" 1
676 2 50 LEU MD2 2 50 LEU HG 2.400 . 2.400 2.067 2.061 2.071 . 0 0 "[ . 1 . 2]" 1
677 2 50 LEU HA 2 50 LEU MD1 3.100 . 3.100 2.379 2.178 2.583 . 0 0 "[ . 1 . 2]" 1
678 2 50 LEU HB2 2 50 LEU MD2 3.600 . 3.600 2.346 2.195 2.485 . 0 0 "[ . 1 . 2]" 1
679 2 50 LEU H 2 51 GLU H 5.500 . 5.500 4.023 3.777 4.433 . 0 0 "[ . 1 . 2]" 1
680 2 50 LEU HA 2 51 GLU H 3.000 . 3.000 2.318 2.143 2.440 . 0 0 "[ . 1 . 2]" 1
681 2 50 LEU HB3 2 51 GLU H 5.000 . 5.000 3.824 3.418 3.993 . 0 0 "[ . 1 . 2]" 1
682 2 50 LEU HB2 2 51 GLU H 5.800 . 5.800 4.590 4.537 4.634 . 0 0 "[ . 1 . 2]" 1
683 2 50 LEU MD1 2 61 ILE MD 4.100 . 4.100 2.845 2.843 2.846 . 0 0 "[ . 1 . 2]" 1
684 2 51 GLU H 2 51 GLU HG2 4.500 . 4.500 3.244 2.454 4.501 0.001 4 0 "[ . 1 . 2]" 1
685 2 51 GLU H 2 51 GLU HG3 4.000 . 4.000 2.494 1.999 3.913 . 0 0 "[ . 1 . 2]" 1
686 2 51 GLU H 2 51 GLU HB2 3.300 . 3.300 2.521 2.073 2.736 . 0 0 "[ . 1 . 2]" 1
687 2 51 GLU HA 2 51 GLU HG3 3.600 . 3.600 3.212 2.244 3.600 0.000 13 0 "[ . 1 . 2]" 1
688 2 51 GLU HA 2 51 GLU HG2 3.300 . 3.300 2.595 2.168 3.243 . 0 0 "[ . 1 . 2]" 1
689 2 51 GLU HA 2 52 ASP H 2.800 . 2.800 2.381 2.225 2.796 . 0 0 "[ . 1 . 2]" 1
690 2 51 GLU HB3 2 52 ASP H 3.800 . 3.800 2.589 1.995 2.959 . 0 0 "[ . 1 . 2]" 1
691 2 51 GLU HB2 2 54 ARG H 5.000 . 5.000 4.896 4.494 5.006 0.006 5 0 "[ . 1 . 2]" 1
692 2 23 ILE H 2 52 ASP HA 6.000 . 6.000 4.027 3.664 4.608 . 0 0 "[ . 1 . 2]" 1
693 2 23 ILE MG 2 52 ASP HA 3.900 . 3.900 3.096 2.631 3.252 . 0 0 "[ . 1 . 2]" 1
694 2 23 ILE HB 2 52 ASP HA 3.300 . 3.300 2.078 1.976 2.335 . 0 0 "[ . 1 . 2]" 1
695 2 24 GLU H 2 52 ASP HA 5.600 . 5.600 3.263 3.160 3.664 . 0 0 "[ . 1 . 2]" 1
696 2 52 ASP H 2 52 ASP HB2 3.700 . 3.700 2.660 2.221 3.585 . 0 0 "[ . 1 . 2]" 1
697 2 52 ASP H 2 54 ARG H 6.000 . 6.000 5.308 4.514 5.753 . 0 0 "[ . 1 . 2]" 1
698 2 52 ASP HA 2 54 ARG H 5.500 . 5.500 3.919 3.237 4.235 . 0 0 "[ . 1 . 2]" 1
699 2 53 GLY QA 2 54 ARG H 4.000 . 4.000 2.737 2.498 2.930 . 0 0 "[ . 1 . 2]" 1
700 2 54 ARG H 2 54 ARG HB3 3.800 . 3.800 3.749 3.640 3.807 0.007 17 0 "[ . 1 . 2]" 1
701 2 54 ARG H 2 54 ARG HB2 3.800 . 3.800 2.632 2.415 2.754 . 0 0 "[ . 1 . 2]" 1
702 2 54 ARG H 2 54 ARG HG2 4.100 . 4.100 3.263 2.683 3.852 . 0 0 "[ . 1 . 2]" 1
703 2 54 ARG HA 2 54 ARG HG2 3.900 . 3.900 2.742 2.305 3.133 . 0 0 "[ . 1 . 2]" 1
704 2 54 ARG HA 2 54 ARG HD3 4.600 . 4.600 2.711 1.999 3.563 . 0 0 "[ . 1 . 2]" 1
705 2 54 ARG HA 2 54 ARG HG3 3.800 . 3.800 3.706 3.527 3.806 0.006 15 0 "[ . 1 . 2]" 1
706 2 54 ARG HA 2 55 THR H 3.300 . 3.300 2.236 2.160 2.476 . 0 0 "[ . 1 . 2]" 1
707 2 54 ARG HB3 2 55 THR H 3.800 . 3.800 2.939 2.311 3.209 . 0 0 "[ . 1 . 2]" 1
708 2 54 ARG HB2 2 55 THR H 4.100 . 4.100 4.062 3.736 4.110 0.010 15 0 "[ . 1 . 2]" 1
709 2 54 ARG HG2 2 55 THR H 6.000 . 6.000 4.693 4.121 5.117 . 0 0 "[ . 1 . 2]" 1
710 2 20 SER HA 2 55 THR MG 4.000 . 4.000 2.589 1.937 3.331 . 0 0 "[ . 1 . 2]" 1
711 2 21 ASP H 2 55 THR HB 5.800 . 5.800 4.702 3.334 5.801 0.001 1 0 "[ . 1 . 2]" 1
712 2 22 THR H 2 55 THR HA 6.000 . 6.000 4.516 4.219 4.952 . 0 0 "[ . 1 . 2]" 1
713 2 22 THR H 2 55 THR MG 5.000 . 5.000 3.895 2.825 4.166 . 0 0 "[ . 1 . 2]" 1
714 2 22 THR HA 2 55 THR HA 3.100 . 3.100 2.545 1.997 2.815 . 0 0 "[ . 1 . 2]" 1
715 2 22 THR HA 2 55 THR MG 4.000 . 4.000 3.105 2.545 3.334 . 0 0 "[ . 1 . 2]" 1
716 2 23 ILE H 2 55 THR HA 5.000 . 5.000 4.321 3.586 4.702 . 0 0 "[ . 1 . 2]" 1
717 2 54 ARG H 2 55 THR H 6.000 . 6.000 4.405 4.336 4.525 . 0 0 "[ . 1 . 2]" 1
718 2 55 THR H 2 55 THR MG 3.800 . 3.800 2.867 2.404 3.164 . 0 0 "[ . 1 . 2]" 1
719 2 55 THR HA 2 55 THR MG 3.400 . 3.400 2.195 2.031 2.459 . 0 0 "[ . 1 . 2]" 1
720 2 55 THR HA 2 56 LEU H 3.100 . 3.100 2.389 2.226 2.575 . 0 0 "[ . 1 . 2]" 1
721 2 55 THR HB 2 56 LEU H 3.400 . 3.400 2.519 2.087 2.956 . 0 0 "[ . 1 . 2]" 1
722 2 55 THR MG 2 56 LEU H 6.000 . 6.000 3.450 3.070 4.003 . 0 0 "[ . 1 . 2]" 1
723 2 55 THR HA 2 57 SER H 6.000 . 6.000 4.399 3.977 4.915 . 0 0 "[ . 1 . 2]" 1
724 2 55 THR HB 2 57 SER H 3.800 . 3.800 2.804 2.461 3.426 . 0 0 "[ . 1 . 2]" 1
725 2 55 THR MG 2 57 SER H 6.000 . 6.000 4.220 3.997 4.490 . 0 0 "[ . 1 . 2]" 1
726 2 55 THR HB 2 58 ASP H 4.600 . 4.600 3.296 2.588 4.068 . 0 0 "[ . 1 . 2]" 1
727 2 55 THR MG 2 58 ASP H 6.000 . 6.000 4.530 4.140 4.742 . 0 0 "[ . 1 . 2]" 1
728 2 1 MET ME 2 56 LEU HB3 4.500 . 4.500 2.669 2.216 2.984 . 0 0 "[ . 1 . 2]" 1
729 2 1 MET ME 2 56 LEU MD2 6.000 . 6.000 3.561 1.813 4.163 . 0 0 "[ . 1 . 2]" 1
730 2 21 ASP H 2 56 LEU H 5.400 . 5.400 3.945 3.021 5.169 . 0 0 "[ . 1 . 2]" 1
731 2 21 ASP H 2 56 LEU HB2 6.000 . 6.000 4.561 3.171 5.906 . 0 0 "[ . 1 . 2]" 1
732 2 56 LEU H 2 56 LEU HG 3.100 . 3.100 2.740 2.390 3.114 0.014 8 0 "[ . 1 . 2]" 1
733 2 56 LEU H 2 56 LEU MD2 5.400 . 5.400 2.864 2.087 4.013 . 0 0 "[ . 1 . 2]" 1
734 2 56 LEU H 2 56 LEU MD1 5.400 . 5.400 3.473 1.917 4.128 . 0 0 "[ . 1 . 2]" 1
735 2 56 LEU HB3 2 56 LEU MD2 3.100 . 3.100 2.499 1.996 2.671 . 0 0 "[ . 1 . 2]" 1
736 2 56 LEU HA 2 56 LEU MD1 4.000 . 4.000 3.424 3.316 3.467 . 0 0 "[ . 1 . 2]" 1
737 2 56 LEU MD1 2 56 LEU MD2 2.500 . 2.500 1.819 1.797 1.828 . 0 0 "[ . 1 . 2]" 1
738 2 56 LEU MD2 2 56 LEU HG 2.500 . 2.500 2.095 2.080 2.101 . 0 0 "[ . 1 . 2]" 1
739 2 56 LEU HA 2 57 SER H 4.500 . 4.500 3.528 3.489 3.571 . 0 0 "[ . 1 . 2]" 1
740 2 56 LEU HG 2 57 SER H 6.000 . 6.000 4.362 3.954 4.936 . 0 0 "[ . 1 . 2]" 1
741 2 56 LEU HB3 2 57 SER H 5.400 . 5.400 3.689 3.189 3.966 . 0 0 "[ . 1 . 2]" 1
742 2 56 LEU MD2 2 57 SER H 6.000 . 6.000 4.383 4.140 4.999 . 0 0 "[ . 1 . 2]" 1
743 2 56 LEU MD1 2 57 SER H 6.000 . 6.000 4.504 3.752 4.965 . 0 0 "[ . 1 . 2]" 1
744 2 56 LEU HA 2 58 ASP H 5.800 . 5.800 3.895 3.798 3.983 . 0 0 "[ . 1 . 2]" 1
745 2 56 LEU HB2 2 58 ASP H 6.000 . 6.000 4.842 4.492 5.074 . 0 0 "[ . 1 . 2]" 1
746 2 56 LEU HA 2 59 TYR H 5.100 . 5.100 3.301 3.035 3.674 . 0 0 "[ . 1 . 2]" 1
747 2 56 LEU HA 2 59 TYR QD 5.000 . 5.000 3.013 2.241 3.710 . 0 0 "[ . 1 . 2]" 1
748 2 56 LEU HA 2 61 ILE H 6.000 . 6.000 4.037 3.087 5.185 . 0 0 "[ . 1 . 2]" 1
749 2 56 LEU HB3 2 61 ILE H 4.900 . 4.900 3.558 2.825 4.455 . 0 0 "[ . 1 . 2]" 1
750 2 57 SER H 2 57 SER HB2 3.400 . 3.400 2.807 2.291 3.436 0.036 2 0 "[ . 1 . 2]" 1
751 2 57 SER H 2 57 SER HB3 3.600 . 3.600 2.554 2.113 3.075 . 0 0 "[ . 1 . 2]" 1
752 2 57 SER HB2 2 58 ASP H 4.800 . 4.800 4.002 3.475 4.252 . 0 0 "[ . 1 . 2]" 1
753 2 57 SER HB3 2 58 ASP H 4.800 . 4.800 3.248 2.877 4.337 . 0 0 "[ . 1 . 2]" 1
754 2 57 SER HA 2 61 ILE H 4.500 . 4.500 3.591 2.479 4.422 . 0 0 "[ . 1 . 2]" 1
755 2 55 THR H 2 58 ASP H 5.000 . 5.000 4.452 3.984 5.001 0.001 12 0 "[ . 1 . 2]" 1
756 2 55 THR H 2 58 ASP HB3 6.000 . 6.000 4.001 3.097 4.999 . 0 0 "[ . 1 . 2]" 1
757 2 57 SER H 2 58 ASP H 3.800 . 3.800 2.712 2.661 2.769 . 0 0 "[ . 1 . 2]" 1
758 2 58 ASP H 2 58 ASP HB3 3.500 . 3.500 2.966 2.523 3.500 . 0 0 "[ . 1 . 2]" 1
759 2 58 ASP H 2 58 ASP HB2 3.800 . 3.800 2.334 2.173 2.719 . 0 0 "[ . 1 . 2]" 1
760 2 58 ASP H 2 59 TYR H 3.400 . 3.400 2.497 2.293 2.633 . 0 0 "[ . 1 . 2]" 1
761 2 58 ASP HB3 2 59 TYR H 4.000 . 4.000 2.992 2.564 3.548 . 0 0 "[ . 1 . 2]" 1
762 2 58 ASP HB2 2 59 TYR H 5.400 . 5.400 3.526 2.694 3.993 . 0 0 "[ . 1 . 2]" 1
763 2 58 ASP H 2 60 ASN H 5.400 . 5.400 3.796 3.524 4.057 . 0 0 "[ . 1 . 2]" 1
764 2 23 ILE HG13 2 59 TYR QE 4.800 . 4.800 3.280 2.208 4.117 . 0 0 "[ . 1 . 2]" 1
765 2 23 ILE MD 2 59 TYR QE 3.800 . 3.800 2.396 1.951 2.820 . 0 0 "[ . 1 . 2]" 1
766 2 50 LEU MD1 2 59 TYR QE 4.500 . 4.500 2.940 2.723 3.314 . 0 0 "[ . 1 . 2]" 1
767 2 50 LEU MD1 2 59 TYR HB2 6.000 . 6.000 3.576 3.091 4.413 . 0 0 "[ . 1 . 2]" 1
768 2 50 LEU HA 2 59 TYR QE 5.300 . 5.300 2.592 2.132 3.402 . 0 0 "[ . 1 . 2]" 1
769 2 51 GLU H 2 59 TYR QE 5.300 . 5.300 3.630 2.569 4.548 . 0 0 "[ . 1 . 2]" 1
770 2 54 ARG H 2 59 TYR QE 5.600 . 5.600 4.613 4.154 4.964 . 0 0 "[ . 1 . 2]" 1
771 2 54 ARG HB3 2 59 TYR QE 3.600 . 3.600 2.267 1.989 2.730 . 0 0 "[ . 1 . 2]" 1
772 2 54 ARG HB2 2 59 TYR QE 4.500 . 4.500 2.288 1.991 2.910 . 0 0 "[ . 1 . 2]" 1
773 2 57 SER H 2 59 TYR H 6.000 . 6.000 4.139 4.029 4.288 . 0 0 "[ . 1 . 2]" 1
774 2 58 ASP H 2 59 TYR H 3.600 . 3.600 2.485 2.290 2.625 . 0 0 "[ . 1 . 2]" 1
775 2 59 TYR H 2 59 TYR HB2 3.000 . 3.000 2.397 2.122 2.636 . 0 0 "[ . 1 . 2]" 1
776 2 59 TYR HA 2 59 TYR QD 3.300 . 3.300 2.269 1.982 2.941 . 0 0 "[ . 1 . 2]" 1
777 2 59 TYR H 2 60 ASN H 3.000 . 3.000 2.457 2.226 2.565 . 0 0 "[ . 1 . 2]" 1
778 2 59 TYR HA 2 60 ASN H 4.700 . 4.700 3.259 3.072 3.408 . 0 0 "[ . 1 . 2]" 1
779 2 59 TYR HB3 2 60 ASN H 6.000 . 6.000 4.201 3.768 4.455 . 0 0 "[ . 1 . 2]" 1
780 2 59 TYR HB2 2 60 ASN H 5.000 . 5.000 3.617 3.236 3.922 . 0 0 "[ . 1 . 2]" 1
781 2 59 TYR HB3 2 61 ILE H 6.000 . 6.000 4.543 3.680 5.860 . 0 0 "[ . 1 . 2]" 1
782 2 59 TYR HB2 2 61 ILE H 5.500 . 5.500 3.782 3.438 4.862 . 0 0 "[ . 1 . 2]" 1
783 2 59 TYR HB2 2 61 ILE MD 3.900 . 3.900 2.445 2.264 2.653 . 0 0 "[ . 1 . 2]" 1
784 2 59 TYR H 2 60 ASN H 3.000 . 3.000 2.465 2.231 2.574 . 0 0 "[ . 1 . 2]" 1
785 2 59 TYR H 2 60 ASN HA 6.000 . 6.000 4.641 4.484 4.838 . 0 0 "[ . 1 . 2]" 1
786 2 60 ASN H 2 60 ASN HA 2.800 . 2.800 2.272 2.270 2.277 . 0 0 "[ . 1 . 2]" 1
787 2 60 ASN H 2 60 ASN HB2 4.400 . 4.400 3.319 2.984 3.721 . 0 0 "[ . 1 . 2]" 1
788 2 60 ASN HA 2 61 ILE H 3.600 . 3.600 2.702 2.373 2.921 . 0 0 "[ . 1 . 2]" 1
789 2 60 ASN HB2 2 61 ILE H 6.000 . 6.000 4.424 4.170 4.672 . 0 0 "[ . 1 . 2]" 1
790 2 1 MET ME 2 61 ILE HB 5.000 . 5.000 2.720 2.123 3.480 . 0 0 "[ . 1 . 2]" 1
791 2 45 PHE QD 2 61 ILE MD 5.200 . 5.200 3.527 3.237 3.858 . 0 0 "[ . 1 . 2]" 1
792 2 56 LEU HA 2 61 ILE MD 3.900 . 3.900 2.111 1.944 2.324 . 0 0 "[ . 1 . 2]" 1
793 2 56 LEU MD2 2 61 ILE MD 3.000 . 3.000 2.085 2.081 2.092 . 0 0 "[ . 1 . 2]" 1
794 2 56 LEU MD1 2 61 ILE HB 4.500 . 4.500 3.089 2.357 3.816 . 0 0 "[ . 1 . 2]" 1
795 2 56 LEU HB3 2 61 ILE HB 6.000 . 6.000 2.109 1.863 2.874 . 0 0 "[ . 1 . 2]" 1
796 2 59 TYR H 2 61 ILE HG13 6.000 . 6.000 3.658 3.209 4.085 . 0 0 "[ . 1 . 2]" 1
797 2 59 TYR H 2 61 ILE MD 4.900 . 4.900 4.040 3.802 4.089 . 0 0 "[ . 1 . 2]" 1
798 2 59 TYR HB3 2 61 ILE MD 4.500 . 4.500 3.165 2.577 3.749 . 0 0 "[ . 1 . 2]" 1
799 2 59 TYR HB3 2 61 ILE HG13 4.300 . 4.300 2.985 2.088 3.990 . 0 0 "[ . 1 . 2]" 1
800 2 60 ASN H 2 61 ILE H 3.400 . 3.400 2.776 2.516 3.191 . 0 0 "[ . 1 . 2]" 1
801 2 60 ASN H 2 61 ILE HB 6.000 . 6.000 5.148 4.933 5.307 . 0 0 "[ . 1 . 2]" 1
802 2 61 ILE H 2 61 ILE HB 3.100 . 3.100 2.629 2.591 2.730 . 0 0 "[ . 1 . 2]" 1
803 2 61 ILE H 2 61 ILE HG13 3.300 . 3.300 2.242 2.060 2.635 . 0 0 "[ . 1 . 2]" 1
804 2 61 ILE H 2 61 ILE MD 5.200 . 5.200 3.657 3.436 4.020 . 0 0 "[ . 1 . 2]" 1
805 2 61 ILE HA 2 61 ILE MG 3.600 . 3.600 2.294 2.180 2.377 . 0 0 "[ . 1 . 2]" 1
806 2 61 ILE HG12 2 61 ILE MG 3.600 . 3.600 2.342 2.186 2.472 . 0 0 "[ . 1 . 2]" 1
807 2 61 ILE HB 2 61 ILE MD 3.100 . 3.100 2.421 2.303 2.492 . 0 0 "[ . 1 . 2]" 1
808 2 61 ILE HA 2 61 ILE HG13 3.900 . 3.900 3.110 2.944 3.194 . 0 0 "[ . 1 . 2]" 1
809 2 61 ILE HA 2 61 ILE HG12 3.400 . 3.400 2.635 2.554 2.761 . 0 0 "[ . 1 . 2]" 1
810 2 61 ILE HA 2 62 GLN H 2.800 . 2.800 2.177 2.142 2.205 . 0 0 "[ . 1 . 2]" 1
811 2 61 ILE HB 2 62 GLN H 6.000 . 6.000 4.302 3.978 4.399 . 0 0 "[ . 1 . 2]" 1
812 2 61 ILE HG13 2 62 GLN H 6.000 . 6.000 5.137 4.997 5.224 . 0 0 "[ . 1 . 2]" 1
813 2 61 ILE MG 2 62 GLN H 3.800 . 3.800 2.999 2.372 3.172 . 0 0 "[ . 1 . 2]" 1
814 2 61 ILE MG 2 65 SER H 5.300 . 5.300 3.905 3.588 4.208 . 0 0 "[ . 1 . 2]" 1
815 2 61 ILE MG 2 65 SER HB3 4.300 . 4.300 2.792 2.232 3.585 . 0 0 "[ . 1 . 2]" 1
816 2 61 ILE MG 2 65 SER HB2 3.500 . 3.500 2.263 1.913 2.817 . 0 0 "[ . 1 . 2]" 1
817 2 61 ILE MD 2 67 LEU MD1 3.300 . 3.300 2.285 2.214 2.297 . 0 0 "[ . 1 . 2]" 1
818 2 61 ILE MD 2 67 LEU MD2 3.500 . 3.500 2.133 1.881 2.428 . 0 0 "[ . 1 . 2]" 1
819 2 61 ILE H 2 62 GLN H 6.000 . 6.000 4.270 4.057 4.520 . 0 0 "[ . 1 . 2]" 1
820 2 62 GLN H 2 62 GLN HG2 3.800 . 3.800 2.769 1.992 3.527 . 0 0 "[ . 1 . 2]" 1
821 2 62 GLN H 2 62 GLN HB3 3.600 . 3.600 2.872 2.152 3.356 . 0 0 "[ . 1 . 2]" 1
822 2 62 GLN HA 2 62 GLN HB3 3.100 . 3.100 2.483 2.315 2.785 . 0 0 "[ . 1 . 2]" 1
823 2 62 GLN HA 2 62 GLN HG2 4.300 . 4.300 2.776 2.316 3.740 . 0 0 "[ . 1 . 2]" 1
824 2 62 GLN HA 2 63 LYS H 3.300 . 3.300 2.685 2.601 2.762 . 0 0 "[ . 1 . 2]" 1
825 2 62 GLN HB3 2 63 LYS H 3.300 . 3.300 2.137 1.984 3.316 0.016 18 0 "[ . 1 . 2]" 1
826 2 2 GLN H 2 63 LYS HA 6.000 . 6.000 4.030 3.644 4.619 . 0 0 "[ . 1 . 2]" 1
827 2 2 GLN H 2 63 LYS QG 5.600 . 5.600 4.864 2.870 4.996 . 0 0 "[ . 1 . 2]" 1
828 2 62 GLN H 2 63 LYS H 6.000 . 6.000 4.459 4.366 4.533 . 0 0 "[ . 1 . 2]" 1
829 2 63 LYS H 2 63 LYS HB3 3.600 . 3.600 2.609 2.489 3.278 . 0 0 "[ . 1 . 2]" 1
830 2 63 LYS H 2 63 LYS QD 4.900 . 4.900 3.080 1.964 4.366 . 0 0 "[ . 1 . 2]" 1
831 2 63 LYS H 2 63 LYS QG 3.800 . 3.800 2.372 2.080 3.391 . 0 0 "[ . 1 . 2]" 1
832 2 63 LYS HB3 2 63 LYS QE 4.600 . 4.600 2.560 1.956 3.645 . 0 0 "[ . 1 . 2]" 1
833 2 63 LYS QE 2 63 LYS QG 3.400 . 3.400 2.278 2.010 2.694 . 0 0 "[ . 1 . 2]" 1
834 2 63 LYS HB3 2 63 LYS QD 3.100 . 3.100 2.333 2.019 2.605 . 0 0 "[ . 1 . 2]" 1
835 2 63 LYS HA 2 63 LYS HB3 3.000 . 3.000 2.501 2.466 2.852 . 0 0 "[ . 1 . 2]" 1
836 2 63 LYS QD 2 63 LYS QG 2.500 . 2.500 2.010 2.001 2.023 . 0 0 "[ . 1 . 2]" 1
837 2 63 LYS HA 2 64 GLU H 3.000 . 3.000 2.246 2.200 2.315 . 0 0 "[ . 1 . 2]" 1
838 2 63 LYS HB2 2 64 GLU H 5.200 . 5.200 2.928 2.654 4.342 . 0 0 "[ . 1 . 2]" 1
839 2 63 LYS QG 2 64 GLU H 5.600 . 5.600 3.733 2.981 3.866 . 0 0 "[ . 1 . 2]" 1
840 2 63 LYS QG 2 65 SER H 6.000 . 6.000 4.785 4.713 5.041 . 0 0 "[ . 1 . 2]" 1
841 2 4 PHE H 2 64 GLU HA 6.000 . 6.000 2.963 2.606 3.482 . 0 0 "[ . 1 . 2]" 1
842 2 4 PHE QE 2 64 GLU HB3 5.800 . 5.800 5.173 5.170 5.177 . 0 0 "[ . 1 . 2]" 1
843 2 4 PHE QE 2 64 GLU QG 5.200 . 5.200 4.132 4.130 4.134 . 0 0 "[ . 1 . 2]" 1
844 2 63 LYS H 2 64 GLU H 6.000 . 6.000 4.607 4.569 4.624 . 0 0 "[ . 1 . 2]" 1
845 2 63 LYS QG 2 64 GLU QG 3.600 . 3.600 3.276 3.102 3.507 . 0 0 "[ . 1 . 2]" 1
846 2 64 GLU H 2 64 GLU QG 4.300 . 4.300 2.845 2.788 2.937 . 0 0 "[ . 1 . 2]" 1
847 2 64 GLU HB2 2 64 GLU QG 2.600 . 2.600 2.323 2.319 2.328 . 0 0 "[ . 1 . 2]" 1
848 2 64 GLU HA 2 64 GLU QG 3.300 . 3.300 2.324 2.289 2.361 . 0 0 "[ . 1 . 2]" 1
849 2 64 GLU H 2 65 SER H 3.800 . 3.800 2.717 2.670 2.814 . 0 0 "[ . 1 . 2]" 1
850 2 64 GLU HA 2 65 SER H 4.100 . 4.100 2.969 2.933 3.000 . 0 0 "[ . 1 . 2]" 1
851 2 64 GLU HB2 2 65 SER H 6.000 . 6.000 4.074 4.036 4.111 . 0 0 "[ . 1 . 2]" 1
852 2 45 PHE QE 2 65 SER HB3 4.900 . 4.900 3.187 2.796 3.649 . 0 0 "[ . 1 . 2]" 1
853 2 62 GLN H 2 65 SER HB3 5.400 . 5.400 3.769 3.208 4.124 . 0 0 "[ . 1 . 2]" 1
854 2 62 GLN H 2 65 SER HB2 5.100 . 5.100 3.790 3.067 4.601 . 0 0 "[ . 1 . 2]" 1
855 2 65 SER H 2 65 SER HB3 3.900 . 3.900 3.560 3.435 3.618 . 0 0 "[ . 1 . 2]" 1
856 2 65 SER H 2 65 SER HB2 3.400 . 3.400 2.399 2.168 3.150 . 0 0 "[ . 1 . 2]" 1
857 2 65 SER H 2 66 THR H 6.000 . 6.000 4.567 4.464 4.626 . 0 0 "[ . 1 . 2]" 1
858 2 65 SER HA 2 66 THR H 3.100 . 3.100 2.385 2.151 2.718 . 0 0 "[ . 1 . 2]" 1
859 2 65 SER HB3 2 66 THR H 4.100 . 4.100 2.656 1.992 3.351 . 0 0 "[ . 1 . 2]" 1
860 2 65 SER HB2 2 66 THR H 5.100 . 5.100 3.736 2.222 4.359 . 0 0 "[ . 1 . 2]" 1
861 2 4 PHE H 2 66 THR HA 4.100 . 4.100 3.779 3.499 4.021 . 0 0 "[ . 1 . 2]" 1
862 2 4 PHE H 2 66 THR MG 5.600 . 5.600 4.670 4.666 4.677 . 0 0 "[ . 1 . 2]" 1
863 2 4 PHE HB2 2 66 THR HA 4.800 . 4.800 3.875 3.684 4.037 . 0 0 "[ . 1 . 2]" 1
864 2 6 LYS H 2 66 THR MG 4.400 . 4.400 3.668 3.664 3.673 . 0 0 "[ . 1 . 2]" 1
865 2 6 LYS HB3 2 66 THR MG 5.400 . 5.400 3.064 2.554 3.315 . 0 0 "[ . 1 . 2]" 1
866 2 6 LYS QD 2 66 THR MG 4.100 . 4.100 2.599 2.185 3.041 . 0 0 "[ . 1 . 2]" 1
867 2 6 LYS HB2 2 66 THR MG 4.100 . 4.100 2.242 2.044 2.468 . 0 0 "[ . 1 . 2]" 1
868 2 66 THR H 2 66 THR HB 3.500 . 3.500 3.302 3.102 3.440 . 0 0 "[ . 1 . 2]" 1
869 2 66 THR HA 2 66 THR MG 3.500 . 3.500 2.145 2.032 2.201 . 0 0 "[ . 1 . 2]" 1
870 2 66 THR HA 2 67 LEU H 3.000 . 3.000 2.177 2.161 2.188 . 0 0 "[ . 1 . 2]" 1
871 2 66 THR HB 2 67 LEU H 6.000 . 6.000 4.011 3.920 4.131 . 0 0 "[ . 1 . 2]" 1
872 2 66 THR MG 2 67 LEU H 4.500 . 4.500 3.686 3.476 3.751 . 0 0 "[ . 1 . 2]" 1
873 2 4 PHE H 2 67 LEU H 5.800 . 5.800 4.186 3.795 4.574 . 0 0 "[ . 1 . 2]" 1
874 2 5 VAL HA 2 67 LEU QB 4.100 . 4.100 2.176 1.982 2.396 . 0 0 "[ . 1 . 2]" 1
875 2 5 VAL MG2 2 67 LEU QB 3.300 . 3.300 2.455 2.452 2.461 . 0 0 "[ . 1 . 2]" 1
876 2 6 LYS H 2 67 LEU H 5.000 . 5.000 2.791 2.575 3.103 . 0 0 "[ . 1 . 2]" 1
877 2 45 PHE QD 2 67 LEU HG 6.000 . 6.000 4.490 4.233 4.893 . 0 0 "[ . 1 . 2]" 1
878 2 50 LEU MD2 2 67 LEU HG 5.200 . 5.200 4.329 4.215 4.343 . 0 0 "[ . 1 . 2]" 1
879 2 50 LEU MD1 2 67 LEU MD2 4.500 . 4.500 3.108 2.996 3.125 . 0 0 "[ . 1 . 2]" 1
880 2 65 SER HB2 2 67 LEU MD2 5.000 . 5.000 4.070 3.505 4.168 . 0 0 "[ . 1 . 2]" 1
881 2 66 THR H 2 67 LEU H 6.000 . 6.000 4.147 3.932 4.322 . 0 0 "[ . 1 . 2]" 1
882 2 67 LEU H 2 67 LEU HG 4.500 . 4.500 3.050 2.553 3.290 . 0 0 "[ . 1 . 2]" 1
883 2 67 LEU H 2 67 LEU QB 3.500 . 3.500 2.284 2.137 2.517 . 0 0 "[ . 1 . 2]" 1
884 2 67 LEU H 2 67 LEU QD 4.300 . 4.300 3.423 3.008 3.574 . 0 0 "[ . 1 . 2]" 1
885 2 67 LEU HA 2 67 LEU MD2 4.100 . 4.100 1.935 1.888 2.006 . 0 0 "[ . 1 . 2]" 1
886 2 67 LEU HA 2 67 LEU QD 3.900 . 3.900 1.929 1.882 1.999 . 0 0 "[ . 1 . 2]" 1
887 2 67 LEU HA 2 67 LEU HG 3.600 . 3.600 3.079 2.965 3.392 . 0 0 "[ . 1 . 2]" 1
888 2 67 LEU QB 2 67 LEU HG 2.500 . 2.500 2.282 2.269 2.302 . 0 0 "[ . 1 . 2]" 1
889 2 67 LEU HA 2 68 HIS H 3.100 . 3.100 2.144 2.132 2.204 . 0 0 "[ . 1 . 2]" 1
890 2 67 LEU QB 2 68 HIS H 3.800 . 3.800 3.345 3.103 3.393 . 0 0 "[ . 1 . 2]" 1
891 2 6 LYS H 2 68 HIS HA 4.000 . 4.000 3.854 3.373 4.014 0.014 18 0 "[ . 1 . 2]" 1
892 2 44 ILE H 2 68 HIS HB2 5.800 . 5.800 2.982 2.691 4.078 . 0 0 "[ . 1 . 2]" 1
893 2 44 ILE MG 2 68 HIS HB2 5.600 . 5.600 3.647 3.348 4.257 . 0 0 "[ . 1 . 2]" 1
894 2 68 HIS H 2 68 HIS HB2 3.400 . 3.400 2.474 2.169 2.716 . 0 0 "[ . 1 . 2]" 1
895 2 68 HIS HA 2 69 LEU H 2.800 . 2.800 2.160 2.139 2.212 . 0 0 "[ . 1 . 2]" 1
896 2 68 HIS HB3 2 69 LEU H 4.800 . 4.800 3.438 3.063 4.039 . 0 0 "[ . 1 . 2]" 1
897 2 68 HIS HB2 2 69 LEU H 6.000 . 6.000 4.253 3.934 4.546 . 0 0 "[ . 1 . 2]" 1
898 2 5 VAL MG1 2 69 LEU HB2 3.100 . 3.100 2.155 2.026 2.300 . 0 0 "[ . 1 . 2]" 1
899 2 5 VAL MG1 2 69 LEU HB3 4.100 . 4.100 3.416 3.368 3.428 . 0 0 "[ . 1 . 2]" 1
900 2 7 THR HA 2 69 LEU HB3 3.900 . 3.900 1.987 1.967 2.042 . 0 0 "[ . 1 . 2]" 1
901 2 7 THR MG 2 69 LEU HB3 3.300 . 3.300 2.257 1.943 2.534 . 0 0 "[ . 1 . 2]" 1
902 2 7 THR MG 2 69 LEU MD2 3.400 . 3.400 2.343 2.243 2.359 . 0 0 "[ . 1 . 2]" 1
903 2 7 THR HA 2 69 LEU HB2 6.000 . 6.000 3.051 2.799 3.286 . 0 0 "[ . 1 . 2]" 1
904 2 8 LEU H 2 69 LEU HB3 6.000 . 6.000 3.674 3.522 4.120 . 0 0 "[ . 1 . 2]" 1
905 2 44 ILE H 2 69 LEU HA 5.100 . 5.100 3.712 3.432 3.859 . 0 0 "[ . 1 . 2]" 1
906 2 69 LEU H 2 69 LEU HB3 3.300 . 3.300 2.779 2.595 2.903 . 0 0 "[ . 1 . 2]" 1
907 2 69 LEU H 2 69 LEU HB2 3.900 . 3.900 2.667 2.433 2.992 . 0 0 "[ . 1 . 2]" 1
908 2 69 LEU H 2 69 LEU MD2 5.400 . 5.400 4.243 4.011 4.340 . 0 0 "[ . 1 . 2]" 1
909 2 69 LEU HB3 2 69 LEU HG 3.100 . 3.100 2.972 2.960 2.995 . 0 0 "[ . 1 . 2]" 1
910 2 69 LEU HA 2 69 LEU MD2 3.800 . 3.800 3.143 2.888 3.183 . 0 0 "[ . 1 . 2]" 1
911 2 69 LEU HB2 2 69 LEU HG 3.100 . 3.100 2.658 2.592 2.689 . 0 0 "[ . 1 . 2]" 1
912 2 69 LEU HB2 2 69 LEU MD2 3.600 . 3.600 3.083 3.068 3.112 . 0 0 "[ . 1 . 2]" 1
913 2 69 LEU HA 2 70 VAL H 3.000 . 3.000 2.249 2.179 2.308 . 0 0 "[ . 1 . 2]" 1
914 2 69 LEU HG 2 70 VAL H 5.000 . 5.000 2.637 2.527 3.032 . 0 0 "[ . 1 . 2]" 1
915 2 69 LEU HB2 2 70 VAL H 6.000 . 6.000 4.156 4.094 4.266 . 0 0 "[ . 1 . 2]" 1
916 2 69 LEU MD1 2 71 LEU MD2 4.100 . 4.100 2.852 2.846 2.862 . 0 0 "[ . 1 . 2]" 1
917 2 69 LEU HG 2 71 LEU MD2 4.700 . 4.700 3.927 3.917 3.944 . 0 0 "[ . 1 . 2]" 1
918 2 70 VAL H 2 70 VAL HB 3.900 . 3.900 2.788 2.676 2.863 . 0 0 "[ . 1 . 2]" 1
919 2 70 VAL H 2 70 VAL MG2 4.500 . 4.500 2.717 2.542 2.919 . 0 0 "[ . 1 . 2]" 1
920 2 70 VAL HA 2 70 VAL MG2 3.300 . 3.300 2.440 2.354 2.517 . 0 0 "[ . 1 . 2]" 1
921 2 70 VAL HA 2 70 VAL MG1 3.300 . 3.300 2.345 2.207 2.389 . 0 0 "[ . 1 . 2]" 1
922 2 70 VAL H 2 71 LEU H 6.000 . 6.000 3.871 3.762 4.042 . 0 0 "[ . 1 . 2]" 1
923 2 70 VAL HA 2 71 LEU H 2.900 . 2.900 2.215 2.193 2.224 . 0 0 "[ . 1 . 2]" 1
924 2 70 VAL H 2 72 ARG H 6.000 . 6.000 5.861 5.593 6.012 0.012 7 0 "[ . 1 . 2]" 1
925 2 71 LEU H 2 71 LEU HB3 3.500 . 3.500 2.413 1.939 3.246 . 0 0 "[ . 1 . 2]" 1
926 2 71 LEU H 2 71 LEU HB2 3.900 . 3.900 2.448 2.065 2.702 . 0 0 "[ . 1 . 2]" 1
927 2 71 LEU HA 2 71 LEU HB3 3.000 . 3.000 2.470 2.278 2.810 . 0 0 "[ . 1 . 2]" 1
928 2 71 LEU HA 2 72 ARG H 2.800 . 2.800 2.148 2.140 2.172 . 0 0 "[ . 1 . 2]" 1
929 2 71 LEU HB3 2 72 ARG H 4.500 . 4.500 3.595 3.317 3.883 . 0 0 "[ . 1 . 2]" 1
930 2 40 GLN HA 2 72 ARG HB3 3.800 . 3.800 3.290 2.880 3.790 . 0 0 "[ . 1 . 2]" 1
931 2 40 GLN HA 2 72 ARG QD 4.700 . 4.700 3.605 2.894 4.187 . 0 0 "[ . 1 . 2]" 1
932 2 40 GLN HA 2 72 ARG HB2 4.300 . 4.300 4.026 3.652 4.313 0.013 7 0 "[ . 1 . 2]" 1
933 2 71 LEU H 2 72 ARG H 6.000 . 6.000 4.417 4.305 4.515 . 0 0 "[ . 1 . 2]" 1
934 2 72 ARG H 2 72 ARG QD 6.000 . 6.000 4.372 3.726 4.597 . 0 0 "[ . 1 . 2]" 1
935 2 72 ARG H 2 72 ARG HB2 3.600 . 3.600 2.476 2.202 3.593 . 0 0 "[ . 1 . 2]" 1
936 2 72 ARG HB2 2 72 ARG QD 3.600 . 3.600 2.593 2.000 3.208 . 0 0 "[ . 1 . 2]" 1
937 2 72 ARG HA 2 72 ARG QD 5.100 . 5.100 3.920 3.249 4.151 . 0 0 "[ . 1 . 2]" 1
938 2 72 ARG HA 2 73 LEU H 3.000 . 3.000 2.307 2.141 2.703 . 0 0 "[ . 1 . 2]" 1
939 2 72 ARG QD 2 73 LEU H 6.000 . 6.000 4.348 3.687 5.347 . 0 0 "[ . 1 . 2]" 1
940 2 73 LEU H 2 73 LEU MD1 5.700 . 5.700 3.377 1.987 4.703 . 0 0 "[ . 1 . 2]" 1
941 2 73 LEU H 2 73 LEU MD2 5.100 . 5.100 4.130 3.864 4.247 . 0 0 "[ . 1 . 2]" 1
942 2 73 LEU HB3 2 73 LEU MD2 3.600 . 3.600 2.159 1.973 2.423 . 0 0 "[ . 1 . 2]" 1
943 2 73 LEU HA 2 73 LEU MD1 3.800 . 3.800 2.616 2.053 3.167 . 0 0 "[ . 1 . 2]" 1
944 2 73 LEU HB2 2 73 LEU MD1 2.800 . 2.800 2.201 2.036 2.333 . 0 0 "[ . 1 . 2]" 1
945 2 73 LEU HA 2 74 ARG H 3.100 . 3.100 2.280 2.139 2.622 . 0 0 "[ . 1 . 2]" 1
946 2 73 LEU HB3 2 74 ARG H 4.300 . 4.300 3.460 1.997 4.286 . 0 0 "[ . 1 . 2]" 1
947 2 73 LEU MD1 2 74 ARG H 6.000 . 6.000 3.733 2.593 4.828 . 0 0 "[ . 1 . 2]" 1
948 2 74 ARG H 2 74 ARG HB3 4.300 . 4.300 3.381 2.566 3.883 . 0 0 "[ . 1 . 2]" 1
949 2 74 ARG H 2 74 ARG HB2 3.600 . 3.600 2.728 2.185 3.598 . 0 0 "[ . 1 . 2]" 1
950 2 74 ARG HA 2 75 GLY H 4.000 . 4.000 2.535 2.146 3.571 . 0 0 "[ . 1 . 2]" 1
951 2 74 ARG HB3 2 75 GLY H 6.000 . 6.000 3.206 2.018 4.482 . 0 0 "[ . 1 . 2]" 1
952 2 74 ARG HB2 2 75 GLY H 6.000 . 6.000 3.867 2.788 4.607 . 0 0 "[ . 1 . 2]" 1
953 2 74 ARG QG 2 75 GLY H 6.000 . 6.000 3.636 2.049 4.599 . 0 0 "[ . 1 . 2]" 1
954 2 75 GLY H 2 76 GLY H 5.800 . 5.800 3.436 2.001 4.421 . 0 0 "[ . 1 . 2]" 1
955 2 75 GLY HA2 2 76 GLY H 4.700 . 4.700 2.904 2.140 3.541 . 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 54
_Distance_constraint_stats_list.Viol_count 405
_Distance_constraint_stats_list.Viol_total 89.077
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_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
2 2 GLN 0.180 0.017 5 0 "[ . 1 . 2]"
2 3 ILE 0.516 0.027 20 0 "[ . 1 . 2]"
2 4 PHE 0.251 0.019 11 0 "[ . 1 . 2]"
2 5 VAL 0.552 0.035 3 0 "[ . 1 . 2]"
2 6 LYS 0.122 0.022 4 0 "[ . 1 . 2]"
2 7 THR 0.071 0.012 2 0 "[ . 1 . 2]"
2 11 LYS 0.071 0.012 2 0 "[ . 1 . 2]"
2 13 ILE 0.552 0.035 3 0 "[ . 1 . 2]"
2 15 LEU 0.516 0.027 20 0 "[ . 1 . 2]"
2 23 ILE 0.028 0.008 4 0 "[ . 1 . 2]"
2 24 GLU 0.192 0.017 20 0 "[ . 1 . 2]"
2 25 ASN 0.815 0.059 18 0 "[ . 1 . 2]"
2 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 LYS 0.485 0.028 13 0 "[ . 1 . 2]"
2 28 ALA 0.450 0.019 1 0 "[ . 1 . 2]"
2 29 LYS 0.867 0.059 18 0 "[ . 1 . 2]"
2 30 ILE 0.016 0.007 10 0 "[ . 1 . 2]"
2 31 GLN 0.884 0.028 13 0 "[ . 1 . 2]"
2 32 ASP 0.258 0.019 1 0 "[ . 1 . 2]"
2 33 LYS 0.052 0.007 19 0 "[ . 1 . 2]"
2 34 GLU 0.016 0.007 10 0 "[ . 1 . 2]"
2 35 GLY 0.427 0.026 19 0 "[ . 1 . 2]"
2 40 GLN 0.051 0.011 7 0 "[ . 1 . 2]"
2 42 ARG 0.063 0.007 12 0 "[ . 1 . 2]"
2 43 LEU 0.014 0.003 10 0 "[ . 1 . 2]"
2 44 ILE 0.328 0.025 4 0 "[ . 1 . 2]"
2 45 PHE 0.061 0.008 19 0 "[ . 1 . 2]"
2 48 LYS 0.061 0.008 19 0 "[ . 1 . 2]"
2 50 LEU 0.014 0.003 10 0 "[ . 1 . 2]"
2 64 GLU 0.180 0.017 5 0 "[ . 1 . 2]"
2 65 SER 0.015 0.005 18 0 "[ . 1 . 2]"
2 67 LEU 0.283 0.019 11 0 "[ . 1 . 2]"
2 68 HIS 0.328 0.025 4 0 "[ . 1 . 2]"
2 69 LEU 0.076 0.022 4 0 "[ . 1 . 2]"
2 70 VAL 0.063 0.007 12 0 "[ . 1 . 2]"
2 72 ARG 0.051 0.011 7 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 2 23 ILE O 2 27 LYS H 1.900 . 2.100 1.796 1.714 1.909 . 0 0 "[ . 1 . 2]" 2
2 2 23 ILE O 2 27 LYS N 2.900 2.700 3.100 2.770 2.692 2.883 0.008 4 0 "[ . 1 . 2]" 2
3 2 24 GLU O 2 28 ALA H 1.900 . 2.100 2.030 2.006 2.084 . 0 0 "[ . 1 . 2]" 2
4 2 24 GLU O 2 28 ALA N 2.900 2.700 3.100 2.694 2.683 2.746 0.017 20 0 "[ . 1 . 2]" 2
5 2 25 ASN O 2 29 LYS H 1.900 . 2.100 2.141 2.132 2.159 0.059 18 0 "[ . 1 . 2]" 2
6 2 25 ASN O 2 29 LYS N 2.900 2.700 3.100 3.088 3.068 3.102 0.002 20 0 "[ . 1 . 2]" 2
7 2 26 VAL O 2 30 ILE H 1.900 . 2.100 1.821 1.755 1.977 . 0 0 "[ . 1 . 2]" 2
8 2 26 VAL O 2 30 ILE N 2.900 2.700 3.100 2.796 2.733 2.950 . 0 0 "[ . 1 . 2]" 2
9 2 27 LYS O 2 31 GLN H 1.900 . 2.100 2.010 1.945 2.049 . 0 0 "[ . 1 . 2]" 2
10 2 27 LYS O 2 31 GLN N 2.900 2.700 3.100 2.677 2.672 2.683 0.028 13 0 "[ . 1 . 2]" 2
11 2 28 ALA O 2 32 ASP H 1.900 . 2.100 2.113 2.106 2.119 0.019 1 0 "[ . 1 . 2]" 2
12 2 28 ALA O 2 32 ASP N 2.900 2.700 3.100 3.009 2.968 3.077 . 0 0 "[ . 1 . 2]" 2
13 2 29 LYS O 2 33 LYS H 1.900 . 2.100 2.086 1.876 2.107 0.007 19 0 "[ . 1 . 2]" 2
14 2 29 LYS O 2 33 LYS N 2.900 2.700 3.100 2.779 2.696 2.866 0.004 4 0 "[ . 1 . 2]" 2
15 2 30 ILE O 2 34 GLU H 1.900 . 2.100 2.009 1.811 2.107 0.007 10 0 "[ . 1 . 2]" 2
16 2 30 ILE O 2 34 GLU N 2.900 2.700 3.100 2.842 2.725 2.953 . 0 0 "[ . 1 . 2]" 2
17 2 31 GLN O 2 35 GLY H 1.900 . 2.100 2.110 2.100 2.120 0.020 12 0 "[ . 1 . 2]" 2
18 2 31 GLN O 2 35 GLY N 2.900 2.700 3.100 2.691 2.674 2.722 0.026 19 0 "[ . 1 . 2]" 2
19 2 3 ILE O 2 15 LEU H 1.900 . 2.100 1.736 1.706 1.770 . 0 0 "[ . 1 . 2]" 2
20 2 3 ILE O 2 15 LEU N 2.900 2.700 3.100 2.692 2.683 2.704 0.017 18 0 "[ . 1 . 2]" 2
21 2 5 VAL O 2 13 ILE H 1.900 . 2.100 2.127 2.119 2.135 0.035 3 0 "[ . 1 . 2]" 2
22 2 5 VAL O 2 13 ILE N 2.900 2.700 3.100 3.059 3.054 3.069 . 0 0 "[ . 1 . 2]" 2
23 2 7 THR H 2 11 LYS O 1.900 . 2.100 2.074 1.844 2.112 0.012 2 0 "[ . 1 . 2]" 2
24 2 7 THR N 2 11 LYS O 2.900 2.700 3.100 2.884 2.738 2.986 . 0 0 "[ . 1 . 2]" 2
25 2 5 VAL H 2 13 ILE O 1.900 . 2.100 1.998 1.916 2.104 0.004 14 0 "[ . 1 . 2]" 2
26 2 5 VAL N 2 13 ILE O 2.900 2.700 3.100 2.890 2.789 2.970 . 0 0 "[ . 1 . 2]" 2
27 2 3 ILE H 2 15 LEU O 1.900 . 2.100 2.117 2.112 2.127 0.027 20 0 "[ . 1 . 2]" 2
28 2 3 ILE N 2 15 LEU O 2.900 2.700 3.100 2.940 2.864 3.035 . 0 0 "[ . 1 . 2]" 2
29 2 2 GLN O 2 64 GLU H 1.900 . 2.100 1.972 1.811 2.059 . 0 0 "[ . 1 . 2]" 2
30 2 2 GLN O 2 64 GLU N 2.900 2.700 3.100 2.691 2.683 2.696 0.017 5 0 "[ . 1 . 2]" 2
31 2 4 PHE O 2 67 LEU H 1.900 . 2.100 2.112 2.105 2.119 0.019 11 0 "[ . 1 . 2]" 2
32 2 4 PHE O 2 67 LEU N 2.900 2.700 3.100 3.029 3.007 3.046 . 0 0 "[ . 1 . 2]" 2
33 2 6 LYS O 2 69 LEU H 1.900 . 2.100 1.882 1.731 2.105 0.005 8 0 "[ . 1 . 2]" 2
34 2 6 LYS O 2 69 LEU N 2.900 2.700 3.100 2.704 2.678 2.845 0.022 4 0 "[ . 1 . 2]" 2
35 2 4 PHE H 2 65 SER O 1.900 . 2.100 2.066 1.821 2.105 0.005 18 0 "[ . 1 . 2]" 2
36 2 4 PHE N 2 65 SER O 2.900 2.700 3.100 2.875 2.700 3.024 0.000 12 0 "[ . 1 . 2]" 2
37 2 6 LYS H 2 67 LEU O 1.900 . 2.100 2.038 1.896 2.111 0.011 10 0 "[ . 1 . 2]" 2
38 2 6 LYS N 2 67 LEU O 2.900 2.700 3.100 2.719 2.689 2.785 0.011 10 0 "[ . 1 . 2]" 2
39 2 40 GLN O 2 72 ARG H 1.900 . 2.100 2.071 1.795 2.111 0.011 7 0 "[ . 1 . 2]" 2
40 2 40 GLN O 2 72 ARG N 2.900 2.700 3.100 2.925 2.700 3.019 0.000 12 0 "[ . 1 . 2]" 2
41 2 42 ARG O 2 70 VAL H 1.900 . 2.100 1.966 1.720 2.104 0.004 9 0 "[ . 1 . 2]" 2
42 2 42 ARG O 2 70 VAL N 2.900 2.700 3.100 2.795 2.693 3.025 0.007 9 0 "[ . 1 . 2]" 2
43 2 44 ILE O 2 68 HIS H 1.900 . 2.100 2.111 2.103 2.125 0.025 4 0 "[ . 1 . 2]" 2
44 2 44 ILE O 2 68 HIS N 2.900 2.700 3.100 2.901 2.786 2.983 . 0 0 "[ . 1 . 2]" 2
45 2 44 ILE H 2 68 HIS O 1.900 . 2.100 1.814 1.708 1.923 . 0 0 "[ . 1 . 2]" 2
46 2 44 ILE N 2 68 HIS O 2.900 2.700 3.100 2.708 2.682 2.854 0.018 4 0 "[ . 1 . 2]" 2
47 2 42 ARG H 2 70 VAL O 1.900 . 2.100 2.026 1.802 2.107 0.007 12 0 "[ . 1 . 2]" 2
48 2 42 ARG N 2 70 VAL O 2.900 2.700 3.100 2.888 2.697 3.018 0.003 4 0 "[ . 1 . 2]" 2
49 2 43 LEU O 2 50 LEU H 1.900 . 2.100 2.046 1.819 2.103 0.003 2 0 "[ . 1 . 2]" 2
50 2 43 LEU O 2 50 LEU N 2.900 2.700 3.100 2.880 2.697 3.011 0.003 10 0 "[ . 1 . 2]" 2
51 2 45 PHE O 2 48 LYS H 1.900 . 2.100 2.096 1.988 2.103 0.003 2 0 "[ . 1 . 2]" 2
52 2 45 PHE O 2 48 LYS N 2.900 2.700 3.100 2.889 2.823 2.919 . 0 0 "[ . 1 . 2]" 2
53 2 45 PHE H 2 48 LYS O 1.900 . 2.100 2.090 2.032 2.108 0.008 19 0 "[ . 1 . 2]" 2
54 2 45 PHE N 2 48 LYS O 2.900 2.700 3.100 3.043 2.994 3.069 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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