NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
580602 |
2moe   |
19939 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2moe
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 687
_Distance_constraint_stats_list.Viol_count 381
_Distance_constraint_stats_list.Viol_total 58.361
_Distance_constraint_stats_list.Viol_max 0.035
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.008 0.007 17 0 "[ . 1 . 2]"
1 5 CYS 0.008 0.007 17 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.008 0.004 6 0 "[ . 1 . 2]"
1 9 VAL 0.000 0.000 2 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TRP 0.001 0.001 8 0 "[ . 1 . 2]"
1 14 GLU 0.035 0.004 10 0 "[ . 1 . 2]"
1 15 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.216 0.018 11 0 "[ . 1 . 2]"
1 17 VAL 0.005 0.003 15 0 "[ . 1 . 2]"
1 18 LYS 0.001 0.001 5 0 "[ . 1 . 2]"
1 19 GLN 0.009 0.007 7 0 "[ . 1 . 2]"
1 20 ARG 0.177 0.035 7 0 "[ . 1 . 2]"
1 21 LEU 0.099 0.022 7 0 "[ . 1 . 2]"
1 22 PHE 0.182 0.035 7 0 "[ . 1 . 2]"
1 23 GLY 0.074 0.024 3 0 "[ . 1 . 2]"
1 24 LYS 0.123 0.024 3 0 "[ . 1 . 2]"
1 25 THR 0.108 0.014 7 0 "[ . 1 . 2]"
1 26 ALA 0.043 0.008 7 0 "[ . 1 . 2]"
1 27 GLY 0.003 0.002 3 0 "[ . 1 . 2]"
1 28 ARG 0.001 0.001 15 0 "[ . 1 . 2]"
1 29 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 VAL 0.214 0.018 11 0 "[ . 1 . 2]"
1 32 TYR 0.021 0.005 16 0 "[ . 1 . 2]"
1 33 PHE 0.004 0.002 20 0 "[ . 1 . 2]"
1 34 ILE 0.054 0.009 1 0 "[ . 1 . 2]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 39 LEU 0.002 0.002 3 0 "[ . 1 . 2]"
1 40 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.015 0.005 16 0 "[ . 1 . 2]"
1 43 SER 0.004 0.002 20 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.084 0.012 16 0 "[ . 1 . 2]"
1 48 ALA 0.048 0.011 4 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TYR 0.084 0.014 15 0 "[ . 1 . 2]"
1 51 LEU 0.095 0.014 15 0 "[ . 1 . 2]"
1 52 HIS 0.026 0.005 1 0 "[ . 1 . 2]"
1 53 LYS 0.004 0.002 11 0 "[ . 1 . 2]"
1 54 ASN 0.002 0.002 11 0 "[ . 1 . 2]"
1 55 GLY 0.002 0.002 10 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.026 0.005 1 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.013 0.004 17 0 "[ . 1 . 2]"
1 60 LYS 0.102 0.011 12 0 "[ . 1 . 2]"
1 61 PRO 0.025 0.008 20 0 "[ . 1 . 2]"
1 62 GLU 0.064 0.011 12 0 "[ . 1 . 2]"
1 63 ASP 0.005 0.003 14 0 "[ . 1 . 2]"
1 64 PHE 0.066 0.012 16 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PHE 0.002 0.002 12 0 "[ . 1 . 2]"
1 67 THR 0.017 0.007 4 0 "[ . 1 . 2]"
1 68 VAL 0.005 0.004 11 0 "[ . 1 . 2]"
1 69 LEU 0.051 0.012 15 0 "[ . 1 . 2]"
1 70 SER 0.002 0.001 16 0 "[ . 1 . 2]"
1 71 LYS 0.014 0.005 9 0 "[ . 1 . 2]"
2 2 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 DA 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 5CM 0.322 0.026 13 0 "[ . 1 . 2]"
2 6 DG 0.086 0.008 7 0 "[ . 1 . 2]"
2 7 DG 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 DC 0.321 0.026 13 0 "[ . 1 . 2]"
2 9 DT 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 DC 0.000 0.000 . 0 "[ . 1 . 2]"
3 2 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 3 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 4 DC 0.327 0.028 13 0 "[ . 1 . 2]"
3 5 5CM 0.322 0.026 13 0 "[ . 1 . 2]"
3 6 DG 0.000 0.000 . 0 "[ . 1 . 2]"
3 7 DA 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 DT 0.117 0.008 7 0 "[ . 1 . 2]"
3 9 DC 0.324 0.028 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR HA 1 4 GLU H 4.000 . 6.000 2.949 2.152 3.573 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU H 1 4 GLU QG 4.000 . 6.500 3.036 1.822 4.267 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU HA 1 5 CYS H 4.000 . 5.000 2.538 2.146 3.544 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU HA 1 6 ARG H 4.000 . 6.500 4.924 3.079 6.475 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLU QB 1 5 CYS H 4.000 . 6.500 3.056 1.793 4.012 0.007 17 0 "[ . 1 . 2]" 1
6 1 5 CYS HA 1 6 ARG H 4.000 . 5.000 2.883 2.147 3.529 . 0 0 "[ . 1 . 2]" 1
7 1 5 CYS QB 1 6 ARG H 4.000 . 6.500 3.120 1.837 4.035 . 0 0 "[ . 1 . 2]" 1
8 1 6 ARG H 1 6 ARG QG 4.000 . 6.500 3.250 1.887 4.170 . 0 0 "[ . 1 . 2]" 1
9 1 6 ARG HA 1 7 LYS H 4.000 . 6.000 2.706 2.146 3.570 . 0 0 "[ . 1 . 2]" 1
10 1 6 ARG QB 1 8 SER H 4.000 . 6.500 5.128 2.131 6.376 . 0 0 "[ . 1 . 2]" 1
11 1 6 ARG QG 1 8 SER H 4.000 . 6.500 5.304 3.798 6.426 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER H 1 10 PRO QB 4.000 . 6.500 5.742 4.686 6.470 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER HA 1 9 VAL H 3.500 . 4.000 3.120 2.147 3.574 . 0 0 "[ . 1 . 2]" 1
14 1 8 SER HA 1 9 VAL QG 4.000 . 6.000 3.792 3.169 4.155 . 0 0 "[ . 1 . 2]" 1
15 1 8 SER HA 1 71 LYS H 3.500 . 3.800 3.727 3.350 3.802 0.002 18 0 "[ . 1 . 2]" 1
16 1 8 SER HA 1 71 LYS QG 4.000 . 6.000 4.739 2.848 6.004 0.004 6 0 "[ . 1 . 2]" 1
17 1 8 SER QB 1 9 VAL H 4.000 . 6.500 2.893 1.940 3.893 . 0 0 "[ . 1 . 2]" 1
18 1 8 SER QB 1 70 SER H 4.000 . 5.000 4.563 3.643 4.983 . 0 0 "[ . 1 . 2]" 1
19 1 8 SER QB 1 71 LYS H 4.000 . 5.000 2.605 1.799 3.966 0.001 4 0 "[ . 1 . 2]" 1
20 1 9 VAL H 1 9 VAL HB 4.000 . 5.000 3.006 2.560 3.716 . 0 0 "[ . 1 . 2]" 1
21 1 9 VAL H 1 9 VAL MG1 3.500 . 4.000 3.895 3.784 3.959 . 0 0 "[ . 1 . 2]" 1
22 1 9 VAL HA 1 10 PRO QD 4.000 . 6.000 2.102 1.999 2.214 . 0 0 "[ . 1 . 2]" 1
23 1 9 VAL HB 1 10 PRO QD 4.000 . 6.000 4.281 3.945 4.375 . 0 0 "[ . 1 . 2]" 1
24 1 9 VAL QG 1 15 ARG H 4.000 . 6.500 4.094 2.517 5.066 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL MG1 1 10 PRO QD 4.000 . 6.000 3.152 2.062 3.697 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL MG1 1 13 TRP H 4.000 . 6.500 4.619 4.037 5.247 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL MG1 1 13 TRP QB 4.000 . 6.000 3.817 2.761 5.548 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL MG1 1 14 GLU H 4.000 . 6.000 5.416 4.463 6.000 0.000 2 0 "[ . 1 . 2]" 1
29 1 9 VAL MG1 1 14 GLU HA 4.000 . 6.000 4.010 2.433 5.019 . 0 0 "[ . 1 . 2]" 1
30 1 11 CYS H 1 11 CYS QB 3.500 . 4.000 2.357 2.257 2.517 . 0 0 "[ . 1 . 2]" 1
31 1 11 CYS HA 1 12 GLY H 4.000 . 5.000 2.231 2.146 2.306 . 0 0 "[ . 1 . 2]" 1
32 1 11 CYS QB 1 12 GLY H 4.000 . 6.500 3.067 2.670 3.789 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLY H 1 13 TRP H 4.000 . 6.500 2.614 2.355 2.795 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLY QA 1 13 TRP H 4.000 . 6.000 2.878 2.826 2.907 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLY QA 1 36 PRO QG 4.000 . 6.000 3.250 2.437 4.795 . 0 0 "[ . 1 . 2]" 1
36 1 13 TRP H 1 13 TRP HD1 4.000 . 6.500 2.883 2.436 3.428 . 0 0 "[ . 1 . 2]" 1
37 1 13 TRP H 1 13 TRP HE1 4.000 . 6.500 5.195 4.909 5.581 . 0 0 "[ . 1 . 2]" 1
38 1 13 TRP H 1 14 GLU H 4.000 . 6.500 4.514 4.475 4.563 . 0 0 "[ . 1 . 2]" 1
39 1 13 TRP HA 1 14 GLU H 3.500 . 4.000 2.272 2.220 2.386 . 0 0 "[ . 1 . 2]" 1
40 1 13 TRP QB 1 13 TRP HZ2 4.000 . 6.000 5.656 5.604 5.693 . 0 0 "[ . 1 . 2]" 1
41 1 13 TRP QB 1 14 GLU H 4.000 . 6.000 2.751 2.448 2.897 . 0 0 "[ . 1 . 2]" 1
42 1 13 TRP HE1 1 36 PRO QD 4.000 . 6.000 4.323 2.849 5.367 . 0 0 "[ . 1 . 2]" 1
43 1 13 TRP HE1 1 36 PRO QG 4.000 . 6.000 4.849 3.646 5.969 . 0 0 "[ . 1 . 2]" 1
44 1 13 TRP HE1 1 59 LEU HG 4.000 . 5.000 4.291 3.003 5.001 0.001 8 0 "[ . 1 . 2]" 1
45 1 13 TRP HH2 1 47 LEU MD1 4.000 . 5.000 2.585 2.227 3.279 . 0 0 "[ . 1 . 2]" 1
46 1 13 TRP HH2 1 47 LEU HG 4.000 . 6.000 4.958 3.842 5.751 . 0 0 "[ . 1 . 2]" 1
47 1 13 TRP HZ2 1 59 LEU HG 4.000 . 6.000 3.704 2.332 4.841 . 0 0 "[ . 1 . 2]" 1
48 1 13 TRP HZ3 1 47 LEU MD1 4.000 . 6.000 3.458 2.521 4.079 . 0 0 "[ . 1 . 2]" 1
49 1 14 GLU H 1 14 GLU QG 4.000 . 6.000 3.371 2.621 4.169 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLU H 1 33 PHE HA 4.000 . 6.500 4.469 4.108 4.994 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU H 1 34 ILE H 4.000 . 6.500 2.918 2.463 3.375 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLU H 1 34 ILE HB 4.000 . 5.000 3.712 3.118 4.244 . 0 0 "[ . 1 . 2]" 1
53 1 14 GLU H 1 34 ILE MG 4.000 . 6.500 4.702 3.846 5.038 . 0 0 "[ . 1 . 2]" 1
54 1 14 GLU H 1 36 PRO QD 4.000 . 6.500 4.933 4.093 5.499 . 0 0 "[ . 1 . 2]" 1
55 1 14 GLU HA 1 15 ARG H 3.500 . 4.000 2.276 2.215 2.329 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLU QB 1 15 ARG H 4.000 . 6.500 2.939 2.584 3.588 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLU QB 1 34 ILE HB 4.000 . 5.000 2.392 2.091 2.799 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLU QB 1 34 ILE QG 3.500 . 3.800 3.736 3.256 3.804 0.004 10 0 "[ . 1 . 2]" 1
59 1 14 GLU QB 1 34 ILE MG 4.000 . 6.000 3.719 2.793 4.041 . 0 0 "[ . 1 . 2]" 1
60 1 14 GLU QG 1 15 ARG H 4.000 . 6.500 3.382 1.943 4.436 . 0 0 "[ . 1 . 2]" 1
61 1 14 GLU QG 1 16 VAL MG2 4.000 . 6.000 4.269 2.459 5.199 . 0 0 "[ . 1 . 2]" 1
62 1 14 GLU QG 1 34 ILE HB 4.000 . 6.000 4.062 3.470 4.870 . 0 0 "[ . 1 . 2]" 1
63 1 15 ARG H 1 15 ARG QD 4.000 . 6.500 4.514 3.689 5.052 . 0 0 "[ . 1 . 2]" 1
64 1 15 ARG H 1 15 ARG QG 4.000 . 6.500 3.281 1.879 4.133 . 0 0 "[ . 1 . 2]" 1
65 1 15 ARG QB 1 15 ARG HE 4.000 . 6.500 2.669 1.893 4.096 . 0 0 "[ . 1 . 2]" 1
66 1 15 ARG QD 1 16 VAL H 4.000 . 6.500 4.308 3.374 5.062 . 0 0 "[ . 1 . 2]" 1
67 1 15 ARG HE 1 31 VAL MG2 4.000 . 6.500 5.390 3.942 6.500 . 0 0 "[ . 1 . 2]" 1
68 1 15 ARG QG 1 16 VAL H 4.000 . 6.500 3.480 2.561 4.496 . 0 0 "[ . 1 . 2]" 1
69 1 16 VAL H 1 16 VAL HB 4.000 . 6.000 2.592 2.489 2.684 . 0 0 "[ . 1 . 2]" 1
70 1 16 VAL H 1 16 VAL MG2 4.000 . 5.000 3.078 2.951 3.287 . 0 0 "[ . 1 . 2]" 1
71 1 16 VAL H 1 17 VAL H 4.000 . 6.500 4.362 4.300 4.441 . 0 0 "[ . 1 . 2]" 1
72 1 16 VAL H 1 31 VAL MG2 4.000 . 6.500 5.193 4.925 5.474 . 0 0 "[ . 1 . 2]" 1
73 1 16 VAL H 1 32 TYR H 4.000 . 6.500 3.085 2.961 3.254 . 0 0 "[ . 1 . 2]" 1
74 1 16 VAL H 1 32 TYR QD 4.000 . 6.500 4.336 3.607 4.598 . 0 0 "[ . 1 . 2]" 1
75 1 16 VAL H 1 33 PHE HA 4.000 . 6.500 3.620 3.194 4.019 . 0 0 "[ . 1 . 2]" 1
76 1 16 VAL HA 1 17 VAL H 2.500 . 2.900 2.178 2.151 2.231 . 0 0 "[ . 1 . 2]" 1
77 1 16 VAL HA 1 17 VAL MG1 4.000 . 6.000 3.631 3.573 3.735 . 0 0 "[ . 1 . 2]" 1
78 1 16 VAL HB 1 17 VAL H 4.000 . 6.000 4.219 4.122 4.299 . 0 0 "[ . 1 . 2]" 1
79 1 16 VAL HB 1 34 ILE MG 4.000 . 6.000 5.865 5.384 6.009 0.009 1 0 "[ . 1 . 2]" 1
80 1 16 VAL MG1 1 17 VAL H 2.500 . 2.900 2.322 2.070 2.530 . 0 0 "[ . 1 . 2]" 1
81 1 16 VAL MG1 1 17 VAL HB 4.000 . 6.000 5.069 4.864 5.212 . 0 0 "[ . 1 . 2]" 1
82 1 16 VAL MG1 1 31 VAL MG2 4.000 . 6.000 6.010 6.004 6.018 0.018 11 0 "[ . 1 . 2]" 1
83 1 16 VAL MG1 1 32 TYR QE 4.000 . 6.000 2.597 2.308 2.947 . 0 0 "[ . 1 . 2]" 1
84 1 16 VAL MG2 1 34 ILE H 4.000 . 6.500 4.723 4.304 5.248 . 0 0 "[ . 1 . 2]" 1
85 1 16 VAL MG2 1 34 ILE MG 4.000 . 6.000 4.632 4.371 4.885 . 0 0 "[ . 1 . 2]" 1
86 1 17 VAL H 1 17 VAL HB 3.500 . 4.000 3.785 3.737 3.829 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL H 1 18 LYS H 4.000 . 6.500 4.345 4.144 4.461 . 0 0 "[ . 1 . 2]" 1
88 1 17 VAL MG1 1 32 TYR H 3.500 . 4.000 3.891 3.512 4.003 0.003 15 0 "[ . 1 . 2]" 1
89 1 18 LYS H 1 18 LYS QG 4.000 . 6.000 3.210 1.989 4.139 . 0 0 "[ . 1 . 2]" 1
90 1 18 LYS H 1 29 PHE HA 4.000 . 6.500 5.199 4.507 5.627 . 0 0 "[ . 1 . 2]" 1
91 1 18 LYS H 1 30 ASP H 4.000 . 6.500 3.416 2.871 3.812 . 0 0 "[ . 1 . 2]" 1
92 1 18 LYS H 1 31 VAL MG1 3.500 . 4.000 3.347 3.126 3.797 . 0 0 "[ . 1 . 2]" 1
93 1 18 LYS HA 1 19 GLN H 3.500 . 3.800 2.150 2.135 2.174 . 0 0 "[ . 1 . 2]" 1
94 1 18 LYS QB 1 19 GLN H 4.000 . 6.000 3.323 3.123 3.745 . 0 0 "[ . 1 . 2]" 1
95 1 18 LYS QB 1 19 GLN HA 4.000 . 6.000 4.495 4.300 4.752 . 0 0 "[ . 1 . 2]" 1
96 1 18 LYS QB 1 20 ARG HE 4.000 . 6.500 2.933 2.300 4.190 . 0 0 "[ . 1 . 2]" 1
97 1 18 LYS QB 1 30 ASP H 4.000 . 6.500 4.479 3.766 5.350 . 0 0 "[ . 1 . 2]" 1
98 1 18 LYS QB 1 32 TYR QE 4.000 . 6.000 3.276 2.240 4.300 . 0 0 "[ . 1 . 2]" 1
99 1 18 LYS QG 1 19 GLN H 4.000 . 6.000 3.798 2.398 4.389 . 0 0 "[ . 1 . 2]" 1
100 1 18 LYS QG 1 32 TYR QD 4.000 . 6.000 5.220 3.709 6.001 0.001 5 0 "[ . 1 . 2]" 1
101 1 18 LYS QG 1 32 TYR QE 4.000 . 6.000 3.537 2.377 4.454 . 0 0 "[ . 1 . 2]" 1
102 1 19 GLN H 1 20 ARG QG 4.000 . 6.500 5.741 5.032 6.332 . 0 0 "[ . 1 . 2]" 1
103 1 19 GLN HA 1 19 GLN QE 4.000 . 6.500 3.606 2.096 4.803 . 0 0 "[ . 1 . 2]" 1
104 1 19 GLN HA 1 20 ARG H 3.500 . 4.000 2.182 2.127 2.226 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLN HA 1 20 ARG QG 4.000 . 5.000 4.194 3.193 5.007 0.007 7 0 "[ . 1 . 2]" 1
106 1 19 GLN HA 1 29 PHE HA 4.000 . 6.000 2.988 2.333 3.768 . 0 0 "[ . 1 . 2]" 1
107 1 19 GLN HA 1 30 ASP H 4.000 . 6.500 3.280 2.591 3.941 . 0 0 "[ . 1 . 2]" 1
108 1 19 GLN QE 1 27 GLY QA 4.000 . 6.500 4.482 2.099 6.457 . 0 0 "[ . 1 . 2]" 1
109 1 19 GLN HE21 1 20 ARG H 4.000 . 6.500 5.211 2.976 6.488 . 0 0 "[ . 1 . 2]" 1
110 1 19 GLN HE21 1 21 LEU MD1 4.000 . 6.500 5.193 2.542 6.487 . 0 0 "[ . 1 . 2]" 1
111 1 19 GLN QG 1 20 ARG H 4.000 . 6.000 3.376 2.234 4.349 . 0 0 "[ . 1 . 2]" 1
112 1 19 GLN QG 1 20 ARG H 4.000 . 6.500 3.121 2.229 3.956 . 0 0 "[ . 1 . 2]" 1
113 1 19 GLN QG 1 27 GLY QA 4.000 . 6.000 4.679 3.006 6.000 0.000 10 0 "[ . 1 . 2]" 1
114 1 20 ARG H 1 20 ARG QB 3.500 . 4.000 2.311 2.084 2.947 . 0 0 "[ . 1 . 2]" 1
115 1 20 ARG H 1 20 ARG QD 4.000 . 6.500 4.238 1.807 4.734 . 0 0 "[ . 1 . 2]" 1
116 1 20 ARG H 1 20 ARG HE 4.000 . 6.500 4.051 3.105 4.909 . 0 0 "[ . 1 . 2]" 1
117 1 20 ARG H 1 20 ARG QG 4.000 . 5.000 2.777 1.802 3.653 . 0 0 "[ . 1 . 2]" 1
118 1 20 ARG H 1 26 ALA HA 4.000 . 6.000 5.053 4.204 6.005 0.005 8 0 "[ . 1 . 2]" 1
119 1 20 ARG H 1 27 GLY H 4.000 . 6.500 4.060 3.127 5.040 . 0 0 "[ . 1 . 2]" 1
120 1 20 ARG H 1 28 ARG H 4.000 . 6.500 4.366 3.553 5.455 . 0 0 "[ . 1 . 2]" 1
121 1 20 ARG H 1 29 PHE HA 4.000 . 6.500 3.919 3.114 4.454 . 0 0 "[ . 1 . 2]" 1
122 1 20 ARG H 1 29 PHE QD 4.000 . 6.500 5.478 4.685 6.013 . 0 0 "[ . 1 . 2]" 1
123 1 20 ARG HA 1 20 ARG QD 4.000 . 6.000 3.885 2.207 4.511 . 0 0 "[ . 1 . 2]" 1
124 1 20 ARG HA 1 20 ARG HE 4.000 . 6.500 4.751 4.346 5.723 . 0 0 "[ . 1 . 2]" 1
125 1 20 ARG HA 1 20 ARG HE 4.000 . 6.500 4.467 3.875 5.100 . 0 0 "[ . 1 . 2]" 1
126 1 20 ARG HA 1 21 LEU H 3.500 . 3.800 2.196 2.134 2.384 . 0 0 "[ . 1 . 2]" 1
127 1 20 ARG HA 1 21 LEU MD1 4.000 . 6.000 4.622 2.881 5.199 . 0 0 "[ . 1 . 2]" 1
128 1 20 ARG HA 1 22 PHE H 4.000 . 6.000 4.603 3.331 5.846 . 0 0 "[ . 1 . 2]" 1
129 1 20 ARG QB 1 20 ARG HE 4.000 . 5.000 2.954 2.300 4.335 . 0 0 "[ . 1 . 2]" 1
130 1 20 ARG QB 1 21 LEU H 4.000 . 6.500 3.192 2.424 3.537 . 0 0 "[ . 1 . 2]" 1
131 1 20 ARG QB 1 22 PHE H 4.000 . 6.500 3.795 2.937 4.935 . 0 0 "[ . 1 . 2]" 1
132 1 20 ARG QB 1 25 THR H 4.000 . 6.000 5.800 4.677 6.014 0.014 7 0 "[ . 1 . 2]" 1
133 1 20 ARG QB 1 26 ALA HA 4.000 . 5.000 3.029 2.122 4.833 . 0 0 "[ . 1 . 2]" 1
134 1 20 ARG QB 1 26 ALA MB 4.000 . 6.000 3.918 2.411 5.661 . 0 0 "[ . 1 . 2]" 1
135 1 20 ARG QB 1 27 GLY H 4.000 . 5.000 3.385 1.799 5.002 0.002 3 0 "[ . 1 . 2]" 1
136 1 20 ARG QD 1 22 PHE QD 4.000 . 6.000 4.884 2.597 6.035 0.035 7 0 "[ . 1 . 2]" 1
137 1 20 ARG QD 1 25 THR HB 4.000 . 6.000 4.375 2.627 5.420 . 0 0 "[ . 1 . 2]" 1
138 1 20 ARG QD 1 25 THR MG 4.000 . 6.000 4.769 3.859 5.520 . 0 0 "[ . 1 . 2]" 1
139 1 20 ARG QD 1 28 ARG H 4.000 . 6.500 4.380 2.015 6.002 . 0 0 "[ . 1 . 2]" 1
140 1 20 ARG QD 2 5 5CM H6 4.000 . 6.000 4.186 2.708 5.872 . 0 0 "[ . 1 . 2]" 1
141 1 20 ARG HE 1 20 ARG QG 3.500 . 4.000 2.312 2.089 2.776 . 0 0 "[ . 1 . 2]" 1
142 1 20 ARG HE 1 30 ASP QB 4.000 . 6.500 4.028 3.402 4.662 . 0 0 "[ . 1 . 2]" 1
143 1 20 ARG QG 1 21 LEU H 4.000 . 6.500 3.636 2.420 4.525 . 0 0 "[ . 1 . 2]" 1
144 1 20 ARG QG 1 22 PHE H 4.000 . 6.500 4.927 3.336 6.435 . 0 0 "[ . 1 . 2]" 1
145 1 20 ARG QG 1 28 ARG H 4.000 . 6.500 4.813 2.686 5.847 . 0 0 "[ . 1 . 2]" 1
146 1 21 LEU H 1 21 LEU MD1 4.000 . 6.500 3.625 2.290 4.092 . 0 0 "[ . 1 . 2]" 1
147 1 21 LEU H 1 21 LEU HG 4.000 . 6.500 4.125 3.709 4.381 . 0 0 "[ . 1 . 2]" 1
148 1 21 LEU H 1 22 PHE H 3.500 . 4.000 3.082 2.004 4.014 0.014 4 0 "[ . 1 . 2]" 1
149 1 21 LEU HA 1 21 LEU MD1 2.500 . 2.700 2.190 2.019 2.713 0.013 13 0 "[ . 1 . 2]" 1
150 1 21 LEU HA 1 21 LEU HG 4.000 . 6.000 3.356 2.284 3.704 . 0 0 "[ . 1 . 2]" 1
151 1 21 LEU HA 1 22 PHE H 4.000 . 6.000 2.943 2.176 3.493 . 0 0 "[ . 1 . 2]" 1
152 1 21 LEU HA 1 26 ALA HA 4.000 . 6.000 4.563 2.796 6.002 0.002 7 0 "[ . 1 . 2]" 1
153 1 21 LEU HA 1 26 ALA MB 4.000 . 6.000 3.550 2.206 5.898 . 0 0 "[ . 1 . 2]" 1
154 1 21 LEU QB 1 22 PHE H 4.000 . 6.000 3.133 1.778 3.766 0.022 7 0 "[ . 1 . 2]" 1
155 1 21 LEU QB 1 22 PHE QD 4.000 . 6.000 3.706 2.255 5.093 . 0 0 "[ . 1 . 2]" 1
156 1 21 LEU MD1 1 22 PHE H 4.000 . 6.500 4.099 3.421 4.740 . 0 0 "[ . 1 . 2]" 1
157 1 22 PHE H 1 22 PHE QD 4.000 . 6.500 3.120 2.122 3.790 . 0 0 "[ . 1 . 2]" 1
158 1 22 PHE H 1 26 ALA HA 4.000 . 6.000 3.922 2.061 5.439 . 0 0 "[ . 1 . 2]" 1
159 1 22 PHE H 1 26 ALA MB 4.000 . 6.000 2.992 1.799 4.773 0.001 12 0 "[ . 1 . 2]" 1
160 1 22 PHE HA 1 22 PHE QD 4.000 . 5.000 2.625 1.961 3.183 . 0 0 "[ . 1 . 2]" 1
161 1 22 PHE HA 1 23 GLY H 3.500 . 3.800 2.735 2.185 3.524 . 0 0 "[ . 1 . 2]" 1
162 1 22 PHE HA 1 26 ALA MB 4.000 . 5.000 3.299 1.977 4.002 . 0 0 "[ . 1 . 2]" 1
163 1 22 PHE QB 1 23 GLY H 4.000 . 5.000 2.436 1.793 3.002 0.007 12 0 "[ . 1 . 2]" 1
164 1 22 PHE QD 1 23 GLY H 4.000 . 6.500 4.026 3.607 4.520 . 0 0 "[ . 1 . 2]" 1
165 1 23 GLY H 1 24 LYS H 4.000 . 6.500 3.652 2.358 4.619 . 0 0 "[ . 1 . 2]" 1
166 1 23 GLY H 1 24 LYS QB 4.000 . 6.500 5.249 3.998 6.498 . 0 0 "[ . 1 . 2]" 1
167 1 23 GLY H 1 24 LYS QG 4.000 . 6.500 5.721 3.001 6.524 0.024 3 0 "[ . 1 . 2]" 1
168 1 23 GLY H 1 26 ALA MB 4.000 . 6.000 2.735 1.795 3.795 0.005 3 0 "[ . 1 . 2]" 1
169 1 23 GLY QA 1 24 LYS H 3.500 . 4.000 2.289 2.112 2.571 . 0 0 "[ . 1 . 2]" 1
170 1 23 GLY QA 1 25 THR H 4.000 . 6.000 3.547 2.967 4.253 . 0 0 "[ . 1 . 2]" 1
171 1 24 LYS H 1 24 LYS QB 2.500 . 2.900 2.317 2.147 2.648 . 0 0 "[ . 1 . 2]" 1
172 1 24 LYS H 1 24 LYS QD 4.000 . 6.500 3.969 1.797 4.709 0.003 7 0 "[ . 1 . 2]" 1
173 1 24 LYS H 1 24 LYS QG 4.000 . 5.000 3.266 1.917 4.028 . 0 0 "[ . 1 . 2]" 1
174 1 24 LYS H 1 25 THR H 4.000 . 5.000 2.593 2.208 2.806 . 0 0 "[ . 1 . 2]" 1
175 1 24 LYS H 1 25 THR MG 4.000 . 6.500 4.185 3.346 4.709 . 0 0 "[ . 1 . 2]" 1
176 1 24 LYS H 1 26 ALA H 4.000 . 6.500 3.787 3.484 4.134 . 0 0 "[ . 1 . 2]" 1
177 1 24 LYS H 2 6 DG H8 4.000 . 6.000 5.070 2.940 6.007 0.007 9 0 "[ . 1 . 2]" 1
178 1 24 LYS HA 1 24 LYS QD 4.000 . 6.000 3.652 2.090 4.382 . 0 0 "[ . 1 . 2]" 1
179 1 24 LYS HA 1 25 THR H 4.000 . 6.500 3.497 3.334 3.559 . 0 0 "[ . 1 . 2]" 1
180 1 24 LYS HA 1 26 ALA H 4.000 . 6.500 3.988 3.356 4.598 . 0 0 "[ . 1 . 2]" 1
181 1 24 LYS QB 1 24 LYS QD 2.500 . 2.700 2.216 2.092 2.419 . 0 0 "[ . 1 . 2]" 1
182 1 24 LYS QB 1 24 LYS QE 4.000 . 6.000 2.820 2.052 3.745 . 0 0 "[ . 1 . 2]" 1
183 1 24 LYS QB 1 25 THR H 4.000 . 6.000 2.918 2.430 3.572 . 0 0 "[ . 1 . 2]" 1
184 1 24 LYS QB 1 25 THR HA 4.000 . 6.000 4.262 3.888 4.640 . 0 0 "[ . 1 . 2]" 1
185 1 24 LYS QB 1 25 THR MG 3.500 . 3.800 3.099 2.591 3.809 0.009 18 0 "[ . 1 . 2]" 1
186 1 24 LYS QB 1 26 ALA H 4.000 . 6.500 4.518 4.174 5.045 . 0 0 "[ . 1 . 2]" 1
187 1 24 LYS QD 1 25 THR MG 4.000 . 6.000 3.980 2.297 4.804 . 0 0 "[ . 1 . 2]" 1
188 1 24 LYS QE 1 25 THR HB 4.000 . 6.000 5.879 5.315 6.008 0.008 12 0 "[ . 1 . 2]" 1
189 1 24 LYS QG 1 26 ALA H 4.000 . 6.500 4.760 3.317 5.511 . 0 0 "[ . 1 . 2]" 1
190 1 25 THR H 1 25 THR MG 3.500 . 3.800 2.518 2.131 2.876 . 0 0 "[ . 1 . 2]" 1
191 1 25 THR H 1 26 ALA H 3.500 . 4.000 2.297 1.982 2.740 . 0 0 "[ . 1 . 2]" 1
192 1 25 THR H 2 6 DG H8 4.000 . 5.000 4.171 3.713 4.791 . 0 0 "[ . 1 . 2]" 1
193 1 25 THR HA 1 25 THR MG 3.500 . 3.800 2.293 2.203 2.518 . 0 0 "[ . 1 . 2]" 1
194 1 25 THR HA 1 26 ALA H 4.000 . 5.000 3.304 2.986 3.464 . 0 0 "[ . 1 . 2]" 1
195 1 25 THR HA 1 26 ALA MB 4.000 . 6.000 4.699 4.470 4.808 . 0 0 "[ . 1 . 2]" 1
196 1 25 THR HB 1 26 ALA H 4.000 . 6.500 4.234 3.923 4.503 . 0 0 "[ . 1 . 2]" 1
197 1 25 THR HB 1 28 ARG H 4.000 . 6.000 4.649 3.624 5.474 . 0 0 "[ . 1 . 2]" 1
198 1 25 THR MG 1 26 ALA H 4.000 . 6.000 4.100 3.963 4.308 . 0 0 "[ . 1 . 2]" 1
199 1 25 THR MG 1 28 ARG H 4.000 . 6.500 5.840 5.038 6.500 . 5 0 "[ . 1 . 2]" 1
200 1 25 THR MG 2 6 DG H2' 4.000 . 6.000 3.452 2.562 4.529 . 0 0 "[ . 1 . 2]" 1
201 1 25 THR MG 2 6 DG H2'' 4.000 . 6.000 4.289 3.574 5.248 . 0 0 "[ . 1 . 2]" 1
202 1 25 THR MG 2 6 DG H8 4.000 . 5.000 2.673 2.113 3.358 . 0 0 "[ . 1 . 2]" 1
203 1 25 THR MG 2 7 DG H8 4.000 . 5.000 4.213 3.371 4.940 . 0 0 "[ . 1 . 2]" 1
204 1 26 ALA H 1 26 ALA MB 2.500 . 2.700 2.198 2.078 2.295 . 0 0 "[ . 1 . 2]" 1
205 1 26 ALA H 1 27 GLY H 4.000 . 6.500 4.555 4.293 4.658 . 0 0 "[ . 1 . 2]" 1
206 1 26 ALA H 2 6 DG H8 4.000 . 6.000 5.985 5.713 6.008 0.008 7 0 "[ . 1 . 2]" 1
207 1 26 ALA HA 1 27 GLY H 3.500 . 3.800 2.235 2.134 2.391 . 0 0 "[ . 1 . 2]" 1
208 1 26 ALA HA 1 27 GLY QA 4.000 . 6.000 3.982 3.906 4.070 . 0 0 "[ . 1 . 2]" 1
209 1 26 ALA HA 1 28 ARG H 4.000 . 6.000 3.286 2.989 3.652 . 0 0 "[ . 1 . 2]" 1
210 1 26 ALA MB 1 27 GLY H 4.000 . 5.000 2.888 2.375 3.429 . 0 0 "[ . 1 . 2]" 1
211 1 26 ALA MB 1 27 GLY QA 4.000 . 6.000 3.617 3.445 3.817 . 0 0 "[ . 1 . 2]" 1
212 1 26 ALA MB 1 28 ARG H 4.000 . 6.500 4.356 4.043 4.638 . 0 0 "[ . 1 . 2]" 1
213 1 27 GLY H 1 28 ARG H 4.000 . 5.000 2.373 2.065 2.611 . 0 0 "[ . 1 . 2]" 1
214 1 27 GLY QA 1 28 ARG H 4.000 . 6.000 2.893 2.848 2.921 . 0 0 "[ . 1 . 2]" 1
215 1 28 ARG H 1 28 ARG HE 4.000 . 6.500 4.446 1.925 6.501 0.001 15 0 "[ . 1 . 2]" 1
216 1 28 ARG H 1 28 ARG QG 4.000 . 6.000 3.368 1.804 4.088 . 0 0 "[ . 1 . 2]" 1
217 1 28 ARG H 1 29 PHE H 4.000 . 6.500 4.610 4.531 4.640 . 0 0 "[ . 1 . 2]" 1
218 1 28 ARG HA 1 28 ARG HE 4.000 . 6.500 3.533 1.932 5.008 . 0 0 "[ . 1 . 2]" 1
219 1 28 ARG HA 1 29 PHE H 3.500 . 4.000 2.346 2.200 2.541 . 0 0 "[ . 1 . 2]" 1
220 1 28 ARG QB 1 28 ARG HE 4.000 . 5.000 3.123 1.803 4.217 . 0 0 "[ . 1 . 2]" 1
221 1 28 ARG QB 1 29 PHE H 4.000 . 6.000 2.877 2.221 3.653 . 0 0 "[ . 1 . 2]" 1
222 1 29 PHE H 1 29 PHE QD 4.000 . 6.500 2.656 2.360 2.897 . 0 0 "[ . 1 . 2]" 1
223 1 29 PHE H 1 31 VAL MG1 4.000 . 6.500 5.619 5.261 5.938 . 0 0 "[ . 1 . 2]" 1
224 1 29 PHE HA 1 30 ASP H 4.000 . 5.000 2.165 2.137 2.220 . 0 0 "[ . 1 . 2]" 1
225 1 29 PHE QB 1 30 ASP H 4.000 . 6.000 3.128 2.863 3.264 . 0 0 "[ . 1 . 2]" 1
226 1 29 PHE QB 1 31 VAL MG1 4.000 . 5.000 3.110 2.895 3.298 . 0 0 "[ . 1 . 2]" 1
227 1 29 PHE QB 1 68 VAL MG1 4.000 . 6.000 5.098 2.972 5.987 . 0 0 "[ . 1 . 2]" 1
228 1 29 PHE QD 1 30 ASP H 4.000 . 6.500 3.995 3.786 4.213 . 0 0 "[ . 1 . 2]" 1
229 1 30 ASP H 1 31 VAL MG1 4.000 . 6.500 3.597 3.430 3.763 . 0 0 "[ . 1 . 2]" 1
230 1 30 ASP HA 1 31 VAL H 3.500 . 4.000 2.148 2.130 2.177 . 0 0 "[ . 1 . 2]" 1
231 1 30 ASP HA 1 31 VAL MG1 4.000 . 6.000 3.383 3.064 3.572 . 0 0 "[ . 1 . 2]" 1
232 1 30 ASP QB 1 31 VAL H 4.000 . 6.500 3.202 2.983 3.352 . 0 0 "[ . 1 . 2]" 1
233 1 31 VAL H 1 31 VAL HB 4.000 . 5.000 3.876 3.783 3.925 . 0 0 "[ . 1 . 2]" 1
234 1 31 VAL H 1 31 VAL MG1 4.000 . 5.000 2.633 2.371 2.841 . 0 0 "[ . 1 . 2]" 1
235 1 31 VAL H 1 31 VAL MG2 4.000 . 6.500 2.254 2.031 2.648 . 0 0 "[ . 1 . 2]" 1
236 1 31 VAL HA 1 32 TYR H 3.500 . 4.000 2.280 2.255 2.312 . 0 0 "[ . 1 . 2]" 1
237 1 31 VAL HB 1 32 TYR H 4.000 . 6.500 2.821 2.718 2.955 . 0 0 "[ . 1 . 2]" 1
238 1 31 VAL HB 1 66 PHE HA 4.000 . 6.000 5.306 4.220 5.991 . 0 0 "[ . 1 . 2]" 1
239 1 31 VAL HB 1 66 PHE QD 4.000 . 6.000 5.627 4.523 6.002 0.002 12 0 "[ . 1 . 2]" 1
240 1 31 VAL MG1 1 32 TYR H 4.000 . 5.000 4.023 3.921 4.180 . 0 0 "[ . 1 . 2]" 1
241 1 31 VAL MG1 1 66 PHE HA 4.000 . 6.000 5.317 4.648 5.981 . 0 0 "[ . 1 . 2]" 1
242 1 31 VAL MG1 1 67 THR H 4.000 . 6.500 5.755 3.646 6.507 0.007 4 0 "[ . 1 . 2]" 1
243 1 31 VAL MG1 1 68 VAL HA 4.000 . 6.000 4.928 2.595 6.000 0.000 2 0 "[ . 1 . 2]" 1
244 1 31 VAL MG2 1 32 TYR H 4.000 . 5.000 3.362 2.984 3.556 . 0 0 "[ . 1 . 2]" 1
245 1 31 VAL MG2 1 66 PHE HA 4.000 . 5.000 3.172 2.425 3.927 . 0 0 "[ . 1 . 2]" 1
246 1 31 VAL MG2 1 66 PHE QB 4.000 . 6.000 2.992 2.226 4.161 . 0 0 "[ . 1 . 2]" 1
247 1 31 VAL MG2 1 66 PHE QD 4.000 . 6.000 2.888 2.192 3.372 . 0 0 "[ . 1 . 2]" 1
248 1 31 VAL MG2 1 67 THR H 4.000 . 6.500 4.245 2.203 5.144 . 0 0 "[ . 1 . 2]" 1
249 1 32 TYR H 1 32 TYR QD 4.000 . 6.000 3.060 2.703 3.198 . 0 0 "[ . 1 . 2]" 1
250 1 32 TYR H 1 32 TYR QE 4.000 . 6.000 4.219 4.120 4.316 . 0 0 "[ . 1 . 2]" 1
251 1 32 TYR HA 1 32 TYR QD 4.000 . 6.000 3.683 3.634 3.701 . 0 0 "[ . 1 . 2]" 1
252 1 32 TYR HA 1 33 PHE H 4.000 . 5.000 2.375 2.312 2.460 . 0 0 "[ . 1 . 2]" 1
253 1 32 TYR HA 1 42 ARG HA 4.000 . 6.000 3.848 3.405 4.178 . 0 0 "[ . 1 . 2]" 1
254 1 32 TYR QD 1 33 PHE H 4.000 . 6.500 3.584 3.268 3.957 . 0 0 "[ . 1 . 2]" 1
255 1 32 TYR QD 1 33 PHE HA 4.000 . 6.000 3.920 3.574 4.245 . 0 0 "[ . 1 . 2]" 1
256 1 32 TYR QD 1 33 PHE QB 4.000 . 6.000 5.026 4.740 5.357 . 0 0 "[ . 1 . 2]" 1
257 1 32 TYR QD 1 40 LYS QB 4.000 . 6.000 3.796 2.698 5.088 . 0 0 "[ . 1 . 2]" 1
258 1 32 TYR QD 1 40 LYS QD 4.000 . 6.000 4.060 2.820 5.526 . 0 0 "[ . 1 . 2]" 1
259 1 32 TYR QD 1 40 LYS QE 4.000 . 6.000 4.297 2.801 5.498 . 0 0 "[ . 1 . 2]" 1
260 1 32 TYR QD 1 40 LYS QG 4.000 . 6.000 3.312 2.237 4.962 . 0 0 "[ . 1 . 2]" 1
261 1 32 TYR QD 1 41 PHE H 4.000 . 6.500 3.806 3.425 4.220 . 0 0 "[ . 1 . 2]" 1
262 1 32 TYR QD 1 42 ARG H 4.000 . 6.500 6.403 6.236 6.502 0.002 10 0 "[ . 1 . 2]" 1
263 1 32 TYR QD 1 42 ARG HA 4.000 . 6.000 5.186 4.725 5.572 . 0 0 "[ . 1 . 2]" 1
264 1 32 TYR QD 1 42 ARG QG 4.000 . 6.000 5.204 3.147 6.005 0.005 16 0 "[ . 1 . 2]" 1
265 1 32 TYR QE 1 34 ILE QG 4.000 . 6.000 2.657 2.179 3.232 . 0 0 "[ . 1 . 2]" 1
266 1 32 TYR QE 1 40 LYS QD 4.000 . 6.000 3.657 2.420 5.045 . 0 0 "[ . 1 . 2]" 1
267 1 32 TYR QE 1 40 LYS QG 4.000 . 6.000 3.480 2.422 5.376 . 0 0 "[ . 1 . 2]" 1
268 1 33 PHE H 1 41 PHE H 4.000 . 6.500 3.889 3.189 4.733 . 0 0 "[ . 1 . 2]" 1
269 1 33 PHE H 1 43 SER H 4.000 . 6.500 6.358 5.937 6.502 0.002 20 0 "[ . 1 . 2]" 1
270 1 33 PHE HA 1 34 ILE H 4.000 . 5.000 2.220 2.178 2.270 . 0 0 "[ . 1 . 2]" 1
271 1 33 PHE QB 1 34 ILE H 4.000 . 6.000 2.908 2.747 3.078 . 0 0 "[ . 1 . 2]" 1
272 1 33 PHE QB 1 41 PHE H 4.000 . 6.500 4.944 4.061 5.862 . 0 0 "[ . 1 . 2]" 1
273 1 33 PHE QB 1 47 LEU MD1 4.000 . 6.000 5.081 4.099 5.674 . 0 0 "[ . 1 . 2]" 1
274 1 33 PHE QB 1 47 LEU MD2 4.000 . 6.000 5.172 4.301 5.830 . 0 0 "[ . 1 . 2]" 1
275 1 34 ILE H 1 34 ILE HB 4.000 . 6.000 2.654 2.398 2.805 . 0 0 "[ . 1 . 2]" 1
276 1 34 ILE H 1 34 ILE MD 4.000 . 6.500 3.736 1.857 3.939 . 0 0 "[ . 1 . 2]" 1
277 1 34 ILE H 1 34 ILE QG 4.000 . 6.000 2.573 2.420 2.788 . 0 0 "[ . 1 . 2]" 1
278 1 34 ILE H 1 34 ILE MG 4.000 . 6.000 3.854 3.741 3.888 . 0 0 "[ . 1 . 2]" 1
279 1 34 ILE HA 1 35 SER H 3.500 . 4.000 2.164 2.135 2.301 . 0 0 "[ . 1 . 2]" 1
280 1 34 ILE MD 1 40 LYS QB 4.000 . 6.000 3.992 2.098 5.291 . 0 0 "[ . 1 . 2]" 1
281 1 34 ILE MD 1 40 LYS QD 4.000 . 6.000 3.901 2.770 4.808 . 0 0 "[ . 1 . 2]" 1
282 1 34 ILE MG 1 35 SER H 4.000 . 5.000 2.611 1.845 2.884 . 0 0 "[ . 1 . 2]" 1
283 1 34 ILE MG 1 38 GLY H 4.000 . 5.000 3.317 2.956 3.798 . 0 0 "[ . 1 . 2]" 1
284 1 34 ILE MG 1 38 GLY QA 4.000 . 5.000 2.552 2.038 3.141 . 0 0 "[ . 1 . 2]" 1
285 1 34 ILE MG 1 39 LEU H 4.000 . 6.000 3.420 2.831 4.205 . 0 0 "[ . 1 . 2]" 1
286 1 34 ILE MG 1 40 LYS HA 4.000 . 6.000 3.038 2.309 4.049 . 0 0 "[ . 1 . 2]" 1
287 1 34 ILE MG 1 40 LYS QE 4.000 . 6.000 4.530 2.409 5.760 . 0 0 "[ . 1 . 2]" 1
288 1 34 ILE MG 1 40 LYS QG 4.000 . 6.000 3.261 2.261 4.675 . 0 0 "[ . 1 . 2]" 1
289 1 35 SER H 1 38 GLY H 4.000 . 6.500 4.287 3.727 4.849 . 0 0 "[ . 1 . 2]" 1
290 1 35 SER H 1 38 GLY QA 4.000 . 6.500 4.791 3.753 5.586 . 0 0 "[ . 1 . 2]" 1
291 1 35 SER H 1 39 LEU H 4.000 . 6.500 3.767 3.139 4.515 . 0 0 "[ . 1 . 2]" 1
292 1 35 SER H 1 41 PHE H 4.000 . 6.500 4.839 4.158 5.654 . 0 0 "[ . 1 . 2]" 1
293 1 35 SER HA 1 36 PRO QD 4.000 . 5.000 2.110 1.998 2.174 . 0 0 "[ . 1 . 2]" 1
294 1 35 SER QB 1 36 PRO QD 4.000 . 6.000 2.157 1.965 2.355 . 0 0 "[ . 1 . 2]" 1
295 1 35 SER QB 1 50 TYR QE 4.000 . 6.000 3.382 2.705 4.436 . 0 0 "[ . 1 . 2]" 1
296 1 36 PRO QB 1 37 GLN HE21 4.000 . 6.500 4.536 2.820 6.495 . 0 0 "[ . 1 . 2]" 1
297 1 36 PRO QB 1 37 GLN QE 4.000 . 6.500 4.025 2.516 5.624 . 0 0 "[ . 1 . 2]" 1
298 1 36 PRO QD 1 37 GLN H 4.000 . 6.500 2.785 2.504 3.007 . 0 0 "[ . 1 . 2]" 1
299 1 36 PRO QD 1 38 GLY H 4.000 . 6.500 4.470 4.198 4.764 . 0 0 "[ . 1 . 2]" 1
300 1 37 GLN H 1 38 GLY H 3.500 . 4.000 2.543 2.460 2.666 . 0 0 "[ . 1 . 2]" 1
301 1 37 GLN H 1 38 GLY QA 4.000 . 6.000 4.476 4.400 4.565 . 0 0 "[ . 1 . 2]" 1
302 1 37 GLN HA 1 38 GLY H 4.000 . 6.500 3.346 3.236 3.446 . 0 0 "[ . 1 . 2]" 1
303 1 37 GLN QB 1 38 GLY H 4.000 . 6.500 3.256 3.005 3.732 . 0 0 "[ . 1 . 2]" 1
304 1 37 GLN QB 1 39 LEU H 4.000 . 6.500 2.824 2.550 3.971 . 0 0 "[ . 1 . 2]" 1
305 1 37 GLN QB 1 39 LEU MD1 4.000 . 6.000 3.524 2.269 5.440 . 0 0 "[ . 1 . 2]" 1
306 1 37 GLN QB 1 39 LEU HG 4.000 . 6.000 3.276 2.248 4.936 . 0 0 "[ . 1 . 2]" 1
307 1 37 GLN QG 1 38 GLY H 4.000 . 6.500 4.348 2.744 4.877 . 0 0 "[ . 1 . 2]" 1
308 1 37 GLN QG 1 39 LEU HG 4.000 . 6.000 4.587 2.842 5.940 . 0 0 "[ . 1 . 2]" 1
309 1 38 GLY H 1 39 LEU H 4.000 . 5.000 2.355 2.130 2.576 . 0 0 "[ . 1 . 2]" 1
310 1 38 GLY H 1 39 LEU QB 4.000 . 6.500 4.307 3.892 4.675 . 0 0 "[ . 1 . 2]" 1
311 1 38 GLY H 1 39 LEU HG 4.000 . 6.500 5.252 3.392 6.502 0.002 3 0 "[ . 1 . 2]" 1
312 1 38 GLY QA 1 39 LEU H 4.000 . 6.500 2.908 2.864 2.925 . 0 0 "[ . 1 . 2]" 1
313 1 39 LEU H 1 39 LEU HG 4.000 . 5.000 3.247 1.802 4.316 . 0 0 "[ . 1 . 2]" 1
314 1 39 LEU H 1 40 LYS H 4.000 . 6.500 4.573 4.485 4.611 . 0 0 "[ . 1 . 2]" 1
315 1 39 LEU HA 1 39 LEU HG 4.000 . 6.000 3.221 2.316 3.603 . 0 0 "[ . 1 . 2]" 1
316 1 39 LEU HA 1 40 LYS H 2.500 . 2.900 2.207 2.135 2.277 . 0 0 "[ . 1 . 2]" 1
317 1 39 LEU QB 1 40 LYS H 4.000 . 6.000 3.011 2.723 3.455 . 0 0 "[ . 1 . 2]" 1
318 1 39 LEU MD1 1 40 LYS H 4.000 . 6.500 3.668 2.047 4.967 . 0 0 "[ . 1 . 2]" 1
319 1 39 LEU MD2 1 40 LYS H 4.000 . 6.500 3.864 3.261 4.837 . 0 0 "[ . 1 . 2]" 1
320 1 39 LEU HG 1 40 LYS H 4.000 . 6.000 4.800 3.567 5.275 . 0 0 "[ . 1 . 2]" 1
321 1 39 LEU HG 1 50 TYR QE 4.000 . 6.000 4.284 2.746 5.241 . 0 0 "[ . 1 . 2]" 1
322 1 40 LYS H 1 40 LYS QD 4.000 . 6.000 4.080 2.398 5.001 . 0 0 "[ . 1 . 2]" 1
323 1 40 LYS H 1 40 LYS QG 4.000 . 5.000 3.094 1.827 4.083 . 0 0 "[ . 1 . 2]" 1
324 1 40 LYS H 1 41 PHE H 4.000 . 6.500 4.527 4.484 4.579 . 0 0 "[ . 1 . 2]" 1
325 1 40 LYS HA 1 41 PHE H 3.500 . 4.000 2.224 2.181 2.285 . 0 0 "[ . 1 . 2]" 1
326 1 40 LYS QB 1 40 LYS QE 4.000 . 6.000 2.736 2.092 3.653 . 0 0 "[ . 1 . 2]" 1
327 1 40 LYS QB 1 41 PHE H 4.000 . 6.000 3.145 2.687 3.645 . 0 0 "[ . 1 . 2]" 1
328 1 40 LYS QG 1 41 PHE H 4.000 . 6.000 3.263 1.889 4.184 . 0 0 "[ . 1 . 2]" 1
329 1 41 PHE H 1 41 PHE QD 4.000 . 6.500 3.450 3.169 3.902 . 0 0 "[ . 1 . 2]" 1
330 1 41 PHE H 1 42 ARG QB 4.000 . 6.500 4.907 4.555 5.495 . 0 0 "[ . 1 . 2]" 1
331 1 41 PHE HA 1 42 ARG H 4.000 . 5.000 2.215 2.156 2.292 . 0 0 "[ . 1 . 2]" 1
332 1 41 PHE HA 1 43 SER H 4.000 . 6.500 3.634 3.447 3.836 . 0 0 "[ . 1 . 2]" 1
333 1 41 PHE QB 1 42 ARG H 4.000 . 6.500 2.943 2.684 3.187 . 0 0 "[ . 1 . 2]" 1
334 1 41 PHE QB 1 43 SER H 4.000 . 6.500 2.978 2.670 3.279 . 0 0 "[ . 1 . 2]" 1
335 1 41 PHE QB 1 47 LEU MD1 4.000 . 5.000 3.039 2.491 3.436 . 0 0 "[ . 1 . 2]" 1
336 1 41 PHE QB 1 47 LEU MD2 4.000 . 6.000 4.146 3.620 4.860 . 0 0 "[ . 1 . 2]" 1
337 1 42 ARG H 1 42 ARG QD 4.000 . 6.500 4.269 3.580 5.146 . 0 0 "[ . 1 . 2]" 1
338 1 42 ARG H 1 42 ARG QG 4.000 . 6.000 2.395 1.981 4.155 . 0 0 "[ . 1 . 2]" 1
339 1 42 ARG H 1 43 SER H 3.500 . 4.000 1.915 1.806 2.123 . 0 0 "[ . 1 . 2]" 1
340 1 42 ARG HA 1 43 SER H 4.000 . 6.500 3.186 3.037 3.303 . 0 0 "[ . 1 . 2]" 1
341 1 42 ARG QB 1 43 SER H 4.000 . 6.500 3.834 3.456 4.013 . 0 0 "[ . 1 . 2]" 1
342 1 42 ARG QG 1 43 SER H 4.000 . 6.500 3.285 2.771 4.423 . 0 0 "[ . 1 . 2]" 1
343 1 43 SER H 1 44 LYS H 4.000 . 6.500 4.379 4.322 4.422 . 0 0 "[ . 1 . 2]" 1
344 1 43 SER H 1 44 LYS HA 4.000 . 6.500 4.909 4.818 4.962 . 0 0 "[ . 1 . 2]" 1
345 1 43 SER H 1 46 SER H 4.000 . 6.500 4.508 4.247 4.825 . 0 0 "[ . 1 . 2]" 1
346 1 43 SER H 1 46 SER HA 4.000 . 6.500 6.039 5.782 6.363 . 0 0 "[ . 1 . 2]" 1
347 1 43 SER H 1 46 SER QB 4.000 . 6.500 3.326 2.765 4.285 . 0 0 "[ . 1 . 2]" 1
348 1 43 SER H 1 47 LEU QB 4.000 . 6.500 4.403 4.093 4.777 . 0 0 "[ . 1 . 2]" 1
349 1 43 SER H 1 47 LEU MD2 4.000 . 6.500 5.809 5.401 6.449 . 0 0 "[ . 1 . 2]" 1
350 1 43 SER HA 1 44 LYS H 4.000 . 6.500 2.236 2.203 2.312 . 0 0 "[ . 1 . 2]" 1
351 1 43 SER QB 1 45 SER H 3.500 . 4.000 3.228 2.737 3.856 . 0 0 "[ . 1 . 2]" 1
352 1 44 LYS H 1 44 LYS QG 4.000 . 6.500 2.784 1.887 3.999 . 0 0 "[ . 1 . 2]" 1
353 1 44 LYS HA 1 47 LEU H 4.000 . 6.000 3.628 3.466 3.811 . 0 0 "[ . 1 . 2]" 1
354 1 44 LYS HA 1 47 LEU MD1 4.000 . 6.000 5.154 4.735 5.601 . 0 0 "[ . 1 . 2]" 1
355 1 44 LYS HA 1 47 LEU MD2 4.000 . 6.000 3.474 3.152 3.852 . 0 0 "[ . 1 . 2]" 1
356 1 44 LYS HA 1 47 LEU HG 4.000 . 6.000 5.249 4.949 5.800 . 0 0 "[ . 1 . 2]" 1
357 1 44 LYS QB 1 45 SER H 4.000 . 6.500 2.845 2.441 3.517 . 0 0 "[ . 1 . 2]" 1
358 1 44 LYS QB 1 46 SER H 4.000 . 6.500 4.273 4.198 4.394 . 0 0 "[ . 1 . 2]" 1
359 1 44 LYS QB 1 48 ALA H 4.000 . 6.500 3.842 2.987 4.395 . 0 0 "[ . 1 . 2]" 1
360 1 44 LYS QG 1 45 SER H 4.000 . 6.500 3.212 1.804 4.312 . 0 0 "[ . 1 . 2]" 1
361 1 45 SER H 1 46 SER H 4.000 . 6.500 2.820 2.735 2.879 . 0 0 "[ . 1 . 2]" 1
362 1 45 SER HA 1 48 ALA H 4.000 . 6.500 3.380 3.163 3.503 . 0 0 "[ . 1 . 2]" 1
363 1 45 SER HA 1 49 ASN H 4.000 . 6.500 4.378 4.030 4.852 . 0 0 "[ . 1 . 2]" 1
364 1 45 SER QB 1 46 SER H 4.000 . 6.500 2.398 2.238 3.108 . 0 0 "[ . 1 . 2]" 1
365 1 46 SER H 1 47 LEU H 4.000 . 6.500 2.844 2.752 2.976 . 0 0 "[ . 1 . 2]" 1
366 1 46 SER H 1 47 LEU QB 4.000 . 6.500 4.590 4.503 4.719 . 0 0 "[ . 1 . 2]" 1
367 1 46 SER HA 1 47 LEU H 4.000 . 6.500 3.551 3.519 3.572 . 0 0 "[ . 1 . 2]" 1
368 1 46 SER HA 1 49 ASN QB 4.000 . 5.000 2.713 2.537 3.033 . 0 0 "[ . 1 . 2]" 1
369 1 46 SER QB 1 47 LEU H 4.000 . 6.500 2.801 2.350 3.476 . 0 0 "[ . 1 . 2]" 1
370 1 47 LEU H 1 47 LEU MD1 4.000 . 6.000 3.952 3.753 4.007 . 0 0 "[ . 1 . 2]" 1
371 1 47 LEU H 1 47 LEU MD2 4.000 . 6.000 4.255 4.228 4.305 . 0 0 "[ . 1 . 2]" 1
372 1 47 LEU H 1 47 LEU HG 4.000 . 6.500 4.437 4.414 4.467 . 0 0 "[ . 1 . 2]" 1
373 1 47 LEU H 1 48 ALA H 4.000 . 5.000 2.696 2.580 2.746 . 0 0 "[ . 1 . 2]" 1
374 1 47 LEU H 1 48 ALA MB 4.000 . 6.000 4.303 4.235 4.378 . 0 0 "[ . 1 . 2]" 1
375 1 47 LEU HA 1 47 LEU MD1 3.500 . 3.800 2.103 2.053 2.264 . 0 0 "[ . 1 . 2]" 1
376 1 47 LEU HA 1 47 LEU MD2 4.000 . 5.000 3.801 3.789 3.827 . 0 0 "[ . 1 . 2]" 1
377 1 47 LEU HA 1 47 LEU HG 4.000 . 6.000 2.988 2.573 3.121 . 0 0 "[ . 1 . 2]" 1
378 1 47 LEU HA 1 50 TYR H 4.000 . 6.500 3.358 3.247 3.494 . 0 0 "[ . 1 . 2]" 1
379 1 47 LEU HA 1 50 TYR QB 4.000 . 6.000 2.535 2.406 2.735 . 0 0 "[ . 1 . 2]" 1
380 1 47 LEU QB 1 48 ALA H 4.000 . 6.000 2.474 2.401 2.551 . 0 0 "[ . 1 . 2]" 1
381 1 47 LEU MD1 1 47 LEU MD2 2.500 . 2.700 1.979 1.863 2.070 . 0 0 "[ . 1 . 2]" 1
382 1 47 LEU MD1 1 48 ALA H 4.000 . 6.000 4.432 4.313 4.751 . 0 0 "[ . 1 . 2]" 1
383 1 47 LEU MD1 1 50 TYR H 4.000 . 6.500 4.429 4.162 4.885 . 0 0 "[ . 1 . 2]" 1
384 1 47 LEU MD1 1 50 TYR QB 4.000 . 6.000 2.929 2.615 3.408 . 0 0 "[ . 1 . 2]" 1
385 1 47 LEU MD1 1 50 TYR QD 4.000 . 5.000 2.303 2.213 2.601 . 0 0 "[ . 1 . 2]" 1
386 1 47 LEU MD1 1 50 TYR QE 3.500 . 3.800 3.796 3.668 3.808 0.008 11 0 "[ . 1 . 2]" 1
387 1 47 LEU MD1 1 51 LEU H 4.000 . 6.000 3.695 3.461 4.523 . 0 0 "[ . 1 . 2]" 1
388 1 47 LEU MD1 1 51 LEU MD1 3.500 . 3.800 2.771 2.165 3.464 . 0 0 "[ . 1 . 2]" 1
389 1 47 LEU MD1 1 51 LEU HG 4.000 . 5.000 2.735 2.279 4.988 . 0 0 "[ . 1 . 2]" 1
390 1 47 LEU MD1 1 64 PHE H 4.000 . 6.000 5.862 5.620 6.003 0.003 8 0 "[ . 1 . 2]" 1
391 1 47 LEU MD1 1 64 PHE QB 4.000 . 6.000 4.491 3.997 4.844 . 0 0 "[ . 1 . 2]" 1
392 1 47 LEU MD1 1 64 PHE QD 4.000 . 6.000 4.664 4.045 6.012 0.012 16 0 "[ . 1 . 2]" 1
393 1 47 LEU MD2 1 48 ALA H 4.000 . 6.000 4.239 4.041 4.377 . 0 0 "[ . 1 . 2]" 1
394 1 47 LEU MD2 1 50 TYR H 4.000 . 6.500 6.201 5.879 6.322 . 0 0 "[ . 1 . 2]" 1
395 1 47 LEU MD2 1 50 TYR QB 4.000 . 6.000 5.174 4.849 5.324 . 0 0 "[ . 1 . 2]" 1
396 1 47 LEU MD2 1 51 LEU H 4.000 . 6.500 5.485 4.961 5.701 . 0 0 "[ . 1 . 2]" 1
397 1 47 LEU MD2 1 51 LEU MD1 3.500 . 3.800 2.770 2.282 3.084 . 0 0 "[ . 1 . 2]" 1
398 1 47 LEU MD2 1 51 LEU HG 4.000 . 6.000 4.296 3.578 5.552 . 0 0 "[ . 1 . 2]" 1
399 1 47 LEU MD2 1 64 PHE H 4.000 . 6.000 3.899 3.404 4.491 . 0 0 "[ . 1 . 2]" 1
400 1 47 LEU MD2 1 64 PHE QB 4.000 . 6.000 3.223 2.520 4.201 . 0 0 "[ . 1 . 2]" 1
401 1 47 LEU MD2 1 64 PHE QD 4.000 . 6.000 2.756 2.041 4.188 . 0 0 "[ . 1 . 2]" 1
402 1 47 LEU HG 1 49 ASN H 4.000 . 6.500 5.014 4.952 5.115 . 0 0 "[ . 1 . 2]" 1
403 1 48 ALA H 1 48 ALA MB 2.500 . 2.700 2.126 2.026 2.235 . 0 0 "[ . 1 . 2]" 1
404 1 48 ALA H 1 49 ASN H 4.000 . 5.000 2.632 2.591 2.687 . 0 0 "[ . 1 . 2]" 1
405 1 48 ALA HA 1 49 ASN H 4.000 . 6.000 3.491 3.472 3.512 . 0 0 "[ . 1 . 2]" 1
406 1 48 ALA HA 1 51 LEU H 4.000 . 6.000 3.811 3.705 3.908 . 0 0 "[ . 1 . 2]" 1
407 1 48 ALA HA 1 51 LEU QB 4.000 . 6.000 2.981 2.726 3.113 . 0 0 "[ . 1 . 2]" 1
408 1 48 ALA HA 1 51 LEU MD1 4.000 . 5.000 2.867 2.538 3.887 . 0 0 "[ . 1 . 2]" 1
409 1 48 ALA HA 1 51 LEU MD2 4.000 . 6.000 4.990 3.691 5.179 . 0 0 "[ . 1 . 2]" 1
410 1 48 ALA HA 1 51 LEU HG 4.000 . 6.000 4.160 3.849 5.877 . 0 0 "[ . 1 . 2]" 1
411 1 48 ALA HA 1 61 PRO QB 4.000 . 6.000 5.370 3.881 5.999 . 0 0 "[ . 1 . 2]" 1
412 1 48 ALA HA 1 61 PRO QG 4.000 . 6.000 3.967 2.991 4.408 . 0 0 "[ . 1 . 2]" 1
413 1 48 ALA MB 1 49 ASN H 3.500 . 3.800 2.799 2.647 2.899 . 0 0 "[ . 1 . 2]" 1
414 1 48 ALA MB 1 49 ASN HA 4.000 . 6.000 3.833 3.777 3.918 . 0 0 "[ . 1 . 2]" 1
415 1 48 ALA MB 1 49 ASN QB 4.000 . 6.000 4.119 3.769 4.400 . 0 0 "[ . 1 . 2]" 1
416 1 48 ALA MB 1 50 TYR H 4.000 . 6.500 4.734 4.616 4.819 . 0 0 "[ . 1 . 2]" 1
417 1 48 ALA MB 1 51 LEU MD1 4.000 . 6.000 4.113 3.845 4.945 . 0 0 "[ . 1 . 2]" 1
418 1 48 ALA MB 1 51 LEU MD2 4.000 . 6.000 5.844 4.605 6.011 0.011 4 0 "[ . 1 . 2]" 1
419 1 48 ALA MB 1 61 PRO QB 4.000 . 5.000 4.211 2.712 4.986 . 0 0 "[ . 1 . 2]" 1
420 1 48 ALA MB 1 61 PRO QD 4.000 . 6.000 4.013 2.776 4.782 . 0 0 "[ . 1 . 2]" 1
421 1 48 ALA MB 1 61 PRO QG 3.500 . 3.800 3.037 2.016 3.770 . 0 0 "[ . 1 . 2]" 1
422 1 49 ASN H 1 49 ASN QB . . 2.900 2.329 2.267 2.444 . 0 0 "[ . 1 . 2]" 1
423 1 49 ASN H 1 49 ASN HD21 4.000 . 6.500 4.322 3.509 4.926 . 0 0 "[ . 1 . 2]" 1
424 1 49 ASN H 1 50 TYR H 4.000 . 5.000 2.497 2.428 2.662 . 0 0 "[ . 1 . 2]" 1
425 1 49 ASN H 1 51 LEU H 4.000 . 6.500 4.054 3.979 4.179 . 0 0 "[ . 1 . 2]" 1
426 1 49 ASN H 1 51 LEU MD1 4.000 . 6.500 5.261 4.821 5.479 . 0 0 "[ . 1 . 2]" 1
427 1 49 ASN HA 1 50 TYR H 4.000 . 6.000 3.549 3.530 3.566 . 0 0 "[ . 1 . 2]" 1
428 1 49 ASN HA 1 52 HIS QB 4.000 . 5.000 2.677 2.427 2.948 . 0 0 "[ . 1 . 2]" 1
429 1 49 ASN QB 1 50 TYR H 4.000 . 5.000 2.457 2.309 2.595 . 0 0 "[ . 1 . 2]" 1
430 1 49 ASN QB 1 53 LYS H 4.000 . 6.500 4.871 4.492 5.264 . 0 0 "[ . 1 . 2]" 1
431 1 50 TYR H 1 50 TYR QD 4.000 . 6.500 4.120 4.087 4.149 . 0 0 "[ . 1 . 2]" 1
432 1 50 TYR H 1 51 LEU H 4.000 . 5.000 2.779 2.712 2.825 . 0 0 "[ . 1 . 2]" 1
433 1 50 TYR H 1 51 LEU MD1 4.000 . 6.500 5.178 3.879 5.395 . 0 0 "[ . 1 . 2]" 1
434 1 50 TYR H 1 51 LEU HG 4.000 . 6.500 4.680 4.376 6.514 0.014 15 0 "[ . 1 . 2]" 1
435 1 50 TYR H 1 52 HIS H 4.000 . 6.500 4.247 4.105 4.392 . 0 0 "[ . 1 . 2]" 1
436 1 50 TYR HA 1 50 TYR QD 4.000 . 6.000 2.576 2.304 2.688 . 0 0 "[ . 1 . 2]" 1
437 1 50 TYR HA 1 50 TYR QE 4.000 . 6.000 4.663 4.576 4.701 . 0 0 "[ . 1 . 2]" 1
438 1 50 TYR HA 1 51 LEU H 4.000 . 6.000 3.559 3.541 3.571 . 0 0 "[ . 1 . 2]" 1
439 1 50 TYR HA 1 53 LYS H 4.000 . 6.000 3.471 3.310 3.604 . 0 0 "[ . 1 . 2]" 1
440 1 50 TYR HA 1 53 LYS QB 4.000 . 6.000 2.572 2.312 2.887 . 0 0 "[ . 1 . 2]" 1
441 1 50 TYR HA 1 53 LYS QD 4.000 . 6.000 3.500 2.321 4.753 . 0 0 "[ . 1 . 2]" 1
442 1 50 TYR QB 1 50 TYR QE 4.000 . 6.000 3.967 3.964 3.982 . 0 0 "[ . 1 . 2]" 1
443 1 50 TYR QB 1 51 LEU H 4.000 . 6.000 2.563 2.514 2.613 . 0 0 "[ . 1 . 2]" 1
444 1 50 TYR QB 1 51 LEU MD2 4.000 . 6.000 4.159 3.839 5.552 . 0 0 "[ . 1 . 2]" 1
445 1 50 TYR QD 1 51 LEU H 4.000 . 6.500 3.110 3.002 3.522 . 0 0 "[ . 1 . 2]" 1
446 1 50 TYR QD 1 51 LEU HA 4.000 . 6.000 3.563 3.389 4.035 . 0 0 "[ . 1 . 2]" 1
447 1 50 TYR QD 1 51 LEU MD2 4.000 . 6.000 2.648 2.278 4.771 . 0 0 "[ . 1 . 2]" 1
448 1 50 TYR QD 1 51 LEU HG 4.000 . 6.000 2.699 2.418 4.396 . 0 0 "[ . 1 . 2]" 1
449 1 50 TYR QD 1 53 LYS QD 4.000 . 6.000 3.932 3.341 4.866 . 0 0 "[ . 1 . 2]" 1
450 1 50 TYR QE 1 51 LEU MD2 4.000 . 6.000 2.715 2.292 5.245 . 0 0 "[ . 1 . 2]" 1
451 1 50 TYR QE 1 53 LYS QD 4.000 . 6.000 5.169 4.218 6.001 0.001 12 0 "[ . 1 . 2]" 1
452 1 50 TYR QE 1 54 ASN QB 4.000 . 6.000 3.739 2.527 4.598 . 0 0 "[ . 1 . 2]" 1
453 1 51 LEU H 1 51 LEU MD1 4.000 . 6.000 3.344 1.918 3.525 . 0 0 "[ . 1 . 2]" 1
454 1 51 LEU H 1 51 LEU MD2 4.000 . 5.000 3.417 3.215 4.161 . 0 0 "[ . 1 . 2]" 1
455 1 51 LEU H 1 51 LEU HG 4.000 . 5.000 2.306 2.063 3.868 . 0 0 "[ . 1 . 2]" 1
456 1 51 LEU H 1 52 HIS H 4.000 . 5.000 2.727 2.598 2.823 . 0 0 "[ . 1 . 2]" 1
457 1 51 LEU H 1 52 HIS QB 4.000 . 6.000 4.483 4.362 4.597 . 0 0 "[ . 1 . 2]" 1
458 1 51 LEU HA 1 51 LEU MD1 4.000 . 6.000 3.693 2.646 3.807 . 0 0 "[ . 1 . 2]" 1
459 1 51 LEU HA 1 51 LEU MD2 4.000 . 5.000 2.252 2.088 3.675 . 0 0 "[ . 1 . 2]" 1
460 1 51 LEU HA 1 51 LEU HG 4.000 . 6.000 2.847 2.094 3.002 . 0 0 "[ . 1 . 2]" 1
461 1 51 LEU HA 1 52 HIS H 4.000 . 6.000 3.548 3.525 3.567 . 0 0 "[ . 1 . 2]" 1
462 1 51 LEU HA 1 54 ASN QB 4.000 . 6.000 3.135 2.541 3.962 . 0 0 "[ . 1 . 2]" 1
463 1 51 LEU HA 1 56 GLU QB 4.000 . 6.000 3.795 3.039 4.787 . 0 0 "[ . 1 . 2]" 1
464 1 51 LEU QB 1 52 HIS H 4.000 . 5.000 2.449 2.314 2.616 . 0 0 "[ . 1 . 2]" 1
465 1 51 LEU QB 1 52 HIS HA 4.000 . 6.000 3.865 3.793 3.895 . 0 0 "[ . 1 . 2]" 1
466 1 51 LEU QB 1 56 GLU QB 4.000 . 6.000 4.064 2.862 5.157 . 0 0 "[ . 1 . 2]" 1
467 1 51 LEU QB 1 61 PRO QG 4.000 . 6.000 5.751 5.087 6.008 0.008 20 0 "[ . 1 . 2]" 1
468 1 51 LEU MD1 1 51 LEU MD2 2.500 . 2.700 2.029 1.917 2.063 . 0 0 "[ . 1 . 2]" 1
469 1 51 LEU MD1 1 52 HIS H 4.000 . 6.500 4.379 4.041 4.495 . 0 0 "[ . 1 . 2]" 1
470 1 51 LEU MD1 1 56 GLU H 4.000 . 6.500 6.240 5.654 6.499 . 0 0 "[ . 1 . 2]" 1
471 1 51 LEU MD1 1 56 GLU QB 4.000 . 6.000 4.960 3.984 5.432 . 0 0 "[ . 1 . 2]" 1
472 1 51 LEU MD1 1 59 LEU H 4.000 . 6.000 3.681 2.716 4.771 . 0 0 "[ . 1 . 2]" 1
473 1 51 LEU MD1 1 59 LEU QB 4.000 . 6.000 2.378 1.933 3.672 . 0 0 "[ . 1 . 2]" 1
474 1 51 LEU MD1 1 60 LYS H 4.000 . 6.500 4.394 3.780 6.282 . 0 0 "[ . 1 . 2]" 1
475 1 51 LEU MD1 1 61 PRO HA 4.000 . 6.000 4.301 3.808 5.330 . 0 0 "[ . 1 . 2]" 1
476 1 51 LEU MD1 1 61 PRO QB 4.000 . 6.000 5.002 3.948 5.577 . 0 0 "[ . 1 . 2]" 1
477 1 51 LEU MD1 1 61 PRO QD 4.000 . 6.000 3.653 2.899 4.958 . 0 0 "[ . 1 . 2]" 1
478 1 51 LEU MD1 1 61 PRO QG 4.000 . 6.000 4.241 3.475 5.911 . 0 0 "[ . 1 . 2]" 1
479 1 51 LEU MD2 1 52 HIS H 4.000 . 6.500 4.598 4.559 4.657 . 0 0 "[ . 1 . 2]" 1
480 1 51 LEU MD2 1 55 GLY H 4.000 . 6.500 5.831 5.447 6.502 0.002 10 0 "[ . 1 . 2]" 1
481 1 51 LEU MD2 1 56 GLU H 4.000 . 6.500 4.693 4.214 5.626 . 0 0 "[ . 1 . 2]" 1
482 1 51 LEU MD2 1 56 GLU QB 4.000 . 6.000 3.308 2.427 4.860 . 0 0 "[ . 1 . 2]" 1
483 1 51 LEU HG 1 52 HIS H 4.000 . 6.500 4.315 4.164 4.957 . 0 0 "[ . 1 . 2]" 1
484 1 52 HIS H 1 52 HIS QB 2.500 . 2.900 2.264 2.252 2.272 . 0 0 "[ . 1 . 2]" 1
485 1 52 HIS H 1 54 ASN H 4.000 . 6.500 4.263 3.917 4.413 . 0 0 "[ . 1 . 2]" 1
486 1 52 HIS HA 1 56 GLU H 4.000 . 5.000 4.513 3.839 4.996 . 0 0 "[ . 1 . 2]" 1
487 1 52 HIS HA 1 57 THR HB 4.000 . 5.000 4.980 4.782 5.005 0.005 1 0 "[ . 1 . 2]" 1
488 1 52 HIS QB 1 53 LYS H 3.500 . 4.000 2.725 2.594 2.855 . 0 0 "[ . 1 . 2]" 1
489 1 52 HIS QB 1 53 LYS QG 4.000 . 6.000 5.007 3.118 5.603 . 0 0 "[ . 1 . 2]" 1
490 1 53 LYS H 1 53 LYS QB . . 2.900 2.267 2.154 2.343 . 0 0 "[ . 1 . 2]" 1
491 1 53 LYS H 1 53 LYS QD 4.000 . 6.000 4.365 3.598 4.752 . 0 0 "[ . 1 . 2]" 1
492 1 53 LYS H 1 53 LYS QG 4.000 . 5.000 3.641 2.335 3.961 . 0 0 "[ . 1 . 2]" 1
493 1 53 LYS H 1 54 ASN H 3.500 . 4.000 2.622 2.389 2.770 . 0 0 "[ . 1 . 2]" 1
494 1 53 LYS HA 1 53 LYS QD 4.000 . 6.000 3.897 2.357 4.154 . 0 0 "[ . 1 . 2]" 1
495 1 53 LYS HA 1 54 ASN H 4.000 . 6.000 3.538 3.434 3.569 . 0 0 "[ . 1 . 2]" 1
496 1 53 LYS QB 1 53 LYS QD . . 2.700 2.190 2.109 2.311 . 0 0 "[ . 1 . 2]" 1
497 1 53 LYS QB 1 53 LYS QE 4.000 . 6.000 2.876 2.115 3.659 . 0 0 "[ . 1 . 2]" 1
498 1 53 LYS QB 1 54 ASN H 4.000 . 5.000 2.544 2.396 3.017 . 0 0 "[ . 1 . 2]" 1
499 1 53 LYS QB 1 54 ASN HA 4.000 . 6.000 4.087 3.899 4.217 . 0 0 "[ . 1 . 2]" 1
500 1 53 LYS QB 1 54 ASN HD21 4.000 . 6.500 5.330 3.259 6.502 0.002 11 0 "[ . 1 . 2]" 1
501 1 53 LYS QB 1 54 ASN QD 4.000 . 6.500 4.877 3.015 6.072 . 0 0 "[ . 1 . 2]" 1
502 1 53 LYS QB 1 55 GLY H 4.000 . 6.500 4.362 4.262 4.582 . 0 0 "[ . 1 . 2]" 1
503 1 53 LYS QG 1 54 ASN H 4.000 . 6.000 3.796 3.429 4.455 . 0 0 "[ . 1 . 2]" 1
504 1 53 LYS QG 1 55 GLY H 4.000 . 6.500 4.921 4.565 5.576 . 0 0 "[ . 1 . 2]" 1
505 1 54 ASN H 1 54 ASN HD21 4.000 . 6.500 4.329 2.614 4.915 . 0 0 "[ . 1 . 2]" 1
506 1 54 ASN H 1 55 GLY H 3.500 . 4.000 2.483 2.273 2.610 . 0 0 "[ . 1 . 2]" 1
507 1 54 ASN HA 1 54 ASN HD21 4.000 . 6.500 3.576 1.812 4.705 . 0 0 "[ . 1 . 2]" 1
508 1 54 ASN HA 1 55 GLY H 4.000 . 5.000 3.372 3.307 3.449 . 0 0 "[ . 1 . 2]" 1
509 1 54 ASN QB 1 55 GLY H 4.000 . 6.500 3.200 2.964 3.816 . 0 0 "[ . 1 . 2]" 1
510 1 54 ASN QB 1 56 GLU H 4.000 . 6.500 2.570 2.354 3.337 . 0 0 "[ . 1 . 2]" 1
511 1 55 GLY H 1 55 GLY QA 2.500 . 2.900 2.253 2.219 2.291 . 0 0 "[ . 1 . 2]" 1
512 1 55 GLY H 1 56 GLU H 3.500 . 4.000 2.566 2.472 2.740 . 0 0 "[ . 1 . 2]" 1
513 1 55 GLY H 1 56 GLU QB 4.000 . 6.500 4.598 4.234 5.154 . 0 0 "[ . 1 . 2]" 1
514 1 55 GLY H 1 57 THR MG 4.000 . 6.500 4.263 3.748 4.540 . 0 0 "[ . 1 . 2]" 1
515 1 55 GLY QA 1 56 GLU H 3.500 . 4.000 2.903 2.851 2.923 . 0 0 "[ . 1 . 2]" 1
516 1 56 GLU H 1 56 GLU QB 3.500 . 4.000 2.376 2.163 2.910 . 0 0 "[ . 1 . 2]" 1
517 1 56 GLU H 1 56 GLU QG 4.000 . 5.000 3.240 1.802 4.046 . 0 0 "[ . 1 . 2]" 1
518 1 56 GLU H 1 57 THR H 4.000 . 6.500 4.086 2.712 4.486 . 0 0 "[ . 1 . 2]" 1
519 1 56 GLU H 1 57 THR MG 4.000 . 6.500 4.013 3.156 4.304 . 0 0 "[ . 1 . 2]" 1
520 1 56 GLU QG 1 58 SER H 4.000 . 6.500 3.383 1.914 5.005 . 0 0 "[ . 1 . 2]" 1
521 1 56 GLU QG 1 59 LEU H 4.000 . 6.500 4.358 2.417 6.356 . 0 0 "[ . 1 . 2]" 1
522 1 57 THR H 1 58 SER H 4.000 . 6.500 2.391 1.965 4.153 . 0 0 "[ . 1 . 2]" 1
523 1 57 THR HA 1 58 SER H 4.000 . 6.500 3.144 2.255 3.354 . 0 0 "[ . 1 . 2]" 1
524 1 57 THR MG 1 58 SER H 4.000 . 6.500 4.138 3.845 4.268 . 0 0 "[ . 1 . 2]" 1
525 1 58 SER H 1 59 LEU H 4.000 . 5.000 2.705 2.371 2.937 . 0 0 "[ . 1 . 2]" 1
526 1 58 SER H 1 59 LEU QB 4.000 . 6.500 4.477 4.067 4.959 . 0 0 "[ . 1 . 2]" 1
527 1 58 SER HA 1 59 LEU H 4.000 . 5.000 3.511 2.993 3.571 . 0 0 "[ . 1 . 2]" 1
528 1 58 SER QB 1 59 LEU H 4.000 . 6.500 2.757 2.077 4.013 . 0 0 "[ . 1 . 2]" 1
529 1 59 LEU H 1 59 LEU QB 3.500 . 4.000 2.224 2.057 2.726 . 0 0 "[ . 1 . 2]" 1
530 1 59 LEU H 1 59 LEU MD1 4.000 . 6.500 3.633 2.384 4.053 . 0 0 "[ . 1 . 2]" 1
531 1 59 LEU H 1 59 LEU HG 4.000 . 6.000 3.822 2.167 4.638 . 0 0 "[ . 1 . 2]" 1
532 1 59 LEU H 1 60 LYS H 4.000 . 6.500 4.591 4.283 4.640 . 0 0 "[ . 1 . 2]" 1
533 1 59 LEU HA 1 59 LEU MD1 3.500 . 3.800 2.405 2.113 3.804 0.004 17 0 "[ . 1 . 2]" 1
534 1 59 LEU HA 1 59 LEU HG 4.000 . 6.000 3.131 2.291 3.622 . 0 0 "[ . 1 . 2]" 1
535 1 59 LEU HA 1 60 LYS H 2.500 . 2.900 2.235 2.168 2.313 . 0 0 "[ . 1 . 2]" 1
536 1 59 LEU QB 1 60 LYS H 4.000 . 5.000 3.015 2.680 3.615 . 0 0 "[ . 1 . 2]" 1
537 1 59 LEU MD1 1 63 ASP H 4.000 . 6.500 5.269 4.235 6.503 0.003 14 0 "[ . 1 . 2]" 1
538 1 59 LEU HG 1 60 LYS H 4.000 . 6.500 4.228 2.375 5.112 . 0 0 "[ . 1 . 2]" 1
539 1 60 LYS H 1 60 LYS QD 4.000 . 6.000 4.172 3.522 4.648 . 0 0 "[ . 1 . 2]" 1
540 1 60 LYS H 1 61 PRO QD 4.000 . 6.500 4.348 4.305 4.398 . 0 0 "[ . 1 . 2]" 1
541 1 60 LYS H 1 63 ASP QB 4.000 . 6.500 2.831 2.004 3.591 . 0 0 "[ . 1 . 2]" 1
542 1 60 LYS H 1 64 PHE QD 4.000 . 6.500 6.459 6.289 6.509 0.009 1 0 "[ . 1 . 2]" 1
543 1 60 LYS QB 1 62 GLU H 4.000 . 6.500 2.451 2.206 2.632 . 0 0 "[ . 1 . 2]" 1
544 1 60 LYS QB 1 63 ASP H 4.000 . 6.500 3.537 3.082 4.041 . 0 0 "[ . 1 . 2]" 1
545 1 60 LYS QD 1 61 PRO QD 4.000 . 6.000 3.955 3.105 4.906 . 0 0 "[ . 1 . 2]" 1
546 1 60 LYS QD 1 62 GLU QB 3.500 . 3.800 3.574 2.316 3.811 0.011 12 0 "[ . 1 . 2]" 1
547 1 60 LYS QD 1 63 ASP H 4.000 . 6.000 5.279 4.077 5.923 . 0 0 "[ . 1 . 2]" 1
548 1 60 LYS QG 1 62 GLU H 4.000 . 6.500 4.135 2.369 4.726 . 0 0 "[ . 1 . 2]" 1
549 1 60 LYS QG 1 63 ASP H 4.000 . 6.500 4.745 2.346 5.620 . 0 0 "[ . 1 . 2]" 1
550 1 61 PRO HA 1 62 GLU H 4.000 . 6.500 3.481 3.431 3.526 . 0 0 "[ . 1 . 2]" 1
551 1 61 PRO HA 1 63 ASP H 4.000 . 6.500 3.514 3.359 3.749 . 0 0 "[ . 1 . 2]" 1
552 1 61 PRO HA 1 64 PHE H 4.000 . 6.500 3.918 3.706 4.396 . 0 0 "[ . 1 . 2]" 1
553 1 61 PRO QB 1 62 GLU H 4.000 . 6.000 3.005 2.765 3.463 . 0 0 "[ . 1 . 2]" 1
554 1 61 PRO QD 1 62 GLU H 4.000 . 6.500 2.854 2.620 2.978 . 0 0 "[ . 1 . 2]" 1
555 1 61 PRO QG 1 62 GLU H 4.000 . 6.000 3.783 2.740 4.073 . 0 0 "[ . 1 . 2]" 1
556 1 61 PRO QG 1 63 ASP H 4.000 . 6.500 4.308 4.023 4.504 . 0 0 "[ . 1 . 2]" 1
557 1 62 GLU H 1 62 GLU QB 3.500 . 4.000 2.339 2.206 2.416 . 0 0 "[ . 1 . 2]" 1
558 1 62 GLU H 1 62 GLU QG 4.000 . 6.500 2.854 2.170 4.067 . 0 0 "[ . 1 . 2]" 1
559 1 62 GLU H 1 63 ASP H 4.000 . 6.500 2.537 2.316 2.673 . 0 0 "[ . 1 . 2]" 1
560 1 62 GLU HA 1 63 ASP H 4.000 . 5.000 3.293 3.203 3.360 . 0 0 "[ . 1 . 2]" 1
561 1 62 GLU HA 1 64 PHE H 4.000 . 6.500 3.901 3.737 3.996 . 0 0 "[ . 1 . 2]" 1
562 1 62 GLU QB 1 63 ASP H 4.000 . 5.000 3.364 3.212 3.798 . 0 0 "[ . 1 . 2]" 1
563 1 63 ASP H 1 63 ASP QB 3.500 . 4.000 2.317 2.250 2.559 . 0 0 "[ . 1 . 2]" 1
564 1 63 ASP H 1 64 PHE H 3.500 . 4.000 2.451 2.270 2.602 . 0 0 "[ . 1 . 2]" 1
565 1 63 ASP H 1 64 PHE QB 4.000 . 6.500 4.573 4.142 4.840 . 0 0 "[ . 1 . 2]" 1
566 1 63 ASP H 1 64 PHE QD 4.000 . 6.500 3.516 3.020 3.849 . 0 0 "[ . 1 . 2]" 1
567 1 63 ASP HA 1 64 PHE H 4.000 . 6.000 3.504 3.462 3.513 . 0 0 "[ . 1 . 2]" 1
568 1 63 ASP QB 1 64 PHE H 4.000 . 6.500 2.867 2.704 3.554 . 0 0 "[ . 1 . 2]" 1
569 1 64 PHE H 1 64 PHE QD 4.000 . 5.000 2.163 1.793 2.406 0.007 11 0 "[ . 1 . 2]" 1
570 1 64 PHE HA 1 65 ASP H 4.000 . 6.500 2.162 2.141 2.242 . 0 0 "[ . 1 . 2]" 1
571 1 65 ASP HA 1 66 PHE H 4.000 . 6.500 2.172 2.147 2.226 . 0 0 "[ . 1 . 2]" 1
572 1 66 PHE H 1 66 PHE QD 4.000 . 6.500 2.248 1.801 2.942 . 0 0 "[ . 1 . 2]" 1
573 1 66 PHE H 1 67 THR H 4.000 . 6.500 3.520 2.091 4.629 . 0 0 "[ . 1 . 2]" 1
574 1 66 PHE HA 1 66 PHE QD 4.000 . 6.000 3.234 2.329 3.697 . 0 0 "[ . 1 . 2]" 1
575 1 66 PHE HA 1 67 THR H 4.000 . 6.000 2.927 2.142 3.520 . 0 0 "[ . 1 . 2]" 1
576 1 66 PHE QD 1 67 THR H 4.000 . 6.500 3.589 2.075 4.592 . 0 0 "[ . 1 . 2]" 1
577 1 67 THR H 1 67 THR HB 4.000 . 6.000 3.224 2.213 4.006 . 0 0 "[ . 1 . 2]" 1
578 1 67 THR H 1 67 THR MG 4.000 . 5.000 3.341 2.233 4.021 . 0 0 "[ . 1 . 2]" 1
579 1 67 THR HA 1 69 LEU H 4.000 . 6.500 5.121 3.587 6.317 . 0 0 "[ . 1 . 2]" 1
580 1 67 THR MG 1 69 LEU H 4.000 . 6.000 4.209 1.801 6.002 0.002 5 0 "[ . 1 . 2]" 1
581 1 68 VAL H 1 68 VAL HB 4.000 . 6.000 3.280 2.431 3.767 . 0 0 "[ . 1 . 2]" 1
582 1 68 VAL H 1 69 LEU H 4.000 . 6.500 3.440 1.796 4.648 0.004 11 0 "[ . 1 . 2]" 1
583 1 68 VAL HA 1 69 LEU H 3.500 . 4.000 2.833 2.144 3.568 . 0 0 "[ . 1 . 2]" 1
584 1 68 VAL HA 1 70 SER H 4.000 . 6.500 5.031 3.251 6.258 . 0 0 "[ . 1 . 2]" 1
585 1 68 VAL HB 1 69 LEU H 4.000 . 5.000 3.403 1.842 4.623 . 0 0 "[ . 1 . 2]" 1
586 1 68 VAL MG1 1 69 LEU H 4.000 . 6.500 3.572 2.062 4.330 . 0 0 "[ . 1 . 2]" 1
587 1 68 VAL MG1 1 70 SER H 4.000 . 6.500 5.535 2.925 6.501 0.001 15 0 "[ . 1 . 2]" 1
588 1 69 LEU H 1 69 LEU MD1 4.000 . 5.000 3.244 1.803 4.179 . 0 0 "[ . 1 . 2]" 1
589 1 69 LEU H 1 69 LEU HG 2.500 . 2.900 2.209 1.801 2.846 . 0 0 "[ . 1 . 2]" 1
590 1 69 LEU HA 1 69 LEU MD1 3.500 . 3.800 3.707 3.431 3.812 0.012 15 0 "[ . 1 . 2]" 1
591 1 69 LEU HA 1 69 LEU HG 4.000 . 6.000 3.180 2.583 3.564 . 0 0 "[ . 1 . 2]" 1
592 1 69 LEU HA 1 70 SER H 3.500 . 4.000 2.818 2.141 3.567 . 0 0 "[ . 1 . 2]" 1
593 1 69 LEU QB 1 70 SER H 4.000 . 6.000 2.953 1.799 3.988 0.001 16 0 "[ . 1 . 2]" 1
594 1 69 LEU MD1 1 70 SER H 4.000 . 6.500 3.964 2.700 5.491 . 0 0 "[ . 1 . 2]" 1
595 1 69 LEU MD1 1 71 LYS H 4.000 . 6.500 5.361 3.878 6.505 0.005 9 0 "[ . 1 . 2]" 1
596 1 69 LEU HG 1 70 SER H 4.000 . 6.000 4.422 3.213 5.163 . 0 0 "[ . 1 . 2]" 1
597 1 70 SER H 1 71 LYS HA 4.000 . 6.500 5.234 4.230 6.355 . 0 0 "[ . 1 . 2]" 1
598 1 71 LYS H 1 71 LYS QG 4.000 . 5.000 3.422 2.230 4.236 . 0 0 "[ . 1 . 2]" 1
599 1 71 LYS HA 1 71 LYS QD 4.000 . 6.000 3.953 2.310 4.263 . 0 0 "[ . 1 . 2]" 1
600 2 2 DG H1 3 9 DC H41 4.000 . 6.000 2.487 2.410 2.643 . 0 0 "[ . 1 . 2]" 1
601 2 2 DG H1 3 9 DC H42 4.000 . 6.000 3.987 3.917 4.141 . 0 0 "[ . 1 . 2]" 1
602 2 2 DG H1 3 9 DC H5 4.000 . 6.000 4.927 4.868 5.042 . 0 0 "[ . 1 . 2]" 1
603 2 3 DA H1' 2 3 DA H2' 4.000 . 6.000 3.014 3.011 3.018 . 0 0 "[ . 1 . 2]" 1
604 2 3 DA H1' 2 3 DA H4' 4.000 . 5.000 3.159 3.111 3.238 . 0 0 "[ . 1 . 2]" 1
605 2 3 DA H2 3 8 DT H1' 4.000 . 6.000 5.108 5.003 5.238 . 0 0 "[ . 1 . 2]" 1
606 2 3 DA H2 3 8 DT H3 4.000 . 5.000 2.768 2.653 2.882 . 0 0 "[ . 1 . 2]" 1
607 2 4 DT H1' 2 4 DT H2' 4.000 . 6.000 3.021 3.017 3.024 . 0 0 "[ . 1 . 2]" 1
608 2 4 DT H1' 2 4 DT H2'' 4.000 . 6.000 2.323 2.312 2.330 . 0 0 "[ . 1 . 2]" 1
609 2 4 DT H2' 2 4 DT H6 4.000 . 5.000 2.223 2.172 2.264 . 0 0 "[ . 1 . 2]" 1
610 2 4 DT H2' 2 5 5CM H6 4.000 . 6.000 3.592 3.326 3.757 . 0 0 "[ . 1 . 2]" 1
611 2 4 DT H2'' 2 4 DT H6 4.000 . 5.000 3.722 3.668 3.762 . 0 0 "[ . 1 . 2]" 1
612 2 4 DT H2'' 2 5 5CM H6 4.000 . 6.000 2.300 2.277 2.324 . 0 0 "[ . 1 . 2]" 1
613 2 4 DT H3 3 7 DA H2 4.000 . 5.000 2.782 2.661 2.965 . 0 0 "[ . 1 . 2]" 1
614 2 4 DT H5'' 2 4 DT H6 4.000 . 6.000 4.820 4.742 4.889 . 0 0 "[ . 1 . 2]" 1
615 2 5 5CM H2' 2 5 5CM H6 4.000 . 6.000 2.289 2.262 2.327 . 0 0 "[ . 1 . 2]" 1
616 2 5 5CM H2'' 2 5 5CM H6 4.000 . 6.000 3.792 3.756 3.837 . 0 0 "[ . 1 . 2]" 1
617 2 5 5CM HN41 2 5 5CM HN42 4.000 . 6.000 1.784 1.774 1.794 0.026 13 0 "[ . 1 . 2]" 1
618 2 5 5CM HN41 3 6 DG H1 4.000 . 6.000 3.876 3.714 4.008 . 0 0 "[ . 1 . 2]" 1
619 2 5 5CM HN42 3 6 DG H1 4.000 . 6.000 2.364 2.137 2.507 . 0 0 "[ . 1 . 2]" 1
620 2 6 DG H1 3 5 5CM HN41 4.000 . 6.000 3.808 3.729 3.959 . 0 0 "[ . 1 . 2]" 1
621 2 6 DG H1 3 5 5CM HN42 4.000 . 6.000 2.250 2.147 2.458 . 0 0 "[ . 1 . 2]" 1
622 2 6 DG H2' 2 6 DG H2'' 4.000 . 6.000 1.797 1.795 1.801 0.005 6 0 "[ . 1 . 2]" 1
623 2 6 DG H2' 2 6 DG H8 4.000 . 6.000 2.364 2.265 2.493 . 0 0 "[ . 1 . 2]" 1
624 2 6 DG H2' 2 7 DG H8 4.000 . 5.000 3.628 3.387 3.807 . 0 0 "[ . 1 . 2]" 1
625 2 6 DG H3' 2 6 DG H8 4.000 . 6.000 4.243 4.169 4.354 . 0 0 "[ . 1 . 2]" 1
626 2 6 DG H3' 2 7 DG H8 4.000 . 6.000 4.991 4.858 5.129 . 0 0 "[ . 1 . 2]" 1
627 2 6 DG H8 2 7 DG H8 4.000 . 6.000 5.118 4.742 5.673 . 0 0 "[ . 1 . 2]" 1
628 2 7 DG H1 3 4 DC H41 4.000 . 6.000 2.541 2.454 2.658 . 0 0 "[ . 1 . 2]" 1
629 2 7 DG H1 3 4 DC H42 4.000 . 6.000 4.068 3.997 4.163 . 0 0 "[ . 1 . 2]" 1
630 2 7 DG H2' 2 8 DC H5 4.000 . 6.000 3.301 3.143 3.515 . 0 0 "[ . 1 . 2]" 1
631 2 7 DG H2'' 2 8 DC H5 4.000 . 6.000 3.350 3.046 3.535 . 0 0 "[ . 1 . 2]" 1
632 2 8 DC H41 2 8 DC H42 4.000 . 6.000 1.784 1.774 1.794 0.026 13 0 "[ . 1 . 2]" 1
633 2 8 DC H41 2 8 DC H5 4.000 . 6.000 3.686 3.679 3.691 . 0 0 "[ . 1 . 2]" 1
634 2 8 DC H41 3 3 DG H1 4.000 . 6.000 2.397 2.234 2.597 . 0 0 "[ . 1 . 2]" 1
635 2 8 DC H42 3 3 DG H1 4.000 . 6.000 3.949 3.792 4.106 . 0 0 "[ . 1 . 2]" 1
636 2 8 DC H5 2 8 DC H6 3.500 . 3.800 2.442 2.430 2.450 . 0 0 "[ . 1 . 2]" 1
637 2 9 DT H1' 2 9 DT H2' 4.000 . 5.000 3.014 3.010 3.020 . 0 0 "[ . 1 . 2]" 1
638 2 9 DT H1' 2 9 DT H2'' 3.500 . 3.800 2.307 2.292 2.320 . 0 0 "[ . 1 . 2]" 1
639 2 9 DT H1' 2 9 DT H4' 4.000 . 5.000 3.126 3.083 3.154 . 0 0 "[ . 1 . 2]" 1
640 2 9 DT H2' 2 9 DT H6 3.500 . 3.800 2.216 2.187 2.252 . 0 0 "[ . 1 . 2]" 1
641 2 9 DT H2'' 2 9 DT H6 4.000 . 5.000 3.723 3.702 3.753 . 0 0 "[ . 1 . 2]" 1
642 2 9 DT H2'' 2 10 DC H6 4.000 . 5.000 2.203 2.139 2.246 . 0 0 "[ . 1 . 2]" 1
643 2 9 DT H3 3 2 DA H2 4.000 . 6.000 2.793 2.717 2.899 . 0 0 "[ . 1 . 2]" 1
644 2 10 DC H1' 2 10 DC H2'' 2.500 . 2.700 2.328 2.315 2.337 . 0 0 "[ . 1 . 2]" 1
645 2 10 DC H1' 2 10 DC H4' 4.000 . 5.000 3.110 3.078 3.148 . 0 0 "[ . 1 . 2]" 1
646 2 10 DC H1' 2 10 DC H6 4.000 . 6.000 3.736 3.729 3.746 . 0 0 "[ . 1 . 2]" 1
647 2 10 DC H2'' 2 10 DC H6 4.000 . 5.000 3.695 3.649 3.733 . 0 0 "[ . 1 . 2]" 1
648 2 10 DC H4' 2 10 DC H6 4.000 . 5.000 4.654 4.600 4.710 . 0 0 "[ . 1 . 2]" 1
649 2 10 DC H5 2 10 DC H6 2.500 . 2.700 2.435 2.417 2.448 . 0 0 "[ . 1 . 2]" 1
650 3 2 DA H1' 3 2 DA H2' 4.000 . 6.000 3.013 3.010 3.017 . 0 0 "[ . 1 . 2]" 1
651 3 2 DA H1' 3 2 DA H2'' 4.000 . 6.000 2.319 2.311 2.323 . 0 0 "[ . 1 . 2]" 1
652 3 2 DA H1' 3 2 DA H8 4.000 . 6.000 3.911 3.909 3.914 . 0 0 "[ . 1 . 2]" 1
653 3 2 DA H2' 3 2 DA H8 3.500 . 3.800 2.337 2.323 2.360 . 0 0 "[ . 1 . 2]" 1
654 3 2 DA H2'' 3 2 DA H8 4.000 . 5.000 3.841 3.822 3.859 . 0 0 "[ . 1 . 2]" 1
655 3 2 DA H3' 3 2 DA H8 4.000 . 5.000 4.167 4.139 4.192 . 0 0 "[ . 1 . 2]" 1
656 3 4 DC H41 3 4 DC H42 4.000 . 6.000 1.784 1.772 1.793 0.028 13 0 "[ . 1 . 2]" 1
657 3 4 DC H42 3 4 DC H5 4.000 . 6.000 2.400 2.394 2.409 . 0 0 "[ . 1 . 2]" 1
658 3 5 5CM H2' 3 5 5CM H6 4.000 . 6.000 2.303 2.261 2.400 . 0 0 "[ . 1 . 2]" 1
659 3 5 5CM HN41 3 5 5CM HN42 4.000 . 6.000 1.784 1.774 1.793 0.026 13 0 "[ . 1 . 2]" 1
660 3 6 DG H1 3 7 DA H2 4.000 . 6.000 3.809 3.532 4.097 . 0 0 "[ . 1 . 2]" 1
661 3 6 DG H2' 3 7 DA H8 4.000 . 6.000 3.285 3.142 3.445 . 0 0 "[ . 1 . 2]" 1
662 3 6 DG H2'' 3 7 DA H8 4.000 . 6.000 2.292 2.263 2.322 . 0 0 "[ . 1 . 2]" 1
663 3 7 DA H1' 3 7 DA H2 4.000 . 6.000 4.456 4.445 4.467 . 0 0 "[ . 1 . 2]" 1
664 3 7 DA H1' 3 7 DA H2' 4.000 . 6.000 3.013 3.009 3.016 . 0 0 "[ . 1 . 2]" 1
665 3 7 DA H1' 3 7 DA H2'' 4.000 . 5.000 2.317 2.304 2.324 . 0 0 "[ . 1 . 2]" 1
666 3 7 DA H1' 3 7 DA H4' 4.000 . 5.000 3.147 3.114 3.215 . 0 0 "[ . 1 . 2]" 1
667 3 7 DA H1' 3 7 DA H8 4.000 . 6.000 3.912 3.908 3.916 . 0 0 "[ . 1 . 2]" 1
668 3 7 DA H1' 3 8 DT H6 4.000 . 6.000 3.553 3.482 3.671 . 0 0 "[ . 1 . 2]" 1
669 3 7 DA H2' 3 7 DA H8 4.000 . 5.000 2.353 2.316 2.416 . 0 0 "[ . 1 . 2]" 1
670 3 7 DA H2'' 3 7 DA H8 4.000 . 6.000 3.846 3.808 3.905 . 0 0 "[ . 1 . 2]" 1
671 3 7 DA H3' 3 7 DA H8 4.000 . 6.000 4.193 4.169 4.215 . 0 0 "[ . 1 . 2]" 1
672 3 7 DA H5' 3 7 DA H8 4.000 . 6.000 4.388 4.327 4.438 . 0 0 "[ . 1 . 2]" 1
673 3 7 DA H5'' 3 7 DA H8 4.000 . 6.000 5.057 4.983 5.137 . 0 0 "[ . 1 . 2]" 1
674 3 7 DA H8 3 8 DT H6 4.000 . 6.000 4.815 4.676 4.969 . 0 0 "[ . 1 . 2]" 1
675 3 8 DT H1' 3 8 DT H2'' 4.000 . 6.000 2.322 2.310 2.332 . 0 0 "[ . 1 . 2]" 1
676 3 8 DT H1' 3 8 DT H6 4.000 . 5.000 3.736 3.728 3.748 . 0 0 "[ . 1 . 2]" 1
677 3 8 DT H1' 3 9 DC H6 4.000 . 6.000 3.796 3.687 3.862 . 0 0 "[ . 1 . 2]" 1
678 3 8 DT H2' 3 8 DT H2'' 3.500 . 3.800 1.794 1.792 1.796 0.008 7 0 "[ . 1 . 2]" 1
679 3 8 DT H2' 3 9 DC H6 3.500 . 3.800 3.072 2.993 3.155 . 0 0 "[ . 1 . 2]" 1
680 3 8 DT H2'' 3 8 DT H6 4.000 . 5.000 3.730 3.688 3.769 . 0 0 "[ . 1 . 2]" 1
681 3 8 DT H2'' 3 9 DC H6 4.000 . 6.000 2.210 2.177 2.238 . 0 0 "[ . 1 . 2]" 1
682 3 8 DT H6 3 9 DC H42 4.000 . 6.000 4.563 4.409 4.693 . 0 0 "[ . 1 . 2]" 1
683 3 9 DC H2' 3 9 DC H6 3.500 . 3.800 2.189 2.148 2.232 . 0 0 "[ . 1 . 2]" 1
684 3 9 DC H41 3 9 DC H42 4.000 . 5.000 1.784 1.772 1.793 0.028 13 0 "[ . 1 . 2]" 1
685 3 9 DC H41 3 9 DC H5 4.000 . 5.000 3.684 3.675 3.690 . 0 0 "[ . 1 . 2]" 1
686 3 9 DC H42 3 9 DC H5 4.000 . 6.000 2.398 2.392 2.403 . 0 0 "[ . 1 . 2]" 1
687 3 9 DC H5 3 9 DC H6 2.500 . 2.700 2.434 2.420 2.448 . 0 0 "[ . 1 . 2]" 1
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