NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439979 |
2k7l   |
15919 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k7l
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 1137
_Distance_constraint_stats_list.Viol_count 3003
_Distance_constraint_stats_list.Viol_total 3860.990
_Distance_constraint_stats_list.Viol_max 0.501
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0612
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 ASP 0.112 0.021 5 0 "[ . 1 . 2 ]"
1 4 ASP 2.565 0.147 6 0 "[ . 1 . 2 ]"
1 5 GLU 1.900 0.085 10 0 "[ . 1 . 2 ]"
1 6 ASP 1.868 0.090 19 0 "[ . 1 . 2 ]"
1 7 ASP 6.567 0.165 4 0 "[ . 1 . 2 ]"
1 8 HIS 6.353 0.190 19 0 "[ . 1 . 2 ]"
1 9 LEU 3.508 0.406 14 0 "[ . 1 . 2 ]"
1 10 ILE 1.594 0.080 18 0 "[ . 1 . 2 ]"
1 11 TYR 3.843 0.133 13 0 "[ . 1 . 2 ]"
1 12 LEU 6.169 0.174 8 0 "[ . 1 . 2 ]"
1 13 GLU 5.600 0.184 16 0 "[ . 1 . 2 ]"
1 14 GLU 4.199 0.133 10 0 "[ . 1 . 2 ]"
1 15 ILE 6.699 0.133 10 0 "[ . 1 . 2 ]"
1 16 LEU 9.977 0.193 12 0 "[ . 1 . 2 ]"
1 17 VAL 9.949 0.161 11 0 "[ . 1 . 2 ]"
1 18 ARG 5.248 0.193 12 0 "[ . 1 . 2 ]"
1 19 VAL 0.023 0.010 8 0 "[ . 1 . 2 ]"
2 1 ASP 0.782 0.060 7 0 "[ . 1 . 2 ]"
2 2 VAL 1.323 0.256 5 0 "[ . 1 . 2 ]"
2 3 GLN 2.737 0.256 5 0 "[ . 1 . 2 ]"
2 4 VAL 0.820 0.099 5 0 "[ . 1 . 2 ]"
2 5 THR 2.409 0.126 10 0 "[ . 1 . 2 ]"
2 6 GLU 4.539 0.138 2 0 "[ . 1 . 2 ]"
2 7 ASP 7.713 0.138 2 0 "[ . 1 . 2 ]"
2 8 ALA 3.975 0.084 8 0 "[ . 1 . 2 ]"
2 9 VAL 2.683 0.101 9 0 "[ . 1 . 2 ]"
2 10 ARG 2.433 0.101 9 0 "[ . 1 . 2 ]"
2 11 ARG 7.251 0.143 9 0 "[ . 1 . 2 ]"
2 12 TYR 4.516 0.276 16 0 "[ . 1 . 2 ]"
2 13 LEU 2.706 0.128 16 0 "[ . 1 . 2 ]"
2 14 THR 2.160 0.130 18 0 "[ . 1 . 2 ]"
2 15 ARG 4.635 0.091 12 0 "[ . 1 . 2 ]"
2 16 LYS 3.167 0.179 10 0 "[ . 1 . 2 ]"
2 17 PRO 3.587 0.129 16 0 "[ . 1 . 2 ]"
2 18 MET 2.456 0.213 4 0 "[ . 1 . 2 ]"
2 19 THR 1.926 0.105 16 0 "[ . 1 . 2 ]"
2 20 THR 7.907 0.406 14 0 "[ . 1 . 2 ]"
2 21 LYS 2.540 0.215 12 0 "[ . 1 . 2 ]"
2 22 ASP 0.489 0.058 15 0 "[ . 1 . 2 ]"
2 23 LEU 8.327 0.213 4 0 "[ . 1 . 2 ]"
2 24 LEU 8.322 0.168 5 0 "[ . 1 . 2 ]"
2 25 LYS 1.663 0.106 13 0 "[ . 1 . 2 ]"
2 26 LYS 2.621 0.122 7 0 "[ . 1 . 2 ]"
2 27 PHE 3.232 0.114 3 0 "[ . 1 . 2 ]"
2 28 GLN 2.466 0.122 7 0 "[ . 1 . 2 ]"
2 29 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 30 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 31 LYS 2.066 0.158 20 0 "[ . 1 . 2 ]"
2 32 THR 0.814 0.132 5 0 "[ . 1 . 2 ]"
2 33 GLY 1.359 0.071 10 0 "[ . 1 . 2 ]"
2 34 LEU 4.608 0.158 20 0 "[ . 1 . 2 ]"
2 35 SER 4.122 0.109 13 0 "[ . 1 . 2 ]"
2 36 SER 0.730 0.047 7 0 "[ . 1 . 2 ]"
2 37 GLU 4.860 0.127 19 0 "[ . 1 . 2 ]"
2 38 GLN 3.473 0.127 19 0 "[ . 1 . 2 ]"
2 39 THR 0.334 0.045 7 0 "[ . 1 . 2 ]"
2 40 VAL 1.706 0.099 13 0 "[ . 1 . 2 ]"
2 41 ASN 0.856 0.034 5 0 "[ . 1 . 2 ]"
2 42 VAL 0.796 0.064 9 0 "[ . 1 . 2 ]"
2 43 LEU 4.839 0.179 3 0 "[ . 1 . 2 ]"
2 44 ALA 1.032 0.083 6 0 "[ . 1 . 2 ]"
2 45 GLN 9.011 0.128 11 0 "[ . 1 . 2 ]"
2 46 ILE 4.716 0.113 20 0 "[ . 1 . 2 ]"
2 47 LEU 3.661 0.190 16 0 "[ . 1 . 2 ]"
2 48 LYS 1.518 0.093 5 0 "[ . 1 . 2 ]"
2 49 ARG 2.799 0.093 5 0 "[ . 1 . 2 ]"
2 50 LEU 5.132 0.501 12 1 "[ . 1 + . 2 ]"
2 51 ASN 7.506 0.125 16 0 "[ . 1 . 2 ]"
2 52 PRO 3.906 0.111 10 0 "[ . 1 . 2 ]"
2 53 GLU 3.241 0.118 17 0 "[ . 1 . 2 ]"
2 54 ARG 0.006 0.002 13 0 "[ . 1 . 2 ]"
2 55 LYS 0.085 0.024 2 0 "[ . 1 . 2 ]"
2 56 MET 0.328 0.033 17 0 "[ . 1 . 2 ]"
2 57 ILE 1.510 0.103 20 0 "[ . 1 . 2 ]"
2 58 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 59 ASP 0.311 0.033 17 0 "[ . 1 . 2 ]"
2 60 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 61 MET 0.017 0.009 15 0 "[ . 1 . 2 ]"
2 62 HIS 4.787 0.130 14 0 "[ . 1 . 2 ]"
2 63 PHE 2.211 0.176 2 0 "[ . 1 . 2 ]"
2 64 SER 3.258 0.129 16 0 "[ . 1 . 2 ]"
2 65 LEU 6.162 0.501 12 1 "[ . 1 + . 2 ]"
2 66 LYS 4.318 0.103 3 0 "[ . 1 . 2 ]"
2 67 GLU 8.266 0.445 4 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 GLU HA 1 1 GLU HB2 2.800 . 2.800 2.600 2.449 2.708 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 GLU HA 1 2 ASP H 5.000 . 5.000 2.845 2.151 3.572 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 GLU HB2 1 2 ASP H 5.000 . 5.000 3.932 3.250 4.614 . 0 0 "[ . 1 . 2 ]" 1
4 1 1 GLU HB3 1 2 ASP H 5.000 . 5.000 3.205 1.999 4.531 . 0 0 "[ . 1 . 2 ]" 1
5 1 2 ASP H 1 2 ASP HA 2.800 . 2.800 2.805 2.799 2.821 0.021 5 0 "[ . 1 . 2 ]" 1
6 1 2 ASP H 1 4 ASP H 6.000 . 6.000 5.674 4.879 6.002 0.002 2 0 "[ . 1 . 2 ]" 1
7 1 4 ASP H 1 4 ASP HA 2.800 . 2.800 2.888 2.868 2.893 0.093 21 0 "[ . 1 . 2 ]" 1
8 1 4 ASP H 1 4 ASP HB2 3.400 . 3.400 2.734 2.413 3.547 0.147 6 0 "[ . 1 . 2 ]" 1
9 1 4 ASP H 1 4 ASP HB3 2.800 . 2.800 2.713 2.516 2.821 0.021 17 0 "[ . 1 . 2 ]" 1
10 1 4 ASP H 1 5 GLU H 5.000 . 5.000 3.294 3.275 3.346 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 ASP HA 1 5 GLU H 2.800 . 2.800 2.680 2.673 2.694 . 0 0 "[ . 1 . 2 ]" 1
12 1 5 GLU H 1 5 GLU HA 2.800 . 2.800 2.882 2.878 2.885 0.085 10 0 "[ . 1 . 2 ]" 1
13 1 5 GLU H 1 5 GLU HB3 3.400 . 3.400 2.710 2.662 2.763 . 0 0 "[ . 1 . 2 ]" 1
14 1 5 GLU H 1 5 GLU HG2 5.000 . 5.000 2.426 1.963 3.352 . 0 0 "[ . 1 . 2 ]" 1
15 1 5 GLU H 1 5 GLU HG3 5.000 . 5.000 2.836 1.954 3.430 . 0 0 "[ . 1 . 2 ]" 1
16 1 5 GLU HA 1 5 GLU HB2 2.800 . 2.800 2.438 2.417 2.459 . 0 0 "[ . 1 . 2 ]" 1
17 1 5 GLU HA 1 6 ASP H 5.000 . 5.000 3.509 3.465 3.553 . 0 0 "[ . 1 . 2 ]" 1
18 1 5 GLU HA 1 7 ASP H 5.000 . 5.000 4.117 3.741 4.754 . 0 0 "[ . 1 . 2 ]" 1
19 1 5 GLU HA 1 8 HIS HD2 5.000 . 5.000 4.370 3.868 5.029 0.029 9 0 "[ . 1 . 2 ]" 1
20 1 5 GLU HB2 2 37 GLU HG3 5.000 . 5.000 4.629 3.514 5.005 0.005 18 0 "[ . 1 . 2 ]" 1
21 1 5 GLU HB3 2 37 GLU HG3 5.000 . 5.000 4.471 3.278 5.005 0.005 14 0 "[ . 1 . 2 ]" 1
22 1 6 ASP H 1 6 ASP HA 2.800 . 2.800 2.837 2.757 2.871 0.071 21 0 "[ . 1 . 2 ]" 1
23 1 6 ASP H 1 6 ASP QB 2.800 . 3.300 2.176 2.054 2.373 . 0 0 "[ . 1 . 2 ]" 1
24 1 6 ASP HA 1 7 ASP H 3.400 . 3.400 3.440 3.435 3.490 0.090 19 0 "[ . 1 . 2 ]" 1
25 1 6 ASP HA 1 9 LEU H 5.000 . 5.000 3.067 2.912 3.235 . 0 0 "[ . 1 . 2 ]" 1
26 1 6 ASP HA 1 9 LEU MD2 5.000 . 5.500 2.529 2.173 3.183 . 0 0 "[ . 1 . 2 ]" 1
27 1 6 ASP QB 1 8 HIS HD2 6.000 . 6.500 5.817 5.799 5.834 . 0 0 "[ . 1 . 2 ]" 1
28 1 7 ASP H 1 7 ASP HA 2.800 . 2.800 2.748 2.737 2.777 . 0 0 "[ . 1 . 2 ]" 1
29 1 7 ASP H 1 7 ASP HB3 2.800 . 2.800 2.773 2.397 2.830 0.030 18 0 "[ . 1 . 2 ]" 1
30 1 7 ASP HA 1 7 ASP HB3 2.800 . 2.800 2.861 2.327 2.965 0.165 4 0 "[ . 1 . 2 ]" 1
31 1 7 ASP HA 1 8 HIS H 3.400 . 3.400 3.520 3.505 3.533 0.133 17 0 "[ . 1 . 2 ]" 1
32 1 7 ASP HA 1 9 LEU H 5.000 . 5.000 4.238 4.125 4.291 . 0 0 "[ . 1 . 2 ]" 1
33 1 8 HIS H 1 8 HIS HB2 3.400 . 3.400 3.543 3.519 3.590 0.190 19 0 "[ . 1 . 2 ]" 1
34 1 8 HIS H 1 8 HIS HD2 5.000 . 5.000 3.214 2.972 3.564 . 0 0 "[ . 1 . 2 ]" 1
35 1 8 HIS H 1 9 LEU H 5.000 . 5.000 2.405 2.369 2.449 . 0 0 "[ . 1 . 2 ]" 1
36 1 8 HIS HA 1 8 HIS HD2 5.000 . 5.000 4.237 4.076 4.374 . 0 0 "[ . 1 . 2 ]" 1
37 1 8 HIS HA 1 9 LEU H 3.400 . 3.400 3.432 3.414 3.447 0.047 10 0 "[ . 1 . 2 ]" 1
38 1 8 HIS HA 1 10 ILE H 5.000 . 5.000 3.854 3.544 4.264 . 0 0 "[ . 1 . 2 ]" 1
39 1 8 HIS HA 1 11 TYR H 5.000 . 5.000 2.977 2.736 3.215 . 0 0 "[ . 1 . 2 ]" 1
40 1 8 HIS HA 1 11 TYR HB2 5.000 . 5.000 3.892 3.359 4.889 . 0 0 "[ . 1 . 2 ]" 1
41 1 8 HIS HA 1 11 TYR HB3 5.000 . 5.000 2.416 1.944 3.621 . 0 0 "[ . 1 . 2 ]" 1
42 1 8 HIS HA 1 11 TYR QD 5.000 . 6.000 2.878 1.926 4.005 . 0 0 "[ . 1 . 2 ]" 1
43 1 8 HIS HB2 1 8 HIS HD2 3.400 . 3.400 3.178 3.066 3.409 0.009 19 0 "[ . 1 . 2 ]" 1
44 1 8 HIS HB2 1 9 LEU H 5.000 . 5.000 3.871 3.765 4.087 . 0 0 "[ . 1 . 2 ]" 1
45 1 8 HIS HB2 2 40 VAL MG1 6.000 . 6.500 3.888 3.392 4.764 . 0 0 "[ . 1 . 2 ]" 1
46 1 8 HIS HB3 1 9 LEU H 5.000 . 5.000 4.238 4.133 4.313 . 0 0 "[ . 1 . 2 ]" 1
47 1 8 HIS HD2 1 9 LEU QB 5.000 . 5.500 2.819 2.606 3.007 . 0 0 "[ . 1 . 2 ]" 1
48 1 8 HIS HD2 1 12 LEU MD1 5.000 . 5.000 4.177 4.165 4.185 . 0 0 "[ . 1 . 2 ]" 1
49 1 9 LEU H 1 9 LEU QB 3.400 . 3.900 2.218 2.169 2.254 . 0 0 "[ . 1 . 2 ]" 1
50 1 9 LEU H 1 9 LEU MD1 5.000 . 5.500 4.111 4.021 4.185 . 0 0 "[ . 1 . 2 ]" 1
51 1 9 LEU H 1 9 LEU MD2 5.000 . 5.500 4.165 4.085 4.219 . 0 0 "[ . 1 . 2 ]" 1
52 1 9 LEU H 1 9 LEU HG 5.000 . 5.000 4.396 4.324 4.459 . 0 0 "[ . 1 . 2 ]" 1
53 1 9 LEU H 1 10 ILE H 3.400 . 3.400 2.736 2.590 2.842 . 0 0 "[ . 1 . 2 ]" 1
54 1 9 LEU HA 1 9 LEU HG 3.400 . 3.400 3.147 3.052 3.240 . 0 0 "[ . 1 . 2 ]" 1
55 1 9 LEU HA 1 10 ILE H 5.000 . 5.000 3.504 3.480 3.553 . 0 0 "[ . 1 . 2 ]" 1
56 1 9 LEU HA 1 11 TYR H 5.000 . 5.000 4.436 4.304 4.609 . 0 0 "[ . 1 . 2 ]" 1
57 1 9 LEU HA 1 12 LEU H 5.000 . 5.000 4.022 3.894 4.175 . 0 0 "[ . 1 . 2 ]" 1
58 1 9 LEU HA 1 12 LEU QB 5.000 . 5.500 4.167 4.037 4.531 . 0 0 "[ . 1 . 2 ]" 1
59 1 9 LEU HA 1 13 GLU H 5.000 . 5.000 4.848 4.599 5.017 0.017 15 0 "[ . 1 . 2 ]" 1
60 1 9 LEU QB 2 40 VAL MG1 6.000 . 7.000 3.452 3.187 3.691 . 0 0 "[ . 1 . 2 ]" 1
61 1 9 LEU QB 2 40 VAL MG2 5.000 . 6.000 3.318 2.953 3.603 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 LEU MD1 2 20 THR HA 5.000 . 5.500 4.595 4.384 4.619 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 LEU MD1 2 21 LYS QD 6.000 . 7.000 3.785 2.621 4.382 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 LEU MD1 2 21 LYS QE 6.000 . 7.000 3.374 2.011 4.418 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 LEU MD1 2 40 VAL MG1 5.000 . 6.000 2.486 2.132 2.647 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 LEU MD1 2 40 VAL MG2 5.000 . 6.000 2.740 2.453 2.913 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 LEU MD2 1 10 ILE HA 5.000 . 5.500 4.607 4.586 4.641 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 LEU MD2 2 21 LYS QD 5.000 . 6.000 3.456 2.998 3.812 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 LEU MD2 2 21 LYS QE 5.000 . 6.000 3.419 2.078 3.992 . 0 0 "[ . 1 . 2 ]" 1
70 1 9 LEU MD2 2 25 LYS QG 5.000 . 6.000 4.073 3.229 4.454 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 LEU MD2 2 40 VAL MG1 6.000 . 7.000 4.697 4.502 4.808 . 0 0 "[ . 1 . 2 ]" 1
72 1 9 LEU MD2 2 40 VAL MG2 6.000 . 7.000 4.465 4.066 4.736 . 0 0 "[ . 1 . 2 ]" 1
73 1 9 LEU HG 2 20 THR MG 5.000 . 5.500 5.550 4.886 5.906 0.406 14 0 "[ . 1 . 2 ]" 1
74 1 9 LEU HG 2 40 VAL MG1 5.000 . 5.500 4.552 4.361 4.594 . 0 0 "[ . 1 . 2 ]" 1
75 1 9 LEU HG 2 40 VAL MG2 6.000 . 6.500 5.167 4.832 5.416 . 0 0 "[ . 1 . 2 ]" 1
76 1 10 ILE H 1 10 ILE HA 2.800 . 2.800 2.876 2.870 2.880 0.080 18 0 "[ . 1 . 2 ]" 1
77 1 10 ILE H 1 10 ILE MD 5.000 . 5.500 3.775 3.679 3.887 . 0 0 "[ . 1 . 2 ]" 1
78 1 10 ILE H 1 10 ILE HG12 5.000 . 5.000 3.685 3.593 3.785 . 0 0 "[ . 1 . 2 ]" 1
79 1 10 ILE H 1 10 ILE HG13 5.000 . 5.000 2.488 2.374 2.626 . 0 0 "[ . 1 . 2 ]" 1
80 1 10 ILE HA 1 11 TYR H 5.000 . 5.000 3.498 3.477 3.555 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 ILE HA 1 13 GLU H 5.000 . 5.000 3.375 3.194 3.635 . 0 0 "[ . 1 . 2 ]" 1
82 1 10 ILE HA 1 13 GLU HB3 5.000 . 5.000 2.535 1.978 3.449 . 0 0 "[ . 1 . 2 ]" 1
83 1 10 ILE HB 1 10 ILE MD 2.800 . 3.300 2.398 2.324 2.485 . 0 0 "[ . 1 . 2 ]" 1
84 1 10 ILE HB 1 11 TYR HA 5.000 . 5.000 4.411 4.338 4.502 . 0 0 "[ . 1 . 2 ]" 1
85 1 10 ILE MD 1 11 TYR H 6.000 . 6.500 4.875 4.799 4.948 . 0 0 "[ . 1 . 2 ]" 1
86 1 10 ILE HG12 1 12 LEU MD1 6.000 . 6.500 5.396 5.262 5.421 . 0 0 "[ . 1 . 2 ]" 1
87 1 10 ILE HG12 2 21 LYS QD 5.000 . 5.500 4.733 3.856 4.857 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 ILE HG12 2 21 LYS QE 5.000 . 5.500 3.489 2.550 3.940 . 0 0 "[ . 1 . 2 ]" 1
89 1 10 ILE HG13 2 21 LYS QD 6.000 . 6.500 5.565 4.456 5.727 . 0 0 "[ . 1 . 2 ]" 1
90 1 10 ILE HG13 2 21 LYS QE 5.000 . 5.500 4.442 3.573 4.840 . 0 0 "[ . 1 . 2 ]" 1
91 1 11 TYR H 1 11 TYR HB3 3.400 . 3.400 2.178 2.077 2.483 . 0 0 "[ . 1 . 2 ]" 1
92 1 11 TYR H 1 11 TYR QD 5.000 . 6.000 3.375 3.216 3.686 . 0 0 "[ . 1 . 2 ]" 1
93 1 11 TYR HA 1 11 TYR QE 6.000 . 7.000 5.358 5.168 5.610 . 0 0 "[ . 1 . 2 ]" 1
94 1 11 TYR HA 1 12 LEU H 3.400 . 3.400 3.508 3.490 3.533 0.133 13 0 "[ . 1 . 2 ]" 1
95 1 11 TYR HA 1 12 LEU MD1 6.000 2.800 6.500 4.768 4.633 4.921 . 0 0 "[ . 1 . 2 ]" 1
96 1 11 TYR HA 1 13 GLU H 5.000 . 5.000 3.875 3.691 4.030 . 0 0 "[ . 1 . 2 ]" 1
97 1 11 TYR HA 1 13 GLU HB3 5.000 . 5.000 4.897 4.481 5.036 0.036 14 0 "[ . 1 . 2 ]" 1
98 1 11 TYR HA 1 14 GLU H 5.000 . 5.000 3.756 3.517 3.942 . 0 0 "[ . 1 . 2 ]" 1
99 1 11 TYR HA 1 15 ILE H 5.000 . 5.000 5.062 5.039 5.121 0.121 15 0 "[ . 1 . 2 ]" 1
100 1 11 TYR HB2 1 12 LEU H 5.000 . 5.000 4.097 3.933 4.196 . 0 0 "[ . 1 . 2 ]" 1
101 1 11 TYR HB3 1 12 LEU H 5.000 . 5.000 3.275 2.834 3.872 . 0 0 "[ . 1 . 2 ]" 1
102 1 11 TYR QD 1 12 LEU H 5.000 . 6.000 2.123 1.907 2.694 . 0 0 "[ . 1 . 2 ]" 1
103 1 11 TYR QD 1 12 LEU HA 5.000 . 6.000 3.036 2.270 3.362 . 0 0 "[ . 1 . 2 ]" 1
104 1 11 TYR QD 1 12 LEU QB 5.000 . 6.500 2.464 2.171 3.104 . 0 0 "[ . 1 . 2 ]" 1
105 1 11 TYR QD 1 12 LEU MD1 6.000 . 7.500 3.493 3.094 4.079 . 0 0 "[ . 1 . 2 ]" 1
106 1 11 TYR QD 1 12 LEU MD2 6.000 2.800 7.500 4.857 4.763 4.933 . 0 0 "[ . 1 . 2 ]" 1
107 1 11 TYR QD 1 15 ILE MD 6.000 . 7.500 5.066 4.651 5.269 . 0 0 "[ . 1 . 2 ]" 1
108 1 11 TYR QD 1 15 ILE MG 6.000 . 7.500 4.138 3.444 4.433 . 0 0 "[ . 1 . 2 ]" 1
109 1 11 TYR QE 1 12 LEU MD1 5.000 . 6.500 4.534 4.421 4.577 . 0 0 "[ . 1 . 2 ]" 1
110 1 11 TYR QE 1 12 LEU MD2 6.000 . 7.500 4.936 4.783 5.168 . 0 0 "[ . 1 . 2 ]" 1
111 1 11 TYR QE 1 15 ILE MD 5.000 . 6.500 4.466 4.210 4.580 . 0 0 "[ . 1 . 2 ]" 1
112 1 11 TYR QE 1 15 ILE MG 5.000 . 6.500 3.819 3.463 4.231 . 0 0 "[ . 1 . 2 ]" 1
113 1 12 LEU H 1 12 LEU QB 2.800 . 3.300 2.274 2.234 2.331 . 0 0 "[ . 1 . 2 ]" 1
114 1 12 LEU H 1 12 LEU MD1 5.000 . 5.500 1.958 1.890 2.012 . 0 0 "[ . 1 . 2 ]" 1
115 1 12 LEU H 1 12 LEU HG 5.000 . 5.000 3.986 3.888 4.020 . 0 0 "[ . 1 . 2 ]" 1
116 1 12 LEU H 1 13 GLU H 3.400 . 3.400 2.454 2.355 2.596 . 0 0 "[ . 1 . 2 ]" 1
117 1 12 LEU HA 1 13 GLU H 3.400 . 3.400 3.393 3.381 3.415 0.015 20 0 "[ . 1 . 2 ]" 1
118 1 12 LEU HA 1 14 GLU H 5.000 . 5.000 3.779 3.719 3.910 . 0 0 "[ . 1 . 2 ]" 1
119 1 12 LEU QB 1 12 LEU MD1 2.800 . 3.800 2.291 2.231 2.382 . 0 0 "[ . 1 . 2 ]" 1
120 1 12 LEU QB 1 13 GLU H 5.000 . 5.500 3.646 3.598 3.704 . 0 0 "[ . 1 . 2 ]" 1
121 1 12 LEU QB 1 13 GLU HA 6.000 . 6.500 4.758 4.679 4.790 . 0 0 "[ . 1 . 2 ]" 1
122 1 12 LEU QB 1 15 ILE H 6.000 . 6.500 4.771 4.680 4.894 . 0 0 "[ . 1 . 2 ]" 1
123 1 12 LEU QB 2 20 THR MG 6.000 . 7.000 4.283 3.992 4.569 . 0 0 "[ . 1 . 2 ]" 1
124 1 12 LEU QB 2 40 VAL MG2 6.000 . 7.000 5.088 4.863 5.204 . 0 0 "[ . 1 . 2 ]" 1
125 1 12 LEU MD1 1 13 GLU H 6.000 . 6.500 2.098 1.930 2.194 . 0 0 "[ . 1 . 2 ]" 1
126 1 12 LEU MD1 1 13 GLU HA 5.000 . 5.500 2.800 2.554 3.130 . 0 0 "[ . 1 . 2 ]" 1
127 1 12 LEU MD1 2 20 THR HB 6.000 . 6.500 2.541 2.029 3.003 . 0 0 "[ . 1 . 2 ]" 1
128 1 12 LEU MD1 2 20 THR MG 5.000 . 6.000 2.699 2.103 3.273 . 0 0 "[ . 1 . 2 ]" 1
129 1 12 LEU MD1 2 40 VAL HA 5.000 . 5.500 4.593 4.527 4.607 . 0 0 "[ . 1 . 2 ]" 1
130 1 12 LEU MD1 2 40 VAL HB 5.000 . 5.500 4.484 4.277 4.600 . 0 0 "[ . 1 . 2 ]" 1
131 1 12 LEU MD1 2 44 ALA HA 6.000 . 6.500 4.523 4.339 4.799 . 0 0 "[ . 1 . 2 ]" 1
132 1 12 LEU MD1 2 44 ALA MB 5.000 . 6.000 3.600 3.392 3.813 . 0 0 "[ . 1 . 2 ]" 1
133 1 12 LEU MD1 2 47 LEU HG 6.000 . 6.500 5.073 4.730 5.426 . 0 0 "[ . 1 . 2 ]" 1
134 1 12 LEU MD2 1 13 GLU H 5.000 . 5.500 3.208 2.925 3.394 . 0 0 "[ . 1 . 2 ]" 1
135 1 12 LEU MD2 1 13 GLU HA 5.000 . 5.500 2.363 2.210 2.515 . 0 0 "[ . 1 . 2 ]" 1
136 1 12 LEU MD2 1 15 ILE HB 6.000 2.800 6.500 5.149 5.032 5.418 . 0 0 "[ . 1 . 2 ]" 1
137 1 12 LEU MD2 2 20 THR MG 5.000 . 6.000 1.703 1.626 1.778 0.174 8 0 "[ . 1 . 2 ]" 1
138 1 12 LEU MD2 2 44 ALA HA 5.000 . 5.500 2.021 1.821 2.429 . 0 0 "[ . 1 . 2 ]" 1
139 1 12 LEU MD2 2 44 ALA MB 6.000 . 7.000 2.066 1.754 2.596 0.046 20 0 "[ . 1 . 2 ]" 1
140 1 12 LEU MD2 2 47 LEU MD1 6.000 . 7.000 4.302 4.121 4.602 . 0 0 "[ . 1 . 2 ]" 1
141 1 12 LEU MD2 2 47 LEU HG 5.000 . 5.500 3.210 2.953 3.620 . 0 0 "[ . 1 . 2 ]" 1
142 1 12 LEU HG 1 13 GLU H 5.000 . 5.000 4.551 4.470 4.596 . 0 0 "[ . 1 . 2 ]" 1
143 1 12 LEU HG 1 13 GLU HA 5.000 . 5.000 5.082 5.052 5.106 0.106 6 0 "[ . 1 . 2 ]" 1
144 1 12 LEU HG 2 20 THR MG 6.000 . 6.500 3.690 2.893 4.276 . 0 0 "[ . 1 . 2 ]" 1
145 1 12 LEU HG 2 40 VAL MG2 6.000 . 6.500 4.368 4.215 4.557 . 0 0 "[ . 1 . 2 ]" 1
146 1 13 GLU H 1 13 GLU HB3 2.800 . 2.800 2.282 2.056 2.650 . 0 0 "[ . 1 . 2 ]" 1
147 1 13 GLU H 1 13 GLU HG2 5.000 . 5.000 3.700 2.916 4.585 . 0 0 "[ . 1 . 2 ]" 1
148 1 13 GLU H 1 13 GLU HG3 5.000 . 5.000 4.297 4.127 4.513 . 0 0 "[ . 1 . 2 ]" 1
149 1 13 GLU H 1 14 GLU H 3.400 . 3.400 2.603 2.543 2.640 . 0 0 "[ . 1 . 2 ]" 1
150 1 13 GLU HA 1 13 GLU HB3 2.800 . 2.800 2.835 2.657 2.984 0.184 16 0 "[ . 1 . 2 ]" 1
151 1 13 GLU HA 1 14 GLU H 3.400 . 3.400 3.473 3.462 3.487 0.087 19 0 "[ . 1 . 2 ]" 1
152 1 13 GLU HA 1 14 GLU HG3 6.000 . 6.000 5.831 5.626 5.976 . 0 0 "[ . 1 . 2 ]" 1
153 1 13 GLU HA 1 15 ILE H 5.000 . 5.000 4.758 4.460 4.882 . 0 0 "[ . 1 . 2 ]" 1
154 1 13 GLU HA 1 15 ILE MD 6.000 2.800 6.500 4.526 4.154 5.312 . 0 0 "[ . 1 . 2 ]" 1
155 1 13 GLU HA 1 16 LEU H 5.000 . 5.000 3.955 3.638 4.100 . 0 0 "[ . 1 . 2 ]" 1
156 1 13 GLU HA 1 17 VAL H 5.000 . 5.000 4.788 4.321 5.052 0.052 6 0 "[ . 1 . 2 ]" 1
157 1 13 GLU HA 1 18 ARG HG3 5.000 . 5.500 5.392 4.688 5.511 0.011 18 0 "[ . 1 . 2 ]" 1
158 1 13 GLU HA 2 20 THR MG 5.000 . 5.500 2.079 1.710 2.803 0.090 12 0 "[ . 1 . 2 ]" 1
159 1 13 GLU QB 2 20 THR MG 5.000 . 6.000 3.311 2.672 3.716 . 0 0 "[ . 1 . 2 ]" 1
160 1 13 GLU HG2 1 14 GLU HA 5.000 . 5.000 3.671 3.278 4.365 . 0 0 "[ . 1 . 2 ]" 1
161 1 13 GLU HG2 2 20 THR MG 6.000 . 6.500 4.990 4.170 5.825 . 0 0 "[ . 1 . 2 ]" 1
162 1 13 GLU HG3 1 14 GLU HA 5.000 . 5.000 4.132 3.340 5.014 0.014 15 0 "[ . 1 . 2 ]" 1
163 1 14 GLU H 1 14 GLU HB3 3.400 . 3.400 2.667 2.328 2.846 . 0 0 "[ . 1 . 2 ]" 1
164 1 14 GLU H 1 14 GLU HG2 5.000 . 5.000 2.645 1.979 3.670 . 0 0 "[ . 1 . 2 ]" 1
165 1 14 GLU H 1 14 GLU HG3 5.000 . 5.000 2.651 2.511 2.751 . 0 0 "[ . 1 . 2 ]" 1
166 1 14 GLU H 1 15 ILE H 3.400 . 3.400 2.551 2.478 2.612 . 0 0 "[ . 1 . 2 ]" 1
167 1 14 GLU HA 1 14 GLU HB3 2.800 . 2.800 2.443 2.345 2.607 . 0 0 "[ . 1 . 2 ]" 1
168 1 14 GLU HA 1 15 ILE H 3.400 . 3.400 3.524 3.502 3.533 0.133 10 0 "[ . 1 . 2 ]" 1
169 1 14 GLU HA 1 16 LEU H 4.000 . 4.000 3.792 3.729 3.861 . 0 0 "[ . 1 . 2 ]" 1
170 1 14 GLU HB3 1 15 ILE H 5.000 . 5.000 3.859 3.598 3.998 . 0 0 "[ . 1 . 2 ]" 1
171 1 15 ILE H 1 15 ILE MD 5.000 . 5.500 3.587 3.405 3.971 . 0 0 "[ . 1 . 2 ]" 1
172 1 15 ILE H 1 15 ILE HG12 5.000 . 5.000 2.994 2.418 3.216 . 0 0 "[ . 1 . 2 ]" 1
173 1 15 ILE H 1 15 ILE HG13 5.000 . 5.000 2.062 1.814 2.834 . 0 0 "[ . 1 . 2 ]" 1
174 1 15 ILE H 1 16 LEU H 3.400 . 3.400 2.707 2.612 2.762 . 0 0 "[ . 1 . 2 ]" 1
175 1 15 ILE HA 1 16 LEU H 3.400 . 3.400 3.425 3.417 3.431 0.031 17 0 "[ . 1 . 2 ]" 1
176 1 15 ILE HA 1 17 VAL H 5.000 . 5.500 5.568 5.538 5.602 0.102 4 0 "[ . 1 . 2 ]" 1
177 1 15 ILE HA 1 18 ARG H 5.000 . 5.500 4.741 4.413 4.849 . 0 0 "[ . 1 . 2 ]" 1
178 1 15 ILE HA 2 48 LYS QE 5.000 . 5.500 4.451 4.315 4.626 . 0 0 "[ . 1 . 2 ]" 1
179 1 15 ILE HB 1 15 ILE MD 2.800 . 2.800 2.187 1.988 2.278 . 0 0 "[ . 1 . 2 ]" 1
180 1 15 ILE HB 1 16 LEU H 5.000 . 5.000 3.806 3.744 3.929 . 0 0 "[ . 1 . 2 ]" 1
181 1 15 ILE HB 2 44 ALA MB 5.000 . 5.500 4.407 4.277 4.640 . 0 0 "[ . 1 . 2 ]" 1
182 1 15 ILE HB 2 48 LYS QE 3.400 . 3.900 2.988 2.837 3.146 . 0 0 "[ . 1 . 2 ]" 1
183 1 15 ILE MD 1 16 LEU H 5.000 . 5.500 2.841 2.430 3.785 . 0 0 "[ . 1 . 2 ]" 1
184 1 15 ILE MD 2 44 ALA MB 5.000 . 6.000 1.761 1.717 1.806 0.083 6 0 "[ . 1 . 2 ]" 1
185 1 15 ILE MD 2 48 LYS HA 6.000 . 6.500 5.358 5.045 5.892 . 0 0 "[ . 1 . 2 ]" 1
186 1 15 ILE MD 2 48 LYS QB 6.000 . 7.000 3.635 3.316 4.745 . 0 0 "[ . 1 . 2 ]" 1
187 1 15 ILE HG12 1 16 LEU H 5.000 . 5.000 3.954 3.326 4.163 . 0 0 "[ . 1 . 2 ]" 1
188 1 15 ILE HG12 2 48 LYS QE 5.000 . 5.500 4.346 4.049 4.542 . 0 0 "[ . 1 . 2 ]" 1
189 1 15 ILE HG13 2 44 ALA MB 5.000 . 5.500 3.533 3.167 3.672 . 0 0 "[ . 1 . 2 ]" 1
190 1 15 ILE HG13 2 48 LYS QE 5.000 . 5.500 3.995 2.868 4.454 . 0 0 "[ . 1 . 2 ]" 1
191 1 15 ILE MG 1 16 LEU HA 6.000 . 6.500 5.432 5.421 5.437 . 0 0 "[ . 1 . 2 ]" 1
192 1 15 ILE MG 2 44 ALA MB 5.000 . 6.000 4.177 4.091 4.205 . 0 0 "[ . 1 . 2 ]" 1
193 1 16 LEU H 1 16 LEU HB3 2.800 . 2.800 2.215 2.169 2.259 . 0 0 "[ . 1 . 2 ]" 1
194 1 16 LEU H 1 16 LEU MD1 5.000 . 5.500 4.186 4.097 4.234 . 0 0 "[ . 1 . 2 ]" 1
195 1 16 LEU H 1 16 LEU MD2 5.000 . 5.500 4.152 4.062 4.202 . 0 0 "[ . 1 . 2 ]" 1
196 1 16 LEU H 1 16 LEU HG 5.000 . 5.000 4.223 4.184 4.289 . 0 0 "[ . 1 . 2 ]" 1
197 1 16 LEU HA 1 17 VAL H 3.400 . 3.400 3.457 3.447 3.461 0.061 5 0 "[ . 1 . 2 ]" 1
198 1 16 LEU HA 1 17 VAL HB 6.000 . 6.000 6.098 6.086 6.128 0.128 14 0 "[ . 1 . 2 ]" 1
199 1 16 LEU HA 1 17 VAL MG1 6.000 . 6.500 3.605 3.585 3.667 . 0 0 "[ . 1 . 2 ]" 1
200 1 16 LEU HA 1 17 VAL MG2 5.000 . 5.500 4.631 4.618 4.640 . 0 0 "[ . 1 . 2 ]" 1
201 1 16 LEU QB 2 48 LYS QE 3.400 . 4.400 3.464 3.359 3.508 . 0 0 "[ . 1 . 2 ]" 1
202 1 16 LEU HB3 1 17 VAL H 5.000 . 5.000 1.980 1.936 2.021 . 0 0 "[ . 1 . 2 ]" 1
203 1 16 LEU HB3 1 17 VAL HA 5.000 . 5.000 4.725 4.682 4.759 . 0 0 "[ . 1 . 2 ]" 1
204 1 16 LEU HB3 1 18 ARG HA 6.000 . 6.000 6.147 6.110 6.193 0.193 12 0 "[ . 1 . 2 ]" 1
205 1 16 LEU MD1 1 17 VAL HA 5.000 . 5.500 4.150 3.924 4.428 . 0 0 "[ . 1 . 2 ]" 1
206 1 16 LEU MD1 2 48 LYS QE 6.000 . 7.000 3.437 3.204 3.702 . 0 0 "[ . 1 . 2 ]" 1
207 1 16 LEU MD2 1 17 VAL HA 6.000 2.800 6.500 4.915 4.805 4.990 . 0 0 "[ . 1 . 2 ]" 1
208 1 16 LEU MD2 1 18 ARG HG3 5.000 . 5.500 4.182 3.707 4.404 . 0 0 "[ . 1 . 2 ]" 1
209 1 16 LEU MD2 2 48 LYS QB 6.000 . 7.000 4.880 4.700 5.059 . 0 0 "[ . 1 . 2 ]" 1
210 1 16 LEU MD2 2 48 LYS QE 6.000 . 7.000 5.098 4.988 5.203 . 0 0 "[ . 1 . 2 ]" 1
211 1 16 LEU HG 1 17 VAL H 5.000 . 5.000 1.979 1.939 2.027 . 0 0 "[ . 1 . 2 ]" 1
212 1 16 LEU HG 1 17 VAL HA 3.400 . 3.400 3.547 3.519 3.561 0.161 11 0 "[ . 1 . 2 ]" 1
213 1 16 LEU HG 2 18 MET ME 6.000 . 6.500 5.369 5.185 5.457 . 0 0 "[ . 1 . 2 ]" 1
214 1 16 LEU HG 2 48 LYS QE 6.000 . 6.500 5.402 5.213 5.648 . 0 0 "[ . 1 . 2 ]" 1
215 1 17 VAL H 1 17 VAL MG2 2.800 . 3.300 2.067 1.951 2.125 . 0 0 "[ . 1 . 2 ]" 1
216 1 17 VAL HA 1 18 ARG H 2.800 . 2.800 2.887 2.814 2.904 0.104 3 0 "[ . 1 . 2 ]" 1
217 1 17 VAL HA 1 18 ARG HG3 5.000 . 5.000 4.959 4.588 5.023 0.023 4 0 "[ . 1 . 2 ]" 1
218 1 17 VAL HA 1 19 VAL H 6.000 . 6.000 3.970 3.706 5.294 . 0 0 "[ . 1 . 2 ]" 1
219 1 17 VAL HA 1 19 VAL MG1 5.000 . 5.500 4.020 3.772 4.569 . 0 0 "[ . 1 . 2 ]" 1
220 1 17 VAL MG1 1 18 ARG H 5.000 . 5.500 4.280 4.261 4.309 . 0 0 "[ . 1 . 2 ]" 1
221 1 17 VAL MG1 2 18 MET ME 6.000 . 7.000 4.888 4.876 4.911 . 0 0 "[ . 1 . 2 ]" 1
222 1 17 VAL MG2 1 18 ARG H 5.000 . 5.500 3.497 3.451 3.685 . 0 0 "[ . 1 . 2 ]" 1
223 1 17 VAL MG2 2 18 MET ME 6.000 . 7.000 4.489 4.359 4.788 . 0 0 "[ . 1 . 2 ]" 1
224 1 18 ARG H 1 18 ARG HG3 5.000 . 5.000 3.502 2.577 3.695 . 0 0 "[ . 1 . 2 ]" 1
225 1 18 ARG H 1 19 VAL H 5.000 . 5.000 2.744 2.456 3.996 . 0 0 "[ . 1 . 2 ]" 1
226 1 18 ARG HA 1 19 VAL H 2.800 . 2.800 2.692 2.153 2.810 0.010 8 0 "[ . 1 . 2 ]" 1
227 1 19 VAL H 1 19 VAL MG1 2.800 . 3.300 2.261 1.984 2.740 . 0 0 "[ . 1 . 2 ]" 1
228 1 19 VAL HA 1 19 VAL MG1 3.400 . 3.900 2.726 2.155 3.207 . 0 0 "[ . 1 . 2 ]" 1
229 2 1 ASP HA 2 1 ASP HB2 2.800 . 2.800 2.645 2.464 2.860 0.060 7 0 "[ . 1 . 2 ]" 1
230 2 1 ASP HA 2 1 ASP HB3 2.800 . 2.800 2.604 2.394 2.845 0.045 18 0 "[ . 1 . 2 ]" 1
231 2 1 ASP HA 2 2 VAL H 2.800 . 2.800 2.411 2.147 2.802 0.002 10 0 "[ . 1 . 2 ]" 1
232 2 1 ASP HB2 2 2 VAL H 5.000 . 5.000 3.960 2.536 4.664 . 0 0 "[ . 1 . 2 ]" 1
233 2 1 ASP HB3 2 2 VAL H 5.000 . 5.000 3.957 2.094 4.634 . 0 0 "[ . 1 . 2 ]" 1
234 2 2 VAL H 2 2 VAL HA 2.800 . 2.800 2.795 2.273 2.873 0.073 19 0 "[ . 1 . 2 ]" 1
235 2 2 VAL H 2 2 VAL QG 2.800 . 3.300 2.215 1.896 2.456 . 0 0 "[ . 1 . 2 ]" 1
236 2 2 VAL H 2 3 GLN H 5.000 . 5.000 4.459 4.202 4.642 . 0 0 "[ . 1 . 2 ]" 1
237 2 2 VAL H 2 31 LYS QB 6.000 . 6.500 3.124 1.987 4.919 . 0 0 "[ . 1 . 2 ]" 1
238 2 2 VAL HA 2 2 VAL QG 2.800 . 3.300 2.221 2.044 2.343 . 0 0 "[ . 1 . 2 ]" 1
239 2 2 VAL HA 2 3 GLN H 3.400 . 3.400 2.419 2.137 2.960 . 0 0 "[ . 1 . 2 ]" 1
240 2 2 VAL HA 2 3 GLN QG 5.000 . 5.500 3.317 2.964 4.767 . 0 0 "[ . 1 . 2 ]" 1
241 2 2 VAL HA 2 32 THR H 6.000 . 6.000 5.749 3.989 6.030 0.030 20 0 "[ . 1 . 2 ]" 1
242 2 2 VAL HA 2 32 THR HA 5.000 . 5.000 4.727 3.496 5.041 0.041 14 0 "[ . 1 . 2 ]" 1
243 2 2 VAL HA 2 32 THR MG 5.000 . 5.500 3.867 2.209 4.462 . 0 0 "[ . 1 . 2 ]" 1
244 2 2 VAL HB 2 32 THR MG 5.000 . 5.500 3.478 1.823 4.589 . 0 0 "[ . 1 . 2 ]" 1
245 2 2 VAL QG 2 3 GLN H 2.800 . 3.300 2.074 1.544 2.464 0.256 5 0 "[ . 1 . 2 ]" 1
246 2 2 VAL QG 2 3 GLN QG 5.000 . 6.000 3.554 2.316 3.938 . 0 0 "[ . 1 . 2 ]" 1
247 2 2 VAL QG 2 4 VAL HA 5.000 . 5.500 4.039 3.853 4.181 . 0 0 "[ . 1 . 2 ]" 1
248 2 2 VAL QG 2 27 PHE QD 6.000 . 7.500 2.690 1.823 4.275 . 0 0 "[ . 1 . 2 ]" 1
249 2 2 VAL QG 2 27 PHE QE 6.000 . 7.500 2.177 1.829 2.805 . 0 0 "[ . 1 . 2 ]" 1
250 2 2 VAL QG 2 27 PHE HZ 5.000 . 5.500 3.976 3.647 4.092 . 0 0 "[ . 1 . 2 ]" 1
251 2 2 VAL QG 2 31 LYS QB 5.000 . 6.000 2.453 1.759 3.970 0.041 4 0 "[ . 1 . 2 ]" 1
252 2 2 VAL QG 2 31 LYS QD 5.000 . 6.000 3.656 1.909 3.971 . 0 0 "[ . 1 . 2 ]" 1
253 2 2 VAL QG 2 31 LYS QE 5.000 . 6.000 3.535 2.180 3.968 . 0 0 "[ . 1 . 2 ]" 1
254 2 2 VAL QG 2 31 LYS QG 5.000 . 6.000 3.211 1.951 3.970 . 0 0 "[ . 1 . 2 ]" 1
255 2 2 VAL QG 2 32 THR HA 6.000 . 6.500 3.517 1.668 4.840 0.132 5 0 "[ . 1 . 2 ]" 1
256 2 3 GLN H 2 3 GLN HB2 3.400 . 3.400 3.216 2.142 3.587 0.187 5 0 "[ . 1 . 2 ]" 1
257 2 3 GLN H 2 3 GLN QG 2.800 . 3.300 2.391 1.976 2.977 . 0 0 "[ . 1 . 2 ]" 1
258 2 3 GLN H 2 4 VAL H 5.000 . 5.000 4.310 3.502 4.555 . 0 0 "[ . 1 . 2 ]" 1
259 2 3 GLN HA 2 3 GLN HB2 2.800 . 2.800 2.894 2.875 2.973 0.173 19 0 "[ . 1 . 2 ]" 1
260 2 3 GLN HA 2 3 GLN QG 2.800 . 3.300 2.860 2.194 2.960 . 0 0 "[ . 1 . 2 ]" 1
261 2 3 GLN HA 2 4 VAL H 2.800 . 2.800 2.166 2.104 2.212 . 0 0 "[ . 1 . 2 ]" 1
262 2 3 GLN HA 2 5 THR MG 5.000 . 5.500 4.534 4.396 4.604 . 0 0 "[ . 1 . 2 ]" 1
263 2 3 GLN HB2 2 4 VAL H 5.000 . 5.000 3.668 3.403 4.397 . 0 0 "[ . 1 . 2 ]" 1
264 2 3 GLN HB2 2 5 THR MG 5.000 . 5.500 2.752 2.509 4.116 . 0 0 "[ . 1 . 2 ]" 1
265 2 3 GLN HB3 2 4 VAL H 3.400 . 3.400 3.399 3.299 3.499 0.099 5 0 "[ . 1 . 2 ]" 1
266 2 3 GLN HB3 2 5 THR MG 5.000 . 5.500 3.767 2.743 4.198 . 0 0 "[ . 1 . 2 ]" 1
267 2 3 GLN QG 2 4 VAL H 5.000 . 5.500 4.512 3.288 4.642 . 0 0 "[ . 1 . 2 ]" 1
268 2 3 GLN QG 2 5 THR MG 5.000 . 6.000 3.971 3.633 4.458 . 0 0 "[ . 1 . 2 ]" 1
269 2 4 VAL H 2 4 VAL HB 3.400 . 3.400 2.299 2.171 2.518 . 0 0 "[ . 1 . 2 ]" 1
270 2 4 VAL H 2 5 THR H 5.000 . 5.000 4.392 4.266 4.496 . 0 0 "[ . 1 . 2 ]" 1
271 2 4 VAL HA 2 5 THR H 2.800 . 2.800 2.133 2.118 2.171 . 0 0 "[ . 1 . 2 ]" 1
272 2 4 VAL HA 2 8 ALA MB 5.000 . 5.500 3.537 3.370 3.791 . 0 0 "[ . 1 . 2 ]" 1
273 2 4 VAL HA 2 27 PHE QE 5.000 . 6.000 3.254 2.963 3.460 . 0 0 "[ . 1 . 2 ]" 1
274 2 4 VAL HB 2 32 THR MG 5.000 . 5.500 4.123 3.246 4.587 . 0 0 "[ . 1 . 2 ]" 1
275 2 4 VAL HB 2 42 VAL MG1 5.000 . 5.500 2.741 2.397 3.042 . 0 0 "[ . 1 . 2 ]" 1
276 2 4 VAL MG1 2 5 THR H 5.000 . 5.500 2.955 2.710 3.200 . 0 0 "[ . 1 . 2 ]" 1
277 2 4 VAL MG1 2 9 VAL MG2 5.000 . 6.000 3.163 2.611 3.588 . 0 0 "[ . 1 . 2 ]" 1
278 2 4 VAL MG1 2 27 PHE QE 5.000 . 6.500 3.570 2.929 3.999 . 0 0 "[ . 1 . 2 ]" 1
279 2 4 VAL MG1 2 27 PHE HZ 5.000 . 5.500 4.234 3.789 4.588 . 0 0 "[ . 1 . 2 ]" 1
280 2 4 VAL MG1 2 42 VAL MG1 5.000 . 6.000 2.840 2.116 3.442 . 0 0 "[ . 1 . 2 ]" 1
281 2 4 VAL MG1 2 43 LEU MD1 6.000 . 7.000 2.339 1.878 3.437 . 0 0 "[ . 1 . 2 ]" 1
282 2 4 VAL MG1 2 43 LEU MD2 5.000 . 6.000 3.481 2.539 4.163 . 0 0 "[ . 1 . 2 ]" 1
283 2 4 VAL MG1 2 45 GLN H 6.000 . 6.500 5.430 5.421 5.448 . 0 0 "[ . 1 . 2 ]" 1
284 2 4 VAL MG1 2 46 ILE MD 5.000 . 6.000 1.796 1.702 1.914 0.098 7 0 "[ . 1 . 2 ]" 1
285 2 4 VAL MG2 2 5 THR MG 6.000 . 7.000 4.946 4.929 4.959 . 0 0 "[ . 1 . 2 ]" 1
286 2 4 VAL MG2 2 9 VAL MG2 5.000 . 6.000 4.157 4.034 4.187 . 0 0 "[ . 1 . 2 ]" 1
287 2 4 VAL MG2 2 12 TYR QE 5.000 . 6.500 4.436 4.314 4.489 . 0 0 "[ . 1 . 2 ]" 1
288 2 4 VAL MG2 2 27 PHE HB2 6.000 . 6.500 3.168 2.978 3.328 . 0 0 "[ . 1 . 2 ]" 1
289 2 4 VAL MG2 2 27 PHE QD 5.000 . 6.500 2.430 2.291 2.533 . 0 0 "[ . 1 . 2 ]" 1
290 2 4 VAL MG2 2 27 PHE QE 5.000 . 6.500 2.724 2.496 2.969 . 0 0 "[ . 1 . 2 ]" 1
291 2 4 VAL MG2 2 27 PHE HZ 5.000 . 5.500 3.370 3.051 3.696 . 0 0 "[ . 1 . 2 ]" 1
292 2 4 VAL MG2 2 32 THR HB 5.000 . 5.500 4.097 3.606 4.581 . 0 0 "[ . 1 . 2 ]" 1
293 2 4 VAL MG2 2 32 THR MG 5.000 . 6.000 2.694 1.859 3.099 . 0 0 "[ . 1 . 2 ]" 1
294 2 4 VAL MG2 2 42 VAL MG1 5.000 . 6.000 3.082 2.698 3.551 . 0 0 "[ . 1 . 2 ]" 1
295 2 4 VAL MG2 2 43 LEU MD1 5.000 . 6.000 3.086 2.600 3.590 . 0 0 "[ . 1 . 2 ]" 1
296 2 4 VAL MG2 2 46 ILE MD 6.000 . 7.000 3.929 3.670 4.138 . 0 0 "[ . 1 . 2 ]" 1
297 2 5 THR H 2 8 ALA H 5.000 . 5.000 3.818 3.646 4.010 . 0 0 "[ . 1 . 2 ]" 1
298 2 5 THR H 2 8 ALA MB 5.000 . 5.500 2.209 1.991 2.613 . 0 0 "[ . 1 . 2 ]" 1
299 2 5 THR H 2 27 PHE QE 5.000 . 6.000 4.216 4.034 4.392 . 0 0 "[ . 1 . 2 ]" 1
300 2 5 THR HA 2 5 THR MG 2.800 . 3.300 2.330 2.300 2.339 . 0 0 "[ . 1 . 2 ]" 1
301 2 5 THR HA 2 7 ASP H 5.000 . 5.000 4.590 4.496 4.663 . 0 0 "[ . 1 . 2 ]" 1
302 2 5 THR HA 2 46 ILE MD 5.000 . 5.500 2.064 1.922 2.234 . 0 0 "[ . 1 . 2 ]" 1
303 2 5 THR HA 2 46 ILE MG 5.000 . 5.500 3.852 3.459 4.344 . 0 0 "[ . 1 . 2 ]" 1
304 2 5 THR HB 2 6 GLU H 2.800 . 2.800 2.280 2.115 2.503 . 0 0 "[ . 1 . 2 ]" 1
305 2 5 THR HB 2 7 ASP H 2.800 . 2.800 2.911 2.893 2.926 0.126 10 0 "[ . 1 . 2 ]" 1
306 2 5 THR HB 2 8 ALA H 3.400 . 3.400 3.327 3.168 3.416 0.016 5 0 "[ . 1 . 2 ]" 1
307 2 5 THR MG 2 6 GLU H 5.000 . 5.500 3.424 3.376 3.486 . 0 0 "[ . 1 . 2 ]" 1
308 2 5 THR MG 2 6 GLU QG 6.000 . 7.000 5.243 5.238 5.249 . 0 0 "[ . 1 . 2 ]" 1
309 2 5 THR MG 2 7 ASP H 5.000 . 5.500 4.477 4.459 4.498 . 0 0 "[ . 1 . 2 ]" 1
310 2 5 THR MG 2 8 ALA H 5.000 . 5.500 4.374 4.257 4.498 . 0 0 "[ . 1 . 2 ]" 1
311 2 5 THR MG 2 8 ALA MB 5.000 . 6.000 3.693 3.491 3.875 . 0 0 "[ . 1 . 2 ]" 1
312 2 5 THR MG 2 46 ILE MD 5.000 . 6.000 3.545 3.342 3.740 . 0 0 "[ . 1 . 2 ]" 1
313 2 6 GLU H 2 6 GLU HB3 3.400 . 3.400 3.429 3.415 3.450 0.050 11 0 "[ . 1 . 2 ]" 1
314 2 6 GLU H 2 6 GLU HG3 3.400 . 3.400 2.820 2.662 2.939 . 0 0 "[ . 1 . 2 ]" 1
315 2 6 GLU H 2 7 ASP H 3.400 . 3.400 2.709 2.604 2.887 . 0 0 "[ . 1 . 2 ]" 1
316 2 6 GLU H 2 46 ILE MD 5.000 . 5.500 3.097 2.818 3.280 . 0 0 "[ . 1 . 2 ]" 1
317 2 6 GLU H 2 46 ILE MG 5.000 . 5.500 3.440 3.005 3.817 . 0 0 "[ . 1 . 2 ]" 1
318 2 6 GLU HA 2 6 GLU QG 2.800 . 3.300 2.262 2.210 2.311 . 0 0 "[ . 1 . 2 ]" 1
319 2 6 GLU HA 2 7 ASP H 5.000 . 5.000 3.528 3.520 3.536 . 0 0 "[ . 1 . 2 ]" 1
320 2 6 GLU HA 2 8 ALA H 5.000 . 5.000 4.134 3.925 4.337 . 0 0 "[ . 1 . 2 ]" 1
321 2 6 GLU HA 2 9 VAL H 5.000 . 5.000 3.690 3.342 4.121 . 0 0 "[ . 1 . 2 ]" 1
322 2 6 GLU HA 2 9 VAL MG2 5.000 . 5.500 2.929 2.405 3.332 . 0 0 "[ . 1 . 2 ]" 1
323 2 6 GLU HA 2 46 ILE HB 5.000 . 5.000 4.201 3.925 4.331 . 0 0 "[ . 1 . 2 ]" 1
324 2 6 GLU HA 2 46 ILE MD 6.000 . 6.500 3.476 3.168 3.852 . 0 0 "[ . 1 . 2 ]" 1
325 2 6 GLU HA 2 46 ILE MG 5.000 . 5.500 1.731 1.687 1.797 0.113 20 0 "[ . 1 . 2 ]" 1
326 2 6 GLU HB2 2 46 ILE MD 5.000 . 5.500 4.540 4.407 4.590 . 0 0 "[ . 1 . 2 ]" 1
327 2 6 GLU HB2 2 46 ILE MG 5.000 . 5.500 3.996 3.749 4.216 . 0 0 "[ . 1 . 2 ]" 1
328 2 6 GLU HB3 2 7 ASP H 2.800 . 2.800 2.918 2.889 2.938 0.138 2 0 "[ . 1 . 2 ]" 1
329 2 6 GLU QG 2 46 ILE MD 5.000 . 6.000 3.400 3.318 3.494 . 0 0 "[ . 1 . 2 ]" 1
330 2 6 GLU QG 2 46 ILE HG13 2.800 . 3.300 2.887 2.577 2.983 . 0 0 "[ . 1 . 2 ]" 1
331 2 6 GLU QG 2 46 ILE MG 5.000 . 6.000 2.316 1.932 2.761 . 0 0 "[ . 1 . 2 ]" 1
332 2 6 GLU QG 2 48 LYS QD 6.000 . 7.000 5.627 5.604 5.694 . 0 0 "[ . 1 . 2 ]" 1
333 2 6 GLU QG 2 49 ARG HA 5.000 . 5.500 4.710 4.544 4.922 . 0 0 "[ . 1 . 2 ]" 1
334 2 6 GLU QG 2 50 LEU MD2 5.000 . 6.000 4.428 4.031 4.468 . 0 0 "[ . 1 . 2 ]" 1
335 2 6 GLU HG3 2 7 ASP H 5.000 . 5.000 4.576 4.552 4.638 . 0 0 "[ . 1 . 2 ]" 1
336 2 7 ASP H 2 7 ASP HA 2.800 . 2.800 2.787 2.749 2.816 0.016 14 0 "[ . 1 . 2 ]" 1
337 2 7 ASP H 2 7 ASP QB 2.800 . 3.300 2.041 2.032 2.052 . 0 0 "[ . 1 . 2 ]" 1
338 2 7 ASP H 2 8 ALA H 2.800 . 2.800 2.719 2.635 2.793 . 0 0 "[ . 1 . 2 ]" 1
339 2 7 ASP H 2 8 ALA MB 5.000 . 5.500 4.348 4.258 4.428 . 0 0 "[ . 1 . 2 ]" 1
340 2 7 ASP HA 2 7 ASP HB2 2.800 . 2.800 2.834 2.828 2.837 0.037 17 0 "[ . 1 . 2 ]" 1
341 2 7 ASP HA 2 7 ASP HB3 2.800 . 2.800 2.839 2.835 2.841 0.041 9 0 "[ . 1 . 2 ]" 1
342 2 7 ASP HA 2 8 ALA H 3.400 . 3.400 3.462 3.447 3.480 0.080 11 0 "[ . 1 . 2 ]" 1
343 2 7 ASP HA 2 10 ARG H 5.000 . 5.000 3.584 3.367 3.767 . 0 0 "[ . 1 . 2 ]" 1
344 2 7 ASP HA 2 10 ARG HD3 5.000 . 5.000 4.175 3.670 4.859 . 0 0 "[ . 1 . 2 ]" 1
345 2 7 ASP HA 2 11 ARG H 5.000 . 5.000 4.662 4.420 5.017 0.017 21 0 "[ . 1 . 2 ]" 1
346 2 7 ASP QB 2 8 ALA H 2.800 . 3.300 2.949 2.906 2.965 . 0 0 "[ . 1 . 2 ]" 1
347 2 8 ALA H 2 8 ALA HA 2.800 . 2.800 2.845 2.824 2.868 0.068 10 0 "[ . 1 . 2 ]" 1
348 2 8 ALA H 2 8 ALA MB 2.800 . 3.300 2.139 2.067 2.249 . 0 0 "[ . 1 . 2 ]" 1
349 2 8 ALA H 2 9 VAL H 2.800 . 2.800 2.615 2.448 2.807 0.007 2 0 "[ . 1 . 2 ]" 1
350 2 8 ALA H 2 9 VAL HB 5.000 . 5.000 5.017 4.984 5.042 0.042 3 0 "[ . 1 . 2 ]" 1
351 2 8 ALA H 2 9 VAL MG2 5.000 . 5.500 3.882 3.626 4.063 . 0 0 "[ . 1 . 2 ]" 1
352 2 8 ALA HA 2 9 VAL H 5.000 . 5.000 3.536 3.507 3.577 . 0 0 "[ . 1 . 2 ]" 1
353 2 8 ALA HA 2 11 ARG H 5.000 . 5.000 3.690 3.420 3.824 . 0 0 "[ . 1 . 2 ]" 1
354 2 8 ALA HA 2 11 ARG HA 6.000 . 6.000 5.902 5.710 5.981 . 0 0 "[ . 1 . 2 ]" 1
355 2 8 ALA HA 2 11 ARG HB2 5.000 . 5.000 5.060 5.031 5.084 0.084 8 0 "[ . 1 . 2 ]" 1
356 2 8 ALA HA 2 11 ARG HB3 5.000 . 5.000 3.770 3.435 4.049 . 0 0 "[ . 1 . 2 ]" 1
357 2 8 ALA MB 2 9 VAL H 2.800 . 3.300 2.641 2.355 2.757 . 0 0 "[ . 1 . 2 ]" 1
358 2 8 ALA MB 2 9 VAL MG1 6.000 . 7.000 4.813 4.719 4.859 . 0 0 "[ . 1 . 2 ]" 1
359 2 8 ALA MB 2 9 VAL MG2 5.000 . 6.000 3.106 2.925 3.177 . 0 0 "[ . 1 . 2 ]" 1
360 2 8 ALA MB 2 10 ARG H 5.000 . 5.500 4.436 4.145 4.605 . 0 0 "[ . 1 . 2 ]" 1
361 2 8 ALA MB 2 12 TYR QD 5.000 . 6.500 4.433 4.159 4.484 . 0 0 "[ . 1 . 2 ]" 1
362 2 8 ALA MB 2 12 TYR QE 5.000 . 6.500 3.346 2.965 3.982 . 0 0 "[ . 1 . 2 ]" 1
363 2 8 ALA MB 2 27 PHE QD 6.000 . 7.500 5.214 5.198 5.234 . 0 0 "[ . 1 . 2 ]" 1
364 2 8 ALA MB 2 27 PHE QE 5.000 . 6.500 3.493 3.419 3.583 . 0 0 "[ . 1 . 2 ]" 1
365 2 8 ALA MB 2 46 ILE MG 6.000 . 7.000 4.270 4.140 4.361 . 0 0 "[ . 1 . 2 ]" 1
366 2 9 VAL H 2 9 VAL HA 2.800 . 2.800 2.813 2.734 2.850 0.050 6 0 "[ . 1 . 2 ]" 1
367 2 9 VAL H 2 9 VAL HB 2.800 . 2.800 2.694 2.630 2.770 . 0 0 "[ . 1 . 2 ]" 1
368 2 9 VAL H 2 9 VAL MG2 2.800 . 3.300 2.093 1.913 2.208 . 0 0 "[ . 1 . 2 ]" 1
369 2 9 VAL H 2 10 ARG H 2.800 . 2.800 2.585 2.463 2.811 0.011 21 0 "[ . 1 . 2 ]" 1
370 2 9 VAL H 2 11 ARG H 5.000 . 5.000 4.330 4.082 4.602 . 0 0 "[ . 1 . 2 ]" 1
371 2 9 VAL HA 2 10 ARG H 3.400 . 3.400 3.479 3.451 3.501 0.101 9 0 "[ . 1 . 2 ]" 1
372 2 9 VAL HA 2 12 TYR H 5.000 . 5.000 3.197 3.066 3.294 . 0 0 "[ . 1 . 2 ]" 1
373 2 9 VAL HA 2 12 TYR QD 5.000 . 6.000 2.566 2.210 3.305 . 0 0 "[ . 1 . 2 ]" 1
374 2 9 VAL HA 2 13 LEU MD2 5.000 . 5.500 3.643 3.439 3.851 . 0 0 "[ . 1 . 2 ]" 1
375 2 9 VAL HA 2 46 ILE MG 5.000 . 5.500 4.529 4.296 4.601 . 0 0 "[ . 1 . 2 ]" 1
376 2 9 VAL HB 2 10 ARG H 5.000 . 5.000 2.838 2.628 3.041 . 0 0 "[ . 1 . 2 ]" 1
377 2 9 VAL MG1 2 10 ARG H 5.000 . 5.500 3.792 3.698 3.892 . 0 0 "[ . 1 . 2 ]" 1
378 2 9 VAL MG1 2 10 ARG HA 5.000 . 5.500 3.885 3.798 4.058 . 0 0 "[ . 1 . 2 ]" 1
379 2 9 VAL MG1 2 10 ARG HD2 5.000 . 5.500 4.337 4.191 4.567 . 0 0 "[ . 1 . 2 ]" 1
380 2 9 VAL MG1 2 10 ARG HD3 6.000 . 6.500 4.334 4.197 4.488 . 0 0 "[ . 1 . 2 ]" 1
381 2 9 VAL MG1 2 12 TYR HA 6.000 . 6.500 5.423 5.254 5.457 . 0 0 "[ . 1 . 2 ]" 1
382 2 9 VAL MG1 2 12 TYR QD 5.000 . 6.500 2.685 2.467 3.199 . 0 0 "[ . 1 . 2 ]" 1
383 2 9 VAL MG1 2 12 TYR QE 5.000 . 6.500 4.027 3.712 4.480 . 0 0 "[ . 1 . 2 ]" 1
384 2 9 VAL MG1 2 13 LEU MD1 5.000 . 6.000 2.962 2.631 3.312 . 0 0 "[ . 1 . 2 ]" 1
385 2 9 VAL MG1 2 43 LEU MD1 5.000 . 6.000 3.355 3.097 4.184 . 0 0 "[ . 1 . 2 ]" 1
386 2 9 VAL MG1 2 47 LEU HB2 6.000 . 6.500 5.274 5.037 5.432 . 0 0 "[ . 1 . 2 ]" 1
387 2 9 VAL MG1 2 47 LEU HB3 6.000 . 6.500 5.277 4.948 5.445 . 0 0 "[ . 1 . 2 ]" 1
388 2 9 VAL MG1 2 47 LEU MD1 5.000 . 6.000 2.580 2.249 2.880 . 0 0 "[ . 1 . 2 ]" 1
389 2 9 VAL MG1 2 47 LEU HG 6.000 . 6.500 5.121 4.779 5.312 . 0 0 "[ . 1 . 2 ]" 1
390 2 9 VAL MG2 2 10 ARG H 5.000 . 5.500 3.755 3.580 3.867 . 0 0 "[ . 1 . 2 ]" 1
391 2 9 VAL MG2 2 10 ARG HA 6.000 . 6.500 5.373 5.297 5.423 . 0 0 "[ . 1 . 2 ]" 1
392 2 9 VAL MG2 2 10 ARG HD2 6.000 . 6.500 5.370 5.230 5.419 . 0 0 "[ . 1 . 2 ]" 1
393 2 9 VAL MG2 2 10 ARG HD3 5.000 . 5.500 4.564 4.467 4.591 . 0 0 "[ . 1 . 2 ]" 1
394 2 9 VAL MG2 2 10 ARG HG2 6.000 . 6.500 4.735 4.494 4.863 . 0 0 "[ . 1 . 2 ]" 1
395 2 9 VAL MG2 2 27 PHE QE 5.000 . 6.500 2.965 2.419 3.458 . 0 0 "[ . 1 . 2 ]" 1
396 2 9 VAL MG2 2 27 PHE HZ 5.000 . 5.500 3.633 3.121 4.329 . 0 0 "[ . 1 . 2 ]" 1
397 2 9 VAL MG2 2 43 LEU MD1 5.000 . 6.000 2.651 2.298 3.742 . 0 0 "[ . 1 . 2 ]" 1
398 2 10 ARG H 2 10 ARG QB 2.800 . 3.300 2.684 2.635 2.730 . 0 0 "[ . 1 . 2 ]" 1
399 2 10 ARG H 2 10 ARG HG2 5.000 . 5.000 1.956 1.898 2.045 . 0 0 "[ . 1 . 2 ]" 1
400 2 10 ARG H 2 11 ARG H 3.400 . 3.400 2.739 2.641 2.871 . 0 0 "[ . 1 . 2 ]" 1
401 2 10 ARG H 2 13 LEU MD1 5.000 . 5.500 4.593 4.580 4.609 . 0 0 "[ . 1 . 2 ]" 1
402 2 10 ARG HA 2 10 ARG HD2 3.400 . 3.400 1.964 1.897 2.010 . 0 0 "[ . 1 . 2 ]" 1
403 2 10 ARG HA 2 10 ARG HD3 3.400 . 3.400 3.346 3.268 3.408 0.008 4 0 "[ . 1 . 2 ]" 1
404 2 10 ARG HA 2 10 ARG HG2 3.400 . 3.400 3.388 3.324 3.419 0.019 11 0 "[ . 1 . 2 ]" 1
405 2 10 ARG HA 2 11 ARG H 5.000 . 5.000 3.541 3.521 3.556 . 0 0 "[ . 1 . 2 ]" 1
406 2 10 ARG HA 2 13 LEU H 3.500 . 3.500 3.425 3.291 3.527 0.027 15 0 "[ . 1 . 2 ]" 1
407 2 10 ARG HA 2 14 THR H 5.000 . 5.000 3.981 3.785 4.181 . 0 0 "[ . 1 . 2 ]" 1
408 2 10 ARG HA 2 65 LEU MD1 5.000 . 5.500 4.466 3.951 4.628 . 0 0 "[ . 1 . 2 ]" 1
409 2 10 ARG QB 2 11 ARG H 2.800 . 3.300 2.446 2.207 2.670 . 0 0 "[ . 1 . 2 ]" 1
410 2 10 ARG QB 2 65 LEU MD1 6.000 . 7.000 4.340 4.040 4.883 . 0 0 "[ . 1 . 2 ]" 1
411 2 10 ARG HD2 2 49 ARG QB 6.000 . 6.500 5.239 4.720 5.696 . 0 0 "[ . 1 . 2 ]" 1
412 2 10 ARG HD3 2 49 ARG QB 6.000 . 6.500 3.917 3.357 4.395 . 0 0 "[ . 1 . 2 ]" 1
413 2 10 ARG HD3 2 49 ARG HG2 6.000 . 6.000 5.697 5.033 6.074 0.074 15 0 "[ . 1 . 2 ]" 1
414 2 10 ARG HD3 2 49 ARG HG3 6.000 . 6.000 5.907 5.486 6.017 0.017 4 0 "[ . 1 . 2 ]" 1
415 2 11 ARG H 2 11 ARG HA 2.800 . 2.800 2.809 2.775 2.840 0.040 15 0 "[ . 1 . 2 ]" 1
416 2 11 ARG H 2 11 ARG HB3 2.800 . 2.800 2.336 2.136 2.500 . 0 0 "[ . 1 . 2 ]" 1
417 2 11 ARG H 2 11 ARG HG2 2.800 . 2.800 2.739 2.549 2.866 0.066 3 0 "[ . 1 . 2 ]" 1
418 2 11 ARG H 2 11 ARG HG3 5.000 . 5.000 3.228 2.751 3.926 . 0 0 "[ . 1 . 2 ]" 1
419 2 11 ARG H 2 12 TYR H 3.400 . 3.400 2.612 2.501 2.710 . 0 0 "[ . 1 . 2 ]" 1
420 2 11 ARG H 2 13 LEU MD2 6.000 . 6.500 5.252 4.990 5.431 . 0 0 "[ . 1 . 2 ]" 1
421 2 11 ARG HA 2 11 ARG HB3 2.800 . 2.800 2.561 2.470 2.685 . 0 0 "[ . 1 . 2 ]" 1
422 2 11 ARG HA 2 11 ARG HG3 3.400 . 3.400 3.521 3.487 3.543 0.143 9 0 "[ . 1 . 2 ]" 1
423 2 11 ARG HA 2 12 TYR H 5.000 . 5.000 3.466 3.440 3.483 . 0 0 "[ . 1 . 2 ]" 1
424 2 11 ARG HA 2 14 THR H 5.000 . 5.000 3.712 3.419 4.008 . 0 0 "[ . 1 . 2 ]" 1
425 2 11 ARG HA 2 15 ARG HA 6.000 . 6.000 6.055 6.023 6.091 0.091 12 0 "[ . 1 . 2 ]" 1
426 2 11 ARG HB3 2 11 ARG HD3 3.400 . 3.400 3.116 2.486 3.426 0.026 13 0 "[ . 1 . 2 ]" 1
427 2 11 ARG HB3 2 12 TYR H 5.000 . 5.000 3.919 3.648 4.059 . 0 0 "[ . 1 . 2 ]" 1
428 2 11 ARG HD2 2 11 ARG HG2 2.800 . 2.800 2.833 2.820 2.849 0.049 8 0 "[ . 1 . 2 ]" 1
429 2 11 ARG HD2 2 11 ARG HG3 2.800 . 2.800 2.509 2.214 2.839 0.039 16 0 "[ . 1 . 2 ]" 1
430 2 11 ARG HD3 2 11 ARG HG2 2.800 . 2.800 2.537 2.207 2.846 0.046 3 0 "[ . 1 . 2 ]" 1
431 2 11 ARG HG2 2 12 TYR H 3.400 . 3.400 3.158 2.441 3.427 0.027 8 0 "[ . 1 . 2 ]" 1
432 2 11 ARG HG2 2 12 TYR QE 5.000 . 6.000 3.300 2.413 4.091 . 0 0 "[ . 1 . 2 ]" 1
433 2 12 TYR H 2 12 TYR HB2 3.400 . 3.400 2.506 2.300 2.607 . 0 0 "[ . 1 . 2 ]" 1
434 2 12 TYR H 2 12 TYR QD 2.800 . 3.800 2.720 2.483 2.947 . 0 0 "[ . 1 . 2 ]" 1
435 2 12 TYR H 2 13 LEU H 2.800 . 2.800 2.541 2.439 2.663 . 0 0 "[ . 1 . 2 ]" 1
436 2 12 TYR H 2 13 LEU MD2 6.000 . 6.500 3.696 3.543 3.908 . 0 0 "[ . 1 . 2 ]" 1
437 2 12 TYR HA 2 12 TYR QD 3.900 2.300 4.900 2.094 2.024 2.211 0.276 16 0 "[ . 1 . 2 ]" 1
438 2 12 TYR HA 2 12 TYR QE 5.000 . 6.000 4.396 4.285 4.509 . 0 0 "[ . 1 . 2 ]" 1
439 2 12 TYR HA 2 13 LEU H 5.000 . 5.000 3.526 3.503 3.548 . 0 0 "[ . 1 . 2 ]" 1
440 2 12 TYR HA 2 15 ARG QD 6.000 . 6.500 3.589 2.791 4.109 . 0 0 "[ . 1 . 2 ]" 1
441 2 12 TYR HB2 2 13 LEU H 3.400 . 3.400 2.566 2.453 2.734 . 0 0 "[ . 1 . 2 ]" 1
442 2 12 TYR HB3 2 13 LEU H 5.000 . 5.000 3.636 3.381 3.797 . 0 0 "[ . 1 . 2 ]" 1
443 2 12 TYR HB3 2 13 LEU MD2 5.000 . 5.500 3.186 2.627 3.483 . 0 0 "[ . 1 . 2 ]" 1
444 2 12 TYR QD 2 13 LEU H 5.000 . 6.000 4.328 4.225 4.426 . 0 0 "[ . 1 . 2 ]" 1
445 2 12 TYR QD 2 13 LEU MD2 5.000 . 6.500 3.718 3.561 3.929 . 0 0 "[ . 1 . 2 ]" 1
446 2 12 TYR QD 2 15 ARG QD 5.000 . 6.500 4.115 3.268 4.588 . 0 0 "[ . 1 . 2 ]" 1
447 2 12 TYR QD 2 23 LEU HB3 5.000 . 6.000 4.906 4.464 4.976 . 0 0 "[ . 1 . 2 ]" 1
448 2 12 TYR QD 2 23 LEU QD 5.000 . 6.500 2.037 1.749 2.638 0.051 3 0 "[ . 1 . 2 ]" 1
449 2 12 TYR QE 2 26 LYS QE 6.000 . 7.500 2.151 1.862 3.330 . 0 0 "[ . 1 . 2 ]" 1
450 2 12 TYR QE 2 27 PHE QE 5.000 . 7.000 2.074 1.840 2.785 . 0 0 "[ . 1 . 2 ]" 1
451 2 13 LEU H 2 13 LEU HB2 3.400 . 3.400 2.839 2.682 2.938 . 0 0 "[ . 1 . 2 ]" 1
452 2 13 LEU H 2 13 LEU HB3 3.400 . 3.400 3.509 3.487 3.528 0.128 16 0 "[ . 1 . 2 ]" 1
453 2 13 LEU H 2 13 LEU MD1 5.000 . 5.500 3.608 3.545 3.685 . 0 0 "[ . 1 . 2 ]" 1
454 2 13 LEU H 2 13 LEU MD2 5.000 . 5.500 2.256 2.078 2.416 . 0 0 "[ . 1 . 2 ]" 1
455 2 13 LEU H 2 13 LEU HG 2.800 . 2.800 1.977 1.880 2.109 . 0 0 "[ . 1 . 2 ]" 1
456 2 13 LEU H 2 14 THR H 2.800 . 2.800 2.770 2.642 2.830 0.030 1 0 "[ . 1 . 2 ]" 1
457 2 13 LEU H 2 15 ARG H 5.000 . 5.000 3.803 3.746 3.856 . 0 0 "[ . 1 . 2 ]" 1
458 2 13 LEU HA 2 13 LEU MD2 2.800 . 3.300 2.083 1.967 2.194 . 0 0 "[ . 1 . 2 ]" 1
459 2 13 LEU HA 2 14 THR H 5.000 . 5.000 3.572 3.560 3.581 . 0 0 "[ . 1 . 2 ]" 1
460 2 13 LEU HA 2 16 LYS H 5.000 . 5.000 3.172 2.979 3.306 . 0 0 "[ . 1 . 2 ]" 1
461 2 13 LEU HA 2 64 SER HA 5.500 2.300 5.500 4.392 3.925 4.816 . 0 0 "[ . 1 . 2 ]" 1
462 2 13 LEU HA 2 65 LEU MD2 5.000 . 5.500 4.247 3.438 4.643 . 0 0 "[ . 1 . 2 ]" 1
463 2 13 LEU HB2 2 14 THR H 5.000 . 5.000 2.161 1.991 2.278 . 0 0 "[ . 1 . 2 ]" 1
464 2 13 LEU HB2 2 15 ARG H 5.000 . 5.000 4.463 4.378 4.511 . 0 0 "[ . 1 . 2 ]" 1
465 2 13 LEU HB2 2 64 SER HA 6.000 . 6.000 4.407 3.941 5.024 . 0 0 "[ . 1 . 2 ]" 1
466 2 13 LEU HB3 2 14 THR H 5.000 . 5.000 3.600 3.437 3.714 . 0 0 "[ . 1 . 2 ]" 1
467 2 13 LEU HB3 2 64 SER HA 5.000 . 5.000 2.834 2.347 3.426 . 0 0 "[ . 1 . 2 ]" 1
468 2 13 LEU HB3 2 65 LEU HA 5.000 . 5.000 4.893 4.692 5.052 0.052 12 0 "[ . 1 . 2 ]" 1
469 2 13 LEU MD1 2 50 LEU HB2 5.000 . 5.500 3.011 2.883 3.099 . 0 0 "[ . 1 . 2 ]" 1
470 2 13 LEU MD1 2 65 LEU H 5.000 . 5.500 2.848 2.393 3.268 . 0 0 "[ . 1 . 2 ]" 1
471 2 13 LEU MD1 2 65 LEU MD1 5.000 . 6.000 3.147 1.814 3.878 . 0 0 "[ . 1 . 2 ]" 1
472 2 13 LEU MD2 2 14 THR H 6.000 . 6.500 4.151 4.109 4.229 . 0 0 "[ . 1 . 2 ]" 1
473 2 13 LEU MD2 2 16 LYS H 5.000 . 5.500 4.597 4.584 4.615 . 0 0 "[ . 1 . 2 ]" 1
474 2 13 LEU MD2 2 52 PRO HG3 5.000 . 5.500 4.013 3.570 4.347 . 0 0 "[ . 1 . 2 ]" 1
475 2 13 LEU MD2 2 64 SER H 6.000 . 6.500 5.364 4.993 5.445 . 0 0 "[ . 1 . 2 ]" 1
476 2 13 LEU MD2 2 64 SER HA 5.000 . 5.500 3.310 3.043 3.462 . 0 0 "[ . 1 . 2 ]" 1
477 2 13 LEU MD2 2 65 LEU H 5.000 . 5.500 4.027 3.807 4.267 . 0 0 "[ . 1 . 2 ]" 1
478 2 13 LEU HG 2 14 THR H 5.000 . 5.000 3.456 3.309 3.685 . 0 0 "[ . 1 . 2 ]" 1
479 2 14 THR H 2 14 THR HA 2.800 . 2.800 2.738 2.720 2.754 . 0 0 "[ . 1 . 2 ]" 1
480 2 14 THR H 2 14 THR HB 3.400 . 3.400 3.442 3.407 3.530 0.130 18 0 "[ . 1 . 2 ]" 1
481 2 14 THR H 2 15 ARG H 2.800 . 2.800 2.769 2.738 2.796 . 0 0 "[ . 1 . 2 ]" 1
482 2 14 THR H 2 16 LYS H 5.000 . 5.000 4.388 4.129 4.572 . 0 0 "[ . 1 . 2 ]" 1
483 2 14 THR HA 2 14 THR HB 2.800 . 2.800 2.748 2.372 2.802 0.002 12 0 "[ . 1 . 2 ]" 1
484 2 14 THR HA 2 14 THR MG 2.800 . 3.300 2.064 1.988 2.501 . 0 0 "[ . 1 . 2 ]" 1
485 2 14 THR HA 2 15 ARG H 3.400 . 3.400 3.447 3.438 3.454 0.054 18 0 "[ . 1 . 2 ]" 1
486 2 14 THR HA 2 16 LYS H 5.000 . 5.000 4.815 4.409 5.034 0.034 4 0 "[ . 1 . 2 ]" 1
487 2 14 THR HA 2 65 LEU HB2 6.000 . 6.000 5.509 5.199 6.007 0.007 2 0 "[ . 1 . 2 ]" 1
488 2 14 THR HA 2 65 LEU MD1 6.000 . 6.500 4.122 3.535 4.440 . 0 0 "[ . 1 . 2 ]" 1
489 2 14 THR HA 2 65 LEU MD2 5.000 . 5.500 3.752 2.443 4.503 . 0 0 "[ . 1 . 2 ]" 1
490 2 14 THR HB 2 16 LYS H 6.000 . 6.000 5.654 5.360 6.000 . 0 0 "[ . 1 . 2 ]" 1
491 2 14 THR MG 2 15 ARG H 5.000 . 5.500 4.289 3.804 4.350 . 0 0 "[ . 1 . 2 ]" 1
492 2 14 THR MG 2 65 LEU MD1 6.000 . 7.000 3.184 2.800 3.721 . 0 0 "[ . 1 . 2 ]" 1
493 2 14 THR MG 2 65 LEU HG 5.000 . 5.500 3.541 2.894 4.586 . 0 0 "[ . 1 . 2 ]" 1
494 2 14 THR MG 2 66 LYS HA 5.000 . 5.500 3.882 3.352 4.583 . 0 0 "[ . 1 . 2 ]" 1
495 2 14 THR MG 2 67 GLU HA 6.000 . 6.500 3.794 3.342 5.419 . 0 0 "[ . 1 . 2 ]" 1
496 2 14 THR MG 2 67 GLU HB2 5.000 . 5.500 2.859 1.823 4.041 . 0 0 "[ . 1 . 2 ]" 1
497 2 14 THR MG 2 67 GLU HB3 5.000 . 5.500 2.413 1.832 4.381 . 0 0 "[ . 1 . 2 ]" 1
498 2 14 THR MG 2 67 GLU QG 5.000 . 6.000 1.903 1.726 2.097 0.074 12 0 "[ . 1 . 2 ]" 1
499 2 15 ARG H 2 15 ARG HA 2.800 . 2.800 2.879 2.868 2.888 0.088 12 0 "[ . 1 . 2 ]" 1
500 2 15 ARG H 2 15 ARG QB 2.800 . 3.300 2.297 2.172 2.608 . 0 0 "[ . 1 . 2 ]" 1
501 2 15 ARG H 2 15 ARG HD3 5.000 . 5.000 4.642 4.112 4.963 . 0 0 "[ . 1 . 2 ]" 1
502 2 15 ARG H 2 15 ARG HG3 5.000 . 5.000 3.847 2.769 4.631 . 0 0 "[ . 1 . 2 ]" 1
503 2 15 ARG H 2 16 LYS H 2.800 . 2.800 2.379 2.255 2.530 . 0 0 "[ . 1 . 2 ]" 1
504 2 15 ARG HA 2 67 GLU H 6.000 . 6.000 6.040 6.021 6.057 0.057 17 0 "[ . 1 . 2 ]" 1
505 2 15 ARG QB 2 15 ARG QD 2.800 . 3.800 2.137 2.032 2.422 . 0 0 "[ . 1 . 2 ]" 1
506 2 15 ARG HB2 2 16 LYS H 5.000 . 5.000 3.363 2.533 4.018 . 0 0 "[ . 1 . 2 ]" 1
507 2 16 LYS H 2 16 LYS HA 2.800 . 2.800 2.810 2.699 2.859 0.059 4 0 "[ . 1 . 2 ]" 1
508 2 16 LYS H 2 16 LYS QD 5.000 . 5.500 4.288 2.086 4.960 . 0 0 "[ . 1 . 2 ]" 1
509 2 16 LYS H 2 16 LYS HG2 5.000 . 5.000 4.613 3.847 5.101 0.101 7 0 "[ . 1 . 2 ]" 1
510 2 16 LYS H 2 16 LYS HG3 5.000 . 5.000 4.422 2.782 5.113 0.113 11 0 "[ . 1 . 2 ]" 1
511 2 16 LYS H 2 17 PRO HA 5.000 . 5.000 4.718 4.640 4.826 . 0 0 "[ . 1 . 2 ]" 1
512 2 16 LYS H 2 17 PRO HD2 5.000 . 5.000 4.749 4.491 5.037 0.037 21 0 "[ . 1 . 2 ]" 1
513 2 16 LYS H 2 17 PRO HD3 5.000 . 5.000 4.590 4.192 4.872 . 0 0 "[ . 1 . 2 ]" 1
514 2 16 LYS HA 2 16 LYS HB3 2.800 . 2.800 2.781 2.286 2.979 0.179 10 0 "[ . 1 . 2 ]" 1
515 2 16 LYS HA 2 16 LYS QD 3.400 . 3.900 2.769 1.872 3.530 . 0 0 "[ . 1 . 2 ]" 1
516 2 16 LYS HA 2 17 PRO HD2 2.800 . 2.800 2.340 1.936 2.825 0.025 12 0 "[ . 1 . 2 ]" 1
517 2 16 LYS HA 2 17 PRO HD3 3.400 . 3.400 2.419 1.940 2.648 . 0 0 "[ . 1 . 2 ]" 1
518 2 16 LYS HA 2 17 PRO HG2 5.000 . 5.000 4.437 4.119 4.823 . 0 0 "[ . 1 . 2 ]" 1
519 2 16 LYS QE 2 64 SER HB2 6.000 . 6.500 5.679 4.922 5.859 . 0 0 "[ . 1 . 2 ]" 1
520 2 16 LYS QE 2 64 SER HB3 6.000 . 6.500 5.529 4.773 5.828 . 0 0 "[ . 1 . 2 ]" 1
521 2 17 PRO HA 2 18 MET H 2.800 . 2.800 2.308 2.160 2.479 . 0 0 "[ . 1 . 2 ]" 1
522 2 17 PRO HA 2 57 ILE HG12 5.000 . 5.000 5.072 5.018 5.103 0.103 20 0 "[ . 1 . 2 ]" 1
523 2 17 PRO HA 2 64 SER HA 5.000 . 5.000 4.185 3.903 4.354 . 0 0 "[ . 1 . 2 ]" 1
524 2 17 PRO HA 2 64 SER HB2 5.000 . 5.000 1.896 1.767 2.252 0.033 17 0 "[ . 1 . 2 ]" 1
525 2 17 PRO HA 2 64 SER HB3 5.000 . 5.000 2.352 1.930 2.843 . 0 0 "[ . 1 . 2 ]" 1
526 2 17 PRO HB2 2 18 MET H 5.000 . 5.000 2.893 2.408 3.569 . 0 0 "[ . 1 . 2 ]" 1
527 2 17 PRO HB2 2 57 ILE MD 5.000 . 5.500 3.415 3.182 3.712 . 0 0 "[ . 1 . 2 ]" 1
528 2 17 PRO HB2 2 64 SER H 5.000 . 5.000 5.050 5.004 5.129 0.129 16 0 "[ . 1 . 2 ]" 1
529 2 17 PRO HB2 2 64 SER HB2 3.400 . 3.400 3.000 2.793 3.418 0.018 16 0 "[ . 1 . 2 ]" 1
530 2 17 PRO HB2 2 64 SER HB3 5.000 . 5.000 3.912 3.383 4.938 . 0 0 "[ . 1 . 2 ]" 1
531 2 17 PRO HB3 2 18 MET H 5.000 . 5.000 3.449 2.653 3.765 . 0 0 "[ . 1 . 2 ]" 1
532 2 17 PRO HB3 2 57 ILE MD 5.000 . 5.500 3.751 3.499 4.143 . 0 0 "[ . 1 . 2 ]" 1
533 2 17 PRO HD2 2 57 ILE HG13 5.000 . 5.000 3.763 2.679 4.102 . 0 0 "[ . 1 . 2 ]" 1
534 2 17 PRO HD3 2 57 ILE HG13 5.000 . 5.000 4.550 4.100 4.879 . 0 0 "[ . 1 . 2 ]" 1
535 2 17 PRO HG2 2 64 SER HB2 5.000 . 5.000 4.691 3.694 5.038 0.038 5 0 "[ . 1 . 2 ]" 1
536 2 17 PRO HG2 2 64 SER HB3 5.000 . 5.000 4.987 4.754 5.070 0.070 17 0 "[ . 1 . 2 ]" 1
537 2 17 PRO HG3 2 64 SER HB2 5.000 . 5.000 4.298 2.319 5.036 0.036 2 0 "[ . 1 . 2 ]" 1
538 2 17 PRO HG3 2 64 SER HB3 5.000 . 5.000 4.166 3.044 4.572 . 0 0 "[ . 1 . 2 ]" 1
539 2 18 MET H 2 18 MET ME 5.000 . 5.000 3.018 2.223 3.637 . 0 0 "[ . 1 . 2 ]" 1
540 2 18 MET H 2 18 MET HG2 5.000 . 5.000 3.807 3.622 4.130 . 0 0 "[ . 1 . 2 ]" 1
541 2 18 MET H 2 18 MET HG3 5.000 . 5.000 3.511 1.963 4.322 . 0 0 "[ . 1 . 2 ]" 1
542 2 18 MET H 2 19 THR H 5.000 . 5.000 4.371 4.325 4.400 . 0 0 "[ . 1 . 2 ]" 1
543 2 18 MET H 2 62 HIS HA 5.000 . 5.000 4.306 3.534 5.050 0.050 2 0 "[ . 1 . 2 ]" 1
544 2 18 MET H 2 63 PHE H 5.000 . 5.000 3.519 2.834 3.969 . 0 0 "[ . 1 . 2 ]" 1
545 2 18 MET H 2 63 PHE QD 5.500 2.300 6.500 4.535 4.115 4.910 . 0 0 "[ . 1 . 2 ]" 1
546 2 18 MET H 2 64 SER HA 5.000 . 5.000 4.714 4.498 5.014 0.014 16 0 "[ . 1 . 2 ]" 1
547 2 18 MET H 2 64 SER HB3 5.000 . 5.000 4.053 3.356 4.732 . 0 0 "[ . 1 . 2 ]" 1
548 2 18 MET HA 2 18 MET ME 5.000 . 5.500 4.370 3.766 4.631 . 0 0 "[ . 1 . 2 ]" 1
549 2 18 MET HA 2 19 THR H 2.800 . 2.800 2.391 2.254 2.543 . 0 0 "[ . 1 . 2 ]" 1
550 2 18 MET HA 2 22 ASP H 6.000 . 6.000 5.910 5.707 6.036 0.036 21 0 "[ . 1 . 2 ]" 1
551 2 18 MET HA 2 23 LEU H 6.000 . 6.000 5.704 5.209 6.037 0.037 16 0 "[ . 1 . 2 ]" 1
552 2 18 MET HA 2 62 HIS HD2 5.000 . 5.000 3.190 1.882 5.028 0.028 10 0 "[ . 1 . 2 ]" 1
553 2 18 MET HB2 2 19 THR H 5.000 . 5.000 2.431 1.983 2.873 . 0 0 "[ . 1 . 2 ]" 1
554 2 18 MET HB2 2 23 LEU HB3 6.000 . 6.000 5.062 4.813 5.355 . 0 0 "[ . 1 . 2 ]" 1
555 2 18 MET HB2 2 23 LEU QD 5.000 . 5.500 3.423 2.024 4.094 . 0 0 "[ . 1 . 2 ]" 1
556 2 18 MET HB3 2 23 LEU HB3 6.000 . 6.000 6.104 6.010 6.213 0.213 4 0 "[ . 1 . 2 ]" 1
557 2 18 MET HB3 2 23 LEU QD 5.000 . 5.500 3.699 2.396 4.120 . 0 0 "[ . 1 . 2 ]" 1
558 2 18 MET ME 2 19 THR H 5.000 . 5.000 4.183 3.050 4.516 . 0 0 "[ . 1 . 2 ]" 1
559 2 19 THR H 2 20 THR H 5.000 . 5.000 4.510 4.449 4.579 . 0 0 "[ . 1 . 2 ]" 1
560 2 19 THR H 2 21 LYS H 6.000 . 6.000 5.019 4.675 5.175 . 0 0 "[ . 1 . 2 ]" 1
561 2 19 THR H 2 22 ASP H 5.000 . 5.000 3.652 3.447 3.802 . 0 0 "[ . 1 . 2 ]" 1
562 2 19 THR H 2 22 ASP HB2 3.400 . 3.400 3.333 3.143 3.433 0.033 14 0 "[ . 1 . 2 ]" 1
563 2 19 THR H 2 22 ASP HB3 5.000 . 5.000 1.940 1.813 2.025 . 0 0 "[ . 1 . 2 ]" 1
564 2 19 THR H 2 62 HIS HD2 5.000 . 5.000 4.217 3.246 5.082 0.082 2 0 "[ . 1 . 2 ]" 1
565 2 19 THR HA 2 19 THR HB 2.800 . 2.800 2.420 2.325 2.734 . 0 0 "[ . 1 . 2 ]" 1
566 2 19 THR HA 2 19 THR MG 2.800 . 3.300 2.518 2.173 2.744 . 0 0 "[ . 1 . 2 ]" 1
567 2 19 THR HA 2 20 THR H 2.800 . 2.800 2.505 2.394 2.713 . 0 0 "[ . 1 . 2 ]" 1
568 2 19 THR HA 2 21 LYS H 5.000 . 5.000 4.426 4.196 4.740 . 0 0 "[ . 1 . 2 ]" 1
569 2 19 THR HA 2 22 ASP H 5.000 . 5.000 4.718 4.599 4.916 . 0 0 "[ . 1 . 2 ]" 1
570 2 19 THR HA 2 62 HIS HA 2.800 . 2.800 2.876 2.829 2.905 0.105 16 0 "[ . 1 . 2 ]" 1
571 2 19 THR HB 2 20 THR H 3.400 . 3.400 2.628 2.266 2.869 . 0 0 "[ . 1 . 2 ]" 1
572 2 19 THR HB 2 21 LYS H 5.000 . 5.000 3.211 2.406 3.604 . 0 0 "[ . 1 . 2 ]" 1
573 2 19 THR HB 2 22 ASP H 5.000 . 5.000 3.631 2.586 3.999 . 0 0 "[ . 1 . 2 ]" 1
574 2 19 THR MG 2 20 THR H 5.000 . 5.500 3.906 3.131 4.169 . 0 0 "[ . 1 . 2 ]" 1
575 2 19 THR MG 2 21 LYS H 5.000 . 5.500 4.399 3.920 4.591 . 0 0 "[ . 1 . 2 ]" 1
576 2 19 THR MG 2 22 ASP H 5.000 . 5.500 3.772 3.463 4.089 . 0 0 "[ . 1 . 2 ]" 1
577 2 19 THR MG 2 57 ILE MG 6.000 . 7.000 4.741 4.236 4.869 . 0 0 "[ . 1 . 2 ]" 1
578 2 19 THR MG 2 60 LYS HB2 5.000 . 5.500 4.321 4.172 4.580 . 0 0 "[ . 1 . 2 ]" 1
579 2 19 THR MG 2 60 LYS HB3 5.000 . 5.500 3.386 3.026 3.584 . 0 0 "[ . 1 . 2 ]" 1
580 2 19 THR MG 2 60 LYS QG 5.000 . 6.000 2.070 1.893 2.261 . 0 0 "[ . 1 . 2 ]" 1
581 2 19 THR MG 2 62 HIS HA 5.000 . 5.500 2.369 1.967 2.938 . 0 0 "[ . 1 . 2 ]" 1
582 2 20 THR H 2 21 LYS H 3.400 . 3.400 2.680 2.490 2.866 . 0 0 "[ . 1 . 2 ]" 1
583 2 20 THR H 2 22 ASP H 5.000 . 5.000 4.309 4.045 4.553 . 0 0 "[ . 1 . 2 ]" 1
584 2 20 THR HA 2 20 THR MG 2.800 . 3.300 2.140 1.981 2.248 . 0 0 "[ . 1 . 2 ]" 1
585 2 20 THR HA 2 21 LYS H 3.400 . 3.400 3.485 3.456 3.508 0.108 8 0 "[ . 1 . 2 ]" 1
586 2 20 THR HA 2 22 ASP H 5.000 . 5.000 4.725 4.595 4.947 . 0 0 "[ . 1 . 2 ]" 1
587 2 20 THR HA 2 23 LEU H 3.400 . 3.400 3.450 3.408 3.523 0.123 21 0 "[ . 1 . 2 ]" 1
588 2 20 THR HA 2 23 LEU QD 5.000 . 5.500 2.944 1.816 3.405 . 0 0 "[ . 1 . 2 ]" 1
589 2 20 THR HA 2 24 LEU H 5.000 . 5.000 4.212 3.806 4.621 . 0 0 "[ . 1 . 2 ]" 1
590 2 20 THR HB 2 21 LYS H 5.000 . 5.000 3.161 2.590 3.563 . 0 0 "[ . 1 . 2 ]" 1
591 2 20 THR MG 2 21 LYS H 5.000 . 5.500 4.161 3.978 4.294 . 0 0 "[ . 1 . 2 ]" 1
592 2 20 THR MG 2 23 LEU QD 5.000 . 6.000 3.459 2.662 3.733 . 0 0 "[ . 1 . 2 ]" 1
593 2 20 THR MG 2 43 LEU MD1 5.000 . 6.000 4.171 4.057 4.202 . 0 0 "[ . 1 . 2 ]" 1
594 2 20 THR MG 2 43 LEU MD2 5.000 . 6.000 3.909 3.391 4.188 . 0 0 "[ . 1 . 2 ]" 1
595 2 20 THR MG 2 47 LEU MD2 6.000 . 7.000 2.201 1.704 2.666 0.096 5 0 "[ . 1 . 2 ]" 1
596 2 20 THR MG 2 63 PHE QE 5.000 . 6.000 2.473 1.909 3.267 . 0 0 "[ . 1 . 2 ]" 1
597 2 20 THR MG 2 63 PHE HZ 5.000 . 5.500 2.912 1.894 3.862 . 0 0 "[ . 1 . 2 ]" 1
598 2 21 LYS H 2 21 LYS QB 3.400 . 3.400 2.694 2.623 2.918 . 0 0 "[ . 1 . 2 ]" 1
599 2 21 LYS H 2 21 LYS QD 2.800 . 3.300 1.993 1.585 2.543 0.215 12 0 "[ . 1 . 2 ]" 1
600 2 21 LYS H 2 21 LYS HG3 5.000 . 5.000 2.608 2.117 3.597 . 0 0 "[ . 1 . 2 ]" 1
601 2 21 LYS H 2 22 ASP H 2.800 . 2.800 2.647 2.434 2.819 0.019 18 0 "[ . 1 . 2 ]" 1
602 2 21 LYS H 2 24 LEU HG 5.000 . 5.000 4.566 4.259 5.007 0.007 11 0 "[ . 1 . 2 ]" 1
603 2 21 LYS HA 2 22 ASP H 5.000 . 5.000 3.539 3.503 3.555 . 0 0 "[ . 1 . 2 ]" 1
604 2 21 LYS QB 2 22 ASP H 2.800 . 3.300 2.395 2.067 3.067 . 0 0 "[ . 1 . 2 ]" 1
605 2 21 LYS QD 2 22 ASP H 2.800 . 3.300 2.987 2.956 3.058 . 0 0 "[ . 1 . 2 ]" 1
606 2 21 LYS QD 2 22 ASP HB2 5.000 . 5.500 4.584 4.354 4.671 . 0 0 "[ . 1 . 2 ]" 1
607 2 21 LYS QD 2 22 ASP HB3 5.000 . 5.500 4.908 4.880 4.921 . 0 0 "[ . 1 . 2 ]" 1
608 2 21 LYS QE 2 21 LYS HG2 3.400 . 3.900 2.864 2.676 3.289 . 0 0 "[ . 1 . 2 ]" 1
609 2 21 LYS QE 2 21 LYS HG3 2.800 . 3.300 2.155 1.975 3.026 . 0 0 "[ . 1 . 2 ]" 1
610 2 21 LYS HG2 2 22 ASP H 5.000 . 5.000 4.199 1.742 4.845 0.058 15 0 "[ . 1 . 2 ]" 1
611 2 22 ASP H 2 22 ASP HA 2.800 . 2.800 2.797 2.756 2.815 0.015 14 0 "[ . 1 . 2 ]" 1
612 2 22 ASP H 2 22 ASP HB2 2.800 . 2.800 2.497 2.448 2.545 . 0 0 "[ . 1 . 2 ]" 1
613 2 22 ASP H 2 22 ASP HB3 2.800 . 2.800 2.556 2.504 2.634 . 0 0 "[ . 1 . 2 ]" 1
614 2 22 ASP H 2 23 LEU H 3.400 . 3.400 2.718 2.628 2.857 . 0 0 "[ . 1 . 2 ]" 1
615 2 22 ASP HA 2 23 LEU H 5.000 . 5.000 3.493 3.450 3.549 . 0 0 "[ . 1 . 2 ]" 1
616 2 22 ASP HA 2 24 LEU H 6.000 . 6.000 4.507 4.287 4.788 . 0 0 "[ . 1 . 2 ]" 1
617 2 22 ASP HA 2 25 LYS H 5.000 . 5.000 3.677 3.099 4.156 . 0 0 "[ . 1 . 2 ]" 1
618 2 22 ASP HA 2 25 LYS QB 2.800 . 3.300 2.550 1.996 2.958 . 0 0 "[ . 1 . 2 ]" 1
619 2 22 ASP HB2 2 23 LEU H 5.000 . 5.000 4.100 3.939 4.225 . 0 0 "[ . 1 . 2 ]" 1
620 2 22 ASP HB3 2 23 LEU H 3.400 . 3.400 2.985 2.663 3.169 . 0 0 "[ . 1 . 2 ]" 1
621 2 23 LEU H 2 23 LEU HB2 3.400 . 3.400 2.220 2.111 2.418 . 0 0 "[ . 1 . 2 ]" 1
622 2 23 LEU H 2 23 LEU HG 5.000 . 5.000 3.803 2.713 4.313 . 0 0 "[ . 1 . 2 ]" 1
623 2 23 LEU H 2 24 LEU H 3.400 . 3.400 2.536 2.350 2.712 . 0 0 "[ . 1 . 2 ]" 1
624 2 23 LEU HA 2 23 LEU HG 3.400 . 3.400 2.418 2.220 2.995 . 0 0 "[ . 1 . 2 ]" 1
625 2 23 LEU HA 2 24 LEU H 3.400 . 3.400 3.501 3.482 3.525 0.125 16 0 "[ . 1 . 2 ]" 1
626 2 23 LEU HA 2 24 LEU HB3 6.000 . 6.000 5.833 5.722 5.943 . 0 0 "[ . 1 . 2 ]" 1
627 2 23 LEU HA 2 25 LYS H 5.000 . 5.000 4.724 4.383 5.032 0.032 3 0 "[ . 1 . 2 ]" 1
628 2 23 LEU HA 2 26 LYS H 5.000 . 5.000 4.272 3.887 4.604 . 0 0 "[ . 1 . 2 ]" 1
629 2 23 LEU HA 2 47 LEU MD1 6.000 . 6.500 5.486 5.452 5.514 . 0 0 "[ . 1 . 2 ]" 1
630 2 23 LEU HA 2 47 LEU MD2 6.000 . 6.500 5.281 5.051 5.432 . 0 0 "[ . 1 . 2 ]" 1
631 2 23 LEU HB2 2 24 LEU H 3.400 . 3.400 3.235 2.518 3.495 0.095 9 0 "[ . 1 . 2 ]" 1
632 2 23 LEU HB2 2 26 LYS QE 6.000 . 6.500 5.554 4.208 5.806 . 0 0 "[ . 1 . 2 ]" 1
633 2 23 LEU HB3 2 43 LEU MD2 2.800 . 3.300 2.174 1.896 2.773 . 0 0 "[ . 1 . 2 ]" 1
634 2 23 LEU HB3 2 47 LEU MD2 5.000 . 5.500 2.972 2.781 3.321 . 0 0 "[ . 1 . 2 ]" 1
635 2 23 LEU QD 2 24 LEU H 5.000 . 5.500 3.803 3.509 4.102 . 0 0 "[ . 1 . 2 ]" 1
636 2 23 LEU QD 2 26 LYS HG3 6.000 . 6.500 4.323 3.518 4.851 . 0 0 "[ . 1 . 2 ]" 1
637 2 23 LEU QD 2 27 PHE QE 6.000 . 7.500 2.598 1.983 4.011 . 0 0 "[ . 1 . 2 ]" 1
638 2 23 LEU QD 2 43 LEU MD1 5.000 . 6.000 2.092 1.685 2.596 0.115 5 0 "[ . 1 . 2 ]" 1
639 2 23 LEU QD 2 43 LEU MD2 5.000 . 6.000 2.369 1.818 2.980 . 0 0 "[ . 1 . 2 ]" 1
640 2 23 LEU QD 2 47 LEU MD1 5.000 . 6.000 1.729 1.610 1.860 0.190 16 0 "[ . 1 . 2 ]" 1
641 2 23 LEU QD 2 47 LEU MD2 5.000 . 6.000 2.089 1.760 2.432 0.040 13 0 "[ . 1 . 2 ]" 1
642 2 23 LEU QD 2 63 PHE QD 5.000 . 6.500 3.797 3.096 3.997 . 0 0 "[ . 1 . 2 ]" 1
643 2 23 LEU QD 2 63 PHE QE 5.000 . 6.000 3.373 1.808 3.976 . 0 0 "[ . 1 . 2 ]" 1
644 2 23 LEU HG 2 24 LEU H 5.000 . 5.000 4.913 4.578 5.085 0.085 3 0 "[ . 1 . 2 ]" 1
645 2 23 LEU HG 2 43 LEU MD2 6.000 . 6.500 4.342 4.115 4.582 . 0 0 "[ . 1 . 2 ]" 1
646 2 23 LEU HG 2 47 LEU MD1 5.000 . 5.500 4.045 3.529 4.304 . 0 0 "[ . 1 . 2 ]" 1
647 2 24 LEU H 2 24 LEU HA 2.800 . 2.800 2.865 2.839 2.872 0.072 9 0 "[ . 1 . 2 ]" 1
648 2 24 LEU H 2 24 LEU HG 2.800 . 2.800 1.827 1.735 2.012 0.065 21 0 "[ . 1 . 2 ]" 1
649 2 24 LEU H 2 25 LYS H 2.800 . 2.800 2.478 2.377 2.650 . 0 0 "[ . 1 . 2 ]" 1
650 2 24 LEU HA 2 24 LEU HG 3.400 . 3.400 3.550 3.530 3.568 0.168 5 0 "[ . 1 . 2 ]" 1
651 2 24 LEU HA 2 27 PHE QE 6.000 . 7.500 4.778 4.360 5.364 . 0 0 "[ . 1 . 2 ]" 1
652 2 24 LEU HB3 2 40 VAL HA 6.000 . 6.000 3.335 2.888 3.808 . 0 0 "[ . 1 . 2 ]" 1
653 2 24 LEU HB3 2 43 LEU MD1 6.000 . 6.500 4.063 1.828 4.431 . 0 0 "[ . 1 . 2 ]" 1
654 2 24 LEU HB3 2 43 LEU MD2 5.000 . 5.500 1.927 1.709 4.287 0.091 6 0 "[ . 1 . 2 ]" 1
655 2 24 LEU HG 2 25 LYS H 5.000 . 5.000 2.315 1.968 3.238 . 0 0 "[ . 1 . 2 ]" 1
656 2 25 LYS H 2 25 LYS HA 2.800 . 2.800 2.741 2.713 2.787 . 0 0 "[ . 1 . 2 ]" 1
657 2 25 LYS H 2 25 LYS QB 2.800 . 3.300 2.319 2.124 2.575 . 0 0 "[ . 1 . 2 ]" 1
658 2 25 LYS H 2 25 LYS QD 2.800 . 3.300 2.948 2.740 2.996 . 0 0 "[ . 1 . 2 ]" 1
659 2 25 LYS H 2 25 LYS QE 5.000 . 5.500 4.521 4.014 4.918 . 0 0 "[ . 1 . 2 ]" 1
660 2 25 LYS H 2 25 LYS HG3 3.400 . 3.400 3.430 3.307 3.494 0.094 9 0 "[ . 1 . 2 ]" 1
661 2 25 LYS H 2 26 LYS H 2.800 . 2.800 2.829 2.702 2.906 0.106 13 0 "[ . 1 . 2 ]" 1
662 2 25 LYS H 2 27 PHE QD 6.000 . 7.000 5.649 5.407 5.840 . 0 0 "[ . 1 . 2 ]" 1
663 2 25 LYS HA 2 25 LYS QD 3.400 . 3.900 2.903 2.031 3.541 . 0 0 "[ . 1 . 2 ]" 1
664 2 25 LYS HA 2 26 LYS H 5.000 . 5.000 3.493 3.462 3.572 . 0 0 "[ . 1 . 2 ]" 1
665 2 25 LYS HA 2 27 PHE H 5.000 . 5.000 4.612 4.385 4.959 . 0 0 "[ . 1 . 2 ]" 1
666 2 25 LYS HA 2 28 GLN H 5.000 . 5.000 3.973 3.408 4.606 . 0 0 "[ . 1 . 2 ]" 1
667 2 25 LYS HB2 2 26 LYS H 5.000 . 5.000 3.033 2.592 3.243 . 0 0 "[ . 1 . 2 ]" 1
668 2 25 LYS QE 2 25 LYS HG2 2.800 . 3.300 2.414 1.982 2.864 . 0 0 "[ . 1 . 2 ]" 1
669 2 25 LYS QE 2 25 LYS HG3 2.800 . 3.300 2.550 2.116 2.942 . 0 0 "[ . 1 . 2 ]" 1
670 2 26 LYS H 2 26 LYS HA 2.800 . 2.800 2.865 2.806 2.904 0.104 13 0 "[ . 1 . 2 ]" 1
671 2 26 LYS H 2 26 LYS QB 2.800 . 3.300 2.640 2.050 2.906 . 0 0 "[ . 1 . 2 ]" 1
672 2 26 LYS H 2 26 LYS HD3 5.000 . 5.000 4.221 3.181 4.607 . 0 0 "[ . 1 . 2 ]" 1
673 2 26 LYS H 2 26 LYS HG2 5.000 . 5.000 2.610 2.252 3.707 . 0 0 "[ . 1 . 2 ]" 1
674 2 26 LYS H 2 26 LYS HG3 5.000 . 5.000 2.765 1.794 4.524 0.006 15 0 "[ . 1 . 2 ]" 1
675 2 26 LYS H 2 27 PHE H 2.800 . 2.800 2.487 2.240 2.717 . 0 0 "[ . 1 . 2 ]" 1
676 2 26 LYS HA 2 26 LYS QE 5.000 . 5.500 4.679 4.233 4.938 . 0 0 "[ . 1 . 2 ]" 1
677 2 26 LYS HA 2 26 LYS HG3 3.900 2.300 3.900 3.639 3.493 3.948 0.048 13 0 "[ . 1 . 2 ]" 1
678 2 26 LYS HA 2 27 PHE H 5.000 . 5.000 3.547 3.513 3.564 . 0 0 "[ . 1 . 2 ]" 1
679 2 26 LYS QB 2 27 PHE H 5.000 . 5.500 3.321 3.074 3.465 . 0 0 "[ . 1 . 2 ]" 1
680 2 26 LYS HD2 2 27 PHE H 5.000 . 5.000 4.411 3.475 4.837 . 0 0 "[ . 1 . 2 ]" 1
681 2 26 LYS QE 2 26 LYS HG3 2.800 . 3.300 2.298 1.957 3.119 . 0 0 "[ . 1 . 2 ]" 1
682 2 26 LYS QE 2 28 GLN H 5.000 . 5.500 4.923 4.736 5.083 . 0 0 "[ . 1 . 2 ]" 1
683 2 26 LYS HG2 2 28 GLN H 6.000 . 6.000 5.488 4.140 6.050 0.050 1 0 "[ . 1 . 2 ]" 1
684 2 26 LYS HG3 2 28 GLN H 6.000 . 6.000 4.864 4.330 6.122 0.122 7 0 "[ . 1 . 2 ]" 1
685 2 27 PHE H 2 27 PHE HB2 3.400 . 3.400 2.176 2.133 2.206 . 0 0 "[ . 1 . 2 ]" 1
686 2 27 PHE H 2 27 PHE HB3 3.400 . 3.400 3.480 3.454 3.499 0.099 19 0 "[ . 1 . 2 ]" 1
687 2 27 PHE H 2 27 PHE QE 5.000 . 6.000 4.950 4.923 4.992 . 0 0 "[ . 1 . 2 ]" 1
688 2 27 PHE H 2 28 GLN H 2.800 . 2.800 2.685 2.480 2.829 0.029 4 0 "[ . 1 . 2 ]" 1
689 2 27 PHE HA 2 27 PHE QE 6.000 . 7.000 4.267 4.129 4.337 . 0 0 "[ . 1 . 2 ]" 1
690 2 27 PHE HA 2 28 GLN H 3.400 . 3.400 3.451 3.228 3.514 0.114 3 0 "[ . 1 . 2 ]" 1
691 2 27 PHE HA 2 32 THR MG 5.000 . 5.500 3.401 2.248 4.309 . 0 0 "[ . 1 . 2 ]" 1
692 2 27 PHE HB2 2 32 THR MG 5.000 . 5.500 4.293 3.583 4.594 . 0 0 "[ . 1 . 2 ]" 1
693 2 27 PHE HB3 2 28 GLN H 5.000 . 5.000 3.243 2.600 4.178 . 0 0 "[ . 1 . 2 ]" 1
694 2 27 PHE QD 2 43 LEU MD1 5.000 . 6.500 3.515 2.398 4.224 . 0 0 "[ . 1 . 2 ]" 1
695 2 27 PHE QD 2 43 LEU MD2 6.000 . 7.500 2.800 1.837 3.936 . 0 0 "[ . 1 . 2 ]" 1
696 2 27 PHE QE 2 32 THR MG 6.000 . 7.500 3.507 2.235 4.334 . 0 0 "[ . 1 . 2 ]" 1
697 2 27 PHE QE 2 43 LEU MD1 5.000 . 6.500 3.319 2.852 4.289 . 0 0 "[ . 1 . 2 ]" 1
698 2 27 PHE QE 2 43 LEU MD2 6.000 . 7.500 3.669 2.656 5.049 . 0 0 "[ . 1 . 2 ]" 1
699 2 28 GLN H 2 28 GLN HA 2.800 . 2.800 2.567 2.276 2.862 0.062 20 0 "[ . 1 . 2 ]" 1
700 2 28 GLN H 2 29 THR H 5.000 . 5.000 4.537 4.425 4.626 . 0 0 "[ . 1 . 2 ]" 1
701 2 28 GLN HA 2 29 THR H 5.000 . 5.000 2.372 2.141 2.522 . 0 0 "[ . 1 . 2 ]" 1
702 2 28 GLN HA 2 30 LYS H 5.000 . 5.000 3.973 3.364 4.786 . 0 0 "[ . 1 . 2 ]" 1
703 2 28 GLN HA 2 36 SER HA 6.000 . 6.000 3.634 2.891 4.365 . 0 0 "[ . 1 . 2 ]" 1
704 2 28 GLN HA 2 36 SER QB 5.000 . 6.000 4.768 3.973 5.327 . 0 0 "[ . 1 . 2 ]" 1
705 2 28 GLN HA 2 39 THR HA 6.000 . 6.000 5.960 5.203 6.045 0.045 7 0 "[ . 1 . 2 ]" 1
706 2 28 GLN HE21 2 28 GLN QG 2.800 . 3.300 2.388 2.091 2.677 . 0 0 "[ . 1 . 2 ]" 1
707 2 30 LYS H 2 30 LYS QB 2.800 . 3.300 2.261 2.066 2.968 . 0 0 "[ . 1 . 2 ]" 1
708 2 30 LYS HA 2 30 LYS QD 2.800 . 3.300 2.410 1.951 2.941 . 0 0 "[ . 1 . 2 ]" 1
709 2 30 LYS HA 2 30 LYS QE 5.000 . 5.500 4.040 3.139 4.456 . 0 0 "[ . 1 . 2 ]" 1
710 2 30 LYS HA 2 30 LYS QG 2.800 . 3.300 2.473 2.153 2.939 . 0 0 "[ . 1 . 2 ]" 1
711 2 30 LYS HA 2 31 LYS H 5.000 . 5.000 3.497 3.051 3.585 . 0 0 "[ . 1 . 2 ]" 1
712 2 31 LYS H 2 32 THR H 5.000 . 5.000 2.163 1.781 2.898 0.019 10 0 "[ . 1 . 2 ]" 1
713 2 31 LYS H 2 33 GLY H 5.000 . 5.000 3.028 2.753 3.963 . 0 0 "[ . 1 . 2 ]" 1
714 2 31 LYS HA 2 31 LYS QD 2.800 . 3.300 2.747 2.019 2.954 . 0 0 "[ . 1 . 2 ]" 1
715 2 31 LYS HA 2 31 LYS QG 2.800 . 3.300 2.374 2.093 2.646 . 0 0 "[ . 1 . 2 ]" 1
716 2 31 LYS HA 2 32 THR H 5.000 . 5.000 3.530 3.472 3.565 . 0 0 "[ . 1 . 2 ]" 1
717 2 31 LYS HA 2 34 LEU H 6.000 . 6.000 6.095 6.056 6.158 0.158 20 0 "[ . 1 . 2 ]" 1
718 2 31 LYS QB 2 31 LYS QD 2.800 . 3.800 2.162 1.932 2.802 . 0 0 "[ . 1 . 2 ]" 1
719 2 31 LYS QB 2 32 THR H 2.800 . 3.300 2.506 1.948 2.942 . 0 0 "[ . 1 . 2 ]" 1
720 2 31 LYS QB 2 33 GLY H 5.000 . 5.500 4.276 3.944 4.607 . 0 0 "[ . 1 . 2 ]" 1
721 2 32 THR H 2 33 GLY H 2.800 . 2.800 2.778 2.706 2.831 0.031 10 0 "[ . 1 . 2 ]" 1
722 2 32 THR HA 2 32 THR HB 2.800 . 2.800 2.467 2.362 2.910 0.110 17 0 "[ . 1 . 2 ]" 1
723 2 32 THR HA 2 32 THR MG 2.800 . 3.300 2.417 2.008 2.548 . 0 0 "[ . 1 . 2 ]" 1
724 2 32 THR HA 2 33 GLY H 5.000 . 5.000 3.399 3.159 3.476 . 0 0 "[ . 1 . 2 ]" 1
725 2 32 THR HB 2 33 GLY H 5.000 . 5.000 4.116 3.365 4.455 . 0 0 "[ . 1 . 2 ]" 1
726 2 32 THR HB 2 34 LEU H 5.000 . 5.000 3.433 2.349 3.994 . 0 0 "[ . 1 . 2 ]" 1
727 2 32 THR HB 2 34 LEU HB3 5.000 . 5.000 4.360 2.848 5.007 0.007 8 0 "[ . 1 . 2 ]" 1
728 2 32 THR HB 2 34 LEU QD 5.000 . 5.500 2.844 2.314 3.754 . 0 0 "[ . 1 . 2 ]" 1
729 2 32 THR MG 2 33 GLY H 6.000 . 6.500 4.066 3.840 4.364 . 0 0 "[ . 1 . 2 ]" 1
730 2 32 THR MG 2 34 LEU H 5.000 . 5.500 4.112 3.891 4.405 . 0 0 "[ . 1 . 2 ]" 1
731 2 32 THR MG 2 34 LEU HB2 5.000 . 5.500 3.772 3.075 4.166 . 0 0 "[ . 1 . 2 ]" 1
732 2 32 THR MG 2 34 LEU QD 5.000 . 6.000 3.567 2.704 3.718 . 0 0 "[ . 1 . 2 ]" 1
733 2 33 GLY H 2 33 GLY HA2 2.800 . 2.800 2.295 2.293 2.301 . 0 0 "[ . 1 . 2 ]" 1
734 2 33 GLY H 2 33 GLY HA3 2.800 . 2.800 2.820 2.780 2.837 0.037 15 0 "[ . 1 . 2 ]" 1
735 2 33 GLY H 2 34 LEU H 3.400 . 3.400 2.580 2.523 2.702 . 0 0 "[ . 1 . 2 ]" 1
736 2 33 GLY HA2 2 34 LEU H 3.400 . 3.400 3.059 3.011 3.113 . 0 0 "[ . 1 . 2 ]" 1
737 2 33 GLY HA3 2 34 LEU H 3.400 . 3.400 3.406 3.389 3.434 0.034 8 0 "[ . 1 . 2 ]" 1
738 2 33 GLY HA3 2 35 SER H 6.000 . 6.000 6.033 6.009 6.071 0.071 10 0 "[ . 1 . 2 ]" 1
739 2 34 LEU H 2 34 LEU HA 2.800 . 2.800 2.909 2.876 2.922 0.122 17 0 "[ . 1 . 2 ]" 1
740 2 34 LEU H 2 34 LEU HB3 3.400 . 3.400 3.255 2.620 3.434 0.034 8 0 "[ . 1 . 2 ]" 1
741 2 34 LEU H 2 34 LEU HG 5.000 . 5.000 4.438 3.661 4.736 . 0 0 "[ . 1 . 2 ]" 1
742 2 34 LEU H 2 35 SER H 5.000 . 5.000 4.389 4.281 4.508 . 0 0 "[ . 1 . 2 ]" 1
743 2 34 LEU HA 2 34 LEU QD 2.800 . 3.300 2.234 1.966 2.458 . 0 0 "[ . 1 . 2 ]" 1
744 2 34 LEU HA 2 34 LEU HG 3.400 . 3.400 2.570 2.274 3.121 . 0 0 "[ . 1 . 2 ]" 1
745 2 34 LEU HA 2 35 SER H 2.800 . 2.800 2.126 2.107 2.147 . 0 0 "[ . 1 . 2 ]" 1
746 2 34 LEU HA 2 38 GLN H 6.000 . 6.000 5.844 5.486 6.028 0.028 2 0 "[ . 1 . 2 ]" 1
747 2 34 LEU HB3 2 35 SER H 5.000 . 5.000 3.639 3.411 4.197 . 0 0 "[ . 1 . 2 ]" 1
748 2 34 LEU QD 2 35 SER H 5.000 . 5.500 3.481 2.484 3.992 . 0 0 "[ . 1 . 2 ]" 1
749 2 34 LEU QD 2 38 GLN HB3 5.000 . 5.500 2.793 1.812 3.403 . 0 0 "[ . 1 . 2 ]" 1
750 2 34 LEU QD 2 38 GLN HE21 5.000 . 5.500 3.162 2.288 4.081 . 0 0 "[ . 1 . 2 ]" 1
751 2 34 LEU QD 2 38 GLN HE22 5.000 . 5.500 3.931 2.727 4.083 . 0 0 "[ . 1 . 2 ]" 1
752 2 34 LEU QD 2 38 GLN QG 5.000 . 6.000 3.804 2.502 3.975 . 0 0 "[ . 1 . 2 ]" 1
753 2 34 LEU QD 2 39 THR MG 6.000 . 7.000 3.306 2.254 3.582 . 0 0 "[ . 1 . 2 ]" 1
754 2 34 LEU HG 2 35 SER H 5.000 . 5.000 3.612 3.253 4.267 . 0 0 "[ . 1 . 2 ]" 1
755 2 34 LEU HG 2 38 GLN HB2 6.000 . 6.000 3.956 3.304 5.667 . 0 0 "[ . 1 . 2 ]" 1
756 2 34 LEU HG 2 38 GLN HB3 5.000 . 5.000 2.803 2.121 4.335 . 0 0 "[ . 1 . 2 ]" 1
757 2 34 LEU HG 2 38 GLN QG 5.000 . 5.500 4.356 3.828 4.911 . 0 0 "[ . 1 . 2 ]" 1
758 2 35 SER H 2 35 SER HB2 3.400 . 3.400 2.082 2.065 2.098 . 0 0 "[ . 1 . 2 ]" 1
759 2 35 SER H 2 35 SER HB3 3.400 . 3.400 3.260 3.170 3.340 . 0 0 "[ . 1 . 2 ]" 1
760 2 35 SER H 2 37 GLU QG 6.000 . 7.000 6.239 6.136 6.253 . 0 0 "[ . 1 . 2 ]" 1
761 2 35 SER H 2 38 GLN H 6.000 . 6.000 4.215 3.944 4.444 . 0 0 "[ . 1 . 2 ]" 1
762 2 35 SER H 2 38 GLN HB2 6.000 . 6.000 2.911 2.489 3.327 . 0 0 "[ . 1 . 2 ]" 1
763 2 35 SER H 2 38 GLN QG 6.000 . 6.500 4.639 4.194 4.947 . 0 0 "[ . 1 . 2 ]" 1
764 2 35 SER HA 2 35 SER HB3 2.800 . 2.800 2.884 2.857 2.909 0.109 13 0 "[ . 1 . 2 ]" 1
765 2 35 SER HB2 2 37 GLU H 5.000 . 5.000 3.987 3.901 4.045 . 0 0 "[ . 1 . 2 ]" 1
766 2 35 SER HB3 2 37 GLU H 3.400 . 3.400 2.246 2.154 2.316 . 0 0 "[ . 1 . 2 ]" 1
767 2 35 SER HB3 2 38 GLN H 6.000 . 6.000 1.900 1.856 1.969 . 0 0 "[ . 1 . 2 ]" 1
768 2 35 SER HB3 2 39 THR H 6.000 . 6.000 3.625 3.561 3.707 . 0 0 "[ . 1 . 2 ]" 1
769 2 35 SER HB3 2 40 VAL H 5.500 2.300 5.500 5.579 5.559 5.599 0.099 13 0 "[ . 1 . 2 ]" 1
770 2 36 SER HA 2 37 GLU H 3.400 . 3.400 3.435 3.421 3.447 0.047 7 0 "[ . 1 . 2 ]" 1
771 2 36 SER HA 2 38 GLN H 5.000 . 5.000 4.824 4.655 4.984 . 0 0 "[ . 1 . 2 ]" 1
772 2 36 SER HA 2 39 THR MG 6.000 . 6.500 4.068 3.777 4.338 . 0 0 "[ . 1 . 2 ]" 1
773 2 36 SER HA 2 40 VAL MG2 5.000 . 5.500 4.070 3.935 4.212 . 0 0 "[ . 1 . 2 ]" 1
774 2 37 GLU H 2 37 GLU HA 2.800 . 2.800 2.884 2.867 2.895 0.095 10 0 "[ . 1 . 2 ]" 1
775 2 37 GLU H 2 37 GLU HB2 4.000 . 4.000 2.762 2.640 3.046 . 0 0 "[ . 1 . 2 ]" 1
776 2 37 GLU H 2 38 GLN H 3.400 . 3.400 2.339 2.201 2.487 . 0 0 "[ . 1 . 2 ]" 1
777 2 37 GLU HA 2 37 GLU QG 2.800 . 3.300 2.629 2.526 2.693 . 0 0 "[ . 1 . 2 ]" 1
778 2 37 GLU HA 2 38 GLN H 3.400 . 3.400 3.512 3.494 3.527 0.127 19 0 "[ . 1 . 2 ]" 1
779 2 37 GLU HA 2 40 VAL H 5.000 . 5.000 3.629 3.581 3.724 . 0 0 "[ . 1 . 2 ]" 1
780 2 37 GLU HA 2 40 VAL HB 5.000 . 5.000 3.586 3.467 3.785 . 0 0 "[ . 1 . 2 ]" 1
781 2 37 GLU HA 2 40 VAL MG1 5.000 . 5.500 4.593 4.582 4.605 . 0 0 "[ . 1 . 2 ]" 1
782 2 37 GLU HB2 2 38 GLN H 5.000 . 5.000 2.500 2.226 3.899 . 0 0 "[ . 1 . 2 ]" 1
783 2 37 GLU HB3 2 38 GLN H 5.000 . 5.000 3.699 2.542 3.963 . 0 0 "[ . 1 . 2 ]" 1
784 2 37 GLU QG 2 38 GLN H 5.000 . 5.500 3.473 2.842 3.616 . 0 0 "[ . 1 . 2 ]" 1
785 2 37 GLU QG 2 38 GLN HA 6.000 . 6.500 5.436 3.126 5.630 . 0 0 "[ . 1 . 2 ]" 1
786 2 38 GLN H 2 38 GLN HA 2.800 . 2.800 2.810 2.799 2.833 0.033 2 0 "[ . 1 . 2 ]" 1
787 2 38 GLN H 2 38 GLN HB2 2.800 . 2.800 2.115 2.080 2.139 . 0 0 "[ . 1 . 2 ]" 1
788 2 38 GLN H 2 38 GLN HB3 3.400 . 3.400 3.376 3.167 3.441 0.041 10 0 "[ . 1 . 2 ]" 1
789 2 38 GLN H 2 39 THR H 2.800 . 2.800 2.648 2.565 2.707 . 0 0 "[ . 1 . 2 ]" 1
790 2 38 GLN HA 2 38 GLN QG 2.800 . 3.300 2.169 2.018 2.246 . 0 0 "[ . 1 . 2 ]" 1
791 2 38 GLN HA 2 39 THR H 5.000 . 5.000 3.538 3.523 3.552 . 0 0 "[ . 1 . 2 ]" 1
792 2 38 GLN HA 2 41 ASN H 5.000 . 5.000 2.872 2.799 3.066 . 0 0 "[ . 1 . 2 ]" 1
793 2 38 GLN HA 2 41 ASN HB2 5.000 . 5.000 3.191 2.946 3.534 . 0 0 "[ . 1 . 2 ]" 1
794 2 38 GLN HA 2 41 ASN HB3 6.000 . 6.000 2.008 1.901 2.190 . 0 0 "[ . 1 . 2 ]" 1
795 2 38 GLN HA 2 41 ASN HD21 5.000 . 5.000 3.041 2.680 3.248 . 0 0 "[ . 1 . 2 ]" 1
796 2 38 GLN HA 2 41 ASN HD22 5.000 . 5.000 4.676 4.339 4.880 . 0 0 "[ . 1 . 2 ]" 1
797 2 38 GLN HB2 2 39 THR H 5.000 . 5.000 3.026 2.868 3.295 . 0 0 "[ . 1 . 2 ]" 1
798 2 38 GLN HB2 2 39 THR HB 6.000 . 6.000 5.566 5.433 5.828 . 0 0 "[ . 1 . 2 ]" 1
799 2 38 GLN HB3 2 39 THR H 5.000 . 5.000 3.080 2.715 3.229 . 0 0 "[ . 1 . 2 ]" 1
800 2 38 GLN HB3 2 39 THR HB 6.000 . 6.000 5.496 5.197 5.654 . 0 0 "[ . 1 . 2 ]" 1
801 2 38 GLN HB3 2 41 ASN HD21 5.000 . 5.000 3.919 3.874 4.021 . 0 0 "[ . 1 . 2 ]" 1
802 2 38 GLN HB3 2 41 ASN HD22 5.500 2.300 5.500 5.526 5.521 5.534 0.034 5 0 "[ . 1 . 2 ]" 1
803 2 38 GLN HE21 2 38 GLN QG 2.800 . 3.300 2.539 2.326 2.672 . 0 0 "[ . 1 . 2 ]" 1
804 2 38 GLN HE22 2 38 GLN QG 3.400 . 3.900 3.406 3.336 3.449 . 0 0 "[ . 1 . 2 ]" 1
805 2 38 GLN QG 2 39 THR H 5.000 . 5.500 4.413 4.280 4.467 . 0 0 "[ . 1 . 2 ]" 1
806 2 38 GLN QG 2 41 ASN HA 6.000 . 6.500 5.802 5.791 5.812 . 0 0 "[ . 1 . 2 ]" 1
807 2 39 THR H 2 40 VAL H 3.400 . 3.400 2.703 2.666 2.751 . 0 0 "[ . 1 . 2 ]" 1
808 2 39 THR H 2 41 ASN H 5.000 . 5.000 4.168 4.101 4.326 . 0 0 "[ . 1 . 2 ]" 1
809 2 39 THR HA 2 39 THR MG 2.800 . 3.300 2.383 2.322 2.522 . 0 0 "[ . 1 . 2 ]" 1
810 2 39 THR HA 2 40 VAL H 5.000 . 5.000 3.474 3.461 3.506 . 0 0 "[ . 1 . 2 ]" 1
811 2 39 THR HA 2 42 VAL H 5.000 . 5.000 3.669 3.599 3.747 . 0 0 "[ . 1 . 2 ]" 1
812 2 39 THR HA 2 42 VAL MG1 6.000 . 6.500 2.039 1.907 2.161 . 0 0 "[ . 1 . 2 ]" 1
813 2 39 THR HA 2 42 VAL MG2 6.000 . 6.500 4.446 4.370 4.550 . 0 0 "[ . 1 . 2 ]" 1
814 2 39 THR MG 2 42 VAL MG1 6.000 . 7.000 3.102 2.964 3.205 . 0 0 "[ . 1 . 2 ]" 1
815 2 39 THR MG 2 42 VAL MG2 6.000 . 7.000 4.854 4.812 4.870 . 0 0 "[ . 1 . 2 ]" 1
816 2 39 THR MG 2 43 LEU MD1 6.000 . 7.000 4.265 2.392 4.686 . 0 0 "[ . 1 . 2 ]" 1
817 2 39 THR MG 2 43 LEU MD2 5.000 . 6.000 3.002 2.430 4.183 . 0 0 "[ . 1 . 2 ]" 1
818 2 40 VAL H 2 40 VAL HB 3.440 . 3.440 2.703 2.606 2.842 . 0 0 "[ . 1 . 2 ]" 1
819 2 40 VAL H 2 41 ASN H 2.800 . 2.800 2.373 2.276 2.652 . 0 0 "[ . 1 . 2 ]" 1
820 2 40 VAL HA 2 40 VAL MG2 2.800 . 3.300 2.475 2.391 2.580 . 0 0 "[ . 1 . 2 ]" 1
821 2 40 VAL HA 2 41 ASN H 5.000 . 5.000 3.520 3.506 3.553 . 0 0 "[ . 1 . 2 ]" 1
822 2 40 VAL HA 2 43 LEU HB2 5.500 2.300 5.500 3.000 2.247 3.178 0.053 3 0 "[ . 1 . 2 ]" 1
823 2 40 VAL HA 2 43 LEU MD2 5.000 . 5.500 3.336 2.826 4.682 . 0 0 "[ . 1 . 2 ]" 1
824 2 40 VAL HA 2 44 ALA H 5.000 . 5.000 3.472 3.269 3.669 . 0 0 "[ . 1 . 2 ]" 1
825 2 40 VAL HB 2 41 ASN H 5.000 . 5.000 2.523 2.340 2.593 . 0 0 "[ . 1 . 2 ]" 1
826 2 40 VAL HB 2 42 VAL MG1 6.000 . 6.500 5.434 5.417 5.443 . 0 0 "[ . 1 . 2 ]" 1
827 2 40 VAL MG1 2 41 ASN HA 5.000 . 5.500 3.962 3.814 4.162 . 0 0 "[ . 1 . 2 ]" 1
828 2 40 VAL MG1 2 43 LEU HB2 6.000 . 6.500 4.442 3.781 4.683 . 0 0 "[ . 1 . 2 ]" 1
829 2 40 VAL MG1 2 44 ALA MB 6.000 . 7.000 3.002 2.807 3.147 . 0 0 "[ . 1 . 2 ]" 1
830 2 40 VAL MG2 2 41 ASN H 5.000 . 5.500 3.495 3.323 3.591 . 0 0 "[ . 1 . 2 ]" 1
831 2 40 VAL MG2 2 41 ASN HB2 6.000 . 6.500 5.441 5.429 5.454 . 0 0 "[ . 1 . 2 ]" 1
832 2 40 VAL MG2 2 41 ASN HB3 6.000 . 6.500 5.225 4.946 5.403 . 0 0 "[ . 1 . 2 ]" 1
833 2 40 VAL MG2 2 43 LEU HB2 5.000 . 5.500 4.600 4.194 4.636 . 0 0 "[ . 1 . 2 ]" 1
834 2 41 ASN H 2 41 ASN HA 2.800 . 2.800 2.793 2.754 2.805 0.005 11 0 "[ . 1 . 2 ]" 1
835 2 41 ASN H 2 41 ASN HB2 3.400 . 3.400 2.795 2.700 2.938 . 0 0 "[ . 1 . 2 ]" 1
836 2 41 ASN H 2 41 ASN HB3 2.800 . 2.800 2.224 2.122 2.286 . 0 0 "[ . 1 . 2 ]" 1
837 2 41 ASN H 2 41 ASN HD21 5.000 . 5.000 4.204 3.964 4.331 . 0 0 "[ . 1 . 2 ]" 1
838 2 41 ASN H 2 42 VAL H 3.400 . 3.400 2.628 2.576 2.755 . 0 0 "[ . 1 . 2 ]" 1
839 2 41 ASN H 2 42 VAL HB 6.000 . 6.000 5.219 5.141 5.334 . 0 0 "[ . 1 . 2 ]" 1
840 2 41 ASN H 2 43 LEU H 5.000 . 5.000 3.817 3.725 3.962 . 0 0 "[ . 1 . 2 ]" 1
841 2 41 ASN HA 2 42 VAL H 5.000 . 5.000 3.469 3.455 3.488 . 0 0 "[ . 1 . 2 ]" 1
842 2 41 ASN HA 2 44 ALA H 5.000 . 5.000 3.981 3.864 4.094 . 0 0 "[ . 1 . 2 ]" 1
843 2 41 ASN HA 2 44 ALA MB 5.000 . 5.500 3.394 3.243 3.581 . 0 0 "[ . 1 . 2 ]" 1
844 2 41 ASN HA 2 45 GLN H 5.000 . 5.000 5.008 4.932 5.032 0.032 2 0 "[ . 1 . 2 ]" 1
845 2 41 ASN HB2 2 42 VAL H 5.000 . 5.000 4.189 4.116 4.284 . 0 0 "[ . 1 . 2 ]" 1
846 2 41 ASN HB3 2 42 VAL H 5.000 . 5.000 2.996 2.882 3.156 . 0 0 "[ . 1 . 2 ]" 1
847 2 42 VAL H 2 42 VAL HB 3.400 . 3.400 2.903 2.842 2.982 . 0 0 "[ . 1 . 2 ]" 1
848 2 42 VAL H 2 43 LEU H 2.800 . 2.800 2.193 2.123 2.248 . 0 0 "[ . 1 . 2 ]" 1
849 2 42 VAL H 2 43 LEU HA 5.000 . 5.000 4.784 4.746 4.835 . 0 0 "[ . 1 . 2 ]" 1
850 2 42 VAL HA 2 42 VAL MG2 2.800 . 3.300 2.329 2.262 2.411 . 0 0 "[ . 1 . 2 ]" 1
851 2 42 VAL HA 2 43 LEU H 3.400 . 3.400 3.375 3.337 3.410 0.010 18 0 "[ . 1 . 2 ]" 1
852 2 42 VAL HA 2 45 GLN HB2 5.000 . 5.000 5.036 5.009 5.064 0.064 9 0 "[ . 1 . 2 ]" 1
853 2 42 VAL HA 2 45 GLN HB3 5.000 . 5.000 4.395 4.201 4.633 . 0 0 "[ . 1 . 2 ]" 1
854 2 42 VAL HA 2 45 GLN HG3 5.000 . 5.000 3.151 3.009 3.263 . 0 0 "[ . 1 . 2 ]" 1
855 2 42 VAL MG1 2 42 VAL MG2 2.800 . 3.800 2.013 1.917 2.096 . 0 0 "[ . 1 . 2 ]" 1
856 2 42 VAL MG1 2 43 LEU HA 5.000 . 5.500 3.602 3.398 3.762 . 0 0 "[ . 1 . 2 ]" 1
857 2 42 VAL MG1 2 43 LEU HB2 5.000 . 5.500 3.243 2.988 3.447 . 0 0 "[ . 1 . 2 ]" 1
858 2 42 VAL MG1 2 43 LEU HB3 5.000 . 5.500 4.037 3.808 4.568 . 0 0 "[ . 1 . 2 ]" 1
859 2 42 VAL MG1 2 44 ALA H 5.000 . 5.500 4.531 4.436 4.599 . 0 0 "[ . 1 . 2 ]" 1
860 2 42 VAL MG1 2 46 ILE MD 5.000 . 6.000 4.067 3.669 4.169 . 0 0 "[ . 1 . 2 ]" 1
861 2 42 VAL MG2 2 45 GLN HG3 5.000 . 5.500 3.608 3.492 3.757 . 0 0 "[ . 1 . 2 ]" 1
862 2 42 VAL MG2 2 46 ILE MD 5.000 . 6.000 2.772 2.528 3.027 . 0 0 "[ . 1 . 2 ]" 1
863 2 43 LEU H 2 43 LEU HA 2.800 . 2.800 2.892 2.885 2.898 0.098 11 0 "[ . 1 . 2 ]" 1
864 2 43 LEU HA 2 44 ALA H 5.000 . 5.000 3.517 3.484 3.538 . 0 0 "[ . 1 . 2 ]" 1
865 2 43 LEU HA 2 45 GLN H 5.000 . 5.000 4.133 3.964 4.347 . 0 0 "[ . 1 . 2 ]" 1
866 2 43 LEU HA 2 45 GLN HE22 5.000 . 5.000 5.043 5.019 5.069 0.069 11 0 "[ . 1 . 2 ]" 1
867 2 43 LEU HA 2 46 ILE H 3.400 . 3.400 3.377 3.209 3.459 0.059 4 0 "[ . 1 . 2 ]" 1
868 2 43 LEU HA 2 46 ILE MD 5.000 . 5.500 2.906 2.593 3.235 . 0 0 "[ . 1 . 2 ]" 1
869 2 43 LEU HA 2 47 LEU H 5.000 . 5.000 4.048 3.815 4.402 . 0 0 "[ . 1 . 2 ]" 1
870 2 43 LEU HB2 2 45 GLN H 6.000 . 6.000 5.738 5.472 5.906 . 0 0 "[ . 1 . 2 ]" 1
871 2 43 LEU MD1 2 43 LEU MD2 2.800 . 3.800 2.041 1.920 2.088 . 0 0 "[ . 1 . 2 ]" 1
872 2 43 LEU MD1 2 46 ILE MG 6.000 . 7.000 3.168 2.739 4.861 . 0 0 "[ . 1 . 2 ]" 1
873 2 43 LEU MD1 2 47 LEU MD1 6.000 . 7.000 3.179 2.396 4.044 . 0 0 "[ . 1 . 2 ]" 1
874 2 43 LEU MD1 2 47 LEU MD2 5.000 . 6.000 1.801 1.703 2.590 0.097 6 0 "[ . 1 . 2 ]" 1
875 2 43 LEU MD1 2 47 LEU HG 5.000 . 5.500 4.165 4.023 4.600 . 0 0 "[ . 1 . 2 ]" 1
876 2 43 LEU MD2 2 47 LEU MD2 5.000 . 6.000 2.612 1.621 3.044 0.179 3 0 "[ . 1 . 2 ]" 1
877 2 44 ALA H 2 44 ALA MB 2.800 . 3.300 2.199 2.075 2.240 . 0 0 "[ . 1 . 2 ]" 1
878 2 44 ALA H 2 45 GLN H 2.800 . 2.800 2.776 2.674 2.821 0.021 20 0 "[ . 1 . 2 ]" 1
879 2 44 ALA HA 2 45 GLN H 5.000 . 5.000 3.521 3.503 3.541 . 0 0 "[ . 1 . 2 ]" 1
880 2 44 ALA HA 2 47 LEU H 5.000 . 5.000 3.631 3.423 3.826 . 0 0 "[ . 1 . 2 ]" 1
881 2 44 ALA HA 2 47 LEU MD2 5.000 . 5.500 2.834 2.551 3.039 . 0 0 "[ . 1 . 2 ]" 1
882 2 44 ALA HA 2 48 LYS H 5.000 . 5.000 4.630 4.451 4.874 . 0 0 "[ . 1 . 2 ]" 1
883 2 44 ALA MB 2 45 GLN H 3.400 . 3.400 2.593 2.417 2.737 . 0 0 "[ . 1 . 2 ]" 1
884 2 44 ALA MB 2 47 LEU HB2 5.000 . 5.500 4.129 4.042 4.235 . 0 0 "[ . 1 . 2 ]" 1
885 2 44 ALA MB 2 47 LEU HB3 6.000 . 6.500 5.088 4.763 5.313 . 0 0 "[ . 1 . 2 ]" 1
886 2 44 ALA MB 2 47 LEU MD2 5.000 . 6.000 4.057 3.836 4.168 . 0 0 "[ . 1 . 2 ]" 1
887 2 44 ALA MB 2 47 LEU HG 6.000 . 6.500 5.169 4.810 5.427 . 0 0 "[ . 1 . 2 ]" 1
888 2 45 GLN H 2 45 GLN HA 2.800 . 2.800 2.797 2.759 2.812 0.012 10 0 "[ . 1 . 2 ]" 1
889 2 45 GLN H 2 45 GLN HB2 3.400 . 3.400 3.515 3.495 3.528 0.128 11 0 "[ . 1 . 2 ]" 1
890 2 45 GLN H 2 45 GLN HB3 2.800 . 2.800 2.789 2.676 2.845 0.045 20 0 "[ . 1 . 2 ]" 1
891 2 45 GLN H 2 45 GLN HE21 5.000 . 5.000 4.039 3.820 4.372 . 0 0 "[ . 1 . 2 ]" 1
892 2 45 GLN H 2 45 GLN HG2 3.400 . 3.400 2.583 2.424 2.775 . 0 0 "[ . 1 . 2 ]" 1
893 2 45 GLN H 2 45 GLN HG3 3.400 . 3.400 1.874 1.809 1.956 . 0 0 "[ . 1 . 2 ]" 1
894 2 45 GLN H 2 46 ILE H 2.800 . 2.800 2.680 2.625 2.780 . 0 0 "[ . 1 . 2 ]" 1
895 2 45 GLN H 2 46 ILE HG13 5.000 . 5.000 4.989 4.827 5.028 0.028 16 0 "[ . 1 . 2 ]" 1
896 2 45 GLN H 2 47 LEU H 5.000 . 5.000 4.179 3.968 4.450 . 0 0 "[ . 1 . 2 ]" 1
897 2 45 GLN HA 2 45 GLN HG3 3.400 . 3.400 3.505 3.501 3.510 0.110 6 0 "[ . 1 . 2 ]" 1
898 2 45 GLN HA 2 46 ILE H 5.000 . 5.000 3.527 3.506 3.546 . 0 0 "[ . 1 . 2 ]" 1
899 2 45 GLN HB2 2 45 GLN HG3 2.800 . 2.800 2.789 2.734 2.850 0.050 11 0 "[ . 1 . 2 ]" 1
900 2 45 GLN HB2 2 46 ILE H 3.400 . 3.400 3.438 3.411 3.471 0.071 4 0 "[ . 1 . 2 ]" 1
901 2 45 GLN HB3 2 45 GLN HG3 2.800 . 2.800 2.827 2.769 2.867 0.067 2 0 "[ . 1 . 2 ]" 1
902 2 45 GLN HB3 2 46 ILE H 5.000 . 5.000 4.044 3.956 4.148 . 0 0 "[ . 1 . 2 ]" 1
903 2 46 ILE H 2 46 ILE HA 2.800 . 2.800 2.853 2.840 2.863 0.063 16 0 "[ . 1 . 2 ]" 1
904 2 46 ILE H 2 46 ILE HB 2.800 . 2.800 2.313 2.273 2.384 . 0 0 "[ . 1 . 2 ]" 1
905 2 46 ILE H 2 46 ILE MD 5.000 . 5.500 3.202 3.093 3.312 . 0 0 "[ . 1 . 2 ]" 1
906 2 46 ILE H 2 46 ILE HG13 2.800 . 2.800 2.760 2.592 2.822 0.022 15 0 "[ . 1 . 2 ]" 1
907 2 46 ILE H 2 47 LEU H 3.400 . 3.400 2.554 2.441 2.649 . 0 0 "[ . 1 . 2 ]" 1
908 2 46 ILE HA 2 47 LEU H 5.000 . 5.000 3.531 3.486 3.556 . 0 0 "[ . 1 . 2 ]" 1
909 2 46 ILE HA 2 49 ARG H 3.400 . 3.400 3.413 3.379 3.443 0.043 16 0 "[ . 1 . 2 ]" 1
910 2 46 ILE HA 2 49 ARG QD 5.000 . 5.500 3.223 2.968 3.453 . 0 0 "[ . 1 . 2 ]" 1
911 2 46 ILE HG13 2 49 ARG QD 5.000 . 5.500 4.616 4.387 4.918 . 0 0 "[ . 1 . 2 ]" 1
912 2 46 ILE MG 2 47 LEU H 5.000 . 5.500 3.168 2.933 3.358 . 0 0 "[ . 1 . 2 ]" 1
913 2 46 ILE MG 2 47 LEU HB3 6.000 . 6.500 5.323 5.193 5.419 . 0 0 "[ . 1 . 2 ]" 1
914 2 46 ILE MG 2 47 LEU MD1 6.000 . 7.000 3.976 3.778 4.168 . 0 0 "[ . 1 . 2 ]" 1
915 2 46 ILE MG 2 49 ARG H 5.000 . 5.500 4.008 3.863 4.109 . 0 0 "[ . 1 . 2 ]" 1
916 2 46 ILE MG 2 49 ARG QD 5.000 . 6.000 4.486 4.462 4.524 . 0 0 "[ . 1 . 2 ]" 1
917 2 47 LEU H 2 47 LEU HB2 2.800 . 2.800 2.124 2.045 2.213 . 0 0 "[ . 1 . 2 ]" 1
918 2 47 LEU H 2 47 LEU HB3 3.400 . 3.400 3.405 3.193 3.499 0.099 19 0 "[ . 1 . 2 ]" 1
919 2 47 LEU H 2 47 LEU MD1 5.000 . 5.500 3.782 3.570 3.952 . 0 0 "[ . 1 . 2 ]" 1
920 2 47 LEU H 2 47 LEU HG 5.000 . 5.000 4.275 3.982 4.582 . 0 0 "[ . 1 . 2 ]" 1
921 2 47 LEU H 2 48 LYS H 3.400 . 3.400 3.157 2.960 3.372 . 0 0 "[ . 1 . 2 ]" 1
922 2 47 LEU HA 2 48 LYS H 5.000 . 5.000 3.572 3.544 3.584 . 0 0 "[ . 1 . 2 ]" 1
923 2 47 LEU HA 2 49 ARG H 5.000 . 5.000 4.253 4.042 4.574 . 0 0 "[ . 1 . 2 ]" 1
924 2 47 LEU HB2 2 48 LYS H 5.000 . 5.000 2.860 2.628 3.112 . 0 0 "[ . 1 . 2 ]" 1
925 2 47 LEU HB3 2 48 LYS H 5.000 . 5.000 2.619 2.249 3.028 . 0 0 "[ . 1 . 2 ]" 1
926 2 47 LEU MD1 2 52 PRO HG3 5.000 . 5.500 4.549 4.355 4.612 . 0 0 "[ . 1 . 2 ]" 1
927 2 47 LEU MD1 2 63 PHE HZ 5.000 . 5.500 4.420 2.837 4.603 . 0 0 "[ . 1 . 2 ]" 1
928 2 47 LEU MD2 2 63 PHE QD 6.000 . 7.500 5.089 4.667 5.236 . 0 0 "[ . 1 . 2 ]" 1
929 2 47 LEU MD2 2 63 PHE QE 5.000 . 6.000 4.108 3.392 4.463 . 0 0 "[ . 1 . 2 ]" 1
930 2 47 LEU HG 2 48 LYS H 5.000 . 5.000 4.779 4.468 5.062 0.062 2 0 "[ . 1 . 2 ]" 1
931 2 48 LYS H 2 48 LYS HA 2.800 . 2.800 2.792 2.775 2.821 0.021 2 0 "[ . 1 . 2 ]" 1
932 2 48 LYS H 2 48 LYS QB 2.800 . 3.300 2.497 2.422 2.745 . 0 0 "[ . 1 . 2 ]" 1
933 2 48 LYS H 2 48 LYS QG 5.000 . 5.000 2.775 1.915 2.952 . 0 0 "[ . 1 . 2 ]" 1
934 2 48 LYS H 2 49 ARG H 2.800 . 2.800 2.710 2.647 2.784 . 0 0 "[ . 1 . 2 ]" 1
935 2 48 LYS H 2 50 LEU H 5.000 . 5.000 4.209 4.039 4.307 . 0 0 "[ . 1 . 2 ]" 1
936 2 48 LYS H 2 50 LEU MD1 6.000 . 6.500 4.865 4.610 5.358 . 0 0 "[ . 1 . 2 ]" 1
937 2 48 LYS HA 2 49 ARG H 3.400 . 3.400 3.465 3.442 3.493 0.093 5 0 "[ . 1 . 2 ]" 1
938 2 48 LYS QB 2 48 LYS QD 2.800 . 3.800 2.577 1.996 2.790 . 0 0 "[ . 1 . 2 ]" 1
939 2 49 ARG H 2 49 ARG HA 2.800 . 2.800 2.802 2.780 2.825 0.025 6 0 "[ . 1 . 2 ]" 1
940 2 49 ARG H 2 49 ARG QB 2.800 . 3.300 2.528 2.108 2.855 . 0 0 "[ . 1 . 2 ]" 1
941 2 49 ARG H 2 49 ARG HD3 5.000 . 5.000 3.865 2.844 4.447 . 0 0 "[ . 1 . 2 ]" 1
942 2 49 ARG H 2 49 ARG HG2 5.000 . 5.000 2.902 1.787 4.658 0.013 6 0 "[ . 1 . 2 ]" 1
943 2 49 ARG H 2 49 ARG HG3 5.000 . 5.000 3.733 3.204 4.349 . 0 0 "[ . 1 . 2 ]" 1
944 2 49 ARG H 2 50 LEU H 2.800 . 2.800 2.630 2.543 2.697 . 0 0 "[ . 1 . 2 ]" 1
945 2 49 ARG H 2 51 ASN H 6.000 . 6.000 4.651 4.554 4.712 . 0 0 "[ . 1 . 2 ]" 1
946 2 49 ARG HA 2 49 ARG QD 2.800 . 3.300 2.640 2.084 2.944 . 0 0 "[ . 1 . 2 ]" 1
947 2 49 ARG QB 2 49 ARG QD 2.800 . 3.800 2.398 2.040 2.935 . 0 0 "[ . 1 . 2 ]" 1
948 2 49 ARG HB3 2 50 LEU H 5.000 . 5.000 3.774 2.986 4.293 . 0 0 "[ . 1 . 2 ]" 1
949 2 49 ARG HG2 2 50 LEU H 5.000 . 5.000 4.331 3.766 5.052 0.052 11 0 "[ . 1 . 2 ]" 1
950 2 49 ARG HG3 2 50 LEU H 5.000 . 5.000 4.891 4.662 5.057 0.057 2 0 "[ . 1 . 2 ]" 1
951 2 50 LEU H 2 50 LEU HA 2.800 . 2.800 2.786 2.773 2.804 0.004 4 0 "[ . 1 . 2 ]" 1
952 2 50 LEU H 2 50 LEU HB2 3.400 . 3.400 2.519 2.367 2.613 . 0 0 "[ . 1 . 2 ]" 1
953 2 50 LEU H 2 50 LEU MD1 5.000 . 5.500 3.512 3.301 3.771 . 0 0 "[ . 1 . 2 ]" 1
954 2 50 LEU H 2 50 LEU MD2 5.000 . 5.500 3.254 3.024 3.363 . 0 0 "[ . 1 . 2 ]" 1
955 2 50 LEU H 2 50 LEU HG 3.400 . 3.400 2.090 1.922 2.388 . 0 0 "[ . 1 . 2 ]" 1
956 2 50 LEU H 2 51 ASN H 3.400 . 3.400 2.759 2.713 2.798 . 0 0 "[ . 1 . 2 ]" 1
957 2 50 LEU H 2 51 ASN HA 5.000 . 5.000 4.997 4.943 5.024 0.024 5 0 "[ . 1 . 2 ]" 1
958 2 50 LEU H 2 52 PRO HD2 6.000 . 6.000 5.762 5.692 5.823 . 0 0 "[ . 1 . 2 ]" 1
959 2 50 LEU H 2 52 PRO HD3 5.000 . 5.000 4.071 4.017 4.124 . 0 0 "[ . 1 . 2 ]" 1
960 2 50 LEU HA 2 50 LEU MD2 2.800 . 3.300 2.030 1.807 2.284 . 0 0 "[ . 1 . 2 ]" 1
961 2 50 LEU HA 2 51 ASN H 3.400 . 3.400 3.519 3.514 3.525 0.125 16 0 "[ . 1 . 2 ]" 1
962 2 50 LEU HB2 2 51 ASN H 3.400 . 3.400 2.410 2.362 2.460 . 0 0 "[ . 1 . 2 ]" 1
963 2 50 LEU HB3 2 51 ASN H 5.000 . 5.000 3.509 3.353 3.616 . 0 0 "[ . 1 . 2 ]" 1
964 2 50 LEU HB3 2 65 LEU H 6.000 . 6.000 5.287 4.880 5.771 . 0 0 "[ . 1 . 2 ]" 1
965 2 50 LEU MD1 2 50 LEU MD2 2.800 . 3.800 1.906 1.885 1.946 . 0 0 "[ . 1 . 2 ]" 1
966 2 50 LEU MD1 2 52 PRO HG2 5.000 . 5.500 3.733 3.515 3.936 . 0 0 "[ . 1 . 2 ]" 1
967 2 50 LEU MD1 2 52 PRO HG3 5.000 . 5.500 2.567 2.395 2.650 . 0 0 "[ . 1 . 2 ]" 1
968 2 50 LEU MD2 2 51 ASN H 5.000 . 5.500 4.578 4.500 4.631 . 0 0 "[ . 1 . 2 ]" 1
969 2 50 LEU MD2 2 65 LEU MD1 6.000 4.400 7.000 4.621 3.899 4.871 0.501 12 1 "[ . 1 + . 2 ]" 1
970 2 50 LEU HG 2 51 ASN H 5.000 . 5.000 4.178 4.011 4.397 . 0 0 "[ . 1 . 2 ]" 1
971 2 51 ASN H 2 51 ASN HA 2.800 . 2.800 2.271 2.265 2.277 . 0 0 "[ . 1 . 2 ]" 1
972 2 51 ASN H 2 51 ASN HB2 3.400 . 3.400 3.147 3.098 3.188 . 0 0 "[ . 1 . 2 ]" 1
973 2 51 ASN H 2 51 ASN HB3 3.400 . 3.400 3.474 3.463 3.513 0.113 19 0 "[ . 1 . 2 ]" 1
974 2 51 ASN H 2 52 PRO HD2 3.400 . 3.400 3.489 3.469 3.511 0.111 10 0 "[ . 1 . 2 ]" 1
975 2 51 ASN H 2 52 PRO HD3 2.800 . 2.800 1.948 1.904 1.973 . 0 0 "[ . 1 . 2 ]" 1
976 2 51 ASN HA 2 52 PRO HD2 5.000 . 5.000 2.952 2.879 3.028 . 0 0 "[ . 1 . 2 ]" 1
977 2 51 ASN HA 2 52 PRO HD3 3.400 . 3.400 2.543 2.490 2.606 . 0 0 "[ . 1 . 2 ]" 1
978 2 51 ASN HB2 2 51 ASN HD21 2.800 . 2.800 2.239 2.232 2.276 . 0 0 "[ . 1 . 2 ]" 1
979 2 51 ASN HB2 2 51 ASN HD22 3.400 . 3.400 3.468 3.465 3.479 0.079 19 0 "[ . 1 . 2 ]" 1
980 2 52 PRO HA 2 53 GLU H 2.800 . 2.800 2.743 2.683 2.787 . 0 0 "[ . 1 . 2 ]" 1
981 2 52 PRO HA 2 64 SER H 5.000 . 5.000 5.048 5.023 5.086 0.086 2 0 "[ . 1 . 2 ]" 1
982 2 52 PRO HA 2 65 LEU HB3 5.000 . 5.000 2.475 2.262 2.633 . 0 0 "[ . 1 . 2 ]" 1
983 2 52 PRO HA 2 66 LYS H 6.000 . 6.000 6.024 6.002 6.062 0.062 6 0 "[ . 1 . 2 ]" 1
984 2 52 PRO HB2 2 64 SER H 5.000 . 5.000 2.517 2.463 2.646 . 0 0 "[ . 1 . 2 ]" 1
985 2 52 PRO HD2 2 53 GLU QB 6.000 . 6.500 5.862 5.846 5.871 . 0 0 "[ . 1 . 2 ]" 1
986 2 52 PRO HD2 2 53 GLU HG2 6.000 . 6.000 6.026 6.019 6.030 0.030 10 0 "[ . 1 . 2 ]" 1
987 2 52 PRO HD2 2 54 ARG QB 6.000 . 6.500 5.827 5.820 5.841 . 0 0 "[ . 1 . 2 ]" 1
988 2 52 PRO HG2 2 63 PHE QD 5.000 . 6.000 4.114 3.167 4.315 . 0 0 "[ . 1 . 2 ]" 1
989 2 52 PRO HG3 2 63 PHE QD 5.000 . 6.000 4.574 3.535 4.857 . 0 0 "[ . 1 . 2 ]" 1
990 2 53 GLU H 2 53 GLU HA 2.800 . 2.800 2.917 2.916 2.918 0.118 17 0 "[ . 1 . 2 ]" 1
991 2 53 GLU H 2 53 GLU QB 2.800 . 3.300 2.364 2.331 2.393 . 0 0 "[ . 1 . 2 ]" 1
992 2 53 GLU H 2 53 GLU HG2 5.000 . 5.000 3.996 3.935 4.061 . 0 0 "[ . 1 . 2 ]" 1
993 2 53 GLU H 2 53 GLU HG3 5.000 . 5.000 4.252 4.164 4.338 . 0 0 "[ . 1 . 2 ]" 1
994 2 53 GLU H 2 63 PHE HA 5.000 . 5.000 4.534 4.319 4.726 . 0 0 "[ . 1 . 2 ]" 1
995 2 53 GLU H 2 64 SER H 3.400 . 3.400 2.873 2.757 3.027 . 0 0 "[ . 1 . 2 ]" 1
996 2 53 GLU H 2 64 SER HA 5.000 . 5.000 3.752 3.355 3.949 . 0 0 "[ . 1 . 2 ]" 1
997 2 53 GLU HA 2 53 GLU HG3 3.400 . 3.400 3.412 3.409 3.415 0.015 10 0 "[ . 1 . 2 ]" 1
998 2 53 GLU HA 2 54 ARG H 2.800 . 2.800 2.229 2.214 2.268 . 0 0 "[ . 1 . 2 ]" 1
999 2 53 GLU QB 2 54 ARG H 3.400 . 3.900 3.142 3.035 3.219 . 0 0 "[ . 1 . 2 ]" 1
1000 2 53 GLU QB 2 55 LYS HE3 6.000 . 6.500 5.046 4.536 5.496 . 0 0 "[ . 1 . 2 ]" 1
1001 2 53 GLU HG2 2 54 ARG H 5.000 . 5.000 3.703 3.666 3.747 . 0 0 "[ . 1 . 2 ]" 1
1002 2 53 GLU HG3 2 54 ARG H 6.000 . 6.000 4.919 4.893 4.942 . 0 0 "[ . 1 . 2 ]" 1
1003 2 54 ARG H 2 54 ARG QB 2.800 . 3.300 2.578 2.542 2.627 . 0 0 "[ . 1 . 2 ]" 1
1004 2 54 ARG H 2 54 ARG HD3 5.000 . 5.000 4.482 3.674 4.856 . 0 0 "[ . 1 . 2 ]" 1
1005 2 54 ARG H 2 54 ARG HG2 3.400 . 3.400 2.682 1.995 3.291 . 0 0 "[ . 1 . 2 ]" 1
1006 2 54 ARG H 2 54 ARG HG3 3.400 . 3.400 2.620 2.099 3.402 0.002 15 0 "[ . 1 . 2 ]" 1
1007 2 54 ARG H 2 55 LYS H 5.000 . 5.000 4.527 4.506 4.542 . 0 0 "[ . 1 . 2 ]" 1
1008 2 54 ARG HA 2 55 LYS H 2.800 . 2.800 2.117 2.085 2.137 . 0 0 "[ . 1 . 2 ]" 1
1009 2 54 ARG HA 2 63 PHE H 5.000 . 5.000 4.805 4.477 5.002 0.002 13 0 "[ . 1 . 2 ]" 1
1010 2 54 ARG HA 2 63 PHE HA 5.000 . 5.000 2.264 1.998 2.468 . 0 0 "[ . 1 . 2 ]" 1
1011 2 54 ARG HA 2 63 PHE QD 5.000 . 6.000 3.947 3.517 4.615 . 0 0 "[ . 1 . 2 ]" 1
1012 2 54 ARG HA 2 64 SER H 5.000 . 5.000 3.581 3.342 3.757 . 0 0 "[ . 1 . 2 ]" 1
1013 2 54 ARG QB 2 55 LYS H 2.800 . 3.300 2.993 2.973 3.017 . 0 0 "[ . 1 . 2 ]" 1
1014 2 54 ARG HB2 2 61 MET ME 5.000 . 5.500 2.019 1.917 2.172 . 0 0 "[ . 1 . 2 ]" 1
1015 2 54 ARG QD 2 61 MET ME 5.000 . 6.000 2.973 2.098 4.266 . 0 0 "[ . 1 . 2 ]" 1
1016 2 54 ARG HG2 2 61 MET ME 5.000 . 5.500 4.400 3.976 4.588 . 0 0 "[ . 1 . 2 ]" 1
1017 2 55 LYS H 2 55 LYS QE 5.000 . 5.500 4.058 3.718 4.233 . 0 0 "[ . 1 . 2 ]" 1
1018 2 55 LYS H 2 56 MET H 5.000 . 5.000 4.326 4.135 4.380 . 0 0 "[ . 1 . 2 ]" 1
1019 2 55 LYS H 2 56 MET HB3 6.000 . 6.000 5.711 5.632 5.787 . 0 0 "[ . 1 . 2 ]" 1
1020 2 55 LYS H 2 62 HIS H 5.000 . 5.000 3.375 3.104 3.609 . 0 0 "[ . 1 . 2 ]" 1
1021 2 55 LYS H 2 63 PHE HA 5.000 . 5.000 3.015 2.793 3.189 . 0 0 "[ . 1 . 2 ]" 1
1022 2 55 LYS H 2 64 SER H 5.000 . 5.000 4.317 4.051 4.482 . 0 0 "[ . 1 . 2 ]" 1
1023 2 55 LYS HA 2 55 LYS QG 2.800 . 3.300 2.709 2.520 2.785 . 0 0 "[ . 1 . 2 ]" 1
1024 2 55 LYS HA 2 56 MET H 2.800 . 2.800 2.357 2.183 2.414 . 0 0 "[ . 1 . 2 ]" 1
1025 2 55 LYS HA 2 56 MET HA 5.000 . 5.000 4.357 4.337 4.371 . 0 0 "[ . 1 . 2 ]" 1
1026 2 55 LYS HA 2 57 ILE H 6.000 . 6.000 5.760 5.614 5.837 . 0 0 "[ . 1 . 2 ]" 1
1027 2 55 LYS HB2 2 55 LYS HE3 3.400 . 3.400 1.996 1.934 2.124 . 0 0 "[ . 1 . 2 ]" 1
1028 2 55 LYS HB2 2 56 MET H 5.000 . 5.000 3.465 3.300 3.906 . 0 0 "[ . 1 . 2 ]" 1
1029 2 55 LYS HB3 2 55 LYS HE3 3.400 . 3.400 3.196 2.930 3.409 0.009 16 0 "[ . 1 . 2 ]" 1
1030 2 55 LYS HB3 2 56 MET H 5.000 . 5.000 2.798 2.563 3.348 . 0 0 "[ . 1 . 2 ]" 1
1031 2 55 LYS QD 2 57 ILE MD 5.000 . 6.000 4.018 3.849 4.394 . 0 0 "[ . 1 . 2 ]" 1
1032 2 55 LYS QD 2 66 LYS QE 2.800 . 3.800 2.952 2.523 3.026 . 0 0 "[ . 1 . 2 ]" 1
1033 2 55 LYS QE 2 57 ILE H 6.000 . 6.500 5.777 5.514 5.884 . 0 0 "[ . 1 . 2 ]" 1
1034 2 55 LYS HE3 2 55 LYS QG 2.800 . 3.300 2.624 2.341 2.944 . 0 0 "[ . 1 . 2 ]" 1
1035 2 55 LYS HE3 2 64 SER HB2 5.000 . 5.000 4.765 3.862 5.024 0.024 2 0 "[ . 1 . 2 ]" 1
1036 2 55 LYS HE3 2 64 SER HB3 5.000 . 5.000 4.707 3.788 5.013 0.013 16 0 "[ . 1 . 2 ]" 1
1037 2 55 LYS QG 2 56 MET H 5.000 . 5.500 4.317 4.072 4.530 . 0 0 "[ . 1 . 2 ]" 1
1038 2 55 LYS QG 2 57 ILE MD 5.000 . 6.000 4.418 4.258 4.474 . 0 0 "[ . 1 . 2 ]" 1
1039 2 56 MET H 2 56 MET HB3 3.400 . 3.400 2.971 2.657 3.082 . 0 0 "[ . 1 . 2 ]" 1
1040 2 56 MET H 2 56 MET QG 2.800 . 3.300 2.077 1.915 2.167 . 0 0 "[ . 1 . 2 ]" 1
1041 2 56 MET H 2 57 ILE MD 5.000 . 5.500 3.851 3.693 4.126 . 0 0 "[ . 1 . 2 ]" 1
1042 2 56 MET HA 2 56 MET ME 5.000 . 5.500 3.965 3.894 4.008 . 0 0 "[ . 1 . 2 ]" 1
1043 2 56 MET HA 2 57 ILE H 2.800 . 2.800 2.135 2.121 2.145 . 0 0 "[ . 1 . 2 ]" 1
1044 2 56 MET HA 2 60 LYS H 5.000 . 5.000 3.916 3.803 4.031 . 0 0 "[ . 1 . 2 ]" 1
1045 2 56 MET HA 2 61 MET HA 3.400 . 3.400 2.434 2.261 2.835 . 0 0 "[ . 1 . 2 ]" 1
1046 2 56 MET HA 2 62 HIS H 5.000 . 5.000 2.400 2.274 2.561 . 0 0 "[ . 1 . 2 ]" 1
1047 2 56 MET HB3 2 59 ASP H 5.000 . 5.000 5.015 5.005 5.033 0.033 17 0 "[ . 1 . 2 ]" 1
1048 2 56 MET HB3 2 61 MET H 5.000 . 5.000 4.873 4.690 5.009 0.009 15 0 "[ . 1 . 2 ]" 1
1049 2 56 MET ME 2 56 MET QG 2.800 . 3.800 2.617 2.579 2.654 . 0 0 "[ . 1 . 2 ]" 1
1050 2 56 MET ME 2 59 ASP HA 2.800 . 3.300 1.971 1.882 2.231 . 0 0 "[ . 1 . 2 ]" 1
1051 2 56 MET ME 2 59 ASP HB2 5.000 . 5.500 4.194 3.916 4.507 . 0 0 "[ . 1 . 2 ]" 1
1052 2 56 MET ME 2 59 ASP HB3 5.000 . 5.500 4.221 3.368 4.528 . 0 0 "[ . 1 . 2 ]" 1
1053 2 56 MET ME 2 60 LYS HA 5.000 . 5.500 4.425 4.261 4.582 . 0 0 "[ . 1 . 2 ]" 1
1054 2 56 MET ME 2 60 LYS QE 6.000 . 7.000 5.205 5.199 5.218 . 0 0 "[ . 1 . 2 ]" 1
1055 2 56 MET ME 2 61 MET HA 5.000 . 5.500 4.581 4.469 4.590 . 0 0 "[ . 1 . 2 ]" 1
1056 2 56 MET QG 2 57 ILE H 5.000 . 5.500 4.379 4.223 4.423 . 0 0 "[ . 1 . 2 ]" 1
1057 2 57 ILE H 2 57 ILE HG12 5.000 . 5.000 3.194 3.054 3.281 . 0 0 "[ . 1 . 2 ]" 1
1058 2 57 ILE H 2 57 ILE HG13 5.000 . 5.000 4.324 4.271 4.373 . 0 0 "[ . 1 . 2 ]" 1
1059 2 57 ILE H 2 60 LYS H 3.400 . 3.400 3.232 3.122 3.353 . 0 0 "[ . 1 . 2 ]" 1
1060 2 57 ILE H 2 61 MET ME 6.000 . 6.500 4.596 4.162 5.413 . 0 0 "[ . 1 . 2 ]" 1
1061 2 57 ILE HA 2 57 ILE MG 2.800 . 3.300 2.515 2.491 2.577 . 0 0 "[ . 1 . 2 ]" 1
1062 2 57 ILE HA 2 59 ASP H 5.000 . 5.000 3.988 3.785 4.053 . 0 0 "[ . 1 . 2 ]" 1
1063 2 57 ILE HB 2 57 ILE HG13 2.800 . 2.800 2.766 2.720 2.797 . 0 0 "[ . 1 . 2 ]" 1
1064 2 57 ILE MD 2 57 ILE MG 2.800 . 3.800 2.660 2.604 2.702 . 0 0 "[ . 1 . 2 ]" 1
1065 2 57 ILE MD 2 62 HIS HB2 5.000 . 5.500 3.103 2.923 4.620 . 0 0 "[ . 1 . 2 ]" 1
1066 2 57 ILE HG12 2 62 HIS HB2 5.000 . 5.000 2.048 1.903 3.435 . 0 0 "[ . 1 . 2 ]" 1
1067 2 57 ILE HG12 2 62 HIS HB3 5.000 . 5.000 2.540 2.372 3.112 . 0 0 "[ . 1 . 2 ]" 1
1068 2 57 ILE HG13 2 57 ILE MG 2.800 . 3.300 2.093 2.083 2.099 . 0 0 "[ . 1 . 2 ]" 1
1069 2 57 ILE MG 2 58 ASN HB2 5.000 . 5.500 2.672 2.398 4.085 . 0 0 "[ . 1 . 2 ]" 1
1070 2 57 ILE MG 2 58 ASN HB3 5.000 . 5.500 3.161 2.828 3.335 . 0 0 "[ . 1 . 2 ]" 1
1071 2 57 ILE MG 2 60 LYS HB2 5.000 . 5.500 4.605 4.593 4.613 . 0 0 "[ . 1 . 2 ]" 1
1072 2 57 ILE MG 2 60 LYS HB3 5.000 . 5.500 3.746 3.650 3.944 . 0 0 "[ . 1 . 2 ]" 1
1073 2 57 ILE MG 2 62 HIS HB2 5.000 . 5.500 4.183 3.966 4.592 . 0 0 "[ . 1 . 2 ]" 1
1074 2 58 ASN H 2 59 ASP H 5.000 . 5.000 2.727 2.659 2.842 . 0 0 "[ . 1 . 2 ]" 1
1075 2 58 ASN HA 2 58 ASN HB2 2.800 . 2.800 2.628 2.417 2.704 . 0 0 "[ . 1 . 2 ]" 1
1076 2 58 ASN HA 2 59 ASP H 3.400 . 3.400 2.773 2.744 2.822 . 0 0 "[ . 1 . 2 ]" 1
1077 2 58 ASN HB2 2 59 ASP H 5.000 . 5.000 4.561 4.505 4.638 . 0 0 "[ . 1 . 2 ]" 1
1078 2 58 ASN HB3 2 58 ASN HD21 3.400 . 3.400 2.485 2.122 3.240 . 0 0 "[ . 1 . 2 ]" 1
1079 2 59 ASP H 2 59 ASP HA 2.800 . 2.800 2.280 2.274 2.288 . 0 0 "[ . 1 . 2 ]" 1
1080 2 59 ASP H 2 60 LYS H 2.800 . 2.800 2.541 2.466 2.590 . 0 0 "[ . 1 . 2 ]" 1
1081 2 59 ASP HA 2 60 LYS H 3.400 . 3.400 3.136 3.048 3.190 . 0 0 "[ . 1 . 2 ]" 1
1082 2 59 ASP HB3 2 60 LYS H 5.000 . 5.000 3.939 3.805 4.500 . 0 0 "[ . 1 . 2 ]" 1
1083 2 60 LYS H 2 60 LYS HB3 3.400 . 3.400 2.755 2.731 2.778 . 0 0 "[ . 1 . 2 ]" 1
1084 2 60 LYS HA 2 62 HIS H 6.000 . 6.000 5.550 5.476 5.575 . 0 0 "[ . 1 . 2 ]" 1
1085 2 60 LYS HB2 2 60 LYS QE 2.800 . 3.300 2.231 2.160 2.285 . 0 0 "[ . 1 . 2 ]" 1
1086 2 60 LYS HB3 2 60 LYS QE 3.400 . 3.900 3.483 3.480 3.486 . 0 0 "[ . 1 . 2 ]" 1
1087 2 60 LYS QG 2 62 HIS H 5.000 . 5.500 4.935 4.923 4.955 . 0 0 "[ . 1 . 2 ]" 1
1088 2 61 MET H 2 61 MET ME 5.000 . 5.500 4.366 4.066 4.582 . 0 0 "[ . 1 . 2 ]" 1
1089 2 61 MET HA 2 61 MET ME 5.000 . 5.500 2.156 1.874 2.661 . 0 0 "[ . 1 . 2 ]" 1
1090 2 61 MET QB 2 62 HIS H 5.000 . 5.500 3.720 3.540 3.920 . 0 0 "[ . 1 . 2 ]" 1
1091 2 61 MET ME 2 63 PHE QD 5.000 . 6.500 3.032 2.070 3.542 . 0 0 "[ . 1 . 2 ]" 1
1092 2 61 MET ME 2 63 PHE QE 5.000 . 6.000 3.973 2.611 4.461 . 0 0 "[ . 1 . 2 ]" 1
1093 2 62 HIS H 2 62 HIS HA 2.800 . 2.800 2.927 2.920 2.930 0.130 14 0 "[ . 1 . 2 ]" 1
1094 2 62 HIS H 2 63 PHE H 5.000 . 5.000 4.358 4.296 4.453 . 0 0 "[ . 1 . 2 ]" 1
1095 2 62 HIS HB2 2 64 SER H 6.000 . 6.000 5.973 5.776 6.051 0.051 2 0 "[ . 1 . 2 ]" 1
1096 2 62 HIS HB3 2 63 PHE H 5.000 . 5.000 3.250 2.652 4.133 . 0 0 "[ . 1 . 2 ]" 1
1097 2 63 PHE H 2 63 PHE HB3 3.400 . 3.400 3.505 3.423 3.576 0.176 2 0 "[ . 1 . 2 ]" 1
1098 2 63 PHE H 2 63 PHE QD 5.000 . 6.000 2.748 2.428 3.049 . 0 0 "[ . 1 . 2 ]" 1
1099 2 63 PHE HA 2 64 SER H 2.800 . 2.800 2.185 2.162 2.229 . 0 0 "[ . 1 . 2 ]" 1
1100 2 63 PHE QD 2 64 SER H 5.000 . 6.000 4.849 4.495 4.930 . 0 0 "[ . 1 . 2 ]" 1
1101 2 64 SER H 2 65 LEU H 5.000 . 5.000 4.353 4.331 4.371 . 0 0 "[ . 1 . 2 ]" 1
1102 2 64 SER HB2 2 65 LEU H 5.000 . 5.000 3.888 3.726 3.934 . 0 0 "[ . 1 . 2 ]" 1
1103 2 64 SER HB3 2 65 LEU H 5.000 . 5.000 2.704 2.294 3.024 . 0 0 "[ . 1 . 2 ]" 1
1104 2 65 LEU H 2 65 LEU HA 2.800 . 2.800 2.907 2.899 2.912 0.112 5 0 "[ . 1 . 2 ]" 1
1105 2 65 LEU H 2 65 LEU HB3 3.400 . 3.400 3.101 2.815 3.267 . 0 0 "[ . 1 . 2 ]" 1
1106 2 65 LEU H 2 65 LEU HG 5.000 . 5.000 3.153 2.695 4.009 . 0 0 "[ . 1 . 2 ]" 1
1107 2 65 LEU H 2 66 LYS H 5.000 . 5.000 4.436 4.400 4.471 . 0 0 "[ . 1 . 2 ]" 1
1108 2 65 LEU H 2 66 LYS HB3 6.000 . 6.000 6.055 6.031 6.077 0.077 16 0 "[ . 1 . 2 ]" 1
1109 2 65 LEU HA 2 65 LEU MD2 3.400 . 3.900 3.361 3.329 3.386 . 0 0 "[ . 1 . 2 ]" 1
1110 2 65 LEU HA 2 66 LYS H 3.400 . 3.400 2.492 2.450 2.512 . 0 0 "[ . 1 . 2 ]" 1
1111 2 65 LEU HA 2 66 LYS QD 5.000 . 5.500 3.590 3.453 3.713 . 0 0 "[ . 1 . 2 ]" 1
1112 2 65 LEU HB2 2 66 LYS H 3.400 . 3.400 2.310 2.283 2.383 . 0 0 "[ . 1 . 2 ]" 1
1113 2 65 LEU HB2 2 67 GLU H 5.000 . 5.000 4.947 4.851 5.095 0.095 1 0 "[ . 1 . 2 ]" 1
1114 2 65 LEU HB3 2 66 LYS H 5.000 . 5.000 3.719 3.668 3.819 . 0 0 "[ . 1 . 2 ]" 1
1115 2 65 LEU MD1 2 66 LYS H 5.000 . 5.500 3.958 3.782 4.228 . 0 0 "[ . 1 . 2 ]" 1
1116 2 65 LEU MD1 2 67 GLU H 5.000 . 5.500 4.348 4.128 4.615 . 0 0 "[ . 1 . 2 ]" 1
1117 2 65 LEU MD2 2 66 LYS H 5.000 . 5.500 3.855 2.282 4.550 . 0 0 "[ . 1 . 2 ]" 1
1118 2 65 LEU MD2 2 67 GLU H 6.000 . 6.500 4.551 2.518 5.467 . 0 0 "[ . 1 . 2 ]" 1
1119 2 66 LYS H 2 66 LYS HA 2.800 . 2.800 2.895 2.881 2.903 0.103 3 0 "[ . 1 . 2 ]" 1
1120 2 66 LYS H 2 66 LYS QG 2.800 . 3.300 2.703 2.573 2.828 . 0 0 "[ . 1 . 2 ]" 1
1121 2 66 LYS H 2 67 GLU H 5.000 . 5.000 3.963 3.866 4.021 . 0 0 "[ . 1 . 2 ]" 1
1122 2 66 LYS HA 2 66 LYS HB2 2.800 . 2.800 2.832 2.820 2.851 0.051 4 0 "[ . 1 . 2 ]" 1
1123 2 66 LYS HA 2 66 LYS HB3 2.800 . 2.800 2.201 2.193 2.208 . 0 0 "[ . 1 . 2 ]" 1
1124 2 66 LYS HA 2 66 LYS QD 3.400 . 3.900 3.554 3.545 3.564 . 0 0 "[ . 1 . 2 ]" 1
1125 2 66 LYS HA 2 66 LYS QG 2.800 . 3.300 3.032 3.002 3.049 . 0 0 "[ . 1 . 2 ]" 1
1126 2 66 LYS HA 2 67 GLU H 2.800 . 2.800 2.141 2.133 2.148 . 0 0 "[ . 1 . 2 ]" 1
1127 2 66 LYS HB2 2 66 LYS QD 2.800 . 3.300 2.351 2.335 2.365 . 0 0 "[ . 1 . 2 ]" 1
1128 2 66 LYS HB3 2 66 LYS QD 3.400 . 3.900 3.273 3.269 3.277 . 0 0 "[ . 1 . 2 ]" 1
1129 2 66 LYS HB3 2 67 GLU H 5.000 . 5.000 3.930 3.901 3.960 . 0 0 "[ . 1 . 2 ]" 1
1130 2 66 LYS QD 2 67 GLU HA 5.000 . 5.500 4.863 4.694 4.914 . 0 0 "[ . 1 . 2 ]" 1
1131 2 66 LYS QG 2 67 GLU H 5.000 . 5.500 4.828 4.822 4.836 . 0 0 "[ . 1 . 2 ]" 1
1132 2 67 GLU H 2 67 GLU HA 2.800 . 2.800 2.813 2.771 2.916 0.116 18 0 "[ . 1 . 2 ]" 1
1133 2 67 GLU H 2 67 GLU HB2 3.400 . 3.400 3.153 2.204 3.537 0.137 21 0 "[ . 1 . 2 ]" 1
1134 2 67 GLU H 2 67 GLU HB3 3.400 . 3.400 2.951 2.351 3.521 0.121 12 0 "[ . 1 . 2 ]" 1
1135 2 67 GLU H 2 67 GLU QG 2.800 . 3.300 2.223 1.925 2.943 . 0 0 "[ . 1 . 2 ]" 1
1136 2 67 GLU HA 2 67 GLU QG 5.000 3.400 5.500 3.216 2.955 3.362 0.445 4 0 "[ . 1 . 2 ]" 1
1137 2 67 GLU HB3 2 67 GLU QG 2.800 . 2.800 2.233 2.131 2.399 . 0 0 "[ . 1 . 2 ]" 1
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