NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
375135 |
1ev0   |
4237 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ev0
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 2045
_Distance_constraint_stats_list.Viol_count 2727
_Distance_constraint_stats_list.Viol_total 3181.931
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0583
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.329 0.162 19 0 "[ . 1 . 2]"
1 2 SER 1.013 0.126 19 0 "[ . 1 . 2]"
1 3 ASP 2.916 0.162 19 0 "[ . 1 . 2]"
1 4 ALA 2.696 0.136 14 0 "[ . 1 . 2]"
1 5 GLU 0.157 0.021 8 0 "[ . 1 . 2]"
1 6 PRO 1.002 0.079 13 0 "[ . 1 . 2]"
1 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 1.002 0.079 13 0 "[ . 1 . 2]"
1 10 PRO 0.548 0.038 8 0 "[ . 1 . 2]"
1 11 GLN 0.460 0.027 12 0 "[ . 1 . 2]"
1 12 LEU 6.403 0.105 18 0 "[ . 1 . 2]"
1 13 ARG 8.361 0.128 18 0 "[ . 1 . 2]"
1 14 LYS 6.169 0.128 18 0 "[ . 1 . 2]"
1 15 ASP 5.322 0.120 14 0 "[ . 1 . 2]"
1 16 ILE 1.883 0.097 8 0 "[ . 1 . 2]"
1 17 LEU 2.650 0.077 7 0 "[ . 1 . 2]"
1 18 GLU 2.608 0.098 17 0 "[ . 1 . 2]"
1 19 VAL 1.110 0.078 11 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 3.063 0.093 1 0 "[ . 1 . 2]"
1 22 LYS 2.427 0.070 17 0 "[ . 1 . 2]"
1 23 TYR 3.626 0.157 1 0 "[ . 1 . 2]"
1 24 VAL 0.004 0.004 9 0 "[ . 1 . 2]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ILE 2.306 0.117 17 0 "[ . 1 . 2]"
1 27 ASP 0.406 0.025 7 0 "[ . 1 . 2]"
1 28 PRO 2.109 0.099 4 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 3.574 0.099 4 0 "[ . 1 . 2]"
1 31 VAL 0.044 0.027 7 0 "[ . 1 . 2]"
1 32 THR 3.763 0.162 3 0 "[ . 1 . 2]"
1 33 VAL 1.505 0.077 8 0 "[ . 1 . 2]"
1 34 GLN 1.525 0.143 4 0 "[ . 1 . 2]"
1 35 LEU 3.214 0.188 3 0 "[ . 1 . 2]"
1 36 GLU 1.238 0.105 5 0 "[ . 1 . 2]"
1 37 GLN 0.699 0.057 13 0 "[ . 1 . 2]"
1 38 LYS 0.595 0.084 20 0 "[ . 1 . 2]"
1 39 ASP 2.052 0.113 16 0 "[ . 1 . 2]"
1 40 GLY 0.305 0.022 2 0 "[ . 1 . 2]"
1 41 ASP 2.615 0.081 17 0 "[ . 1 . 2]"
1 42 ILE 3.662 0.081 17 0 "[ . 1 . 2]"
1 43 SER 1.237 0.053 4 0 "[ . 1 . 2]"
1 44 ILE 2.000 0.084 20 0 "[ . 1 . 2]"
1 45 LEU 4.224 0.143 4 0 "[ . 1 . 2]"
1 46 GLU 0.093 0.017 14 0 "[ . 1 . 2]"
1 47 LEU 1.673 0.073 7 0 "[ . 1 . 2]"
1 48 ASN 3.863 0.144 12 0 "[ . 1 . 2]"
1 49 VAL 1.173 0.073 7 0 "[ . 1 . 2]"
1 50 THR 0.036 0.021 8 0 "[ . 1 . 2]"
1 51 LEU 3.769 0.136 5 0 "[ . 1 . 2]"
1 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 1.168 0.060 6 0 "[ . 1 . 2]"
1 54 ALA 1.343 0.096 8 0 "[ . 1 . 2]"
1 55 GLU 1.181 0.125 16 0 "[ . 1 . 2]"
1 56 GLU 0.721 0.120 12 0 "[ . 1 . 2]"
1 57 LEU 0.066 0.028 9 0 "[ . 1 . 2]"
1 58 LYS 0.003 0.003 12 0 "[ . 1 . 2]"
2 1 ARG 0.331 0.161 19 0 "[ . 1 . 2]"
2 2 SER 1.007 0.125 19 0 "[ . 1 . 2]"
2 3 ASP 2.921 0.161 19 0 "[ . 1 . 2]"
2 4 ALA 2.691 0.136 8 0 "[ . 1 . 2]"
2 5 GLU 0.159 0.022 8 0 "[ . 1 . 2]"
2 6 PRO 0.997 0.080 13 0 "[ . 1 . 2]"
2 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 0.997 0.080 13 0 "[ . 1 . 2]"
2 10 PRO 0.541 0.040 8 0 "[ . 1 . 2]"
2 11 GLN 0.462 0.028 12 0 "[ . 1 . 2]"
2 12 LEU 6.400 0.105 18 0 "[ . 1 . 2]"
2 13 ARG 8.358 0.128 18 0 "[ . 1 . 2]"
2 14 LYS 6.177 0.128 18 0 "[ . 1 . 2]"
2 15 ASP 5.321 0.119 14 0 "[ . 1 . 2]"
2 16 ILE 1.879 0.097 8 0 "[ . 1 . 2]"
2 17 LEU 2.648 0.076 5 0 "[ . 1 . 2]"
2 18 GLU 2.612 0.098 12 0 "[ . 1 . 2]"
2 19 VAL 1.111 0.078 11 0 "[ . 1 . 2]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 CYS 3.060 0.094 1 0 "[ . 1 . 2]"
2 22 LYS 2.421 0.070 12 0 "[ . 1 . 2]"
2 23 TYR 3.626 0.157 1 0 "[ . 1 . 2]"
2 24 VAL 0.003 0.003 9 0 "[ . 1 . 2]"
2 25 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 ILE 2.308 0.117 17 0 "[ . 1 . 2]"
2 27 ASP 0.405 0.025 12 0 "[ . 1 . 2]"
2 28 PRO 2.113 0.098 4 0 "[ . 1 . 2]"
2 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 MET 3.575 0.098 4 0 "[ . 1 . 2]"
2 31 VAL 0.046 0.028 7 0 "[ . 1 . 2]"
2 32 THR 3.761 0.162 3 0 "[ . 1 . 2]"
2 33 VAL 1.509 0.077 8 0 "[ . 1 . 2]"
2 34 GLN 1.531 0.143 4 0 "[ . 1 . 2]"
2 35 LEU 3.214 0.188 3 0 "[ . 1 . 2]"
2 36 GLU 3.419 0.200 17 0 "[ . 1 . 2]"
2 37 GLN 0.688 0.056 16 0 "[ . 1 . 2]"
2 38 LYS 0.608 0.085 20 0 "[ . 1 . 2]"
2 39 ASP 2.051 0.112 16 0 "[ . 1 . 2]"
2 40 GLY 0.303 0.021 2 0 "[ . 1 . 2]"
2 41 ASP 2.614 0.081 17 0 "[ . 1 . 2]"
2 42 ILE 3.673 0.081 17 0 "[ . 1 . 2]"
2 43 SER 3.391 0.200 17 0 "[ . 1 . 2]"
2 44 ILE 1.985 0.085 20 0 "[ . 1 . 2]"
2 45 LEU 4.240 0.143 4 0 "[ . 1 . 2]"
2 46 GLU 0.093 0.017 14 0 "[ . 1 . 2]"
2 47 LEU 1.675 0.074 7 0 "[ . 1 . 2]"
2 48 ASN 3.857 0.143 6 0 "[ . 1 . 2]"
2 49 VAL 1.172 0.074 7 0 "[ . 1 . 2]"
2 50 THR 0.036 0.021 8 0 "[ . 1 . 2]"
2 51 LEU 3.766 0.135 5 0 "[ . 1 . 2]"
2 52 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLU 1.164 0.058 6 0 "[ . 1 . 2]"
2 54 ALA 1.335 0.097 8 0 "[ . 1 . 2]"
2 55 GLU 1.181 0.125 16 0 "[ . 1 . 2]"
2 56 GLU 0.721 0.120 12 0 "[ . 1 . 2]"
2 57 LEU 0.067 0.028 9 0 "[ . 1 . 2]"
2 58 LYS 0.003 0.003 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ARG HA 1 1 ARG QD 3.150 . 4.500 3.433 1.983 4.081 . 0 0 "[ . 1 . 2]" 1
2 1 1 ARG HB2 1 2 SER H 3.400 . 5.000 4.395 3.505 4.697 . 0 0 "[ . 1 . 2]" 1
3 1 1 ARG HB3 1 2 SER H 3.400 . 5.000 4.208 1.959 4.404 . 0 0 "[ . 1 . 2]" 1
4 1 1 ARG QG 1 2 SER H 3.900 . 6.000 3.908 3.039 4.342 . 0 0 "[ . 1 . 2]" 1
5 1 1 ARG QG 1 2 SER HA 3.900 . 6.000 4.990 4.350 5.250 . 0 0 "[ . 1 . 2]" 1
6 1 1 ARG QG 1 2 SER QB 4.650 . 7.500 5.249 4.403 5.629 . 0 0 "[ . 1 . 2]" 1
7 1 1 ARG HA 1 3 ASP H 2.650 . 3.500 3.335 3.116 3.662 0.162 19 0 "[ . 1 . 2]" 1
8 1 1 ARG QG 1 3 ASP H 3.900 . 6.000 3.120 2.172 3.787 . 0 0 "[ . 1 . 2]" 1
9 1 1 ARG QG 1 3 ASP HA 3.900 . 6.000 5.004 4.531 5.402 . 0 0 "[ . 1 . 2]" 1
10 1 1 ARG QG 1 3 ASP QB 4.400 . 7.000 3.634 2.561 4.556 . 0 0 "[ . 1 . 2]" 1
11 1 1 ARG HA 1 4 ALA MB 4.150 . 6.500 4.445 3.978 4.862 . 0 0 "[ . 1 . 2]" 1
12 1 1 ARG HB2 1 4 ALA MB 4.150 . 6.500 3.623 3.368 3.890 . 0 0 "[ . 1 . 2]" 1
13 1 1 ARG HB3 1 4 ALA MB 4.150 . 6.500 2.673 1.974 4.361 . 0 0 "[ . 1 . 2]" 1
14 1 1 ARG QG 1 4 ALA MB 4.650 . 7.500 2.339 1.780 4.009 0.020 19 0 "[ . 1 . 2]" 1
15 1 2 SER H 1 2 SER HA 2.300 . 2.800 2.819 2.321 2.860 0.060 2 0 "[ . 1 . 2]" 1
16 1 2 SER H 1 2 SER HB2 2.650 . 3.500 2.803 2.565 3.626 0.126 19 0 "[ . 1 . 2]" 1
17 1 2 SER HA 1 2 SER HB2 2.650 . 3.500 3.014 3.008 3.029 . 0 0 "[ . 1 . 2]" 1
18 1 2 SER HA 1 2 SER HB3 2.300 . 2.800 2.375 2.349 2.457 . 0 0 "[ . 1 . 2]" 1
19 1 2 SER H 1 3 ASP H 2.650 . 3.500 2.743 2.625 3.529 0.029 19 0 "[ . 1 . 2]" 1
20 1 2 SER HA 1 3 ASP QB 4.150 . 6.500 5.504 5.453 5.541 . 0 0 "[ . 1 . 2]" 1
21 1 2 SER HB2 1 3 ASP H 3.400 . 5.000 3.074 2.609 3.226 . 0 0 "[ . 1 . 2]" 1
22 1 2 SER HB3 1 3 ASP H 3.400 . 5.000 4.163 3.651 4.240 . 0 0 "[ . 1 . 2]" 1
23 1 2 SER HB2 1 3 ASP HA 3.400 . 5.000 4.254 4.168 4.415 . 0 0 "[ . 1 . 2]" 1
24 1 2 SER HB3 1 3 ASP HA 3.400 . 5.000 4.809 4.448 4.885 . 0 0 "[ . 1 . 2]" 1
25 1 2 SER QB 1 3 ASP QB 4.650 . 7.500 4.447 3.990 4.738 . 0 0 "[ . 1 . 2]" 1
26 1 2 SER HB2 1 4 ALA H 3.650 . 5.500 4.922 4.763 5.030 . 0 0 "[ . 1 . 2]" 1
27 1 2 SER HA 1 4 ALA MB 4.150 . 6.500 4.369 4.277 4.676 . 0 0 "[ . 1 . 2]" 1
28 1 2 SER QB 1 4 ALA MB 4.650 . 7.500 5.489 5.441 5.523 . 0 0 "[ . 1 . 2]" 1
29 1 2 SER HA 1 5 GLU QB 3.900 . 6.000 5.235 4.767 5.341 . 0 0 "[ . 1 . 2]" 1
30 1 2 SER HA 1 5 GLU HG2 3.650 . 5.500 3.780 3.484 3.927 . 0 0 "[ . 1 . 2]" 1
31 1 2 SER HA 1 5 GLU HG3 3.650 . 5.500 3.777 3.208 3.882 . 0 0 "[ . 1 . 2]" 1
32 1 2 SER QB 1 5 GLU H 3.900 . 6.000 5.166 5.086 5.259 . 0 0 "[ . 1 . 2]" 1
33 1 2 SER QB 1 5 GLU QB 4.400 . 7.000 5.427 5.368 5.465 . 0 0 "[ . 1 . 2]" 1
34 1 2 SER QB 1 5 GLU QG 4.400 . 7.000 4.047 3.916 4.151 . 0 0 "[ . 1 . 2]" 1
35 1 2 SER HA 1 6 PRO QD 3.900 . 6.000 5.360 5.079 5.393 . 0 0 "[ . 1 . 2]" 1
36 1 2 SER HA 1 35 LEU QD 4.850 . 7.900 4.719 4.182 5.199 . 0 0 "[ . 1 . 2]" 1
37 1 2 SER QB 1 35 LEU HG 4.150 . 6.500 4.895 4.214 5.507 . 0 0 "[ . 1 . 2]" 1
38 1 2 SER QB 1 35 LEU QD 5.350 . 8.900 2.487 2.059 2.938 . 0 0 "[ . 1 . 2]" 1
39 1 3 ASP H 1 3 ASP HA 2.300 . 2.800 2.921 2.887 2.929 0.129 8 0 "[ . 1 . 2]" 1
40 1 3 ASP H 1 4 ALA H 2.300 . 2.800 2.725 2.701 2.752 . 0 0 "[ . 1 . 2]" 1
41 1 3 ASP H 1 4 ALA MB 4.150 . 6.500 4.129 4.043 4.263 . 0 0 "[ . 1 . 2]" 1
42 1 3 ASP HA 1 4 ALA H 2.650 . 3.500 3.204 3.172 3.314 . 0 0 "[ . 1 . 2]" 1
43 1 3 ASP HA 1 4 ALA MB 3.900 . 6.000 4.835 4.811 4.901 . 0 0 "[ . 1 . 2]" 1
44 1 3 ASP QB 1 4 ALA MB 4.650 . 7.500 4.534 4.312 4.882 . 0 0 "[ . 1 . 2]" 1
45 1 3 ASP QB 1 5 GLU QG 4.400 . 7.000 5.655 5.642 5.667 . 0 0 "[ . 1 . 2]" 1
46 1 3 ASP HA 1 5 GLU HG2 3.400 . 5.000 4.990 4.882 5.021 0.021 8 0 "[ . 1 . 2]" 1
47 1 3 ASP HA 1 5 GLU HG3 3.400 . 5.000 4.825 4.722 5.002 0.002 19 0 "[ . 1 . 2]" 1
48 1 3 ASP HA 1 5 GLU QB 3.900 . 6.000 4.478 4.432 4.526 . 0 0 "[ . 1 . 2]" 1
49 1 3 ASP H 1 5 GLU H 3.400 . 5.000 4.599 4.538 4.634 . 0 0 "[ . 1 . 2]" 1
50 1 3 ASP HA 1 6 PRO HG2 3.400 . 5.000 3.770 3.629 3.861 . 0 0 "[ . 1 . 2]" 1
51 1 3 ASP HA 1 6 PRO HG3 3.400 . 5.000 3.738 3.653 3.807 . 0 0 "[ . 1 . 2]" 1
52 1 3 ASP QB 1 6 PRO HG2 3.900 . 6.000 3.883 3.790 4.024 . 0 0 "[ . 1 . 2]" 1
53 1 3 ASP QB 1 6 PRO HG3 3.900 . 6.000 4.576 4.484 4.718 . 0 0 "[ . 1 . 2]" 1
54 1 3 ASP QB 1 6 PRO QB 4.400 . 7.000 5.470 5.410 5.573 . 0 0 "[ . 1 . 2]" 1
55 1 3 ASP QB 1 10 PRO QG 4.400 . 7.000 2.433 1.976 2.749 . 0 0 "[ . 1 . 2]" 1
56 1 3 ASP HA 1 35 LEU QD 4.100 . 6.400 3.975 3.516 4.389 . 0 0 "[ . 1 . 2]" 1
57 1 3 ASP QB 1 35 LEU QD 4.600 . 7.400 3.693 2.798 4.379 . 0 0 "[ . 1 . 2]" 1
58 1 4 ALA H 1 4 ALA HA 2.300 . 2.800 2.934 2.932 2.936 0.136 14 0 "[ . 1 . 2]" 1
59 1 4 ALA H 1 5 GLU H 2.650 . 3.500 2.338 2.258 2.491 . 0 0 "[ . 1 . 2]" 1
60 1 4 ALA H 1 5 GLU QB 4.150 . 6.500 4.604 4.543 4.678 . 0 0 "[ . 1 . 2]" 1
61 1 4 ALA HA 1 5 GLU H 2.650 . 3.500 3.400 3.291 3.441 . 0 0 "[ . 1 . 2]" 1
62 1 4 ALA HA 1 5 GLU QB 4.150 . 6.500 5.392 5.368 5.424 . 0 0 "[ . 1 . 2]" 1
63 1 4 ALA MB 1 5 GLU HG2 4.150 . 6.500 3.630 3.535 3.701 . 0 0 "[ . 1 . 2]" 1
64 1 4 ALA MB 1 5 GLU HG3 4.150 . 6.500 4.985 4.911 5.099 . 0 0 "[ . 1 . 2]" 1
65 1 4 ALA MB 1 5 GLU HA 4.150 . 6.500 3.952 3.837 4.021 . 0 0 "[ . 1 . 2]" 1
66 1 4 ALA HA 1 6 PRO HD3 3.400 . 5.000 4.663 4.533 4.864 . 0 0 "[ . 1 . 2]" 1
67 1 4 ALA MB 1 6 PRO HD2 4.150 . 6.500 4.233 4.109 4.394 . 0 0 "[ . 1 . 2]" 1
68 1 4 ALA MB 1 6 PRO HD3 4.150 . 6.500 4.969 4.861 5.190 . 0 0 "[ . 1 . 2]" 1
69 1 4 ALA MB 1 7 HIS HA 4.150 . 6.500 4.771 4.617 5.030 . 0 0 "[ . 1 . 2]" 1
70 1 4 ALA MB 1 7 HIS QB 4.650 . 7.500 4.970 4.645 5.274 . 0 0 "[ . 1 . 2]" 1
71 1 4 ALA MB 1 10 PRO QD 4.650 . 7.500 5.580 5.434 5.638 . 0 0 "[ . 1 . 2]" 1
72 1 5 GLU H 1 5 GLU HG2 3.400 . 5.000 2.043 1.969 2.234 . 0 0 "[ . 1 . 2]" 1
73 1 5 GLU H 1 5 GLU HG3 3.400 . 5.000 2.949 2.845 3.196 . 0 0 "[ . 1 . 2]" 1
74 1 5 GLU QB 1 6 PRO HD2 3.150 . 4.500 3.334 3.251 3.359 . 0 0 "[ . 1 . 2]" 1
75 1 5 GLU QB 1 6 PRO HD3 3.150 . 4.500 1.909 1.881 1.928 . 0 0 "[ . 1 . 2]" 1
76 1 5 GLU HG2 1 6 PRO HD2 3.400 . 5.000 4.395 4.272 4.450 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLU HG3 1 6 PRO HD2 3.400 . 5.000 4.826 4.747 4.944 . 0 0 "[ . 1 . 2]" 1
78 1 5 GLU HG2 1 6 PRO HD3 3.400 . 5.000 3.730 3.679 3.782 . 0 0 "[ . 1 . 2]" 1
79 1 5 GLU HG3 1 6 PRO HD3 3.400 . 5.000 3.568 3.468 3.703 . 0 0 "[ . 1 . 2]" 1
80 1 6 PRO HG2 1 7 HIS H 3.400 . 5.000 2.470 2.365 2.510 . 0 0 "[ . 1 . 2]" 1
81 1 6 PRO QG 1 7 HIS HA 3.900 . 6.000 4.326 4.281 4.348 . 0 0 "[ . 1 . 2]" 1
82 1 6 PRO HA 1 8 TYR CG 3.650 . 5.500 4.770 4.688 4.849 . 0 0 "[ . 1 . 2]" 1
83 1 6 PRO HA 1 8 TYR CZ 3.300 . 4.800 3.650 3.468 3.776 . 0 0 "[ . 1 . 2]" 1
84 1 6 PRO QB 1 8 TYR CG 4.150 . 6.500 2.976 2.901 3.172 . 0 0 "[ . 1 . 2]" 1
85 1 6 PRO QB 1 8 TYR CZ 4.150 . 6.500 2.342 2.271 2.588 . 0 0 "[ . 1 . 2]" 1
86 1 6 PRO HG2 1 8 TYR CG 4.400 . 7.000 4.873 4.768 5.115 . 0 0 "[ . 1 . 2]" 1
87 1 6 PRO HG3 1 8 TYR CG 4.400 . 7.000 5.653 5.546 5.894 . 0 0 "[ . 1 . 2]" 1
88 1 6 PRO HG2 1 8 TYR CZ 4.400 . 7.000 4.704 4.606 5.032 . 0 0 "[ . 1 . 2]" 1
89 1 6 PRO HG3 1 8 TYR CZ 4.400 . 7.000 4.535 4.413 4.918 . 0 0 "[ . 1 . 2]" 1
90 1 6 PRO QD 1 8 TYR H 3.900 . 6.000 4.198 4.127 4.342 . 0 0 "[ . 1 . 2]" 1
91 1 6 PRO QB 1 8 TYR H 3.900 . 6.000 2.240 2.225 2.254 . 0 0 "[ . 1 . 2]" 1
92 1 6 PRO HG2 1 8 TYR H 2.650 . 3.500 3.140 3.053 3.322 . 0 0 "[ . 1 . 2]" 1
93 1 6 PRO HG3 1 8 TYR H 3.400 . 5.000 4.511 4.447 4.637 . 0 0 "[ . 1 . 2]" 1
94 1 6 PRO HA 1 9 LEU H 3.400 . 5.000 4.977 4.877 5.027 0.027 16 0 "[ . 1 . 2]" 1
95 1 6 PRO HA 1 9 LEU QD 4.850 . 7.900 5.296 5.016 5.416 . 0 0 "[ . 1 . 2]" 1
96 1 6 PRO HD2 1 9 LEU H 3.400 . 5.000 4.755 4.674 4.836 . 0 0 "[ . 1 . 2]" 1
97 1 6 PRO HD2 1 9 LEU HB2 3.400 . 5.000 4.336 4.227 4.431 . 0 0 "[ . 1 . 2]" 1
98 1 6 PRO HD2 1 9 LEU HB3 3.400 . 5.000 5.047 5.020 5.079 0.079 13 0 "[ . 1 . 2]" 1
99 1 6 PRO HD2 1 9 LEU QD 4.850 . 7.900 5.363 5.223 5.463 . 0 0 "[ . 1 . 2]" 1
100 1 6 PRO HD3 1 9 LEU QD 4.850 . 7.900 5.312 5.162 5.412 . 0 0 "[ . 1 . 2]" 1
101 1 6 PRO QD 1 9 LEU HB2 3.900 . 6.000 3.995 3.904 4.077 . 0 0 "[ . 1 . 2]" 1
102 1 6 PRO QD 1 9 LEU HB3 3.900 . 6.000 4.673 4.649 4.703 . 0 0 "[ . 1 . 2]" 1
103 1 6 PRO QD 1 10 PRO QB 4.400 . 7.000 5.372 5.303 5.406 . 0 0 "[ . 1 . 2]" 1
104 1 6 PRO HD2 1 10 PRO QG 3.900 . 6.000 3.890 3.849 3.917 . 0 0 "[ . 1 . 2]" 1
105 1 6 PRO HD3 1 10 PRO QG 3.900 . 6.000 5.286 5.264 5.309 . 0 0 "[ . 1 . 2]" 1
106 1 7 HIS QB 1 7 HIS HD2 2.650 . 3.500 2.846 2.681 3.055 . 0 0 "[ . 1 . 2]" 1
107 1 7 HIS HA 1 8 TYR H 2.650 . 3.500 3.321 3.276 3.393 . 0 0 "[ . 1 . 2]" 1
108 1 7 HIS HA 1 8 TYR HA 3.400 . 5.000 4.523 4.509 4.543 . 0 0 "[ . 1 . 2]" 1
109 1 7 HIS H 1 8 TYR H 3.400 . 5.000 2.722 2.692 2.768 . 0 0 "[ . 1 . 2]" 1
110 1 7 HIS HA 1 8 TYR CG 4.400 . 7.000 5.795 5.754 5.844 . 0 0 "[ . 1 . 2]" 1
111 1 7 HIS QB 1 8 TYR HB3 3.900 . 6.000 4.281 4.150 5.213 . 0 0 "[ . 1 . 2]" 1
112 1 7 HIS QB 1 8 TYR CG 4.150 . 6.500 4.876 4.722 5.633 . 0 0 "[ . 1 . 2]" 1
113 1 7 HIS QB 1 8 TYR HA 3.900 . 6.000 4.376 4.253 4.938 . 0 0 "[ . 1 . 2]" 1
114 1 7 HIS HA 1 9 LEU QB 3.900 . 6.000 5.389 5.356 5.415 . 0 0 "[ . 1 . 2]" 1
115 1 7 HIS HA 1 10 PRO QG 3.900 . 6.000 3.046 2.942 3.157 . 0 0 "[ . 1 . 2]" 1
116 1 7 HIS HA 1 10 PRO QD 3.900 . 6.000 3.308 3.252 3.362 . 0 0 "[ . 1 . 2]" 1
117 1 7 HIS QB 1 10 PRO QG 4.400 . 7.000 4.833 4.601 4.946 . 0 0 "[ . 1 . 2]" 1
118 1 7 HIS QB 1 10 PRO QD 4.400 . 7.000 4.656 4.557 4.709 . 0 0 "[ . 1 . 2]" 1
119 1 8 TYR H 1 8 TYR HB3 2.650 . 3.500 3.259 3.189 3.336 . 0 0 "[ . 1 . 2]" 1
120 1 8 TYR HA 1 8 TYR HB2 2.300 . 2.800 2.551 2.535 2.583 . 0 0 "[ . 1 . 2]" 1
121 1 8 TYR HA 1 8 TYR HB3 2.300 . 2.800 2.393 2.365 2.410 . 0 0 "[ . 1 . 2]" 1
122 1 8 TYR H 1 9 LEU H 2.650 . 3.500 1.922 1.902 1.963 . 0 0 "[ . 1 . 2]" 1
123 1 8 TYR HB2 1 9 LEU H 3.400 . 5.000 3.676 3.623 3.774 . 0 0 "[ . 1 . 2]" 1
124 1 8 TYR HB3 1 9 LEU H 3.650 . 5.500 4.086 4.042 4.150 . 0 0 "[ . 1 . 2]" 1
125 1 8 TYR HA 1 9 LEU QD 4.850 . 7.900 5.053 4.967 5.110 . 0 0 "[ . 1 . 2]" 1
126 1 8 TYR HB2 1 9 LEU QD 4.850 . 7.900 4.221 4.139 4.356 . 0 0 "[ . 1 . 2]" 1
127 1 8 TYR CG 1 9 LEU HA 3.300 . 4.800 4.487 4.418 4.599 . 0 0 "[ . 1 . 2]" 1
128 1 8 TYR CG 1 9 LEU H 3.300 . 4.800 2.798 2.732 2.914 . 0 0 "[ . 1 . 2]" 1
129 1 8 TYR H 1 9 LEU HB2 3.400 . 5.000 3.629 3.582 3.682 . 0 0 "[ . 1 . 2]" 1
130 1 8 TYR H 1 9 LEU HB3 3.400 . 5.000 4.873 4.762 4.966 . 0 0 "[ . 1 . 2]" 1
131 1 8 TYR CG 1 9 LEU HB2 4.400 . 7.000 4.477 4.400 4.624 . 0 0 "[ . 1 . 2]" 1
132 1 8 TYR CG 1 9 LEU HB3 4.400 . 7.000 5.925 5.848 6.069 . 0 0 "[ . 1 . 2]" 1
133 1 8 TYR CG 1 9 LEU QD 5.100 . 8.400 3.619 3.488 3.719 . 0 0 "[ . 1 . 2]" 1
134 1 8 TYR CZ 1 9 LEU QD 4.750 . 7.700 3.273 3.147 3.381 . 0 0 "[ . 1 . 2]" 1
135 1 8 TYR HA 1 10 PRO QD 3.900 . 6.000 3.456 3.367 3.492 . 0 0 "[ . 1 . 2]" 1
136 1 8 TYR H 1 10 PRO QD 3.900 . 6.000 2.619 2.539 2.783 . 0 0 "[ . 1 . 2]" 1
137 1 8 TYR HA 1 11 GLN H 3.400 . 5.000 3.182 3.137 3.251 . 0 0 "[ . 1 . 2]" 1
138 1 8 TYR HA 1 11 GLN HB2 2.650 . 3.500 2.819 2.750 3.051 . 0 0 "[ . 1 . 2]" 1
139 1 8 TYR HA 1 11 GLN HB3 2.650 . 3.500 2.276 2.048 2.435 . 0 0 "[ . 1 . 2]" 1
140 1 8 TYR HB2 1 11 GLN QG 3.900 . 6.000 4.814 4.527 4.981 . 0 0 "[ . 1 . 2]" 1
141 1 8 TYR HB3 1 11 GLN QG 3.900 . 6.000 5.025 4.690 5.231 . 0 0 "[ . 1 . 2]" 1
142 1 8 TYR HB2 1 11 GLN HB2 3.650 . 5.500 5.078 5.005 5.208 . 0 0 "[ . 1 . 2]" 1
143 1 8 TYR HB2 1 11 GLN HB3 3.650 . 5.500 3.815 3.695 3.932 . 0 0 "[ . 1 . 2]" 1
144 1 8 TYR HB3 1 11 GLN HB2 3.650 . 5.500 5.069 5.006 5.304 . 0 0 "[ . 1 . 2]" 1
145 1 8 TYR HB3 1 11 GLN HB3 3.650 . 5.500 4.338 4.139 4.498 . 0 0 "[ . 1 . 2]" 1
146 1 8 TYR HA 1 11 GLN QG 3.900 . 6.000 3.625 3.418 3.771 . 0 0 "[ . 1 . 2]" 1
147 1 8 TYR HA 1 12 LEU MD1 4.150 . 6.500 3.381 3.289 3.497 . 0 0 "[ . 1 . 2]" 1
148 1 8 TYR HA 1 12 LEU MD2 4.150 . 6.500 3.893 3.780 4.055 . 0 0 "[ . 1 . 2]" 1
149 1 8 TYR HB2 1 12 LEU MD1 4.150 . 6.500 3.080 2.956 3.181 . 0 0 "[ . 1 . 2]" 1
150 1 8 TYR HB3 1 12 LEU MD2 4.150 . 6.500 4.174 3.959 4.346 . 0 0 "[ . 1 . 2]" 1
151 1 8 TYR CG 1 12 LEU H 4.400 . 7.000 6.150 6.028 6.249 . 0 0 "[ . 1 . 2]" 1
152 1 8 TYR CG 1 12 LEU MD1 4.400 . 7.000 4.738 4.619 4.828 . 0 0 "[ . 1 . 2]" 1
153 1 8 TYR CG 1 12 LEU MD2 4.400 . 7.000 3.784 3.645 3.901 . 0 0 "[ . 1 . 2]" 1
154 1 9 LEU H 1 10 PRO QG 3.900 . 6.000 4.191 4.142 4.225 . 0 0 "[ . 1 . 2]" 1
155 1 9 LEU H 1 10 PRO QD 3.900 . 6.000 2.249 2.198 2.281 . 0 0 "[ . 1 . 2]" 1
156 1 9 LEU HB2 1 10 PRO QG 3.900 . 6.000 4.401 4.349 4.478 . 0 0 "[ . 1 . 2]" 1
157 1 9 LEU HB3 1 10 PRO QG 3.900 . 6.000 4.004 3.924 4.090 . 0 0 "[ . 1 . 2]" 1
158 1 9 LEU HB2 1 10 PRO QD 3.150 . 4.500 2.411 2.359 2.485 . 0 0 "[ . 1 . 2]" 1
159 1 9 LEU HB3 1 10 PRO QD 3.150 . 4.500 2.141 2.045 2.224 . 0 0 "[ . 1 . 2]" 1
160 1 9 LEU QD 1 10 PRO QD 5.000 . 8.200 3.489 3.456 3.528 . 0 0 "[ . 1 . 2]" 1
161 1 9 LEU H 1 11 GLN H 3.400 . 5.000 3.913 3.877 3.970 . 0 0 "[ . 1 . 2]" 1
162 1 9 LEU H 1 11 GLN HB3 3.400 . 5.000 4.888 4.692 4.985 . 0 0 "[ . 1 . 2]" 1
163 1 9 LEU H 1 12 LEU H 3.400 . 5.000 4.929 4.888 4.972 . 0 0 "[ . 1 . 2]" 1
164 1 10 PRO HA 1 11 GLN HA 3.400 . 5.000 4.782 4.766 4.798 . 0 0 "[ . 1 . 2]" 1
165 1 10 PRO QG 1 11 GLN H 3.150 . 4.500 3.037 2.987 3.074 . 0 0 "[ . 1 . 2]" 1
166 1 10 PRO QD 1 12 LEU H 3.900 . 6.000 4.313 4.261 4.360 . 0 0 "[ . 1 . 2]" 1
167 1 10 PRO HA 1 13 ARG H 3.400 . 5.000 3.376 3.317 3.472 . 0 0 "[ . 1 . 2]" 1
168 1 10 PRO HA 1 13 ARG HA 3.650 . 5.500 5.417 5.400 5.430 . 0 0 "[ . 1 . 2]" 1
169 1 10 PRO HA 1 13 ARG HB2 3.400 . 5.000 4.481 4.471 4.496 . 0 0 "[ . 1 . 2]" 1
170 1 10 PRO HA 1 13 ARG HB3 2.650 . 3.500 3.527 3.513 3.538 0.038 8 0 "[ . 1 . 2]" 1
171 1 10 PRO HA 1 13 ARG HG2 3.400 . 5.000 1.957 1.943 1.965 . 0 0 "[ . 1 . 2]" 1
172 1 10 PRO HA 1 13 ARG HG3 3.400 . 5.000 3.371 3.352 3.401 . 0 0 "[ . 1 . 2]" 1
173 1 10 PRO HA 1 13 ARG QD 3.150 . 4.500 2.064 1.927 2.270 . 0 0 "[ . 1 . 2]" 1
174 1 10 PRO QB 1 13 ARG QG 4.650 . 7.500 3.393 3.370 3.409 . 0 0 "[ . 1 . 2]" 1
175 1 10 PRO HB2 1 13 ARG QD 3.650 . 5.500 4.124 3.345 4.308 . 0 0 "[ . 1 . 2]" 1
176 1 10 PRO QG 1 13 ARG QG 4.400 . 7.000 4.794 4.767 4.811 . 0 0 "[ . 1 . 2]" 1
177 1 10 PRO QG 1 13 ARG QD 4.650 . 7.500 4.787 4.355 4.957 . 0 0 "[ . 1 . 2]" 1
178 1 10 PRO HA 1 33 VAL QG 4.850 . 7.900 4.242 4.111 4.515 . 0 0 "[ . 1 . 2]" 1
179 1 11 GLN H 1 11 GLN HB2 2.300 . 2.800 2.695 2.646 2.824 0.024 8 0 "[ . 1 . 2]" 1
180 1 11 GLN H 1 11 GLN HB3 2.300 . 2.800 2.429 2.292 2.474 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLN H 1 11 GLN QG 3.900 . 6.000 4.010 3.942 4.033 . 0 0 "[ . 1 . 2]" 1
182 1 11 GLN H 1 12 LEU H 2.300 . 2.800 2.395 2.371 2.429 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLN H 1 12 LEU HA 3.650 . 5.500 5.088 5.071 5.115 . 0 0 "[ . 1 . 2]" 1
184 1 11 GLN H 1 12 LEU QD 4.100 . 6.400 3.217 3.180 3.266 . 0 0 "[ . 1 . 2]" 1
185 1 11 GLN HA 1 12 LEU H 2.650 . 3.500 3.521 3.517 3.527 0.027 12 0 "[ . 1 . 2]" 1
186 1 11 GLN HA 1 12 LEU MD1 4.150 . 6.500 4.122 4.094 4.171 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLN HB2 1 12 LEU H 3.400 . 5.000 3.978 3.933 4.073 . 0 0 "[ . 1 . 2]" 1
188 1 11 GLN HB3 1 12 LEU H 2.650 . 3.500 2.742 2.680 2.816 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLN HB3 1 12 LEU HA 3.400 . 5.000 4.376 4.325 4.543 . 0 0 "[ . 1 . 2]" 1
190 1 11 GLN QG 1 12 LEU HA 3.900 . 6.000 3.601 3.433 3.669 . 0 0 "[ . 1 . 2]" 1
191 1 11 GLN QG 1 12 LEU H 3.900 . 6.000 3.666 3.488 3.750 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLN QG 1 12 LEU MD1 4.650 . 7.500 2.602 2.254 2.712 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLN QG 1 12 LEU MD2 4.650 . 7.500 4.547 4.231 4.651 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLN H 1 13 ARG H 3.400 . 5.000 4.109 4.010 4.315 . 0 0 "[ . 1 . 2]" 1
195 1 11 GLN HA 1 13 ARG H 3.400 . 5.000 4.750 4.625 4.993 . 0 0 "[ . 1 . 2]" 1
196 1 11 GLN HA 1 14 LYS QB 3.900 . 6.000 3.859 3.757 3.965 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLN HA 1 14 LYS HG2 3.400 . 5.000 2.127 1.993 2.285 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLN HA 1 14 LYS HG3 3.400 . 5.000 3.401 3.297 3.509 . 0 0 "[ . 1 . 2]" 1
199 1 11 GLN HA 1 14 LYS QD 3.900 . 6.000 2.437 2.189 2.527 . 0 0 "[ . 1 . 2]" 1
200 1 11 GLN HA 1 14 LYS QE 3.150 . 4.500 2.402 1.953 4.027 . 0 0 "[ . 1 . 2]" 1
201 1 11 GLN H 1 14 LYS QD 3.900 . 6.000 5.136 4.846 5.213 . 0 0 "[ . 1 . 2]" 1
202 1 11 GLN HE21 1 14 LYS QB 3.900 . 6.000 5.346 5.135 5.411 . 0 0 "[ . 1 . 2]" 1
203 1 11 GLN HE22 1 14 LYS QB 3.900 . 6.000 4.999 4.811 5.095 . 0 0 "[ . 1 . 2]" 1
204 1 11 GLN HE21 1 14 LYS QD 3.900 . 6.000 2.920 2.661 3.224 . 0 0 "[ . 1 . 2]" 1
205 1 11 GLN HE22 1 14 LYS QD 3.900 . 6.000 2.181 1.955 2.474 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU H 1 12 LEU HA 2.300 . 2.800 2.882 2.871 2.890 0.090 2 0 "[ . 1 . 2]" 1
207 1 12 LEU H 1 12 LEU HB2 2.300 . 2.800 2.439 2.408 2.462 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU H 1 12 LEU HB3 2.650 . 3.500 3.598 3.589 3.605 0.105 18 0 "[ . 1 . 2]" 1
209 1 12 LEU H 1 12 LEU QD 4.850 . 7.900 2.026 2.004 2.047 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU HA 1 12 LEU HB2 2.650 . 3.500 3.028 3.025 3.029 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU HA 1 12 LEU HB3 2.300 . 2.800 2.499 2.486 2.512 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU HA 1 13 ARG H 2.650 . 3.500 3.580 3.570 3.596 0.096 15 0 "[ . 1 . 2]" 1
213 1 12 LEU H 1 13 ARG HB3 3.400 . 5.000 4.938 4.867 5.005 0.005 10 0 "[ . 1 . 2]" 1
214 1 12 LEU H 1 13 ARG H 2.650 . 3.500 2.602 2.520 2.733 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU HB2 1 13 ARG HA 3.400 . 5.000 4.297 4.273 4.343 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU HB3 1 13 ARG HA 3.400 . 5.000 4.332 4.271 4.379 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU QD 1 13 ARG HA 4.850 . 7.900 5.129 5.115 5.144 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU H 1 14 LYS H 3.400 . 5.000 4.109 4.063 4.153 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU QD 1 14 LYS H 4.850 . 7.900 4.887 4.864 4.909 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU QD 1 15 ASP H 4.850 . 7.900 4.454 4.432 4.484 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU HA 1 15 ASP HA 3.400 . 5.000 5.039 5.022 5.049 0.049 14 0 "[ . 1 . 2]" 1
222 1 12 LEU HA 1 15 ASP H 3.400 . 5.000 3.253 3.225 3.285 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU HA 1 15 ASP HB2 2.650 . 3.500 2.439 2.304 2.633 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU HA 1 15 ASP HB3 3.400 . 5.000 3.914 3.812 4.035 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU QD 1 15 ASP HB2 4.850 . 7.900 3.788 3.652 3.947 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU QD 1 15 ASP HB3 4.850 . 7.900 4.688 4.577 4.806 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU HA 1 16 ILE H 3.400 . 5.000 4.244 4.150 4.414 . 0 0 "[ . 1 . 2]" 1
228 1 13 ARG H 1 13 ARG HB2 2.650 . 3.500 3.621 3.616 3.626 0.126 4 0 "[ . 1 . 2]" 1
229 1 13 ARG H 1 13 ARG HB3 2.300 . 2.800 2.477 2.420 2.516 . 0 0 "[ . 1 . 2]" 1
230 1 13 ARG H 1 13 ARG QG 3.900 . 6.000 2.231 2.146 2.364 . 0 0 "[ . 1 . 2]" 1
231 1 13 ARG H 1 13 ARG QD 3.900 . 6.000 3.727 3.683 3.785 . 0 0 "[ . 1 . 2]" 1
232 1 13 ARG H 1 13 ARG HE 3.650 . 5.500 5.101 4.657 5.413 . 0 0 "[ . 1 . 2]" 1
233 1 13 ARG HA 1 13 ARG HB2 2.300 . 2.800 2.420 2.410 2.433 . 0 0 "[ . 1 . 2]" 1
234 1 13 ARG HA 1 13 ARG HB3 2.300 . 2.800 2.503 2.495 2.511 . 0 0 "[ . 1 . 2]" 1
235 1 13 ARG HA 1 13 ARG QD 3.900 . 6.000 4.275 4.259 4.381 . 0 0 "[ . 1 . 2]" 1
236 1 13 ARG H 1 14 LYS H 2.650 . 3.500 2.814 2.717 2.990 . 0 0 "[ . 1 . 2]" 1
237 1 13 ARG HB3 1 14 LYS HA 3.650 . 5.500 5.623 5.618 5.628 0.128 18 0 "[ . 1 . 2]" 1
238 1 13 ARG HG2 1 14 LYS HA 3.400 . 5.000 4.538 4.494 4.579 . 0 0 "[ . 1 . 2]" 1
239 1 13 ARG HG3 1 14 LYS HA 3.400 . 5.000 3.257 3.238 3.271 . 0 0 "[ . 1 . 2]" 1
240 1 13 ARG QD 1 14 LYS H 3.900 . 6.000 4.051 3.934 4.097 . 0 0 "[ . 1 . 2]" 1
241 1 13 ARG HA 1 16 ILE H 3.400 . 5.000 3.379 3.322 3.477 . 0 0 "[ . 1 . 2]" 1
242 1 13 ARG HA 1 16 ILE HB 2.650 . 3.500 3.566 3.516 3.597 0.097 8 0 "[ . 1 . 2]" 1
243 1 13 ARG HA 1 16 ILE QG 3.900 . 6.000 5.106 5.001 5.157 . 0 0 "[ . 1 . 2]" 1
244 1 13 ARG HA 1 16 ILE MD 4.150 . 6.500 4.439 4.068 5.246 . 0 0 "[ . 1 . 2]" 1
245 1 13 ARG HA 1 17 LEU H 3.400 . 5.000 4.542 4.488 4.617 . 0 0 "[ . 1 . 2]" 1
246 1 13 ARG HA 1 33 VAL MG1 4.150 . 6.500 5.268 5.211 5.319 . 0 0 "[ . 1 . 2]" 1
247 1 13 ARG HA 1 33 VAL MG2 4.150 . 6.500 5.083 4.957 5.160 . 0 0 "[ . 1 . 2]" 1
248 1 13 ARG HB2 1 33 VAL QG 4.100 . 6.400 2.893 2.814 2.956 . 0 0 "[ . 1 . 2]" 1
249 1 13 ARG HB3 1 33 VAL QG 4.850 . 7.900 3.366 3.241 3.471 . 0 0 "[ . 1 . 2]" 1
250 1 13 ARG HG2 1 33 VAL QG 4.850 . 7.900 4.103 4.023 4.271 . 0 0 "[ . 1 . 2]" 1
251 1 13 ARG HG3 1 33 VAL QG 4.850 . 7.900 3.579 3.512 3.713 . 0 0 "[ . 1 . 2]" 1
252 1 13 ARG QD 1 33 VAL HB 3.900 . 6.000 3.837 3.657 4.544 . 0 0 "[ . 1 . 2]" 1
253 1 13 ARG QD 1 33 VAL MG1 3.900 . 6.000 2.027 1.901 2.474 . 0 0 "[ . 1 . 2]" 1
254 1 13 ARG QD 1 33 VAL MG2 3.900 . 6.000 2.242 1.964 3.285 . 0 0 "[ . 1 . 2]" 1
255 1 13 ARG HE 1 33 VAL MG1 4.150 . 6.500 3.971 3.038 4.399 . 0 0 "[ . 1 . 2]" 1
256 1 13 ARG HE 1 33 VAL MG2 4.150 . 6.500 4.053 1.983 4.599 . 0 0 "[ . 1 . 2]" 1
257 1 14 LYS H 1 14 LYS HA 2.300 . 2.800 2.851 2.848 2.855 0.055 8 0 "[ . 1 . 2]" 1
258 1 14 LYS H 1 14 LYS HB2 2.650 . 3.500 3.618 3.612 3.624 0.124 14 0 "[ . 1 . 2]" 1
259 1 14 LYS H 1 14 LYS HB3 2.650 . 3.500 2.551 2.508 2.596 . 0 0 "[ . 1 . 2]" 1
260 1 14 LYS H 1 14 LYS QG 3.900 . 6.000 2.155 2.077 2.294 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS H 1 14 LYS QE 3.900 . 6.000 3.777 3.314 5.099 . 0 0 "[ . 1 . 2]" 1
262 1 14 LYS H 1 15 ASP H 2.650 . 3.500 2.567 2.544 2.590 . 0 0 "[ . 1 . 2]" 1
263 1 14 LYS HA 1 14 LYS HB2 2.650 . 3.500 2.438 2.418 2.458 . 0 0 "[ . 1 . 2]" 1
264 1 14 LYS HA 1 14 LYS HB3 2.650 . 3.500 2.495 2.471 2.517 . 0 0 "[ . 1 . 2]" 1
265 1 14 LYS HA 1 14 LYS QD 3.900 . 6.000 4.417 4.319 4.477 . 0 0 "[ . 1 . 2]" 1
266 1 14 LYS HA 1 14 LYS QE 3.900 . 6.000 4.415 4.236 5.142 . 0 0 "[ . 1 . 2]" 1
267 1 14 LYS HA 1 15 ASP HA 3.400 . 5.000 4.813 4.800 4.825 . 0 0 "[ . 1 . 2]" 1
268 1 14 LYS HB2 1 15 ASP H 3.400 . 5.000 3.977 3.925 4.016 . 0 0 "[ . 1 . 2]" 1
269 1 14 LYS HB3 1 15 ASP H 3.400 . 5.000 4.019 3.975 4.089 . 0 0 "[ . 1 . 2]" 1
270 1 14 LYS HG2 1 15 ASP H 3.400 . 5.000 2.746 2.584 2.874 . 0 0 "[ . 1 . 2]" 1
271 1 14 LYS HG3 1 15 ASP H 3.400 . 5.000 2.356 2.257 2.497 . 0 0 "[ . 1 . 2]" 1
272 1 14 LYS QD 1 15 ASP H 3.900 . 6.000 4.196 4.094 4.332 . 0 0 "[ . 1 . 2]" 1
273 1 14 LYS QB 1 15 ASP HA 3.900 . 6.000 4.495 4.452 4.539 . 0 0 "[ . 1 . 2]" 1
274 1 14 LYS HG2 1 15 ASP HA 3.400 . 5.000 4.740 4.575 4.863 . 0 0 "[ . 1 . 2]" 1
275 1 14 LYS HG3 1 15 ASP HA 3.400 . 5.000 3.252 3.196 3.306 . 0 0 "[ . 1 . 2]" 1
276 1 14 LYS QD 1 15 ASP HA 3.900 . 6.000 4.817 4.661 5.204 . 0 0 "[ . 1 . 2]" 1
277 1 14 LYS HA 1 15 ASP H 2.650 . 3.500 3.516 3.511 3.526 0.026 14 0 "[ . 1 . 2]" 1
278 1 14 LYS HA 1 16 ILE H 3.400 . 5.000 4.489 4.401 4.533 . 0 0 "[ . 1 . 2]" 1
279 1 14 LYS HA 1 17 LEU QD 5.350 . 8.900 1.981 1.852 2.070 . 0 0 "[ . 1 . 2]" 1
280 1 14 LYS HA 1 18 GLU QG 3.900 . 6.000 4.296 4.223 4.404 . 0 0 "[ . 1 . 2]" 1
281 1 14 LYS HG2 1 18 GLU QG 3.900 . 6.000 5.426 5.366 5.473 . 0 0 "[ . 1 . 2]" 1
282 1 14 LYS HG3 1 18 GLU QG 3.900 . 6.000 3.970 3.890 4.036 . 0 0 "[ . 1 . 2]" 1
283 1 14 LYS QD 1 18 GLU HG2 3.900 . 6.000 5.189 4.911 5.377 . 0 0 "[ . 1 . 2]" 1
284 1 14 LYS QD 1 18 GLU HG3 3.900 . 6.000 5.022 4.722 5.409 . 0 0 "[ . 1 . 2]" 1
285 1 15 ASP H 1 15 ASP HA 2.300 . 2.800 2.857 2.850 2.864 0.064 3 0 "[ . 1 . 2]" 1
286 1 15 ASP H 1 15 ASP HB2 2.650 . 3.500 2.398 2.307 2.491 . 0 0 "[ . 1 . 2]" 1
287 1 15 ASP H 1 15 ASP HB3 2.650 . 3.500 3.592 3.569 3.620 0.120 14 0 "[ . 1 . 2]" 1
288 1 15 ASP HA 1 15 ASP HB2 2.650 . 3.500 3.022 3.007 3.032 . 0 0 "[ . 1 . 2]" 1
289 1 15 ASP HA 1 15 ASP HB3 2.300 . 2.800 2.536 2.493 2.590 . 0 0 "[ . 1 . 2]" 1
290 1 15 ASP H 1 16 ILE H 2.650 . 3.500 2.721 2.677 2.779 . 0 0 "[ . 1 . 2]" 1
291 1 15 ASP HA 1 16 ILE HA 3.650 . 5.500 4.812 4.791 4.829 . 0 0 "[ . 1 . 2]" 1
292 1 15 ASP HB2 1 16 ILE H 2.650 . 3.500 2.563 2.525 2.641 . 0 0 "[ . 1 . 2]" 1
293 1 15 ASP HB3 1 16 ILE H 2.650 . 3.500 3.461 3.378 3.536 0.036 10 0 "[ . 1 . 2]" 1
294 1 15 ASP HB2 1 16 ILE HA 3.400 . 5.000 4.465 4.389 4.587 . 0 0 "[ . 1 . 2]" 1
295 1 15 ASP HB3 1 16 ILE HA 3.400 . 5.000 4.311 4.214 4.406 . 0 0 "[ . 1 . 2]" 1
296 1 15 ASP H 1 17 LEU H 3.400 . 5.000 3.943 3.885 4.051 . 0 0 "[ . 1 . 2]" 1
297 1 15 ASP HA 1 17 LEU H 3.400 . 5.000 4.089 4.038 4.232 . 0 0 "[ . 1 . 2]" 1
298 1 15 ASP HA 1 18 GLU H 2.650 . 3.500 3.317 3.229 3.415 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASP HA 1 18 GLU QB 3.150 . 4.500 3.142 2.981 3.302 . 0 0 "[ . 1 . 2]" 1
300 1 15 ASP HA 1 18 GLU HG2 2.650 . 3.500 3.276 2.893 3.576 0.076 20 0 "[ . 1 . 2]" 1
301 1 15 ASP HA 1 18 GLU HG3 2.650 . 3.500 2.933 1.985 3.510 0.010 14 0 "[ . 1 . 2]" 1
302 1 15 ASP QB 1 18 GLU H 3.900 . 6.000 4.773 4.677 4.845 . 0 0 "[ . 1 . 2]" 1
303 1 15 ASP HA 1 19 VAL H 3.400 . 5.000 3.903 3.810 3.964 . 0 0 "[ . 1 . 2]" 1
304 1 15 ASP HA 1 19 VAL QG 4.850 . 7.900 3.556 3.500 3.612 . 0 0 "[ . 1 . 2]" 1
305 1 15 ASP HB2 1 19 VAL H 3.650 . 5.500 5.507 5.411 5.578 0.078 11 0 "[ . 1 . 2]" 1
306 1 15 ASP HB3 1 19 VAL H 3.400 . 5.000 4.656 4.620 4.689 . 0 0 "[ . 1 . 2]" 1
307 1 16 ILE H 1 16 ILE HB 2.300 . 2.800 2.428 2.308 2.492 . 0 0 "[ . 1 . 2]" 1
308 1 16 ILE H 1 16 ILE QG 3.150 . 4.500 4.020 3.975 4.105 . 0 0 "[ . 1 . 2]" 1
309 1 16 ILE HA 1 16 ILE HB 2.650 . 3.500 2.557 2.527 2.628 . 0 0 "[ . 1 . 2]" 1
310 1 16 ILE HA 1 16 ILE HG12 2.650 . 3.500 3.167 2.974 3.568 0.068 15 0 "[ . 1 . 2]" 1
311 1 16 ILE HA 1 16 ILE HG13 2.650 . 3.500 2.416 2.320 2.641 . 0 0 "[ . 1 . 2]" 1
312 1 16 ILE H 1 17 LEU H 2.650 . 3.500 2.691 2.624 2.756 . 0 0 "[ . 1 . 2]" 1
313 1 16 ILE HA 1 18 GLU H 3.400 . 5.000 4.452 4.303 4.560 . 0 0 "[ . 1 . 2]" 1
314 1 16 ILE H 1 18 GLU H 3.400 . 5.000 4.351 4.259 4.436 . 0 0 "[ . 1 . 2]" 1
315 1 16 ILE HA 1 19 VAL H 2.650 . 3.500 3.168 3.037 3.264 . 0 0 "[ . 1 . 2]" 1
316 1 16 ILE HA 1 19 VAL HB 2.650 . 3.500 2.059 1.992 2.232 . 0 0 "[ . 1 . 2]" 1
317 1 16 ILE HA 1 19 VAL MG1 3.400 . 5.000 3.435 3.371 3.588 . 0 0 "[ . 1 . 2]" 1
318 1 16 ILE HA 1 19 VAL MG2 3.400 . 5.000 2.146 1.968 2.425 . 0 0 "[ . 1 . 2]" 1
319 1 16 ILE HB 1 19 VAL QG 4.100 . 6.400 3.912 3.789 4.093 . 0 0 "[ . 1 . 2]" 1
320 1 16 ILE HB 1 19 VAL HB 3.400 . 5.000 4.520 4.461 4.660 . 0 0 "[ . 1 . 2]" 1
321 1 16 ILE QG 1 19 VAL HB 3.900 . 6.000 3.130 2.997 3.328 . 0 0 "[ . 1 . 2]" 1
322 1 16 ILE QG 1 19 VAL MG1 3.900 . 6.000 3.655 3.451 3.910 . 0 0 "[ . 1 . 2]" 1
323 1 16 ILE QG 1 19 VAL MG2 3.900 . 6.000 3.796 3.539 4.159 . 0 0 "[ . 1 . 2]" 1
324 1 16 ILE MG 1 19 VAL HB 4.150 . 6.500 4.574 4.422 4.757 . 0 0 "[ . 1 . 2]" 1
325 1 16 ILE MD 1 19 VAL HB 4.150 . 6.500 4.126 2.561 4.881 . 0 0 "[ . 1 . 2]" 1
326 1 16 ILE HA 1 20 ILE QG 3.900 . 6.000 3.787 3.715 3.884 . 0 0 "[ . 1 . 2]" 1
327 1 17 LEU H 1 17 LEU HA 2.300 . 2.800 2.869 2.850 2.877 0.077 7 0 "[ . 1 . 2]" 1
328 1 17 LEU H 1 17 LEU HB2 2.300 . 2.800 2.285 2.276 2.302 . 0 0 "[ . 1 . 2]" 1
329 1 17 LEU H 1 17 LEU HB3 2.650 . 3.500 3.563 3.558 3.572 0.072 14 0 "[ . 1 . 2]" 1
330 1 17 LEU H 1 17 LEU HG 2.650 . 3.500 2.659 2.570 2.780 . 0 0 "[ . 1 . 2]" 1
331 1 17 LEU H 1 17 LEU QD 4.850 . 7.900 3.201 3.024 3.280 . 0 0 "[ . 1 . 2]" 1
332 1 17 LEU HA 1 17 LEU HB2 2.650 . 3.500 3.015 3.013 3.017 . 0 0 "[ . 1 . 2]" 1
333 1 17 LEU HA 1 17 LEU HB3 2.300 . 2.800 2.605 2.604 2.607 . 0 0 "[ . 1 . 2]" 1
334 1 17 LEU H 1 18 GLU H 2.650 . 3.500 2.631 2.567 2.740 . 0 0 "[ . 1 . 2]" 1
335 1 17 LEU QB 1 18 GLU H 3.150 . 4.500 2.471 2.419 2.530 . 0 0 "[ . 1 . 2]" 1
336 1 17 LEU HB3 1 18 GLU QG 3.900 . 6.000 3.871 3.669 4.087 . 0 0 "[ . 1 . 2]" 1
337 1 17 LEU QD 1 18 GLU QB 5.350 . 8.900 5.431 5.380 5.493 . 0 0 "[ . 1 . 2]" 1
338 1 17 LEU QD 1 18 GLU QG 5.350 . 8.900 4.241 4.103 4.365 . 0 0 "[ . 1 . 2]" 1
339 1 17 LEU H 1 19 VAL H 3.400 . 5.000 3.778 3.736 3.873 . 0 0 "[ . 1 . 2]" 1
340 1 17 LEU HA 1 20 ILE H 3.400 . 5.000 3.707 3.630 3.805 . 0 0 "[ . 1 . 2]" 1
341 1 17 LEU HA 1 20 ILE HB 2.650 . 3.500 3.151 3.059 3.266 . 0 0 "[ . 1 . 2]" 1
342 1 17 LEU HA 1 20 ILE MD 3.400 . 5.000 2.288 2.057 2.477 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU QB 1 21 CYS QB 4.400 . 7.000 4.464 4.311 4.555 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU HA 1 26 ILE MD 3.400 . 5.000 2.938 2.710 3.101 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU HA 1 26 ILE HG12 3.650 . 5.500 5.194 4.979 5.330 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU HA 1 26 ILE HG13 3.650 . 5.500 4.566 4.361 4.700 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU HB2 1 26 ILE MD 4.150 . 6.500 5.145 4.975 5.304 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU HB3 1 26 ILE MD 4.150 . 6.500 4.071 3.898 4.265 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU QD 1 27 ASP HA 4.850 . 7.900 4.509 4.299 4.667 . 0 0 "[ . 1 . 2]" 1
350 1 17 LEU HG 1 28 PRO HA 3.400 . 5.000 4.884 4.743 5.015 0.015 8 0 "[ . 1 . 2]" 1
351 1 17 LEU MD1 1 28 PRO HA 3.050 . 4.300 2.883 2.574 3.302 . 0 0 "[ . 1 . 2]" 1
352 1 17 LEU MD2 1 28 PRO HA 3.050 . 4.300 2.330 2.010 2.546 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU MD1 1 28 PRO QB 3.900 . 6.000 2.683 2.416 3.138 . 0 0 "[ . 1 . 2]" 1
354 1 17 LEU MD2 1 28 PRO QB 3.900 . 6.000 3.278 2.888 3.537 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU MD1 1 28 PRO HG3 4.150 . 6.500 4.657 4.376 5.153 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU MD2 1 28 PRO HG3 4.150 . 6.500 5.043 4.646 5.284 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU QD 1 28 PRO HG2 4.850 . 7.900 4.763 4.707 4.812 . 0 0 "[ . 1 . 2]" 1
358 1 17 LEU QD 1 28 PRO HD2 4.850 . 7.900 4.965 4.836 5.054 . 0 0 "[ . 1 . 2]" 1
359 1 17 LEU QD 1 28 PRO HD3 4.850 . 7.900 4.203 4.029 4.331 . 0 0 "[ . 1 . 2]" 1
360 1 17 LEU HG 1 28 PRO QB 3.900 . 6.000 5.255 5.226 5.302 . 0 0 "[ . 1 . 2]" 1
361 1 17 LEU HG 1 31 VAL QG 4.100 . 6.400 2.906 2.712 3.126 . 0 0 "[ . 1 . 2]" 1
362 1 18 GLU H 1 18 GLU HA 2.300 . 2.800 2.883 2.873 2.898 0.098 17 0 "[ . 1 . 2]" 1
363 1 18 GLU H 1 19 VAL H 2.650 . 3.500 2.486 2.435 2.544 . 0 0 "[ . 1 . 2]" 1
364 1 18 GLU H 1 19 VAL QG 4.850 . 7.900 3.885 3.783 4.000 . 0 0 "[ . 1 . 2]" 1
365 1 18 GLU HA 1 19 VAL H 2.650 . 3.500 3.522 3.517 3.536 0.036 9 0 "[ . 1 . 2]" 1
366 1 18 GLU HA 1 19 VAL QG 4.850 . 7.900 4.731 4.699 4.769 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLU QB 1 19 VAL HA 3.900 . 6.000 3.795 3.779 3.808 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLU QB 1 19 VAL HB 3.900 . 6.000 4.862 4.753 4.968 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLU QB 1 19 VAL MG1 4.650 . 7.500 5.069 5.021 5.093 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU QB 1 19 VAL MG2 4.650 . 7.500 3.055 3.018 3.078 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLU QG 1 19 VAL HA 3.900 . 6.000 5.526 5.402 5.617 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU HG2 1 19 VAL QG 4.850 . 7.900 4.796 4.532 4.969 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLU HG3 1 19 VAL QG 4.850 . 7.900 4.687 4.081 5.054 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLU H 1 20 ILE H 3.400 . 5.000 4.378 4.306 4.437 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU HA 1 21 CYS HA 3.400 . 5.000 4.918 4.855 4.967 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLU HA 1 21 CYS H 2.650 . 3.500 3.291 3.248 3.328 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU HA 1 21 CYS QB 3.900 . 6.000 2.273 2.212 2.325 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLU QB 1 21 CYS QB 3.650 . 5.500 3.553 3.515 3.603 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLU HG2 1 21 CYS QB 3.900 . 6.000 4.881 4.553 5.176 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLU HG3 1 21 CYS QB 3.900 . 6.000 5.508 5.478 5.546 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLU QB 1 22 LYS QB 4.400 . 7.000 5.268 5.135 5.341 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLU QB 1 22 LYS QE 4.400 . 7.000 4.957 4.739 5.124 . 0 0 "[ . 1 . 2]" 1
383 1 19 VAL H 1 19 VAL HB 2.300 . 2.800 2.563 2.496 2.627 . 0 0 "[ . 1 . 2]" 1
384 1 19 VAL HB 1 20 ILE H 2.650 . 3.500 2.286 2.177 2.372 . 0 0 "[ . 1 . 2]" 1
385 1 19 VAL HA 1 20 ILE HA 3.650 . 5.500 4.844 4.824 4.855 . 0 0 "[ . 1 . 2]" 1
386 1 19 VAL HA 1 20 ILE QG 4.150 . 6.500 5.056 5.024 5.082 . 0 0 "[ . 1 . 2]" 1
387 1 19 VAL H 1 20 ILE H 2.650 . 3.500 2.872 2.833 2.914 . 0 0 "[ . 1 . 2]" 1
388 1 19 VAL H 1 21 CYS H 3.650 . 5.500 3.725 3.675 3.781 . 0 0 "[ . 1 . 2]" 1
389 1 19 VAL HB 1 21 CYS H 3.400 . 5.000 4.523 4.444 4.583 . 0 0 "[ . 1 . 2]" 1
390 1 19 VAL H 1 22 LYS H 3.400 . 5.000 4.644 4.590 4.685 . 0 0 "[ . 1 . 2]" 1
391 1 19 VAL HA 1 21 CYS H 3.400 . 5.000 3.884 3.853 3.917 . 0 0 "[ . 1 . 2]" 1
392 1 19 VAL HA 1 21 CYS QB 3.900 . 6.000 4.610 4.575 4.660 . 0 0 "[ . 1 . 2]" 1
393 1 19 VAL HA 1 22 LYS QB 3.150 . 4.500 3.090 2.958 3.197 . 0 0 "[ . 1 . 2]" 1
394 1 19 VAL HA 1 22 LYS QG 3.150 . 4.500 3.132 3.020 3.282 . 0 0 "[ . 1 . 2]" 1
395 1 19 VAL HA 1 22 LYS QD 2.800 . 3.800 1.986 1.851 2.139 . 0 0 "[ . 1 . 2]" 1
396 1 19 VAL HA 1 22 LYS QE 3.150 . 4.500 3.838 3.623 4.017 . 0 0 "[ . 1 . 2]" 1
397 1 19 VAL H 1 22 LYS QB 4.150 . 6.500 5.525 5.396 5.603 . 0 0 "[ . 1 . 2]" 1
398 1 19 VAL H 1 22 LYS QG 3.900 . 6.000 4.701 4.595 4.773 . 0 0 "[ . 1 . 2]" 1
399 1 19 VAL HB 1 22 LYS QD 3.900 . 6.000 4.551 4.406 4.729 . 0 0 "[ . 1 . 2]" 1
400 1 19 VAL MG1 1 22 LYS QD 3.900 . 6.000 3.051 2.904 3.182 . 0 0 "[ . 1 . 2]" 1
401 1 19 VAL MG2 1 22 LYS QD 3.900 . 6.000 3.033 2.928 3.193 . 0 0 "[ . 1 . 2]" 1
402 1 19 VAL QG 1 22 LYS H 4.850 . 7.900 4.189 4.142 4.222 . 0 0 "[ . 1 . 2]" 1
403 1 19 VAL QG 1 22 LYS HB2 4.850 . 7.900 3.627 3.461 3.752 . 0 0 "[ . 1 . 2]" 1
404 1 19 VAL QG 1 22 LYS HB3 4.850 . 7.900 4.847 4.724 4.964 . 0 0 "[ . 1 . 2]" 1
405 1 19 VAL QG 1 22 LYS QG 4.600 . 7.400 4.044 3.978 4.133 . 0 0 "[ . 1 . 2]" 1
406 1 19 VAL QG 1 22 LYS QD 4.250 . 6.700 2.710 2.616 2.840 . 0 0 "[ . 1 . 2]" 1
407 1 19 VAL QG 1 22 LYS QE 4.600 . 7.400 3.681 3.466 3.883 . 0 0 "[ . 1 . 2]" 1
408 1 19 VAL HA 1 23 TYR CG 4.400 . 7.000 5.652 5.575 5.713 . 0 0 "[ . 1 . 2]" 1
409 1 19 VAL HA 1 23 TYR CZ 4.400 . 7.000 5.628 5.565 5.695 . 0 0 "[ . 1 . 2]" 1
410 1 19 VAL HB 1 23 TYR CZ 4.400 . 7.000 6.981 6.771 7.019 0.019 14 0 "[ . 1 . 2]" 1
411 1 19 VAL MG1 1 23 TYR CG 4.050 . 6.300 4.124 4.044 4.191 . 0 0 "[ . 1 . 2]" 1
412 1 19 VAL MG1 1 23 TYR CZ 4.050 . 6.300 3.858 3.712 3.931 . 0 0 "[ . 1 . 2]" 1
413 1 19 VAL MG2 1 23 TYR CZ 5.150 . 8.500 5.834 5.704 5.949 . 0 0 "[ . 1 . 2]" 1
414 1 20 ILE H 1 20 ILE HB 2.300 . 2.800 2.622 2.611 2.640 . 0 0 "[ . 1 . 2]" 1
415 1 20 ILE HB 1 21 CYS H 2.650 . 3.500 3.016 2.971 3.068 . 0 0 "[ . 1 . 2]" 1
416 1 20 ILE MG 1 21 CYS H 4.150 . 6.500 3.821 3.785 3.884 . 0 0 "[ . 1 . 2]" 1
417 1 20 ILE MD 1 21 CYS H 4.150 . 6.500 4.426 4.283 4.520 . 0 0 "[ . 1 . 2]" 1
418 1 20 ILE MG 1 21 CYS HA 4.150 . 6.500 3.786 3.744 3.893 . 0 0 "[ . 1 . 2]" 1
419 1 20 ILE H 1 21 CYS H 2.650 . 3.500 2.691 2.667 2.706 . 0 0 "[ . 1 . 2]" 1
420 1 20 ILE H 1 21 CYS QB 3.900 . 6.000 4.449 4.412 4.472 . 0 0 "[ . 1 . 2]" 1
421 1 20 ILE HA 1 22 LYS H 3.400 . 5.000 4.572 4.529 4.605 . 0 0 "[ . 1 . 2]" 1
422 1 20 ILE H 1 22 LYS H 3.400 . 5.000 4.439 4.414 4.464 . 0 0 "[ . 1 . 2]" 1
423 1 20 ILE MG 1 22 LYS H 4.150 . 6.500 5.335 5.300 5.371 . 0 0 "[ . 1 . 2]" 1
424 1 20 ILE HA 1 23 TYR H 3.400 . 5.000 3.548 3.509 3.600 . 0 0 "[ . 1 . 2]" 1
425 1 20 ILE HA 1 23 TYR HB2 3.400 . 5.000 3.091 2.996 3.179 . 0 0 "[ . 1 . 2]" 1
426 1 20 ILE HA 1 23 TYR HB3 3.400 . 5.000 4.780 4.676 4.865 . 0 0 "[ . 1 . 2]" 1
427 1 20 ILE HB 1 23 TYR H 3.900 . 6.000 5.665 5.621 5.711 . 0 0 "[ . 1 . 2]" 1
428 1 20 ILE MG 1 23 TYR H 4.150 . 6.500 4.615 4.563 4.696 . 0 0 "[ . 1 . 2]" 1
429 1 20 ILE HA 1 23 TYR CG 3.650 . 5.500 4.710 4.578 4.826 . 0 0 "[ . 1 . 2]" 1
430 1 20 ILE HA 1 23 TYR CZ 4.400 . 7.000 6.578 6.410 6.710 . 0 0 "[ . 1 . 2]" 1
431 1 20 ILE HA 1 24 VAL H 3.400 . 5.000 3.959 3.940 3.975 . 0 0 "[ . 1 . 2]" 1
432 1 20 ILE MG 1 24 VAL H 4.150 . 6.500 3.878 3.800 3.940 . 0 0 "[ . 1 . 2]" 1
433 1 21 CYS H 1 21 CYS HA 2.300 . 2.800 2.889 2.884 2.893 0.093 1 0 "[ . 1 . 2]" 1
434 1 21 CYS HA 1 22 LYS H 2.650 . 3.500 3.564 3.559 3.570 0.070 17 0 "[ . 1 . 2]" 1
435 1 21 CYS HA 1 22 LYS HA 3.400 . 5.000 4.864 4.850 4.872 . 0 0 "[ . 1 . 2]" 1
436 1 21 CYS HA 1 22 LYS QG 3.900 . 6.000 5.072 5.040 5.099 . 0 0 "[ . 1 . 2]" 1
437 1 21 CYS H 1 22 LYS H 2.650 . 3.500 2.560 2.532 2.589 . 0 0 "[ . 1 . 2]" 1
438 1 21 CYS H 1 22 LYS QG 3.900 . 6.000 4.048 4.006 4.110 . 0 0 "[ . 1 . 2]" 1
439 1 21 CYS QB 1 22 LYS H 3.900 . 6.000 2.423 2.402 2.457 . 0 0 "[ . 1 . 2]" 1
440 1 21 CYS QB 1 22 LYS HA 3.900 . 6.000 3.945 3.905 3.980 . 0 0 "[ . 1 . 2]" 1
441 1 21 CYS HA 1 23 TYR H 3.400 . 5.000 4.121 4.012 4.181 . 0 0 "[ . 1 . 2]" 1
442 1 21 CYS QB 1 23 TYR H 3.900 . 6.000 4.537 4.489 4.561 . 0 0 "[ . 1 . 2]" 1
443 1 21 CYS QB 1 24 VAL H 3.900 . 6.000 4.612 4.587 4.634 . 0 0 "[ . 1 . 2]" 1
444 1 21 CYS H 1 24 VAL H 3.400 . 5.000 4.293 4.277 4.319 . 0 0 "[ . 1 . 2]" 1
445 1 21 CYS HA 1 24 VAL H 2.650 . 3.500 3.065 3.011 3.116 . 0 0 "[ . 1 . 2]" 1
446 1 21 CYS HA 1 24 VAL HB 3.400 . 5.000 4.009 3.941 4.096 . 0 0 "[ . 1 . 2]" 1
447 1 21 CYS HA 1 25 GLN HA 2.650 . 3.500 2.429 2.388 2.478 . 0 0 "[ . 1 . 2]" 1
448 1 21 CYS QB 1 25 GLN HA 3.900 . 6.000 3.966 3.936 4.000 . 0 0 "[ . 1 . 2]" 1
449 1 21 CYS HA 1 25 GLN QB 3.900 . 6.000 4.415 4.363 4.481 . 0 0 "[ . 1 . 2]" 1
450 1 21 CYS HA 1 25 GLN QG 3.900 . 6.000 3.419 3.201 3.600 . 0 0 "[ . 1 . 2]" 1
451 1 21 CYS QB 1 25 GLN QB 4.400 . 7.000 5.652 5.639 5.668 . 0 0 "[ . 1 . 2]" 1
452 1 21 CYS QB 1 25 GLN QG 4.400 . 7.000 4.309 4.219 4.378 . 0 0 "[ . 1 . 2]" 1
453 1 21 CYS HA 1 26 ILE MD 4.150 . 6.500 5.105 5.038 5.196 . 0 0 "[ . 1 . 2]" 1
454 1 21 CYS HA 1 26 ILE QG 3.900 . 6.000 3.809 3.741 3.888 . 0 0 "[ . 1 . 2]" 1
455 1 21 CYS QB 1 26 ILE MD 4.650 . 7.500 4.743 4.622 4.851 . 0 0 "[ . 1 . 2]" 1
456 1 22 LYS H 1 22 LYS HA 2.300 . 2.800 2.834 2.828 2.842 0.042 3 0 "[ . 1 . 2]" 1
457 1 22 LYS H 1 22 LYS QG 3.900 . 6.000 1.955 1.934 1.981 . 0 0 "[ . 1 . 2]" 1
458 1 22 LYS H 1 22 LYS QD 3.900 . 6.000 3.225 3.069 3.340 . 0 0 "[ . 1 . 2]" 1
459 1 22 LYS H 1 22 LYS QE 3.900 . 6.000 4.753 4.666 4.834 . 0 0 "[ . 1 . 2]" 1
460 1 22 LYS HA 1 22 LYS QD 3.900 . 6.000 4.152 4.130 4.165 . 0 0 "[ . 1 . 2]" 1
461 1 22 LYS HA 1 22 LYS QE 3.900 . 6.000 4.446 4.342 4.576 . 0 0 "[ . 1 . 2]" 1
462 1 22 LYS H 1 23 TYR H 2.300 . 2.800 2.729 2.700 2.754 . 0 0 "[ . 1 . 2]" 1
463 1 22 LYS H 1 23 TYR HA 3.650 . 5.500 5.396 5.374 5.414 . 0 0 "[ . 1 . 2]" 1
464 1 22 LYS H 1 23 TYR HB2 3.400 . 5.000 5.002 4.958 5.024 0.024 15 0 "[ . 1 . 2]" 1
465 1 22 LYS HA 1 23 TYR H 2.650 . 3.500 3.515 3.505 3.520 0.020 10 0 "[ . 1 . 2]" 1
466 1 22 LYS QG 1 23 TYR H 3.900 . 6.000 4.043 4.031 4.058 . 0 0 "[ . 1 . 2]" 1
467 1 22 LYS QD 1 23 TYR H 3.900 . 6.000 4.356 4.218 4.454 . 0 0 "[ . 1 . 2]" 1
468 1 22 LYS HA 1 23 TYR CG 4.400 . 7.000 5.702 5.680 5.725 . 0 0 "[ . 1 . 2]" 1
469 1 22 LYS HA 1 23 TYR CZ 4.400 . 7.000 6.782 6.729 6.841 . 0 0 "[ . 1 . 2]" 1
470 1 22 LYS HB2 1 23 TYR CG 3.650 . 5.500 3.827 3.808 3.847 . 0 0 "[ . 1 . 2]" 1
471 1 22 LYS HB3 1 23 TYR CG 3.650 . 5.500 4.743 4.650 4.843 . 0 0 "[ . 1 . 2]" 1
472 1 22 LYS HB2 1 23 TYR CZ 3.650 . 5.500 4.209 4.190 4.223 . 0 0 "[ . 1 . 2]" 1
473 1 22 LYS HB3 1 23 TYR CZ 3.650 . 5.500 4.858 4.743 4.993 . 0 0 "[ . 1 . 2]" 1
474 1 22 LYS QG 1 23 TYR CG 4.650 . 7.500 5.797 5.781 5.815 . 0 0 "[ . 1 . 2]" 1
475 1 22 LYS QG 1 23 TYR CZ 4.650 . 7.500 5.996 5.968 6.035 . 0 0 "[ . 1 . 2]" 1
476 1 22 LYS QD 1 23 TYR CG 4.400 . 7.000 5.098 5.013 5.158 . 0 0 "[ . 1 . 2]" 1
477 1 22 LYS QD 1 23 TYR CZ 3.650 . 5.500 4.585 4.572 4.598 . 0 0 "[ . 1 . 2]" 1
478 1 22 LYS QE 1 23 TYR CG 4.400 . 7.000 6.004 5.986 6.025 . 0 0 "[ . 1 . 2]" 1
479 1 22 LYS QE 1 23 TYR CZ 3.650 . 5.500 4.963 4.901 4.977 . 0 0 "[ . 1 . 2]" 1
480 1 22 LYS HB3 1 23 TYR HA 3.400 . 5.000 4.619 4.572 4.664 . 0 0 "[ . 1 . 2]" 1
481 1 22 LYS HA 1 24 VAL H 3.400 . 5.000 4.377 4.330 4.457 . 0 0 "[ . 1 . 2]" 1
482 1 22 LYS HB2 1 24 VAL H 3.400 . 5.000 4.819 4.786 4.885 . 0 0 "[ . 1 . 2]" 1
483 1 23 TYR H 1 23 TYR HB2 2.650 . 3.500 2.465 2.444 2.474 . 0 0 "[ . 1 . 2]" 1
484 1 23 TYR H 1 23 TYR HB3 2.650 . 3.500 3.653 3.645 3.657 0.157 1 0 "[ . 1 . 2]" 1
485 1 23 TYR HA 1 23 TYR HB2 2.650 . 3.500 3.034 3.032 3.036 . 0 0 "[ . 1 . 2]" 1
486 1 23 TYR HA 1 23 TYR HB3 2.300 . 2.800 2.478 2.473 2.488 . 0 0 "[ . 1 . 2]" 1
487 1 23 TYR CZ 1 23 TYR HA 3.650 . 5.500 5.020 4.992 5.036 . 0 0 "[ . 1 . 2]" 1
488 1 23 TYR CZ 1 23 TYR H 4.400 . 7.000 5.170 5.148 5.204 . 0 0 "[ . 1 . 2]" 1
489 1 23 TYR HA 1 24 VAL QG 4.850 . 7.900 3.797 3.768 3.811 . 0 0 "[ . 1 . 2]" 1
490 1 23 TYR HB2 1 24 VAL QG 4.850 . 7.900 2.406 2.383 2.426 . 0 0 "[ . 1 . 2]" 1
491 1 23 TYR HB3 1 24 VAL QG 4.850 . 7.900 2.855 2.761 2.893 . 0 0 "[ . 1 . 2]" 1
492 1 23 TYR CG 1 24 VAL QG 5.850 . 9.900 4.165 4.136 4.182 . 0 0 "[ . 1 . 2]" 1
493 1 23 TYR HB2 1 24 VAL H 2.650 . 3.500 3.183 3.071 3.223 . 0 0 "[ . 1 . 2]" 1
494 1 23 TYR HB3 1 24 VAL H 3.400 . 5.000 4.085 4.003 4.115 . 0 0 "[ . 1 . 2]" 1
495 1 23 TYR H 1 24 VAL H 2.300 . 2.800 2.187 2.162 2.207 . 0 0 "[ . 1 . 2]" 1
496 1 23 TYR H 1 24 VAL HB 3.400 . 5.000 4.952 4.930 5.004 0.004 9 0 "[ . 1 . 2]" 1
497 1 23 TYR H 1 24 VAL QG 4.850 . 7.900 3.584 3.551 3.643 . 0 0 "[ . 1 . 2]" 1
498 1 24 VAL H 1 24 VAL HB 2.650 . 3.500 3.158 3.148 3.172 . 0 0 "[ . 1 . 2]" 1
499 1 24 VAL HA 1 25 GLN H 2.650 . 3.500 3.204 3.198 3.210 . 0 0 "[ . 1 . 2]" 1
500 1 24 VAL H 1 25 GLN H 3.400 . 5.000 4.066 4.057 4.074 . 0 0 "[ . 1 . 2]" 1
501 1 24 VAL H 1 25 GLN QB 3.900 . 6.000 5.049 4.942 5.160 . 0 0 "[ . 1 . 2]" 1
502 1 24 VAL HA 1 25 GLN QB 3.900 . 6.000 3.846 3.788 3.922 . 0 0 "[ . 1 . 2]" 1
503 1 24 VAL HA 1 25 GLN QG 3.900 . 6.000 4.707 4.554 4.867 . 0 0 "[ . 1 . 2]" 1
504 1 24 VAL HB 1 25 GLN H 2.300 . 2.800 2.022 2.005 2.031 . 0 0 "[ . 1 . 2]" 1
505 1 24 VAL HB 1 25 GLN QB 3.900 . 6.000 4.529 4.506 4.549 . 0 0 "[ . 1 . 2]" 1
506 1 24 VAL HB 1 25 GLN QG 3.900 . 6.000 5.281 5.217 5.396 . 0 0 "[ . 1 . 2]" 1
507 1 24 VAL QG 1 25 GLN QB 5.350 . 8.900 3.321 3.262 3.497 . 0 0 "[ . 1 . 2]" 1
508 1 24 VAL QG 1 25 GLN QG 4.600 . 7.400 4.566 4.477 4.683 . 0 0 "[ . 1 . 2]" 1
509 1 24 VAL QG 1 25 GLN H 4.100 . 6.400 1.966 1.919 2.007 . 0 0 "[ . 1 . 2]" 1
510 1 24 VAL QG 1 25 GLN HA 4.850 . 7.900 4.172 4.161 4.208 . 0 0 "[ . 1 . 2]" 1
511 1 24 VAL QG 1 52 PRO HD2 4.850 . 7.900 4.026 3.835 4.229 . 0 0 "[ . 1 . 2]" 1
512 1 24 VAL QG 1 52 PRO HD3 4.850 . 7.900 5.165 4.987 5.353 . 0 0 "[ . 1 . 2]" 1
513 1 25 GLN H 1 25 GLN QG 3.900 . 6.000 4.043 3.987 4.126 . 0 0 "[ . 1 . 2]" 1
514 1 25 GLN H 1 26 ILE H 3.400 . 5.000 3.714 3.650 3.816 . 0 0 "[ . 1 . 2]" 1
515 1 25 GLN HA 1 26 ILE H 2.300 . 2.800 2.169 2.161 2.180 . 0 0 "[ . 1 . 2]" 1
516 1 25 GLN H 1 26 ILE MG 3.400 . 5.000 3.215 3.144 3.322 . 0 0 "[ . 1 . 2]" 1
517 1 25 GLN QG 1 26 ILE H 3.900 . 6.000 3.607 3.435 3.702 . 0 0 "[ . 1 . 2]" 1
518 1 25 GLN QB 1 26 ILE HA 3.900 . 6.000 4.149 4.124 4.181 . 0 0 "[ . 1 . 2]" 1
519 1 25 GLN QG 1 26 ILE HA 3.900 . 6.000 5.139 4.991 5.268 . 0 0 "[ . 1 . 2]" 1
520 1 25 GLN QB 1 26 ILE HG12 3.900 . 6.000 5.426 5.413 5.433 . 0 0 "[ . 1 . 2]" 1
521 1 25 GLN QB 1 26 ILE HG13 3.900 . 6.000 5.405 5.381 5.424 . 0 0 "[ . 1 . 2]" 1
522 1 25 GLN QG 1 26 ILE HG13 3.900 . 6.000 5.379 5.269 5.437 . 0 0 "[ . 1 . 2]" 1
523 1 26 ILE H 1 26 ILE HG12 2.650 . 3.500 2.962 2.926 2.980 . 0 0 "[ . 1 . 2]" 1
524 1 26 ILE H 1 26 ILE HG13 2.650 . 3.500 2.058 2.037 2.086 . 0 0 "[ . 1 . 2]" 1
525 1 26 ILE H 1 26 ILE MD 4.150 . 6.500 3.794 3.779 3.814 . 0 0 "[ . 1 . 2]" 1
526 1 26 ILE HA 1 26 ILE HB 2.300 . 2.800 2.598 2.594 2.601 . 0 0 "[ . 1 . 2]" 1
527 1 26 ILE H 1 27 ASP H 3.400 . 5.000 4.441 4.438 4.446 . 0 0 "[ . 1 . 2]" 1
528 1 26 ILE HA 1 27 ASP HA 3.650 . 5.500 4.426 4.405 4.440 . 0 0 "[ . 1 . 2]" 1
529 1 26 ILE HA 1 27 ASP H 2.650 . 3.500 2.467 2.435 2.481 . 0 0 "[ . 1 . 2]" 1
530 1 26 ILE HB 1 27 ASP H 2.650 . 3.500 2.379 2.351 2.413 . 0 0 "[ . 1 . 2]" 1
531 1 26 ILE HG12 1 27 ASP H 3.400 . 5.000 5.006 4.985 5.020 0.020 9 0 "[ . 1 . 2]" 1
532 1 26 ILE HG13 1 27 ASP H 3.400 . 5.000 4.216 4.186 4.234 . 0 0 "[ . 1 . 2]" 1
533 1 26 ILE MG 1 27 ASP HA 4.150 . 6.500 5.469 5.462 5.474 . 0 0 "[ . 1 . 2]" 1
534 1 26 ILE MD 1 27 ASP H 4.150 . 6.500 3.781 3.707 3.886 . 0 0 "[ . 1 . 2]" 1
535 1 26 ILE MD 1 28 PRO HA 4.150 . 6.500 4.236 4.152 4.322 . 0 0 "[ . 1 . 2]" 1
536 1 26 ILE MD 1 30 MET H 4.150 . 6.500 4.812 4.620 4.962 . 0 0 "[ . 1 . 2]" 1
537 1 26 ILE HA 1 30 MET HB2 3.400 . 5.000 4.765 4.720 4.813 . 0 0 "[ . 1 . 2]" 1
538 1 26 ILE HA 1 30 MET HB3 3.650 . 5.500 5.528 5.506 5.541 0.041 2 0 "[ . 1 . 2]" 1
539 1 26 ILE HA 1 30 MET ME 4.150 . 6.500 3.636 3.421 3.816 . 0 0 "[ . 1 . 2]" 1
540 1 26 ILE HB 1 30 MET HB2 2.650 . 3.500 3.121 3.034 3.233 . 0 0 "[ . 1 . 2]" 1
541 1 26 ILE HB 1 30 MET HB3 3.650 . 5.500 3.829 3.716 3.977 . 0 0 "[ . 1 . 2]" 1
542 1 26 ILE HB 1 30 MET HG3 3.650 . 5.500 4.276 3.888 5.442 . 0 0 "[ . 1 . 2]" 1
543 1 26 ILE HB 1 30 MET ME 4.150 . 6.500 3.234 3.158 3.322 . 0 0 "[ . 1 . 2]" 1
544 1 26 ILE HG12 1 30 MET ME 4.400 . 7.000 5.286 5.167 5.350 . 0 0 "[ . 1 . 2]" 1
545 1 26 ILE MG 1 30 MET HB2 3.400 . 5.000 4.088 4.072 4.106 . 0 0 "[ . 1 . 2]" 1
546 1 26 ILE MG 1 30 MET ME 4.150 . 6.500 2.612 2.415 2.705 . 0 0 "[ . 1 . 2]" 1
547 1 26 ILE MD 1 30 MET HB2 3.400 . 5.000 3.674 3.373 3.905 . 0 0 "[ . 1 . 2]" 1
548 1 26 ILE MD 1 30 MET HB3 4.400 . 7.000 4.191 3.949 4.454 . 0 0 "[ . 1 . 2]" 1
549 1 26 ILE MD 1 30 MET QG 4.650 . 7.500 4.956 4.646 5.478 . 0 0 "[ . 1 . 2]" 1
550 1 26 ILE MD 1 30 MET ME 4.150 . 6.500 4.214 4.133 4.247 . 0 0 "[ . 1 . 2]" 1
551 1 26 ILE MD 1 31 VAL HA 4.150 . 6.500 4.618 4.479 4.882 . 0 0 "[ . 1 . 2]" 1
552 1 26 ILE HA 1 51 LEU HA 3.400 . 5.000 5.059 5.044 5.082 0.082 17 0 "[ . 1 . 2]" 1
553 1 26 ILE HA 1 51 LEU QD 4.850 . 7.900 4.580 4.291 4.901 . 0 0 "[ . 1 . 2]" 1
554 1 26 ILE HB 1 51 LEU QD 4.850 . 7.900 3.684 3.331 4.104 . 0 0 "[ . 1 . 2]" 1
555 1 26 ILE QG 1 51 LEU HA 4.150 . 6.500 4.649 4.568 4.813 . 0 0 "[ . 1 . 2]" 1
556 1 26 ILE MG 1 51 LEU HA 3.400 . 5.000 2.000 1.948 2.097 . 0 0 "[ . 1 . 2]" 1
557 1 26 ILE MD 1 51 LEU HA 4.150 . 6.500 4.113 3.979 4.361 . 0 0 "[ . 1 . 2]" 1
558 1 26 ILE HG12 1 51 LEU QD 4.850 . 7.900 2.775 2.542 3.092 . 0 0 "[ . 1 . 2]" 1
559 1 26 ILE HG13 1 51 LEU QD 4.850 . 7.900 4.124 3.880 4.480 . 0 0 "[ . 1 . 2]" 1
560 1 26 ILE MG 1 51 LEU QD 4.500 . 7.200 1.802 1.683 2.006 0.117 17 0 "[ . 1 . 2]" 1
561 1 26 ILE MD 1 51 LEU QD 4.500 . 7.200 2.608 2.119 3.029 . 0 0 "[ . 1 . 2]" 1
562 1 26 ILE HA 1 52 PRO HD2 3.400 . 5.000 4.292 4.158 4.477 . 0 0 "[ . 1 . 2]" 1
563 1 26 ILE HA 1 52 PRO HD3 3.400 . 5.000 3.666 3.579 3.733 . 0 0 "[ . 1 . 2]" 1
564 1 26 ILE HB 1 52 PRO QG 3.900 . 6.000 4.541 4.397 4.618 . 0 0 "[ . 1 . 2]" 1
565 1 26 ILE MG 1 52 PRO QG 3.900 . 6.000 2.640 2.578 2.731 . 0 0 "[ . 1 . 2]" 1
566 1 26 ILE MG 1 52 PRO HD2 3.400 . 5.000 2.221 2.100 2.365 . 0 0 "[ . 1 . 2]" 1
567 1 26 ILE MG 1 52 PRO HD3 3.400 . 5.000 1.828 1.810 1.872 . 0 0 "[ . 1 . 2]" 1
568 1 26 ILE MD 1 52 PRO QG 4.650 . 7.500 5.513 5.425 5.546 . 0 0 "[ . 1 . 2]" 1
569 1 26 ILE MD 1 52 PRO HD2 4.150 . 6.500 5.260 5.126 5.357 . 0 0 "[ . 1 . 2]" 1
570 1 26 ILE MD 1 52 PRO HD3 4.150 . 6.500 4.588 4.479 4.679 . 0 0 "[ . 1 . 2]" 1
571 1 27 ASP HA 1 28 PRO QB 3.900 . 6.000 4.659 4.651 4.667 . 0 0 "[ . 1 . 2]" 1
572 1 27 ASP HA 1 28 PRO HG2 3.400 . 5.000 4.762 4.735 4.777 . 0 0 "[ . 1 . 2]" 1
573 1 27 ASP HA 1 28 PRO HG3 3.400 . 5.000 4.524 4.503 4.538 . 0 0 "[ . 1 . 2]" 1
574 1 27 ASP HA 1 28 PRO HD2 2.650 . 3.500 2.745 2.705 2.762 . 0 0 "[ . 1 . 2]" 1
575 1 27 ASP HA 1 28 PRO HD3 2.650 . 3.500 2.268 2.248 2.283 . 0 0 "[ . 1 . 2]" 1
576 1 27 ASP H 1 28 PRO QD 3.900 . 6.000 4.439 4.435 4.451 . 0 0 "[ . 1 . 2]" 1
577 1 27 ASP HB2 1 28 PRO HA 3.650 . 5.500 5.491 5.135 5.525 0.025 7 0 "[ . 1 . 2]" 1
578 1 27 ASP HB3 1 28 PRO HA 3.650 . 5.500 4.732 4.697 5.027 . 0 0 "[ . 1 . 2]" 1
579 1 27 ASP HB2 1 28 PRO HD2 3.400 . 5.000 3.645 3.439 3.666 . 0 0 "[ . 1 . 2]" 1
580 1 27 ASP HB3 1 28 PRO HD2 3.400 . 5.000 1.986 1.962 1.997 . 0 0 "[ . 1 . 2]" 1
581 1 27 ASP HB2 1 28 PRO HD3 3.400 . 5.000 4.530 4.410 4.548 . 0 0 "[ . 1 . 2]" 1
582 1 27 ASP HB3 1 28 PRO HD3 3.400 . 5.000 3.262 3.180 3.277 . 0 0 "[ . 1 . 2]" 1
583 1 27 ASP HA 1 29 GLU H 3.400 . 5.000 4.216 4.184 4.236 . 0 0 "[ . 1 . 2]" 1
584 1 27 ASP QB 1 29 GLU H 3.900 . 6.000 2.426 2.383 2.683 . 0 0 "[ . 1 . 2]" 1
585 1 28 PRO QD 1 29 GLU H 2.800 . 3.800 2.379 2.366 2.399 . 0 0 "[ . 1 . 2]" 1
586 1 28 PRO HA 1 30 MET H 2.650 . 3.500 3.589 3.578 3.599 0.099 4 0 "[ . 1 . 2]" 1
587 1 28 PRO HA 1 31 VAL H 2.650 . 3.500 3.251 3.129 3.527 0.027 7 0 "[ . 1 . 2]" 1
588 1 28 PRO HA 1 31 VAL QG 4.100 . 6.400 2.972 2.718 3.068 . 0 0 "[ . 1 . 2]" 1
589 1 28 PRO QB 1 31 VAL QG 5.350 . 8.900 4.318 4.130 4.393 . 0 0 "[ . 1 . 2]" 1
590 1 28 PRO QD 1 31 VAL QG 5.350 . 8.900 5.007 4.855 5.135 . 0 0 "[ . 1 . 2]" 1
591 1 29 GLU H 1 29 GLU QG 3.900 . 6.000 2.417 1.990 3.241 . 0 0 "[ . 1 . 2]" 1
592 1 29 GLU H 1 30 MET H 2.650 . 3.500 2.591 2.582 2.602 . 0 0 "[ . 1 . 2]" 1
593 1 29 GLU H 1 30 MET QB 3.900 . 6.000 4.446 4.423 4.490 . 0 0 "[ . 1 . 2]" 1
594 1 29 GLU HA 1 30 MET H 2.650 . 3.500 3.440 3.408 3.456 . 0 0 "[ . 1 . 2]" 1
595 1 29 GLU H 1 31 VAL H 3.400 . 5.000 4.182 4.129 4.244 . 0 0 "[ . 1 . 2]" 1
596 1 29 GLU H 1 31 VAL MG2 4.150 . 6.500 5.185 4.939 5.232 . 0 0 "[ . 1 . 2]" 1
597 1 30 MET H 1 30 MET HB2 2.300 . 2.800 2.269 2.255 2.293 . 0 0 "[ . 1 . 2]" 1
598 1 30 MET H 1 30 MET HB3 2.650 . 3.500 3.560 3.553 3.573 0.073 14 0 "[ . 1 . 2]" 1
599 1 30 MET HA 1 30 MET HB2 2.650 . 3.500 3.017 3.012 3.024 . 0 0 "[ . 1 . 2]" 1
600 1 30 MET HA 1 30 MET HB3 2.650 . 3.500 2.605 2.582 2.613 . 0 0 "[ . 1 . 2]" 1
601 1 30 MET HA 1 31 VAL H 2.650 . 3.500 3.468 3.281 3.498 . 0 0 "[ . 1 . 2]" 1
602 1 30 MET HA 1 31 VAL MG2 4.150 . 6.500 4.604 4.380 4.684 . 0 0 "[ . 1 . 2]" 1
603 1 30 MET H 1 31 VAL H 2.300 . 2.800 2.295 2.256 2.497 . 0 0 "[ . 1 . 2]" 1
604 1 30 MET H 1 31 VAL QG 4.850 . 7.900 3.644 3.447 3.704 . 0 0 "[ . 1 . 2]" 1
605 1 30 MET HB2 1 31 VAL H 3.400 . 5.000 3.159 3.014 3.728 . 0 0 "[ . 1 . 2]" 1
606 1 30 MET HB3 1 31 VAL H 3.400 . 5.000 3.840 3.745 4.212 . 0 0 "[ . 1 . 2]" 1
607 1 30 MET HA 1 50 THR HB 2.650 . 3.500 3.162 2.876 3.494 . 0 0 "[ . 1 . 2]" 1
608 1 30 MET QB 1 50 THR HA 3.900 . 6.000 4.715 4.499 4.901 . 0 0 "[ . 1 . 2]" 1
609 1 30 MET HB2 1 50 THR HB 3.400 . 5.000 4.179 3.766 4.470 . 0 0 "[ . 1 . 2]" 1
610 1 30 MET HB3 1 50 THR HB 3.400 . 5.000 2.497 2.082 2.758 . 0 0 "[ . 1 . 2]" 1
611 1 30 MET HG2 1 50 THR HB 3.400 . 5.000 4.270 3.167 4.726 . 0 0 "[ . 1 . 2]" 1
612 1 30 MET HG3 1 50 THR HB 3.400 . 5.000 4.804 4.369 5.021 0.021 8 0 "[ . 1 . 2]" 1
613 1 30 MET ME 1 50 THR HA 4.150 . 6.500 4.589 4.456 4.739 . 0 0 "[ . 1 . 2]" 1
614 1 30 MET ME 1 50 THR HB 4.150 . 6.500 3.468 3.012 3.641 . 0 0 "[ . 1 . 2]" 1
615 1 30 MET HA 1 50 THR MG 4.150 . 6.500 4.143 3.803 4.530 . 0 0 "[ . 1 . 2]" 1
616 1 30 MET HB2 1 50 THR H 3.400 . 5.000 4.758 4.557 4.904 . 0 0 "[ . 1 . 2]" 1
617 1 30 MET HB3 1 50 THR H 3.400 . 5.000 3.525 3.351 3.641 . 0 0 "[ . 1 . 2]" 1
618 1 30 MET HB2 1 50 THR MG 4.150 . 6.500 5.060 4.479 5.350 . 0 0 "[ . 1 . 2]" 1
619 1 30 MET HB3 1 50 THR MG 4.150 . 6.500 3.610 3.040 3.909 . 0 0 "[ . 1 . 2]" 1
620 1 30 MET HG2 1 50 THR MG 4.150 . 6.500 4.476 2.841 5.069 . 0 0 "[ . 1 . 2]" 1
621 1 30 MET HG3 1 50 THR MG 4.150 . 6.500 4.916 4.342 5.195 . 0 0 "[ . 1 . 2]" 1
622 1 30 MET ME 1 50 THR MG 3.550 . 5.300 2.749 2.124 2.975 . 0 0 "[ . 1 . 2]" 1
623 1 31 VAL H 1 31 VAL HB 2.300 . 2.800 2.572 2.530 2.691 . 0 0 "[ . 1 . 2]" 1
624 1 31 VAL H 1 32 THR H 3.650 . 5.500 4.462 4.300 4.547 . 0 0 "[ . 1 . 2]" 1
625 1 31 VAL HB 1 32 THR H 3.400 . 5.000 4.195 4.081 4.287 . 0 0 "[ . 1 . 2]" 1
626 1 31 VAL MG1 1 32 THR H 4.150 . 6.500 2.655 2.339 2.865 . 0 0 "[ . 1 . 2]" 1
627 1 31 VAL MG2 1 32 THR H 4.150 . 6.500 4.134 4.057 4.187 . 0 0 "[ . 1 . 2]" 1
628 1 31 VAL HA 1 48 ASN HA 3.650 . 5.500 5.278 5.235 5.330 . 0 0 "[ . 1 . 2]" 1
629 1 31 VAL HA 1 49 VAL HA 2.300 . 2.800 2.325 2.182 2.496 . 0 0 "[ . 1 . 2]" 1
630 1 32 THR H 1 32 THR HB 2.650 . 3.500 2.737 2.618 2.784 . 0 0 "[ . 1 . 2]" 1
631 1 32 THR H 1 32 THR HA 2.300 . 2.800 2.945 2.934 2.962 0.162 3 0 "[ . 1 . 2]" 1
632 1 32 THR H 1 33 VAL H 3.400 . 5.000 4.595 4.563 4.612 . 0 0 "[ . 1 . 2]" 1
633 1 32 THR HA 1 33 VAL H 2.300 . 2.800 2.386 2.353 2.431 . 0 0 "[ . 1 . 2]" 1
634 1 32 THR HA 1 33 VAL HB 3.400 . 5.000 4.596 4.544 4.644 . 0 0 "[ . 1 . 2]" 1
635 1 32 THR HA 1 33 VAL MG1 4.150 . 6.500 5.427 5.423 5.434 . 0 0 "[ . 1 . 2]" 1
636 1 32 THR HA 1 33 VAL MG2 4.150 . 6.500 3.276 3.195 3.372 . 0 0 "[ . 1 . 2]" 1
637 1 32 THR HB 1 33 VAL H 2.650 . 3.500 3.460 3.382 3.522 0.022 4 0 "[ . 1 . 2]" 1
638 1 32 THR HB 1 33 VAL HA 3.400 . 5.000 4.336 4.296 4.448 . 0 0 "[ . 1 . 2]" 1
639 1 32 THR MG 1 33 VAL H 4.150 . 6.500 2.031 1.924 2.143 . 0 0 "[ . 1 . 2]" 1
640 1 32 THR MG 1 33 VAL HA 4.150 . 6.500 3.878 3.709 3.980 . 0 0 "[ . 1 . 2]" 1
641 1 32 THR HB 1 34 GLN QB 3.900 . 6.000 5.109 5.046 5.149 . 0 0 "[ . 1 . 2]" 1
642 1 32 THR HB 1 34 GLN QG 3.900 . 6.000 5.266 4.839 5.403 . 0 0 "[ . 1 . 2]" 1
643 1 32 THR MG 1 34 GLN H 4.150 . 6.500 4.227 3.730 4.619 . 0 0 "[ . 1 . 2]" 1
644 1 32 THR MG 1 34 GLN HA 4.150 . 6.500 4.646 4.362 4.864 . 0 0 "[ . 1 . 2]" 1
645 1 32 THR MG 1 34 GLN HB2 4.150 . 6.500 5.004 4.721 5.148 . 0 0 "[ . 1 . 2]" 1
646 1 32 THR MG 1 34 GLN HB3 4.150 . 6.500 3.472 3.184 3.640 . 0 0 "[ . 1 . 2]" 1
647 1 32 THR MG 1 34 GLN HG2 4.150 . 6.500 4.775 3.973 5.101 . 0 0 "[ . 1 . 2]" 1
648 1 32 THR MG 1 34 GLN HG3 4.150 . 6.500 5.229 5.166 5.272 . 0 0 "[ . 1 . 2]" 1
649 1 32 THR MG 1 34 GLN HE21 4.150 . 6.500 3.996 2.371 5.107 . 0 0 "[ . 1 . 2]" 1
650 1 32 THR H 1 47 LEU HA 3.400 . 5.000 4.744 4.450 5.006 0.006 4 0 "[ . 1 . 2]" 1
651 1 32 THR HA 1 47 LEU HA 3.650 . 5.500 5.225 5.036 5.420 . 0 0 "[ . 1 . 2]" 1
652 1 32 THR HB 1 47 LEU HA 3.650 . 5.500 4.001 3.740 4.448 . 0 0 "[ . 1 . 2]" 1
653 1 32 THR MG 1 47 LEU HA 4.150 . 6.500 4.425 4.182 4.615 . 0 0 "[ . 1 . 2]" 1
654 1 32 THR H 1 48 ASN HB2 3.400 . 5.000 2.205 2.095 2.298 . 0 0 "[ . 1 . 2]" 1
655 1 32 THR H 1 48 ASN HB3 3.400 . 5.000 3.700 3.565 3.798 . 0 0 "[ . 1 . 2]" 1
656 1 32 THR HB 1 48 ASN H 3.400 . 5.000 2.334 2.120 2.734 . 0 0 "[ . 1 . 2]" 1
657 1 32 THR HA 1 48 ASN H 3.400 . 5.000 4.204 4.083 4.439 . 0 0 "[ . 1 . 2]" 1
658 1 32 THR HB 1 48 ASN HA 3.400 . 5.000 4.322 4.208 4.566 . 0 0 "[ . 1 . 2]" 1
659 1 32 THR HB 1 48 ASN HB2 2.650 . 3.500 2.024 1.946 2.079 . 0 0 "[ . 1 . 2]" 1
660 1 32 THR HB 1 48 ASN HB3 2.650 . 3.500 3.539 3.515 3.563 0.063 18 0 "[ . 1 . 2]" 1
661 1 32 THR HB 1 48 ASN HD21 3.400 . 5.000 4.120 3.949 4.367 . 0 0 "[ . 1 . 2]" 1
662 1 32 THR HB 1 48 ASN HD22 3.650 . 5.500 4.002 3.849 4.371 . 0 0 "[ . 1 . 2]" 1
663 1 32 THR HA 1 48 ASN QB 3.900 . 6.000 4.104 4.026 4.260 . 0 0 "[ . 1 . 2]" 1
664 1 32 THR MG 1 48 ASN HB2 4.150 . 6.500 3.620 3.582 3.697 . 0 0 "[ . 1 . 2]" 1
665 1 32 THR MG 1 48 ASN HB3 4.150 . 6.500 4.778 4.732 4.913 . 0 0 "[ . 1 . 2]" 1
666 1 32 THR MG 1 48 ASN H 4.150 . 6.500 3.720 3.559 3.886 . 0 0 "[ . 1 . 2]" 1
667 1 33 VAL H 1 33 VAL HB 2.300 . 2.800 2.847 2.831 2.877 0.077 8 0 "[ . 1 . 2]" 1
668 1 33 VAL HA 1 34 GLN H 2.300 . 2.800 2.205 2.187 2.232 . 0 0 "[ . 1 . 2]" 1
669 1 33 VAL H 1 34 GLN H 3.400 . 5.000 4.087 3.877 4.292 . 0 0 "[ . 1 . 2]" 1
670 1 33 VAL HB 1 34 GLN HA 3.400 . 5.000 4.651 4.568 4.704 . 0 0 "[ . 1 . 2]" 1
671 1 33 VAL MG1 1 34 GLN HA 4.150 . 6.500 3.745 3.557 3.931 . 0 0 "[ . 1 . 2]" 1
672 1 33 VAL MG2 1 34 GLN HA 4.150 . 6.500 5.526 5.502 5.546 . 0 0 "[ . 1 . 2]" 1
673 1 33 VAL QG 1 34 GLN H 4.850 . 7.900 2.821 2.429 3.142 . 0 0 "[ . 1 . 2]" 1
674 1 33 VAL HA 1 34 GLN HA 3.650 . 5.500 4.457 4.444 4.483 . 0 0 "[ . 1 . 2]" 1
675 1 33 VAL HA 1 47 LEU HA 2.300 . 2.800 2.032 1.987 2.087 . 0 0 "[ . 1 . 2]" 1
676 1 33 VAL HA 1 47 LEU HB2 2.650 . 3.500 3.415 3.254 3.532 0.032 20 0 "[ . 1 . 2]" 1
677 1 33 VAL HA 1 47 LEU HB3 2.650 . 3.500 2.896 2.721 3.171 . 0 0 "[ . 1 . 2]" 1
678 1 33 VAL HB 1 47 LEU QB 3.900 . 6.000 4.696 4.579 4.792 . 0 0 "[ . 1 . 2]" 1
679 1 33 VAL MG1 1 47 LEU HA 3.400 . 5.000 3.597 3.302 3.761 . 0 0 "[ . 1 . 2]" 1
680 1 33 VAL MG2 1 47 LEU HA 3.400 . 5.000 3.295 3.150 3.425 . 0 0 "[ . 1 . 2]" 1
681 1 33 VAL MG1 1 47 LEU HB2 4.150 . 6.500 3.866 3.658 4.016 . 0 0 "[ . 1 . 2]" 1
682 1 33 VAL MG2 1 47 LEU HB2 4.150 . 6.500 2.686 2.526 2.801 . 0 0 "[ . 1 . 2]" 1
683 1 33 VAL MG1 1 47 LEU HB3 4.150 . 6.500 2.773 2.638 2.902 . 0 0 "[ . 1 . 2]" 1
684 1 33 VAL MG2 1 47 LEU HB3 4.150 . 6.500 2.774 2.539 2.888 . 0 0 "[ . 1 . 2]" 1
685 1 33 VAL HB 1 47 LEU HA 3.400 . 5.000 5.005 4.935 5.053 0.053 2 0 "[ . 1 . 2]" 1
686 1 33 VAL HA 1 48 ASN H 3.400 . 5.000 3.435 3.247 3.552 . 0 0 "[ . 1 . 2]" 1
687 1 34 GLN H 1 34 GLN HB3 2.650 . 3.500 3.271 3.087 3.448 . 0 0 "[ . 1 . 2]" 1
688 1 34 GLN HA 1 34 GLN HB2 2.300 . 2.800 2.508 2.468 2.531 . 0 0 "[ . 1 . 2]" 1
689 1 34 GLN HA 1 34 GLN HB3 2.300 . 2.800 2.433 2.410 2.466 . 0 0 "[ . 1 . 2]" 1
690 1 34 GLN HA 1 35 LEU H 2.300 . 2.800 2.209 2.163 2.271 . 0 0 "[ . 1 . 2]" 1
691 1 34 GLN HA 1 35 LEU HA 3.400 . 5.000 4.437 4.418 4.454 . 0 0 "[ . 1 . 2]" 1
692 1 34 GLN H 1 35 LEU H 3.400 . 5.000 4.313 4.155 4.445 . 0 0 "[ . 1 . 2]" 1
693 1 34 GLN HA 1 35 LEU HB3 3.650 . 5.500 4.655 4.605 4.738 . 0 0 "[ . 1 . 2]" 1
694 1 34 GLN HA 1 35 LEU HG 3.400 . 5.000 4.199 4.006 4.347 . 0 0 "[ . 1 . 2]" 1
695 1 34 GLN HA 1 35 LEU QD 4.850 . 7.900 3.191 2.872 3.674 . 0 0 "[ . 1 . 2]" 1
696 1 34 GLN HB2 1 35 LEU QD 4.850 . 7.900 4.683 4.390 5.076 . 0 0 "[ . 1 . 2]" 1
697 1 34 GLN HB3 1 35 LEU QD 4.850 . 7.900 5.157 4.893 5.577 . 0 0 "[ . 1 . 2]" 1
698 1 34 GLN QB 1 35 LEU H 3.150 . 4.500 3.217 2.999 3.413 . 0 0 "[ . 1 . 2]" 1
699 1 34 GLN QB 1 35 LEU HA 3.900 . 6.000 4.598 4.501 4.727 . 0 0 "[ . 1 . 2]" 1
700 1 34 GLN QG 1 35 LEU HA 3.900 . 6.000 4.237 4.137 4.338 . 0 0 "[ . 1 . 2]" 1
701 1 34 GLN QB 1 35 LEU HB3 4.150 . 6.500 5.633 5.524 5.720 . 0 0 "[ . 1 . 2]" 1
702 1 34 GLN HA 1 45 LEU HA 3.650 . 5.500 5.510 5.184 5.643 0.143 4 0 "[ . 1 . 2]" 1
703 1 34 GLN QG 1 45 LEU HA 3.900 . 6.000 4.425 3.973 4.905 . 0 0 "[ . 1 . 2]" 1
704 1 34 GLN H 1 46 GLU H 2.650 . 3.500 3.467 3.316 3.517 0.017 14 0 "[ . 1 . 2]" 1
705 1 34 GLN HE21 1 46 GLU QB 3.150 . 4.500 3.232 1.944 3.889 . 0 0 "[ . 1 . 2]" 1
706 1 34 GLN HE22 1 46 GLU QB 3.900 . 6.000 3.955 3.202 4.358 . 0 0 "[ . 1 . 2]" 1
707 1 34 GLN H 1 47 LEU HA 2.650 . 3.500 2.960 2.875 3.059 . 0 0 "[ . 1 . 2]" 1
708 1 34 GLN HE22 1 48 ASN HD21 2.650 . 3.500 3.508 3.398 3.595 0.095 20 0 "[ . 1 . 2]" 1
709 1 34 GLN HE21 1 48 ASN HD22 3.400 . 5.000 3.108 2.329 3.779 . 0 0 "[ . 1 . 2]" 1
710 1 35 LEU H 1 35 LEU HB2 2.650 . 3.500 3.660 3.637 3.688 0.188 3 0 "[ . 1 . 2]" 1
711 1 35 LEU H 1 35 LEU HB3 2.650 . 3.500 2.971 2.820 3.100 . 0 0 "[ . 1 . 2]" 1
712 1 35 LEU H 1 35 LEU HG 3.400 . 5.000 2.099 1.970 2.235 . 0 0 "[ . 1 . 2]" 1
713 1 35 LEU H 1 35 LEU QD 4.850 . 7.900 2.094 1.934 2.376 . 0 0 "[ . 1 . 2]" 1
714 1 35 LEU HA 1 35 LEU HB2 2.300 . 2.800 2.494 2.470 2.538 . 0 0 "[ . 1 . 2]" 1
715 1 35 LEU HA 1 35 LEU HB3 2.300 . 2.800 2.419 2.387 2.436 . 0 0 "[ . 1 . 2]" 1
716 1 35 LEU H 1 36 GLU H 3.400 . 5.000 4.529 4.403 4.579 . 0 0 "[ . 1 . 2]" 1
717 1 35 LEU HA 1 36 GLU H 2.300 . 2.800 2.255 2.164 2.388 . 0 0 "[ . 1 . 2]" 1
718 1 35 LEU HA 1 36 GLU HA 3.400 . 5.000 4.490 4.444 4.557 . 0 0 "[ . 1 . 2]" 1
719 1 35 LEU HA 1 36 GLU QG 3.900 . 6.000 3.829 3.386 4.162 . 0 0 "[ . 1 . 2]" 1
720 1 35 LEU HB2 1 36 GLU H 3.400 . 5.000 2.945 2.499 3.463 . 0 0 "[ . 1 . 2]" 1
721 1 35 LEU HB3 1 36 GLU H 3.400 . 5.000 4.003 3.759 4.276 . 0 0 "[ . 1 . 2]" 1
722 1 35 LEU HG 1 36 GLU H 3.400 . 5.000 4.299 4.027 4.544 . 0 0 "[ . 1 . 2]" 1
723 1 35 LEU QB 1 36 GLU HA 3.900 . 6.000 4.315 4.162 4.516 . 0 0 "[ . 1 . 2]" 1
724 1 35 LEU HG 1 36 GLU HA 3.400 . 5.000 4.283 4.075 4.508 . 0 0 "[ . 1 . 2]" 1
725 1 35 LEU QD 1 36 GLU H 4.850 . 7.900 3.916 3.648 4.182 . 0 0 "[ . 1 . 2]" 1
726 1 35 LEU QD 1 36 GLU HA 4.850 . 7.900 3.964 3.654 4.259 . 0 0 "[ . 1 . 2]" 1
727 1 35 LEU QD 1 37 GLN H 4.850 . 7.900 5.419 4.647 5.580 . 0 0 "[ . 1 . 2]" 1
728 1 35 LEU HB2 1 37 GLN QG 3.900 . 6.000 4.483 4.121 4.970 . 0 0 "[ . 1 . 2]" 1
729 1 35 LEU QD 1 37 GLN QG 4.600 . 7.400 3.750 3.231 4.224 . 0 0 "[ . 1 . 2]" 1
730 1 35 LEU QD 1 37 GLN HE21 4.100 . 6.400 2.969 2.633 3.510 . 0 0 "[ . 1 . 2]" 1
731 1 35 LEU QD 1 37 GLN HE22 4.100 . 6.400 3.557 2.085 4.123 . 0 0 "[ . 1 . 2]" 1
732 1 35 LEU HA 1 45 LEU HA 2.300 . 2.800 1.923 1.884 1.983 . 0 0 "[ . 1 . 2]" 1
733 1 35 LEU HA 1 45 LEU QB 3.900 . 6.000 3.670 3.377 3.907 . 0 0 "[ . 1 . 2]" 1
734 1 35 LEU HA 1 45 LEU QD 4.100 . 6.400 3.488 3.093 3.799 . 0 0 "[ . 1 . 2]" 1
735 1 35 LEU HB2 1 45 LEU HA 3.400 . 5.000 3.799 3.455 4.158 . 0 0 "[ . 1 . 2]" 1
736 1 35 LEU HB3 1 45 LEU HA 3.400 . 5.000 3.470 3.166 3.822 . 0 0 "[ . 1 . 2]" 1
737 1 35 LEU HB2 1 45 LEU QB 3.900 . 6.000 4.192 3.955 4.448 . 0 0 "[ . 1 . 2]" 1
738 1 35 LEU HB3 1 45 LEU QB 3.900 . 6.000 3.879 3.724 3.969 . 0 0 "[ . 1 . 2]" 1
739 1 35 LEU HB2 1 45 LEU HG 3.400 . 5.000 4.618 4.212 5.012 0.012 4 0 "[ . 1 . 2]" 1
740 1 35 LEU HB3 1 45 LEU HG 3.400 . 5.000 3.428 3.088 3.873 . 0 0 "[ . 1 . 2]" 1
741 1 35 LEU HB2 1 45 LEU QD 4.100 . 6.400 3.589 3.040 4.017 . 0 0 "[ . 1 . 2]" 1
742 1 35 LEU HB3 1 45 LEU QD 4.100 . 6.400 2.527 1.958 3.068 . 0 0 "[ . 1 . 2]" 1
743 1 35 LEU QD 1 45 LEU HA 4.850 . 7.900 4.425 4.227 4.654 . 0 0 "[ . 1 . 2]" 1
744 1 35 LEU QD 1 45 LEU HB2 4.850 . 7.900 4.821 4.729 4.877 . 0 0 "[ . 1 . 2]" 1
745 1 35 LEU QD 1 45 LEU HB3 4.850 . 7.900 5.876 5.804 5.917 . 0 0 "[ . 1 . 2]" 1
746 1 35 LEU QD 1 45 LEU QD 5.200 . 8.600 3.155 2.832 3.444 . 0 0 "[ . 1 . 2]" 1
747 1 36 GLU H 1 36 GLU HB2 2.650 . 3.500 2.678 2.426 2.894 . 0 0 "[ . 1 . 2]" 1
748 1 36 GLU H 1 36 GLU HG2 3.400 . 5.000 3.248 2.509 3.508 . 0 0 "[ . 1 . 2]" 1
749 1 36 GLU H 1 36 GLU HG3 3.400 . 5.000 4.440 4.009 4.646 . 0 0 "[ . 1 . 2]" 1
750 1 36 GLU HA 1 36 GLU HB2 2.650 . 3.500 3.022 3.012 3.035 . 0 0 "[ . 1 . 2]" 1
751 1 36 GLU HA 1 36 GLU HB3 2.300 . 2.800 2.556 2.365 2.608 . 0 0 "[ . 1 . 2]" 1
752 1 36 GLU HA 1 37 GLN H 2.300 . 2.800 2.566 2.216 2.636 . 0 0 "[ . 1 . 2]" 1
753 1 36 GLU H 1 37 GLN H 3.400 . 5.000 4.427 4.178 4.501 . 0 0 "[ . 1 . 2]" 1
754 1 36 GLU HA 1 37 GLN HA 3.400 . 5.000 4.581 4.458 4.607 . 0 0 "[ . 1 . 2]" 1
755 1 36 GLU QB 1 38 LYS QG 4.400 . 7.000 4.559 4.139 5.086 . 0 0 "[ . 1 . 2]" 1
756 1 36 GLU QG 1 44 ILE H 3.900 . 6.000 5.174 4.250 5.376 . 0 0 "[ . 1 . 2]" 1
757 1 36 GLU H 1 44 ILE H 2.650 . 3.500 2.682 2.535 2.890 . 0 0 "[ . 1 . 2]" 1
758 1 36 GLU HB2 1 44 ILE MG 3.400 . 5.000 2.727 2.317 3.529 . 0 0 "[ . 1 . 2]" 1
759 1 36 GLU HB3 1 44 ILE MG 4.150 . 6.500 3.917 3.547 4.781 . 0 0 "[ . 1 . 2]" 1
760 1 36 GLU HB2 1 44 ILE MD 3.400 . 5.000 3.257 2.315 4.325 . 0 0 "[ . 1 . 2]" 1
761 1 36 GLU HB3 1 44 ILE MD 4.150 . 6.500 3.581 2.881 5.501 . 0 0 "[ . 1 . 2]" 1
762 1 36 GLU HG2 1 44 ILE MG 3.400 . 5.000 4.044 3.935 4.113 . 0 0 "[ . 1 . 2]" 1
763 1 36 GLU HG3 1 44 ILE MG 3.400 . 5.000 3.887 3.596 4.045 . 0 0 "[ . 1 . 2]" 1
764 1 36 GLU HB2 1 44 ILE HG12 3.650 . 5.500 4.516 2.995 4.852 . 0 0 "[ . 1 . 2]" 1
765 1 36 GLU HB3 1 44 ILE HG12 3.650 . 5.500 5.341 4.248 5.555 0.055 13 0 "[ . 1 . 2]" 1
766 1 36 GLU HB2 1 44 ILE HG13 3.400 . 5.000 3.982 3.001 4.303 . 0 0 "[ . 1 . 2]" 1
767 1 36 GLU HB3 1 44 ILE HG13 3.400 . 5.000 4.467 3.733 4.647 . 0 0 "[ . 1 . 2]" 1
768 1 36 GLU H 1 45 LEU HA 3.400 . 5.000 3.190 2.750 3.625 . 0 0 "[ . 1 . 2]" 1
769 1 36 GLU HB2 1 45 LEU HA 3.400 . 5.000 4.983 4.406 5.105 0.105 5 0 "[ . 1 . 2]" 1
770 1 37 GLN H 1 37 GLN QG 3.900 . 6.000 3.390 2.877 3.787 . 0 0 "[ . 1 . 2]" 1
771 1 37 GLN HA 1 38 LYS H 2.300 . 2.800 2.359 2.286 2.523 . 0 0 "[ . 1 . 2]" 1
772 1 37 GLN HA 1 38 LYS HA 3.400 . 5.000 4.457 4.434 4.521 . 0 0 "[ . 1 . 2]" 1
773 1 37 GLN HA 1 38 LYS QG 3.900 . 6.000 3.978 3.106 4.748 . 0 0 "[ . 1 . 2]" 1
774 1 37 GLN HA 1 38 LYS QD 3.900 . 6.000 4.159 3.724 5.410 . 0 0 "[ . 1 . 2]" 1
775 1 37 GLN QG 1 38 LYS H 3.900 . 6.000 3.722 3.310 4.160 . 0 0 "[ . 1 . 2]" 1
776 1 37 GLN HA 1 43 SER HA 2.300 . 2.800 2.007 1.965 2.062 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLN HA 1 43 SER HB2 3.400 . 5.000 5.009 4.972 5.031 0.031 6 0 "[ . 1 . 2]" 1
778 1 37 GLN HA 1 43 SER HB3 3.400 . 5.000 4.271 4.105 4.445 . 0 0 "[ . 1 . 2]" 1
779 1 37 GLN QB 1 43 SER HA 3.150 . 4.500 3.565 3.281 3.832 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLN QG 1 43 SER HA 3.900 . 6.000 2.264 1.975 2.992 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLN H 1 43 SER HA 3.400 . 5.000 4.700 4.572 4.789 . 0 0 "[ . 1 . 2]" 1
782 1 37 GLN HB2 1 43 SER HA 3.400 . 5.000 4.502 4.311 4.834 . 0 0 "[ . 1 . 2]" 1
783 1 37 GLN HB3 1 43 SER HA 3.400 . 5.000 3.750 3.372 4.159 . 0 0 "[ . 1 . 2]" 1
784 1 37 GLN QB 1 43 SER QB 4.400 . 7.000 4.951 4.623 5.326 . 0 0 "[ . 1 . 2]" 1
785 1 37 GLN QG 1 43 SER HB2 3.900 . 6.000 4.303 3.859 5.020 . 0 0 "[ . 1 . 2]" 1
786 1 37 GLN QG 1 43 SER HB3 3.900 . 6.000 3.311 2.758 4.082 . 0 0 "[ . 1 . 2]" 1
787 1 37 GLN H 1 44 ILE H 3.400 . 5.000 4.608 4.128 4.811 . 0 0 "[ . 1 . 2]" 1
788 1 37 GLN HA 1 44 ILE HB 3.400 . 5.000 4.071 3.816 4.715 . 0 0 "[ . 1 . 2]" 1
789 1 37 GLN HA 1 44 ILE HG12 3.400 . 5.000 4.705 2.826 5.057 0.057 13 0 "[ . 1 . 2]" 1
790 1 37 GLN HA 1 44 ILE HG13 3.400 . 5.000 3.450 3.245 4.497 . 0 0 "[ . 1 . 2]" 1
791 1 37 GLN HA 1 44 ILE MG 4.150 . 6.500 5.336 5.208 5.533 . 0 0 "[ . 1 . 2]" 1
792 1 37 GLN HA 1 44 ILE MD 4.150 . 6.500 3.997 3.744 4.366 . 0 0 "[ . 1 . 2]" 1
793 1 38 LYS H 1 38 LYS QG 3.900 . 6.000 3.128 2.590 3.639 . 0 0 "[ . 1 . 2]" 1
794 1 38 LYS H 1 38 LYS QD 3.900 . 6.000 3.349 2.941 4.534 . 0 0 "[ . 1 . 2]" 1
795 1 38 LYS HA 1 38 LYS QD 3.900 . 6.000 3.889 3.451 4.045 . 0 0 "[ . 1 . 2]" 1
796 1 38 LYS H 1 39 ASP H 3.400 . 5.000 4.527 4.480 4.568 . 0 0 "[ . 1 . 2]" 1
797 1 38 LYS HA 1 39 ASP H 2.650 . 3.500 2.498 2.416 2.596 . 0 0 "[ . 1 . 2]" 1
798 1 38 LYS QB 1 39 ASP H 3.150 . 4.500 2.327 2.140 2.606 . 0 0 "[ . 1 . 2]" 1
799 1 38 LYS QB 1 39 ASP HA 3.900 . 6.000 4.361 4.270 4.420 . 0 0 "[ . 1 . 2]" 1
800 1 38 LYS QG 1 39 ASP H 3.900 . 6.000 3.684 3.264 4.368 . 0 0 "[ . 1 . 2]" 1
801 1 38 LYS QD 1 39 ASP H 3.900 . 6.000 5.101 4.410 5.295 . 0 0 "[ . 1 . 2]" 1
802 1 38 LYS H 1 42 ILE H 3.400 . 5.000 2.903 2.655 3.230 . 0 0 "[ . 1 . 2]" 1
803 1 38 LYS H 1 42 ILE HG13 3.400 . 5.000 4.628 4.482 5.004 0.004 13 0 "[ . 1 . 2]" 1
804 1 38 LYS HA 1 42 ILE HB 3.400 . 5.000 4.794 4.656 4.851 . 0 0 "[ . 1 . 2]" 1
805 1 38 LYS HA 1 42 ILE MG 4.400 . 7.000 5.828 5.663 5.906 . 0 0 "[ . 1 . 2]" 1
806 1 38 LYS QB 1 42 ILE HB 3.150 . 4.500 1.948 1.896 2.016 . 0 0 "[ . 1 . 2]" 1
807 1 38 LYS QB 1 42 ILE HA 3.900 . 6.000 4.595 4.315 4.809 . 0 0 "[ . 1 . 2]" 1
808 1 38 LYS QD 1 42 ILE HA 3.900 . 6.000 4.821 4.402 5.352 . 0 0 "[ . 1 . 2]" 1
809 1 38 LYS QD 1 42 ILE MG 3.900 . 6.000 2.647 2.268 3.194 . 0 0 "[ . 1 . 2]" 1
810 1 38 LYS QD 1 42 ILE MD 3.900 . 6.000 3.215 2.171 3.895 . 0 0 "[ . 1 . 2]" 1
811 1 38 LYS HE2 1 42 ILE MG 4.150 . 6.500 2.291 1.957 3.200 . 0 0 "[ . 1 . 2]" 1
812 1 38 LYS HE2 1 42 ILE MD 4.150 . 6.500 2.312 1.955 4.125 . 0 0 "[ . 1 . 2]" 1
813 1 38 LYS HE3 1 42 ILE MG 4.150 . 6.500 3.034 1.934 3.336 . 0 0 "[ . 1 . 2]" 1
814 1 38 LYS HE3 1 42 ILE MD 4.150 . 6.500 2.201 1.951 4.248 . 0 0 "[ . 1 . 2]" 1
815 1 38 LYS HE2 1 42 ILE HA 3.650 . 5.500 5.389 4.785 5.524 0.024 18 0 "[ . 1 . 2]" 1
816 1 38 LYS HE3 1 42 ILE HA 3.650 . 5.500 5.434 4.797 5.527 0.027 4 0 "[ . 1 . 2]" 1
817 1 38 LYS H 1 43 SER HA 2.650 . 3.500 3.495 3.376 3.530 0.030 7 0 "[ . 1 . 2]" 1
818 1 38 LYS QD 1 43 SER HA 4.150 . 6.500 4.549 4.067 5.728 . 0 0 "[ . 1 . 2]" 1
819 1 38 LYS QD 1 44 ILE HA 4.150 . 6.500 4.895 4.379 6.005 . 0 0 "[ . 1 . 2]" 1
820 1 38 LYS QG 1 44 ILE MD 3.900 . 6.000 2.316 1.906 3.667 . 0 0 "[ . 1 . 2]" 1
821 1 38 LYS QD 1 44 ILE QG 4.650 . 7.500 2.446 1.963 3.451 . 0 0 "[ . 1 . 2]" 1
822 1 38 LYS QD 1 44 ILE MD 3.900 . 6.000 1.909 1.716 2.575 0.084 20 0 "[ . 1 . 2]" 1
823 1 38 LYS HE2 1 44 ILE MD 4.400 . 7.000 3.670 1.998 4.240 . 0 0 "[ . 1 . 2]" 1
824 1 38 LYS HE3 1 44 ILE MD 4.400 . 7.000 4.087 2.193 4.478 . 0 0 "[ . 1 . 2]" 1
825 1 39 ASP H 1 39 ASP HA 2.300 . 2.800 2.903 2.886 2.913 0.113 16 0 "[ . 1 . 2]" 1
826 1 39 ASP H 1 40 GLY H 3.400 . 5.000 2.847 2.506 3.612 . 0 0 "[ . 1 . 2]" 1
827 1 39 ASP HA 1 40 GLY H 2.650 . 3.500 3.192 2.600 3.429 . 0 0 "[ . 1 . 2]" 1
828 1 39 ASP HB2 1 40 GLY H 3.400 . 5.000 3.921 3.387 4.685 . 0 0 "[ . 1 . 2]" 1
829 1 39 ASP HB3 1 40 GLY H 3.400 . 5.000 4.115 3.422 4.694 . 0 0 "[ . 1 . 2]" 1
830 1 39 ASP QB 1 40 GLY HA3 3.900 . 6.000 4.694 4.524 5.130 . 0 0 "[ . 1 . 2]" 1
831 1 39 ASP QB 1 40 GLY HA2 3.900 . 6.000 4.274 4.062 4.781 . 0 0 "[ . 1 . 2]" 1
832 1 39 ASP QB 1 41 ASP H 4.150 . 6.500 4.765 4.513 5.445 . 0 0 "[ . 1 . 2]" 1
833 1 40 GLY HA3 1 41 ASP H 2.650 . 3.500 3.515 3.512 3.522 0.022 2 0 "[ . 1 . 2]" 1
834 1 40 GLY HA2 1 41 ASP H 2.650 . 3.500 2.951 2.933 2.966 . 0 0 "[ . 1 . 2]" 1
835 1 40 GLY HA3 1 41 ASP HB2 3.650 . 5.500 4.482 4.471 4.513 . 0 0 "[ . 1 . 2]" 1
836 1 40 GLY HA2 1 41 ASP HB2 3.650 . 5.500 4.040 4.021 4.111 . 0 0 "[ . 1 . 2]" 1
837 1 40 GLY HA3 1 41 ASP HA 3.650 . 5.500 5.354 5.350 5.361 . 0 0 "[ . 1 . 2]" 1
838 1 40 GLY HA2 1 41 ASP HA 3.650 . 5.500 4.952 4.940 4.961 . 0 0 "[ . 1 . 2]" 1
839 1 40 GLY H 1 41 ASP H 2.650 . 3.500 2.657 1.959 2.913 . 0 0 "[ . 1 . 2]" 1
840 1 40 GLY H 1 42 ILE H 3.400 . 5.000 3.378 2.872 3.620 . 0 0 "[ . 1 . 2]" 1
841 1 40 GLY HA3 1 42 ILE H 3.400 . 5.000 4.432 4.305 4.545 . 0 0 "[ . 1 . 2]" 1
842 1 40 GLY HA2 1 42 ILE H 3.400 . 5.000 4.913 4.783 4.998 . 0 0 "[ . 1 . 2]" 1
843 1 40 GLY HA3 1 42 ILE HG12 3.650 . 5.500 4.308 4.258 4.355 . 0 0 "[ . 1 . 2]" 1
844 1 40 GLY HA2 1 42 ILE HG12 3.650 . 5.500 5.467 5.431 5.504 0.004 16 0 "[ . 1 . 2]" 1
845 1 40 GLY HA3 1 42 ILE HG13 3.650 . 5.500 2.905 2.863 2.993 . 0 0 "[ . 1 . 2]" 1
846 1 40 GLY HA2 1 42 ILE HG13 3.650 . 5.500 4.146 4.112 4.219 . 0 0 "[ . 1 . 2]" 1
847 1 40 GLY HA3 1 42 ILE MD 4.150 . 6.500 3.156 3.019 3.330 . 0 0 "[ . 1 . 2]" 1
848 1 40 GLY HA2 1 42 ILE MD 4.150 . 6.500 4.634 4.543 4.737 . 0 0 "[ . 1 . 2]" 1
849 1 41 ASP H 1 41 ASP HA 2.300 . 2.800 2.340 2.336 2.344 . 0 0 "[ . 1 . 2]" 1
850 1 41 ASP HA 1 41 ASP HB2 2.650 . 3.500 3.016 3.012 3.026 . 0 0 "[ . 1 . 2]" 1
851 1 41 ASP HA 1 41 ASP HB3 2.300 . 2.800 2.601 2.568 2.606 . 0 0 "[ . 1 . 2]" 1
852 1 41 ASP H 1 42 ILE H 2.300 . 2.800 2.753 2.689 2.788 . 0 0 "[ . 1 . 2]" 1
853 1 41 ASP H 1 42 ILE HA 3.650 . 5.500 5.356 5.336 5.369 . 0 0 "[ . 1 . 2]" 1
854 1 41 ASP H 1 42 ILE HB 3.400 . 5.000 5.053 5.030 5.081 0.081 17 0 "[ . 1 . 2]" 1
855 1 41 ASP H 1 42 ILE HG12 3.400 . 5.000 5.026 5.007 5.045 0.045 13 0 "[ . 1 . 2]" 1
856 1 41 ASP H 1 42 ILE HG13 3.400 . 5.000 3.759 3.708 3.812 . 0 0 "[ . 1 . 2]" 1
857 1 41 ASP H 1 42 ILE MD 4.400 . 7.000 5.082 5.007 5.167 . 0 0 "[ . 1 . 2]" 1
858 1 41 ASP HA 1 42 ILE H 2.650 . 3.500 2.733 2.698 2.784 . 0 0 "[ . 1 . 2]" 1
859 1 41 ASP HA 1 42 ILE HG12 3.400 . 5.000 5.037 5.029 5.046 0.046 11 0 "[ . 1 . 2]" 1
860 1 41 ASP HA 1 42 ILE HG13 3.400 . 5.000 4.467 4.412 4.530 . 0 0 "[ . 1 . 2]" 1
861 1 41 ASP HA 1 42 ILE MG 4.400 . 7.000 5.756 5.740 5.774 . 0 0 "[ . 1 . 2]" 1
862 1 41 ASP HA 1 42 ILE MD 4.400 . 7.000 5.784 5.745 5.831 . 0 0 "[ . 1 . 2]" 1
863 1 41 ASP HB2 1 42 ILE H 3.400 . 5.000 4.339 4.282 4.376 . 0 0 "[ . 1 . 2]" 1
864 1 41 ASP HB3 1 42 ILE H 3.400 . 5.000 4.383 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
865 1 41 ASP HB2 1 42 ILE HA 3.650 . 5.500 5.099 5.028 5.127 . 0 0 "[ . 1 . 2]" 1
866 1 41 ASP HB3 1 42 ILE HA 3.650 . 5.500 4.625 4.610 4.671 . 0 0 "[ . 1 . 2]" 1
867 1 41 ASP HB2 1 42 ILE MD 4.150 . 6.500 5.155 5.053 5.213 . 0 0 "[ . 1 . 2]" 1
868 1 41 ASP HB3 1 42 ILE MD 4.400 . 7.000 5.850 5.790 5.877 . 0 0 "[ . 1 . 2]" 1
869 1 41 ASP HB2 1 42 ILE HG12 3.400 . 5.000 4.344 4.211 4.405 . 0 0 "[ . 1 . 2]" 1
870 1 41 ASP HB3 1 42 ILE HG12 3.400 . 5.000 4.744 4.678 4.781 . 0 0 "[ . 1 . 2]" 1
871 1 41 ASP HB2 1 42 ILE HG13 3.400 . 5.000 4.210 4.106 4.273 . 0 0 "[ . 1 . 2]" 1
872 1 41 ASP HB3 1 42 ILE HG13 3.650 . 5.500 4.945 4.899 4.977 . 0 0 "[ . 1 . 2]" 1
873 1 42 ILE H 1 42 ILE HA 2.650 . 3.500 2.988 2.985 2.992 . 0 0 "[ . 1 . 2]" 1
874 1 42 ILE H 1 42 ILE HB 2.300 . 2.800 2.785 2.754 2.810 0.010 12 0 "[ . 1 . 2]" 1
875 1 42 ILE H 1 42 ILE HG12 2.650 . 3.500 3.553 3.532 3.574 0.074 14 0 "[ . 1 . 2]" 1
876 1 42 ILE H 1 42 ILE HG13 2.650 . 3.500 2.631 2.600 2.660 . 0 0 "[ . 1 . 2]" 1
877 1 42 ILE H 1 42 ILE MD 4.150 . 6.500 4.101 4.080 4.129 . 0 0 "[ . 1 . 2]" 1
878 1 42 ILE H 1 43 SER H 3.400 . 5.000 4.483 4.375 4.500 . 0 0 "[ . 1 . 2]" 1
879 1 42 ILE HA 1 42 ILE HB 2.650 . 3.500 3.023 3.010 3.027 . 0 0 "[ . 1 . 2]" 1
880 1 42 ILE HA 1 42 ILE HG12 2.650 . 3.500 2.556 2.518 2.594 . 0 0 "[ . 1 . 2]" 1
881 1 42 ILE HA 1 42 ILE HG13 2.650 . 3.500 3.313 3.298 3.336 . 0 0 "[ . 1 . 2]" 1
882 1 42 ILE HA 1 43 SER H 2.300 . 2.800 2.354 2.215 2.412 . 0 0 "[ . 1 . 2]" 1
883 1 42 ILE HA 1 43 SER HA 3.400 . 5.000 4.470 4.443 4.497 . 0 0 "[ . 1 . 2]" 1
884 1 42 ILE HA 1 43 SER QB 3.900 . 6.000 4.407 4.211 4.638 . 0 0 "[ . 1 . 2]" 1
885 1 42 ILE HB 1 43 SER H 3.400 . 5.000 3.658 3.535 4.053 . 0 0 "[ . 1 . 2]" 1
886 1 42 ILE HG12 1 43 SER H 3.400 . 5.000 4.493 4.421 4.621 . 0 0 "[ . 1 . 2]" 1
887 1 42 ILE HG13 1 43 SER H 3.650 . 5.500 5.123 5.065 5.271 . 0 0 "[ . 1 . 2]" 1
888 1 42 ILE MG 1 43 SER H 4.150 . 6.500 1.999 1.908 2.495 . 0 0 "[ . 1 . 2]" 1
889 1 42 ILE MD 1 43 SER H 4.150 . 6.500 4.691 4.562 5.080 . 0 0 "[ . 1 . 2]" 1
890 1 43 SER H 1 43 SER HA 2.650 . 3.500 2.991 2.970 2.996 . 0 0 "[ . 1 . 2]" 1
891 1 43 SER H 1 43 SER QB 2.800 . 3.800 2.553 2.358 2.803 . 0 0 "[ . 1 . 2]" 1
892 1 43 SER H 1 44 ILE H 3.400 . 5.000 4.513 4.475 4.579 . 0 0 "[ . 1 . 2]" 1
893 1 43 SER HA 1 44 ILE H 2.300 . 2.800 2.419 2.250 2.484 . 0 0 "[ . 1 . 2]" 1
894 1 43 SER HA 1 44 ILE HA 3.650 . 5.500 4.546 4.471 4.578 . 0 0 "[ . 1 . 2]" 1
895 1 43 SER HA 1 44 ILE HB 3.400 . 5.000 4.436 4.319 4.882 . 0 0 "[ . 1 . 2]" 1
896 1 43 SER HA 1 44 ILE HG12 3.400 . 5.000 4.615 3.192 4.944 . 0 0 "[ . 1 . 2]" 1
897 1 43 SER HA 1 44 ILE HG13 3.400 . 5.000 3.665 3.249 5.053 0.053 20 0 "[ . 1 . 2]" 1
898 1 43 SER HA 1 44 ILE MG 4.150 . 6.500 5.414 5.365 5.444 . 0 0 "[ . 1 . 2]" 1
899 1 43 SER H 1 44 ILE HG12 3.400 . 5.000 5.015 4.623 5.053 0.053 4 0 "[ . 1 . 2]" 1
900 1 43 SER QB 1 44 ILE H 3.900 . 6.000 2.478 2.303 2.910 . 0 0 "[ . 1 . 2]" 1
901 1 43 SER HB2 1 44 ILE HA 3.400 . 5.000 4.641 4.305 4.988 . 0 0 "[ . 1 . 2]" 1
902 1 43 SER HB3 1 44 ILE HA 3.400 . 5.000 4.453 4.198 4.774 . 0 0 "[ . 1 . 2]" 1
903 1 44 ILE H 1 44 ILE HA 2.650 . 3.500 2.966 2.953 2.997 . 0 0 "[ . 1 . 2]" 1
904 1 44 ILE H 1 44 ILE HB 2.300 . 2.800 2.794 2.732 2.867 0.067 20 0 "[ . 1 . 2]" 1
905 1 44 ILE H 1 44 ILE MD 4.150 . 6.500 4.209 3.301 4.433 . 0 0 "[ . 1 . 2]" 1
906 1 44 ILE HA 1 44 ILE HB 2.650 . 3.500 3.025 3.004 3.033 . 0 0 "[ . 1 . 2]" 1
907 1 44 ILE HA 1 46 GLU QG 3.900 . 6.000 4.609 4.257 5.158 . 0 0 "[ . 1 . 2]" 1
908 1 44 ILE HB 1 46 GLU QG 3.900 . 6.000 4.187 3.568 4.766 . 0 0 "[ . 1 . 2]" 1
909 1 44 ILE MG 1 46 GLU HA 4.150 . 6.500 4.319 4.142 4.690 . 0 0 "[ . 1 . 2]" 1
910 1 44 ILE MG 1 46 GLU QB 4.650 . 7.500 4.012 3.790 4.406 . 0 0 "[ . 1 . 2]" 1
911 1 44 ILE MG 1 46 GLU QG 3.900 . 6.000 2.159 1.909 2.500 . 0 0 "[ . 1 . 2]" 1
912 1 45 LEU H 1 45 LEU HA 2.300 . 2.800 2.919 2.893 2.938 0.138 9 0 "[ . 1 . 2]" 1
913 1 45 LEU H 1 45 LEU HB2 2.650 . 3.500 2.799 2.494 3.379 . 0 0 "[ . 1 . 2]" 1
914 1 45 LEU H 1 45 LEU HB3 2.650 . 3.500 2.758 2.568 3.184 . 0 0 "[ . 1 . 2]" 1
915 1 45 LEU H 1 45 LEU HG 3.400 . 5.000 4.478 4.404 4.627 . 0 0 "[ . 1 . 2]" 1
916 1 45 LEU H 1 45 LEU QD 4.850 . 7.900 3.834 3.726 4.065 . 0 0 "[ . 1 . 2]" 1
917 1 45 LEU HA 1 45 LEU HB2 2.650 . 3.500 2.537 2.495 2.590 . 0 0 "[ . 1 . 2]" 1
918 1 45 LEU HA 1 45 LEU HB3 2.650 . 3.500 3.019 3.008 3.026 . 0 0 "[ . 1 . 2]" 1
919 1 45 LEU HA 1 45 LEU HG 2.650 . 3.500 2.252 2.134 2.411 . 0 0 "[ . 1 . 2]" 1
920 1 45 LEU HA 1 46 GLU H 2.300 . 2.800 2.192 2.158 2.225 . 0 0 "[ . 1 . 2]" 1
921 1 45 LEU HA 1 46 GLU HA 3.400 . 5.000 4.471 4.454 4.491 . 0 0 "[ . 1 . 2]" 1
922 1 45 LEU HA 1 46 GLU QB 4.150 . 6.500 4.601 4.568 4.647 . 0 0 "[ . 1 . 2]" 1
923 1 45 LEU HB2 1 46 GLU H 3.400 . 5.000 4.531 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
924 1 45 LEU HB3 1 46 GLU H 3.400 . 5.000 4.335 4.289 4.417 . 0 0 "[ . 1 . 2]" 1
925 1 45 LEU HG 1 46 GLU H 3.400 . 5.000 3.214 2.995 3.424 . 0 0 "[ . 1 . 2]" 1
926 1 45 LEU QD 1 46 GLU H 4.850 . 7.900 3.576 3.252 3.950 . 0 0 "[ . 1 . 2]" 1
927 1 46 GLU H 1 46 GLU HA 2.650 . 3.500 2.979 2.966 2.990 . 0 0 "[ . 1 . 2]" 1
928 1 46 GLU H 1 46 GLU QG 3.900 . 6.000 2.391 2.149 2.860 . 0 0 "[ . 1 . 2]" 1
929 1 46 GLU HA 1 47 LEU H 2.300 . 2.800 2.264 2.211 2.355 . 0 0 "[ . 1 . 2]" 1
930 1 46 GLU HA 1 47 LEU HA 3.400 . 5.000 4.484 4.453 4.540 . 0 0 "[ . 1 . 2]" 1
931 1 46 GLU HA 1 47 LEU QB 3.900 . 6.000 4.532 4.405 4.725 . 0 0 "[ . 1 . 2]" 1
932 1 46 GLU QB 1 47 LEU H 3.900 . 6.000 3.163 2.741 3.698 . 0 0 "[ . 1 . 2]" 1
933 1 46 GLU QG 1 47 LEU H 3.900 . 6.000 4.339 4.197 4.504 . 0 0 "[ . 1 . 2]" 1
934 1 47 LEU HA 1 47 LEU HB2 2.300 . 2.800 2.521 2.441 2.537 . 0 0 "[ . 1 . 2]" 1
935 1 47 LEU HA 1 47 LEU HB3 2.300 . 2.800 2.412 2.400 2.473 . 0 0 "[ . 1 . 2]" 1
936 1 47 LEU H 1 47 LEU HB3 2.650 . 3.500 3.254 2.851 3.493 . 0 0 "[ . 1 . 2]" 1
937 1 47 LEU H 1 47 LEU HA 2.650 . 3.500 2.976 2.950 2.992 . 0 0 "[ . 1 . 2]" 1
938 1 47 LEU H 1 47 LEU HG 2.650 . 3.500 2.386 2.223 2.565 . 0 0 "[ . 1 . 2]" 1
939 1 47 LEU H 1 48 ASN H 3.400 . 5.000 4.340 4.181 4.521 . 0 0 "[ . 1 . 2]" 1
940 1 47 LEU HA 1 48 ASN H 2.300 . 2.800 2.181 2.155 2.196 . 0 0 "[ . 1 . 2]" 1
941 1 47 LEU HA 1 48 ASN HA 3.400 . 5.000 4.435 4.428 4.447 . 0 0 "[ . 1 . 2]" 1
942 1 47 LEU HA 1 48 ASN QB 3.900 . 6.000 4.533 4.452 4.575 . 0 0 "[ . 1 . 2]" 1
943 1 47 LEU HG 1 49 VAL H 3.650 . 5.500 5.559 5.542 5.573 0.073 7 0 "[ . 1 . 2]" 1
944 1 48 ASN H 1 48 ASN HA 2.650 . 3.500 2.947 2.944 2.953 . 0 0 "[ . 1 . 2]" 1
945 1 48 ASN H 1 48 ASN HB2 2.300 . 2.800 2.592 2.501 2.637 . 0 0 "[ . 1 . 2]" 1
946 1 48 ASN H 1 48 ASN HB3 2.650 . 3.500 3.636 3.624 3.644 0.144 12 0 "[ . 1 . 2]" 1
947 1 48 ASN H 1 49 VAL H 3.400 . 5.000 4.583 4.570 4.593 . 0 0 "[ . 1 . 2]" 1
948 1 48 ASN HA 1 48 ASN HB2 2.650 . 3.500 3.022 3.016 3.026 . 0 0 "[ . 1 . 2]" 1
949 1 48 ASN HA 1 48 ASN HB3 2.300 . 2.800 2.397 2.380 2.431 . 0 0 "[ . 1 . 2]" 1
950 1 48 ASN HA 1 49 VAL H 2.300 . 2.800 2.258 2.242 2.274 . 0 0 "[ . 1 . 2]" 1
951 1 48 ASN HB2 1 49 VAL H 3.400 . 5.000 3.892 3.831 3.976 . 0 0 "[ . 1 . 2]" 1
952 1 48 ASN HB3 1 49 VAL H 3.400 . 5.000 3.071 3.034 3.120 . 0 0 "[ . 1 . 2]" 1
953 1 48 ASN HA 1 49 VAL QG 3.750 . 5.700 3.313 3.229 3.458 . 0 0 "[ . 1 . 2]" 1
954 1 48 ASN HB2 1 49 VAL QG 4.100 . 6.400 4.642 4.581 4.681 . 0 0 "[ . 1 . 2]" 1
955 1 48 ASN HB3 1 49 VAL QG 4.100 . 6.400 4.619 4.584 4.658 . 0 0 "[ . 1 . 2]" 1
956 1 49 VAL H 1 49 VAL HA 2.650 . 3.500 2.992 2.989 2.993 . 0 0 "[ . 1 . 2]" 1
957 1 49 VAL H 1 49 VAL HB 2.650 . 3.500 2.764 2.719 2.802 . 0 0 "[ . 1 . 2]" 1
958 1 49 VAL H 1 50 THR H 3.400 . 5.000 3.867 3.712 4.066 . 0 0 "[ . 1 . 2]" 1
959 1 49 VAL HA 1 50 THR H 2.300 . 2.800 2.273 2.201 2.327 . 0 0 "[ . 1 . 2]" 1
960 1 49 VAL HB 1 50 THR H 3.400 . 5.000 4.411 4.329 4.437 . 0 0 "[ . 1 . 2]" 1
961 1 49 VAL QG 1 50 THR H 4.850 . 7.900 3.286 3.131 3.402 . 0 0 "[ . 1 . 2]" 1
962 1 50 THR H 1 50 THR HB 2.300 . 2.800 2.543 2.433 2.572 . 0 0 "[ . 1 . 2]" 1
963 1 50 THR H 1 50 THR HA 2.650 . 3.500 2.928 2.901 2.962 . 0 0 "[ . 1 . 2]" 1
964 1 50 THR H 1 51 LEU H 3.650 . 5.500 4.249 4.089 4.335 . 0 0 "[ . 1 . 2]" 1
965 1 50 THR HB 1 51 LEU H 3.400 . 5.000 4.427 4.379 4.472 . 0 0 "[ . 1 . 2]" 1
966 1 50 THR HA 1 51 LEU H 2.300 . 2.800 2.254 2.204 2.316 . 0 0 "[ . 1 . 2]" 1
967 1 50 THR MG 1 51 LEU H 4.150 . 6.500 3.290 3.041 3.520 . 0 0 "[ . 1 . 2]" 1
968 1 50 THR MG 1 51 LEU HA 4.150 . 6.500 4.226 4.112 4.446 . 0 0 "[ . 1 . 2]" 1
969 1 50 THR MG 1 52 PRO QG 4.650 . 7.500 5.333 5.082 5.431 . 0 0 "[ . 1 . 2]" 1
970 1 51 LEU H 1 51 LEU HA 2.650 . 3.500 2.938 2.903 2.955 . 0 0 "[ . 1 . 2]" 1
971 1 51 LEU HA 1 51 LEU HB2 2.650 . 3.500 3.033 3.022 3.037 . 0 0 "[ . 1 . 2]" 1
972 1 51 LEU HA 1 51 LEU HB3 2.300 . 2.800 2.497 2.421 2.608 . 0 0 "[ . 1 . 2]" 1
973 1 51 LEU H 1 51 LEU HB2 2.300 . 2.800 2.423 2.278 2.562 . 0 0 "[ . 1 . 2]" 1
974 1 51 LEU H 1 51 LEU HB3 2.650 . 3.500 3.608 3.567 3.636 0.136 5 0 "[ . 1 . 2]" 1
975 1 51 LEU H 1 52 PRO QD 3.900 . 6.000 4.392 4.365 4.402 . 0 0 "[ . 1 . 2]" 1
976 1 51 LEU HA 1 52 PRO QG 3.900 . 6.000 3.896 3.879 3.913 . 0 0 "[ . 1 . 2]" 1
977 1 51 LEU HA 1 52 PRO QB 3.900 . 6.000 4.595 4.589 4.608 . 0 0 "[ . 1 . 2]" 1
978 1 51 LEU HA 1 52 PRO HD2 2.300 . 2.800 2.619 2.548 2.662 . 0 0 "[ . 1 . 2]" 1
979 1 51 LEU HA 1 52 PRO HD3 2.300 . 2.800 1.984 1.963 2.022 . 0 0 "[ . 1 . 2]" 1
980 1 51 LEU HB2 1 52 PRO HD2 3.400 . 5.000 4.254 4.094 4.421 . 0 0 "[ . 1 . 2]" 1
981 1 51 LEU HB2 1 52 PRO HD3 3.400 . 5.000 4.649 4.576 4.777 . 0 0 "[ . 1 . 2]" 1
982 1 51 LEU HB3 1 52 PRO HD2 3.400 . 5.000 2.816 2.730 2.970 . 0 0 "[ . 1 . 2]" 1
983 1 51 LEU HB3 1 52 PRO HD3 3.400 . 5.000 3.659 3.582 3.858 . 0 0 "[ . 1 . 2]" 1
984 1 51 LEU HG 1 52 PRO HD2 3.650 . 5.500 4.791 4.355 5.199 . 0 0 "[ . 1 . 2]" 1
985 1 51 LEU QD 1 52 PRO HD2 4.100 . 6.400 2.932 2.282 3.312 . 0 0 "[ . 1 . 2]" 1
986 1 51 LEU QD 1 52 PRO HD3 4.100 . 6.400 3.278 2.786 3.510 . 0 0 "[ . 1 . 2]" 1
987 1 52 PRO HA 1 53 GLU H 2.300 . 2.800 2.609 2.495 2.705 . 0 0 "[ . 1 . 2]" 1
988 1 53 GLU H 1 53 GLU HA 2.300 . 2.800 2.840 2.815 2.860 0.060 6 0 "[ . 1 . 2]" 1
989 1 53 GLU H 1 53 GLU QG 3.900 . 6.000 2.980 2.027 3.186 . 0 0 "[ . 1 . 2]" 1
990 1 53 GLU H 1 54 ALA MB 4.150 . 6.500 5.066 4.775 5.278 . 0 0 "[ . 1 . 2]" 1
991 1 53 GLU HA 1 54 ALA H 2.300 . 2.800 2.626 2.282 2.752 . 0 0 "[ . 1 . 2]" 1
992 1 53 GLU HA 1 54 ALA MB 3.400 . 5.000 3.782 3.724 3.871 . 0 0 "[ . 1 . 2]" 1
993 1 53 GLU HB2 1 54 ALA HA 3.400 . 5.000 4.966 3.973 5.045 0.045 20 0 "[ . 1 . 2]" 1
994 1 53 GLU HB3 1 54 ALA HA 3.400 . 5.000 3.898 3.820 4.543 . 0 0 "[ . 1 . 2]" 1
995 1 53 GLU QG 1 54 ALA HA 3.900 . 6.000 5.339 5.301 5.568 . 0 0 "[ . 1 . 2]" 1
996 1 53 GLU QB 1 54 ALA MB 4.650 . 7.500 4.125 4.027 4.195 . 0 0 "[ . 1 . 2]" 1
997 1 53 GLU QG 1 54 ALA MB 4.650 . 7.500 4.809 4.598 5.271 . 0 0 "[ . 1 . 2]" 1
998 1 53 GLU QB 1 54 ALA H 3.150 . 4.500 2.186 1.976 2.879 . 0 0 "[ . 1 . 2]" 1
999 1 53 GLU QG 1 54 ALA H 3.900 . 6.000 3.020 2.831 4.047 . 0 0 "[ . 1 . 2]" 1
1000 1 54 ALA H 1 54 ALA HA 2.300 . 2.800 2.846 2.830 2.896 0.096 8 0 "[ . 1 . 2]" 1
1001 1 54 ALA HA 1 55 GLU H 2.300 . 2.800 2.385 2.191 2.832 0.032 10 0 "[ . 1 . 2]" 1
1002 1 54 ALA MB 1 55 GLU H 4.150 . 6.500 2.916 1.996 3.685 . 0 0 "[ . 1 . 2]" 1
1003 1 54 ALA MB 1 55 GLU HA 4.150 . 6.500 4.043 3.753 4.503 . 0 0 "[ . 1 . 2]" 1
1004 1 54 ALA MB 1 56 GLU H 4.150 . 6.500 4.377 2.681 5.390 . 0 0 "[ . 1 . 2]" 1
1005 1 54 ALA MB 1 57 LEU H 4.150 . 6.500 4.869 3.567 5.401 . 0 0 "[ . 1 . 2]" 1
1006 1 55 GLU H 1 55 GLU HA 2.300 . 2.800 2.857 2.839 2.925 0.125 16 0 "[ . 1 . 2]" 1
1007 1 55 GLU H 1 55 GLU QG 3.900 . 6.000 3.492 2.061 4.356 . 0 0 "[ . 1 . 2]" 1
1008 1 55 GLU HA 1 57 LEU QD 4.850 . 7.900 4.936 3.041 5.902 . 0 0 "[ . 1 . 2]" 1
1009 1 56 GLU H 1 56 GLU HA 2.300 . 2.800 2.582 2.341 2.920 0.120 12 0 "[ . 1 . 2]" 1
1010 1 56 GLU H 1 56 GLU QG 3.900 . 6.000 3.839 2.303 4.435 . 0 0 "[ . 1 . 2]" 1
1011 1 56 GLU H 1 57 LEU H 2.650 . 3.500 2.740 1.984 3.528 0.028 9 0 "[ . 1 . 2]" 1
1012 1 56 GLU QB 1 57 LEU H 3.150 . 4.500 3.866 2.934 4.054 . 0 0 "[ . 1 . 2]" 1
1013 1 56 GLU QG 1 57 LEU H 3.900 . 6.000 4.223 3.630 4.674 . 0 0 "[ . 1 . 2]" 1
1014 1 56 GLU QB 1 57 LEU HA 3.900 . 6.000 4.409 4.108 4.605 . 0 0 "[ . 1 . 2]" 1
1015 1 56 GLU QG 1 57 LEU HA 3.900 . 6.000 4.580 3.916 5.298 . 0 0 "[ . 1 . 2]" 1
1016 1 57 LEU H 1 57 LEU QD 4.850 . 7.900 3.243 2.114 4.003 . 0 0 "[ . 1 . 2]" 1
1017 1 57 LEU HA 1 58 LYS H 2.300 . 2.800 2.306 2.182 2.803 0.003 12 0 "[ . 1 . 2]" 1
1018 1 57 LEU QD 1 58 LYS H 4.850 . 7.900 3.214 1.961 4.441 . 0 0 "[ . 1 . 2]" 1
1019 1 57 LEU QD 1 58 LYS HA 4.850 . 7.900 4.398 3.111 5.364 . 0 0 "[ . 1 . 2]" 1
1020 1 57 LEU H 1 58 LYS H 3.400 . 5.000 4.299 2.797 4.630 . 0 0 "[ . 1 . 2]" 1
1021 1 58 LYS H 1 58 LYS QG 3.900 . 6.000 3.191 2.025 4.215 . 0 0 "[ . 1 . 2]" 1
1022 2 1 ARG HA 2 1 ARG QD 3.150 . 4.500 3.434 1.983 4.082 . 0 0 "[ . 1 . 2]" 1
1023 2 1 ARG HB2 2 2 SER H 3.400 . 5.000 4.395 3.505 4.697 . 0 0 "[ . 1 . 2]" 1
1024 2 1 ARG HB3 2 2 SER H 3.400 . 5.000 4.208 1.960 4.403 . 0 0 "[ . 1 . 2]" 1
1025 2 1 ARG QG 2 2 SER H 3.900 . 6.000 3.908 3.039 4.341 . 0 0 "[ . 1 . 2]" 1
1026 2 1 ARG QG 2 2 SER HA 3.900 . 6.000 4.990 4.351 5.250 . 0 0 "[ . 1 . 2]" 1
1027 2 1 ARG QG 2 2 SER QB 4.650 . 7.500 5.249 4.404 5.629 . 0 0 "[ . 1 . 2]" 1
1028 2 1 ARG HA 2 3 ASP H 2.650 . 3.500 3.335 3.116 3.661 0.161 19 0 "[ . 1 . 2]" 1
1029 2 1 ARG QG 2 3 ASP H 3.900 . 6.000 3.120 2.172 3.787 . 0 0 "[ . 1 . 2]" 1
1030 2 1 ARG QG 2 3 ASP HA 3.900 . 6.000 5.004 4.531 5.401 . 0 0 "[ . 1 . 2]" 1
1031 2 1 ARG QG 2 3 ASP QB 4.400 . 7.000 3.634 2.560 4.556 . 0 0 "[ . 1 . 2]" 1
1032 2 1 ARG HA 2 4 ALA MB 4.150 . 6.500 4.445 3.977 4.862 . 0 0 "[ . 1 . 2]" 1
1033 2 1 ARG HB2 2 4 ALA MB 4.150 . 6.500 3.623 3.368 3.890 . 0 0 "[ . 1 . 2]" 1
1034 2 1 ARG HB3 2 4 ALA MB 4.150 . 6.500 2.672 1.973 4.361 . 0 0 "[ . 1 . 2]" 1
1035 2 1 ARG QG 2 4 ALA MB 4.650 . 7.500 2.339 1.779 4.009 0.021 19 0 "[ . 1 . 2]" 1
1036 2 2 SER H 2 2 SER HA 2.300 . 2.800 2.819 2.321 2.860 0.060 2 0 "[ . 1 . 2]" 1
1037 2 2 SER H 2 2 SER HB2 2.650 . 3.500 2.803 2.566 3.625 0.125 19 0 "[ . 1 . 2]" 1
1038 2 2 SER HA 2 2 SER HB2 2.650 . 3.500 3.014 3.007 3.029 . 0 0 "[ . 1 . 2]" 1
1039 2 2 SER HA 2 2 SER HB3 2.300 . 2.800 2.375 2.349 2.457 . 0 0 "[ . 1 . 2]" 1
1040 2 2 SER H 2 3 ASP H 2.650 . 3.500 2.743 2.624 3.528 0.028 19 0 "[ . 1 . 2]" 1
1041 2 2 SER HA 2 3 ASP QB 4.150 . 6.500 5.504 5.453 5.541 . 0 0 "[ . 1 . 2]" 1
1042 2 2 SER HB2 2 3 ASP H 3.400 . 5.000 3.074 2.609 3.226 . 0 0 "[ . 1 . 2]" 1
1043 2 2 SER HB3 2 3 ASP H 3.400 . 5.000 4.162 3.651 4.241 . 0 0 "[ . 1 . 2]" 1
1044 2 2 SER HB2 2 3 ASP HA 3.400 . 5.000 4.254 4.167 4.416 . 0 0 "[ . 1 . 2]" 1
1045 2 2 SER HB3 2 3 ASP HA 3.400 . 5.000 4.809 4.447 4.886 . 0 0 "[ . 1 . 2]" 1
1046 2 2 SER QB 2 3 ASP QB 4.650 . 7.500 4.447 3.990 4.739 . 0 0 "[ . 1 . 2]" 1
1047 2 2 SER HB2 2 4 ALA H 3.650 . 5.500 4.922 4.764 5.030 . 0 0 "[ . 1 . 2]" 1
1048 2 2 SER HA 2 4 ALA MB 4.150 . 6.500 4.369 4.278 4.675 . 0 0 "[ . 1 . 2]" 1
1049 2 2 SER QB 2 4 ALA MB 4.650 . 7.500 5.489 5.440 5.523 . 0 0 "[ . 1 . 2]" 1
1050 2 2 SER HA 2 5 GLU QB 3.900 . 6.000 5.235 4.768 5.341 . 0 0 "[ . 1 . 2]" 1
1051 2 2 SER HA 2 5 GLU HG2 3.650 . 5.500 3.780 3.485 3.927 . 0 0 "[ . 1 . 2]" 1
1052 2 2 SER HA 2 5 GLU HG3 3.650 . 5.500 3.777 3.209 3.881 . 0 0 "[ . 1 . 2]" 1
1053 2 2 SER QB 2 5 GLU H 3.900 . 6.000 5.166 5.086 5.258 . 0 0 "[ . 1 . 2]" 1
1054 2 2 SER QB 2 5 GLU QB 4.400 . 7.000 5.427 5.367 5.466 . 0 0 "[ . 1 . 2]" 1
1055 2 2 SER QB 2 5 GLU QG 4.400 . 7.000 4.048 3.916 4.151 . 0 0 "[ . 1 . 2]" 1
1056 2 2 SER HA 2 6 PRO QD 3.900 . 6.000 5.360 5.081 5.393 . 0 0 "[ . 1 . 2]" 1
1057 2 2 SER HA 2 35 LEU QD 4.850 . 7.900 4.719 4.181 5.199 . 0 0 "[ . 1 . 2]" 1
1058 2 2 SER QB 2 35 LEU HG 4.150 . 6.500 4.895 4.214 5.506 . 0 0 "[ . 1 . 2]" 1
1059 2 2 SER QB 2 35 LEU QD 5.350 . 8.900 2.487 2.059 2.938 . 0 0 "[ . 1 . 2]" 1
1060 2 3 ASP H 2 3 ASP HA 2.300 . 2.800 2.921 2.888 2.928 0.128 8 0 "[ . 1 . 2]" 1
1061 2 3 ASP H 2 4 ALA H 2.300 . 2.800 2.726 2.703 2.753 . 0 0 "[ . 1 . 2]" 1
1062 2 3 ASP H 2 4 ALA MB 4.150 . 6.500 4.129 4.043 4.263 . 0 0 "[ . 1 . 2]" 1
1063 2 3 ASP HA 2 4 ALA H 2.650 . 3.500 3.204 3.173 3.315 . 0 0 "[ . 1 . 2]" 1
1064 2 3 ASP HA 2 4 ALA MB 3.900 . 6.000 4.835 4.811 4.901 . 0 0 "[ . 1 . 2]" 1
1065 2 3 ASP QB 2 4 ALA MB 4.650 . 7.500 4.534 4.312 4.883 . 0 0 "[ . 1 . 2]" 1
1066 2 3 ASP QB 2 5 GLU QG 4.400 . 7.000 5.655 5.642 5.667 . 0 0 "[ . 1 . 2]" 1
1067 2 3 ASP H 2 5 GLU H 3.400 . 5.000 4.599 4.540 4.635 . 0 0 "[ . 1 . 2]" 1
1068 2 3 ASP HA 2 5 GLU QB 3.900 . 6.000 4.478 4.432 4.526 . 0 0 "[ . 1 . 2]" 1
1069 2 3 ASP HA 2 5 GLU HG2 3.400 . 5.000 4.990 4.881 5.022 0.022 8 0 "[ . 1 . 2]" 1
1070 2 3 ASP HA 2 5 GLU HG3 3.400 . 5.000 4.825 4.722 5.003 0.003 19 0 "[ . 1 . 2]" 1
1071 2 3 ASP HA 2 6 PRO HG2 3.400 . 5.000 3.769 3.628 3.860 . 0 0 "[ . 1 . 2]" 1
1072 2 3 ASP HA 2 6 PRO HG3 3.400 . 5.000 3.738 3.651 3.807 . 0 0 "[ . 1 . 2]" 1
1073 2 3 ASP QB 2 6 PRO HG2 3.900 . 6.000 3.883 3.791 4.023 . 0 0 "[ . 1 . 2]" 1
1074 2 3 ASP QB 2 6 PRO HG3 3.900 . 6.000 4.576 4.484 4.718 . 0 0 "[ . 1 . 2]" 1
1075 2 3 ASP QB 2 6 PRO QB 4.400 . 7.000 5.469 5.410 5.572 . 0 0 "[ . 1 . 2]" 1
1076 2 3 ASP QB 2 10 PRO QG 4.400 . 7.000 2.433 1.976 2.748 . 0 0 "[ . 1 . 2]" 1
1077 2 3 ASP HA 2 35 LEU QD 4.100 . 6.400 3.975 3.516 4.389 . 0 0 "[ . 1 . 2]" 1
1078 2 3 ASP QB 2 35 LEU QD 4.600 . 7.400 3.693 2.797 4.378 . 0 0 "[ . 1 . 2]" 1
1079 2 4 ALA H 2 4 ALA HA 2.300 . 2.800 2.933 2.932 2.936 0.136 8 0 "[ . 1 . 2]" 1
1080 2 4 ALA H 2 5 GLU H 2.650 . 3.500 2.338 2.259 2.492 . 0 0 "[ . 1 . 2]" 1
1081 2 4 ALA H 2 5 GLU QB 4.150 . 6.500 4.604 4.542 4.678 . 0 0 "[ . 1 . 2]" 1
1082 2 4 ALA HA 2 5 GLU H 2.650 . 3.500 3.401 3.290 3.443 . 0 0 "[ . 1 . 2]" 1
1083 2 4 ALA HA 2 5 GLU QB 4.150 . 6.500 5.392 5.368 5.423 . 0 0 "[ . 1 . 2]" 1
1084 2 4 ALA MB 2 5 GLU HG2 4.150 . 6.500 3.630 3.536 3.702 . 0 0 "[ . 1 . 2]" 1
1085 2 4 ALA MB 2 5 GLU HG3 4.150 . 6.500 4.985 4.911 5.098 . 0 0 "[ . 1 . 2]" 1
1086 2 4 ALA MB 2 5 GLU HA 4.150 . 6.500 3.952 3.837 4.021 . 0 0 "[ . 1 . 2]" 1
1087 2 4 ALA HA 2 6 PRO HD3 3.400 . 5.000 4.663 4.533 4.866 . 0 0 "[ . 1 . 2]" 1
1088 2 4 ALA MB 2 6 PRO HD2 4.150 . 6.500 4.233 4.108 4.394 . 0 0 "[ . 1 . 2]" 1
1089 2 4 ALA MB 2 6 PRO HD3 4.150 . 6.500 4.969 4.861 5.191 . 0 0 "[ . 1 . 2]" 1
1090 2 4 ALA MB 2 7 HIS HA 4.150 . 6.500 4.770 4.617 5.031 . 0 0 "[ . 1 . 2]" 1
1091 2 4 ALA MB 2 7 HIS QB 4.650 . 7.500 4.970 4.645 5.274 . 0 0 "[ . 1 . 2]" 1
1092 2 4 ALA MB 2 10 PRO QD 4.650 . 7.500 5.580 5.434 5.638 . 0 0 "[ . 1 . 2]" 1
1093 2 5 GLU H 2 5 GLU HG2 3.400 . 5.000 2.043 1.970 2.234 . 0 0 "[ . 1 . 2]" 1
1094 2 5 GLU H 2 5 GLU HG3 3.400 . 5.000 2.949 2.846 3.194 . 0 0 "[ . 1 . 2]" 1
1095 2 5 GLU QB 2 6 PRO HD2 3.150 . 4.500 3.334 3.251 3.359 . 0 0 "[ . 1 . 2]" 1
1096 2 5 GLU QB 2 6 PRO HD3 3.150 . 4.500 1.909 1.880 1.927 . 0 0 "[ . 1 . 2]" 1
1097 2 5 GLU HG2 2 6 PRO HD2 3.400 . 5.000 4.395 4.273 4.451 . 0 0 "[ . 1 . 2]" 1
1098 2 5 GLU HG3 2 6 PRO HD2 3.400 . 5.000 4.826 4.749 4.943 . 0 0 "[ . 1 . 2]" 1
1099 2 5 GLU HG2 2 6 PRO HD3 3.400 . 5.000 3.730 3.678 3.782 . 0 0 "[ . 1 . 2]" 1
1100 2 5 GLU HG3 2 6 PRO HD3 3.400 . 5.000 3.568 3.469 3.702 . 0 0 "[ . 1 . 2]" 1
1101 2 6 PRO HG2 2 7 HIS H 3.400 . 5.000 2.470 2.364 2.510 . 0 0 "[ . 1 . 2]" 1
1102 2 6 PRO QG 2 7 HIS HA 3.900 . 6.000 4.326 4.281 4.349 . 0 0 "[ . 1 . 2]" 1
1103 2 6 PRO HA 2 8 TYR CG 3.650 . 5.500 4.770 4.688 4.850 . 0 0 "[ . 1 . 2]" 1
1104 2 6 PRO HA 2 8 TYR CZ 3.300 . 4.800 3.650 3.467 3.776 . 0 0 "[ . 1 . 2]" 1
1105 2 6 PRO QB 2 8 TYR CG 4.150 . 6.500 2.976 2.901 3.172 . 0 0 "[ . 1 . 2]" 1
1106 2 6 PRO QB 2 8 TYR CZ 4.150 . 6.500 2.342 2.271 2.588 . 0 0 "[ . 1 . 2]" 1
1107 2 6 PRO HG2 2 8 TYR CG 4.400 . 7.000 4.873 4.768 5.116 . 0 0 "[ . 1 . 2]" 1
1108 2 6 PRO HG3 2 8 TYR CG 4.400 . 7.000 5.653 5.547 5.894 . 0 0 "[ . 1 . 2]" 1
1109 2 6 PRO HG2 2 8 TYR CZ 4.400 . 7.000 4.704 4.606 5.033 . 0 0 "[ . 1 . 2]" 1
1110 2 6 PRO HG3 2 8 TYR CZ 4.400 . 7.000 4.535 4.415 4.917 . 0 0 "[ . 1 . 2]" 1
1111 2 6 PRO QB 2 8 TYR H 3.900 . 6.000 2.240 2.224 2.254 . 0 0 "[ . 1 . 2]" 1
1112 2 6 PRO QD 2 8 TYR H 3.900 . 6.000 4.198 4.127 4.342 . 0 0 "[ . 1 . 2]" 1
1113 2 6 PRO HG2 2 8 TYR H 2.650 . 3.500 3.140 3.053 3.322 . 0 0 "[ . 1 . 2]" 1
1114 2 6 PRO HG3 2 8 TYR H 3.400 . 5.000 4.511 4.447 4.637 . 0 0 "[ . 1 . 2]" 1
1115 2 6 PRO HA 2 9 LEU H 3.400 . 5.000 4.977 4.877 5.027 0.027 16 0 "[ . 1 . 2]" 1
1116 2 6 PRO HA 2 9 LEU QD 4.850 . 7.900 5.296 5.016 5.416 . 0 0 "[ . 1 . 2]" 1
1117 2 6 PRO HD2 2 9 LEU H 3.400 . 5.000 4.755 4.675 4.835 . 0 0 "[ . 1 . 2]" 1
1118 2 6 PRO HD2 2 9 LEU HB2 3.400 . 5.000 4.336 4.227 4.433 . 0 0 "[ . 1 . 2]" 1
1119 2 6 PRO HD2 2 9 LEU HB3 3.400 . 5.000 5.047 5.020 5.080 0.080 13 0 "[ . 1 . 2]" 1
1120 2 6 PRO HD2 2 9 LEU QD 4.850 . 7.900 5.363 5.224 5.463 . 0 0 "[ . 1 . 2]" 1
1121 2 6 PRO HD3 2 9 LEU QD 4.850 . 7.900 5.312 5.161 5.411 . 0 0 "[ . 1 . 2]" 1
1122 2 6 PRO QD 2 9 LEU HB2 3.900 . 6.000 3.995 3.904 4.078 . 0 0 "[ . 1 . 2]" 1
1123 2 6 PRO QD 2 9 LEU HB3 3.900 . 6.000 4.672 4.650 4.703 . 0 0 "[ . 1 . 2]" 1
1124 2 6 PRO QD 2 10 PRO QB 4.400 . 7.000 5.372 5.303 5.407 . 0 0 "[ . 1 . 2]" 1
1125 2 6 PRO HD2 2 10 PRO QG 3.900 . 6.000 3.889 3.848 3.917 . 0 0 "[ . 1 . 2]" 1
1126 2 6 PRO HD3 2 10 PRO QG 3.900 . 6.000 5.286 5.264 5.309 . 0 0 "[ . 1 . 2]" 1
1127 2 7 HIS QB 2 7 HIS HD2 2.650 . 3.500 2.846 2.681 3.057 . 0 0 "[ . 1 . 2]" 1
1128 2 7 HIS HA 2 8 TYR H 2.650 . 3.500 3.321 3.277 3.392 . 0 0 "[ . 1 . 2]" 1
1129 2 7 HIS HA 2 8 TYR HA 3.400 . 5.000 4.523 4.509 4.543 . 0 0 "[ . 1 . 2]" 1
1130 2 7 HIS H 2 8 TYR H 3.400 . 5.000 2.722 2.691 2.769 . 0 0 "[ . 1 . 2]" 1
1131 2 7 HIS HA 2 8 TYR CG 4.400 . 7.000 5.795 5.755 5.845 . 0 0 "[ . 1 . 2]" 1
1132 2 7 HIS QB 2 8 TYR HB3 3.900 . 6.000 4.281 4.150 5.213 . 0 0 "[ . 1 . 2]" 1
1133 2 7 HIS QB 2 8 TYR CG 4.150 . 6.500 4.875 4.722 5.631 . 0 0 "[ . 1 . 2]" 1
1134 2 7 HIS QB 2 8 TYR HA 3.900 . 6.000 4.375 4.252 4.938 . 0 0 "[ . 1 . 2]" 1
1135 2 7 HIS HA 2 9 LEU QB 3.900 . 6.000 5.389 5.356 5.415 . 0 0 "[ . 1 . 2]" 1
1136 2 7 HIS HA 2 10 PRO QG 3.900 . 6.000 3.046 2.943 3.157 . 0 0 "[ . 1 . 2]" 1
1137 2 7 HIS HA 2 10 PRO QD 3.900 . 6.000 3.309 3.253 3.362 . 0 0 "[ . 1 . 2]" 1
1138 2 7 HIS QB 2 10 PRO QG 4.400 . 7.000 4.833 4.601 4.946 . 0 0 "[ . 1 . 2]" 1
1139 2 7 HIS QB 2 10 PRO QD 4.400 . 7.000 4.656 4.557 4.709 . 0 0 "[ . 1 . 2]" 1
1140 2 8 TYR H 2 8 TYR HB3 2.650 . 3.500 3.259 3.189 3.334 . 0 0 "[ . 1 . 2]" 1
1141 2 8 TYR HA 2 8 TYR HB2 2.300 . 2.800 2.551 2.535 2.584 . 0 0 "[ . 1 . 2]" 1
1142 2 8 TYR HA 2 8 TYR HB3 2.300 . 2.800 2.393 2.365 2.410 . 0 0 "[ . 1 . 2]" 1
1143 2 8 TYR H 2 9 LEU H 2.650 . 3.500 1.922 1.903 1.962 . 0 0 "[ . 1 . 2]" 1
1144 2 8 TYR HB2 2 9 LEU H 3.400 . 5.000 3.676 3.623 3.775 . 0 0 "[ . 1 . 2]" 1
1145 2 8 TYR HB3 2 9 LEU H 3.650 . 5.500 4.086 4.042 4.150 . 0 0 "[ . 1 . 2]" 1
1146 2 8 TYR HA 2 9 LEU QD 4.850 . 7.900 5.053 4.967 5.110 . 0 0 "[ . 1 . 2]" 1
1147 2 8 TYR HB2 2 9 LEU QD 4.850 . 7.900 4.221 4.140 4.356 . 0 0 "[ . 1 . 2]" 1
1148 2 8 TYR CG 2 9 LEU HA 3.300 . 4.800 4.487 4.418 4.600 . 0 0 "[ . 1 . 2]" 1
1149 2 8 TYR CG 2 9 LEU H 3.300 . 4.800 2.798 2.731 2.914 . 0 0 "[ . 1 . 2]" 1
1150 2 8 TYR H 2 9 LEU HB2 3.400 . 5.000 3.629 3.583 3.682 . 0 0 "[ . 1 . 2]" 1
1151 2 8 TYR H 2 9 LEU HB3 3.400 . 5.000 4.873 4.762 4.966 . 0 0 "[ . 1 . 2]" 1
1152 2 8 TYR CG 2 9 LEU HB2 4.400 . 7.000 4.477 4.399 4.624 . 0 0 "[ . 1 . 2]" 1
1153 2 8 TYR CG 2 9 LEU HB3 4.400 . 7.000 5.925 5.847 6.069 . 0 0 "[ . 1 . 2]" 1
1154 2 8 TYR CG 2 9 LEU QD 5.100 . 8.400 3.619 3.487 3.720 . 0 0 "[ . 1 . 2]" 1
1155 2 8 TYR CZ 2 9 LEU QD 4.750 . 7.700 3.272 3.148 3.381 . 0 0 "[ . 1 . 2]" 1
1156 2 8 TYR HA 2 10 PRO QD 3.900 . 6.000 3.456 3.367 3.493 . 0 0 "[ . 1 . 2]" 1
1157 2 8 TYR H 2 10 PRO QD 3.900 . 6.000 2.619 2.541 2.783 . 0 0 "[ . 1 . 2]" 1
1158 2 8 TYR HA 2 11 GLN H 3.400 . 5.000 3.182 3.137 3.251 . 0 0 "[ . 1 . 2]" 1
1159 2 8 TYR HA 2 11 GLN HB2 2.650 . 3.500 2.819 2.748 3.051 . 0 0 "[ . 1 . 2]" 1
1160 2 8 TYR HA 2 11 GLN HB3 2.650 . 3.500 2.276 2.048 2.434 . 0 0 "[ . 1 . 2]" 1
1161 2 8 TYR HB2 2 11 GLN QG 3.900 . 6.000 4.814 4.528 4.980 . 0 0 "[ . 1 . 2]" 1
1162 2 8 TYR HB3 2 11 GLN QG 3.900 . 6.000 5.025 4.690 5.229 . 0 0 "[ . 1 . 2]" 1
1163 2 8 TYR HB2 2 11 GLN HB2 3.650 . 5.500 5.078 5.003 5.208 . 0 0 "[ . 1 . 2]" 1
1164 2 8 TYR HB2 2 11 GLN HB3 3.650 . 5.500 3.815 3.695 3.932 . 0 0 "[ . 1 . 2]" 1
1165 2 8 TYR HB3 2 11 GLN HB2 3.650 . 5.500 5.068 5.006 5.303 . 0 0 "[ . 1 . 2]" 1
1166 2 8 TYR HB3 2 11 GLN HB3 3.650 . 5.500 4.337 4.139 4.497 . 0 0 "[ . 1 . 2]" 1
1167 2 8 TYR HA 2 11 GLN QG 3.900 . 6.000 3.625 3.418 3.770 . 0 0 "[ . 1 . 2]" 1
1168 2 8 TYR HA 2 12 LEU MD1 4.150 . 6.500 3.381 3.289 3.497 . 0 0 "[ . 1 . 2]" 1
1169 2 8 TYR HA 2 12 LEU MD2 4.150 . 6.500 3.893 3.781 4.056 . 0 0 "[ . 1 . 2]" 1
1170 2 8 TYR HB2 2 12 LEU MD1 4.150 . 6.500 3.080 2.956 3.181 . 0 0 "[ . 1 . 2]" 1
1171 2 8 TYR HB3 2 12 LEU MD2 4.150 . 6.500 4.174 3.960 4.345 . 0 0 "[ . 1 . 2]" 1
1172 2 8 TYR CG 2 12 LEU H 4.400 . 7.000 6.150 6.027 6.250 . 0 0 "[ . 1 . 2]" 1
1173 2 8 TYR CG 2 12 LEU MD1 4.400 . 7.000 4.737 4.618 4.828 . 0 0 "[ . 1 . 2]" 1
1174 2 8 TYR CG 2 12 LEU MD2 4.400 . 7.000 3.783 3.645 3.902 . 0 0 "[ . 1 . 2]" 1
1175 2 9 LEU H 2 10 PRO QG 3.900 . 6.000 4.191 4.143 4.225 . 0 0 "[ . 1 . 2]" 1
1176 2 9 LEU H 2 10 PRO QD 3.900 . 6.000 2.249 2.199 2.282 . 0 0 "[ . 1 . 2]" 1
1177 2 9 LEU HB2 2 10 PRO QG 3.900 . 6.000 4.401 4.348 4.477 . 0 0 "[ . 1 . 2]" 1
1178 2 9 LEU HB3 2 10 PRO QG 3.900 . 6.000 4.004 3.923 4.091 . 0 0 "[ . 1 . 2]" 1
1179 2 9 LEU HB2 2 10 PRO QD 3.150 . 4.500 2.411 2.359 2.485 . 0 0 "[ . 1 . 2]" 1
1180 2 9 LEU HB3 2 10 PRO QD 3.150 . 4.500 2.141 2.046 2.225 . 0 0 "[ . 1 . 2]" 1
1181 2 9 LEU QD 2 10 PRO QD 5.000 . 8.200 3.489 3.456 3.528 . 0 0 "[ . 1 . 2]" 1
1182 2 9 LEU H 2 11 GLN H 3.400 . 5.000 3.913 3.876 3.969 . 0 0 "[ . 1 . 2]" 1
1183 2 9 LEU H 2 11 GLN HB3 3.400 . 5.000 4.888 4.691 4.984 . 0 0 "[ . 1 . 2]" 1
1184 2 9 LEU H 2 12 LEU H 3.400 . 5.000 4.929 4.888 4.973 . 0 0 "[ . 1 . 2]" 1
1185 2 10 PRO HA 2 11 GLN HA 3.400 . 5.000 4.782 4.766 4.797 . 0 0 "[ . 1 . 2]" 1
1186 2 10 PRO QG 2 11 GLN H 3.150 . 4.500 3.037 2.988 3.074 . 0 0 "[ . 1 . 2]" 1
1187 2 10 PRO QD 2 12 LEU H 3.900 . 6.000 4.313 4.261 4.361 . 0 0 "[ . 1 . 2]" 1
1188 2 10 PRO HA 2 13 ARG H 3.400 . 5.000 3.375 3.317 3.472 . 0 0 "[ . 1 . 2]" 1
1189 2 10 PRO HA 2 13 ARG HA 3.650 . 5.500 5.417 5.400 5.431 . 0 0 "[ . 1 . 2]" 1
1190 2 10 PRO HA 2 13 ARG HB2 3.400 . 5.000 4.481 4.471 4.495 . 0 0 "[ . 1 . 2]" 1
1191 2 10 PRO HA 2 13 ARG HB3 2.650 . 3.500 3.527 3.513 3.540 0.040 8 0 "[ . 1 . 2]" 1
1192 2 10 PRO HA 2 13 ARG HG2 3.400 . 5.000 1.957 1.943 1.965 . 0 0 "[ . 1 . 2]" 1
1193 2 10 PRO HA 2 13 ARG HG3 3.400 . 5.000 3.371 3.353 3.401 . 0 0 "[ . 1 . 2]" 1
1194 2 10 PRO HA 2 13 ARG QD 3.150 . 4.500 2.064 1.927 2.271 . 0 0 "[ . 1 . 2]" 1
1195 2 10 PRO QB 2 13 ARG QG 4.650 . 7.500 3.393 3.369 3.409 . 0 0 "[ . 1 . 2]" 1
1196 2 10 PRO HB2 2 13 ARG QD 3.650 . 5.500 4.124 3.344 4.308 . 0 0 "[ . 1 . 2]" 1
1197 2 10 PRO QG 2 13 ARG QG 4.400 . 7.000 4.794 4.767 4.811 . 0 0 "[ . 1 . 2]" 1
1198 2 10 PRO QG 2 13 ARG QD 4.650 . 7.500 4.787 4.354 4.957 . 0 0 "[ . 1 . 2]" 1
1199 2 10 PRO HA 2 33 VAL QG 4.850 . 7.900 4.242 4.111 4.515 . 0 0 "[ . 1 . 2]" 1
1200 2 11 GLN H 2 11 GLN HB2 2.300 . 2.800 2.695 2.645 2.825 0.025 8 0 "[ . 1 . 2]" 1
1201 2 11 GLN H 2 11 GLN HB3 2.300 . 2.800 2.429 2.292 2.474 . 0 0 "[ . 1 . 2]" 1
1202 2 11 GLN H 2 11 GLN QG 3.900 . 6.000 4.010 3.941 4.032 . 0 0 "[ . 1 . 2]" 1
1203 2 11 GLN H 2 12 LEU H 2.300 . 2.800 2.395 2.372 2.428 . 0 0 "[ . 1 . 2]" 1
1204 2 11 GLN H 2 12 LEU HA 3.650 . 5.500 5.088 5.070 5.114 . 0 0 "[ . 1 . 2]" 1
1205 2 11 GLN H 2 12 LEU QD 4.100 . 6.400 3.217 3.180 3.266 . 0 0 "[ . 1 . 2]" 1
1206 2 11 GLN HA 2 12 LEU H 2.650 . 3.500 3.521 3.517 3.528 0.028 12 0 "[ . 1 . 2]" 1
1207 2 11 GLN HA 2 12 LEU MD1 4.150 . 6.500 4.122 4.094 4.170 . 0 0 "[ . 1 . 2]" 1
1208 2 11 GLN HB2 2 12 LEU H 3.400 . 5.000 3.978 3.934 4.075 . 0 0 "[ . 1 . 2]" 1
1209 2 11 GLN HB3 2 12 LEU H 2.650 . 3.500 2.742 2.681 2.817 . 0 0 "[ . 1 . 2]" 1
1210 2 11 GLN HB3 2 12 LEU HA 3.400 . 5.000 4.376 4.324 4.545 . 0 0 "[ . 1 . 2]" 1
1211 2 11 GLN QG 2 12 LEU HA 3.900 . 6.000 3.601 3.433 3.669 . 0 0 "[ . 1 . 2]" 1
1212 2 11 GLN QG 2 12 LEU H 3.900 . 6.000 3.666 3.488 3.750 . 0 0 "[ . 1 . 2]" 1
1213 2 11 GLN QG 2 12 LEU MD1 4.650 . 7.500 2.602 2.254 2.712 . 0 0 "[ . 1 . 2]" 1
1214 2 11 GLN QG 2 12 LEU MD2 4.650 . 7.500 4.547 4.231 4.651 . 0 0 "[ . 1 . 2]" 1
1215 2 11 GLN H 2 13 ARG H 3.400 . 5.000 4.109 4.010 4.314 . 0 0 "[ . 1 . 2]" 1
1216 2 11 GLN HA 2 13 ARG H 3.400 . 5.000 4.749 4.626 4.992 . 0 0 "[ . 1 . 2]" 1
1217 2 11 GLN HA 2 14 LYS QB 3.900 . 6.000 3.859 3.756 3.966 . 0 0 "[ . 1 . 2]" 1
1218 2 11 GLN HA 2 14 LYS HG2 3.400 . 5.000 2.126 1.994 2.284 . 0 0 "[ . 1 . 2]" 1
1219 2 11 GLN HA 2 14 LYS HG3 3.400 . 5.000 3.401 3.297 3.510 . 0 0 "[ . 1 . 2]" 1
1220 2 11 GLN HA 2 14 LYS QD 3.900 . 6.000 2.437 2.189 2.527 . 0 0 "[ . 1 . 2]" 1
1221 2 11 GLN HA 2 14 LYS QE 3.150 . 4.500 2.402 1.952 4.027 . 0 0 "[ . 1 . 2]" 1
1222 2 11 GLN H 2 14 LYS QD 3.900 . 6.000 5.136 4.847 5.213 . 0 0 "[ . 1 . 2]" 1
1223 2 11 GLN HE21 2 14 LYS QB 3.900 . 6.000 5.346 5.135 5.411 . 0 0 "[ . 1 . 2]" 1
1224 2 11 GLN HE22 2 14 LYS QB 3.900 . 6.000 4.999 4.810 5.095 . 0 0 "[ . 1 . 2]" 1
1225 2 11 GLN HE21 2 14 LYS QD 3.900 . 6.000 2.920 2.660 3.224 . 0 0 "[ . 1 . 2]" 1
1226 2 11 GLN HE22 2 14 LYS QD 3.900 . 6.000 2.181 1.954 2.474 . 0 0 "[ . 1 . 2]" 1
1227 2 12 LEU H 2 12 LEU HA 2.300 . 2.800 2.882 2.871 2.891 0.091 2 0 "[ . 1 . 2]" 1
1228 2 12 LEU H 2 12 LEU HB2 2.300 . 2.800 2.439 2.408 2.462 . 0 0 "[ . 1 . 2]" 1
1229 2 12 LEU H 2 12 LEU HB3 2.650 . 3.500 3.598 3.588 3.605 0.105 18 0 "[ . 1 . 2]" 1
1230 2 12 LEU HA 2 12 LEU HB2 2.650 . 3.500 3.027 3.025 3.029 . 0 0 "[ . 1 . 2]" 1
1231 2 12 LEU HA 2 12 LEU HB3 2.300 . 2.800 2.499 2.485 2.513 . 0 0 "[ . 1 . 2]" 1
1232 2 12 LEU H 2 12 LEU QD 4.850 . 7.900 2.026 2.005 2.048 . 0 0 "[ . 1 . 2]" 1
1233 2 12 LEU H 2 13 ARG H 2.650 . 3.500 2.602 2.519 2.733 . 0 0 "[ . 1 . 2]" 1
1234 2 12 LEU H 2 13 ARG HB3 3.400 . 5.000 4.937 4.867 5.004 0.004 17 0 "[ . 1 . 2]" 1
1235 2 12 LEU HA 2 13 ARG H 2.650 . 3.500 3.581 3.569 3.596 0.096 15 0 "[ . 1 . 2]" 1
1236 2 12 LEU HB2 2 13 ARG HA 3.400 . 5.000 4.297 4.272 4.343 . 0 0 "[ . 1 . 2]" 1
1237 2 12 LEU HB3 2 13 ARG HA 3.400 . 5.000 4.332 4.271 4.378 . 0 0 "[ . 1 . 2]" 1
1238 2 12 LEU QD 2 13 ARG HA 4.850 . 7.900 5.129 5.115 5.145 . 0 0 "[ . 1 . 2]" 1
1239 2 12 LEU H 2 14 LYS H 3.400 . 5.000 4.109 4.062 4.152 . 0 0 "[ . 1 . 2]" 1
1240 2 12 LEU QD 2 14 LYS H 4.850 . 7.900 4.888 4.864 4.908 . 0 0 "[ . 1 . 2]" 1
1241 2 12 LEU QD 2 15 ASP H 4.850 . 7.900 4.454 4.432 4.484 . 0 0 "[ . 1 . 2]" 1
1242 2 12 LEU HA 2 15 ASP HA 3.400 . 5.000 5.039 5.023 5.048 0.048 10 0 "[ . 1 . 2]" 1
1243 2 12 LEU HA 2 15 ASP H 3.400 . 5.000 3.253 3.225 3.285 . 0 0 "[ . 1 . 2]" 1
1244 2 12 LEU HA 2 15 ASP HB2 2.650 . 3.500 2.439 2.303 2.633 . 0 0 "[ . 1 . 2]" 1
1245 2 12 LEU HA 2 15 ASP HB3 3.400 . 5.000 3.914 3.811 4.034 . 0 0 "[ . 1 . 2]" 1
1246 2 12 LEU QD 2 15 ASP HB2 4.850 . 7.900 3.788 3.652 3.947 . 0 0 "[ . 1 . 2]" 1
1247 2 12 LEU QD 2 15 ASP HB3 4.850 . 7.900 4.688 4.577 4.806 . 0 0 "[ . 1 . 2]" 1
1248 2 12 LEU HA 2 16 ILE H 3.400 . 5.000 4.244 4.150 4.415 . 0 0 "[ . 1 . 2]" 1
1249 2 13 ARG H 2 13 ARG HB2 2.650 . 3.500 3.621 3.616 3.626 0.126 4 0 "[ . 1 . 2]" 1
1250 2 13 ARG H 2 13 ARG HB3 2.300 . 2.800 2.476 2.420 2.515 . 0 0 "[ . 1 . 2]" 1
1251 2 13 ARG H 2 13 ARG QG 3.900 . 6.000 2.231 2.147 2.363 . 0 0 "[ . 1 . 2]" 1
1252 2 13 ARG H 2 13 ARG QD 3.900 . 6.000 3.727 3.684 3.785 . 0 0 "[ . 1 . 2]" 1
1253 2 13 ARG H 2 13 ARG HE 3.650 . 5.500 5.101 4.657 5.412 . 0 0 "[ . 1 . 2]" 1
1254 2 13 ARG HA 2 13 ARG HB2 2.300 . 2.800 2.420 2.410 2.433 . 0 0 "[ . 1 . 2]" 1
1255 2 13 ARG HA 2 13 ARG HB3 2.300 . 2.800 2.503 2.494 2.511 . 0 0 "[ . 1 . 2]" 1
1256 2 13 ARG HA 2 13 ARG QD 3.900 . 6.000 4.275 4.259 4.382 . 0 0 "[ . 1 . 2]" 1
1257 2 13 ARG H 2 14 LYS H 2.650 . 3.500 2.814 2.719 2.990 . 0 0 "[ . 1 . 2]" 1
1258 2 13 ARG HB3 2 14 LYS HA 3.650 . 5.500 5.623 5.618 5.628 0.128 18 0 "[ . 1 . 2]" 1
1259 2 13 ARG HG2 2 14 LYS HA 3.400 . 5.000 4.538 4.495 4.581 . 0 0 "[ . 1 . 2]" 1
1260 2 13 ARG HG3 2 14 LYS HA 3.400 . 5.000 3.258 3.237 3.271 . 0 0 "[ . 1 . 2]" 1
1261 2 13 ARG QD 2 14 LYS H 3.900 . 6.000 4.051 3.935 4.097 . 0 0 "[ . 1 . 2]" 1
1262 2 13 ARG HA 2 16 ILE H 3.400 . 5.000 3.379 3.323 3.477 . 0 0 "[ . 1 . 2]" 1
1263 2 13 ARG HA 2 16 ILE HB 2.650 . 3.500 3.566 3.515 3.597 0.097 8 0 "[ . 1 . 2]" 1
1264 2 13 ARG HA 2 16 ILE QG 3.900 . 6.000 5.106 5.001 5.158 . 0 0 "[ . 1 . 2]" 1
1265 2 13 ARG HA 2 16 ILE MD 4.150 . 6.500 4.439 4.067 5.246 . 0 0 "[ . 1 . 2]" 1
1266 2 13 ARG HA 2 17 LEU H 3.400 . 5.000 4.542 4.487 4.617 . 0 0 "[ . 1 . 2]" 1
1267 2 13 ARG HA 2 33 VAL MG1 4.150 . 6.500 5.268 5.211 5.320 . 0 0 "[ . 1 . 2]" 1
1268 2 13 ARG HA 2 33 VAL MG2 4.150 . 6.500 5.083 4.958 5.161 . 0 0 "[ . 1 . 2]" 1
1269 2 13 ARG HB2 2 33 VAL QG 4.100 . 6.400 2.892 2.814 2.956 . 0 0 "[ . 1 . 2]" 1
1270 2 13 ARG HB3 2 33 VAL QG 4.850 . 7.900 3.367 3.241 3.471 . 0 0 "[ . 1 . 2]" 1
1271 2 13 ARG HG2 2 33 VAL QG 4.850 . 7.900 4.103 4.023 4.271 . 0 0 "[ . 1 . 2]" 1
1272 2 13 ARG HG3 2 33 VAL QG 4.850 . 7.900 3.579 3.513 3.714 . 0 0 "[ . 1 . 2]" 1
1273 2 13 ARG QD 2 33 VAL HB 3.900 . 6.000 3.837 3.658 4.544 . 0 0 "[ . 1 . 2]" 1
1274 2 13 ARG QD 2 33 VAL MG1 3.900 . 6.000 2.027 1.902 2.474 . 0 0 "[ . 1 . 2]" 1
1275 2 13 ARG QD 2 33 VAL MG2 3.900 . 6.000 2.242 1.965 3.285 . 0 0 "[ . 1 . 2]" 1
1276 2 13 ARG HE 2 33 VAL MG1 4.150 . 6.500 3.971 3.038 4.398 . 0 0 "[ . 1 . 2]" 1
1277 2 13 ARG HE 2 33 VAL MG2 4.150 . 6.500 4.053 1.984 4.598 . 0 0 "[ . 1 . 2]" 1
1278 2 14 LYS H 2 14 LYS HA 2.300 . 2.800 2.851 2.848 2.855 0.055 8 0 "[ . 1 . 2]" 1
1279 2 14 LYS H 2 14 LYS HB2 2.650 . 3.500 3.618 3.612 3.624 0.124 14 0 "[ . 1 . 2]" 1
1280 2 14 LYS H 2 14 LYS HB3 2.650 . 3.500 2.550 2.506 2.597 . 0 0 "[ . 1 . 2]" 1
1281 2 14 LYS H 2 14 LYS QG 3.900 . 6.000 2.154 2.077 2.293 . 0 0 "[ . 1 . 2]" 1
1282 2 14 LYS H 2 14 LYS QE 3.900 . 6.000 3.777 3.315 5.098 . 0 0 "[ . 1 . 2]" 1
1283 2 14 LYS HA 2 14 LYS HB2 2.650 . 3.500 2.438 2.418 2.457 . 0 0 "[ . 1 . 2]" 1
1284 2 14 LYS HA 2 14 LYS HB3 2.650 . 3.500 2.495 2.472 2.516 . 0 0 "[ . 1 . 2]" 1
1285 2 14 LYS HA 2 14 LYS QD 3.900 . 6.000 4.417 4.319 4.475 . 0 0 "[ . 1 . 2]" 1
1286 2 14 LYS HA 2 14 LYS QE 3.900 . 6.000 4.415 4.235 5.142 . 0 0 "[ . 1 . 2]" 1
1287 2 14 LYS HA 2 15 ASP HA 3.400 . 5.000 4.813 4.800 4.825 . 0 0 "[ . 1 . 2]" 1
1288 2 14 LYS H 2 15 ASP H 2.650 . 3.500 2.567 2.543 2.591 . 0 0 "[ . 1 . 2]" 1
1289 2 14 LYS HA 2 15 ASP H 2.650 . 3.500 3.516 3.511 3.526 0.026 14 0 "[ . 1 . 2]" 1
1290 2 14 LYS HB2 2 15 ASP H 3.400 . 5.000 3.977 3.926 4.018 . 0 0 "[ . 1 . 2]" 1
1291 2 14 LYS HB3 2 15 ASP H 3.400 . 5.000 4.019 3.975 4.089 . 0 0 "[ . 1 . 2]" 1
1292 2 14 LYS HG2 2 15 ASP H 3.400 . 5.000 2.746 2.584 2.875 . 0 0 "[ . 1 . 2]" 1
1293 2 14 LYS HG3 2 15 ASP H 3.400 . 5.000 2.356 2.255 2.499 . 0 0 "[ . 1 . 2]" 1
1294 2 14 LYS QD 2 15 ASP H 3.900 . 6.000 4.196 4.094 4.331 . 0 0 "[ . 1 . 2]" 1
1295 2 14 LYS QB 2 15 ASP HA 3.900 . 6.000 4.495 4.453 4.539 . 0 0 "[ . 1 . 2]" 1
1296 2 14 LYS HG2 2 15 ASP HA 3.400 . 5.000 4.740 4.573 4.863 . 0 0 "[ . 1 . 2]" 1
1297 2 14 LYS HG3 2 15 ASP HA 3.400 . 5.000 3.252 3.198 3.306 . 0 0 "[ . 1 . 2]" 1
1298 2 14 LYS QD 2 15 ASP HA 3.900 . 6.000 4.817 4.660 5.204 . 0 0 "[ . 1 . 2]" 1
1299 2 14 LYS HA 2 16 ILE H 3.400 . 5.000 4.489 4.402 4.535 . 0 0 "[ . 1 . 2]" 1
1300 2 14 LYS HA 2 17 LEU QD 5.350 . 8.900 1.981 1.851 2.069 . 0 0 "[ . 1 . 2]" 1
1301 2 14 LYS HA 2 18 GLU QG 3.900 . 6.000 4.296 4.223 4.404 . 0 0 "[ . 1 . 2]" 1
1302 2 14 LYS HG2 2 18 GLU QG 3.900 . 6.000 5.426 5.366 5.474 . 0 0 "[ . 1 . 2]" 1
1303 2 14 LYS HG3 2 18 GLU QG 3.900 . 6.000 3.970 3.890 4.037 . 0 0 "[ . 1 . 2]" 1
1304 2 14 LYS QD 2 18 GLU HG2 3.900 . 6.000 5.189 4.912 5.377 . 0 0 "[ . 1 . 2]" 1
1305 2 14 LYS QD 2 18 GLU HG3 3.900 . 6.000 5.022 4.722 5.408 . 0 0 "[ . 1 . 2]" 1
1306 2 15 ASP H 2 15 ASP HA 2.300 . 2.800 2.857 2.849 2.865 0.065 3 0 "[ . 1 . 2]" 1
1307 2 15 ASP H 2 15 ASP HB2 2.650 . 3.500 2.398 2.307 2.491 . 0 0 "[ . 1 . 2]" 1
1308 2 15 ASP H 2 15 ASP HB3 2.650 . 3.500 3.592 3.569 3.619 0.119 14 0 "[ . 1 . 2]" 1
1309 2 15 ASP HA 2 15 ASP HB2 2.650 . 3.500 3.022 3.008 3.032 . 0 0 "[ . 1 . 2]" 1
1310 2 15 ASP HA 2 15 ASP HB3 2.300 . 2.800 2.536 2.492 2.591 . 0 0 "[ . 1 . 2]" 1
1311 2 15 ASP H 2 16 ILE H 2.650 . 3.500 2.722 2.678 2.779 . 0 0 "[ . 1 . 2]" 1
1312 2 15 ASP HA 2 16 ILE HA 3.650 . 5.500 4.812 4.790 4.830 . 0 0 "[ . 1 . 2]" 1
1313 2 15 ASP HB2 2 16 ILE H 2.650 . 3.500 2.562 2.526 2.639 . 0 0 "[ . 1 . 2]" 1
1314 2 15 ASP HB3 2 16 ILE H 2.650 . 3.500 3.461 3.378 3.535 0.035 20 0 "[ . 1 . 2]" 1
1315 2 15 ASP HB2 2 16 ILE HA 3.400 . 5.000 4.465 4.390 4.585 . 0 0 "[ . 1 . 2]" 1
1316 2 15 ASP HB3 2 16 ILE HA 3.400 . 5.000 4.311 4.215 4.407 . 0 0 "[ . 1 . 2]" 1
1317 2 15 ASP H 2 17 LEU H 3.400 . 5.000 3.943 3.888 4.050 . 0 0 "[ . 1 . 2]" 1
1318 2 15 ASP HA 2 17 LEU H 3.400 . 5.000 4.089 4.040 4.233 . 0 0 "[ . 1 . 2]" 1
1319 2 15 ASP HA 2 18 GLU H 2.650 . 3.500 3.317 3.229 3.414 . 0 0 "[ . 1 . 2]" 1
1320 2 15 ASP QB 2 18 GLU H 3.900 . 6.000 4.773 4.676 4.844 . 0 0 "[ . 1 . 2]" 1
1321 2 15 ASP HA 2 18 GLU QB 3.150 . 4.500 3.142 2.981 3.302 . 0 0 "[ . 1 . 2]" 1
1322 2 15 ASP HA 2 18 GLU HG2 2.650 . 3.500 3.276 2.893 3.576 0.076 20 0 "[ . 1 . 2]" 1
1323 2 15 ASP HA 2 18 GLU HG3 2.650 . 3.500 2.933 1.984 3.510 0.010 15 0 "[ . 1 . 2]" 1
1324 2 15 ASP HA 2 19 VAL H 3.400 . 5.000 3.903 3.811 3.964 . 0 0 "[ . 1 . 2]" 1
1325 2 15 ASP HA 2 19 VAL QG 4.850 . 7.900 3.556 3.499 3.613 . 0 0 "[ . 1 . 2]" 1
1326 2 15 ASP HB2 2 19 VAL H 3.650 . 5.500 5.507 5.411 5.578 0.078 11 0 "[ . 1 . 2]" 1
1327 2 15 ASP HB3 2 19 VAL H 3.400 . 5.000 4.656 4.621 4.689 . 0 0 "[ . 1 . 2]" 1
1328 2 16 ILE H 2 16 ILE HB 2.300 . 2.800 2.428 2.306 2.492 . 0 0 "[ . 1 . 2]" 1
1329 2 16 ILE H 2 16 ILE QG 3.150 . 4.500 4.020 3.976 4.104 . 0 0 "[ . 1 . 2]" 1
1330 2 16 ILE HA 2 16 ILE HB 2.650 . 3.500 2.557 2.527 2.626 . 0 0 "[ . 1 . 2]" 1
1331 2 16 ILE HA 2 16 ILE HG12 2.650 . 3.500 3.167 2.974 3.568 0.068 20 0 "[ . 1 . 2]" 1
1332 2 16 ILE HA 2 16 ILE HG13 2.650 . 3.500 2.416 2.319 2.641 . 0 0 "[ . 1 . 2]" 1
1333 2 16 ILE H 2 17 LEU H 2.650 . 3.500 2.691 2.625 2.756 . 0 0 "[ . 1 . 2]" 1
1334 2 16 ILE HA 2 18 GLU H 3.400 . 5.000 4.452 4.303 4.560 . 0 0 "[ . 1 . 2]" 1
1335 2 16 ILE H 2 18 GLU H 3.400 . 5.000 4.351 4.259 4.436 . 0 0 "[ . 1 . 2]" 1
1336 2 16 ILE HA 2 19 VAL H 2.650 . 3.500 3.168 3.038 3.264 . 0 0 "[ . 1 . 2]" 1
1337 2 16 ILE HA 2 19 VAL HB 2.650 . 3.500 2.059 1.994 2.232 . 0 0 "[ . 1 . 2]" 1
1338 2 16 ILE HA 2 19 VAL MG1 3.400 . 5.000 3.435 3.371 3.588 . 0 0 "[ . 1 . 2]" 1
1339 2 16 ILE HA 2 19 VAL MG2 3.400 . 5.000 2.146 1.968 2.424 . 0 0 "[ . 1 . 2]" 1
1340 2 16 ILE HB 2 19 VAL QG 4.100 . 6.400 3.912 3.789 4.093 . 0 0 "[ . 1 . 2]" 1
1341 2 16 ILE HB 2 19 VAL HB 3.400 . 5.000 4.521 4.460 4.661 . 0 0 "[ . 1 . 2]" 1
1342 2 16 ILE QG 2 19 VAL HB 3.900 . 6.000 3.130 2.997 3.327 . 0 0 "[ . 1 . 2]" 1
1343 2 16 ILE QG 2 19 VAL MG1 3.900 . 6.000 3.655 3.452 3.911 . 0 0 "[ . 1 . 2]" 1
1344 2 16 ILE QG 2 19 VAL MG2 3.900 . 6.000 3.796 3.539 4.158 . 0 0 "[ . 1 . 2]" 1
1345 2 16 ILE MG 2 19 VAL HB 4.150 . 6.500 4.574 4.422 4.757 . 0 0 "[ . 1 . 2]" 1
1346 2 16 ILE MD 2 19 VAL HB 4.150 . 6.500 4.126 2.561 4.882 . 0 0 "[ . 1 . 2]" 1
1347 2 16 ILE HA 2 20 ILE QG 3.900 . 6.000 3.787 3.717 3.884 . 0 0 "[ . 1 . 2]" 1
1348 2 17 LEU H 2 17 LEU HA 2.300 . 2.800 2.869 2.849 2.876 0.076 5 0 "[ . 1 . 2]" 1
1349 2 17 LEU H 2 17 LEU HB2 2.300 . 2.800 2.285 2.275 2.303 . 0 0 "[ . 1 . 2]" 1
1350 2 17 LEU H 2 17 LEU HB3 2.650 . 3.500 3.563 3.556 3.572 0.072 14 0 "[ . 1 . 2]" 1
1351 2 17 LEU H 2 17 LEU HG 2.650 . 3.500 2.659 2.569 2.780 . 0 0 "[ . 1 . 2]" 1
1352 2 17 LEU H 2 17 LEU QD 4.850 . 7.900 3.201 3.023 3.280 . 0 0 "[ . 1 . 2]" 1
1353 2 17 LEU HA 2 17 LEU HB2 2.650 . 3.500 3.015 3.013 3.018 . 0 0 "[ . 1 . 2]" 1
1354 2 17 LEU HA 2 17 LEU HB3 2.300 . 2.800 2.605 2.604 2.607 . 0 0 "[ . 1 . 2]" 1
1355 2 17 LEU H 2 18 GLU H 2.650 . 3.500 2.631 2.568 2.741 . 0 0 "[ . 1 . 2]" 1
1356 2 17 LEU QB 2 18 GLU H 3.150 . 4.500 2.471 2.419 2.530 . 0 0 "[ . 1 . 2]" 1
1357 2 17 LEU HB3 2 18 GLU QG 3.900 . 6.000 3.872 3.670 4.087 . 0 0 "[ . 1 . 2]" 1
1358 2 17 LEU QD 2 18 GLU QB 5.350 . 8.900 5.431 5.380 5.493 . 0 0 "[ . 1 . 2]" 1
1359 2 17 LEU QD 2 18 GLU QG 5.350 . 8.900 4.241 4.103 4.365 . 0 0 "[ . 1 . 2]" 1
1360 2 17 LEU H 2 19 VAL H 3.400 . 5.000 3.778 3.738 3.873 . 0 0 "[ . 1 . 2]" 1
1361 2 17 LEU HA 2 20 ILE H 3.400 . 5.000 3.707 3.629 3.806 . 0 0 "[ . 1 . 2]" 1
1362 2 17 LEU HA 2 20 ILE HB 2.650 . 3.500 3.151 3.058 3.266 . 0 0 "[ . 1 . 2]" 1
1363 2 17 LEU HA 2 20 ILE MD 3.400 . 5.000 2.288 2.057 2.476 . 0 0 "[ . 1 . 2]" 1
1364 2 17 LEU QB 2 21 CYS QB 4.400 . 7.000 4.464 4.309 4.555 . 0 0 "[ . 1 . 2]" 1
1365 2 17 LEU HA 2 26 ILE MD 3.400 . 5.000 2.938 2.708 3.099 . 0 0 "[ . 1 . 2]" 1
1366 2 17 LEU HA 2 26 ILE HG12 3.650 . 5.500 5.194 4.979 5.330 . 0 0 "[ . 1 . 2]" 1
1367 2 17 LEU HA 2 26 ILE HG13 3.650 . 5.500 4.566 4.361 4.699 . 0 0 "[ . 1 . 2]" 1
1368 2 17 LEU HB2 2 26 ILE MD 4.150 . 6.500 5.145 4.975 5.303 . 0 0 "[ . 1 . 2]" 1
1369 2 17 LEU HB3 2 26 ILE MD 4.150 . 6.500 4.071 3.898 4.263 . 0 0 "[ . 1 . 2]" 1
1370 2 17 LEU QD 2 27 ASP HA 4.850 . 7.900 4.510 4.298 4.666 . 0 0 "[ . 1 . 2]" 1
1371 2 17 LEU HG 2 28 PRO HA 3.400 . 5.000 4.884 4.743 5.015 0.015 8 0 "[ . 1 . 2]" 1
1372 2 17 LEU HG 2 28 PRO QB 3.900 . 6.000 5.255 5.225 5.302 . 0 0 "[ . 1 . 2]" 1
1373 2 17 LEU MD1 2 28 PRO HA 3.050 . 4.300 2.883 2.574 3.302 . 0 0 "[ . 1 . 2]" 1
1374 2 17 LEU MD2 2 28 PRO HA 3.050 . 4.300 2.330 2.010 2.545 . 0 0 "[ . 1 . 2]" 1
1375 2 17 LEU MD1 2 28 PRO QB 3.900 . 6.000 2.684 2.415 3.138 . 0 0 "[ . 1 . 2]" 1
1376 2 17 LEU MD2 2 28 PRO QB 3.900 . 6.000 3.278 2.888 3.537 . 0 0 "[ . 1 . 2]" 1
1377 2 17 LEU MD1 2 28 PRO HG3 4.150 . 6.500 4.657 4.377 5.154 . 0 0 "[ . 1 . 2]" 1
1378 2 17 LEU MD2 2 28 PRO HG3 4.150 . 6.500 5.043 4.647 5.284 . 0 0 "[ . 1 . 2]" 1
1379 2 17 LEU QD 2 28 PRO HG2 4.850 . 7.900 4.763 4.707 4.811 . 0 0 "[ . 1 . 2]" 1
1380 2 17 LEU QD 2 28 PRO HD2 4.850 . 7.900 4.965 4.836 5.055 . 0 0 "[ . 1 . 2]" 1
1381 2 17 LEU QD 2 28 PRO HD3 4.850 . 7.900 4.203 4.029 4.331 . 0 0 "[ . 1 . 2]" 1
1382 2 17 LEU HG 2 31 VAL QG 4.100 . 6.400 2.906 2.712 3.124 . 0 0 "[ . 1 . 2]" 1
1383 2 18 GLU H 2 18 GLU HA 2.300 . 2.800 2.883 2.873 2.898 0.098 12 0 "[ . 1 . 2]" 1
1384 2 18 GLU H 2 19 VAL H 2.650 . 3.500 2.486 2.435 2.546 . 0 0 "[ . 1 . 2]" 1
1385 2 18 GLU H 2 19 VAL QG 4.850 . 7.900 3.885 3.783 4.000 . 0 0 "[ . 1 . 2]" 1
1386 2 18 GLU HA 2 19 VAL H 2.650 . 3.500 3.522 3.517 3.536 0.036 9 0 "[ . 1 . 2]" 1
1387 2 18 GLU HA 2 19 VAL QG 4.850 . 7.900 4.731 4.699 4.769 . 0 0 "[ . 1 . 2]" 1
1388 2 18 GLU QB 2 19 VAL HA 3.900 . 6.000 3.795 3.779 3.808 . 0 0 "[ . 1 . 2]" 1
1389 2 18 GLU QB 2 19 VAL HB 3.900 . 6.000 4.862 4.753 4.968 . 0 0 "[ . 1 . 2]" 1
1390 2 18 GLU QB 2 19 VAL MG1 4.650 . 7.500 5.069 5.021 5.093 . 0 0 "[ . 1 . 2]" 1
1391 2 18 GLU QB 2 19 VAL MG2 4.650 . 7.500 3.055 3.019 3.078 . 0 0 "[ . 1 . 2]" 1
1392 2 18 GLU QG 2 19 VAL HA 3.900 . 6.000 5.526 5.401 5.617 . 0 0 "[ . 1 . 2]" 1
1393 2 18 GLU HG2 2 19 VAL QG 4.850 . 7.900 4.796 4.531 4.969 . 0 0 "[ . 1 . 2]" 1
1394 2 18 GLU HG3 2 19 VAL QG 4.850 . 7.900 4.687 4.081 5.055 . 0 0 "[ . 1 . 2]" 1
1395 2 18 GLU H 2 20 ILE H 3.400 . 5.000 4.378 4.306 4.437 . 0 0 "[ . 1 . 2]" 1
1396 2 18 GLU HA 2 21 CYS HA 3.400 . 5.000 4.918 4.855 4.968 . 0 0 "[ . 1 . 2]" 1
1397 2 18 GLU HA 2 21 CYS H 2.650 . 3.500 3.291 3.248 3.328 . 0 0 "[ . 1 . 2]" 1
1398 2 18 GLU HA 2 21 CYS QB 3.900 . 6.000 2.273 2.212 2.325 . 0 0 "[ . 1 . 2]" 1
1399 2 18 GLU QB 2 21 CYS QB 3.650 . 5.500 3.553 3.515 3.603 . 0 0 "[ . 1 . 2]" 1
1400 2 18 GLU HG2 2 21 CYS QB 3.900 . 6.000 4.880 4.551 5.175 . 0 0 "[ . 1 . 2]" 1
1401 2 18 GLU HG3 2 21 CYS QB 3.900 . 6.000 5.508 5.477 5.547 . 0 0 "[ . 1 . 2]" 1
1402 2 18 GLU QB 2 22 LYS QB 4.400 . 7.000 5.269 5.135 5.341 . 0 0 "[ . 1 . 2]" 1
1403 2 18 GLU QB 2 22 LYS QE 4.400 . 7.000 4.957 4.739 5.124 . 0 0 "[ . 1 . 2]" 1
1404 2 19 VAL H 2 19 VAL HB 2.300 . 2.800 2.563 2.496 2.625 . 0 0 "[ . 1 . 2]" 1
1405 2 19 VAL H 2 20 ILE H 2.650 . 3.500 2.872 2.833 2.913 . 0 0 "[ . 1 . 2]" 1
1406 2 19 VAL HA 2 20 ILE HA 3.650 . 5.500 4.845 4.824 4.855 . 0 0 "[ . 1 . 2]" 1
1407 2 19 VAL HA 2 20 ILE QG 4.150 . 6.500 5.056 5.024 5.082 . 0 0 "[ . 1 . 2]" 1
1408 2 19 VAL HB 2 20 ILE H 2.650 . 3.500 2.286 2.175 2.372 . 0 0 "[ . 1 . 2]" 1
1409 2 19 VAL HB 2 21 CYS H 3.400 . 5.000 4.523 4.444 4.584 . 0 0 "[ . 1 . 2]" 1
1410 2 19 VAL H 2 21 CYS H 3.650 . 5.500 3.725 3.676 3.781 . 0 0 "[ . 1 . 2]" 1
1411 2 19 VAL HA 2 21 CYS H 3.400 . 5.000 3.884 3.854 3.918 . 0 0 "[ . 1 . 2]" 1
1412 2 19 VAL HA 2 21 CYS QB 3.900 . 6.000 4.610 4.575 4.660 . 0 0 "[ . 1 . 2]" 1
1413 2 19 VAL HA 2 22 LYS QB 3.150 . 4.500 3.090 2.957 3.196 . 0 0 "[ . 1 . 2]" 1
1414 2 19 VAL HA 2 22 LYS QG 3.150 . 4.500 3.132 3.019 3.281 . 0 0 "[ . 1 . 2]" 1
1415 2 19 VAL HA 2 22 LYS QD 2.800 . 3.800 1.986 1.851 2.138 . 0 0 "[ . 1 . 2]" 1
1416 2 19 VAL HA 2 22 LYS QE 3.150 . 4.500 3.838 3.624 4.017 . 0 0 "[ . 1 . 2]" 1
1417 2 19 VAL HB 2 22 LYS QD 3.900 . 6.000 4.551 4.405 4.729 . 0 0 "[ . 1 . 2]" 1
1418 2 19 VAL MG1 2 22 LYS QD 3.900 . 6.000 3.051 2.903 3.182 . 0 0 "[ . 1 . 2]" 1
1419 2 19 VAL MG2 2 22 LYS QD 3.900 . 6.000 3.033 2.929 3.193 . 0 0 "[ . 1 . 2]" 1
1420 2 19 VAL QG 2 22 LYS H 4.850 . 7.900 4.189 4.142 4.223 . 0 0 "[ . 1 . 2]" 1
1421 2 19 VAL QG 2 22 LYS HB2 4.850 . 7.900 3.627 3.460 3.751 . 0 0 "[ . 1 . 2]" 1
1422 2 19 VAL QG 2 22 LYS HB3 4.850 . 7.900 4.847 4.724 4.963 . 0 0 "[ . 1 . 2]" 1
1423 2 19 VAL QG 2 22 LYS QG 4.600 . 7.400 4.044 3.978 4.134 . 0 0 "[ . 1 . 2]" 1
1424 2 19 VAL QG 2 22 LYS QD 4.250 . 6.700 2.710 2.615 2.840 . 0 0 "[ . 1 . 2]" 1
1425 2 19 VAL QG 2 22 LYS QE 4.600 . 7.400 3.681 3.467 3.884 . 0 0 "[ . 1 . 2]" 1
1426 2 19 VAL H 2 22 LYS H 3.400 . 5.000 4.645 4.590 4.686 . 0 0 "[ . 1 . 2]" 1
1427 2 19 VAL H 2 22 LYS QB 4.150 . 6.500 5.525 5.396 5.603 . 0 0 "[ . 1 . 2]" 1
1428 2 19 VAL H 2 22 LYS QG 3.900 . 6.000 4.701 4.595 4.773 . 0 0 "[ . 1 . 2]" 1
1429 2 19 VAL HA 2 23 TYR CG 4.400 . 7.000 5.653 5.575 5.712 . 0 0 "[ . 1 . 2]" 1
1430 2 19 VAL HA 2 23 TYR CZ 4.400 . 7.000 5.629 5.564 5.695 . 0 0 "[ . 1 . 2]" 1
1431 2 19 VAL HB 2 23 TYR CZ 4.400 . 7.000 6.982 6.770 7.018 0.018 14 0 "[ . 1 . 2]" 1
1432 2 19 VAL MG1 2 23 TYR CG 4.050 . 6.300 4.124 4.045 4.191 . 0 0 "[ . 1 . 2]" 1
1433 2 19 VAL MG1 2 23 TYR CZ 4.050 . 6.300 3.858 3.711 3.930 . 0 0 "[ . 1 . 2]" 1
1434 2 19 VAL MG2 2 23 TYR CZ 5.150 . 8.500 5.834 5.703 5.950 . 0 0 "[ . 1 . 2]" 1
1435 2 20 ILE H 2 20 ILE HB 2.300 . 2.800 2.622 2.609 2.640 . 0 0 "[ . 1 . 2]" 1
1436 2 20 ILE H 2 21 CYS H 2.650 . 3.500 2.691 2.666 2.707 . 0 0 "[ . 1 . 2]" 1
1437 2 20 ILE H 2 21 CYS QB 3.900 . 6.000 4.449 4.411 4.472 . 0 0 "[ . 1 . 2]" 1
1438 2 20 ILE HB 2 21 CYS H 2.650 . 3.500 3.016 2.971 3.068 . 0 0 "[ . 1 . 2]" 1
1439 2 20 ILE MG 2 21 CYS H 4.150 . 6.500 3.821 3.786 3.885 . 0 0 "[ . 1 . 2]" 1
1440 2 20 ILE MG 2 21 CYS HA 4.150 . 6.500 3.786 3.746 3.892 . 0 0 "[ . 1 . 2]" 1
1441 2 20 ILE MD 2 21 CYS H 4.150 . 6.500 4.426 4.283 4.520 . 0 0 "[ . 1 . 2]" 1
1442 2 20 ILE MG 2 22 LYS H 4.150 . 6.500 5.335 5.300 5.371 . 0 0 "[ . 1 . 2]" 1
1443 2 20 ILE HA 2 22 LYS H 3.400 . 5.000 4.572 4.528 4.605 . 0 0 "[ . 1 . 2]" 1
1444 2 20 ILE H 2 22 LYS H 3.400 . 5.000 4.439 4.414 4.464 . 0 0 "[ . 1 . 2]" 1
1445 2 20 ILE HA 2 23 TYR H 3.400 . 5.000 3.548 3.510 3.600 . 0 0 "[ . 1 . 2]" 1
1446 2 20 ILE HB 2 23 TYR H 3.900 . 6.000 5.665 5.621 5.711 . 0 0 "[ . 1 . 2]" 1
1447 2 20 ILE MG 2 23 TYR H 4.150 . 6.500 4.615 4.565 4.695 . 0 0 "[ . 1 . 2]" 1
1448 2 20 ILE HA 2 23 TYR HB2 3.400 . 5.000 3.091 2.994 3.179 . 0 0 "[ . 1 . 2]" 1
1449 2 20 ILE HA 2 23 TYR HB3 3.400 . 5.000 4.780 4.675 4.865 . 0 0 "[ . 1 . 2]" 1
1450 2 20 ILE HA 2 23 TYR CG 3.650 . 5.500 4.710 4.578 4.826 . 0 0 "[ . 1 . 2]" 1
1451 2 20 ILE HA 2 23 TYR CZ 4.400 . 7.000 6.579 6.409 6.711 . 0 0 "[ . 1 . 2]" 1
1452 2 20 ILE HA 2 24 VAL H 3.400 . 5.000 3.959 3.941 3.975 . 0 0 "[ . 1 . 2]" 1
1453 2 20 ILE MG 2 24 VAL H 4.150 . 6.500 3.878 3.801 3.940 . 0 0 "[ . 1 . 2]" 1
1454 2 21 CYS H 2 21 CYS HA 2.300 . 2.800 2.889 2.884 2.894 0.094 1 0 "[ . 1 . 2]" 1
1455 2 21 CYS HA 2 22 LYS H 2.650 . 3.500 3.564 3.559 3.570 0.070 12 0 "[ . 1 . 2]" 1
1456 2 21 CYS HA 2 22 LYS HA 3.400 . 5.000 4.864 4.850 4.872 . 0 0 "[ . 1 . 2]" 1
1457 2 21 CYS HA 2 22 LYS QG 3.900 . 6.000 5.072 5.040 5.100 . 0 0 "[ . 1 . 2]" 1
1458 2 21 CYS H 2 22 LYS H 2.650 . 3.500 2.561 2.533 2.590 . 0 0 "[ . 1 . 2]" 1
1459 2 21 CYS H 2 22 LYS QG 3.900 . 6.000 4.048 4.006 4.111 . 0 0 "[ . 1 . 2]" 1
1460 2 21 CYS QB 2 22 LYS H 3.900 . 6.000 2.423 2.402 2.456 . 0 0 "[ . 1 . 2]" 1
1461 2 21 CYS QB 2 22 LYS HA 3.900 . 6.000 3.945 3.905 3.980 . 0 0 "[ . 1 . 2]" 1
1462 2 21 CYS HA 2 23 TYR H 3.400 . 5.000 4.121 4.011 4.182 . 0 0 "[ . 1 . 2]" 1
1463 2 21 CYS QB 2 23 TYR H 3.900 . 6.000 4.537 4.489 4.561 . 0 0 "[ . 1 . 2]" 1
1464 2 21 CYS QB 2 24 VAL H 3.900 . 6.000 4.612 4.587 4.633 . 0 0 "[ . 1 . 2]" 1
1465 2 21 CYS HA 2 24 VAL H 2.650 . 3.500 3.065 3.011 3.115 . 0 0 "[ . 1 . 2]" 1
1466 2 21 CYS HA 2 24 VAL HB 3.400 . 5.000 4.009 3.941 4.095 . 0 0 "[ . 1 . 2]" 1
1467 2 21 CYS H 2 24 VAL H 3.400 . 5.000 4.293 4.276 4.319 . 0 0 "[ . 1 . 2]" 1
1468 2 21 CYS HA 2 25 GLN HA 2.650 . 3.500 2.429 2.387 2.478 . 0 0 "[ . 1 . 2]" 1
1469 2 21 CYS QB 2 25 GLN HA 3.900 . 6.000 3.966 3.936 4.000 . 0 0 "[ . 1 . 2]" 1
1470 2 21 CYS QB 2 25 GLN QB 4.400 . 7.000 5.652 5.639 5.668 . 0 0 "[ . 1 . 2]" 1
1471 2 21 CYS QB 2 25 GLN QG 4.400 . 7.000 4.309 4.220 4.378 . 0 0 "[ . 1 . 2]" 1
1472 2 21 CYS HA 2 25 GLN QB 3.900 . 6.000 4.415 4.363 4.481 . 0 0 "[ . 1 . 2]" 1
1473 2 21 CYS HA 2 25 GLN QG 3.900 . 6.000 3.419 3.202 3.600 . 0 0 "[ . 1 . 2]" 1
1474 2 21 CYS HA 2 26 ILE MD 4.150 . 6.500 5.105 5.039 5.195 . 0 0 "[ . 1 . 2]" 1
1475 2 21 CYS HA 2 26 ILE QG 3.900 . 6.000 3.808 3.741 3.887 . 0 0 "[ . 1 . 2]" 1
1476 2 21 CYS QB 2 26 ILE MD 4.650 . 7.500 4.743 4.622 4.851 . 0 0 "[ . 1 . 2]" 1
1477 2 22 LYS H 2 22 LYS HA 2.300 . 2.800 2.834 2.828 2.842 0.042 3 0 "[ . 1 . 2]" 1
1478 2 22 LYS H 2 22 LYS QG 3.900 . 6.000 1.955 1.933 1.980 . 0 0 "[ . 1 . 2]" 1
1479 2 22 LYS H 2 22 LYS QD 3.900 . 6.000 3.225 3.070 3.340 . 0 0 "[ . 1 . 2]" 1
1480 2 22 LYS H 2 22 LYS QE 3.900 . 6.000 4.753 4.666 4.834 . 0 0 "[ . 1 . 2]" 1
1481 2 22 LYS HA 2 22 LYS QD 3.900 . 6.000 4.152 4.130 4.166 . 0 0 "[ . 1 . 2]" 1
1482 2 22 LYS HA 2 22 LYS QE 3.900 . 6.000 4.446 4.342 4.577 . 0 0 "[ . 1 . 2]" 1
1483 2 22 LYS H 2 23 TYR H 2.300 . 2.800 2.729 2.700 2.754 . 0 0 "[ . 1 . 2]" 1
1484 2 22 LYS H 2 23 TYR HA 3.650 . 5.500 5.396 5.374 5.415 . 0 0 "[ . 1 . 2]" 1
1485 2 22 LYS H 2 23 TYR HB2 3.400 . 5.000 5.002 4.958 5.023 0.023 15 0 "[ . 1 . 2]" 1
1486 2 22 LYS HA 2 23 TYR H 2.650 . 3.500 3.515 3.505 3.520 0.020 10 0 "[ . 1 . 2]" 1
1487 2 22 LYS QG 2 23 TYR H 3.900 . 6.000 4.043 4.030 4.059 . 0 0 "[ . 1 . 2]" 1
1488 2 22 LYS QD 2 23 TYR H 3.900 . 6.000 4.356 4.218 4.452 . 0 0 "[ . 1 . 2]" 1
1489 2 22 LYS HA 2 23 TYR CG 4.400 . 7.000 5.702 5.680 5.726 . 0 0 "[ . 1 . 2]" 1
1490 2 22 LYS HA 2 23 TYR CZ 4.400 . 7.000 6.783 6.729 6.841 . 0 0 "[ . 1 . 2]" 1
1491 2 22 LYS HB2 2 23 TYR CG 3.650 . 5.500 3.827 3.807 3.848 . 0 0 "[ . 1 . 2]" 1
1492 2 22 LYS HB3 2 23 TYR CG 3.650 . 5.500 4.743 4.651 4.844 . 0 0 "[ . 1 . 2]" 1
1493 2 22 LYS HB2 2 23 TYR CZ 3.650 . 5.500 4.209 4.190 4.222 . 0 0 "[ . 1 . 2]" 1
1494 2 22 LYS HB3 2 23 TYR CZ 3.650 . 5.500 4.858 4.744 4.993 . 0 0 "[ . 1 . 2]" 1
1495 2 22 LYS QG 2 23 TYR CG 4.650 . 7.500 5.797 5.782 5.815 . 0 0 "[ . 1 . 2]" 1
1496 2 22 LYS QG 2 23 TYR CZ 4.650 . 7.500 5.996 5.969 6.034 . 0 0 "[ . 1 . 2]" 1
1497 2 22 LYS QD 2 23 TYR CG 4.400 . 7.000 5.098 5.014 5.158 . 0 0 "[ . 1 . 2]" 1
1498 2 22 LYS QD 2 23 TYR CZ 3.650 . 5.500 4.585 4.572 4.598 . 0 0 "[ . 1 . 2]" 1
1499 2 22 LYS QE 2 23 TYR CG 4.400 . 7.000 6.004 5.986 6.024 . 0 0 "[ . 1 . 2]" 1
1500 2 22 LYS QE 2 23 TYR CZ 3.650 . 5.500 4.963 4.902 4.979 . 0 0 "[ . 1 . 2]" 1
1501 2 22 LYS HB3 2 23 TYR HA 3.400 . 5.000 4.620 4.572 4.666 . 0 0 "[ . 1 . 2]" 1
1502 2 22 LYS HB2 2 24 VAL H 3.400 . 5.000 4.819 4.787 4.885 . 0 0 "[ . 1 . 2]" 1
1503 2 22 LYS HA 2 24 VAL H 3.400 . 5.000 4.377 4.330 4.456 . 0 0 "[ . 1 . 2]" 1
1504 2 23 TYR H 2 23 TYR HB2 2.650 . 3.500 2.465 2.444 2.475 . 0 0 "[ . 1 . 2]" 1
1505 2 23 TYR H 2 23 TYR HB3 2.650 . 3.500 3.653 3.644 3.657 0.157 1 0 "[ . 1 . 2]" 1
1506 2 23 TYR HA 2 23 TYR HB2 2.650 . 3.500 3.034 3.032 3.035 . 0 0 "[ . 1 . 2]" 1
1507 2 23 TYR HA 2 23 TYR HB3 2.300 . 2.800 2.478 2.473 2.487 . 0 0 "[ . 1 . 2]" 1
1508 2 23 TYR CZ 2 23 TYR HA 3.650 . 5.500 5.020 4.992 5.036 . 0 0 "[ . 1 . 2]" 1
1509 2 23 TYR CZ 2 23 TYR H 4.400 . 7.000 5.170 5.148 5.204 . 0 0 "[ . 1 . 2]" 1
1510 2 23 TYR HA 2 24 VAL QG 4.850 . 7.900 3.797 3.767 3.811 . 0 0 "[ . 1 . 2]" 1
1511 2 23 TYR HB2 2 24 VAL QG 4.850 . 7.900 2.406 2.383 2.425 . 0 0 "[ . 1 . 2]" 1
1512 2 23 TYR HB3 2 24 VAL QG 4.850 . 7.900 2.855 2.762 2.894 . 0 0 "[ . 1 . 2]" 1
1513 2 23 TYR CG 2 24 VAL QG 5.850 . 9.900 4.166 4.135 4.182 . 0 0 "[ . 1 . 2]" 1
1514 2 23 TYR HB2 2 24 VAL H 2.650 . 3.500 3.183 3.070 3.223 . 0 0 "[ . 1 . 2]" 1
1515 2 23 TYR HB3 2 24 VAL H 3.400 . 5.000 4.086 4.003 4.114 . 0 0 "[ . 1 . 2]" 1
1516 2 23 TYR H 2 24 VAL H 2.300 . 2.800 2.187 2.161 2.208 . 0 0 "[ . 1 . 2]" 1
1517 2 23 TYR H 2 24 VAL HB 3.400 . 5.000 4.952 4.931 5.003 0.003 9 0 "[ . 1 . 2]" 1
1518 2 23 TYR H 2 24 VAL QG 4.850 . 7.900 3.583 3.551 3.642 . 0 0 "[ . 1 . 2]" 1
1519 2 24 VAL H 2 24 VAL HA 2.650 . 3.500 2.952 2.949 2.955 . 0 0 "[ . 1 . 2]" 1
1520 2 24 VAL H 2 24 VAL HB 2.650 . 3.500 3.158 3.148 3.172 . 0 0 "[ . 1 . 2]" 1
1521 2 24 VAL HA 2 24 VAL HB 2.650 . 3.500 3.019 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
1522 2 24 VAL HA 2 25 GLN H 2.650 . 3.500 3.204 3.198 3.211 . 0 0 "[ . 1 . 2]" 1
1523 2 24 VAL H 2 25 GLN H 3.400 . 5.000 4.066 4.056 4.075 . 0 0 "[ . 1 . 2]" 1
1524 2 24 VAL H 2 25 GLN QB 3.900 . 6.000 5.049 4.941 5.160 . 0 0 "[ . 1 . 2]" 1
1525 2 24 VAL HA 2 25 GLN QB 3.900 . 6.000 3.846 3.787 3.922 . 0 0 "[ . 1 . 2]" 1
1526 2 24 VAL HA 2 25 GLN QG 3.900 . 6.000 4.706 4.553 4.867 . 0 0 "[ . 1 . 2]" 1
1527 2 24 VAL HB 2 25 GLN H 2.300 . 2.800 2.022 2.006 2.032 . 0 0 "[ . 1 . 2]" 1
1528 2 24 VAL HB 2 25 GLN QB 3.900 . 6.000 4.530 4.506 4.550 . 0 0 "[ . 1 . 2]" 1
1529 2 24 VAL HB 2 25 GLN QG 3.900 . 6.000 5.281 5.218 5.396 . 0 0 "[ . 1 . 2]" 1
1530 2 24 VAL QG 2 25 GLN QB 5.350 . 8.900 3.321 3.262 3.497 . 0 0 "[ . 1 . 2]" 1
1531 2 24 VAL QG 2 25 GLN QG 4.600 . 7.400 4.566 4.477 4.683 . 0 0 "[ . 1 . 2]" 1
1532 2 24 VAL QG 2 25 GLN H 4.100 . 6.400 1.966 1.921 2.006 . 0 0 "[ . 1 . 2]" 1
1533 2 24 VAL QG 2 25 GLN HA 4.850 . 7.900 4.172 4.161 4.208 . 0 0 "[ . 1 . 2]" 1
1534 2 24 VAL QG 2 52 PRO HD2 4.850 . 7.900 4.026 3.836 4.229 . 0 0 "[ . 1 . 2]" 1
1535 2 24 VAL QG 2 52 PRO HD3 4.850 . 7.900 5.165 4.987 5.353 . 0 0 "[ . 1 . 2]" 1
1536 2 25 GLN H 2 25 GLN QG 3.900 . 6.000 4.043 3.988 4.126 . 0 0 "[ . 1 . 2]" 1
1537 2 25 GLN H 2 26 ILE H 3.400 . 5.000 3.714 3.649 3.817 . 0 0 "[ . 1 . 2]" 1
1538 2 25 GLN H 2 26 ILE MG 3.400 . 5.000 3.215 3.143 3.321 . 0 0 "[ . 1 . 2]" 1
1539 2 25 GLN HA 2 26 ILE H 2.300 . 2.800 2.169 2.162 2.180 . 0 0 "[ . 1 . 2]" 1
1540 2 25 GLN QG 2 26 ILE H 3.900 . 6.000 3.607 3.435 3.703 . 0 0 "[ . 1 . 2]" 1
1541 2 25 GLN QB 2 26 ILE HA 3.900 . 6.000 4.149 4.124 4.181 . 0 0 "[ . 1 . 2]" 1
1542 2 25 GLN QG 2 26 ILE HA 3.900 . 6.000 5.139 4.992 5.267 . 0 0 "[ . 1 . 2]" 1
1543 2 25 GLN QB 2 26 ILE HG12 3.900 . 6.000 5.426 5.414 5.432 . 0 0 "[ . 1 . 2]" 1
1544 2 25 GLN QB 2 26 ILE HG13 3.900 . 6.000 5.405 5.380 5.424 . 0 0 "[ . 1 . 2]" 1
1545 2 25 GLN QG 2 26 ILE HG13 3.900 . 6.000 5.379 5.268 5.437 . 0 0 "[ . 1 . 2]" 1
1546 2 26 ILE H 2 26 ILE HG12 2.650 . 3.500 2.961 2.926 2.981 . 0 0 "[ . 1 . 2]" 1
1547 2 26 ILE H 2 26 ILE HG13 2.650 . 3.500 2.058 2.036 2.084 . 0 0 "[ . 1 . 2]" 1
1548 2 26 ILE H 2 26 ILE MD 4.150 . 6.500 3.794 3.778 3.814 . 0 0 "[ . 1 . 2]" 1
1549 2 26 ILE HA 2 26 ILE HB 2.300 . 2.800 2.598 2.595 2.601 . 0 0 "[ . 1 . 2]" 1
1550 2 26 ILE H 2 27 ASP H 3.400 . 5.000 4.441 4.437 4.445 . 0 0 "[ . 1 . 2]" 1
1551 2 26 ILE HA 2 27 ASP HA 3.650 . 5.500 4.426 4.405 4.438 . 0 0 "[ . 1 . 2]" 1
1552 2 26 ILE HA 2 27 ASP H 2.650 . 3.500 2.468 2.435 2.480 . 0 0 "[ . 1 . 2]" 1
1553 2 26 ILE HB 2 27 ASP H 2.650 . 3.500 2.379 2.351 2.413 . 0 0 "[ . 1 . 2]" 1
1554 2 26 ILE HG12 2 27 ASP H 3.400 . 5.000 5.006 4.985 5.020 0.020 9 0 "[ . 1 . 2]" 1
1555 2 26 ILE HG13 2 27 ASP H 3.400 . 5.000 4.216 4.185 4.234 . 0 0 "[ . 1 . 2]" 1
1556 2 26 ILE MG 2 27 ASP HA 4.150 . 6.500 5.469 5.462 5.474 . 0 0 "[ . 1 . 2]" 1
1557 2 26 ILE MD 2 27 ASP H 4.150 . 6.500 3.780 3.706 3.887 . 0 0 "[ . 1 . 2]" 1
1558 2 26 ILE MD 2 28 PRO HA 4.150 . 6.500 4.236 4.151 4.322 . 0 0 "[ . 1 . 2]" 1
1559 2 26 ILE MD 2 30 MET H 4.150 . 6.500 4.812 4.619 4.963 . 0 0 "[ . 1 . 2]" 1
1560 2 26 ILE HA 2 30 MET HB2 3.400 . 5.000 4.766 4.720 4.814 . 0 0 "[ . 1 . 2]" 1
1561 2 26 ILE HA 2 30 MET HB3 3.650 . 5.500 5.528 5.506 5.541 0.041 2 0 "[ . 1 . 2]" 1
1562 2 26 ILE HA 2 30 MET ME 4.150 . 6.500 3.636 3.421 3.815 . 0 0 "[ . 1 . 2]" 1
1563 2 26 ILE HB 2 30 MET HB2 2.650 . 3.500 3.122 3.034 3.234 . 0 0 "[ . 1 . 2]" 1
1564 2 26 ILE HB 2 30 MET HB3 3.650 . 5.500 3.829 3.717 3.978 . 0 0 "[ . 1 . 2]" 1
1565 2 26 ILE HB 2 30 MET HG3 3.650 . 5.500 4.276 3.889 5.443 . 0 0 "[ . 1 . 2]" 1
1566 2 26 ILE HB 2 30 MET ME 4.150 . 6.500 3.234 3.159 3.322 . 0 0 "[ . 1 . 2]" 1
1567 2 26 ILE HG12 2 30 MET ME 4.400 . 7.000 5.286 5.167 5.351 . 0 0 "[ . 1 . 2]" 1
1568 2 26 ILE MG 2 30 MET HB2 3.400 . 5.000 4.088 4.072 4.106 . 0 0 "[ . 1 . 2]" 1
1569 2 26 ILE MG 2 30 MET ME 4.150 . 6.500 2.612 2.415 2.704 . 0 0 "[ . 1 . 2]" 1
1570 2 26 ILE MD 2 30 MET HB2 3.400 . 5.000 3.675 3.373 3.906 . 0 0 "[ . 1 . 2]" 1
1571 2 26 ILE MD 2 30 MET HB3 4.400 . 7.000 4.191 3.948 4.455 . 0 0 "[ . 1 . 2]" 1
1572 2 26 ILE MD 2 30 MET QG 4.650 . 7.500 4.956 4.646 5.479 . 0 0 "[ . 1 . 2]" 1
1573 2 26 ILE MD 2 30 MET ME 4.150 . 6.500 4.214 4.133 4.247 . 0 0 "[ . 1 . 2]" 1
1574 2 26 ILE MD 2 31 VAL HA 4.150 . 6.500 4.618 4.480 4.881 . 0 0 "[ . 1 . 2]" 1
1575 2 26 ILE HA 2 51 LEU HA 3.400 . 5.000 5.059 5.044 5.084 0.084 17 0 "[ . 1 . 2]" 1
1576 2 26 ILE HA 2 51 LEU QD 4.850 . 7.900 4.580 4.292 4.900 . 0 0 "[ . 1 . 2]" 1
1577 2 26 ILE HB 2 51 LEU QD 4.850 . 7.900 3.683 3.332 4.103 . 0 0 "[ . 1 . 2]" 1
1578 2 26 ILE QG 2 51 LEU HA 4.150 . 6.500 4.649 4.568 4.813 . 0 0 "[ . 1 . 2]" 1
1579 2 26 ILE MG 2 51 LEU HA 3.400 . 5.000 2.000 1.947 2.096 . 0 0 "[ . 1 . 2]" 1
1580 2 26 ILE MD 2 51 LEU HA 4.150 . 6.500 4.113 3.980 4.362 . 0 0 "[ . 1 . 2]" 1
1581 2 26 ILE HG12 2 51 LEU QD 4.850 . 7.900 2.776 2.542 3.092 . 0 0 "[ . 1 . 2]" 1
1582 2 26 ILE HG13 2 51 LEU QD 4.850 . 7.900 4.124 3.880 4.481 . 0 0 "[ . 1 . 2]" 1
1583 2 26 ILE MG 2 51 LEU QD 4.500 . 7.200 1.802 1.683 2.005 0.117 17 0 "[ . 1 . 2]" 1
1584 2 26 ILE MD 2 51 LEU QD 4.500 . 7.200 2.608 2.121 3.029 . 0 0 "[ . 1 . 2]" 1
1585 2 26 ILE HA 2 52 PRO HD2 3.400 . 5.000 4.292 4.158 4.476 . 0 0 "[ . 1 . 2]" 1
1586 2 26 ILE HA 2 52 PRO HD3 3.400 . 5.000 3.666 3.579 3.733 . 0 0 "[ . 1 . 2]" 1
1587 2 26 ILE HB 2 52 PRO QG 3.900 . 6.000 4.541 4.397 4.620 . 0 0 "[ . 1 . 2]" 1
1588 2 26 ILE MG 2 52 PRO QG 3.900 . 6.000 2.640 2.579 2.730 . 0 0 "[ . 1 . 2]" 1
1589 2 26 ILE MG 2 52 PRO HD2 3.400 . 5.000 2.221 2.100 2.364 . 0 0 "[ . 1 . 2]" 1
1590 2 26 ILE MG 2 52 PRO HD3 3.400 . 5.000 1.828 1.810 1.871 . 0 0 "[ . 1 . 2]" 1
1591 2 26 ILE MD 2 52 PRO QG 4.650 . 7.500 5.513 5.425 5.546 . 0 0 "[ . 1 . 2]" 1
1592 2 26 ILE MD 2 52 PRO HD2 4.150 . 6.500 5.260 5.127 5.358 . 0 0 "[ . 1 . 2]" 1
1593 2 26 ILE MD 2 52 PRO HD3 4.150 . 6.500 4.588 4.478 4.679 . 0 0 "[ . 1 . 2]" 1
1594 2 27 ASP HA 2 28 PRO QB 3.900 . 6.000 4.659 4.650 4.666 . 0 0 "[ . 1 . 2]" 1
1595 2 27 ASP HA 2 28 PRO HG2 3.400 . 5.000 4.762 4.736 4.777 . 0 0 "[ . 1 . 2]" 1
1596 2 27 ASP HA 2 28 PRO HG3 3.400 . 5.000 4.524 4.504 4.539 . 0 0 "[ . 1 . 2]" 1
1597 2 27 ASP HA 2 28 PRO HD2 2.650 . 3.500 2.745 2.706 2.761 . 0 0 "[ . 1 . 2]" 1
1598 2 27 ASP HA 2 28 PRO HD3 2.650 . 3.500 2.268 2.248 2.282 . 0 0 "[ . 1 . 2]" 1
1599 2 27 ASP H 2 28 PRO QD 3.900 . 6.000 4.438 4.435 4.453 . 0 0 "[ . 1 . 2]" 1
1600 2 27 ASP HB2 2 28 PRO HA 3.650 . 5.500 5.491 5.135 5.525 0.025 12 0 "[ . 1 . 2]" 1
1601 2 27 ASP HB3 2 28 PRO HA 3.650 . 5.500 4.732 4.698 5.027 . 0 0 "[ . 1 . 2]" 1
1602 2 27 ASP HB2 2 28 PRO HD2 3.400 . 5.000 3.645 3.440 3.666 . 0 0 "[ . 1 . 2]" 1
1603 2 27 ASP HB3 2 28 PRO HD2 3.400 . 5.000 1.986 1.963 1.996 . 0 0 "[ . 1 . 2]" 1
1604 2 27 ASP HB2 2 28 PRO HD3 3.400 . 5.000 4.529 4.409 4.547 . 0 0 "[ . 1 . 2]" 1
1605 2 27 ASP HB3 2 28 PRO HD3 3.400 . 5.000 3.262 3.181 3.277 . 0 0 "[ . 1 . 2]" 1
1606 2 27 ASP HA 2 29 GLU H 3.400 . 5.000 4.215 4.184 4.235 . 0 0 "[ . 1 . 2]" 1
1607 2 27 ASP QB 2 29 GLU H 3.900 . 6.000 2.426 2.384 2.683 . 0 0 "[ . 1 . 2]" 1
1608 2 28 PRO QD 2 29 GLU H 2.800 . 3.800 2.379 2.368 2.399 . 0 0 "[ . 1 . 2]" 1
1609 2 28 PRO HA 2 30 MET H 2.650 . 3.500 3.589 3.579 3.598 0.098 4 0 "[ . 1 . 2]" 1
1610 2 28 PRO HA 2 31 VAL H 2.650 . 3.500 3.251 3.128 3.528 0.028 7 0 "[ . 1 . 2]" 1
1611 2 28 PRO HA 2 31 VAL QG 4.100 . 6.400 2.972 2.718 3.069 . 0 0 "[ . 1 . 2]" 1
1612 2 28 PRO QB 2 31 VAL QG 5.350 . 8.900 4.318 4.130 4.393 . 0 0 "[ . 1 . 2]" 1
1613 2 28 PRO QD 2 31 VAL QG 5.350 . 8.900 5.007 4.855 5.135 . 0 0 "[ . 1 . 2]" 1
1614 2 29 GLU H 2 29 GLU QG 3.900 . 6.000 2.417 1.990 3.241 . 0 0 "[ . 1 . 2]" 1
1615 2 29 GLU HA 2 30 MET H 2.650 . 3.500 3.440 3.409 3.457 . 0 0 "[ . 1 . 2]" 1
1616 2 29 GLU H 2 30 MET H 2.650 . 3.500 2.591 2.581 2.603 . 0 0 "[ . 1 . 2]" 1
1617 2 29 GLU H 2 30 MET QB 3.900 . 6.000 4.446 4.423 4.490 . 0 0 "[ . 1 . 2]" 1
1618 2 29 GLU H 2 31 VAL H 3.400 . 5.000 4.182 4.130 4.244 . 0 0 "[ . 1 . 2]" 1
1619 2 29 GLU H 2 31 VAL MG2 4.150 . 6.500 5.185 4.939 5.232 . 0 0 "[ . 1 . 2]" 1
1620 2 30 MET H 2 30 MET HB2 2.300 . 2.800 2.269 2.255 2.292 . 0 0 "[ . 1 . 2]" 1
1621 2 30 MET H 2 30 MET HB3 2.650 . 3.500 3.560 3.552 3.573 0.073 14 0 "[ . 1 . 2]" 1
1622 2 30 MET HA 2 30 MET HB2 2.650 . 3.500 3.017 3.012 3.023 . 0 0 "[ . 1 . 2]" 1
1623 2 30 MET HA 2 30 MET HB3 2.650 . 3.500 2.605 2.582 2.612 . 0 0 "[ . 1 . 2]" 1
1624 2 30 MET HA 2 31 VAL H 2.650 . 3.500 3.468 3.281 3.498 . 0 0 "[ . 1 . 2]" 1
1625 2 30 MET HA 2 31 VAL MG2 4.150 . 6.500 4.604 4.380 4.682 . 0 0 "[ . 1 . 2]" 1
1626 2 30 MET H 2 31 VAL H 2.300 . 2.800 2.295 2.256 2.498 . 0 0 "[ . 1 . 2]" 1
1627 2 30 MET H 2 31 VAL QG 4.850 . 7.900 3.644 3.448 3.704 . 0 0 "[ . 1 . 2]" 1
1628 2 30 MET HB2 2 31 VAL H 3.400 . 5.000 3.159 3.014 3.727 . 0 0 "[ . 1 . 2]" 1
1629 2 30 MET HB3 2 31 VAL H 3.400 . 5.000 3.840 3.745 4.211 . 0 0 "[ . 1 . 2]" 1
1630 2 30 MET HA 2 50 THR HB 2.650 . 3.500 3.162 2.877 3.494 . 0 0 "[ . 1 . 2]" 1
1631 2 30 MET QB 2 50 THR HA 3.900 . 6.000 4.715 4.498 4.901 . 0 0 "[ . 1 . 2]" 1
1632 2 30 MET HB2 2 50 THR HB 3.400 . 5.000 4.179 3.765 4.471 . 0 0 "[ . 1 . 2]" 1
1633 2 30 MET HB3 2 50 THR HB 3.400 . 5.000 2.497 2.080 2.758 . 0 0 "[ . 1 . 2]" 1
1634 2 30 MET HG2 2 50 THR HB 3.400 . 5.000 4.270 3.167 4.725 . 0 0 "[ . 1 . 2]" 1
1635 2 30 MET HG3 2 50 THR HB 3.400 . 5.000 4.804 4.368 5.021 0.021 8 0 "[ . 1 . 2]" 1
1636 2 30 MET ME 2 50 THR HA 4.150 . 6.500 4.589 4.456 4.739 . 0 0 "[ . 1 . 2]" 1
1637 2 30 MET ME 2 50 THR HB 4.150 . 6.500 3.468 3.012 3.640 . 0 0 "[ . 1 . 2]" 1
1638 2 30 MET HA 2 50 THR MG 4.150 . 6.500 4.143 3.802 4.531 . 0 0 "[ . 1 . 2]" 1
1639 2 30 MET HB2 2 50 THR H 3.400 . 5.000 4.758 4.558 4.902 . 0 0 "[ . 1 . 2]" 1
1640 2 30 MET HB3 2 50 THR H 3.400 . 5.000 3.525 3.351 3.643 . 0 0 "[ . 1 . 2]" 1
1641 2 30 MET HB2 2 50 THR MG 4.150 . 6.500 5.059 4.478 5.350 . 0 0 "[ . 1 . 2]" 1
1642 2 30 MET HB3 2 50 THR MG 4.150 . 6.500 3.609 3.039 3.908 . 0 0 "[ . 1 . 2]" 1
1643 2 30 MET HG2 2 50 THR MG 4.150 . 6.500 4.476 2.840 5.070 . 0 0 "[ . 1 . 2]" 1
1644 2 30 MET HG3 2 50 THR MG 4.150 . 6.500 4.916 4.342 5.194 . 0 0 "[ . 1 . 2]" 1
1645 2 30 MET ME 2 50 THR MG 3.550 . 5.300 2.749 2.123 2.974 . 0 0 "[ . 1 . 2]" 1
1646 2 31 VAL H 2 31 VAL HB 2.300 . 2.800 2.572 2.530 2.690 . 0 0 "[ . 1 . 2]" 1
1647 2 31 VAL H 2 32 THR H 3.650 . 5.500 4.462 4.300 4.548 . 0 0 "[ . 1 . 2]" 1
1648 2 31 VAL HB 2 32 THR H 3.400 . 5.000 4.195 4.082 4.287 . 0 0 "[ . 1 . 2]" 1
1649 2 31 VAL MG1 2 32 THR H 4.150 . 6.500 2.655 2.339 2.864 . 0 0 "[ . 1 . 2]" 1
1650 2 31 VAL MG2 2 32 THR H 4.150 . 6.500 4.134 4.057 4.187 . 0 0 "[ . 1 . 2]" 1
1651 2 31 VAL HA 2 48 ASN HA 3.650 . 5.500 5.278 5.236 5.330 . 0 0 "[ . 1 . 2]" 1
1652 2 31 VAL HA 2 49 VAL HA 2.300 . 2.800 2.325 2.183 2.495 . 0 0 "[ . 1 . 2]" 1
1653 2 32 THR H 2 32 THR HB 2.650 . 3.500 2.737 2.617 2.784 . 0 0 "[ . 1 . 2]" 1
1654 2 32 THR H 2 32 THR HA 2.300 . 2.800 2.945 2.935 2.962 0.162 3 0 "[ . 1 . 2]" 1
1655 2 32 THR H 2 33 VAL H 3.400 . 5.000 4.595 4.562 4.612 . 0 0 "[ . 1 . 2]" 1
1656 2 32 THR HA 2 33 VAL H 2.300 . 2.800 2.387 2.354 2.431 . 0 0 "[ . 1 . 2]" 1
1657 2 32 THR HA 2 33 VAL HB 3.400 . 5.000 4.596 4.544 4.643 . 0 0 "[ . 1 . 2]" 1
1658 2 32 THR HA 2 33 VAL MG1 4.150 . 6.500 5.428 5.422 5.434 . 0 0 "[ . 1 . 2]" 1
1659 2 32 THR HA 2 33 VAL MG2 4.150 . 6.500 3.276 3.194 3.372 . 0 0 "[ . 1 . 2]" 1
1660 2 32 THR HB 2 33 VAL H 2.650 . 3.500 3.460 3.381 3.521 0.021 4 0 "[ . 1 . 2]" 1
1661 2 32 THR HB 2 33 VAL HA 3.400 . 5.000 4.336 4.298 4.448 . 0 0 "[ . 1 . 2]" 1
1662 2 32 THR MG 2 33 VAL H 4.150 . 6.500 2.031 1.924 2.143 . 0 0 "[ . 1 . 2]" 1
1663 2 32 THR MG 2 33 VAL HA 4.150 . 6.500 3.878 3.708 3.980 . 0 0 "[ . 1 . 2]" 1
1664 2 32 THR HB 2 34 GLN QB 3.900 . 6.000 5.109 5.046 5.150 . 0 0 "[ . 1 . 2]" 1
1665 2 32 THR HB 2 34 GLN QG 3.900 . 6.000 5.266 4.841 5.403 . 0 0 "[ . 1 . 2]" 1
1666 2 32 THR MG 2 34 GLN H 4.150 . 6.500 4.227 3.730 4.619 . 0 0 "[ . 1 . 2]" 1
1667 2 32 THR MG 2 34 GLN HA 4.150 . 6.500 4.646 4.362 4.863 . 0 0 "[ . 1 . 2]" 1
1668 2 32 THR MG 2 34 GLN HB2 4.150 . 6.500 5.004 4.722 5.148 . 0 0 "[ . 1 . 2]" 1
1669 2 32 THR MG 2 34 GLN HB3 4.150 . 6.500 3.472 3.184 3.640 . 0 0 "[ . 1 . 2]" 1
1670 2 32 THR MG 2 34 GLN HG2 4.150 . 6.500 4.775 3.974 5.101 . 0 0 "[ . 1 . 2]" 1
1671 2 32 THR MG 2 34 GLN HG3 4.150 . 6.500 5.229 5.168 5.271 . 0 0 "[ . 1 . 2]" 1
1672 2 32 THR MG 2 34 GLN HE21 4.150 . 6.500 3.996 2.371 5.106 . 0 0 "[ . 1 . 2]" 1
1673 2 32 THR H 2 47 LEU HA 3.400 . 5.000 4.744 4.449 5.007 0.007 4 0 "[ . 1 . 2]" 1
1674 2 32 THR HA 2 47 LEU HA 3.650 . 5.500 5.225 5.035 5.420 . 0 0 "[ . 1 . 2]" 1
1675 2 32 THR HB 2 47 LEU HA 3.650 . 5.500 4.001 3.739 4.449 . 0 0 "[ . 1 . 2]" 1
1676 2 32 THR MG 2 47 LEU HA 4.150 . 6.500 4.425 4.182 4.616 . 0 0 "[ . 1 . 2]" 1
1677 2 32 THR HA 2 48 ASN QB 3.900 . 6.000 4.103 4.025 4.260 . 0 0 "[ . 1 . 2]" 1
1678 2 32 THR H 2 48 ASN HB2 3.400 . 5.000 2.205 2.094 2.297 . 0 0 "[ . 1 . 2]" 1
1679 2 32 THR H 2 48 ASN HB3 3.400 . 5.000 3.700 3.566 3.798 . 0 0 "[ . 1 . 2]" 1
1680 2 32 THR HB 2 48 ASN H 3.400 . 5.000 2.334 2.120 2.734 . 0 0 "[ . 1 . 2]" 1
1681 2 32 THR HA 2 48 ASN H 3.400 . 5.000 4.204 4.083 4.439 . 0 0 "[ . 1 . 2]" 1
1682 2 32 THR HB 2 48 ASN HA 3.400 . 5.000 4.322 4.208 4.567 . 0 0 "[ . 1 . 2]" 1
1683 2 32 THR HB 2 48 ASN HB2 2.650 . 3.500 2.024 1.946 2.079 . 0 0 "[ . 1 . 2]" 1
1684 2 32 THR HB 2 48 ASN HB3 2.650 . 3.500 3.539 3.514 3.564 0.064 18 0 "[ . 1 . 2]" 1
1685 2 32 THR HB 2 48 ASN HD21 3.400 . 5.000 4.121 3.948 4.368 . 0 0 "[ . 1 . 2]" 1
1686 2 32 THR HB 2 48 ASN HD22 3.650 . 5.500 4.002 3.848 4.371 . 0 0 "[ . 1 . 2]" 1
1687 2 32 THR MG 2 48 ASN HB2 4.150 . 6.500 3.620 3.582 3.697 . 0 0 "[ . 1 . 2]" 1
1688 2 32 THR MG 2 48 ASN HB3 4.150 . 6.500 4.778 4.732 4.913 . 0 0 "[ . 1 . 2]" 1
1689 2 32 THR MG 2 48 ASN H 4.150 . 6.500 3.720 3.559 3.887 . 0 0 "[ . 1 . 2]" 1
1690 2 33 VAL H 2 33 VAL HB 2.300 . 2.800 2.848 2.830 2.877 0.077 8 0 "[ . 1 . 2]" 1
1691 2 33 VAL HA 2 34 GLN H 2.300 . 2.800 2.205 2.187 2.232 . 0 0 "[ . 1 . 2]" 1
1692 2 33 VAL H 2 34 GLN H 3.400 . 5.000 4.087 3.878 4.291 . 0 0 "[ . 1 . 2]" 1
1693 2 33 VAL HB 2 34 GLN HA 3.400 . 5.000 4.651 4.568 4.703 . 0 0 "[ . 1 . 2]" 1
1694 2 33 VAL MG1 2 34 GLN HA 4.150 . 6.500 3.745 3.557 3.931 . 0 0 "[ . 1 . 2]" 1
1695 2 33 VAL MG2 2 34 GLN HA 4.150 . 6.500 5.526 5.502 5.546 . 0 0 "[ . 1 . 2]" 1
1696 2 33 VAL QG 2 34 GLN H 4.850 . 7.900 2.821 2.428 3.142 . 0 0 "[ . 1 . 2]" 1
1697 2 33 VAL HA 2 34 GLN HA 3.650 . 5.500 4.457 4.444 4.483 . 0 0 "[ . 1 . 2]" 1
1698 2 33 VAL HA 2 47 LEU HA 2.300 . 2.800 2.032 1.987 2.087 . 0 0 "[ . 1 . 2]" 1
1699 2 33 VAL HA 2 47 LEU HB2 2.650 . 3.500 3.415 3.254 3.531 0.031 20 0 "[ . 1 . 2]" 1
1700 2 33 VAL HA 2 47 LEU HB3 2.650 . 3.500 2.896 2.721 3.172 . 0 0 "[ . 1 . 2]" 1
1701 2 33 VAL HB 2 47 LEU QB 3.900 . 6.000 4.696 4.579 4.792 . 0 0 "[ . 1 . 2]" 1
1702 2 33 VAL MG1 2 47 LEU HA 3.400 . 5.000 3.597 3.301 3.761 . 0 0 "[ . 1 . 2]" 1
1703 2 33 VAL MG2 2 47 LEU HA 3.400 . 5.000 3.295 3.151 3.425 . 0 0 "[ . 1 . 2]" 1
1704 2 33 VAL MG1 2 47 LEU HB2 4.150 . 6.500 3.866 3.659 4.015 . 0 0 "[ . 1 . 2]" 1
1705 2 33 VAL MG2 2 47 LEU HB2 4.150 . 6.500 2.686 2.526 2.801 . 0 0 "[ . 1 . 2]" 1
1706 2 33 VAL MG1 2 47 LEU HB3 4.150 . 6.500 2.773 2.638 2.902 . 0 0 "[ . 1 . 2]" 1
1707 2 33 VAL MG2 2 47 LEU HB3 4.150 . 6.500 2.774 2.539 2.887 . 0 0 "[ . 1 . 2]" 1
1708 2 33 VAL HB 2 47 LEU HA 3.400 . 5.000 5.005 4.936 5.054 0.054 2 0 "[ . 1 . 2]" 1
1709 2 33 VAL HA 2 48 ASN H 3.400 . 5.000 3.435 3.247 3.553 . 0 0 "[ . 1 . 2]" 1
1710 2 34 GLN H 2 34 GLN HB3 2.650 . 3.500 3.271 3.087 3.449 . 0 0 "[ . 1 . 2]" 1
1711 2 34 GLN HA 2 34 GLN HB2 2.300 . 2.800 2.509 2.467 2.532 . 0 0 "[ . 1 . 2]" 1
1712 2 34 GLN HA 2 34 GLN HB3 2.300 . 2.800 2.433 2.410 2.465 . 0 0 "[ . 1 . 2]" 1
1713 2 34 GLN H 2 35 LEU H 3.400 . 5.000 4.313 4.155 4.446 . 0 0 "[ . 1 . 2]" 1
1714 2 34 GLN HA 2 35 LEU H 2.300 . 2.800 2.209 2.163 2.269 . 0 0 "[ . 1 . 2]" 1
1715 2 34 GLN HA 2 35 LEU HA 3.400 . 5.000 4.437 4.418 4.452 . 0 0 "[ . 1 . 2]" 1
1716 2 34 GLN HA 2 35 LEU HB3 3.650 . 5.500 4.655 4.605 4.739 . 0 0 "[ . 1 . 2]" 1
1717 2 34 GLN HA 2 35 LEU HG 3.400 . 5.000 4.199 4.005 4.347 . 0 0 "[ . 1 . 2]" 1
1718 2 34 GLN HA 2 35 LEU QD 4.850 . 7.900 3.191 2.873 3.673 . 0 0 "[ . 1 . 2]" 1
1719 2 34 GLN HB2 2 35 LEU QD 4.850 . 7.900 4.683 4.390 5.076 . 0 0 "[ . 1 . 2]" 1
1720 2 34 GLN HB3 2 35 LEU QD 4.850 . 7.900 5.156 4.893 5.576 . 0 0 "[ . 1 . 2]" 1
1721 2 34 GLN QB 2 35 LEU H 3.150 . 4.500 3.217 2.998 3.414 . 0 0 "[ . 1 . 2]" 1
1722 2 34 GLN QB 2 35 LEU HA 3.900 . 6.000 4.598 4.500 4.726 . 0 0 "[ . 1 . 2]" 1
1723 2 34 GLN QG 2 35 LEU HA 3.900 . 6.000 4.237 4.135 4.338 . 0 0 "[ . 1 . 2]" 1
1724 2 34 GLN QB 2 35 LEU HB3 4.150 . 6.500 5.633 5.524 5.719 . 0 0 "[ . 1 . 2]" 1
1725 2 34 GLN HA 2 45 LEU HA 3.650 . 5.500 5.510 5.185 5.643 0.143 4 0 "[ . 1 . 2]" 1
1726 2 34 GLN QG 2 45 LEU HA 3.900 . 6.000 4.425 3.974 4.907 . 0 0 "[ . 1 . 2]" 1
1727 2 34 GLN H 2 46 GLU H 2.650 . 3.500 3.467 3.316 3.517 0.017 14 0 "[ . 1 . 2]" 1
1728 2 34 GLN HE21 2 46 GLU QB 3.150 . 4.500 3.233 1.944 3.887 . 0 0 "[ . 1 . 2]" 1
1729 2 34 GLN HE22 2 46 GLU QB 3.900 . 6.000 3.955 3.204 4.358 . 0 0 "[ . 1 . 2]" 1
1730 2 34 GLN H 2 47 LEU HA 2.650 . 3.500 2.960 2.875 3.059 . 0 0 "[ . 1 . 2]" 1
1731 2 34 GLN HE22 2 48 ASN HD21 2.650 . 3.500 3.508 3.399 3.594 0.094 20 0 "[ . 1 . 2]" 1
1732 2 34 GLN HE21 2 48 ASN HD22 3.400 . 5.000 3.108 2.330 3.779 . 0 0 "[ . 1 . 2]" 1
1733 2 35 LEU H 2 35 LEU HB2 2.650 . 3.500 3.660 3.637 3.688 0.188 3 0 "[ . 1 . 2]" 1
1734 2 35 LEU H 2 35 LEU HB3 2.650 . 3.500 2.971 2.819 3.100 . 0 0 "[ . 1 . 2]" 1
1735 2 35 LEU H 2 35 LEU HG 3.400 . 5.000 2.099 1.970 2.234 . 0 0 "[ . 1 . 2]" 1
1736 2 35 LEU H 2 35 LEU QD 4.850 . 7.900 2.094 1.934 2.375 . 0 0 "[ . 1 . 2]" 1
1737 2 35 LEU HA 2 35 LEU HB2 2.300 . 2.800 2.494 2.469 2.538 . 0 0 "[ . 1 . 2]" 1
1738 2 35 LEU HA 2 35 LEU HB3 2.300 . 2.800 2.418 2.388 2.436 . 0 0 "[ . 1 . 2]" 1
1739 2 35 LEU H 2 36 GLU H 3.400 . 5.000 4.529 4.403 4.579 . 0 0 "[ . 1 . 2]" 1
1740 2 35 LEU HA 2 36 GLU H 2.300 . 2.800 2.255 2.164 2.388 . 0 0 "[ . 1 . 2]" 1
1741 2 35 LEU HA 2 36 GLU QG 3.900 . 6.000 3.829 3.386 4.162 . 0 0 "[ . 1 . 2]" 1
1742 2 35 LEU HB2 2 36 GLU H 3.400 . 5.000 2.945 2.500 3.463 . 0 0 "[ . 1 . 2]" 1
1743 2 35 LEU HB3 2 36 GLU H 3.400 . 5.000 4.003 3.758 4.275 . 0 0 "[ . 1 . 2]" 1
1744 2 35 LEU HG 2 36 GLU H 3.400 . 5.000 4.299 4.027 4.545 . 0 0 "[ . 1 . 2]" 1
1745 2 35 LEU QB 2 36 GLU HA 3.900 . 6.000 4.313 4.162 4.515 . 0 0 "[ . 1 . 2]" 1
1746 2 35 LEU HG 2 36 GLU HA 3.400 . 5.000 4.284 4.078 4.510 . 0 0 "[ . 1 . 2]" 1
1747 2 35 LEU QD 2 36 GLU H 4.850 . 7.900 3.916 3.648 4.181 . 0 0 "[ . 1 . 2]" 1
1748 2 35 LEU QD 2 36 GLU HA 4.850 . 7.900 3.964 3.655 4.257 . 0 0 "[ . 1 . 2]" 1
1749 2 35 LEU HA 2 36 GLU HA 3.400 . 5.000 4.490 4.443 4.558 . 0 0 "[ . 1 . 2]" 1
1750 2 35 LEU QD 2 37 GLN H 4.850 . 7.900 5.419 4.646 5.580 . 0 0 "[ . 1 . 2]" 1
1751 2 35 LEU HB2 2 37 GLN QG 3.900 . 6.000 4.483 4.120 4.970 . 0 0 "[ . 1 . 2]" 1
1752 2 35 LEU QD 2 37 GLN QG 4.600 . 7.400 3.750 3.232 4.224 . 0 0 "[ . 1 . 2]" 1
1753 2 35 LEU QD 2 37 GLN HE21 4.100 . 6.400 2.970 2.632 3.511 . 0 0 "[ . 1 . 2]" 1
1754 2 35 LEU QD 2 37 GLN HE22 4.100 . 6.400 3.557 2.084 4.123 . 0 0 "[ . 1 . 2]" 1
1755 2 35 LEU HA 2 45 LEU HA 2.300 . 2.800 1.923 1.885 1.983 . 0 0 "[ . 1 . 2]" 1
1756 2 35 LEU HA 2 45 LEU QB 3.900 . 6.000 3.670 3.376 3.906 . 0 0 "[ . 1 . 2]" 1
1757 2 35 LEU HA 2 45 LEU QD 4.100 . 6.400 3.488 3.093 3.799 . 0 0 "[ . 1 . 2]" 1
1758 2 35 LEU HB2 2 45 LEU HA 3.400 . 5.000 3.799 3.454 4.159 . 0 0 "[ . 1 . 2]" 1
1759 2 35 LEU HB3 2 45 LEU HA 3.400 . 5.000 3.470 3.164 3.821 . 0 0 "[ . 1 . 2]" 1
1760 2 35 LEU HB2 2 45 LEU QB 3.900 . 6.000 4.192 3.954 4.450 . 0 0 "[ . 1 . 2]" 1
1761 2 35 LEU HB3 2 45 LEU QB 3.900 . 6.000 3.878 3.723 3.969 . 0 0 "[ . 1 . 2]" 1
1762 2 35 LEU HB2 2 45 LEU HG 3.400 . 5.000 4.618 4.213 5.011 0.011 4 0 "[ . 1 . 2]" 1
1763 2 35 LEU HB3 2 45 LEU HG 3.400 . 5.000 3.428 3.086 3.872 . 0 0 "[ . 1 . 2]" 1
1764 2 35 LEU HB2 2 45 LEU QD 4.100 . 6.400 3.589 3.038 4.016 . 0 0 "[ . 1 . 2]" 1
1765 2 35 LEU HB3 2 45 LEU QD 4.100 . 6.400 2.527 1.959 3.067 . 0 0 "[ . 1 . 2]" 1
1766 2 35 LEU QD 2 45 LEU HA 4.850 . 7.900 4.425 4.226 4.654 . 0 0 "[ . 1 . 2]" 1
1767 2 35 LEU QD 2 45 LEU HB2 4.850 . 7.900 4.821 4.729 4.878 . 0 0 "[ . 1 . 2]" 1
1768 2 35 LEU QD 2 45 LEU HB3 4.850 . 7.900 5.876 5.806 5.916 . 0 0 "[ . 1 . 2]" 1
1769 2 35 LEU QD 2 45 LEU QD 5.200 . 8.600 3.155 2.832 3.444 . 0 0 "[ . 1 . 2]" 1
1770 2 36 GLU H 2 36 GLU HB2 2.650 . 3.500 2.679 2.427 2.894 . 0 0 "[ . 1 . 2]" 1
1771 2 36 GLU H 2 36 GLU HG2 3.400 . 5.000 3.248 2.509 3.507 . 0 0 "[ . 1 . 2]" 1
1772 2 36 GLU H 2 36 GLU HG3 3.400 . 5.000 4.440 4.009 4.645 . 0 0 "[ . 1 . 2]" 1
1773 2 36 GLU HA 2 36 GLU HB2 2.650 . 3.500 3.021 3.012 3.034 . 0 0 "[ . 1 . 2]" 1
1774 2 36 GLU HA 2 36 GLU HB3 2.300 . 2.800 2.555 2.364 2.607 . 0 0 "[ . 1 . 2]" 1
1775 2 36 GLU HA 2 37 GLN H 2.300 . 2.800 2.563 2.208 2.636 . 0 0 "[ . 1 . 2]" 1
1776 2 36 GLU H 2 37 GLN H 3.400 . 5.000 4.427 4.177 4.501 . 0 0 "[ . 1 . 2]" 1
1777 2 36 GLU HA 2 37 GLN HA 3.400 . 5.000 4.576 4.449 4.600 . 0 0 "[ . 1 . 2]" 1
1778 2 36 GLU QB 2 38 LYS QG 4.400 . 7.000 4.559 4.139 5.086 . 0 0 "[ . 1 . 2]" 1
1779 2 36 GLU HA 2 43 SER HA 3.650 . 5.500 5.606 5.459 5.700 0.200 17 0 "[ . 1 . 2]" 1
1780 2 36 GLU QG 2 44 ILE H 3.900 . 6.000 5.174 4.251 5.375 . 0 0 "[ . 1 . 2]" 1
1781 2 36 GLU H 2 44 ILE H 2.650 . 3.500 2.681 2.536 2.889 . 0 0 "[ . 1 . 2]" 1
1782 2 36 GLU HB2 2 44 ILE MG 3.400 . 5.000 2.726 2.316 3.528 . 0 0 "[ . 1 . 2]" 1
1783 2 36 GLU HB3 2 44 ILE MG 4.150 . 6.500 3.917 3.546 4.781 . 0 0 "[ . 1 . 2]" 1
1784 2 36 GLU HB2 2 44 ILE MD 3.400 . 5.000 3.257 2.314 4.325 . 0 0 "[ . 1 . 2]" 1
1785 2 36 GLU HB3 2 44 ILE MD 4.150 . 6.500 3.581 2.882 5.501 . 0 0 "[ . 1 . 2]" 1
1786 2 36 GLU HG2 2 44 ILE MG 3.400 . 5.000 4.044 3.935 4.112 . 0 0 "[ . 1 . 2]" 1
1787 2 36 GLU HG3 2 44 ILE MG 3.400 . 5.000 3.887 3.596 4.044 . 0 0 "[ . 1 . 2]" 1
1788 2 36 GLU HB2 2 44 ILE HG12 3.650 . 5.500 4.516 2.995 4.852 . 0 0 "[ . 1 . 2]" 1
1789 2 36 GLU HB3 2 44 ILE HG12 3.650 . 5.500 5.341 4.248 5.554 0.054 13 0 "[ . 1 . 2]" 1
1790 2 36 GLU HB2 2 44 ILE HG13 3.400 . 5.000 3.982 3.002 4.301 . 0 0 "[ . 1 . 2]" 1
1791 2 36 GLU HB3 2 44 ILE HG13 3.400 . 5.000 4.467 3.734 4.646 . 0 0 "[ . 1 . 2]" 1
1792 2 36 GLU H 2 45 LEU HA 3.400 . 5.000 3.190 2.748 3.625 . 0 0 "[ . 1 . 2]" 1
1793 2 36 GLU HB2 2 45 LEU HA 3.400 . 5.000 4.984 4.407 5.105 0.105 5 0 "[ . 1 . 2]" 1
1794 2 37 GLN H 2 37 GLN QG 3.900 . 6.000 3.389 2.878 3.787 . 0 0 "[ . 1 . 2]" 1
1795 2 37 GLN HA 2 38 LYS H 2.300 . 2.800 2.359 2.286 2.521 . 0 0 "[ . 1 . 2]" 1
1796 2 37 GLN HA 2 38 LYS HA 3.400 . 5.000 4.457 4.433 4.519 . 0 0 "[ . 1 . 2]" 1
1797 2 37 GLN HA 2 38 LYS QG 3.900 . 6.000 3.978 3.105 4.748 . 0 0 "[ . 1 . 2]" 1
1798 2 37 GLN HA 2 38 LYS QD 3.900 . 6.000 4.159 3.723 5.410 . 0 0 "[ . 1 . 2]" 1
1799 2 37 GLN QG 2 38 LYS H 3.900 . 6.000 3.722 3.310 4.160 . 0 0 "[ . 1 . 2]" 1
1800 2 37 GLN QB 2 43 SER HA 3.150 . 4.500 3.564 3.280 3.828 . 0 0 "[ . 1 . 2]" 1
1801 2 37 GLN QG 2 43 SER HA 3.900 . 6.000 2.261 1.973 2.983 . 0 0 "[ . 1 . 2]" 1
1802 2 37 GLN H 2 43 SER HA 3.400 . 5.000 4.694 4.571 4.770 . 0 0 "[ . 1 . 2]" 1
1803 2 37 GLN HA 2 43 SER HA 2.300 . 2.800 2.003 1.960 2.060 . 0 0 "[ . 1 . 2]" 1
1804 2 37 GLN HA 2 43 SER HB2 3.400 . 5.000 5.008 4.971 5.030 0.030 6 0 "[ . 1 . 2]" 1
1805 2 37 GLN HA 2 43 SER HB3 3.400 . 5.000 4.271 4.105 4.445 . 0 0 "[ . 1 . 2]" 1
1806 2 37 GLN HB2 2 43 SER HA 3.400 . 5.000 4.499 4.308 4.824 . 0 0 "[ . 1 . 2]" 1
1807 2 37 GLN HB3 2 43 SER HA 3.400 . 5.000 3.749 3.373 4.159 . 0 0 "[ . 1 . 2]" 1
1808 2 37 GLN QB 2 43 SER QB 4.400 . 7.000 4.951 4.623 5.325 . 0 0 "[ . 1 . 2]" 1
1809 2 37 GLN QG 2 43 SER HB2 3.900 . 6.000 4.303 3.859 5.019 . 0 0 "[ . 1 . 2]" 1
1810 2 37 GLN QG 2 43 SER HB3 3.900 . 6.000 3.312 2.757 4.081 . 0 0 "[ . 1 . 2]" 1
1811 2 37 GLN H 2 44 ILE H 3.400 . 5.000 4.607 4.128 4.811 . 0 0 "[ . 1 . 2]" 1
1812 2 37 GLN HA 2 44 ILE HB 3.400 . 5.000 4.071 3.817 4.716 . 0 0 "[ . 1 . 2]" 1
1813 2 37 GLN HA 2 44 ILE HG12 3.400 . 5.000 4.705 2.827 5.056 0.056 16 0 "[ . 1 . 2]" 1
1814 2 37 GLN HA 2 44 ILE HG13 3.400 . 5.000 3.450 3.246 4.498 . 0 0 "[ . 1 . 2]" 1
1815 2 37 GLN HA 2 44 ILE MG 4.150 . 6.500 5.336 5.209 5.535 . 0 0 "[ . 1 . 2]" 1
1816 2 37 GLN HA 2 44 ILE MD 4.150 . 6.500 3.997 3.745 4.366 . 0 0 "[ . 1 . 2]" 1
1817 2 38 LYS H 2 38 LYS QG 3.900 . 6.000 3.128 2.590 3.639 . 0 0 "[ . 1 . 2]" 1
1818 2 38 LYS H 2 38 LYS QD 3.900 . 6.000 3.349 2.942 4.533 . 0 0 "[ . 1 . 2]" 1
1819 2 38 LYS HA 2 38 LYS QD 3.900 . 6.000 3.890 3.451 4.046 . 0 0 "[ . 1 . 2]" 1
1820 2 38 LYS H 2 39 ASP H 3.400 . 5.000 4.527 4.480 4.568 . 0 0 "[ . 1 . 2]" 1
1821 2 38 LYS HA 2 39 ASP H 2.650 . 3.500 2.498 2.416 2.595 . 0 0 "[ . 1 . 2]" 1
1822 2 38 LYS QB 2 39 ASP H 3.150 . 4.500 2.327 2.140 2.607 . 0 0 "[ . 1 . 2]" 1
1823 2 38 LYS QB 2 39 ASP HA 3.900 . 6.000 4.361 4.268 4.420 . 0 0 "[ . 1 . 2]" 1
1824 2 38 LYS QG 2 39 ASP H 3.900 . 6.000 3.684 3.263 4.368 . 0 0 "[ . 1 . 2]" 1
1825 2 38 LYS QD 2 39 ASP H 3.900 . 6.000 5.101 4.410 5.296 . 0 0 "[ . 1 . 2]" 1
1826 2 38 LYS H 2 42 ILE H 3.400 . 5.000 2.903 2.656 3.230 . 0 0 "[ . 1 . 2]" 1
1827 2 38 LYS H 2 42 ILE HG13 3.400 . 5.000 4.628 4.481 5.004 0.004 13 0 "[ . 1 . 2]" 1
1828 2 38 LYS HA 2 42 ILE HB 3.400 . 5.000 4.794 4.656 4.851 . 0 0 "[ . 1 . 2]" 1
1829 2 38 LYS HA 2 42 ILE MG 4.400 . 7.000 5.828 5.662 5.906 . 0 0 "[ . 1 . 2]" 1
1830 2 38 LYS QB 2 42 ILE HA 3.900 . 6.000 4.595 4.316 4.809 . 0 0 "[ . 1 . 2]" 1
1831 2 38 LYS QB 2 42 ILE HB 3.150 . 4.500 1.948 1.896 2.017 . 0 0 "[ . 1 . 2]" 1
1832 2 38 LYS QD 2 42 ILE HA 3.900 . 6.000 4.821 4.402 5.351 . 0 0 "[ . 1 . 2]" 1
1833 2 38 LYS QD 2 42 ILE MG 3.900 . 6.000 2.647 2.268 3.194 . 0 0 "[ . 1 . 2]" 1
1834 2 38 LYS QD 2 42 ILE MD 3.900 . 6.000 3.215 2.172 3.895 . 0 0 "[ . 1 . 2]" 1
1835 2 38 LYS HE2 2 42 ILE MG 4.150 . 6.500 2.291 1.957 3.201 . 0 0 "[ . 1 . 2]" 1
1836 2 38 LYS HE2 2 42 ILE MD 4.150 . 6.500 2.311 1.954 4.125 . 0 0 "[ . 1 . 2]" 1
1837 2 38 LYS HE3 2 42 ILE MG 4.150 . 6.500 3.034 1.935 3.336 . 0 0 "[ . 1 . 2]" 1
1838 2 38 LYS HE3 2 42 ILE MD 4.150 . 6.500 2.201 1.951 4.248 . 0 0 "[ . 1 . 2]" 1
1839 2 38 LYS HE2 2 42 ILE HA 3.650 . 5.500 5.389 4.785 5.526 0.026 18 0 "[ . 1 . 2]" 1
1840 2 38 LYS HE3 2 42 ILE HA 3.650 . 5.500 5.434 4.799 5.526 0.026 19 0 "[ . 1 . 2]" 1
1841 2 38 LYS H 2 43 SER HA 2.650 . 3.500 3.496 3.378 3.529 0.029 7 0 "[ . 1 . 2]" 1
1842 2 38 LYS QD 2 43 SER HA 4.150 . 6.500 4.550 4.067 5.729 . 0 0 "[ . 1 . 2]" 1
1843 2 38 LYS QD 2 44 ILE HA 4.150 . 6.500 4.894 4.379 6.005 . 0 0 "[ . 1 . 2]" 1
1844 2 38 LYS QG 2 44 ILE MD 3.900 . 6.000 2.316 1.906 3.667 . 0 0 "[ . 1 . 2]" 1
1845 2 38 LYS QD 2 44 ILE MD 3.900 . 6.000 1.909 1.715 2.575 0.085 20 0 "[ . 1 . 2]" 1
1846 2 38 LYS QD 2 44 ILE QG 4.650 . 7.500 2.446 1.964 3.451 . 0 0 "[ . 1 . 2]" 1
1847 2 38 LYS HE2 2 44 ILE MD 4.400 . 7.000 3.670 1.998 4.240 . 0 0 "[ . 1 . 2]" 1
1848 2 38 LYS HE3 2 44 ILE MD 4.400 . 7.000 4.087 2.194 4.478 . 0 0 "[ . 1 . 2]" 1
1849 2 39 ASP H 2 39 ASP HA 2.300 . 2.800 2.903 2.886 2.912 0.112 16 0 "[ . 1 . 2]" 1
1850 2 39 ASP H 2 40 GLY H 3.400 . 5.000 2.847 2.506 3.613 . 0 0 "[ . 1 . 2]" 1
1851 2 39 ASP HA 2 40 GLY H 2.650 . 3.500 3.192 2.600 3.430 . 0 0 "[ . 1 . 2]" 1
1852 2 39 ASP HB2 2 40 GLY H 3.400 . 5.000 3.921 3.388 4.684 . 0 0 "[ . 1 . 2]" 1
1853 2 39 ASP HB3 2 40 GLY H 3.400 . 5.000 4.115 3.424 4.694 . 0 0 "[ . 1 . 2]" 1
1854 2 39 ASP QB 2 40 GLY HA3 3.900 . 6.000 4.694 4.523 5.131 . 0 0 "[ . 1 . 2]" 1
1855 2 39 ASP QB 2 40 GLY HA2 3.900 . 6.000 4.274 4.063 4.780 . 0 0 "[ . 1 . 2]" 1
1856 2 39 ASP QB 2 41 ASP H 4.150 . 6.500 4.765 4.513 5.444 . 0 0 "[ . 1 . 2]" 1
1857 2 40 GLY H 2 41 ASP H 2.650 . 3.500 2.657 1.958 2.913 . 0 0 "[ . 1 . 2]" 1
1858 2 40 GLY HA3 2 41 ASP H 2.650 . 3.500 3.515 3.511 3.521 0.021 2 0 "[ . 1 . 2]" 1
1859 2 40 GLY HA2 2 41 ASP H 2.650 . 3.500 2.951 2.934 2.967 . 0 0 "[ . 1 . 2]" 1
1860 2 40 GLY HA3 2 41 ASP HB2 3.650 . 5.500 4.482 4.470 4.512 . 0 0 "[ . 1 . 2]" 1
1861 2 40 GLY HA2 2 41 ASP HB2 3.650 . 5.500 4.040 4.022 4.110 . 0 0 "[ . 1 . 2]" 1
1862 2 40 GLY HA3 2 41 ASP HA 3.650 . 5.500 5.354 5.350 5.359 . 0 0 "[ . 1 . 2]" 1
1863 2 40 GLY HA2 2 41 ASP HA 3.650 . 5.500 4.952 4.940 4.962 . 0 0 "[ . 1 . 2]" 1
1864 2 40 GLY H 2 42 ILE H 3.400 . 5.000 3.377 2.872 3.619 . 0 0 "[ . 1 . 2]" 1
1865 2 40 GLY HA3 2 42 ILE H 3.400 . 5.000 4.432 4.304 4.546 . 0 0 "[ . 1 . 2]" 1
1866 2 40 GLY HA2 2 42 ILE H 3.400 . 5.000 4.912 4.783 4.998 . 0 0 "[ . 1 . 2]" 1
1867 2 40 GLY HA3 2 42 ILE HG12 3.650 . 5.500 4.308 4.257 4.355 . 0 0 "[ . 1 . 2]" 1
1868 2 40 GLY HA2 2 42 ILE HG12 3.650 . 5.500 5.468 5.432 5.504 0.004 16 0 "[ . 1 . 2]" 1
1869 2 40 GLY HA3 2 42 ILE HG13 3.650 . 5.500 2.905 2.863 2.993 . 0 0 "[ . 1 . 2]" 1
1870 2 40 GLY HA2 2 42 ILE HG13 3.650 . 5.500 4.146 4.113 4.218 . 0 0 "[ . 1 . 2]" 1
1871 2 40 GLY HA3 2 42 ILE MD 4.150 . 6.500 3.156 3.018 3.331 . 0 0 "[ . 1 . 2]" 1
1872 2 40 GLY HA2 2 42 ILE MD 4.150 . 6.500 4.634 4.544 4.737 . 0 0 "[ . 1 . 2]" 1
1873 2 41 ASP H 2 41 ASP HA 2.300 . 2.800 2.340 2.337 2.345 . 0 0 "[ . 1 . 2]" 1
1874 2 41 ASP HA 2 41 ASP HB2 2.650 . 3.500 3.016 3.013 3.025 . 0 0 "[ . 1 . 2]" 1
1875 2 41 ASP HA 2 41 ASP HB3 2.300 . 2.800 2.601 2.567 2.607 . 0 0 "[ . 1 . 2]" 1
1876 2 41 ASP H 2 42 ILE H 2.300 . 2.800 2.753 2.688 2.790 . 0 0 "[ . 1 . 2]" 1
1877 2 41 ASP H 2 42 ILE HA 3.650 . 5.500 5.355 5.336 5.369 . 0 0 "[ . 1 . 2]" 1
1878 2 41 ASP H 2 42 ILE HB 3.400 . 5.000 5.053 5.030 5.081 0.081 17 0 "[ . 1 . 2]" 1
1879 2 41 ASP H 2 42 ILE HG12 3.400 . 5.000 5.026 5.007 5.044 0.044 13 0 "[ . 1 . 2]" 1
1880 2 41 ASP H 2 42 ILE HG13 3.400 . 5.000 3.758 3.707 3.810 . 0 0 "[ . 1 . 2]" 1
1881 2 41 ASP H 2 42 ILE MD 4.400 . 7.000 5.082 5.006 5.167 . 0 0 "[ . 1 . 2]" 1
1882 2 41 ASP HA 2 42 ILE H 2.650 . 3.500 2.733 2.698 2.783 . 0 0 "[ . 1 . 2]" 1
1883 2 41 ASP HA 2 42 ILE HG12 3.400 . 5.000 5.037 5.027 5.047 0.047 11 0 "[ . 1 . 2]" 1
1884 2 41 ASP HA 2 42 ILE HG13 3.400 . 5.000 4.467 4.413 4.529 . 0 0 "[ . 1 . 2]" 1
1885 2 41 ASP HA 2 42 ILE MD 4.400 . 7.000 5.785 5.745 5.831 . 0 0 "[ . 1 . 2]" 1
1886 2 41 ASP HA 2 42 ILE MG 4.400 . 7.000 5.756 5.739 5.774 . 0 0 "[ . 1 . 2]" 1
1887 2 41 ASP HB2 2 42 ILE H 3.400 . 5.000 4.339 4.283 4.375 . 0 0 "[ . 1 . 2]" 1
1888 2 41 ASP HB3 2 42 ILE H 3.400 . 5.000 4.383 4.374 4.408 . 0 0 "[ . 1 . 2]" 1
1889 2 41 ASP HB2 2 42 ILE HA 3.650 . 5.500 5.099 5.029 5.127 . 0 0 "[ . 1 . 2]" 1
1890 2 41 ASP HB3 2 42 ILE HA 3.650 . 5.500 4.625 4.609 4.670 . 0 0 "[ . 1 . 2]" 1
1891 2 41 ASP HB2 2 42 ILE MD 4.150 . 6.500 5.155 5.054 5.213 . 0 0 "[ . 1 . 2]" 1
1892 2 41 ASP HB3 2 42 ILE MD 4.400 . 7.000 5.850 5.791 5.877 . 0 0 "[ . 1 . 2]" 1
1893 2 41 ASP HB2 2 42 ILE HG12 3.400 . 5.000 4.344 4.212 4.406 . 0 0 "[ . 1 . 2]" 1
1894 2 41 ASP HB3 2 42 ILE HG12 3.400 . 5.000 4.744 4.678 4.780 . 0 0 "[ . 1 . 2]" 1
1895 2 41 ASP HB2 2 42 ILE HG13 3.400 . 5.000 4.210 4.106 4.272 . 0 0 "[ . 1 . 2]" 1
1896 2 41 ASP HB3 2 42 ILE HG13 3.650 . 5.500 4.945 4.899 4.976 . 0 0 "[ . 1 . 2]" 1
1897 2 42 ILE H 2 42 ILE HA 2.650 . 3.500 2.988 2.986 2.991 . 0 0 "[ . 1 . 2]" 1
1898 2 42 ILE H 2 42 ILE HB 2.300 . 2.800 2.785 2.754 2.810 0.010 17 0 "[ . 1 . 2]" 1
1899 2 42 ILE H 2 42 ILE HG12 2.650 . 3.500 3.553 3.533 3.574 0.074 14 0 "[ . 1 . 2]" 1
1900 2 42 ILE H 2 42 ILE HG13 2.650 . 3.500 2.631 2.598 2.660 . 0 0 "[ . 1 . 2]" 1
1901 2 42 ILE H 2 42 ILE MD 4.150 . 6.500 4.101 4.081 4.129 . 0 0 "[ . 1 . 2]" 1
1902 2 42 ILE HA 2 42 ILE HB 2.650 . 3.500 3.023 3.011 3.027 . 0 0 "[ . 1 . 2]" 1
1903 2 42 ILE HA 2 42 ILE HG12 2.650 . 3.500 2.557 2.518 2.594 . 0 0 "[ . 1 . 2]" 1
1904 2 42 ILE HA 2 42 ILE HG13 2.650 . 3.500 3.313 3.298 3.336 . 0 0 "[ . 1 . 2]" 1
1905 2 42 ILE H 2 43 SER H 3.400 . 5.000 4.483 4.376 4.500 . 0 0 "[ . 1 . 2]" 1
1906 2 42 ILE HA 2 43 SER H 2.300 . 2.800 2.355 2.216 2.412 . 0 0 "[ . 1 . 2]" 1
1907 2 42 ILE HA 2 43 SER HA 3.400 . 5.000 4.475 4.445 4.505 . 0 0 "[ . 1 . 2]" 1
1908 2 42 ILE HA 2 43 SER QB 3.900 . 6.000 4.406 4.211 4.639 . 0 0 "[ . 1 . 2]" 1
1909 2 42 ILE HB 2 43 SER H 3.400 . 5.000 3.658 3.535 4.053 . 0 0 "[ . 1 . 2]" 1
1910 2 42 ILE HG12 2 43 SER H 3.400 . 5.000 4.493 4.422 4.620 . 0 0 "[ . 1 . 2]" 1
1911 2 42 ILE HG13 2 43 SER H 3.650 . 5.500 5.123 5.066 5.271 . 0 0 "[ . 1 . 2]" 1
1912 2 42 ILE MG 2 43 SER H 4.150 . 6.500 1.999 1.908 2.495 . 0 0 "[ . 1 . 2]" 1
1913 2 42 ILE MD 2 43 SER H 4.150 . 6.500 4.691 4.563 5.080 . 0 0 "[ . 1 . 2]" 1
1914 2 43 SER H 2 43 SER HA 2.650 . 3.500 2.995 2.971 3.001 . 0 0 "[ . 1 . 2]" 1
1915 2 43 SER H 2 43 SER QB 2.800 . 3.800 2.553 2.357 2.804 . 0 0 "[ . 1 . 2]" 1
1916 2 43 SER H 2 44 ILE H 3.400 . 5.000 4.513 4.475 4.579 . 0 0 "[ . 1 . 2]" 1
1917 2 43 SER HA 2 44 ILE H 2.300 . 2.800 2.414 2.249 2.481 . 0 0 "[ . 1 . 2]" 1
1918 2 43 SER HA 2 44 ILE HA 3.650 . 5.500 4.545 4.469 4.576 . 0 0 "[ . 1 . 2]" 1
1919 2 43 SER HA 2 44 ILE HB 3.400 . 5.000 4.432 4.318 4.882 . 0 0 "[ . 1 . 2]" 1
1920 2 43 SER HA 2 44 ILE HG12 3.400 . 5.000 4.614 3.191 4.946 . 0 0 "[ . 1 . 2]" 1
1921 2 43 SER HA 2 44 ILE HG13 3.400 . 5.000 3.664 3.245 5.053 0.053 20 0 "[ . 1 . 2]" 1
1922 2 43 SER HA 2 44 ILE MG 4.150 . 6.500 5.411 5.365 5.443 . 0 0 "[ . 1 . 2]" 1
1923 2 43 SER H 2 44 ILE HG12 3.400 . 5.000 5.014 4.622 5.054 0.054 4 0 "[ . 1 . 2]" 1
1924 2 43 SER QB 2 44 ILE H 3.900 . 6.000 2.479 2.306 2.910 . 0 0 "[ . 1 . 2]" 1
1925 2 43 SER HB2 2 44 ILE HA 3.400 . 5.000 4.640 4.305 4.988 . 0 0 "[ . 1 . 2]" 1
1926 2 43 SER HB3 2 44 ILE HA 3.400 . 5.000 4.453 4.199 4.774 . 0 0 "[ . 1 . 2]" 1
1927 2 44 ILE H 2 44 ILE HA 2.650 . 3.500 2.966 2.953 2.997 . 0 0 "[ . 1 . 2]" 1
1928 2 44 ILE H 2 44 ILE HB 2.300 . 2.800 2.793 2.732 2.867 0.067 20 0 "[ . 1 . 2]" 1
1929 2 44 ILE H 2 44 ILE MD 4.150 . 6.500 4.209 3.302 4.433 . 0 0 "[ . 1 . 2]" 1
1930 2 44 ILE HA 2 44 ILE HB 2.650 . 3.500 3.025 3.004 3.034 . 0 0 "[ . 1 . 2]" 1
1931 2 44 ILE HA 2 46 GLU QG 3.900 . 6.000 4.609 4.257 5.158 . 0 0 "[ . 1 . 2]" 1
1932 2 44 ILE HB 2 46 GLU QG 3.900 . 6.000 4.187 3.569 4.767 . 0 0 "[ . 1 . 2]" 1
1933 2 44 ILE MG 2 46 GLU HA 4.150 . 6.500 4.318 4.142 4.690 . 0 0 "[ . 1 . 2]" 1
1934 2 44 ILE MG 2 46 GLU QB 4.650 . 7.500 4.012 3.790 4.407 . 0 0 "[ . 1 . 2]" 1
1935 2 44 ILE MG 2 46 GLU QG 3.900 . 6.000 2.159 1.909 2.501 . 0 0 "[ . 1 . 2]" 1
1936 2 45 LEU H 2 45 LEU HA 2.300 . 2.800 2.918 2.892 2.938 0.138 19 0 "[ . 1 . 2]" 1
1937 2 45 LEU H 2 45 LEU HB2 2.650 . 3.500 2.799 2.493 3.379 . 0 0 "[ . 1 . 2]" 1
1938 2 45 LEU H 2 45 LEU HB3 2.650 . 3.500 2.758 2.568 3.183 . 0 0 "[ . 1 . 2]" 1
1939 2 45 LEU H 2 45 LEU HG 3.400 . 5.000 4.478 4.404 4.627 . 0 0 "[ . 1 . 2]" 1
1940 2 45 LEU H 2 45 LEU QD 4.850 . 7.900 3.834 3.726 4.065 . 0 0 "[ . 1 . 2]" 1
1941 2 45 LEU HA 2 45 LEU HB2 2.650 . 3.500 2.537 2.495 2.589 . 0 0 "[ . 1 . 2]" 1
1942 2 45 LEU HA 2 45 LEU HB3 2.650 . 3.500 3.019 3.008 3.026 . 0 0 "[ . 1 . 2]" 1
1943 2 45 LEU HA 2 45 LEU HG 2.650 . 3.500 2.251 2.135 2.410 . 0 0 "[ . 1 . 2]" 1
1944 2 45 LEU HA 2 46 GLU H 2.300 . 2.800 2.192 2.159 2.225 . 0 0 "[ . 1 . 2]" 1
1945 2 45 LEU HA 2 46 GLU HA 3.400 . 5.000 4.470 4.455 4.492 . 0 0 "[ . 1 . 2]" 1
1946 2 45 LEU HA 2 46 GLU QB 4.150 . 6.500 4.602 4.569 4.647 . 0 0 "[ . 1 . 2]" 1
1947 2 45 LEU HB2 2 46 GLU H 3.400 . 5.000 4.531 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
1948 2 45 LEU HB3 2 46 GLU H 3.400 . 5.000 4.335 4.289 4.416 . 0 0 "[ . 1 . 2]" 1
1949 2 45 LEU HG 2 46 GLU H 3.400 . 5.000 3.214 2.995 3.425 . 0 0 "[ . 1 . 2]" 1
1950 2 45 LEU QD 2 46 GLU H 4.850 . 7.900 3.576 3.251 3.951 . 0 0 "[ . 1 . 2]" 1
1951 2 46 GLU H 2 46 GLU HA 2.650 . 3.500 2.979 2.967 2.990 . 0 0 "[ . 1 . 2]" 1
1952 2 46 GLU H 2 46 GLU QG 3.900 . 6.000 2.391 2.149 2.861 . 0 0 "[ . 1 . 2]" 1
1953 2 46 GLU HA 2 47 LEU H 2.300 . 2.800 2.265 2.210 2.355 . 0 0 "[ . 1 . 2]" 1
1954 2 46 GLU QB 2 47 LEU H 3.900 . 6.000 3.163 2.742 3.699 . 0 0 "[ . 1 . 2]" 1
1955 2 46 GLU QG 2 47 LEU H 3.900 . 6.000 4.339 4.198 4.504 . 0 0 "[ . 1 . 2]" 1
1956 2 46 GLU HA 2 47 LEU HA 3.400 . 5.000 4.485 4.453 4.541 . 0 0 "[ . 1 . 2]" 1
1957 2 46 GLU HA 2 47 LEU QB 3.900 . 6.000 4.532 4.404 4.726 . 0 0 "[ . 1 . 2]" 1
1958 2 47 LEU HA 2 47 LEU HB2 2.300 . 2.800 2.521 2.440 2.537 . 0 0 "[ . 1 . 2]" 1
1959 2 47 LEU HA 2 47 LEU HB3 2.300 . 2.800 2.411 2.400 2.472 . 0 0 "[ . 1 . 2]" 1
1960 2 47 LEU H 2 47 LEU HB3 2.650 . 3.500 3.254 2.851 3.492 . 0 0 "[ . 1 . 2]" 1
1961 2 47 LEU H 2 47 LEU HA 2.650 . 3.500 2.977 2.950 2.992 . 0 0 "[ . 1 . 2]" 1
1962 2 47 LEU H 2 47 LEU HG 2.650 . 3.500 2.386 2.222 2.564 . 0 0 "[ . 1 . 2]" 1
1963 2 47 LEU H 2 48 ASN H 3.400 . 5.000 4.340 4.179 4.521 . 0 0 "[ . 1 . 2]" 1
1964 2 47 LEU HA 2 48 ASN H 2.300 . 2.800 2.181 2.156 2.197 . 0 0 "[ . 1 . 2]" 1
1965 2 47 LEU HA 2 48 ASN HA 3.400 . 5.000 4.435 4.429 4.446 . 0 0 "[ . 1 . 2]" 1
1966 2 47 LEU HA 2 48 ASN QB 3.900 . 6.000 4.533 4.452 4.575 . 0 0 "[ . 1 . 2]" 1
1967 2 47 LEU HG 2 49 VAL H 3.650 . 5.500 5.559 5.542 5.574 0.074 7 0 "[ . 1 . 2]" 1
1968 2 48 ASN H 2 48 ASN HA 2.650 . 3.500 2.947 2.943 2.953 . 0 0 "[ . 1 . 2]" 1
1969 2 48 ASN H 2 48 ASN HB2 2.650 . 3.500 2.592 2.501 2.636 . 0 0 "[ . 1 . 2]" 1
1970 2 48 ASN H 2 48 ASN HB3 2.650 . 3.500 3.636 3.624 3.643 0.143 6 0 "[ . 1 . 2]" 1
1971 2 48 ASN HA 2 48 ASN HB2 2.650 . 3.500 3.022 3.017 3.025 . 0 0 "[ . 1 . 2]" 1
1972 2 48 ASN HA 2 48 ASN HB3 2.300 . 2.800 2.397 2.379 2.431 . 0 0 "[ . 1 . 2]" 1
1973 2 48 ASN H 2 49 VAL H 3.400 . 5.000 4.583 4.569 4.593 . 0 0 "[ . 1 . 2]" 1
1974 2 48 ASN HA 2 49 VAL H 2.300 . 2.800 2.258 2.242 2.275 . 0 0 "[ . 1 . 2]" 1
1975 2 48 ASN HB2 2 49 VAL H 3.400 . 5.000 3.892 3.832 3.977 . 0 0 "[ . 1 . 2]" 1
1976 2 48 ASN HB3 2 49 VAL H 3.400 . 5.000 3.071 3.035 3.119 . 0 0 "[ . 1 . 2]" 1
1977 2 48 ASN HA 2 49 VAL QG 3.750 . 5.700 3.312 3.227 3.458 . 0 0 "[ . 1 . 2]" 1
1978 2 48 ASN HB2 2 49 VAL QG 4.100 . 6.400 4.642 4.581 4.680 . 0 0 "[ . 1 . 2]" 1
1979 2 48 ASN HB3 2 49 VAL QG 4.100 . 6.400 4.619 4.585 4.658 . 0 0 "[ . 1 . 2]" 1
1980 2 49 VAL H 2 49 VAL HA 2.650 . 3.500 2.992 2.989 2.994 . 0 0 "[ . 1 . 2]" 1
1981 2 49 VAL H 2 49 VAL HB 2.650 . 3.500 2.764 2.717 2.801 . 0 0 "[ . 1 . 2]" 1
1982 2 49 VAL H 2 50 THR H 3.400 . 5.000 3.867 3.712 4.067 . 0 0 "[ . 1 . 2]" 1
1983 2 49 VAL HA 2 50 THR H 2.300 . 2.800 2.274 2.201 2.328 . 0 0 "[ . 1 . 2]" 1
1984 2 49 VAL HB 2 50 THR H 3.400 . 5.000 4.411 4.329 4.439 . 0 0 "[ . 1 . 2]" 1
1985 2 49 VAL QG 2 50 THR H 4.850 . 7.900 3.286 3.131 3.403 . 0 0 "[ . 1 . 2]" 1
1986 2 50 THR H 2 50 THR HB 2.300 . 2.800 2.543 2.432 2.573 . 0 0 "[ . 1 . 2]" 1
1987 2 50 THR H 2 50 THR HA 2.650 . 3.500 2.928 2.901 2.963 . 0 0 "[ . 1 . 2]" 1
1988 2 50 THR H 2 51 LEU H 3.650 . 5.500 4.249 4.089 4.336 . 0 0 "[ . 1 . 2]" 1
1989 2 50 THR HB 2 51 LEU H 3.400 . 5.000 4.428 4.379 4.472 . 0 0 "[ . 1 . 2]" 1
1990 2 50 THR HA 2 51 LEU H 2.300 . 2.800 2.255 2.204 2.317 . 0 0 "[ . 1 . 2]" 1
1991 2 50 THR MG 2 51 LEU H 4.150 . 6.500 3.290 3.040 3.519 . 0 0 "[ . 1 . 2]" 1
1992 2 50 THR MG 2 51 LEU HA 4.150 . 6.500 4.226 4.111 4.446 . 0 0 "[ . 1 . 2]" 1
1993 2 50 THR MG 2 52 PRO QG 4.650 . 7.500 5.333 5.081 5.431 . 0 0 "[ . 1 . 2]" 1
1994 2 51 LEU H 2 51 LEU HA 2.650 . 3.500 2.938 2.903 2.954 . 0 0 "[ . 1 . 2]" 1
1995 2 51 LEU HA 2 51 LEU HB2 2.650 . 3.500 3.032 3.023 3.037 . 0 0 "[ . 1 . 2]" 1
1996 2 51 LEU HA 2 51 LEU HB3 2.300 . 2.800 2.497 2.420 2.609 . 0 0 "[ . 1 . 2]" 1
1997 2 51 LEU H 2 51 LEU HB2 2.300 . 2.800 2.423 2.279 2.561 . 0 0 "[ . 1 . 2]" 1
1998 2 51 LEU H 2 51 LEU HB3 2.650 . 3.500 3.608 3.568 3.635 0.135 5 0 "[ . 1 . 2]" 1
1999 2 51 LEU H 2 52 PRO QD 3.900 . 6.000 4.392 4.366 4.401 . 0 0 "[ . 1 . 2]" 1
2000 2 51 LEU HA 2 52 PRO QG 3.900 . 6.000 3.896 3.880 3.914 . 0 0 "[ . 1 . 2]" 1
2001 2 51 LEU HA 2 52 PRO QB 3.900 . 6.000 4.595 4.590 4.607 . 0 0 "[ . 1 . 2]" 1
2002 2 51 LEU HA 2 52 PRO HD2 2.300 . 2.800 2.619 2.548 2.663 . 0 0 "[ . 1 . 2]" 1
2003 2 51 LEU HA 2 52 PRO HD3 2.300 . 2.800 1.984 1.963 2.023 . 0 0 "[ . 1 . 2]" 1
2004 2 51 LEU HB2 2 52 PRO HD2 3.400 . 5.000 4.254 4.093 4.421 . 0 0 "[ . 1 . 2]" 1
2005 2 51 LEU HB2 2 52 PRO HD3 3.400 . 5.000 4.649 4.576 4.777 . 0 0 "[ . 1 . 2]" 1
2006 2 51 LEU HB3 2 52 PRO HD2 3.400 . 5.000 2.816 2.730 2.970 . 0 0 "[ . 1 . 2]" 1
2007 2 51 LEU HB3 2 52 PRO HD3 3.400 . 5.000 3.659 3.581 3.858 . 0 0 "[ . 1 . 2]" 1
2008 2 51 LEU HG 2 52 PRO HD2 3.650 . 5.500 4.791 4.354 5.198 . 0 0 "[ . 1 . 2]" 1
2009 2 51 LEU QD 2 52 PRO HD2 4.100 . 6.400 2.932 2.283 3.312 . 0 0 "[ . 1 . 2]" 1
2010 2 51 LEU QD 2 52 PRO HD3 4.100 . 6.400 3.278 2.787 3.509 . 0 0 "[ . 1 . 2]" 1
2011 2 52 PRO HA 2 53 GLU H 2.300 . 2.800 2.609 2.495 2.704 . 0 0 "[ . 1 . 2]" 1
2012 2 53 GLU H 2 53 GLU HA 2.300 . 2.800 2.840 2.815 2.858 0.058 6 0 "[ . 1 . 2]" 1
2013 2 53 GLU H 2 53 GLU QG 3.900 . 6.000 2.980 2.027 3.186 . 0 0 "[ . 1 . 2]" 1
2014 2 53 GLU H 2 54 ALA MB 4.150 . 6.500 5.066 4.775 5.279 . 0 0 "[ . 1 . 2]" 1
2015 2 53 GLU HA 2 54 ALA H 2.300 . 2.800 2.626 2.283 2.752 . 0 0 "[ . 1 . 2]" 1
2016 2 53 GLU HA 2 54 ALA MB 3.400 . 5.000 3.783 3.724 3.872 . 0 0 "[ . 1 . 2]" 1
2017 2 53 GLU HB2 2 54 ALA HA 3.400 . 5.000 4.966 3.973 5.044 0.044 20 0 "[ . 1 . 2]" 1
2018 2 53 GLU HB3 2 54 ALA HA 3.400 . 5.000 3.898 3.821 4.542 . 0 0 "[ . 1 . 2]" 1
2019 2 53 GLU QG 2 54 ALA HA 3.900 . 6.000 5.338 5.302 5.567 . 0 0 "[ . 1 . 2]" 1
2020 2 53 GLU QB 2 54 ALA MB 4.650 . 7.500 4.125 4.027 4.196 . 0 0 "[ . 1 . 2]" 1
2021 2 53 GLU QG 2 54 ALA MB 4.650 . 7.500 4.809 4.598 5.271 . 0 0 "[ . 1 . 2]" 1
2022 2 53 GLU QB 2 54 ALA H 3.150 . 4.500 2.186 1.976 2.879 . 0 0 "[ . 1 . 2]" 1
2023 2 53 GLU QG 2 54 ALA H 3.900 . 6.000 3.020 2.831 4.047 . 0 0 "[ . 1 . 2]" 1
2024 2 54 ALA H 2 54 ALA HA 2.300 . 2.800 2.846 2.830 2.897 0.097 8 0 "[ . 1 . 2]" 1
2025 2 54 ALA HA 2 55 GLU H 2.300 . 2.800 2.386 2.193 2.832 0.032 10 0 "[ . 1 . 2]" 1
2026 2 54 ALA MB 2 55 GLU H 3.400 . 5.000 2.917 1.996 3.685 . 0 0 "[ . 1 . 2]" 1
2027 2 54 ALA MB 2 55 GLU HA 4.150 . 6.500 4.043 3.752 4.504 . 0 0 "[ . 1 . 2]" 1
2028 2 54 ALA MB 2 56 GLU H 4.150 . 6.500 4.377 2.681 5.390 . 0 0 "[ . 1 . 2]" 1
2029 2 54 ALA MB 2 57 LEU H 4.150 . 6.500 4.869 3.568 5.402 . 0 0 "[ . 1 . 2]" 1
2030 2 55 GLU H 2 55 GLU HA 2.300 . 2.800 2.857 2.841 2.925 0.125 16 0 "[ . 1 . 2]" 1
2031 2 55 GLU H 2 55 GLU QG 3.900 . 6.000 3.492 2.061 4.356 . 0 0 "[ . 1 . 2]" 1
2032 2 55 GLU HA 2 57 LEU QD 4.850 . 7.900 4.936 3.042 5.902 . 0 0 "[ . 1 . 2]" 1
2033 2 56 GLU H 2 56 GLU HA 2.300 . 2.800 2.582 2.343 2.920 0.120 12 0 "[ . 1 . 2]" 1
2034 2 56 GLU H 2 56 GLU QG 3.900 . 6.000 3.839 2.303 4.436 . 0 0 "[ . 1 . 2]" 1
2035 2 56 GLU H 2 57 LEU H 2.650 . 3.500 2.740 1.983 3.528 0.028 9 0 "[ . 1 . 2]" 1
2036 2 56 GLU QB 2 57 LEU H 3.150 . 4.500 3.866 2.934 4.054 . 0 0 "[ . 1 . 2]" 1
2037 2 56 GLU QG 2 57 LEU H 3.900 . 6.000 4.223 3.630 4.675 . 0 0 "[ . 1 . 2]" 1
2038 2 56 GLU QB 2 57 LEU HA 3.900 . 6.000 4.409 4.108 4.605 . 0 0 "[ . 1 . 2]" 1
2039 2 56 GLU QG 2 57 LEU HA 3.900 . 6.000 4.580 3.916 5.297 . 0 0 "[ . 1 . 2]" 1
2040 2 57 LEU H 2 57 LEU QD 4.850 . 7.900 3.243 2.114 4.003 . 0 0 "[ . 1 . 2]" 1
2041 2 57 LEU HA 2 58 LYS H 2.300 . 2.800 2.306 2.182 2.803 0.003 12 0 "[ . 1 . 2]" 1
2042 2 57 LEU QD 2 58 LYS H 4.850 . 7.900 3.214 1.961 4.440 . 0 0 "[ . 1 . 2]" 1
2043 2 57 LEU QD 2 58 LYS HA 4.850 . 7.900 4.398 3.111 5.365 . 0 0 "[ . 1 . 2]" 1
2044 2 57 LEU H 2 58 LYS H 3.400 . 5.000 4.299 2.797 4.629 . 0 0 "[ . 1 . 2]" 1
2045 2 58 LYS H 2 58 LYS QG 3.900 . 6.000 3.191 2.025 4.216 . 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 361
_Distance_constraint_stats_list.Viol_count 288
_Distance_constraint_stats_list.Viol_total 242.092
_Distance_constraint_stats_list.Viol_max 0.135
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0420
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 3.720 0.133 18 0 "[ . 1 . 2]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.192 0.036 8 0 "[ . 1 . 2]"
1 16 ILE 1.533 0.112 12 0 "[ . 1 . 2]"
1 19 VAL 0.069 0.036 9 0 "[ . 1 . 2]"
1 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 2.365 0.135 18 0 "[ . 1 . 2]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.077 0.015 2 0 "[ . 1 . 2]"
1 42 ILE 0.325 0.045 10 0 "[ . 1 . 2]"
1 43 SER 0.063 0.033 3 0 "[ . 1 . 2]"
1 44 ILE 0.025 0.021 20 0 "[ . 1 . 2]"
1 45 LEU 0.910 0.067 6 0 "[ . 1 . 2]"
1 46 GLU 0.703 0.112 13 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASN 1.038 0.112 13 0 "[ . 1 . 2]"
1 49 VAL 0.401 0.047 18 0 "[ . 1 . 2]"
1 50 THR 0.103 0.033 3 0 "[ . 1 . 2]"
1 51 LEU 0.165 0.038 5 0 "[ . 1 . 2]"
1 52 PRO 0.345 0.049 10 0 "[ . 1 . 2]"
1 53 GLU 0.072 0.015 2 0 "[ . 1 . 2]"
2 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 3.723 0.135 18 0 "[ . 1 . 2]"
2 13 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 ASP 0.192 0.038 8 0 "[ . 1 . 2]"
2 16 ILE 1.533 0.110 12 0 "[ . 1 . 2]"
2 19 VAL 0.070 0.036 9 0 "[ . 1 . 2]"
2 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TYR 2.362 0.133 18 0 "[ . 1 . 2]"
2 24 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 ASP 0.072 0.015 2 0 "[ . 1 . 2]"
2 42 ILE 0.345 0.049 10 0 "[ . 1 . 2]"
2 43 SER 0.067 0.033 3 0 "[ . 1 . 2]"
2 44 ILE 0.036 0.024 20 0 "[ . 1 . 2]"
2 45 LEU 0.904 0.066 6 0 "[ . 1 . 2]"
2 46 GLU 0.700 0.112 13 0 "[ . 1 . 2]"
2 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 ASN 1.046 0.112 13 0 "[ . 1 . 2]"
2 49 VAL 0.398 0.052 18 0 "[ . 1 . 2]"
2 50 THR 0.088 0.033 3 0 "[ . 1 . 2]"
2 51 LEU 0.169 0.039 5 0 "[ . 1 . 2]"
2 52 PRO 0.325 0.045 10 0 "[ . 1 . 2]"
2 53 GLU 0.077 0.015 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 ILE HA 2 8 TYR QB 4.150 . 6.500 4.804 4.552 5.030 . 0 0 "[ . 1 . 2]" 2
2 1 23 TYR CZ 2 8 TYR HA 3.900 . 6.000 5.646 5.315 5.794 . 0 0 "[ . 1 . 2]" 2
3 1 23 TYR CG 2 8 TYR HA 3.650 . 5.500 4.688 4.561 4.817 . 0 0 "[ . 1 . 2]" 2
4 1 23 TYR CZ 2 8 TYR HB2 4.400 . 7.000 5.494 5.187 5.669 . 0 0 "[ . 1 . 2]" 2
5 1 23 TYR CG 2 8 TYR HB2 4.400 . 7.000 3.360 3.143 3.477 . 0 0 "[ . 1 . 2]" 2
6 1 23 TYR CZ 2 8 TYR HB3 4.400 . 7.000 5.922 5.461 6.146 . 0 0 "[ . 1 . 2]" 2
7 1 23 TYR CG 2 8 TYR HB3 4.400 . 7.000 4.100 3.766 4.284 . 0 0 "[ . 1 . 2]" 2
8 1 23 TYR HA 2 8 TYR CG 4.400 . 7.000 5.676 5.512 5.806 . 0 0 "[ . 1 . 2]" 2
9 1 23 TYR HB2 2 8 TYR CG 4.400 . 7.000 4.387 4.228 4.561 . 0 0 "[ . 1 . 2]" 2
10 1 23 TYR HB3 2 8 TYR CG 4.400 . 7.000 3.476 3.255 3.598 . 0 0 "[ . 1 . 2]" 2
11 1 23 TYR CG 2 8 TYR CG 5.400 . 9.000 5.321 5.035 5.479 . 0 0 "[ . 1 . 2]" 2
12 1 23 TYR CG 2 8 TYR CZ 5.400 . 9.000 7.749 7.452 7.926 . 0 0 "[ . 1 . 2]" 2
13 1 23 TYR CZ 2 8 TYR CG 5.400 . 9.000 7.532 7.168 7.727 . 0 0 "[ . 1 . 2]" 2
14 1 24 VAL HA 2 8 TYR CG 4.400 . 7.000 6.013 5.867 6.397 . 0 0 "[ . 1 . 2]" 2
15 1 24 VAL HB 2 8 TYR CG 4.400 . 7.000 5.993 5.820 6.251 . 0 0 "[ . 1 . 2]" 2
16 1 24 VAL HB 2 8 TYR CZ 4.400 . 7.000 5.839 5.672 6.031 . 0 0 "[ . 1 . 2]" 2
17 1 24 VAL QG 2 8 TYR CG 5.100 . 8.400 2.975 2.849 3.220 . 0 0 "[ . 1 . 2]" 2
18 1 24 VAL QG 2 8 TYR CZ 5.100 . 8.400 2.999 2.894 3.131 . 0 0 "[ . 1 . 2]" 2
19 1 20 ILE HA 2 9 LEU MD1 4.400 . 7.000 5.170 5.073 5.283 . 0 0 "[ . 1 . 2]" 2
20 1 20 ILE HA 2 9 LEU MD2 4.400 . 7.000 4.829 4.724 4.913 . 0 0 "[ . 1 . 2]" 2
21 1 20 ILE HB 2 9 LEU MD1 4.400 . 7.000 5.696 5.664 5.731 . 0 0 "[ . 1 . 2]" 2
22 1 20 ILE HB 2 9 LEU MD2 4.400 . 7.000 5.677 5.593 5.727 . 0 0 "[ . 1 . 2]" 2
23 1 20 ILE MD 2 9 LEU HA 4.150 . 6.500 5.316 5.150 5.396 . 0 0 "[ . 1 . 2]" 2
24 1 20 ILE MD 2 9 LEU QD 4.850 . 7.900 3.645 3.479 3.728 . 0 0 "[ . 1 . 2]" 2
25 1 20 ILE QG 2 9 LEU QD 5.350 . 8.900 3.156 3.099 3.205 . 0 0 "[ . 1 . 2]" 2
26 1 20 ILE MG 2 9 LEU QD 4.850 . 7.900 2.843 2.783 2.905 . 0 0 "[ . 1 . 2]" 2
27 1 19 VAL QG 2 11 GLN QE 5.350 . 8.900 4.740 4.476 5.670 . 0 0 "[ . 1 . 2]" 2
28 1 23 TYR CZ 2 11 GLN HA 4.650 . 7.500 6.691 6.541 6.826 . 0 0 "[ . 1 . 2]" 2
29 1 23 TYR CG 2 11 GLN HB2 4.400 . 7.000 6.032 5.929 6.163 . 0 0 "[ . 1 . 2]" 2
30 1 23 TYR CG 2 11 GLN HB3 4.400 . 7.000 4.675 4.570 4.820 . 0 0 "[ . 1 . 2]" 2
31 1 23 TYR CZ 2 11 GLN HB2 4.400 . 7.000 5.651 5.404 5.807 . 0 0 "[ . 1 . 2]" 2
32 1 23 TYR CZ 2 11 GLN HB3 4.400 . 7.000 4.737 4.642 4.872 . 0 0 "[ . 1 . 2]" 2
33 1 23 TYR CG 2 11 GLN QG 5.150 . 8.500 4.268 4.081 4.326 . 0 0 "[ . 1 . 2]" 2
34 1 23 TYR CZ 2 11 GLN QG 4.150 . 6.500 3.126 2.838 3.266 . 0 0 "[ . 1 . 2]" 2
35 1 23 TYR HB2 2 11 GLN QG 3.900 . 6.000 5.427 5.273 5.450 . 0 0 "[ . 1 . 2]" 2
36 1 23 TYR HB3 2 11 GLN QG 3.900 . 6.000 5.276 5.194 5.319 . 0 0 "[ . 1 . 2]" 2
37 1 16 ILE MD 2 12 LEU HA 4.150 . 6.500 4.229 2.763 4.901 . 0 0 "[ . 1 . 2]" 2
38 1 16 ILE QG 2 12 LEU HA 3.900 . 6.000 4.079 3.855 4.531 . 0 0 "[ . 1 . 2]" 2
39 1 16 ILE HA 2 12 LEU HB2 3.650 . 5.500 5.574 5.546 5.612 0.112 12 0 "[ . 1 . 2]" 2
40 1 16 ILE HA 2 12 LEU HB3 3.650 . 5.500 3.870 3.836 3.910 . 0 0 "[ . 1 . 2]" 2
41 1 16 ILE MD 2 12 LEU HB2 4.150 . 6.500 3.817 3.271 4.136 . 0 0 "[ . 1 . 2]" 2
42 1 16 ILE MD 2 12 LEU HB3 4.150 . 6.500 3.111 1.943 3.635 . 0 0 "[ . 1 . 2]" 2
43 1 16 ILE MD 2 12 LEU HG 4.150 . 6.500 4.876 3.653 5.410 . 0 0 "[ . 1 . 2]" 2
44 1 16 ILE MD 2 12 LEU MD1 4.900 . 8.000 4.965 3.801 5.489 . 0 0 "[ . 1 . 2]" 2
45 1 16 ILE MD 2 12 LEU MD2 4.900 . 8.000 4.717 4.235 4.949 . 0 0 "[ . 1 . 2]" 2
46 1 19 VAL HB 2 12 LEU MD1 4.150 . 6.500 3.899 3.685 3.989 . 0 0 "[ . 1 . 2]" 2
47 1 19 VAL HB 2 12 LEU MD2 4.150 . 6.500 4.663 4.597 4.768 . 0 0 "[ . 1 . 2]" 2
48 1 19 VAL MG1 2 12 LEU QD 4.850 . 7.900 1.826 1.767 1.842 0.033 9 0 "[ . 1 . 2]" 2
49 1 19 VAL MG2 2 12 LEU QD 4.850 . 7.900 4.007 3.933 4.044 . 0 0 "[ . 1 . 2]" 2
50 1 20 ILE QG 2 12 LEU HA 3.900 . 6.000 4.340 4.267 4.434 . 0 0 "[ . 1 . 2]" 2
51 1 20 ILE HA 2 12 LEU QD 4.100 . 6.400 1.911 1.901 1.930 . 0 0 "[ . 1 . 2]" 2
52 1 20 ILE HB 2 12 LEU QD 4.850 . 7.900 3.754 3.703 3.807 . 0 0 "[ . 1 . 2]" 2
53 1 20 ILE QG 2 12 LEU QD 4.600 . 7.400 1.939 1.920 1.996 . 0 0 "[ . 1 . 2]" 2
54 1 20 ILE MG 2 12 LEU MD1 4.150 . 6.500 4.321 4.243 4.385 . 0 0 "[ . 1 . 2]" 2
55 1 20 ILE MG 2 12 LEU MD2 4.150 . 6.500 2.039 1.979 2.150 . 0 0 "[ . 1 . 2]" 2
56 1 22 LYS QD 2 12 LEU QD 5.350 . 8.900 4.406 4.291 4.511 . 0 0 "[ . 1 . 2]" 2
57 1 23 TYR CG 2 12 LEU H 4.400 . 7.000 5.925 5.871 5.966 . 0 0 "[ . 1 . 2]" 2
58 1 23 TYR CZ 2 12 LEU H 4.400 . 7.000 6.319 6.171 6.373 . 0 0 "[ . 1 . 2]" 2
59 1 23 TYR CG 2 12 LEU HA 4.400 . 7.000 5.935 5.876 6.061 . 0 0 "[ . 1 . 2]" 2
60 1 23 TYR CZ 2 12 LEU HA 3.650 . 5.500 5.609 5.571 5.635 0.135 18 0 "[ . 1 . 2]" 2
61 1 23 TYR CZ 2 12 LEU QB 5.150 . 8.500 6.491 6.409 6.541 . 0 0 "[ . 1 . 2]" 2
62 1 23 TYR HB2 2 12 LEU MD1 3.400 . 5.000 2.466 2.352 2.698 . 0 0 "[ . 1 . 2]" 2
63 1 23 TYR HB3 2 12 LEU MD2 3.400 . 5.000 3.357 3.286 3.433 . 0 0 "[ . 1 . 2]" 2
64 1 23 TYR CG 2 12 LEU MD1 5.150 . 8.500 2.444 2.430 2.509 . 0 0 "[ . 1 . 2]" 2
65 1 23 TYR CG 2 12 LEU MD2 5.150 . 8.500 3.742 3.627 3.830 . 0 0 "[ . 1 . 2]" 2
66 1 23 TYR CZ 2 12 LEU QD 5.100 . 8.400 3.222 3.105 3.290 . 0 0 "[ . 1 . 2]" 2
67 1 24 VAL QG 2 12 LEU QD 5.550 . 9.300 2.637 2.567 2.849 . 0 0 "[ . 1 . 2]" 2
68 1 16 ILE MD 2 13 ARG HA 3.400 . 5.000 2.282 2.124 2.442 . 0 0 "[ . 1 . 2]" 2
69 1 16 ILE MD 2 14 LYS H 4.150 . 6.500 4.963 4.406 5.234 . 0 0 "[ . 1 . 2]" 2
70 1 16 ILE QG 2 15 ASP H 3.900 . 6.000 5.199 5.051 5.501 . 0 0 "[ . 1 . 2]" 2
71 1 19 VAL MG1 2 15 ASP HA 4.150 . 6.500 4.763 4.660 4.873 . 0 0 "[ . 1 . 2]" 2
72 1 19 VAL MG2 2 15 ASP HA 4.150 . 6.500 5.137 4.964 5.275 . 0 0 "[ . 1 . 2]" 2
73 1 19 VAL HA 2 15 ASP QB 4.150 . 6.500 5.270 5.166 5.396 . 0 0 "[ . 1 . 2]" 2
74 1 19 VAL HB 2 15 ASP HB2 3.400 . 5.000 4.196 4.061 4.378 . 0 0 "[ . 1 . 2]" 2
75 1 19 VAL HB 2 15 ASP HB3 3.400 . 5.000 4.762 4.523 4.935 . 0 0 "[ . 1 . 2]" 2
76 1 19 VAL MG1 2 15 ASP HB2 3.400 . 5.000 2.420 2.328 2.592 . 0 0 "[ . 1 . 2]" 2
77 1 19 VAL MG1 2 15 ASP HB3 3.400 . 5.000 2.920 2.691 3.059 . 0 0 "[ . 1 . 2]" 2
78 1 19 VAL MG2 2 15 ASP HB2 3.400 . 5.000 3.391 3.203 3.556 . 0 0 "[ . 1 . 2]" 2
79 1 19 VAL MG2 2 15 ASP HB3 3.400 . 5.000 2.986 2.821 3.096 . 0 0 "[ . 1 . 2]" 2
80 1 23 TYR CZ 2 15 ASP HB2 4.400 . 7.000 6.823 6.696 6.979 . 0 0 "[ . 1 . 2]" 2
81 1 23 TYR CZ 2 15 ASP HB3 4.400 . 7.000 6.990 6.916 7.038 0.038 8 0 "[ . 1 . 2]" 2
82 1 16 ILE HA 2 16 ILE H 3.400 . 5.000 4.706 4.613 4.783 . 0 0 "[ . 1 . 2]" 2
83 1 16 ILE QG 2 16 ILE H 3.900 . 6.000 3.771 3.595 4.124 . 0 0 "[ . 1 . 2]" 2
84 1 16 ILE MG 2 16 ILE H 4.150 . 6.500 5.455 5.419 5.481 . 0 0 "[ . 1 . 2]" 2
85 1 16 ILE MD 2 16 ILE H 4.150 . 6.500 3.010 2.114 3.598 . 0 0 "[ . 1 . 2]" 2
86 1 16 ILE HA 2 16 ILE HA 3.400 . 5.000 4.818 4.678 5.019 0.019 14 0 "[ . 1 . 2]" 2
87 1 16 ILE MG 2 16 ILE HA 4.150 . 6.500 5.133 4.979 5.410 . 0 0 "[ . 1 . 2]" 2
88 1 16 ILE MD 2 16 ILE HA 4.150 . 6.500 3.972 3.248 4.329 . 0 0 "[ . 1 . 2]" 2
89 1 16 ILE MG 2 16 ILE MD 3.800 . 5.800 2.200 1.895 2.868 . 0 0 "[ . 1 . 2]" 2
90 1 16 ILE MD 2 16 ILE MD 3.800 . 5.800 2.066 1.828 2.486 . 0 0 "[ . 1 . 2]" 2
91 1 19 VAL QG 2 16 ILE MD 5.600 . 9.400 4.504 3.408 5.098 . 0 0 "[ . 1 . 2]" 2
92 1 12 LEU HA 2 19 VAL QG 4.850 . 6.400 1.940 1.921 2.001 . 0 0 "[ . 1 . 2]" 2
93 1 12 LEU QD 2 19 VAL QG 5.550 . 9.300 1.823 1.764 1.841 0.036 9 0 "[ . 1 . 2]" 2
94 1 15 ASP HA 2 19 VAL QG 4.850 . 7.900 4.387 4.300 4.477 . 0 0 "[ . 1 . 2]" 2
95 1 16 ILE HA 2 19 VAL QG 4.850 . 7.900 4.336 4.221 4.477 . 0 0 "[ . 1 . 2]" 2
96 1 19 VAL QG 2 19 VAL QG 6.300 . 10.800 3.091 3.020 3.172 . 0 0 "[ . 1 . 2]" 2
97 1 42 ILE MG 2 30 MET ME 4.150 . 6.500 3.226 3.089 3.494 . 0 0 "[ . 1 . 2]" 2
98 1 42 ILE MD 2 30 MET ME 4.150 . 6.500 4.212 3.918 4.297 . 0 0 "[ . 1 . 2]" 2
99 1 45 LEU QD 2 31 VAL QG 5.550 . 9.300 4.819 4.740 4.875 . 0 0 "[ . 1 . 2]" 2
100 1 48 ASN HA 2 34 GLN QG 3.900 . 6.000 5.394 5.348 5.495 . 0 0 "[ . 1 . 2]" 2
101 1 53 GLU HA 2 41 ASP HB2 3.650 . 5.500 5.247 4.642 5.515 0.015 2 0 "[ . 1 . 2]" 2
102 1 53 GLU HA 2 41 ASP HB3 3.650 . 5.500 4.129 3.627 4.462 . 0 0 "[ . 1 . 2]" 2
103 1 53 GLU QB 2 41 ASP HB2 3.900 . 6.000 4.664 4.135 5.231 . 0 0 "[ . 1 . 2]" 2
104 1 53 GLU QB 2 41 ASP HB3 3.900 . 6.000 4.248 3.777 4.600 . 0 0 "[ . 1 . 2]" 2
105 1 53 GLU QG 2 41 ASP HB2 3.900 . 6.000 2.846 2.249 3.462 . 0 0 "[ . 1 . 2]" 2
106 1 53 GLU QG 2 41 ASP HB3 3.900 . 6.000 2.243 1.890 3.277 . 0 0 "[ . 1 . 2]" 2
107 1 50 THR MG 2 42 ILE HB 3.400 . 5.000 3.815 3.625 3.967 . 0 0 "[ . 1 . 2]" 2
108 1 50 THR MG 2 42 ILE HG12 4.150 . 6.500 4.990 4.764 5.155 . 0 0 "[ . 1 . 2]" 2
109 1 50 THR MG 2 42 ILE HG13 4.150 . 6.500 5.331 5.132 5.476 . 0 0 "[ . 1 . 2]" 2
110 1 52 PRO HA 2 42 ILE HA 2.650 . 3.500 3.506 3.402 3.549 0.049 10 0 "[ . 1 . 2]" 2
111 1 52 PRO HA 2 42 ILE MG 3.400 . 5.000 2.026 1.948 2.192 . 0 0 "[ . 1 . 2]" 2
112 1 52 PRO HA 2 42 ILE MD 4.150 . 6.500 3.515 3.344 3.758 . 0 0 "[ . 1 . 2]" 2
113 1 52 PRO HD2 2 42 ILE MG 4.150 . 6.500 5.034 4.961 5.128 . 0 0 "[ . 1 . 2]" 2
114 1 52 PRO HD3 2 42 ILE MG 4.150 . 6.500 4.632 4.527 4.696 . 0 0 "[ . 1 . 2]" 2
115 1 53 GLU HA 2 42 ILE HA 3.400 . 5.000 4.071 3.645 4.433 . 0 0 "[ . 1 . 2]" 2
116 1 53 GLU QB 2 42 ILE HA 3.900 . 6.000 5.217 5.080 5.289 . 0 0 "[ . 1 . 2]" 2
117 1 53 GLU QG 2 42 ILE HA 3.900 . 6.000 3.864 3.356 4.072 . 0 0 "[ . 1 . 2]" 2
118 1 53 GLU H 2 42 ILE HA 3.650 . 5.500 4.285 4.162 4.377 . 0 0 "[ . 1 . 2]" 2
119 1 53 GLU HA 2 42 ILE MG 4.150 . 6.500 4.912 4.649 5.209 . 0 0 "[ . 1 . 2]" 2
120 1 53 GLU H 2 42 ILE MD 4.150 . 6.500 4.462 4.219 4.728 . 0 0 "[ . 1 . 2]" 2
121 1 53 GLU QB 2 42 ILE MG 4.650 . 7.500 5.301 5.257 5.463 . 0 0 "[ . 1 . 2]" 2
122 1 53 GLU QG 2 42 ILE MG 4.650 . 7.500 4.703 3.911 4.982 . 0 0 "[ . 1 . 2]" 2
123 1 53 GLU QG 2 42 ILE MD 4.650 . 7.500 4.787 3.925 5.119 . 0 0 "[ . 1 . 2]" 2
124 1 50 THR HA 2 43 SER HA 3.650 . 5.500 5.372 5.292 5.533 0.033 3 0 "[ . 1 . 2]" 2
125 1 51 LEU QD 2 43 SER HA 4.850 . 7.900 5.128 4.726 5.322 . 0 0 "[ . 1 . 2]" 2
126 1 51 LEU HB2 2 43 SER QB 3.900 . 6.000 2.302 1.966 2.776 . 0 0 "[ . 1 . 2]" 2
127 1 51 LEU HB3 2 43 SER QB 3.900 . 6.000 3.776 3.117 4.251 . 0 0 "[ . 1 . 2]" 2
128 1 51 LEU QD 2 43 SER HB2 4.100 . 6.400 2.995 2.584 3.570 . 0 0 "[ . 1 . 2]" 2
129 1 51 LEU QD 2 43 SER HB3 4.100 . 6.400 3.464 2.606 3.903 . 0 0 "[ . 1 . 2]" 2
130 1 51 LEU H 2 43 SER QB 3.900 . 6.000 3.258 2.926 3.725 . 0 0 "[ . 1 . 2]" 2
131 1 48 ASN HB2 2 44 ILE MG 3.400 . 5.000 3.961 3.635 4.226 . 0 0 "[ . 1 . 2]" 2
132 1 48 ASN HB3 2 44 ILE MG 3.400 . 5.000 2.671 2.371 2.980 . 0 0 "[ . 1 . 2]" 2
133 1 48 ASN HD21 2 44 ILE MG 4.150 . 6.500 3.946 2.893 4.608 . 0 0 "[ . 1 . 2]" 2
134 1 48 ASN HD22 2 44 ILE MG 4.150 . 6.500 4.911 4.249 5.459 . 0 0 "[ . 1 . 2]" 2
135 1 50 THR HA 2 44 ILE HA 2.300 . 2.800 2.030 1.975 2.181 . 0 0 "[ . 1 . 2]" 2
136 1 50 THR HB 2 44 ILE HA 3.400 . 5.000 4.954 4.888 5.024 0.024 20 0 "[ . 1 . 2]" 2
137 1 50 THR MG 2 44 ILE HA 4.150 . 6.500 3.650 3.503 3.785 . 0 0 "[ . 1 . 2]" 2
138 1 50 THR HA 2 44 ILE HB 3.400 . 5.000 4.563 4.302 4.867 . 0 0 "[ . 1 . 2]" 2
139 1 50 THR H 2 44 ILE MG 4.150 . 6.500 3.973 3.576 4.266 . 0 0 "[ . 1 . 2]" 2
140 1 50 THR HA 2 44 ILE MG 3.400 . 5.000 3.139 2.643 3.439 . 0 0 "[ . 1 . 2]" 2
141 1 50 THR HA 2 44 ILE MD 3.400 . 5.000 3.652 1.915 4.197 . 0 0 "[ . 1 . 2]" 2
142 1 50 THR HB 2 44 ILE MD 4.150 . 6.500 4.730 3.424 5.359 . 0 0 "[ . 1 . 2]" 2
143 1 50 THR MG 2 44 ILE MD 4.150 . 6.500 2.816 1.803 3.631 . 0 0 "[ . 1 . 2]" 2
144 1 50 THR MG 2 44 ILE MG 4.150 . 6.500 3.798 3.303 4.216 . 0 0 "[ . 1 . 2]" 2
145 1 51 LEU H 2 44 ILE HA 2.650 . 3.500 2.957 2.421 3.343 . 0 0 "[ . 1 . 2]" 2
146 1 48 ASN HA 2 45 LEU H 3.650 . 5.500 4.966 3.905 5.450 . 0 0 "[ . 1 . 2]" 2
147 1 48 ASN HA 2 45 LEU HA 3.650 . 5.500 5.464 5.179 5.566 0.066 6 0 "[ . 1 . 2]" 2
148 1 49 VAL HB 2 45 LEU H 3.400 . 5.000 2.780 2.563 3.316 . 0 0 "[ . 1 . 2]" 2
149 1 49 VAL H 2 45 LEU HA 3.400 . 5.000 4.355 4.221 4.416 . 0 0 "[ . 1 . 2]" 2
150 1 49 VAL H 2 45 LEU HB2 3.400 . 5.000 4.948 4.459 5.047 0.047 18 0 "[ . 1 . 2]" 2
151 1 49 VAL H 2 45 LEU HB3 3.400 . 5.000 3.817 3.385 3.950 . 0 0 "[ . 1 . 2]" 2
152 1 49 VAL H 2 45 LEU HG 3.650 . 5.500 5.420 5.099 5.527 0.027 9 0 "[ . 1 . 2]" 2
153 1 49 VAL H 2 45 LEU QD 4.850 . 7.900 4.209 3.855 4.680 . 0 0 "[ . 1 . 2]" 2
154 1 49 VAL QG 2 45 LEU QD 5.550 . 9.300 2.523 2.358 2.689 . 0 0 "[ . 1 . 2]" 2
155 1 49 VAL QG 2 45 LEU HB2 4.850 . 7.900 3.909 3.731 4.170 . 0 0 "[ . 1 . 2]" 2
156 1 49 VAL QG 2 45 LEU HB3 4.850 . 7.900 2.771 2.630 2.996 . 0 0 "[ . 1 . 2]" 2
157 1 49 VAL QG 2 45 LEU HG 4.850 . 7.900 4.462 4.068 4.747 . 0 0 "[ . 1 . 2]" 2
158 1 50 THR HA 2 45 LEU H 3.400 . 5.000 3.716 3.533 3.891 . 0 0 "[ . 1 . 2]" 2
159 1 51 LEU H 2 45 LEU H 3.400 . 5.000 3.893 3.390 4.900 . 0 0 "[ . 1 . 2]" 2
160 1 51 LEU HG 2 45 LEU H 3.400 . 5.000 4.413 3.758 5.038 0.038 5 0 "[ . 1 . 2]" 2
161 1 51 LEU HG 2 45 LEU HB2 3.400 . 5.000 4.857 4.305 5.018 0.018 19 0 "[ . 1 . 2]" 2
162 1 51 LEU HG 2 45 LEU HB3 3.400 . 5.000 4.758 4.517 5.013 0.013 14 0 "[ . 1 . 2]" 2
163 1 47 LEU H 2 46 GLU HA 3.400 . 5.000 4.376 4.154 4.683 . 0 0 "[ . 1 . 2]" 2
164 1 48 ASN HD21 2 46 GLU QG 3.900 . 4.500 2.002 1.969 2.132 . 0 0 "[ . 1 . 2]" 2
165 1 48 ASN H 2 46 GLU HA 3.400 . 5.000 4.415 4.247 4.474 . 0 0 "[ . 1 . 2]" 2
166 1 48 ASN HA 2 46 GLU HA 2.300 . 2.800 1.967 1.922 2.003 . 0 0 "[ . 1 . 2]" 2
167 1 48 ASN HB2 2 46 GLU HA 3.400 . 5.000 4.976 4.893 5.023 0.023 17 0 "[ . 1 . 2]" 2
168 1 48 ASN HB3 2 46 GLU HA 3.400 . 5.000 4.147 4.053 4.206 . 0 0 "[ . 1 . 2]" 2
169 1 48 ASN H 2 46 GLU QB 3.900 . 6.000 4.666 4.584 4.792 . 0 0 "[ . 1 . 2]" 2
170 1 48 ASN HA 2 46 GLU QB 3.150 . 4.500 2.944 2.746 3.261 . 0 0 "[ . 1 . 2]" 2
171 1 48 ASN H 2 46 GLU QG 3.900 . 6.000 4.280 4.116 4.487 . 0 0 "[ . 1 . 2]" 2
172 1 48 ASN HA 2 46 GLU QG 3.900 . 6.000 2.060 1.948 2.349 . 0 0 "[ . 1 . 2]" 2
173 1 48 ASN HD21 2 46 GLU HA 3.650 . 5.500 3.533 2.451 4.724 . 0 0 "[ . 1 . 2]" 2
174 1 48 ASN HD22 2 46 GLU HA 3.400 . 5.000 4.760 4.065 5.112 0.112 13 0 "[ . 1 . 2]" 2
175 1 48 ASN HD21 2 46 GLU QB 3.150 . 4.500 2.505 1.961 3.675 . 0 0 "[ . 1 . 2]" 2
176 1 48 ASN HD22 2 46 GLU QB 3.150 . 4.500 3.113 2.657 3.450 . 0 0 "[ . 1 . 2]" 2
177 1 48 ASN HD22 2 46 GLU QG 3.150 . 4.500 2.990 2.723 3.198 . 0 0 "[ . 1 . 2]" 2
178 1 49 VAL H 2 46 GLU QG 3.900 . 6.000 2.958 2.615 3.236 . 0 0 "[ . 1 . 2]" 2
179 1 49 VAL H 2 46 GLU HA 3.400 . 5.000 2.999 2.856 3.295 . 0 0 "[ . 1 . 2]" 2
180 1 47 LEU HG 2 47 LEU H 3.900 . 6.000 2.771 2.687 2.928 . 0 0 "[ . 1 . 2]" 2
181 1 47 LEU QD 2 47 LEU H 4.850 . 7.900 3.369 3.295 3.527 . 0 0 "[ . 1 . 2]" 2
182 1 48 ASN HA 2 47 LEU H 3.400 . 5.000 3.718 3.654 3.846 . 0 0 "[ . 1 . 2]" 2
183 1 48 ASN H 2 47 LEU QD 4.850 . 7.900 4.861 4.738 5.449 . 0 0 "[ . 1 . 2]" 2
184 1 8 TYR QB 2 20 ILE HA 4.150 . 6.500 4.804 4.553 5.018 . 0 0 "[ . 1 . 2]" 2
185 1 8 TYR HA 2 23 TYR CZ 3.900 . 6.000 5.645 5.313 5.793 . 0 0 "[ . 1 . 2]" 2
186 1 8 TYR HA 2 23 TYR CG 3.650 . 5.500 4.687 4.559 4.817 . 0 0 "[ . 1 . 2]" 2
187 1 8 TYR HB2 2 23 TYR CZ 4.400 . 7.000 5.494 5.186 5.669 . 0 0 "[ . 1 . 2]" 2
188 1 8 TYR HB2 2 23 TYR CG 4.400 . 7.000 3.360 3.141 3.478 . 0 0 "[ . 1 . 2]" 2
189 1 8 TYR HB3 2 23 TYR CZ 4.400 . 7.000 5.922 5.461 6.146 . 0 0 "[ . 1 . 2]" 2
190 1 8 TYR HB3 2 23 TYR CG 4.400 . 7.000 4.100 3.764 4.277 . 0 0 "[ . 1 . 2]" 2
191 1 8 TYR CG 2 23 TYR HA 4.400 . 7.000 5.675 5.510 5.804 . 0 0 "[ . 1 . 2]" 2
192 1 8 TYR CG 2 23 TYR HB2 4.400 . 7.000 4.386 4.232 4.553 . 0 0 "[ . 1 . 2]" 2
193 1 8 TYR CG 2 23 TYR HB3 4.400 . 7.000 3.475 3.254 3.598 . 0 0 "[ . 1 . 2]" 2
194 1 8 TYR CG 2 23 TYR CG 5.400 . 9.000 5.321 5.033 5.478 . 0 0 "[ . 1 . 2]" 2
195 1 8 TYR CZ 2 23 TYR CG 5.400 . 9.000 7.749 7.451 7.926 . 0 0 "[ . 1 . 2]" 2
196 1 8 TYR CG 2 23 TYR CZ 5.400 . 9.000 7.532 7.168 7.726 . 0 0 "[ . 1 . 2]" 2
197 1 8 TYR CG 2 24 VAL HA 4.400 . 7.000 6.012 5.867 6.374 . 0 0 "[ . 1 . 2]" 2
198 1 8 TYR CG 2 24 VAL HB 4.400 . 7.000 5.992 5.818 6.229 . 0 0 "[ . 1 . 2]" 2
199 1 8 TYR CZ 2 24 VAL HB 4.400 . 7.000 5.838 5.671 6.021 . 0 0 "[ . 1 . 2]" 2
200 1 8 TYR CG 2 24 VAL QG 5.100 . 8.400 2.974 2.848 3.202 . 0 0 "[ . 1 . 2]" 2
201 1 8 TYR CZ 2 24 VAL QG 5.100 . 8.400 2.998 2.898 3.124 . 0 0 "[ . 1 . 2]" 2
202 1 9 LEU MD1 2 20 ILE HA 4.400 . 7.000 5.170 5.072 5.282 . 0 0 "[ . 1 . 2]" 2
203 1 9 LEU MD2 2 20 ILE HA 4.400 . 7.000 4.829 4.723 4.913 . 0 0 "[ . 1 . 2]" 2
204 1 9 LEU MD1 2 20 ILE HB 4.400 . 7.000 5.696 5.662 5.727 . 0 0 "[ . 1 . 2]" 2
205 1 9 LEU MD2 2 20 ILE HB 4.400 . 7.000 5.676 5.591 5.729 . 0 0 "[ . 1 . 2]" 2
206 1 9 LEU HA 2 20 ILE MD 4.150 . 6.500 5.316 5.147 5.394 . 0 0 "[ . 1 . 2]" 2
207 1 9 LEU QD 2 20 ILE MD 4.850 . 7.900 3.644 3.478 3.727 . 0 0 "[ . 1 . 2]" 2
208 1 9 LEU QD 2 20 ILE QG 5.350 . 8.900 3.156 3.097 3.206 . 0 0 "[ . 1 . 2]" 2
209 1 9 LEU QD 2 20 ILE MG 4.850 . 7.900 2.843 2.782 2.905 . 0 0 "[ . 1 . 2]" 2
210 1 11 GLN QE 2 19 VAL QG 5.350 . 8.900 4.740 4.477 5.665 . 0 0 "[ . 1 . 2]" 2
211 1 11 GLN HA 2 23 TYR CZ 4.650 . 7.500 6.690 6.538 6.824 . 0 0 "[ . 1 . 2]" 2
212 1 11 GLN HB2 2 23 TYR CG 4.400 . 7.000 6.031 5.933 6.146 . 0 0 "[ . 1 . 2]" 2
213 1 11 GLN HB3 2 23 TYR CG 4.400 . 7.000 4.674 4.572 4.807 . 0 0 "[ . 1 . 2]" 2
214 1 11 GLN HB2 2 23 TYR CZ 4.400 . 7.000 5.650 5.402 5.805 . 0 0 "[ . 1 . 2]" 2
215 1 11 GLN HB3 2 23 TYR CZ 4.400 . 7.000 4.736 4.643 4.871 . 0 0 "[ . 1 . 2]" 2
216 1 11 GLN QG 2 23 TYR CG 4.900 . 8.000 4.266 4.079 4.323 . 0 0 "[ . 1 . 2]" 2
217 1 11 GLN QG 2 23 TYR CZ 4.150 . 6.500 3.125 2.836 3.264 . 0 0 "[ . 1 . 2]" 2
218 1 11 GLN QG 2 23 TYR HB2 3.900 . 6.000 5.426 5.272 5.453 . 0 0 "[ . 1 . 2]" 2
219 1 11 GLN QG 2 23 TYR HB3 3.900 . 6.000 5.275 5.191 5.325 . 0 0 "[ . 1 . 2]" 2
220 1 12 LEU HA 2 16 ILE MD 4.150 . 6.500 4.229 2.763 4.901 . 0 0 "[ . 1 . 2]" 2
221 1 12 LEU HA 2 16 ILE QG 3.900 . 6.000 4.079 3.856 4.532 . 0 0 "[ . 1 . 2]" 2
222 1 12 LEU HB2 2 16 ILE HA 3.650 . 5.500 5.574 5.545 5.610 0.110 12 0 "[ . 1 . 2]" 2
223 1 12 LEU HB3 2 16 ILE HA 3.650 . 5.500 3.870 3.836 3.908 . 0 0 "[ . 1 . 2]" 2
224 1 12 LEU HB2 2 16 ILE MD 4.150 . 6.500 3.817 3.272 4.136 . 0 0 "[ . 1 . 2]" 2
225 1 12 LEU HB3 2 16 ILE MD 4.150 . 6.500 3.111 1.942 3.634 . 0 0 "[ . 1 . 2]" 2
226 1 12 LEU HG 2 16 ILE MD 4.150 . 6.500 4.876 3.654 5.409 . 0 0 "[ . 1 . 2]" 2
227 1 12 LEU MD1 2 16 ILE MD 4.900 . 8.000 4.965 3.802 5.489 . 0 0 "[ . 1 . 2]" 2
228 1 12 LEU MD2 2 16 ILE MD 4.900 . 8.000 4.717 4.235 4.948 . 0 0 "[ . 1 . 2]" 2
229 1 12 LEU MD1 2 19 VAL HB 4.150 . 6.500 3.899 3.685 3.990 . 0 0 "[ . 1 . 2]" 2
230 1 12 LEU MD2 2 19 VAL HB 4.150 . 6.500 4.663 4.595 4.769 . 0 0 "[ . 1 . 2]" 2
231 1 12 LEU QD 2 19 VAL MG1 4.850 . 7.900 1.826 1.766 1.843 0.034 9 0 "[ . 1 . 2]" 2
232 1 12 LEU QD 2 19 VAL MG2 4.850 . 7.900 4.007 3.933 4.044 . 0 0 "[ . 1 . 2]" 2
233 1 12 LEU QD 2 20 ILE HB 4.850 . 7.900 3.753 3.703 3.807 . 0 0 "[ . 1 . 2]" 2
234 1 12 LEU QD 2 20 ILE HA 4.100 . 6.400 1.911 1.900 1.930 . 0 0 "[ . 1 . 2]" 2
235 1 12 LEU QD 2 20 ILE QG 4.600 . 7.400 1.939 1.913 1.995 . 0 0 "[ . 1 . 2]" 2
236 1 12 LEU MD1 2 20 ILE MG 4.150 . 6.500 4.321 4.242 4.382 . 0 0 "[ . 1 . 2]" 2
237 1 12 LEU MD2 2 20 ILE MG 4.150 . 6.500 2.038 1.975 2.159 . 0 0 "[ . 1 . 2]" 2
238 1 12 LEU QD 2 22 LYS QD 5.350 . 8.900 4.406 4.290 4.511 . 0 0 "[ . 1 . 2]" 2
239 1 12 LEU H 2 23 TYR CG 4.400 . 7.000 5.924 5.871 5.966 . 0 0 "[ . 1 . 2]" 2
240 1 12 LEU H 2 23 TYR CZ 4.400 . 7.000 6.319 6.171 6.372 . 0 0 "[ . 1 . 2]" 2
241 1 12 LEU HA 2 23 TYR CG 4.400 . 7.000 5.934 5.875 6.059 . 0 0 "[ . 1 . 2]" 2
242 1 12 LEU HA 2 23 TYR CZ 3.650 . 5.500 5.608 5.572 5.633 0.133 18 0 "[ . 1 . 2]" 2
243 1 12 LEU QB 2 23 TYR CZ 5.150 . 8.500 6.491 6.414 6.542 . 0 0 "[ . 1 . 2]" 2
244 1 12 LEU MD1 2 23 TYR CG 5.150 . 8.500 2.443 2.430 2.509 . 0 0 "[ . 1 . 2]" 2
245 1 12 LEU MD2 2 23 TYR CG 5.150 . 8.500 3.742 3.632 3.829 . 0 0 "[ . 1 . 2]" 2
246 1 12 LEU MD1 2 23 TYR HB2 3.400 . 5.000 2.465 2.352 2.698 . 0 0 "[ . 1 . 2]" 2
247 1 12 LEU MD2 2 23 TYR HB3 3.400 . 5.000 3.357 3.289 3.433 . 0 0 "[ . 1 . 2]" 2
248 1 12 LEU QD 2 23 TYR CZ 5.100 . 8.400 3.222 3.104 3.291 . 0 0 "[ . 1 . 2]" 2
249 1 13 ARG HA 2 16 ILE MD 3.400 . 5.000 2.281 2.124 2.442 . 0 0 "[ . 1 . 2]" 2
250 1 14 LYS H 2 16 ILE MD 4.150 . 6.500 4.962 4.406 5.229 . 0 0 "[ . 1 . 2]" 2
251 1 15 ASP H 2 16 ILE QG 3.900 . 6.000 5.199 5.048 5.501 . 0 0 "[ . 1 . 2]" 2
252 1 15 ASP HA 2 19 VAL MG1 4.150 . 6.500 4.762 4.659 4.873 . 0 0 "[ . 1 . 2]" 2
253 1 15 ASP HA 2 19 VAL MG2 4.150 . 6.500 5.137 4.961 5.276 . 0 0 "[ . 1 . 2]" 2
254 1 15 ASP QB 2 19 VAL HA 4.150 . 6.500 5.270 5.165 5.395 . 0 0 "[ . 1 . 2]" 2
255 1 15 ASP HB2 2 19 VAL HB 3.400 . 5.000 4.196 4.054 4.378 . 0 0 "[ . 1 . 2]" 2
256 1 15 ASP HB3 2 19 VAL HB 3.400 . 5.000 4.762 4.518 4.936 . 0 0 "[ . 1 . 2]" 2
257 1 15 ASP HB2 2 19 VAL MG1 3.400 . 5.000 2.419 2.331 2.591 . 0 0 "[ . 1 . 2]" 2
258 1 15 ASP HB3 2 19 VAL MG1 3.400 . 5.000 2.920 2.692 3.059 . 0 0 "[ . 1 . 2]" 2
259 1 15 ASP HB2 2 19 VAL MG2 3.400 . 5.000 3.391 3.202 3.556 . 0 0 "[ . 1 . 2]" 2
260 1 15 ASP HB3 2 19 VAL MG2 3.400 . 5.000 2.986 2.820 3.096 . 0 0 "[ . 1 . 2]" 2
261 1 15 ASP HB2 2 23 TYR CZ 4.400 . 7.000 6.823 6.696 6.979 . 0 0 "[ . 1 . 2]" 2
262 1 15 ASP HB3 2 23 TYR CZ 4.400 . 7.000 6.990 6.917 7.036 0.036 8 0 "[ . 1 . 2]" 2
263 1 16 ILE H 2 16 ILE HA 3.400 . 5.000 4.706 4.612 4.783 . 0 0 "[ . 1 . 2]" 2
264 1 16 ILE H 2 16 ILE QG 3.900 . 6.000 3.771 3.596 4.124 . 0 0 "[ . 1 . 2]" 2
265 1 16 ILE H 2 16 ILE MG 4.150 . 6.500 5.455 5.417 5.481 . 0 0 "[ . 1 . 2]" 2
266 1 16 ILE H 2 16 ILE MD 4.150 . 6.500 3.010 2.114 3.594 . 0 0 "[ . 1 . 2]" 2
267 1 16 ILE HA 2 16 ILE MG 4.150 . 6.500 5.133 4.980 5.409 . 0 0 "[ . 1 . 2]" 2
268 1 16 ILE HA 2 16 ILE MD 4.150 . 6.500 3.971 3.248 4.331 . 0 0 "[ . 1 . 2]" 2
269 1 16 ILE MD 2 16 ILE MG 3.800 . 5.800 2.200 1.895 2.867 . 0 0 "[ . 1 . 2]" 2
270 1 16 ILE MD 2 19 VAL QG 5.600 . 9.400 4.504 3.408 5.101 . 0 0 "[ . 1 . 2]" 2
271 1 19 VAL QG 2 12 LEU HA 4.850 . 7.900 1.941 1.920 2.000 . 0 0 "[ . 1 . 2]" 2
272 1 19 VAL QG 2 12 LEU QD 5.550 . 9.300 1.823 1.764 1.840 0.036 9 0 "[ . 1 . 2]" 2
273 1 19 VAL QG 2 15 ASP HA 4.850 . 7.900 4.388 4.300 4.477 . 0 0 "[ . 1 . 2]" 2
274 1 19 VAL QG 2 16 ILE HA 4.850 . 7.900 4.336 4.224 4.476 . 0 0 "[ . 1 . 2]" 2
275 1 30 MET ME 2 42 ILE MG 4.150 . 6.500 3.226 3.091 3.496 . 0 0 "[ . 1 . 2]" 2
276 1 30 MET ME 2 42 ILE MD 4.150 . 6.500 4.212 3.919 4.296 . 0 0 "[ . 1 . 2]" 2
277 1 31 VAL QG 2 45 LEU QD 5.550 . 9.300 4.820 4.740 4.875 . 0 0 "[ . 1 . 2]" 2
278 1 34 GLN QG 2 48 ASN HA 3.900 . 6.000 5.394 5.349 5.493 . 0 0 "[ . 1 . 2]" 2
279 1 41 ASP HB2 2 53 GLU HA 3.650 . 5.500 5.247 4.645 5.515 0.015 2 0 "[ . 1 . 2]" 2
280 1 41 ASP HB3 2 53 GLU HA 3.650 . 5.500 4.128 3.629 4.458 . 0 0 "[ . 1 . 2]" 2
281 1 41 ASP HB2 2 53 GLU QB 3.900 . 6.000 4.663 4.137 5.231 . 0 0 "[ . 1 . 2]" 2
282 1 41 ASP HB3 2 53 GLU QB 3.900 . 6.000 4.247 3.778 4.599 . 0 0 "[ . 1 . 2]" 2
283 1 41 ASP HB2 2 53 GLU QG 3.900 . 6.000 2.846 2.250 3.463 . 0 0 "[ . 1 . 2]" 2
284 1 41 ASP HB3 2 53 GLU QG 3.900 . 6.000 2.242 1.892 3.278 . 0 0 "[ . 1 . 2]" 2
285 1 42 ILE HB 2 50 THR MG 3.400 . 5.000 3.814 3.622 3.957 . 0 0 "[ . 1 . 2]" 2
286 1 42 ILE HG12 2 50 THR MG 4.150 . 6.500 4.989 4.761 5.146 . 0 0 "[ . 1 . 2]" 2
287 1 42 ILE HG13 2 50 THR MG 4.150 . 6.500 5.330 5.130 5.477 . 0 0 "[ . 1 . 2]" 2
288 1 42 ILE HA 2 52 PRO HA 2.650 . 3.500 3.504 3.401 3.545 0.045 10 0 "[ . 1 . 2]" 2
289 1 42 ILE MG 2 52 PRO HA 3.400 . 5.000 2.025 1.950 2.192 . 0 0 "[ . 1 . 2]" 2
290 1 42 ILE MD 2 52 PRO HA 4.150 . 6.500 3.515 3.343 3.758 . 0 0 "[ . 1 . 2]" 2
291 1 42 ILE MG 2 52 PRO HD2 4.150 . 6.500 5.034 4.962 5.128 . 0 0 "[ . 1 . 2]" 2
292 1 42 ILE MG 2 52 PRO HD3 4.150 . 6.500 4.631 4.528 4.694 . 0 0 "[ . 1 . 2]" 2
293 1 42 ILE HA 2 53 GLU HA 3.400 . 5.000 4.071 3.646 4.434 . 0 0 "[ . 1 . 2]" 2
294 1 42 ILE HA 2 53 GLU H 3.650 . 5.500 4.283 4.162 4.361 . 0 0 "[ . 1 . 2]" 2
295 1 42 ILE HA 2 53 GLU QB 3.900 . 6.000 5.216 5.078 5.286 . 0 0 "[ . 1 . 2]" 2
296 1 42 ILE HA 2 53 GLU QG 3.900 . 6.000 3.864 3.358 4.073 . 0 0 "[ . 1 . 2]" 2
297 1 42 ILE MG 2 53 GLU HA 4.150 . 6.500 4.913 4.651 5.211 . 0 0 "[ . 1 . 2]" 2
298 1 42 ILE MD 2 53 GLU H 4.150 . 6.500 4.462 4.218 4.728 . 0 0 "[ . 1 . 2]" 2
299 1 42 ILE MG 2 53 GLU QB 4.650 . 7.500 5.302 5.259 5.463 . 0 0 "[ . 1 . 2]" 2
300 1 42 ILE MG 2 53 GLU QG 4.650 . 7.500 4.704 3.912 4.983 . 0 0 "[ . 1 . 2]" 2
301 1 42 ILE MD 2 53 GLU QG 4.650 . 7.500 4.788 3.925 5.139 . 0 0 "[ . 1 . 2]" 2
302 1 43 SER HA 2 50 THR HA 3.650 . 5.500 5.371 5.291 5.533 0.033 3 0 "[ . 1 . 2]" 2
303 1 43 SER HA 2 51 LEU QD 4.850 . 7.900 5.127 4.720 5.321 . 0 0 "[ . 1 . 2]" 2
304 1 43 SER QB 2 51 LEU HB2 3.900 . 6.000 2.300 1.966 2.765 . 0 0 "[ . 1 . 2]" 2
305 1 43 SER QB 2 51 LEU HB3 3.900 . 6.000 3.774 3.116 4.240 . 0 0 "[ . 1 . 2]" 2
306 1 43 SER HB2 2 51 LEU QD 4.100 . 6.400 2.995 2.585 3.569 . 0 0 "[ . 1 . 2]" 2
307 1 43 SER HB3 2 51 LEU QD 4.100 . 6.400 3.463 2.603 3.902 . 0 0 "[ . 1 . 2]" 2
308 1 43 SER QB 2 51 LEU H 3.900 . 6.000 3.256 2.926 3.709 . 0 0 "[ . 1 . 2]" 2
309 1 44 ILE MG 2 48 ASN HB2 3.400 . 5.000 3.960 3.633 4.220 . 0 0 "[ . 1 . 2]" 2
310 1 44 ILE MG 2 48 ASN HB3 3.400 . 5.000 2.670 2.369 2.973 . 0 0 "[ . 1 . 2]" 2
311 1 44 ILE MG 2 48 ASN HD21 4.150 . 6.500 3.946 2.892 4.607 . 0 0 "[ . 1 . 2]" 2
312 1 44 ILE MG 2 48 ASN HD22 4.150 . 6.500 4.910 4.248 5.455 . 0 0 "[ . 1 . 2]" 2
313 1 44 ILE HA 2 50 THR HA 2.300 . 2.800 2.029 1.975 2.179 . 0 0 "[ . 1 . 2]" 2
314 1 44 ILE HA 2 50 THR HB 3.400 . 5.000 4.953 4.889 5.021 0.021 20 0 "[ . 1 . 2]" 2
315 1 44 ILE HA 2 50 THR MG 4.150 . 6.500 3.650 3.502 3.784 . 0 0 "[ . 1 . 2]" 2
316 1 44 ILE HB 2 50 THR HA 3.400 . 5.000 4.562 4.302 4.866 . 0 0 "[ . 1 . 2]" 2
317 1 44 ILE MG 2 50 THR H 4.150 . 6.500 3.972 3.571 4.265 . 0 0 "[ . 1 . 2]" 2
318 1 44 ILE MG 2 50 THR HA 3.400 . 5.000 3.138 2.643 3.439 . 0 0 "[ . 1 . 2]" 2
319 1 44 ILE MD 2 50 THR HA 3.400 . 5.000 3.652 1.915 4.197 . 0 0 "[ . 1 . 2]" 2
320 1 44 ILE MD 2 50 THR HB 4.150 . 6.500 4.729 3.417 5.360 . 0 0 "[ . 1 . 2]" 2
321 1 44 ILE MD 2 50 THR MG 4.150 . 6.500 2.816 1.799 3.631 0.001 5 0 "[ . 1 . 2]" 2
322 1 44 ILE MG 2 50 THR MG 4.150 . 6.500 3.797 3.303 4.216 . 0 0 "[ . 1 . 2]" 2
323 1 44 ILE HA 2 51 LEU H 2.650 . 3.500 2.957 2.422 3.344 . 0 0 "[ . 1 . 2]" 2
324 1 45 LEU H 2 48 ASN HA 3.650 . 5.500 4.965 3.903 5.451 . 0 0 "[ . 1 . 2]" 2
325 1 45 LEU HA 2 48 ASN HA 3.650 . 5.500 5.464 5.177 5.567 0.067 6 0 "[ . 1 . 2]" 2
326 1 45 LEU H 2 49 VAL HB 3.400 . 5.000 2.780 2.563 3.317 . 0 0 "[ . 1 . 2]" 2
327 1 45 LEU HA 2 49 VAL H 3.400 . 5.000 4.354 4.217 4.414 . 0 0 "[ . 1 . 2]" 2
328 1 45 LEU HB2 2 49 VAL H 3.400 . 5.000 4.948 4.455 5.052 0.052 18 0 "[ . 1 . 2]" 2
329 1 45 LEU HB3 2 49 VAL H 3.400 . 5.000 3.817 3.381 3.951 . 0 0 "[ . 1 . 2]" 2
330 1 45 LEU HG 2 49 VAL H 3.650 . 5.500 5.420 5.097 5.531 0.031 18 0 "[ . 1 . 2]" 2
331 1 45 LEU QD 2 49 VAL H 4.850 . 7.900 4.209 3.854 4.679 . 0 0 "[ . 1 . 2]" 2
332 1 45 LEU QD 2 49 VAL QG 5.550 . 9.300 2.523 2.359 2.690 . 0 0 "[ . 1 . 2]" 2
333 1 45 LEU HB2 2 49 VAL QG 4.850 . 7.900 3.908 3.731 4.168 . 0 0 "[ . 1 . 2]" 2
334 1 45 LEU HB3 2 49 VAL QG 4.850 . 7.900 2.771 2.627 2.995 . 0 0 "[ . 1 . 2]" 2
335 1 45 LEU HG 2 49 VAL QG 4.850 . 7.900 4.462 4.066 4.747 . 0 0 "[ . 1 . 2]" 2
336 1 45 LEU H 2 50 THR HA 3.400 . 5.000 3.716 3.532 3.891 . 0 0 "[ . 1 . 2]" 2
337 1 45 LEU H 2 51 LEU H 3.400 . 5.000 3.893 3.388 4.899 . 0 0 "[ . 1 . 2]" 2
338 1 45 LEU H 2 51 LEU HG 3.400 . 5.000 4.413 3.758 5.039 0.039 5 0 "[ . 1 . 2]" 2
339 1 45 LEU HB2 2 51 LEU HG 3.400 . 5.000 4.856 4.300 5.017 0.017 19 0 "[ . 1 . 2]" 2
340 1 45 LEU HB3 2 51 LEU HG 3.400 . 5.000 4.758 4.517 5.012 0.012 14 0 "[ . 1 . 2]" 2
341 1 46 GLU HA 2 47 LEU H 3.400 . 5.000 4.376 4.153 4.683 . 0 0 "[ . 1 . 2]" 2
342 1 46 GLU QG 2 48 ASN HD21 3.900 . 4.500 2.002 1.969 2.132 . 0 0 "[ . 1 . 2]" 2
343 1 46 GLU HA 2 48 ASN H 3.400 . 5.000 4.415 4.245 4.475 . 0 0 "[ . 1 . 2]" 2
344 1 46 GLU HA 2 48 ASN HA 2.300 . 2.800 1.967 1.922 2.004 . 0 0 "[ . 1 . 2]" 2
345 1 46 GLU HA 2 48 ASN HB2 3.400 . 5.000 4.976 4.892 5.024 0.024 17 0 "[ . 1 . 2]" 2
346 1 46 GLU HA 2 48 ASN HB3 3.400 . 5.000 4.147 4.053 4.207 . 0 0 "[ . 1 . 2]" 2
347 1 46 GLU QB 2 48 ASN H 3.900 . 6.000 4.665 4.582 4.791 . 0 0 "[ . 1 . 2]" 2
348 1 46 GLU QB 2 48 ASN HA 3.150 . 4.500 2.943 2.748 3.260 . 0 0 "[ . 1 . 2]" 2
349 1 46 GLU QG 2 48 ASN H 3.900 . 6.000 4.280 4.117 4.484 . 0 0 "[ . 1 . 2]" 2
350 1 46 GLU QG 2 48 ASN HA 3.900 . 6.000 2.060 1.948 2.348 . 0 0 "[ . 1 . 2]" 2
351 1 46 GLU HA 2 48 ASN HD21 3.650 . 5.500 3.533 2.450 4.726 . 0 0 "[ . 1 . 2]" 2
352 1 46 GLU HA 2 48 ASN HD22 3.400 . 5.000 4.760 4.065 5.112 0.112 13 0 "[ . 1 . 2]" 2
353 1 46 GLU QB 2 48 ASN HD21 3.150 . 4.500 2.504 1.960 3.675 . 0 0 "[ . 1 . 2]" 2
354 1 46 GLU QB 2 48 ASN HD22 3.150 . 4.500 3.113 2.656 3.450 . 0 0 "[ . 1 . 2]" 2
355 1 46 GLU QG 2 48 ASN HD22 3.150 . 4.500 2.990 2.719 3.198 . 0 0 "[ . 1 . 2]" 2
356 1 46 GLU QG 2 49 VAL H 3.900 . 6.000 2.957 2.614 3.237 . 0 0 "[ . 1 . 2]" 2
357 1 46 GLU HA 2 49 VAL H 3.400 . 5.000 2.999 2.857 3.295 . 0 0 "[ . 1 . 2]" 2
358 1 47 LEU H 2 47 LEU HG 3.900 . 6.000 2.771 2.685 2.929 . 0 0 "[ . 1 . 2]" 2
359 1 47 LEU H 2 47 LEU QD 4.850 . 7.900 3.369 3.295 3.530 . 0 0 "[ . 1 . 2]" 2
360 1 47 LEU H 2 48 ASN HA 3.400 . 5.000 3.717 3.655 3.847 . 0 0 "[ . 1 . 2]" 2
361 1 47 LEU QD 2 48 ASN H 4.850 . 7.900 4.861 4.738 5.450 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 100
_Distance_constraint_stats_list.Viol_count 731
_Distance_constraint_stats_list.Viol_total 578.184
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0275
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0395
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 1.248 0.066 1 0 "[ . 1 . 2]"
1 10 PRO 0.989 0.064 17 0 "[ . 1 . 2]"
1 11 GLN 1.907 0.162 14 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ARG 2.710 0.120 14 0 "[ . 1 . 2]"
1 14 LYS 0.989 0.064 17 0 "[ . 1 . 2]"
1 15 ASP 3.414 0.162 14 0 "[ . 1 . 2]"
1 16 ILE 0.201 0.037 20 0 "[ . 1 . 2]"
1 17 LEU 2.340 0.120 14 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 1.788 0.088 12 0 "[ . 1 . 2]"
1 20 ILE 0.201 0.037 20 0 "[ . 1 . 2]"
1 21 CYS 2.983 0.113 6 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.282 0.046 9 0 "[ . 1 . 2]"
1 24 VAL 2.105 0.113 6 0 "[ . 1 . 2]"
1 27 ASP 0.585 0.036 20 0 "[ . 1 . 2]"
1 28 PRO 0.180 0.026 11 0 "[ . 1 . 2]"
1 30 MET 0.612 0.036 20 0 "[ . 1 . 2]"
1 31 VAL 0.180 0.026 11 0 "[ . 1 . 2]"
1 32 THR 0.113 0.022 1 0 "[ . 1 . 2]"
1 34 GLN 1.303 0.063 1 0 "[ . 1 . 2]"
1 36 GLU 1.117 0.084 16 0 "[ . 1 . 2]"
1 43 SER 0.128 0.036 13 0 "[ . 1 . 2]"
1 44 ILE 1.117 0.084 16 0 "[ . 1 . 2]"
1 45 LEU 0.317 0.033 16 0 "[ . 1 . 2]"
1 46 GLU 1.303 0.063 1 0 "[ . 1 . 2]"
1 47 LEU 0.207 0.046 8 0 "[ . 1 . 2]"
1 48 ASN 0.113 0.022 1 0 "[ . 1 . 2]"
1 49 VAL 0.304 0.034 18 0 "[ . 1 . 2]"
1 50 THR 0.027 0.014 8 0 "[ . 1 . 2]"
1 51 LEU 0.133 0.034 13 0 "[ . 1 . 2]"
2 8 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 LEU 1.243 0.067 5 0 "[ . 1 . 2]"
2 10 PRO 0.985 0.063 17 0 "[ . 1 . 2]"
2 11 GLN 1.905 0.162 14 0 "[ . 1 . 2]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ARG 2.707 0.119 14 0 "[ . 1 . 2]"
2 14 LYS 0.985 0.063 17 0 "[ . 1 . 2]"
2 15 ASP 3.416 0.162 14 0 "[ . 1 . 2]"
2 16 ILE 0.203 0.038 17 0 "[ . 1 . 2]"
2 17 LEU 2.341 0.119 14 0 "[ . 1 . 2]"
2 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 VAL 1.793 0.087 12 0 "[ . 1 . 2]"
2 20 ILE 0.203 0.038 17 0 "[ . 1 . 2]"
2 21 CYS 2.974 0.112 6 0 "[ . 1 . 2]"
2 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 TYR 0.282 0.045 9 0 "[ . 1 . 2]"
2 24 VAL 2.096 0.112 6 0 "[ . 1 . 2]"
2 27 ASP 0.582 0.037 20 0 "[ . 1 . 2]"
2 28 PRO 0.182 0.026 11 0 "[ . 1 . 2]"
2 30 MET 0.609 0.037 20 0 "[ . 1 . 2]"
2 31 VAL 0.182 0.026 11 0 "[ . 1 . 2]"
2 32 THR 0.115 0.022 1 0 "[ . 1 . 2]"
2 34 GLN 1.302 0.064 1 0 "[ . 1 . 2]"
2 36 GLU 1.143 0.084 16 0 "[ . 1 . 2]"
2 43 SER 0.133 0.034 13 0 "[ . 1 . 2]"
2 44 ILE 1.143 0.084 16 0 "[ . 1 . 2]"
2 45 LEU 0.304 0.034 18 0 "[ . 1 . 2]"
2 46 GLU 1.302 0.064 1 0 "[ . 1 . 2]"
2 47 LEU 0.207 0.046 8 0 "[ . 1 . 2]"
2 48 ASN 0.115 0.022 1 0 "[ . 1 . 2]"
2 49 VAL 0.317 0.033 16 0 "[ . 1 . 2]"
2 50 THR 0.027 0.014 8 0 "[ . 1 . 2]"
2 51 LEU 0.128 0.036 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 TYR O 1 12 LEU N 3.000 2.700 3.300 2.983 2.918 3.085 . 0 0 "[ . 1 . 2]" 3
2 1 8 TYR O 1 12 LEU H 2.000 . 2.300 2.124 2.037 2.246 . 0 0 "[ . 1 . 2]" 3
3 1 9 LEU O 1 13 ARG N 3.000 2.700 3.300 3.311 3.294 3.323 0.023 20 0 "[ . 1 . 2]" 3
4 1 9 LEU O 1 13 ARG H 2.000 . 2.300 2.351 2.329 2.366 0.066 1 0 "[ . 1 . 2]" 3
5 1 10 PRO O 1 14 LYS N 3.000 2.700 3.300 3.285 3.259 3.302 0.002 17 0 "[ . 1 . 2]" 3
6 1 10 PRO O 1 14 LYS H 2.000 . 2.300 2.349 2.322 2.364 0.064 17 0 "[ . 1 . 2]" 3
7 1 11 GLN O 1 15 ASP N 3.000 2.700 3.300 3.168 3.121 3.226 . 0 0 "[ . 1 . 2]" 3
8 1 11 GLN O 1 15 ASP H 2.000 . 2.300 2.395 2.336 2.462 0.162 14 0 "[ . 1 . 2]" 3
9 1 12 LEU O 1 16 ILE N 3.000 2.700 3.300 2.975 2.894 3.114 . 0 0 "[ . 1 . 2]" 3
10 1 12 LEU O 1 16 ILE H 2.000 . 2.300 2.050 1.961 2.214 . 0 0 "[ . 1 . 2]" 3
11 1 13 ARG O 1 17 LEU N 3.000 2.700 3.300 3.230 3.169 3.326 0.026 14 0 "[ . 1 . 2]" 3
12 1 13 ARG O 1 17 LEU H 2.000 . 2.300 2.369 2.335 2.420 0.120 14 0 "[ . 1 . 2]" 3
13 1 14 LYS O 1 18 GLU N 3.000 2.700 3.300 3.105 2.978 3.190 . 0 0 "[ . 1 . 2]" 3
14 1 14 LYS O 1 18 GLU H 2.000 . 2.300 2.179 2.034 2.275 . 0 0 "[ . 1 . 2]" 3
15 1 15 ASP O 1 19 VAL N 3.000 2.700 3.300 2.631 2.612 2.658 0.088 12 0 "[ . 1 . 2]" 3
16 1 15 ASP O 1 19 VAL H 2.000 . 2.300 1.694 1.680 1.705 0.020 11 0 "[ . 1 . 2]" 3
17 1 16 ILE O 1 20 ILE N 3.000 2.700 3.300 2.746 2.663 2.844 0.037 20 0 "[ . 1 . 2]" 3
18 1 16 ILE O 1 20 ILE H 2.000 . 2.300 1.772 1.692 1.869 0.008 10 0 "[ . 1 . 2]" 3
19 1 17 LEU O 1 21 CYS N 3.000 2.700 3.300 3.059 2.986 3.112 . 0 0 "[ . 1 . 2]" 3
20 1 17 LEU O 1 21 CYS H 2.000 . 2.300 2.344 2.310 2.374 0.074 15 0 "[ . 1 . 2]" 3
21 1 18 GLU O 1 22 LYS N 3.000 2.700 3.300 2.783 2.710 2.842 . 0 0 "[ . 1 . 2]" 3
22 1 18 GLU O 1 22 LYS H 2.000 . 2.300 1.872 1.795 1.934 . 0 0 "[ . 1 . 2]" 3
23 1 19 VAL O 1 23 TYR N 3.000 2.700 3.300 3.209 3.166 3.226 . 0 0 "[ . 1 . 2]" 3
24 1 19 VAL O 1 23 TYR H 2.000 . 2.300 2.307 2.254 2.346 0.046 9 0 "[ . 1 . 2]" 3
25 2 8 TYR O 2 12 LEU N 3.000 2.700 3.300 2.983 2.919 3.084 . 0 0 "[ . 1 . 2]" 3
26 2 8 TYR O 2 12 LEU H 2.000 . 2.300 2.124 2.038 2.244 . 0 0 "[ . 1 . 2]" 3
27 2 9 LEU O 2 13 ARG N 3.000 2.700 3.300 3.311 3.294 3.324 0.024 12 0 "[ . 1 . 2]" 3
28 2 9 LEU O 2 13 ARG H 2.000 . 2.300 2.351 2.329 2.367 0.067 5 0 "[ . 1 . 2]" 3
29 2 10 PRO O 2 14 LYS N 3.000 2.700 3.300 3.285 3.259 3.301 0.001 17 0 "[ . 1 . 2]" 3
30 2 10 PRO O 2 14 LYS H 2.000 . 2.300 2.349 2.321 2.363 0.063 17 0 "[ . 1 . 2]" 3
31 2 11 GLN O 2 15 ASP N 3.000 2.700 3.300 3.168 3.121 3.226 . 0 0 "[ . 1 . 2]" 3
32 2 11 GLN O 2 15 ASP H 2.000 . 2.300 2.395 2.336 2.462 0.162 14 0 "[ . 1 . 2]" 3
33 2 12 LEU O 2 16 ILE N 3.000 2.700 3.300 2.975 2.894 3.114 . 0 0 "[ . 1 . 2]" 3
34 2 12 LEU O 2 16 ILE H 2.000 . 2.300 2.050 1.960 2.215 . 0 0 "[ . 1 . 2]" 3
35 2 13 ARG O 2 17 LEU N 3.000 2.700 3.300 3.230 3.168 3.326 0.026 14 0 "[ . 1 . 2]" 3
36 2 13 ARG O 2 17 LEU H 2.000 . 2.300 2.369 2.335 2.419 0.119 14 0 "[ . 1 . 2]" 3
37 2 14 LYS O 2 18 GLU N 3.000 2.700 3.300 3.105 2.977 3.190 . 0 0 "[ . 1 . 2]" 3
38 2 14 LYS O 2 18 GLU H 2.000 . 2.300 2.179 2.033 2.276 . 0 0 "[ . 1 . 2]" 3
39 2 15 ASP O 2 19 VAL N 3.000 2.700 3.300 2.631 2.613 2.657 0.087 12 0 "[ . 1 . 2]" 3
40 2 15 ASP O 2 19 VAL H 2.000 . 2.300 1.694 1.680 1.705 0.020 11 0 "[ . 1 . 2]" 3
41 2 16 ILE O 2 20 ILE N 3.000 2.700 3.300 2.746 2.662 2.845 0.038 17 0 "[ . 1 . 2]" 3
42 2 16 ILE O 2 20 ILE H 2.000 . 2.300 1.771 1.691 1.870 0.009 10 0 "[ . 1 . 2]" 3
43 2 17 LEU O 2 21 CYS N 3.000 2.700 3.300 3.059 2.985 3.112 . 0 0 "[ . 1 . 2]" 3
44 2 17 LEU O 2 21 CYS H 2.000 . 2.300 2.344 2.310 2.373 0.073 15 0 "[ . 1 . 2]" 3
45 2 18 GLU O 2 22 LYS N 3.000 2.700 3.300 2.783 2.710 2.842 . 0 0 "[ . 1 . 2]" 3
46 2 18 GLU O 2 22 LYS H 2.000 . 2.300 1.872 1.796 1.933 . 0 0 "[ . 1 . 2]" 3
47 2 19 VAL O 2 23 TYR N 3.000 2.700 3.300 3.209 3.169 3.227 . 0 0 "[ . 1 . 2]" 3
48 2 19 VAL O 2 23 TYR H 2.000 . 2.300 2.307 2.255 2.345 0.045 9 0 "[ . 1 . 2]" 3
49 1 30 MET O 1 50 THR N 3.000 2.700 3.300 3.070 2.804 3.234 . 0 0 "[ . 1 . 2]" 3
50 1 30 MET O 1 50 THR H 2.000 . 2.300 2.181 1.904 2.314 0.014 8 0 "[ . 1 . 2]" 3
51 1 32 THR O 1 48 ASN N 3.000 2.700 3.300 2.714 2.678 2.833 0.022 1 0 "[ . 1 . 2]" 3
52 1 32 THR O 1 48 ASN H 2.000 . 2.300 2.013 1.914 2.168 . 0 0 "[ . 1 . 2]" 3
53 1 34 GLN O 1 46 GLU N 3.000 2.700 3.300 2.684 2.643 2.820 0.057 14 0 "[ . 1 . 2]" 3
54 1 34 GLN O 1 46 GLU H 2.000 . 2.300 1.806 1.735 1.901 . 0 0 "[ . 1 . 2]" 3
55 1 36 GLU O 1 44 ILE N 3.000 2.700 3.300 2.659 2.616 2.783 0.084 16 0 "[ . 1 . 2]" 3
56 1 36 GLU O 1 44 ILE H 2.000 . 2.300 1.856 1.753 2.272 . 0 0 "[ . 1 . 2]" 3
57 1 36 GLU N 1 44 ILE O 3.000 2.700 3.300 2.803 2.676 3.092 0.024 7 0 "[ . 1 . 2]" 3
58 1 36 GLU H 1 44 ILE O 2.000 . 2.300 1.963 1.717 2.307 0.007 11 0 "[ . 1 . 2]" 3
59 1 34 GLN N 1 46 GLU O 3.000 2.700 3.300 2.753 2.637 3.234 0.063 1 0 "[ . 1 . 2]" 3
60 1 34 GLN H 1 46 GLU O 2.000 . 2.300 1.792 1.670 2.311 0.030 4 0 "[ . 1 . 2]" 3
61 2 30 MET O 2 50 THR N 3.000 2.700 3.300 3.070 2.804 3.232 . 0 0 "[ . 1 . 2]" 3
62 2 30 MET O 2 50 THR H 2.000 . 2.300 2.181 1.904 2.314 0.014 8 0 "[ . 1 . 2]" 3
63 2 32 THR O 2 48 ASN N 3.000 2.700 3.300 2.714 2.678 2.833 0.022 1 0 "[ . 1 . 2]" 3
64 2 32 THR O 2 48 ASN H 2.000 . 2.300 2.013 1.913 2.168 . 0 0 "[ . 1 . 2]" 3
65 2 34 GLN O 2 46 GLU N 3.000 2.700 3.300 2.684 2.644 2.819 0.056 14 0 "[ . 1 . 2]" 3
66 2 34 GLN O 2 46 GLU H 2.000 . 2.300 1.806 1.735 1.900 . 0 0 "[ . 1 . 2]" 3
67 2 36 GLU O 2 44 ILE N 3.000 2.700 3.300 2.658 2.616 2.783 0.084 16 0 "[ . 1 . 2]" 3
68 2 36 GLU O 2 44 ILE H 2.000 . 2.300 1.854 1.750 2.270 . 0 0 "[ . 1 . 2]" 3
69 2 36 GLU N 2 44 ILE O 3.000 2.700 3.300 2.803 2.676 3.092 0.024 7 0 "[ . 1 . 2]" 3
70 2 36 GLU H 2 44 ILE O 2.000 . 2.300 1.963 1.716 2.308 0.008 11 0 "[ . 1 . 2]" 3
71 2 34 GLN N 2 46 GLU O 3.000 2.700 3.300 2.753 2.636 3.234 0.064 1 0 "[ . 1 . 2]" 3
72 2 34 GLN H 2 46 GLU O 2.000 . 2.300 1.792 1.670 2.311 0.030 4 0 "[ . 1 . 2]" 3
73 1 21 CYS O 1 24 VAL N 3.000 2.700 3.300 3.085 3.038 3.105 . 0 0 "[ . 1 . 2]" 3
74 1 21 CYS O 1 24 VAL H 2.000 . 2.300 2.405 2.393 2.413 0.113 6 0 "[ . 1 . 2]" 3
75 1 27 ASP O 1 30 MET N 3.000 2.700 3.300 3.212 3.188 3.223 . 0 0 "[ . 1 . 2]" 3
76 1 27 ASP O 1 30 MET H 2.000 . 2.300 2.329 2.309 2.336 0.036 20 0 "[ . 1 . 2]" 3
77 1 28 PRO O 1 31 VAL N 3.000 2.700 3.300 3.096 2.964 3.200 . 0 0 "[ . 1 . 2]" 3
78 1 28 PRO O 1 31 VAL H 2.000 . 2.300 2.271 2.016 2.326 0.026 11 0 "[ . 1 . 2]" 3
79 2 21 CYS O 2 24 VAL N 3.000 2.700 3.300 3.085 3.039 3.105 . 0 0 "[ . 1 . 2]" 3
80 2 21 CYS O 2 24 VAL H 2.000 . 2.300 2.405 2.392 2.412 0.112 6 0 "[ . 1 . 2]" 3
81 2 27 ASP O 2 30 MET N 3.000 2.700 3.300 3.213 3.187 3.223 . 0 0 "[ . 1 . 2]" 3
82 2 27 ASP O 2 30 MET H 2.000 . 2.300 2.329 2.308 2.337 0.037 20 0 "[ . 1 . 2]" 3
83 2 28 PRO O 2 31 VAL N 3.000 2.700 3.300 3.096 2.964 3.200 . 0 0 "[ . 1 . 2]" 3
84 2 28 PRO O 2 31 VAL H 2.000 . 2.300 2.271 2.017 2.326 0.026 11 0 "[ . 1 . 2]" 3
85 1 51 LEU N 2 43 SER O 3.000 2.700 3.300 2.889 2.726 3.041 . 0 0 "[ . 1 . 2]" 3
86 1 51 LEU H 2 43 SER O 2.000 . 2.300 2.216 1.956 2.334 0.034 13 0 "[ . 1 . 2]" 3
87 1 43 SER O 2 51 LEU N 3.000 2.700 3.300 2.888 2.725 3.040 . 0 0 "[ . 1 . 2]" 3
88 1 43 SER O 2 51 LEU H 2.000 . 2.300 2.216 1.957 2.336 0.036 13 0 "[ . 1 . 2]" 3
89 1 45 LEU N 2 49 VAL O 3.000 2.700 3.300 2.803 2.690 2.965 0.010 14 0 "[ . 1 . 2]" 3
90 1 45 LEU H 2 49 VAL O 2.000 . 2.300 2.045 1.834 2.333 0.033 16 0 "[ . 1 . 2]" 3
91 1 49 VAL O 2 45 LEU N 3.000 2.700 3.300 2.803 2.692 2.967 0.008 14 0 "[ . 1 . 2]" 3
92 1 49 VAL O 2 45 LEU H 2.000 . 2.300 2.045 1.835 2.330 0.030 16 0 "[ . 1 . 2]" 3
93 1 49 VAL N 2 45 LEU O 3.000 2.700 3.300 2.744 2.666 2.929 0.034 18 0 "[ . 1 . 2]" 3
94 1 49 VAL H 2 45 LEU O 2.000 . 2.300 2.105 1.926 2.309 0.009 2 0 "[ . 1 . 2]" 3
95 1 45 LEU O 2 49 VAL N 3.000 2.700 3.300 2.743 2.671 2.929 0.029 18 0 "[ . 1 . 2]" 3
96 1 45 LEU O 2 49 VAL H 2.000 . 2.300 2.104 1.924 2.309 0.009 2 0 "[ . 1 . 2]" 3
97 1 47 LEU N 2 47 LEU O 3.000 2.700 3.300 3.052 2.983 3.144 . 0 0 "[ . 1 . 2]" 3
98 1 47 LEU H 2 47 LEU O 2.000 . 2.300 2.165 2.050 2.344 0.044 5 0 "[ . 1 . 2]" 3
99 1 47 LEU O 2 47 LEU N 3.000 2.700 3.300 3.052 2.982 3.144 . 0 0 "[ . 1 . 2]" 3
100 1 47 LEU O 2 47 LEU H 2.000 . 2.300 2.165 2.049 2.346 0.046 8 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 7:36:49 PM GMT (wattos1)