NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472754 |
1e91   |
5457 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1e91
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 1984
_Distance_constraint_stats_list.Viol_count 2994
_Distance_constraint_stats_list.Viol_total 5652.747
_Distance_constraint_stats_list.Viol_max 0.961
_Distance_constraint_stats_list.Viol_rms 0.0434
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0944
_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 4 SER 16.079 0.681 4 7 "[ *+.*- 1 * .* *2]"
1 5 VAL 5.921 0.615 16 2 "[ . - 1 .+ 2]"
1 6 GLU 7.174 0.592 10 2 "[ . + . - 2]"
1 7 PHE 6.831 0.626 4 1 "[ +. 1 . 2]"
1 8 ASN 3.070 0.214 20 0 "[ . 1 . 2]"
1 9 ASN 8.882 0.592 10 2 "[ . + . - 2]"
1 10 ALA 1.180 0.143 19 0 "[ . 1 . 2]"
1 11 ILE 5.268 0.103 12 0 "[ . 1 . 2]"
1 12 SER 0.595 0.068 10 0 "[ . 1 . 2]"
1 13 TYR 3.396 0.250 10 0 "[ . 1 . 2]"
1 14 VAL 3.975 0.188 2 0 "[ . 1 . 2]"
1 15 ASN 15.479 0.608 12 8 "[ * * * 1*+ - **]"
1 16 LYS 15.429 0.788 16 9 "[ * * * 1** -+ **]"
1 17 ILE 1.775 0.067 11 0 "[ . 1 . 2]"
1 18 LYS 10.900 0.503 5 2 "[ + 1 . -]"
1 19 THR 4.278 0.264 4 0 "[ . 1 . 2]"
1 20 ARG 4.308 0.307 16 0 "[ . 1 . 2]"
1 21 PHE 8.149 0.155 1 0 "[ . 1 . 2]"
1 22 LEU 2.198 0.112 5 0 "[ . 1 . 2]"
1 23 ASP 3.198 0.095 15 0 "[ . 1 . 2]"
1 24 HIS 10.482 0.409 19 0 "[ . 1 . 2]"
1 25 PRO 3.392 0.144 10 0 "[ . 1 . 2]"
1 26 GLU 0.199 0.082 12 0 "[ . 1 . 2]"
1 27 ILE 5.774 0.180 15 0 "[ . 1 . 2]"
1 28 TYR 9.660 0.891 6 3 "[ .+ *1 . - 2]"
1 29 ARG 10.513 0.891 6 3 "[ .+ -1 . * 2]"
1 30 SER 3.689 0.203 9 0 "[ . 1 . 2]"
1 31 PHE 3.389 0.150 13 0 "[ . 1 . 2]"
1 32 LEU 2.865 0.089 17 0 "[ . 1 . 2]"
1 33 GLU 2.161 0.146 5 0 "[ . 1 . 2]"
1 34 ILE 5.521 0.201 8 0 "[ . 1 . 2]"
1 35 LEU 2.567 0.276 12 0 "[ . 1 . 2]"
1 36 HIS 4.146 0.245 17 0 "[ . 1 . 2]"
1 37 THR 2.132 0.161 8 0 "[ . 1 . 2]"
1 38 TYR 6.389 0.472 18 0 "[ . 1 . 2]"
1 39 GLN 14.327 0.718 17 3 "[ . * 1 -. + 2]"
1 40 LYS 3.706 0.759 7 3 "[ . +- 1 . *2]"
1 41 GLU 2.496 0.759 7 3 "[ . +- 1 . *2]"
1 42 GLN 3.051 0.179 10 0 "[ . 1 . 2]"
1 43 LEU 4.665 0.959 16 1 "[ . 1 .+ 2]"
1 44 HIS 2.808 0.959 16 1 "[ . 1 .+ 2]"
1 45 THR 2.837 0.294 2 0 "[ . 1 . 2]"
1 46 LYS 1.994 0.222 6 0 "[ . 1 . 2]"
1 47 GLY 0.977 0.267 1 0 "[ . 1 . 2]"
1 48 ARG 4.990 0.475 14 0 "[ . 1 . 2]"
1 49 PRO 2.701 0.250 9 0 "[ . 1 . 2]"
1 50 PHE 2.516 0.250 9 0 "[ . 1 . 2]"
1 51 ARG 22.359 0.809 5 6 "[** + * -1 . * 2]"
1 52 GLY 13.728 0.868 15 6 "[ *. * 1 +* *-]"
1 53 MET 14.298 0.868 15 6 "[ *. * 1 +* *-]"
1 54 SER 7.237 0.526 19 1 "[ . 1 . +2]"
1 55 GLU 4.637 0.848 10 1 "[ . + . 2]"
1 56 GLU 1.848 0.526 19 1 "[ . 1 . +2]"
1 57 GLU 7.885 0.377 13 0 "[ . 1 . 2]"
1 58 VAL 0.541 0.051 1 0 "[ . 1 . 2]"
1 59 PHE 0.663 0.103 9 0 "[ . 1 . 2]"
1 60 THR 2.733 0.113 8 0 "[ . 1 . 2]"
1 61 GLU 4.249 0.191 19 0 "[ . 1 . 2]"
1 62 VAL 1.181 0.092 16 0 "[ . 1 . 2]"
1 63 ALA 0.823 0.050 19 0 "[ . 1 . 2]"
1 64 ASN 14.049 0.857 19 3 "[ * . 1 - . +2]"
1 65 LEU 8.159 0.823 19 3 "[ * . 1 - . +2]"
1 66 PHE 4.168 0.150 6 0 "[ . 1 . 2]"
1 67 ARG 1.256 0.077 7 0 "[ . 1 . 2]"
1 68 GLY 0.010 0.006 7 0 "[ . 1 . 2]"
1 69 GLN 4.440 0.468 15 0 "[ . 1 . 2]"
1 70 GLU 6.832 0.629 5 2 "[ + 1- . 2]"
1 71 ASP 11.081 0.377 13 0 "[ . 1 . 2]"
1 72 LEU 4.722 0.301 2 0 "[ . 1 . 2]"
1 73 LEU 16.769 0.492 20 0 "[ . 1 . 2]"
1 74 SER 5.969 0.492 20 0 "[ . 1 . 2]"
1 75 GLU 10.700 0.961 14 4 "[ * *1 +. - 2]"
1 76 PHE 1.715 0.071 5 0 "[ . 1 . 2]"
1 77 GLY 1.327 0.150 13 0 "[ . 1 . 2]"
1 78 GLN 0.538 0.190 11 0 "[ . 1 . 2]"
1 79 PHE 0.761 0.050 11 0 "[ . 1 . 2]"
1 80 LEU 3.018 0.848 10 1 "[ . + . 2]"
1 81 PRO 3.089 0.442 11 0 "[ . 1 . 2]"
1 82 GLU 0.888 0.123 7 0 "[ . 1 . 2]"
2 1 ASN 1.196 0.282 8 0 "[ . 1 . 2]"
2 2 ILE 2.322 0.282 8 0 "[ . 1 . 2]"
2 3 GLN 2.584 0.287 10 0 "[ . 1 . 2]"
2 4 MET 1.717 0.287 10 0 "[ . 1 . 2]"
2 5 LEU 5.944 0.277 2 0 "[ . 1 . 2]"
2 6 LEU 2.458 0.462 17 0 "[ . 1 . 2]"
2 7 GLU 1.372 0.137 11 0 "[ . 1 . 2]"
2 8 ALA 0.937 0.083 10 0 "[ . 1 . 2]"
2 9 ALA 0.244 0.128 15 0 "[ . 1 . 2]"
2 10 ASP 0.173 0.050 14 0 "[ . 1 . 2]"
2 11 TYR 1.808 0.128 19 0 "[ . 1 . 2]"
2 12 LEU 2.383 0.151 17 0 "[ . 1 . 2]"
2 13 GLU 0.397 0.108 10 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 22 LEU H 1 23 ASP H 2.600 . 3.400 2.739 2.684 2.829 . 0 0 "[ . 1 . 2]" 1
2 1 5 VAL H 1 6 GLU H 2.700 . 3.600 2.653 2.574 2.710 . 0 0 "[ . 1 . 2]" 1
3 1 7 PHE H 1 8 ASN H 2.700 . 3.600 2.860 2.725 2.929 . 0 0 "[ . 1 . 2]" 1
4 1 28 TYR H 1 29 ARG H 2.600 . 3.400 2.797 2.738 2.876 . 0 0 "[ . 1 . 2]" 1
5 1 30 SER H 1 31 PHE H 2.800 . 3.800 2.917 2.820 3.043 . 0 0 "[ . 1 . 2]" 1
6 1 9 ASN H 1 10 ALA H 2.400 . 3.100 2.677 2.609 2.727 . 0 0 "[ . 1 . 2]" 1
7 1 12 SER H 1 13 TYR H 3.000 . 3.500 2.772 2.709 2.856 . 0 0 "[ . 1 . 2]" 1
8 1 31 PHE H 1 32 LEU H 2.800 . 3.800 2.864 2.784 2.933 . 0 0 "[ . 1 . 2]" 1
9 1 57 GLU H 1 58 VAL H 2.800 . 3.800 2.637 2.504 2.735 . 0 0 "[ . 1 . 2]" 1
10 1 20 ARG H 1 21 PHE H 2.600 . 3.400 2.778 2.630 2.861 . 0 0 "[ . 1 . 2]" 1
11 1 15 ASN H 1 16 LYS H 2.600 . 3.400 2.771 2.639 2.880 . 0 0 "[ . 1 . 2]" 1
12 1 56 GLU H 1 57 GLU H 2.700 . 3.600 2.862 2.775 2.925 . 0 0 "[ . 1 . 2]" 1
13 1 23 ASP H 1 24 HIS H 2.300 . 3.000 2.460 2.320 2.525 . 0 0 "[ . 1 . 2]" 1
14 1 16 LYS H 1 17 ILE H 2.700 . 3.600 2.710 2.551 2.801 . 0 0 "[ . 1 . 2]" 1
15 1 17 ILE H 1 18 LYS H 2.800 . 3.800 2.641 2.562 2.730 . 0 0 "[ . 1 . 2]" 1
16 1 55 GLU H 1 56 GLU H 2.900 . 4.000 2.574 1.790 2.730 0.010 19 0 "[ . 1 . 2]" 1
17 1 53 MET H 1 54 SER H 3.800 . 5.600 4.364 4.006 4.617 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER H 1 5 VAL H 3.200 . 4.500 4.558 4.455 4.581 0.081 1 0 "[ . 1 . 2]" 1
19 1 18 LYS H 1 19 THR H 2.900 . 3.900 2.717 2.649 2.781 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER H 1 4 SER HA 2.400 . 3.100 2.787 2.731 2.941 . 0 0 "[ . 1 . 2]" 1
21 1 8 ASN H 1 8 ASN HA 2.600 . 3.500 2.824 2.805 2.834 . 0 0 "[ . 1 . 2]" 1
22 1 9 ASN H 1 9 ASN HA 2.600 . 3.400 2.785 2.772 2.799 . 0 0 "[ . 1 . 2]" 1
23 1 10 ALA H 1 10 ALA HA 2.600 . 3.500 2.849 2.825 2.856 . 0 0 "[ . 1 . 2]" 1
24 1 11 ILE H 1 11 ILE HA 2.800 . 3.800 2.767 2.752 2.807 . 0 0 "[ . 1 . 2]" 1
25 1 12 SER H 1 12 SER HA 2.500 . 3.300 2.777 2.745 2.790 . 0 0 "[ . 1 . 2]" 1
26 1 13 TYR H 1 13 TYR HA 2.600 . 3.500 2.822 2.798 2.840 . 0 0 "[ . 1 . 2]" 1
27 1 14 VAL H 1 14 VAL HA 2.500 . 3.300 2.804 2.786 2.842 . 0 0 "[ . 1 . 2]" 1
28 1 17 ILE H 1 17 ILE HA 2.900 . 3.900 2.812 2.803 2.827 . 0 0 "[ . 1 . 2]" 1
29 1 19 THR H 1 19 THR HA 2.600 . 3.400 2.814 2.786 2.862 . 0 0 "[ . 1 . 2]" 1
30 1 20 ARG H 1 20 ARG HA 2.500 . 3.300 2.825 2.810 2.843 . 0 0 "[ . 1 . 2]" 1
31 1 21 PHE H 1 21 PHE HA 2.800 . 3.800 2.910 2.902 2.919 . 0 0 "[ . 1 . 2]" 1
32 1 22 LEU H 1 22 LEU HA 2.400 . 3.100 2.781 2.767 2.805 . 0 0 "[ . 1 . 2]" 1
33 1 23 ASP H 1 23 ASP HA 2.600 . 3.400 2.862 2.856 2.880 . 0 0 "[ . 1 . 2]" 1
34 1 26 GLU H 1 26 GLU HA 2.600 . 3.400 2.756 2.739 2.771 . 0 0 "[ . 1 . 2]" 1
35 1 27 ILE H 1 27 ILE HA 3.000 . 4.100 2.822 2.818 2.825 . 0 0 "[ . 1 . 2]" 1
36 1 30 SER H 1 30 SER HA 2.200 . 2.800 2.758 2.715 2.771 . 0 0 "[ . 1 . 2]" 1
37 1 33 GLU H 1 33 GLU HA 2.400 . 3.100 2.821 2.775 2.838 . 0 0 "[ . 1 . 2]" 1
38 1 35 LEU H 1 35 LEU HA 2.800 . 3.800 2.817 2.795 2.837 . 0 0 "[ . 1 . 2]" 1
39 1 36 HIS H 1 36 HIS HA 2.700 . 3.600 2.797 2.769 2.811 . 0 0 "[ . 1 . 2]" 1
40 1 37 THR H 1 37 THR HA 2.600 . 3.400 2.795 2.738 2.819 . 0 0 "[ . 1 . 2]" 1
41 1 39 GLN H 1 39 GLN HA 2.700 . 3.600 2.795 2.746 2.857 . 0 0 "[ . 1 . 2]" 1
42 1 41 GLU H 1 41 GLU HA 2.600 . 3.400 2.849 2.806 2.892 . 0 0 "[ . 1 . 2]" 1
43 1 42 GLN H 1 42 GLN HA 2.600 . 3.400 2.836 2.752 2.941 . 0 0 "[ . 1 . 2]" 1
44 1 43 LEU H 1 43 LEU HA 2.500 . 3.300 2.815 2.751 2.887 . 0 0 "[ . 1 . 2]" 1
45 1 50 PHE H 1 50 PHE HA 2.700 . 3.600 2.624 2.269 2.947 . 0 0 "[ . 1 . 2]" 1
46 1 48 ARG H 1 48 ARG HA 2.700 . 3.600 2.815 2.749 2.901 . 0 0 "[ . 1 . 2]" 1
47 1 52 GLY H 1 52 GLY HA3 2.600 . 3.400 2.624 2.287 2.895 . 0 0 "[ . 1 . 2]" 1
48 1 52 GLY H 1 52 GLY HA2 2.500 . 3.300 2.608 2.288 2.903 . 0 0 "[ . 1 . 2]" 1
49 1 53 MET H 1 53 MET HA 2.800 . 3.800 2.867 2.771 2.932 . 0 0 "[ . 1 . 2]" 1
50 1 54 SER H 1 54 SER HA 3.000 . 4.100 2.865 2.800 2.917 . 0 0 "[ . 1 . 2]" 1
51 1 59 PHE H 1 59 PHE HA 2.700 . 3.600 2.809 2.798 2.825 . 0 0 "[ . 1 . 2]" 1
52 1 64 ASN H 1 64 ASN HA 2.500 . 3.300 2.806 2.794 2.819 . 0 0 "[ . 1 . 2]" 1
53 1 66 PHE H 1 66 PHE HA 2.900 . 4.000 2.853 2.837 2.861 . 0 0 "[ . 1 . 2]" 1
54 1 67 ARG H 1 67 ARG HA 2.400 . 3.100 2.803 2.787 2.829 . 0 0 "[ . 1 . 2]" 1
55 1 68 GLY H 1 68 GLY HA2 2.600 . 3.400 2.898 2.882 2.922 . 0 0 "[ . 1 . 2]" 1
56 1 68 GLY H 1 68 GLY HA3 2.400 . 3.100 2.332 2.317 2.358 . 0 0 "[ . 1 . 2]" 1
57 1 70 GLU H 1 70 GLU HA 2.300 . 3.000 2.769 2.245 2.824 . 0 0 "[ . 1 . 2]" 1
58 1 71 ASP H 1 71 ASP HA 2.500 . 3.300 2.810 2.803 2.838 . 0 0 "[ . 1 . 2]" 1
59 1 72 LEU H 1 72 LEU HA 2.700 . 3.600 2.853 2.836 2.864 . 0 0 "[ . 1 . 2]" 1
60 1 76 PHE H 1 76 PHE HA 2.500 . 3.300 2.790 2.783 2.800 . 0 0 "[ . 1 . 2]" 1
61 1 82 GLU H 1 82 GLU HA 2.800 . 3.800 2.740 2.269 2.916 . 0 0 "[ . 1 . 2]" 1
62 1 13 TYR H 1 14 VAL H 2.600 . 3.500 2.738 2.668 2.798 . 0 0 "[ . 1 . 2]" 1
63 1 14 VAL H 1 16 LYS H 3.700 . 5.400 4.415 4.139 4.626 . 0 0 "[ . 1 . 2]" 1
64 1 15 ASN H 1 17 ILE H 5.800 . 6.000 4.038 3.973 4.128 . 0 0 "[ . 1 . 2]" 1
65 1 22 LEU H 1 24 HIS H 3.000 . 4.200 4.109 3.778 4.225 0.025 14 0 "[ . 1 . 2]" 1
66 1 20 ARG H 1 22 LEU H 3.900 . 5.800 4.355 4.249 4.543 . 0 0 "[ . 1 . 2]" 1
67 1 26 GLU H 1 27 ILE H 2.600 . 3.400 2.788 2.752 2.831 . 0 0 "[ . 1 . 2]" 1
68 1 26 GLU H 1 28 TYR H 4.400 . 6.000 4.514 4.334 4.665 . 0 0 "[ . 1 . 2]" 1
69 1 27 ILE H 1 28 TYR H 2.600 . 3.400 2.687 2.608 2.750 . 0 0 "[ . 1 . 2]" 1
70 1 28 TYR H 1 30 SER H 4.400 . 6.000 4.449 4.329 4.587 . 0 0 "[ . 1 . 2]" 1
71 1 32 LEU H 1 33 GLU H 2.700 . 3.600 2.701 2.605 2.791 . 0 0 "[ . 1 . 2]" 1
72 1 30 SER H 1 32 LEU H 5.800 . 6.000 4.402 4.324 4.459 . 0 0 "[ . 1 . 2]" 1
73 1 33 GLU H 1 35 LEU H 5.000 . 6.000 4.571 4.476 4.717 . 0 0 "[ . 1 . 2]" 1
74 1 34 ILE H 1 35 LEU H 2.700 . 3.600 2.791 2.719 2.846 . 0 0 "[ . 1 . 2]" 1
75 1 34 ILE H 1 36 HIS H 4.300 . 6.000 3.796 3.704 3.985 . 0 0 "[ . 1 . 2]" 1
76 1 35 LEU H 1 37 THR H 4.600 . 6.000 4.169 3.954 4.298 . 0 0 "[ . 1 . 2]" 1
77 1 35 LEU H 1 36 HIS H 2.700 . 3.600 2.579 2.515 2.647 . 0 0 "[ . 1 . 2]" 1
78 1 36 HIS H 1 37 THR H 2.900 . 4.000 2.706 2.622 2.771 . 0 0 "[ . 1 . 2]" 1
79 1 37 THR H 1 38 TYR H 2.700 . 3.600 2.664 2.588 2.813 . 0 0 "[ . 1 . 2]" 1
80 1 39 GLN H 1 40 LYS H 3.200 . 4.400 2.749 2.497 2.873 . 0 0 "[ . 1 . 2]" 1
81 1 40 LYS H 1 41 GLU H 2.700 . 3.600 2.897 2.759 3.109 . 0 0 "[ . 1 . 2]" 1
82 1 39 GLN H 1 41 GLU H 5.600 . 6.000 4.544 4.255 5.237 . 0 0 "[ . 1 . 2]" 1
83 1 41 GLU H 1 42 GLN H 2.800 . 3.800 2.850 2.476 3.441 . 0 0 "[ . 1 . 2]" 1
84 1 42 GLN H 1 43 LEU H 3.000 . 4.100 2.595 1.861 4.084 0.039 19 0 "[ . 1 . 2]" 1
85 1 43 LEU H 1 44 HIS H 3.900 . 5.800 3.502 2.690 4.610 . 0 0 "[ . 1 . 2]" 1
86 1 47 GLY H 1 48 ARG H 3.100 . 4.300 3.866 1.915 4.536 0.236 7 0 "[ . 1 . 2]" 1
87 1 52 GLY H 1 53 MET H 3.300 . 4.700 3.677 1.866 4.554 0.034 8 0 "[ . 1 . 2]" 1
88 1 58 VAL H 1 59 PHE H 2.600 . 3.400 2.815 2.719 2.909 . 0 0 "[ . 1 . 2]" 1
89 1 61 GLU H 1 62 VAL H 2.700 . 3.600 2.810 2.774 2.855 . 0 0 "[ . 1 . 2]" 1
90 1 62 VAL H 1 63 ALA H 2.600 . 3.400 2.635 2.586 2.701 . 0 0 "[ . 1 . 2]" 1
91 1 62 VAL H 1 64 ASN H 4.200 . 6.000 4.081 4.012 4.226 . 0 0 "[ . 1 . 2]" 1
92 1 63 ALA H 1 64 ASN H 2.600 . 3.500 2.655 2.620 2.743 . 0 0 "[ . 1 . 2]" 1
93 1 65 LEU H 1 66 PHE H 2.600 . 3.400 2.819 2.717 2.896 . 0 0 "[ . 1 . 2]" 1
94 1 63 ALA H 1 65 LEU H 6.000 . 6.000 4.108 4.057 4.185 . 0 0 "[ . 1 . 2]" 1
95 1 64 ASN H 1 66 PHE H 3.700 . 5.400 4.583 4.466 4.698 . 0 0 "[ . 1 . 2]" 1
96 1 66 PHE H 1 67 ARG H 2.700 . 3.600 3.310 3.255 3.368 . 0 0 "[ . 1 . 2]" 1
97 1 67 ARG H 1 68 GLY H 3.300 . 4.600 4.571 4.478 4.602 0.002 7 0 "[ . 1 . 2]" 1
98 1 67 ARG H 1 69 GLN H 5.000 . 6.000 4.310 4.105 4.537 . 0 0 "[ . 1 . 2]" 1
99 1 68 GLY H 1 69 GLN H 2.500 . 3.300 3.230 3.041 3.306 0.006 7 0 "[ . 1 . 2]" 1
100 1 68 GLY H 1 70 GLU H 5.300 . 6.000 4.138 3.874 4.504 . 0 0 "[ . 1 . 2]" 1
101 1 70 GLU H 1 71 ASP H 2.600 . 3.400 2.824 2.723 3.095 . 0 0 "[ . 1 . 2]" 1
102 1 71 ASP H 1 72 LEU H 2.400 . 3.100 2.707 2.592 2.806 . 0 0 "[ . 1 . 2]" 1
103 1 72 LEU H 1 74 SER H 4.200 . 6.000 4.123 3.972 4.251 . 0 0 "[ . 1 . 2]" 1
104 1 73 LEU H 1 74 SER H 2.500 . 3.300 2.726 2.599 2.811 . 0 0 "[ . 1 . 2]" 1
105 1 72 LEU H 1 73 LEU H . . 2.800 2.462 2.409 2.532 . 0 0 "[ . 1 . 2]" 1
106 1 74 SER H 1 75 GLU H 2.700 . 3.600 2.747 2.689 2.780 . 0 0 "[ . 1 . 2]" 1
107 1 75 GLU H 1 76 PHE H 2.400 . 3.100 2.615 2.506 2.777 . 0 0 "[ . 1 . 2]" 1
108 1 74 SER H 1 76 PHE H 3.800 . 5.600 4.247 4.086 4.462 . 0 0 "[ . 1 . 2]" 1
109 1 78 GLN H 1 79 PHE H 2.600 . 3.400 2.875 2.778 3.075 . 0 0 "[ . 1 . 2]" 1
110 1 79 PHE H 1 80 LEU H 2.400 . 3.100 2.628 2.447 2.762 . 0 0 "[ . 1 . 2]" 1
111 1 5 VAL HA 1 8 ASN H 3.400 . 4.900 3.667 3.281 3.781 . 0 0 "[ . 1 . 2]" 1
112 1 4 SER QB 1 5 VAL H 2.800 . 3.700 2.979 2.661 3.365 . 0 0 "[ . 1 . 2]" 1
113 1 5 VAL H 1 5 VAL HB 2.300 . 2.900 2.480 2.427 2.545 . 0 0 "[ . 1 . 2]" 1
114 1 5 VAL H 1 5 VAL MG2 2.300 . 2.900 2.213 2.091 2.362 . 0 0 "[ . 1 . 2]" 1
115 1 4 SER H 1 4 SER HB2 2.200 . 2.800 2.972 2.593 3.481 0.681 4 5 "[ -+.* 1 * . *2]" 1
116 1 4 SER H 1 7 PHE HB2 4.100 . 6.000 3.784 3.201 4.154 . 0 0 "[ . 1 . 2]" 1
117 1 4 SER H 1 7 PHE HB3 3.500 . 5.000 3.682 2.964 3.962 . 0 0 "[ . 1 . 2]" 1
118 1 4 SER H 1 5 VAL MG2 4.200 . 6.000 5.755 5.577 5.926 . 0 0 "[ . 1 . 2]" 1
119 1 6 GLU HA 1 7 PHE H 3.000 . 4.100 3.527 3.497 3.544 . 0 0 "[ . 1 . 2]" 1
120 1 4 SER QB 1 7 PHE H 3.700 . 5.400 2.655 2.211 3.180 . 0 0 "[ . 1 . 2]" 1
121 1 7 PHE H 1 7 PHE HB2 2.500 . 3.300 2.542 2.490 2.603 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE H 1 7 PHE HB3 2.400 . 3.100 2.529 2.465 2.580 . 0 0 "[ . 1 . 2]" 1
123 1 6 GLU QG 1 7 PHE H 3.700 . 5.400 4.017 3.943 4.058 . 0 0 "[ . 1 . 2]" 1
124 1 6 GLU HB2 1 7 PHE H 2.600 . 3.400 2.698 2.611 2.769 . 0 0 "[ . 1 . 2]" 1
125 1 7 PHE HB2 1 8 ASN H 3.000 . 4.100 3.708 3.616 3.760 . 0 0 "[ . 1 . 2]" 1
126 1 8 ASN H 1 8 ASN QB 2.700 . 3.000 2.222 2.057 2.495 . 0 0 "[ . 1 . 2]" 1
127 1 6 GLU HA 1 9 ASN H 3.000 . 4.100 3.462 3.344 3.919 . 0 0 "[ . 1 . 2]" 1
128 1 8 ASN HA 1 12 SER H 3.800 . 5.600 4.132 3.867 4.381 . 0 0 "[ . 1 . 2]" 1
129 1 9 ASN HA 1 12 SER H 3.000 . 4.100 3.865 3.464 4.078 . 0 0 "[ . 1 . 2]" 1
130 1 10 ALA HA 1 11 ILE H 3.000 . 4.100 3.542 3.511 3.557 . 0 0 "[ . 1 . 2]" 1
131 1 10 ALA HA 1 14 VAL H 3.300 . 4.700 4.524 4.315 4.722 0.022 5 0 "[ . 1 . 2]" 1
132 1 13 TYR HA 1 14 VAL H 3.300 . 4.700 3.552 3.540 3.567 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE HA 1 12 SER H 3.100 . 4.300 3.539 3.517 3.556 . 0 0 "[ . 1 . 2]" 1
134 1 10 ALA MB 1 11 ILE H 2.600 . 3.400 2.643 2.530 2.750 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE H 1 12 SER H 2.500 . 3.300 2.812 2.689 2.923 . 0 0 "[ . 1 . 2]" 1
136 1 12 SER H 1 14 VAL H 4.300 . 6.000 4.544 4.433 4.631 . 0 0 "[ . 1 . 2]" 1
137 1 13 TYR H 1 15 ASN H 4.500 . 6.000 3.981 3.827 4.163 . 0 0 "[ . 1 . 2]" 1
138 1 77 GLY H 1 77 GLY HA2 2.200 . 2.800 2.289 2.283 2.293 . 0 0 "[ . 1 . 2]" 1
139 1 77 GLY H 1 77 GLY HA3 2.300 . 3.000 2.804 2.774 2.830 . 0 0 "[ . 1 . 2]" 1
140 1 24 HIS H 1 24 HIS HA 2.700 . 3.600 2.927 2.920 2.936 . 0 0 "[ . 1 . 2]" 1
141 1 61 GLU H 1 61 GLU HA 2.600 . 3.400 2.774 2.760 2.781 . 0 0 "[ . 1 . 2]" 1
142 1 9 ASN HB2 1 10 ALA H 2.800 . 3.800 3.697 3.463 3.900 0.100 3 0 "[ . 1 . 2]" 1
143 1 7 PHE HA 1 10 ALA H 2.700 . 3.600 3.572 3.391 3.636 0.036 18 0 "[ . 1 . 2]" 1
144 1 11 ILE H 1 11 ILE HB 2.500 . 3.300 2.675 2.609 2.757 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE H 1 11 ILE MG 3.000 . 4.100 3.763 3.755 3.769 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE H 1 11 ILE HG13 2.900 . 3.900 3.503 3.442 3.546 . 0 0 "[ . 1 . 2]" 1
147 1 7 PHE HA 1 11 ILE H 4.100 . 6.000 4.472 4.381 4.566 . 0 0 "[ . 1 . 2]" 1
148 1 12 SER H 1 15 ASN QB 3.700 . 5.400 4.430 4.244 4.737 . 0 0 "[ . 1 . 2]" 1
149 1 11 ILE HB 1 12 SER H 2.500 . 3.300 2.481 2.238 2.579 . 0 0 "[ . 1 . 2]" 1
150 1 13 TYR H 1 13 TYR HB3 2.400 . 3.100 2.570 2.486 2.629 . 0 0 "[ . 1 . 2]" 1
151 1 13 TYR H 1 13 TYR HB2 2.400 . 3.100 2.519 2.440 2.585 . 0 0 "[ . 1 . 2]" 1
152 1 13 TYR H 1 14 VAL QG 3.500 . 5.000 4.012 3.914 4.171 . 0 0 "[ . 1 . 2]" 1
153 1 13 TYR H 2 5 LEU QD 4.900 . 6.000 4.133 3.931 4.513 . 0 0 "[ . 1 . 2]" 1
154 1 13 TYR HB2 1 14 VAL H 2.700 . 3.600 3.665 3.627 3.722 0.122 19 0 "[ . 1 . 2]" 1
155 1 14 VAL H 1 14 VAL HB 2.500 . 3.300 2.629 2.587 2.684 . 0 0 "[ . 1 . 2]" 1
156 1 14 VAL H 1 14 VAL QG 2.200 . 2.800 1.976 1.802 2.173 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL H 2 5 LEU QD 3.900 . 5.800 3.434 3.037 3.758 . 0 0 "[ . 1 . 2]" 1
158 1 13 TYR QD 1 14 VAL H 3.100 . 4.300 3.690 3.438 3.935 . 0 0 "[ . 1 . 2]" 1
159 1 12 SER HA 1 15 ASN H 3.300 . 4.700 3.583 3.313 3.837 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL HA 1 15 ASN H 3.100 . 4.300 3.519 3.496 3.544 . 0 0 "[ . 1 . 2]" 1
161 1 15 ASN H 1 15 ASN QB 2.100 . 2.700 2.200 2.144 2.233 . 0 0 "[ . 1 . 2]" 1
162 1 14 VAL HB 1 15 ASN H 2.700 . 3.600 2.561 2.472 2.676 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL QG 1 15 ASN H 2.800 . 3.800 3.234 3.182 3.295 . 0 0 "[ . 1 . 2]" 1
164 1 15 ASN H 2 12 LEU QD 2.700 . 3.600 2.644 2.496 2.849 . 0 0 "[ . 1 . 2]" 1
165 1 15 ASN HA 1 16 LYS H 2.800 . 3.700 3.544 3.532 3.576 . 0 0 "[ . 1 . 2]" 1
166 1 15 ASN HB2 1 16 LYS H 2.500 . 3.300 3.638 3.442 3.908 0.608 12 8 "[ * * * 1*+ - **]" 1
167 1 16 LYS H 1 16 LYS QB 2.100 . 2.700 2.284 2.244 2.580 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL HA 1 17 ILE H 3.200 . 4.500 3.604 3.443 3.710 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS HA 1 17 ILE H 3.500 . 5.100 3.524 3.513 3.538 . 0 0 "[ . 1 . 2]" 1
170 1 15 ASN HA 1 17 ILE H 4.300 . 6.000 4.353 4.240 4.508 . 0 0 "[ . 1 . 2]" 1
171 1 16 LYS HB3 1 17 ILE H 2.900 . 3.900 2.765 2.613 3.770 . 0 0 "[ . 1 . 2]" 1
172 1 17 ILE H 1 17 ILE HB 2.400 . 3.100 2.452 2.412 2.510 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE H 1 17 ILE HG13 2.500 . 3.300 2.229 2.100 2.322 . 0 0 "[ . 1 . 2]" 1
174 1 17 ILE H 1 17 ILE HG12 2.800 . 3.800 3.506 3.411 3.605 . 0 0 "[ . 1 . 2]" 1
175 1 18 LYS H 1 28 TYR QD 3.600 . 5.200 3.895 3.444 4.058 . 0 0 "[ . 1 . 2]" 1
176 1 18 LYS H 1 28 TYR QE 3.300 . 4.700 3.683 3.296 4.083 . 0 0 "[ . 1 . 2]" 1
177 1 15 ASN HA 1 18 LYS H 3.100 . 4.300 3.477 3.303 3.647 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE HB 1 18 LYS H 2.600 . 3.400 2.636 2.490 2.735 . 0 0 "[ . 1 . 2]" 1
179 1 18 LYS H 1 18 LYS QB 2.400 . 3.100 2.242 2.213 2.386 . 0 0 "[ . 1 . 2]" 1
180 1 18 LYS H 1 18 LYS HG2 3.400 . 4.900 4.355 3.393 4.530 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE MD 1 18 LYS H 4.200 . 6.000 4.618 4.494 4.667 . 0 0 "[ . 1 . 2]" 1
182 1 19 THR H 1 28 TYR QD 5.100 . 6.000 5.920 5.510 6.133 0.133 11 0 "[ . 1 . 2]" 1
183 1 18 LYS HA 1 19 THR H 3.200 . 4.500 3.541 3.526 3.557 . 0 0 "[ . 1 . 2]" 1
184 1 18 LYS QB 1 19 THR H 2.600 . 3.500 2.235 2.124 2.434 . 0 0 "[ . 1 . 2]" 1
185 1 19 THR H 1 22 LEU QD 4.100 . 6.000 3.749 3.532 4.011 . 0 0 "[ . 1 . 2]" 1
186 1 20 ARG H 1 72 LEU MD1 5.600 . 6.000 4.750 4.158 5.317 . 0 0 "[ . 1 . 2]" 1
187 1 20 ARG H 1 20 ARG HG2 3.400 . 4.800 4.610 4.591 4.620 . 0 0 "[ . 1 . 2]" 1
188 1 20 ARG H 1 20 ARG HB3 2.400 . 3.100 2.407 2.342 2.501 . 0 0 "[ . 1 . 2]" 1
189 1 20 ARG H 1 20 ARG HB2 2.400 . 3.100 2.661 2.544 2.735 . 0 0 "[ . 1 . 2]" 1
190 1 21 PHE H 1 21 PHE HB3 2.700 . 3.600 3.645 3.632 3.655 0.055 19 0 "[ . 1 . 2]" 1
191 1 20 ARG HA 1 21 PHE H 2.900 . 3.900 3.559 3.536 3.568 . 0 0 "[ . 1 . 2]" 1
192 1 20 ARG QD 1 21 PHE H 3.000 . 4.100 4.186 4.161 4.219 0.119 8 0 "[ . 1 . 2]" 1
193 1 21 PHE H 1 21 PHE HB2 2.700 . 3.600 2.485 2.448 2.528 . 0 0 "[ . 1 . 2]" 1
194 1 20 ARG HB2 1 21 PHE H 2.900 . 3.900 3.752 3.624 3.864 . 0 0 "[ . 1 . 2]" 1
195 1 20 ARG HB3 1 21 PHE H 2.800 . 3.800 2.302 2.138 2.476 . 0 0 "[ . 1 . 2]" 1
196 1 20 ARG HG3 1 21 PHE H 3.700 . 5.400 3.149 3.035 3.270 . 0 0 "[ . 1 . 2]" 1
197 1 20 ARG HG2 1 21 PHE H 3.900 . 5.800 4.254 4.133 4.412 . 0 0 "[ . 1 . 2]" 1
198 1 21 PHE HA 1 22 LEU H 2.800 . 3.800 2.810 2.744 2.863 . 0 0 "[ . 1 . 2]" 1
199 1 21 PHE HB2 1 22 LEU H 4.300 . 6.000 4.268 4.219 4.350 . 0 0 "[ . 1 . 2]" 1
200 1 22 LEU H 1 22 LEU HB2 2.200 . 2.800 2.410 2.328 2.457 . 0 0 "[ . 1 . 2]" 1
201 1 22 LEU H 1 22 LEU QD 2.800 . 3.800 3.188 3.125 3.285 . 0 0 "[ . 1 . 2]" 1
202 1 21 PHE HA 1 23 ASP H 3.300 . 4.700 3.368 3.257 3.537 . 0 0 "[ . 1 . 2]" 1
203 1 22 LEU HA 1 23 ASP H 3.000 . 4.100 3.510 3.484 3.543 . 0 0 "[ . 1 . 2]" 1
204 1 23 ASP H 1 25 PRO HD2 3.900 . 5.800 5.833 5.686 5.866 0.066 5 0 "[ . 1 . 2]" 1
205 1 23 ASP H 1 23 ASP QB 2.300 . 3.000 2.331 2.261 2.456 . 0 0 "[ . 1 . 2]" 1
206 1 22 LEU HB2 1 23 ASP H 2.900 . 3.900 2.772 2.611 2.908 . 0 0 "[ . 1 . 2]" 1
207 1 22 LEU HB3 1 23 ASP H 2.700 . 3.600 3.603 3.496 3.643 0.043 19 0 "[ . 1 . 2]" 1
208 1 22 LEU QD 1 23 ASP H 3.600 . 5.300 4.160 4.086 4.215 . 0 0 "[ . 1 . 2]" 1
209 1 21 PHE HA 1 24 HIS H 3.200 . 4.500 3.139 3.030 3.285 . 0 0 "[ . 1 . 2]" 1
210 1 23 ASP HA 1 24 HIS H 2.900 . 3.900 3.506 3.403 3.539 . 0 0 "[ . 1 . 2]" 1
211 1 21 PHE HB3 1 24 HIS H 2.900 . 3.900 3.049 2.851 3.494 . 0 0 "[ . 1 . 2]" 1
212 1 24 HIS H 1 25 PRO HD2 3.000 . 4.200 4.111 4.035 4.140 . 0 0 "[ . 1 . 2]" 1
213 1 24 HIS H 1 24 HIS HB2 2.600 . 3.400 2.517 2.418 3.489 0.089 16 0 "[ . 1 . 2]" 1
214 1 24 HIS H 1 24 HIS HB3 2.700 . 3.600 3.626 3.440 3.680 0.080 8 0 "[ . 1 . 2]" 1
215 1 23 ASP QB 1 24 HIS H 2.800 . 3.800 2.700 2.605 3.015 . 0 0 "[ . 1 . 2]" 1
216 1 25 PRO HA 1 26 GLU H 3.500 . 5.000 3.528 3.507 3.542 . 0 0 "[ . 1 . 2]" 1
217 1 24 HIS HA 1 26 GLU H 3.100 . 4.300 3.509 3.362 3.601 . 0 0 "[ . 1 . 2]" 1
218 1 25 PRO HD2 1 26 GLU H 2.900 . 3.900 2.949 2.748 3.069 . 0 0 "[ . 1 . 2]" 1
219 1 25 PRO HD3 1 26 GLU H 3.200 . 4.400 3.990 3.878 4.054 . 0 0 "[ . 1 . 2]" 1
220 1 26 GLU H 1 26 GLU HG2 2.900 . 3.900 2.239 2.094 3.137 . 0 0 "[ . 1 . 2]" 1
221 1 26 GLU H 1 26 GLU HG3 2.900 . 3.900 3.385 3.300 3.812 . 0 0 "[ . 1 . 2]" 1
222 1 26 GLU H 1 27 ILE HB 3.400 . 4.800 3.755 3.605 3.821 . 0 0 "[ . 1 . 2]" 1
223 1 26 GLU HA 1 27 ILE H 3.200 . 4.500 3.499 3.481 3.517 . 0 0 "[ . 1 . 2]" 1
224 1 24 HIS HB2 1 27 ILE H 4.100 . 6.000 3.994 3.108 4.251 . 0 0 "[ . 1 . 2]" 1
225 1 24 HIS HB3 1 27 ILE H 4.500 . 6.000 3.295 3.143 4.634 . 0 0 "[ . 1 . 2]" 1
226 1 26 GLU HG2 1 27 ILE H 4.000 . 6.000 2.672 2.116 2.808 . 0 0 "[ . 1 . 2]" 1
227 1 26 GLU HG3 1 27 ILE H 3.000 . 4.200 2.568 2.282 3.915 . 0 0 "[ . 1 . 2]" 1
228 1 27 ILE H 1 27 ILE HB 2.300 . 3.000 2.778 2.675 2.950 . 0 0 "[ . 1 . 2]" 1
229 1 27 ILE H 1 27 ILE HG13 2.900 . 3.900 3.257 3.087 3.365 . 0 0 "[ . 1 . 2]" 1
230 1 27 ILE H 1 27 ILE MG 3.100 . 4.300 3.733 3.677 3.755 . 0 0 "[ . 1 . 2]" 1
231 1 28 TYR H 1 28 TYR HB3 2.600 . 3.400 2.575 2.497 2.660 . 0 0 "[ . 1 . 2]" 1
232 1 28 TYR H 1 28 TYR HB2 2.600 . 3.400 2.431 2.341 2.518 . 0 0 "[ . 1 . 2]" 1
233 1 27 ILE HB 1 28 TYR H 2.800 . 3.800 2.367 2.224 2.580 . 0 0 "[ . 1 . 2]" 1
234 1 27 ILE MG 1 28 TYR H 3.600 . 5.200 3.626 3.478 3.826 . 0 0 "[ . 1 . 2]" 1
235 1 28 TYR H 1 28 TYR QD 3.300 . 4.600 4.152 4.110 4.180 . 0 0 "[ . 1 . 2]" 1
236 1 28 TYR HA 1 29 ARG H 2.800 . 3.800 3.544 3.524 3.556 . 0 0 "[ . 1 . 2]" 1
237 1 28 TYR HB3 1 29 ARG H 2.500 . 3.300 2.355 2.042 2.453 . 0 0 "[ . 1 . 2]" 1
238 1 29 ARG H 1 29 ARG HB2 2.200 . 2.800 2.425 2.314 2.507 . 0 0 "[ . 1 . 2]" 1
239 1 29 ARG H 1 29 ARG HG3 2.900 . 4.000 3.563 3.432 3.700 . 0 0 "[ . 1 . 2]" 1
240 1 30 SER H 1 30 SER QB 2.600 . 3.400 2.442 2.258 2.577 . 0 0 "[ . 1 . 2]" 1
241 1 27 ILE HA 1 30 SER H 2.900 . 4.000 3.836 3.670 4.020 0.020 2 0 "[ . 1 . 2]" 1
242 1 29 ARG HB2 1 30 SER H 2.400 . 3.100 2.320 2.221 2.450 . 0 0 "[ . 1 . 2]" 1
243 1 30 SER H 1 65 LEU QD 3.100 . 4.300 3.583 3.435 3.742 . 0 0 "[ . 1 . 2]" 1
244 1 31 PHE H 1 31 PHE HB2 2.500 . 3.300 2.610 2.559 2.660 . 0 0 "[ . 1 . 2]" 1
245 1 31 PHE H 1 31 PHE HB3 2.500 . 3.300 2.439 2.403 2.494 . 0 0 "[ . 1 . 2]" 1
246 1 31 PHE H 1 65 LEU MD1 2.600 . 3.400 2.245 2.112 2.389 . 0 0 "[ . 1 . 2]" 1
247 1 31 PHE HB3 1 32 LEU H 3.300 . 4.700 2.461 2.382 2.567 . 0 0 "[ . 1 . 2]" 1
248 1 32 LEU H 1 32 LEU HB2 2.600 . 3.500 2.585 2.498 2.649 . 0 0 "[ . 1 . 2]" 1
249 1 32 LEU H 1 32 LEU HG 2.500 . 3.300 2.084 1.964 2.226 . 0 0 "[ . 1 . 2]" 1
250 1 32 LEU H 1 32 LEU HB3 2.900 . 4.000 3.579 3.569 3.586 . 0 0 "[ . 1 . 2]" 1
251 1 32 LEU H 1 32 LEU QD 2.500 . 3.300 2.854 2.638 3.023 . 0 0 "[ . 1 . 2]" 1
252 1 31 PHE QD 1 32 LEU H 3.000 . 4.100 3.325 3.227 3.427 . 0 0 "[ . 1 . 2]" 1
253 1 29 ARG HA 1 33 GLU H 3.700 . 5.400 4.301 4.180 4.535 . 0 0 "[ . 1 . 2]" 1
254 1 32 LEU HA 1 33 GLU H 3.200 . 4.500 3.532 3.512 3.574 . 0 0 "[ . 1 . 2]" 1
255 1 32 LEU HB2 1 33 GLU H 2.600 . 3.400 2.578 2.373 2.722 . 0 0 "[ . 1 . 2]" 1
256 1 32 LEU HG 1 33 GLU H 3.400 . 4.900 4.150 4.031 4.365 . 0 0 "[ . 1 . 2]" 1
257 1 32 LEU HB3 1 33 GLU H 3.000 . 4.200 3.711 3.561 3.825 . 0 0 "[ . 1 . 2]" 1
258 1 32 LEU QD 1 33 GLU H 3.000 . 4.200 4.033 3.924 4.144 . 0 0 "[ . 1 . 2]" 1
259 1 33 GLU HA 1 34 ILE H 3.100 . 4.300 3.502 3.467 3.530 . 0 0 "[ . 1 . 2]" 1
260 1 34 ILE H 1 34 ILE HB 2.100 . 2.700 1.996 1.895 2.085 . 0 0 "[ . 1 . 2]" 1
261 1 34 ILE H 1 34 ILE MD 2.500 . 3.300 3.242 3.218 3.269 . 0 0 "[ . 1 . 2]" 1
262 1 32 LEU HA 1 35 LEU H 3.300 . 4.700 3.596 3.447 3.722 . 0 0 "[ . 1 . 2]" 1
263 1 35 LEU H 1 35 LEU HG 2.500 . 3.300 2.214 2.119 2.326 . 0 0 "[ . 1 . 2]" 1
264 1 35 LEU H 1 35 LEU HB3 2.800 . 3.800 3.590 3.581 3.596 . 0 0 "[ . 1 . 2]" 1
265 1 35 LEU HA 1 36 HIS H 3.400 . 4.800 3.498 3.481 3.518 . 0 0 "[ . 1 . 2]" 1
266 1 36 HIS H 1 36 HIS HB2 2.200 . 2.800 2.084 2.034 2.165 . 0 0 "[ . 1 . 2]" 1
267 1 35 LEU HB2 1 36 HIS H 2.900 . 3.900 2.597 2.475 2.684 . 0 0 "[ . 1 . 2]" 1
268 1 35 LEU HG 1 36 HIS H 3.800 . 5.600 4.254 4.136 4.385 . 0 0 "[ . 1 . 2]" 1
269 1 35 LEU HB3 1 36 HIS H 3.200 . 4.500 3.666 3.492 3.749 . 0 0 "[ . 1 . 2]" 1
270 1 36 HIS H 2 6 LEU QD 3.000 . 4.100 2.737 2.328 3.220 . 0 0 "[ . 1 . 2]" 1
271 1 34 ILE HA 1 37 THR H 3.500 . 5.000 3.501 3.378 3.627 . 0 0 "[ . 1 . 2]" 1
272 1 36 HIS QB 1 37 THR H 2.600 . 3.400 2.657 2.549 2.778 . 0 0 "[ . 1 . 2]" 1
273 1 33 GLU HA 1 37 THR H 3.400 . 4.800 3.766 3.521 3.937 . 0 0 "[ . 1 . 2]" 1
274 1 37 THR H 1 37 THR HB 2.400 . 3.100 2.528 2.485 2.597 . 0 0 "[ . 1 . 2]" 1
275 1 38 TYR H 1 38 TYR QB 2.200 . 2.800 2.205 2.151 2.229 . 0 0 "[ . 1 . 2]" 1
276 1 38 TYR H 1 38 TYR QD 3.000 . 4.100 4.150 4.051 4.169 0.069 1 0 "[ . 1 . 2]" 1
277 1 38 TYR HA 1 39 GLN H 3.100 . 4.300 3.548 3.524 3.575 . 0 0 "[ . 1 . 2]" 1
278 1 38 TYR HB2 1 39 GLN H 2.700 . 3.600 3.735 3.643 4.072 0.472 18 0 "[ . 1 . 2]" 1
279 1 39 GLN H 1 39 GLN QG 2.900 . 4.000 2.545 2.054 3.791 . 0 0 "[ . 1 . 2]" 1
280 1 39 GLN H 1 39 GLN HB2 2.300 . 3.000 2.413 2.192 2.667 . 0 0 "[ . 1 . 2]" 1
281 1 36 HIS HA 1 40 LYS H 3.800 . 5.600 4.123 3.543 4.649 . 0 0 "[ . 1 . 2]" 1
282 1 39 GLN QG 1 40 LYS H 3.500 . 5.000 4.082 2.938 4.667 . 0 0 "[ . 1 . 2]" 1
283 1 39 GLN QB 1 40 LYS H 2.600 . 3.400 2.635 2.525 2.874 . 0 0 "[ . 1 . 2]" 1
284 1 40 LYS H 1 40 LYS HB2 2.100 . 2.700 2.444 2.118 2.615 . 0 0 "[ . 1 . 2]" 1
285 1 40 LYS H 1 40 LYS HG3 2.800 . 3.800 2.907 2.078 4.044 0.244 8 0 "[ . 1 . 2]" 1
286 1 40 LYS HA 1 41 GLU H 2.800 . 3.800 3.557 3.513 3.574 . 0 0 "[ . 1 . 2]" 1
287 1 40 LYS HB2 1 41 GLU H 2.200 . 2.800 2.600 1.980 3.559 0.759 7 3 "[ . +- 1 . *2]" 1
288 1 40 LYS QG 1 41 GLU H 4.100 . 6.000 4.021 3.771 4.347 . 0 0 "[ . 1 . 2]" 1
289 1 41 GLU HA 1 42 GLN H 2.900 . 4.000 3.268 2.682 3.575 . 0 0 "[ . 1 . 2]" 1
290 1 39 GLN HA 1 42 GLN H 3.300 . 4.700 3.772 3.183 4.720 0.020 1 0 "[ . 1 . 2]" 1
291 1 42 GLN H 1 42 GLN QB 2.500 . 2.800 2.359 2.131 2.719 . 0 0 "[ . 1 . 2]" 1
292 1 42 GLN HA 1 43 LEU H 2.700 . 3.600 3.490 3.086 3.574 . 0 0 "[ . 1 . 2]" 1
293 1 42 GLN QB 1 43 LEU H 2.900 . 3.900 2.627 1.802 3.641 0.098 14 0 "[ . 1 . 2]" 1
294 1 43 LEU H 1 43 LEU HG 2.200 . 2.800 2.272 1.758 2.613 . 0 0 "[ . 1 . 2]" 1
295 1 43 LEU H 1 43 LEU QD 3.000 . 4.100 3.062 2.197 3.258 . 0 0 "[ . 1 . 2]" 1
296 1 43 LEU HA 1 44 HIS H 2.800 . 3.800 3.031 2.156 3.567 . 0 0 "[ . 1 . 2]" 1
297 1 44 HIS H 1 44 HIS QB 3.000 . 4.100 3.073 2.417 3.455 . 0 0 "[ . 1 . 2]" 1
298 1 45 THR H 1 45 THR MG 3.900 . 5.800 2.827 2.281 4.022 . 0 0 "[ . 1 . 2]" 1
299 1 44 HIS HA 1 45 THR H 3.000 . 4.100 2.734 2.116 3.569 . 0 0 "[ . 1 . 2]" 1
300 1 46 LYS H 1 46 LYS HB2 2.500 . 3.300 2.859 2.304 3.522 0.222 6 0 "[ . 1 . 2]" 1
301 1 46 LYS H 1 46 LYS QG 3.600 . 5.300 3.390 2.012 4.473 . 0 0 "[ . 1 . 2]" 1
302 1 45 THR MG 1 46 LYS H 3.900 . 5.800 3.578 2.285 4.352 . 0 0 "[ . 1 . 2]" 1
303 1 46 LYS H 1 46 LYS HA 2.800 . 3.700 2.741 2.263 2.943 . 0 0 "[ . 1 . 2]" 1
304 1 46 LYS QB 1 47 GLY H 4.100 . 6.000 3.182 2.120 3.936 . 0 0 "[ . 1 . 2]" 1
305 1 47 GLY HA2 1 48 ARG H 2.500 . 3.300 2.762 2.154 3.567 0.267 1 0 "[ . 1 . 2]" 1
306 1 47 GLY HA3 1 48 ARG H 2.600 . 3.500 2.722 2.125 3.529 0.029 19 0 "[ . 1 . 2]" 1
307 1 48 ARG H 1 49 PRO HD3 3.900 . 5.800 5.069 4.818 5.255 . 0 0 "[ . 1 . 2]" 1
308 1 48 ARG H 1 48 ARG QD 3.900 . 5.800 3.907 3.731 4.271 . 0 0 "[ . 1 . 2]" 1
309 1 48 ARG H 1 48 ARG HB2 2.500 . 3.300 2.507 2.320 2.624 . 0 0 "[ . 1 . 2]" 1
310 1 48 ARG H 1 48 ARG HG3 2.300 . 2.900 2.229 1.974 2.682 . 0 0 "[ . 1 . 2]" 1
311 1 49 PRO HA 1 50 PHE H 2.200 . 2.800 2.285 2.104 2.833 0.033 20 0 "[ . 1 . 2]" 1
312 1 50 PHE H 1 50 PHE QB 2.400 . 3.100 2.880 2.260 3.159 0.059 9 0 "[ . 1 . 2]" 1
313 1 49 PRO HB3 1 50 PHE H 3.300 . 4.600 3.677 3.058 4.055 . 0 0 "[ . 1 . 2]" 1
314 1 49 PRO QG 1 50 PHE H 4.200 . 6.000 4.443 3.446 4.817 . 0 0 "[ . 1 . 2]" 1
315 1 49 PRO HB2 1 50 PHE H 3.000 . 4.100 3.111 1.741 3.723 0.159 20 0 "[ . 1 . 2]" 1
316 1 50 PHE H 1 50 PHE QD 3.500 . 5.100 4.137 2.054 4.511 . 0 0 "[ . 1 . 2]" 1
317 1 50 PHE QB 1 51 ARG H 2.800 . 3.800 3.544 2.477 3.974 0.174 8 0 "[ . 1 . 2]" 1
318 1 51 ARG H 1 51 ARG HB2 2.800 . 3.700 2.828 2.205 3.530 . 0 0 "[ . 1 . 2]" 1
319 1 50 PHE QD 1 51 ARG H 3.800 . 5.600 3.080 2.298 4.675 . 0 0 "[ . 1 . 2]" 1
320 1 51 ARG HA 1 52 GLY H 2.400 . 3.100 2.864 2.081 3.465 0.365 15 0 "[ . 1 . 2]" 1
321 1 51 ARG HB2 1 52 GLY H 3.100 . 4.300 4.116 2.691 4.566 0.266 5 0 "[ . 1 . 2]" 1
322 1 51 ARG H 1 52 GLY H 2.600 . 3.400 2.921 1.854 3.551 0.151 8 0 "[ . 1 . 2]" 1
323 1 52 GLY HA2 1 53 MET H 2.500 . 3.300 2.586 2.071 3.191 . 0 0 "[ . 1 . 2]" 1
324 1 53 MET H 1 53 MET QG 3.100 . 4.300 4.075 3.851 4.325 0.025 10 0 "[ . 1 . 2]" 1
325 1 53 MET H 1 53 MET HB3 2.400 . 3.100 2.766 2.214 3.108 0.008 10 0 "[ . 1 . 2]" 1
326 1 53 MET H 1 53 MET HB2 2.500 . 3.300 3.096 2.375 3.467 0.167 12 0 "[ . 1 . 2]" 1
327 1 38 TYR QD 1 53 MET H 5.000 . 6.000 5.645 5.192 5.995 . 0 0 "[ . 1 . 2]" 1
328 1 38 TYR QE 1 53 MET H 4.700 . 6.000 5.962 5.740 6.056 0.056 10 0 "[ . 1 . 2]" 1
329 1 54 SER H 1 57 GLU H 3.900 . 5.800 2.860 2.591 3.130 . 0 0 "[ . 1 . 2]" 1
330 1 54 SER H 1 54 SER HB3 2.700 . 3.600 3.435 3.033 3.883 0.283 12 0 "[ . 1 . 2]" 1
331 1 53 MET QG 1 54 SER H 2.900 . 3.900 2.417 2.015 3.091 . 0 0 "[ . 1 . 2]" 1
332 1 54 SER H 1 56 GLU QG 2.500 . 3.300 2.979 2.562 3.375 0.075 19 0 "[ . 1 . 2]" 1
333 1 53 MET HB3 1 54 SER H 2.700 . 3.600 3.528 3.274 3.752 0.152 20 0 "[ . 1 . 2]" 1
334 1 53 MET HB2 1 54 SER H 3.300 . 4.700 4.042 3.815 4.304 . 0 0 "[ . 1 . 2]" 1
335 1 54 SER HA 1 55 GLU H 2.700 . 3.600 3.023 2.849 3.549 . 0 0 "[ . 1 . 2]" 1
336 1 54 SER HB2 1 55 GLU H 2.600 . 3.500 2.278 1.696 3.555 0.055 19 0 "[ . 1 . 2]" 1
337 1 54 SER HB3 1 55 GLU H 2.600 . 3.500 2.811 1.647 3.374 0.053 12 0 "[ . 1 . 2]" 1
338 1 55 GLU H 1 55 GLU HA 2.900 . 3.900 2.820 2.782 2.924 . 0 0 "[ . 1 . 2]" 1
339 1 55 GLU H 1 55 GLU QG 2.500 . 3.300 2.670 2.053 3.405 0.105 10 0 "[ . 1 . 2]" 1
340 1 55 GLU H 1 55 GLU HB2 2.400 . 3.100 2.603 2.385 3.243 0.143 10 0 "[ . 1 . 2]" 1
341 1 56 GLU H 1 56 GLU HA 2.700 . 3.600 2.782 2.762 2.805 . 0 0 "[ . 1 . 2]" 1
342 1 56 GLU H 1 56 GLU HG2 2.700 . 3.600 2.042 1.937 2.094 . 0 0 "[ . 1 . 2]" 1
343 1 54 SER HB2 1 56 GLU H 3.200 . 4.500 3.747 2.821 5.026 0.526 19 1 "[ . 1 . +2]" 1
344 1 56 GLU HG3 1 57 GLU H 2.100 . 2.700 1.905 1.822 2.031 . 0 0 "[ . 1 . 2]" 1
345 1 73 LEU H 1 73 LEU HB2 2.200 . 2.800 1.971 1.910 2.235 . 0 0 "[ . 1 . 2]" 1
346 1 57 GLU HA 1 58 VAL H 3.100 . 4.300 3.559 3.548 3.570 . 0 0 "[ . 1 . 2]" 1
347 1 58 VAL H 1 58 VAL MG2 2.300 . 3.000 2.004 1.774 2.226 . 0 0 "[ . 1 . 2]" 1
348 1 59 PHE H 1 76 PHE QE 3.600 . 5.200 3.837 3.608 3.969 . 0 0 "[ . 1 . 2]" 1
349 1 59 PHE H 1 59 PHE HB3 2.700 . 3.600 2.505 2.443 2.585 . 0 0 "[ . 1 . 2]" 1
350 1 58 VAL HB 1 59 PHE H 2.700 . 3.600 2.544 2.435 2.631 . 0 0 "[ . 1 . 2]" 1
351 1 58 VAL QG 1 59 PHE H 2.700 . 3.600 3.206 3.158 3.261 . 0 0 "[ . 1 . 2]" 1
352 1 59 PHE H 1 80 LEU QD 3.400 . 4.800 3.477 3.139 3.848 . 0 0 "[ . 1 . 2]" 1
353 1 59 PHE H 1 59 PHE HB2 2.200 . 2.800 2.547 2.461 2.600 . 0 0 "[ . 1 . 2]" 1
354 1 60 THR HB 1 61 GLU H 2.700 . 3.600 2.391 2.242 2.538 . 0 0 "[ . 1 . 2]" 1
355 1 61 GLU H 1 61 GLU HB2 2.300 . 3.000 2.493 2.329 2.570 . 0 0 "[ . 1 . 2]" 1
356 1 34 ILE MD 1 61 GLU H 3.400 . 4.900 3.468 3.299 3.590 . 0 0 "[ . 1 . 2]" 1
357 1 61 GLU H 1 62 VAL MG2 4.900 . 6.000 4.312 4.205 4.439 . 0 0 "[ . 1 . 2]" 1
358 1 58 VAL HA 1 62 VAL H 5.100 . 6.000 3.952 3.681 4.148 . 0 0 "[ . 1 . 2]" 1
359 1 60 THR HA 1 62 VAL H 4.700 . 6.000 4.612 4.522 4.807 . 0 0 "[ . 1 . 2]" 1
360 1 61 GLU QB 1 62 VAL H 2.500 . 3.300 2.474 2.339 2.647 . 0 0 "[ . 1 . 2]" 1
361 1 62 VAL H 1 62 VAL HB 2.400 . 3.100 2.543 2.482 2.572 . 0 0 "[ . 1 . 2]" 1
362 1 34 ILE MD 1 62 VAL H 2.900 . 3.900 2.420 2.278 2.619 . 0 0 "[ . 1 . 2]" 1
363 1 62 VAL H 1 62 VAL MG2 2.400 . 3.100 2.181 2.030 2.413 . 0 0 "[ . 1 . 2]" 1
364 1 63 ALA H 1 63 ALA HA 2.500 . 3.300 2.809 2.799 2.814 . 0 0 "[ . 1 . 2]" 1
365 1 63 ALA H 1 64 ASN QB 4.300 . 6.000 4.535 4.479 4.716 . 0 0 "[ . 1 . 2]" 1
366 1 62 VAL HB 1 63 ALA H 2.700 . 3.600 2.590 2.514 2.630 . 0 0 "[ . 1 . 2]" 1
367 1 63 ALA H 1 63 ALA MB 2.200 . 2.800 2.165 2.030 2.235 . 0 0 "[ . 1 . 2]" 1
368 1 63 ALA H 1 73 LEU QD 2.900 . 4.000 3.308 2.871 3.727 . 0 0 "[ . 1 . 2]" 1
369 1 62 VAL MG2 1 63 ALA H 3.600 . 5.200 3.817 3.765 3.862 . 0 0 "[ . 1 . 2]" 1
370 1 62 VAL MG1 1 63 ALA H 3.200 . 4.500 3.480 3.289 3.556 . 0 0 "[ . 1 . 2]" 1
371 1 61 GLU HA 1 64 ASN H 2.900 . 3.900 3.543 3.432 3.902 0.002 13 0 "[ . 1 . 2]" 1
372 1 64 ASN H 1 64 ASN HB2 2.100 . 2.700 2.525 2.327 3.557 0.857 19 3 "[ * . 1 - . +2]" 1
373 1 63 ALA MB 1 64 ASN H 2.400 . 3.100 2.581 2.458 2.672 . 0 0 "[ . 1 . 2]" 1
374 1 64 ASN H 1 67 ARG H 4.400 . 6.000 5.862 5.741 6.003 0.003 5 0 "[ . 1 . 2]" 1
375 1 64 ASN HA 1 65 LEU H 3.500 . 5.000 3.522 3.500 3.540 . 0 0 "[ . 1 . 2]" 1
376 1 63 ALA HA 1 65 LEU H 4.300 . 6.000 4.328 4.230 4.440 . 0 0 "[ . 1 . 2]" 1
377 1 62 VAL HA 1 65 LEU H 3.000 . 4.100 3.391 3.248 3.566 . 0 0 "[ . 1 . 2]" 1
378 1 64 ASN QB 1 65 LEU H 2.500 . 3.300 2.734 2.550 3.417 0.117 19 0 "[ . 1 . 2]" 1
379 1 65 LEU H 1 65 LEU HG 2.600 . 3.500 3.262 3.157 3.512 0.012 18 0 "[ . 1 . 2]" 1
380 1 65 LEU H 1 65 LEU HB2 2.200 . 2.800 2.047 2.007 2.068 . 0 0 "[ . 1 . 2]" 1
381 1 65 LEU H 1 65 LEU QD 2.700 . 3.600 3.499 3.442 3.551 . 0 0 "[ . 1 . 2]" 1
382 1 66 PHE H 1 66 PHE QD 3.000 . 4.100 2.518 2.279 2.810 . 0 0 "[ . 1 . 2]" 1
383 1 65 LEU HA 1 66 PHE H 3.100 . 4.300 3.536 3.527 3.543 . 0 0 "[ . 1 . 2]" 1
384 1 66 PHE H 1 66 PHE HB2 2.400 . 3.100 2.458 2.377 2.534 . 0 0 "[ . 1 . 2]" 1
385 1 65 LEU QD 1 66 PHE H 3.200 . 4.500 3.627 3.553 3.669 . 0 0 "[ . 1 . 2]" 1
386 1 62 VAL MG1 1 66 PHE H 5.400 . 6.000 3.536 3.344 3.676 . 0 0 "[ . 1 . 2]" 1
387 1 65 LEU QB 1 66 PHE H 2.500 . 3.300 2.188 2.112 2.231 . 0 0 "[ . 1 . 2]" 1
388 1 65 LEU HG 1 66 PHE H 3.900 . 5.800 4.649 4.601 4.699 . 0 0 "[ . 1 . 2]" 1
389 1 66 PHE QD 1 67 ARG H 4.300 . 6.000 4.274 4.246 4.331 . 0 0 "[ . 1 . 2]" 1
390 1 64 ASN HA 1 67 ARG H 3.400 . 4.800 4.576 4.474 4.682 . 0 0 "[ . 1 . 2]" 1
391 1 66 PHE HA 1 67 ARG H 2.900 . 4.000 2.834 2.762 2.916 . 0 0 "[ . 1 . 2]" 1
392 1 66 PHE HB3 1 67 ARG H 3.700 . 5.400 4.457 4.429 4.483 . 0 0 "[ . 1 . 2]" 1
393 1 67 ARG H 1 67 ARG QD 3.700 . 5.400 4.491 4.022 4.733 . 0 0 "[ . 1 . 2]" 1
394 1 66 PHE HB2 1 67 ARG H 3.800 . 5.600 4.230 4.182 4.271 . 0 0 "[ . 1 . 2]" 1
395 1 67 ARG H 1 67 ARG HB2 2.300 . 3.000 2.535 2.407 2.616 . 0 0 "[ . 1 . 2]" 1
396 1 67 ARG H 1 67 ARG HB3 2.200 . 2.800 2.521 2.468 2.661 . 0 0 "[ . 1 . 2]" 1
397 1 67 ARG HA 1 68 GLY H 2.200 . 2.800 2.171 2.136 2.194 . 0 0 "[ . 1 . 2]" 1
398 1 67 ARG HB2 1 68 GLY H 3.400 . 4.900 4.177 4.070 4.310 . 0 0 "[ . 1 . 2]" 1
399 1 67 ARG HG3 1 68 GLY H 2.700 . 3.600 2.990 2.704 3.390 . 0 0 "[ . 1 . 2]" 1
400 1 68 GLY HA2 1 69 GLN H 2.900 . 3.900 2.795 2.750 2.916 . 0 0 "[ . 1 . 2]" 1
401 1 67 ARG HA 1 69 GLN H 2.800 . 3.800 3.816 3.579 3.865 0.065 2 0 "[ . 1 . 2]" 1
402 1 68 GLY HA3 1 69 GLN H 2.800 . 3.800 3.543 3.494 3.558 . 0 0 "[ . 1 . 2]" 1
403 1 66 PHE HB3 1 69 GLN H 4.000 . 6.000 4.115 3.917 4.311 . 0 0 "[ . 1 . 2]" 1
404 1 69 GLN H 1 69 GLN QG 2.500 . 3.300 2.684 1.679 3.368 0.068 18 0 "[ . 1 . 2]" 1
405 1 69 GLN H 1 69 GLN QB 2.400 . 3.100 2.466 2.332 2.868 . 0 0 "[ . 1 . 2]" 1
406 1 69 GLN H 1 73 LEU MD2 5.500 . 6.000 5.005 4.376 5.568 . 0 0 "[ . 1 . 2]" 1
407 1 69 GLN H 1 72 LEU MD1 4.800 . 6.000 5.957 5.430 6.074 0.074 16 0 "[ . 1 . 2]" 1
408 1 69 GLN H 1 69 GLN QE 3.700 . 5.400 3.401 1.921 4.738 0.079 20 0 "[ . 1 . 2]" 1
409 1 70 GLU H 1 72 LEU H 3.700 . 5.400 4.943 4.238 5.122 . 0 0 "[ . 1 . 2]" 1
410 1 70 GLU HA 1 71 ASP H 3.000 . 4.100 3.314 3.201 3.433 . 0 0 "[ . 1 . 2]" 1
411 1 71 ASP H 1 71 ASP HB2 2.500 . 3.300 3.020 2.497 3.602 0.302 8 0 "[ . 1 . 2]" 1
412 1 71 ASP H 1 71 ASP HB3 2.700 . 3.600 2.726 2.459 3.596 . 0 0 "[ . 1 . 2]" 1
413 1 70 GLU QB 1 71 ASP H 2.700 . 3.600 3.347 3.126 3.551 . 0 0 "[ . 1 . 2]" 1
414 1 71 ASP H 1 72 LEU HG 3.200 . 4.500 4.526 4.442 4.563 0.063 9 0 "[ . 1 . 2]" 1
415 1 71 ASP H 1 72 LEU MD2 6.000 . 6.000 5.516 5.357 5.703 . 0 0 "[ . 1 . 2]" 1
416 1 71 ASP H 1 72 LEU MD1 5.700 . 6.000 5.267 4.922 5.527 . 0 0 "[ . 1 . 2]" 1
417 1 71 ASP HB2 1 72 LEU H 4.000 . 6.000 3.477 2.375 3.821 . 0 0 "[ . 1 . 2]" 1
418 1 72 LEU H 1 72 LEU HG 2.200 . 2.800 2.284 2.152 2.408 . 0 0 "[ . 1 . 2]" 1
419 1 72 LEU H 1 72 LEU HB2 2.900 . 4.000 2.468 2.424 2.528 . 0 0 "[ . 1 . 2]" 1
420 1 73 LEU H 1 73 LEU MD2 2.800 . 3.800 2.963 2.433 3.942 0.142 6 0 "[ . 1 . 2]" 1
421 1 72 LEU HB2 1 73 LEU H 3.600 . 5.200 2.670 2.430 2.788 . 0 0 "[ . 1 . 2]" 1
422 1 73 LEU H 1 73 LEU HB3 2.200 . 2.800 3.082 2.619 3.284 0.484 8 0 "[ . 1 . 2]" 1
423 1 75 GLU H 1 75 GLU HG2 2.800 . 3.800 3.144 2.292 3.415 . 0 0 "[ . 1 . 2]" 1
424 1 75 GLU H 1 75 GLU HB3 2.300 . 3.000 2.372 2.043 3.264 0.264 14 0 "[ . 1 . 2]" 1
425 1 75 GLU H 1 75 GLU HB2 2.500 . 3.300 2.489 2.373 2.569 . 0 0 "[ . 1 . 2]" 1
426 1 13 TYR QE 1 75 GLU H 3.600 . 5.200 3.971 3.748 4.232 . 0 0 "[ . 1 . 2]" 1
427 1 76 PHE H 1 76 PHE HB3 2.300 . 3.000 2.583 2.531 2.678 . 0 0 "[ . 1 . 2]" 1
428 1 76 PHE H 1 76 PHE HB2 2.500 . 3.300 2.449 2.389 2.508 . 0 0 "[ . 1 . 2]" 1
429 1 75 GLU HB3 1 76 PHE H 3.200 . 4.500 3.598 3.319 3.729 . 0 0 "[ . 1 . 2]" 1
430 1 75 GLU HB2 1 76 PHE H 3.200 . 4.500 2.525 2.363 2.736 . 0 0 "[ . 1 . 2]" 1
431 1 13 TYR QE 1 76 PHE H 3.400 . 4.800 3.330 3.086 3.486 . 0 0 "[ . 1 . 2]" 1
432 1 76 PHE H 1 76 PHE QD 3.200 . 4.500 4.154 4.121 4.176 . 0 0 "[ . 1 . 2]" 1
433 1 76 PHE HB2 1 77 GLY H 2.800 . 3.800 3.807 3.745 3.860 0.060 17 0 "[ . 1 . 2]" 1
434 1 76 PHE HB3 1 77 GLY H 2.800 . 3.800 2.533 2.486 2.613 . 0 0 "[ . 1 . 2]" 1
435 1 76 PHE HA 1 77 GLY H 2.800 . 3.800 3.532 3.505 3.547 . 0 0 "[ . 1 . 2]" 1
436 1 77 GLY H 1 78 GLN H 2.500 . 3.300 2.735 2.657 2.951 . 0 0 "[ . 1 . 2]" 1
437 1 78 GLN H 1 80 LEU H 3.500 . 5.000 4.263 4.136 4.462 . 0 0 "[ . 1 . 2]" 1
438 1 75 GLU HA 1 78 GLN H 3.400 . 4.800 3.488 3.304 3.820 . 0 0 "[ . 1 . 2]" 1
439 1 77 GLY HA3 1 78 GLN H 3.200 . 4.500 3.526 3.473 3.584 . 0 0 "[ . 1 . 2]" 1
440 1 78 GLN H 1 78 GLN QG 2.800 . 3.800 2.104 1.905 2.573 . 0 0 "[ . 1 . 2]" 1
441 1 78 GLN H 1 78 GLN HB2 2.200 . 2.800 2.022 1.865 2.518 . 0 0 "[ . 1 . 2]" 1
442 1 78 GLN HA 1 79 PHE H 3.100 . 4.300 3.553 3.522 3.578 . 0 0 "[ . 1 . 2]" 1
443 1 77 GLY HA3 1 79 PHE H 5.400 . 6.000 4.361 4.210 4.475 . 0 0 "[ . 1 . 2]" 1
444 1 79 PHE H 1 79 PHE HB3 2.900 . 4.000 3.589 3.574 3.603 . 0 0 "[ . 1 . 2]" 1
445 1 79 PHE H 1 79 PHE HB2 2.700 . 3.600 2.395 2.361 2.444 . 0 0 "[ . 1 . 2]" 1
446 1 78 GLN HB2 1 79 PHE H 2.900 . 3.900 2.629 2.360 3.950 0.050 11 0 "[ . 1 . 2]" 1
447 1 79 PHE H 1 80 LEU HG 4.300 . 6.000 4.164 3.837 4.390 . 0 0 "[ . 1 . 2]" 1
448 1 79 PHE H 2 2 ILE MD 4.400 . 6.000 5.967 5.740 6.037 0.037 18 0 "[ . 1 . 2]" 1
449 1 80 LEU H 1 81 PRO QD 3.600 . 5.200 4.344 4.224 4.406 . 0 0 "[ . 1 . 2]" 1
450 1 80 LEU H 1 80 LEU HB2 2.400 . 3.100 2.578 2.489 2.673 . 0 0 "[ . 1 . 2]" 1
451 1 80 LEU H 1 80 LEU HG 2.700 . 3.600 2.112 1.968 2.236 . 0 0 "[ . 1 . 2]" 1
452 1 80 LEU H 1 80 LEU QD 3.100 . 3.400 2.924 2.734 3.060 . 0 0 "[ . 1 . 2]" 1
453 1 79 PHE HB2 1 80 LEU H 3.800 . 5.600 2.596 2.483 2.718 . 0 0 "[ . 1 . 2]" 1
454 1 81 PRO QD 1 82 GLU H 3.900 . 5.800 4.789 3.823 5.015 . 0 0 "[ . 1 . 2]" 1
455 1 5 VAL QG 1 6 GLU H 2.700 . 3.600 3.198 3.118 3.277 . 0 0 "[ . 1 . 2]" 1
456 1 7 PHE HB3 1 8 ASN H 2.500 . 3.300 2.267 2.108 2.324 . 0 0 "[ . 1 . 2]" 1
457 1 5 VAL MG1 1 9 ASN H 3.600 . 5.300 3.703 3.487 3.821 . 0 0 "[ . 1 . 2]" 1
458 1 8 ASN QB 1 9 ASN H 3.000 . 4.100 2.878 2.476 3.438 . 0 0 "[ . 1 . 2]" 1
459 1 9 ASN H 1 9 ASN HB3 2.200 . 2.800 2.638 2.380 2.898 0.098 10 0 "[ . 1 . 2]" 1
460 1 9 ASN H 1 9 ASN HB2 2.300 . 3.000 2.328 2.109 2.579 . 0 0 "[ . 1 . 2]" 1
461 1 8 ASN HA 1 9 ASN H 3.200 . 4.400 3.451 3.409 3.511 . 0 0 "[ . 1 . 2]" 1
462 1 12 SER HA 1 16 LYS H 4.400 . 6.000 3.719 3.484 4.014 . 0 0 "[ . 1 . 2]" 1
463 1 14 VAL HA 1 18 LYS H 5.800 . 6.000 4.341 4.154 4.539 . 0 0 "[ . 1 . 2]" 1
464 1 15 ASN HA 1 19 THR H 4.100 . 6.000 4.145 3.908 4.532 . 0 0 "[ . 1 . 2]" 1
465 1 27 ILE HA 1 31 PHE H 4.400 . 6.000 4.151 4.028 4.321 . 0 0 "[ . 1 . 2]" 1
466 1 31 PHE HA 1 32 LEU H 3.400 . 4.900 3.551 3.540 3.560 . 0 0 "[ . 1 . 2]" 1
467 1 34 ILE HA 1 35 LEU H 3.700 . 5.400 3.565 3.557 3.575 . 0 0 "[ . 1 . 2]" 1
468 1 34 ILE HA 1 38 TYR H 4.000 . 6.000 4.566 4.402 5.013 . 0 0 "[ . 1 . 2]" 1
469 1 37 THR HB 1 38 TYR H 2.800 . 3.700 2.665 2.501 2.776 . 0 0 "[ . 1 . 2]" 1
470 1 36 HIS HA 1 37 THR H 3.800 . 5.600 3.536 3.511 3.554 . 0 0 "[ . 1 . 2]" 1
471 1 36 HIS HA 1 39 GLN H 3.500 . 5.000 3.629 3.437 3.797 . 0 0 "[ . 1 . 2]" 1
472 1 51 ARG H 1 51 ARG HB3 2.600 . 3.400 3.352 2.524 3.956 0.556 1 3 "[+ . * -1 . 2]" 1
473 1 51 ARG HB3 1 52 GLY H 3.200 . 4.500 3.974 2.421 4.444 . 0 0 "[ . 1 . 2]" 1
474 1 51 ARG QG 1 52 GLY H 3.300 . 4.600 4.225 3.180 4.736 0.136 2 0 "[ . 1 . 2]" 1
475 1 55 GLU HA 1 59 PHE H 4.500 . 6.000 3.681 3.218 4.082 . 0 0 "[ . 1 . 2]" 1
476 1 55 GLU HA 1 56 GLU H 4.100 . 6.000 3.496 3.474 3.522 . 0 0 "[ . 1 . 2]" 1
477 1 59 PHE HB3 1 60 THR H 2.700 . 3.600 2.710 2.565 2.826 . 0 0 "[ . 1 . 2]" 1
478 1 59 PHE HB2 1 60 THR H 3.100 . 4.300 3.943 3.851 4.017 . 0 0 "[ . 1 . 2]" 1
479 1 58 VAL HA 1 59 PHE H 5.600 . 6.000 3.540 3.527 3.555 . 0 0 "[ . 1 . 2]" 1
480 1 73 LEU HB3 1 74 SER H 2.800 . 3.800 2.804 2.603 3.239 . 0 0 "[ . 1 . 2]" 1
481 1 73 LEU HB2 1 74 SER H 2.500 . 3.300 3.203 2.909 3.792 0.492 20 0 "[ . 1 . 2]" 1
482 1 60 THR H 1 76 PHE QE 3.400 . 4.900 4.882 4.781 4.949 0.049 13 0 "[ . 1 . 2]" 1
483 1 60 THR H 1 60 THR MG 2.900 . 3.900 3.758 3.719 3.773 . 0 0 "[ . 1 . 2]" 1
484 1 66 PHE HB2 1 69 GLN H 4.700 . 6.000 5.167 4.952 5.373 . 0 0 "[ . 1 . 2]" 1
485 1 71 ASP HA 1 72 LEU H 3.100 . 4.300 3.539 3.515 3.561 . 0 0 "[ . 1 . 2]" 1
486 1 72 LEU MD2 1 73 LEU H 5.400 . 6.000 4.673 4.569 4.840 . 0 0 "[ . 1 . 2]" 1
487 1 72 LEU MD1 1 73 LEU H 6.000 . 6.000 4.470 4.253 4.657 . 0 0 "[ . 1 . 2]" 1
488 1 66 PHE QD 1 73 LEU H 4.500 . 6.000 3.294 2.391 3.732 . 0 0 "[ . 1 . 2]" 1
489 1 73 LEU QD 1 74 SER H 3.400 . 4.800 3.911 3.840 3.999 . 0 0 "[ . 1 . 2]" 1
490 1 79 PHE H 1 79 PHE QD 2.600 . 3.400 1.797 1.757 1.888 0.043 1 0 "[ . 1 . 2]" 1
491 1 21 PHE H 1 21 PHE QE 3.500 . 5.000 4.328 4.218 4.486 . 0 0 "[ . 1 . 2]" 1
492 1 8 ASN H 1 11 ILE MD 4.900 . 6.000 5.363 5.113 5.571 . 0 0 "[ . 1 . 2]" 1
493 1 42 GLN HA 1 42 GLN HE21 3.800 . 5.600 4.164 3.193 4.352 . 0 0 "[ . 1 . 2]" 1
494 1 42 GLN QB 1 42 GLN HE21 2.700 . 3.600 1.781 1.721 1.804 0.179 10 0 "[ . 1 . 2]" 1
495 1 42 GLN HA 1 42 GLN HE22 4.000 . 6.000 5.536 4.203 5.715 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLN QB 1 42 GLN HE22 3.300 . 4.600 3.162 3.138 3.311 . 0 0 "[ . 1 . 2]" 1
497 1 64 ASN HA 1 64 ASN HD22 4.000 . 6.000 4.617 4.461 5.335 . 0 0 "[ . 1 . 2]" 1
498 1 61 GLU HA 1 64 ASN HD22 3.400 . 4.800 3.256 1.846 3.685 0.154 19 0 "[ . 1 . 2]" 1
499 1 64 ASN HB2 1 64 ASN HD22 2.700 . 3.600 3.507 3.430 3.902 0.302 13 0 "[ . 1 . 2]" 1
500 1 61 GLU HA 1 64 ASN HD21 3.200 . 4.500 1.881 1.833 2.053 0.067 17 0 "[ . 1 . 2]" 1
501 1 60 THR HA 1 64 ASN HD21 5.200 . 6.000 4.386 4.166 4.564 . 0 0 "[ . 1 . 2]" 1
502 1 57 GLU QG 1 64 ASN HD21 5.800 . 6.000 6.058 5.860 6.170 0.170 17 0 "[ . 1 . 2]" 1
503 1 9 ASN HA 1 9 ASN HD22 3.500 . 5.000 4.348 4.160 4.825 . 0 0 "[ . 1 . 2]" 1
504 1 6 GLU HA 1 9 ASN HD22 3.100 . 4.300 4.343 4.117 4.892 0.592 10 2 "[ . + . - 2]" 1
505 1 9 ASN HB2 1 9 ASN HD22 2.700 . 3.600 3.405 3.369 3.752 0.152 3 0 "[ . 1 . 2]" 1
506 1 9 ASN HB3 1 9 ASN HD22 2.700 . 3.600 3.770 3.412 3.817 0.217 10 0 "[ . 1 . 2]" 1
507 1 6 GLU QG 1 9 ASN HD22 6.000 . 6.000 4.967 4.753 5.704 . 0 0 "[ . 1 . 2]" 1
508 1 5 VAL MG1 1 9 ASN HD22 3.200 . 4.400 4.003 3.404 4.383 . 0 0 "[ . 1 . 2]" 1
509 1 9 ASN HA 1 9 ASN HD21 4.000 . 6.000 3.890 3.784 4.502 . 0 0 "[ . 1 . 2]" 1
510 1 6 GLU HA 1 9 ASN HD21 3.400 . 4.900 3.043 2.424 3.564 . 0 0 "[ . 1 . 2]" 1
511 1 8 ASN QB 1 8 ASN HD21 2.800 . 3.800 2.076 2.064 2.099 . 0 0 "[ . 1 . 2]" 1
512 1 5 VAL HA 1 8 ASN HD22 4.100 . 6.000 4.671 2.188 5.158 . 0 0 "[ . 1 . 2]" 1
513 1 15 ASN H 1 15 ASN HD21 4.400 . 6.000 4.544 4.222 4.779 . 0 0 "[ . 1 . 2]" 1
514 1 12 SER HA 1 15 ASN HD21 5.000 . 6.000 4.428 3.424 4.869 . 0 0 "[ . 1 . 2]" 1
515 1 15 ASN QB 1 15 ASN HD21 2.500 . 3.300 2.090 2.073 2.129 . 0 0 "[ . 1 . 2]" 1
516 1 15 ASN HD21 1 19 THR MG 5.200 . 6.000 5.882 4.828 6.264 0.264 4 0 "[ . 1 . 2]" 1
517 1 11 ILE MG 1 15 ASN HD21 2.900 . 4.000 3.439 2.674 4.100 0.100 6 0 "[ . 1 . 2]" 1
518 1 15 ASN HB3 1 15 ASN HD22 2.700 . 3.600 3.845 3.448 3.962 0.362 15 0 "[ . 1 . 2]" 1
519 1 15 ASN HD22 2 12 LEU QD 3.100 . 4.300 3.436 2.639 4.220 . 0 0 "[ . 1 . 2]" 1
520 1 75 GLU HA 1 78 GLN HE21 3.200 . 4.500 3.392 1.895 4.529 0.029 12 0 "[ . 1 . 2]" 1
521 1 75 GLU HG2 1 78 GLN HE21 4.500 . 6.000 4.858 2.994 5.821 . 0 0 "[ . 1 . 2]" 1
522 1 78 GLN HE21 1 78 GLN QG 2.500 . 3.300 2.255 2.084 2.919 . 0 0 "[ . 1 . 2]" 1
523 1 78 GLN HB2 1 78 GLN HE21 2.900 . 4.000 2.061 1.960 2.090 . 0 0 "[ . 1 . 2]" 1
524 1 75 GLU HA 1 78 GLN HE22 3.600 . 5.200 4.153 2.883 5.231 0.031 13 0 "[ . 1 . 2]" 1
525 1 78 GLN HB2 1 78 GLN HE22 3.400 . 4.800 3.164 3.128 3.206 . 0 0 "[ . 1 . 2]" 1
526 1 69 GLN QE 1 69 GLN QG 2.600 . 3.400 2.279 2.060 2.785 . 0 0 "[ . 1 . 2]" 1
527 1 69 GLN QB 1 69 GLN QE 4.000 . 6.000 2.683 1.532 3.272 0.468 15 0 "[ . 1 . 2]" 1
528 1 39 GLN HE22 1 39 GLN QG 2.600 . 3.400 3.403 3.215 3.521 0.121 11 0 "[ . 1 . 2]" 1
529 1 39 GLN HE22 1 43 LEU QD 4.300 . 6.000 3.992 2.581 4.795 . 0 0 "[ . 1 . 2]" 1
530 1 39 GLN HE22 2 6 LEU QD 5.000 . 6.000 4.188 2.908 4.925 . 0 0 "[ . 1 . 2]" 1
531 1 39 GLN HE21 1 39 GLN QG 2.700 . 3.600 2.576 2.054 2.913 . 0 0 "[ . 1 . 2]" 1
532 1 39 GLN HB3 1 39 GLN HE21 2.900 . 4.000 2.527 1.587 4.155 0.213 20 0 "[ . 1 . 2]" 1
533 1 39 GLN HE21 1 43 LEU QD 5.000 . 6.000 3.748 1.995 4.670 . 0 0 "[ . 1 . 2]" 1
534 1 39 GLN HE21 2 6 LEU QD 4.500 . 6.000 3.630 2.840 4.525 . 0 0 "[ . 1 . 2]" 1
535 1 8 ASN H 1 8 ASN HD22 3.500 . 5.100 4.697 3.630 5.314 0.214 20 0 "[ . 1 . 2]" 1
536 1 8 ASN H 1 8 ASN HD21 3.300 . 4.700 3.669 2.867 4.843 0.143 11 0 "[ . 1 . 2]" 1
537 1 9 ASN H 1 9 ASN HD22 3.900 . 5.800 5.609 5.340 5.680 . 0 0 "[ . 1 . 2]" 1
538 1 9 ASN H 1 9 ASN HD21 3.800 . 5.600 4.398 4.063 4.495 . 0 0 "[ . 1 . 2]" 1
539 1 39 GLN HA 1 39 GLN HE21 3.600 . 5.300 3.336 1.875 4.590 0.025 11 0 "[ . 1 . 2]" 1
540 1 39 GLN HA 1 39 GLN HE22 3.500 . 5.100 4.018 2.959 5.417 0.317 10 0 "[ . 1 . 2]" 1
541 1 39 GLN H 1 42 GLN HE21 4.300 . 6.000 4.804 3.992 6.022 0.022 15 0 "[ . 1 . 2]" 1
542 1 4 SER HA 1 5 VAL H 2.000 . 2.500 2.192 2.144 2.293 . 0 0 "[ . 1 . 2]" 1
543 1 4 SER HA 1 6 GLU H 2.900 . 4.000 4.060 4.008 4.089 0.089 14 0 "[ . 1 . 2]" 1
544 1 4 SER HA 1 4 SER QB 2.000 . 2.500 2.225 2.146 2.369 . 0 0 "[ . 1 . 2]" 1
545 1 4 SER HA 1 7 PHE HB3 3.500 . 5.100 5.039 4.872 5.136 0.036 5 0 "[ . 1 . 2]" 1
546 1 4 SER HA 1 7 PHE HB2 3.700 . 5.400 5.406 5.240 5.450 0.050 10 0 "[ . 1 . 2]" 1
547 1 4 SER HB3 1 7 PHE HB3 4.000 . 6.000 4.713 3.577 5.648 . 0 0 "[ . 1 . 2]" 1
548 1 4 SER HB3 1 7 PHE HB2 3.300 . 4.600 4.285 3.076 5.226 0.626 4 1 "[ +. 1 . 2]" 1
549 1 4 SER HB3 1 5 VAL HB 4.100 . 6.000 5.240 4.732 5.801 . 0 0 "[ . 1 . 2]" 1
550 1 4 SER HB3 1 5 VAL MG2 3.800 . 5.600 5.101 4.662 5.631 0.031 2 0 "[ . 1 . 2]" 1
551 1 4 SER HB2 1 7 PHE HB3 4.700 . 6.000 4.206 2.780 5.790 . 0 0 "[ . 1 . 2]" 1
552 1 4 SER HB2 1 7 PHE HB2 3.700 . 5.400 3.815 2.593 5.375 . 0 0 "[ . 1 . 2]" 1
553 1 4 SER HB2 1 5 VAL HB 3.700 . 5.400 5.245 4.227 6.015 0.615 16 2 "[ . - 1 .+ 2]" 1
554 1 4 SER HA 1 4 SER HB2 2.200 . 2.800 2.704 2.303 2.975 0.175 8 0 "[ . 1 . 2]" 1
555 1 4 SER HB2 1 5 VAL H 2.700 . 3.600 3.473 2.745 3.899 0.299 16 0 "[ . 1 . 2]" 1
556 1 4 SER HB2 1 6 GLU H 3.000 . 4.100 3.399 2.407 4.244 0.144 7 0 "[ . 1 . 2]" 1
557 1 4 SER H 1 4 SER HB3 2.500 . 3.300 3.013 2.283 3.513 0.213 8 0 "[ . 1 . 2]" 1
558 1 4 SER HB3 1 6 GLU H 3.000 . 4.100 3.520 3.068 4.165 0.065 3 0 "[ . 1 . 2]" 1
559 1 5 VAL HA 1 5 VAL HB 2.400 . 3.100 3.021 3.017 3.029 . 0 0 "[ . 1 . 2]" 1
560 1 5 VAL HA 1 5 VAL MG2 2.000 . 2.500 2.319 2.219 2.416 . 0 0 "[ . 1 . 2]" 1
561 1 5 VAL HA 1 5 VAL MG1 2.200 . 2.800 2.477 2.408 2.536 . 0 0 "[ . 1 . 2]" 1
562 1 5 VAL HA 1 8 ASN HD21 3.500 . 5.000 3.304 1.943 5.073 0.073 7 0 "[ . 1 . 2]" 1
563 1 5 VAL H 1 5 VAL HA 2.300 . 3.000 2.796 2.774 2.829 . 0 0 "[ . 1 . 2]" 1
564 1 5 VAL HB 1 5 VAL MG2 2.000 . 2.500 2.104 2.085 2.130 . 0 0 "[ . 1 . 2]" 1
565 1 5 VAL HB 1 6 GLU H 2.500 . 3.300 2.623 2.513 2.747 . 0 0 "[ . 1 . 2]" 1
566 1 5 VAL HB 1 5 VAL MG1 2.000 . 2.500 2.124 2.086 2.138 . 0 0 "[ . 1 . 2]" 1
567 1 5 VAL MG1 1 6 GLU HA 3.100 . 4.300 3.415 3.287 3.543 . 0 0 "[ . 1 . 2]" 1
568 1 5 VAL MG1 1 9 ASN HD21 2.500 . 3.300 2.649 2.031 3.353 0.053 3 0 "[ . 1 . 2]" 1
569 1 5 VAL MG1 1 6 GLU H 2.700 . 3.600 3.416 3.283 3.541 . 0 0 "[ . 1 . 2]" 1
570 1 5 VAL MG2 1 6 GLU H 2.900 . 4.000 3.857 3.808 3.906 . 0 0 "[ . 1 . 2]" 1
571 1 6 GLU H 1 6 GLU HB2 2.200 . 2.800 2.563 2.522 2.625 . 0 0 "[ . 1 . 2]" 1
572 1 6 GLU H 1 6 GLU HG3 2.200 . 2.800 2.054 1.984 2.106 . 0 0 "[ . 1 . 2]" 1
573 1 7 PHE HA 1 7 PHE QD 2.300 . 3.000 2.104 2.044 2.185 . 0 0 "[ . 1 . 2]" 1
574 1 7 PHE HA 1 8 ASN H 2.700 . 3.600 3.576 3.553 3.593 . 0 0 "[ . 1 . 2]" 1
575 1 7 PHE H 1 7 PHE HA 2.600 . 3.400 2.807 2.797 2.837 . 0 0 "[ . 1 . 2]" 1
576 1 7 PHE HA 1 7 PHE HB2 2.600 . 3.400 2.457 2.428 2.482 . 0 0 "[ . 1 . 2]" 1
577 1 7 PHE HA 1 7 PHE HB3 2.500 . 3.300 3.028 3.025 3.031 . 0 0 "[ . 1 . 2]" 1
578 1 7 PHE HA 1 10 ALA MB 2.300 . 3.000 2.996 2.655 3.057 0.057 14 0 "[ . 1 . 2]" 1
579 1 7 PHE HB3 1 7 PHE QD 2.400 . 3.100 2.293 2.277 2.313 . 0 0 "[ . 1 . 2]" 1
580 1 8 ASN HA 1 8 ASN QB 2.400 . 2.800 2.269 2.176 2.384 . 0 0 "[ . 1 . 2]" 1
581 1 8 ASN HA 1 11 ILE HG13 2.700 . 3.600 2.579 2.295 2.874 . 0 0 "[ . 1 . 2]" 1
582 1 8 ASN HA 1 11 ILE MG 2.900 . 4.000 3.900 3.683 4.049 0.049 3 0 "[ . 1 . 2]" 1
583 1 8 ASN HA 1 11 ILE HG12 3.200 . 4.500 2.323 2.013 2.621 . 0 0 "[ . 1 . 2]" 1
584 1 8 ASN HA 1 11 ILE H 2.400 . 3.100 3.128 3.077 3.173 0.073 10 0 "[ . 1 . 2]" 1
585 1 9 ASN HA 1 9 ASN HB2 2.200 . 2.800 2.534 2.402 2.680 . 0 0 "[ . 1 . 2]" 1
586 1 9 ASN HA 1 10 ALA H 3.200 . 4.500 3.525 3.506 3.538 . 0 0 "[ . 1 . 2]" 1
587 1 9 ASN HB2 1 9 ASN HD21 2.700 . 3.600 2.131 2.061 2.925 . 0 0 "[ . 1 . 2]" 1
588 1 9 ASN HA 1 9 ASN HB3 2.600 . 3.500 3.021 2.970 3.029 . 0 0 "[ . 1 . 2]" 1
589 1 9 ASN HB3 1 9 ASN HD21 2.600 . 3.500 2.974 2.132 3.082 . 0 0 "[ . 1 . 2]" 1
590 1 9 ASN HB3 1 10 ALA H 2.600 . 3.400 2.516 2.409 2.712 . 0 0 "[ . 1 . 2]" 1
591 1 10 ALA HA 1 13 TYR HB3 2.900 . 3.900 3.322 3.138 3.444 . 0 0 "[ . 1 . 2]" 1
592 1 10 ALA HA 1 10 ALA MB 2.000 . 2.500 2.100 2.086 2.130 . 0 0 "[ . 1 . 2]" 1
593 1 10 ALA HA 2 5 LEU QD 2.700 . 3.600 2.650 2.138 3.275 . 0 0 "[ . 1 . 2]" 1
594 1 10 ALA MB 2 5 LEU QD 2.400 . 3.100 2.108 1.757 2.637 0.143 19 0 "[ . 1 . 2]" 1
595 1 10 ALA MB 2 5 LEU HA 2.600 . 3.400 2.526 2.059 3.186 . 0 0 "[ . 1 . 2]" 1
596 1 10 ALA H 1 10 ALA MB 2.100 . 2.600 2.084 2.036 2.227 . 0 0 "[ . 1 . 2]" 1
597 1 11 ILE HA 1 14 VAL HB 3.200 . 4.500 3.121 2.984 3.277 . 0 0 "[ . 1 . 2]" 1
598 1 11 ILE HA 2 8 ALA MB 2.100 . 2.600 2.207 1.796 2.510 . 0 0 "[ . 1 . 2]" 1
599 1 11 ILE HA 1 11 ILE HG12 2.500 . 3.300 3.128 3.066 3.186 . 0 0 "[ . 1 . 2]" 1
600 1 11 ILE HA 1 11 ILE MG 2.400 . 3.100 2.285 2.181 2.421 . 0 0 "[ . 1 . 2]" 1
601 1 8 ASN HA 1 11 ILE HB 2.900 . 3.900 2.660 2.480 2.891 . 0 0 "[ . 1 . 2]" 1
602 1 11 ILE HB 1 11 ILE HG12 2.900 . 4.000 2.457 2.444 2.480 . 0 0 "[ . 1 . 2]" 1
603 1 11 ILE HB 1 11 ILE MD 2.900 . 4.000 3.227 3.223 3.232 . 0 0 "[ . 1 . 2]" 1
604 1 11 ILE HG13 1 11 ILE MG 2.300 . 2.900 2.329 2.263 2.430 . 0 0 "[ . 1 . 2]" 1
605 1 11 ILE HB 1 11 ILE MG 2.200 . 2.800 2.097 2.076 2.125 . 0 0 "[ . 1 . 2]" 1
606 1 11 ILE MG 1 15 ASN HB2 2.700 . 3.600 2.823 2.552 3.429 . 0 0 "[ . 1 . 2]" 1
607 1 11 ILE MG 2 11 TYR QE 2.800 . 3.800 2.665 2.177 3.231 . 0 0 "[ . 1 . 2]" 1
608 1 11 ILE MG 2 11 TYR QD 2.700 . 3.600 2.376 1.858 3.223 . 0 0 "[ . 1 . 2]" 1
609 1 11 ILE MG 1 12 SER H 2.600 . 3.500 3.476 3.267 3.568 0.068 10 0 "[ . 1 . 2]" 1
610 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.900 2.078 2.072 2.100 . 0 0 "[ . 1 . 2]" 1
611 1 11 ILE HA 1 11 ILE HG13 3.000 . 4.100 3.769 3.741 3.803 . 0 0 "[ . 1 . 2]" 1
612 1 11 ILE H 1 11 ILE HG12 2.400 . 3.100 1.948 1.869 2.027 . 0 0 "[ . 1 . 2]" 1
613 1 11 ILE MD 1 11 ILE MG 1.900 . 2.300 2.087 1.874 2.203 . 0 0 "[ . 1 . 2]" 1
614 1 11 ILE MD 1 11 ILE HG12 2.100 . 2.700 2.073 2.068 2.093 . 0 0 "[ . 1 . 2]" 1
615 1 11 ILE HA 1 11 ILE MD 2.600 . 3.400 2.011 1.913 2.210 . 0 0 "[ . 1 . 2]" 1
616 1 11 ILE MD 2 8 ALA HA 2.900 . 4.000 2.121 1.928 2.370 . 0 0 "[ . 1 . 2]" 1
617 1 11 ILE MD 2 11 TYR QE 2.600 . 3.500 3.398 3.233 3.522 0.022 17 0 "[ . 1 . 2]" 1
618 1 11 ILE MD 2 11 TYR QD 2.400 . 3.100 1.943 1.694 2.187 0.006 2 0 "[ . 1 . 2]" 1
619 1 11 ILE MD 1 12 SER H 3.500 . 5.000 4.595 4.565 4.648 . 0 0 "[ . 1 . 2]" 1
620 1 11 ILE H 1 11 ILE MD 2.600 . 3.400 3.049 2.908 3.153 . 0 0 "[ . 1 . 2]" 1
621 1 12 SER HA 1 15 ASN HB3 2.400 . 3.100 2.541 2.137 2.879 . 0 0 "[ . 1 . 2]" 1
622 1 13 TYR HA 1 13 TYR QD 2.300 . 2.900 2.172 2.015 2.287 . 0 0 "[ . 1 . 2]" 1
623 1 13 TYR HA 1 13 TYR QE 3.300 . 4.700 4.377 4.289 4.451 . 0 0 "[ . 1 . 2]" 1
624 1 13 TYR HA 1 13 TYR HB2 2.500 . 3.300 2.482 2.446 2.518 . 0 0 "[ . 1 . 2]" 1
625 1 13 TYR HA 1 16 LYS QB 2.700 . 3.600 3.050 2.914 3.225 . 0 0 "[ . 1 . 2]" 1
626 1 14 VAL HA 1 14 VAL HB 2.900 . 4.000 3.022 3.016 3.027 . 0 0 "[ . 1 . 2]" 1
627 1 14 VAL HA 1 17 ILE HB 3.000 . 4.100 2.741 2.649 2.895 . 0 0 "[ . 1 . 2]" 1
628 1 14 VAL HA 1 14 VAL QG 2.000 . 2.500 2.122 2.061 2.179 . 0 0 "[ . 1 . 2]" 1
629 1 14 VAL HA 1 17 ILE MD 2.500 . 3.300 2.415 2.069 2.769 . 0 0 "[ . 1 . 2]" 1
630 1 14 VAL HB 1 14 VAL QG 2.100 . 2.700 1.879 1.859 1.896 . 0 0 "[ . 1 . 2]" 1
631 1 14 VAL HB 2 12 LEU QD 2.900 . 4.000 2.147 1.825 2.630 . 0 0 "[ . 1 . 2]" 1
632 1 14 VAL QG 1 17 ILE MD 3.300 . 3.300 3.169 2.936 3.327 0.027 19 0 "[ . 1 . 2]" 1
633 1 14 VAL QG 2 5 LEU QD 2.300 . 3.000 2.351 1.812 2.889 0.188 2 0 "[ . 1 . 2]" 1
634 1 14 VAL QG 2 9 ALA MB 2.900 . 3.100 2.418 2.082 2.638 . 0 0 "[ . 1 . 2]" 1
635 1 13 TYR HB3 1 14 VAL QG 3.100 . 4.300 2.910 2.745 3.070 . 0 0 "[ . 1 . 2]" 1
636 1 14 VAL QG 2 5 LEU HA 2.600 . 3.400 3.103 2.785 3.430 0.030 5 0 "[ . 1 . 2]" 1
637 1 14 VAL QG 2 9 ALA HA 2.700 . 3.100 2.042 1.672 2.375 0.128 15 0 "[ . 1 . 2]" 1
638 1 14 VAL QG 2 12 LEU QD 2.200 . 2.800 2.075 1.649 2.468 0.151 17 0 "[ . 1 . 2]" 1
639 1 15 ASN HA 2 12 LEU QD 2.400 . 3.100 2.249 2.118 2.470 . 0 0 "[ . 1 . 2]" 1
640 1 15 ASN HA 1 18 LYS QB 2.300 . 3.000 2.829 2.663 3.016 0.016 15 0 "[ . 1 . 2]" 1
641 1 15 ASN HA 1 15 ASN QB 1.900 . 2.300 2.379 2.317 2.440 0.140 4 0 "[ . 1 . 2]" 1
642 1 15 ASN H 1 15 ASN HA 2.500 . 3.300 2.799 2.778 2.818 . 0 0 "[ . 1 . 2]" 1
643 1 15 ASN HB2 2 12 LEU QD 2.500 . 3.300 2.014 1.810 2.183 . 0 0 "[ . 1 . 2]" 1
644 1 15 ASN H 1 15 ASN HB2 2.300 . 3.000 2.412 2.233 2.620 . 0 0 "[ . 1 . 2]" 1
645 1 15 ASN HB3 2 12 LEU QD 2.600 . 3.400 3.364 3.189 3.474 0.074 14 0 "[ . 1 . 2]" 1
646 1 15 ASN H 1 15 ASN HB3 2.300 . 3.000 2.589 2.369 2.768 . 0 0 "[ . 1 . 2]" 1
647 1 16 LYS HA 1 16 LYS QB 2.100 . 2.600 2.371 2.351 2.398 . 0 0 "[ . 1 . 2]" 1
648 1 16 LYS HA 1 16 LYS HG2 2.500 . 3.300 3.030 2.509 3.163 . 0 0 "[ . 1 . 2]" 1
649 1 16 LYS HA 1 16 LYS HG3 2.400 . 3.100 2.644 2.539 3.220 0.120 2 0 "[ . 1 . 2]" 1
650 1 16 LYS H 1 16 LYS HA 2.400 . 3.100 2.793 2.770 2.836 . 0 0 "[ . 1 . 2]" 1
651 1 16 LYS HG2 1 72 LEU MD2 3.000 . 4.100 2.607 1.922 4.401 0.301 2 0 "[ . 1 . 2]" 1
652 1 16 LYS QD 1 16 LYS HG2 2.300 . 3.000 2.290 2.160 2.381 . 0 0 "[ . 1 . 2]" 1
653 1 16 LYS QE 1 16 LYS HG2 3.100 . 4.300 2.786 2.312 3.499 . 0 0 "[ . 1 . 2]" 1
654 1 16 LYS HG3 1 72 LEU MD2 4.100 . 6.000 3.778 3.379 4.215 . 0 0 "[ . 1 . 2]" 1
655 1 16 LYS QB 1 16 LYS HG3 2.300 . 3.000 2.332 2.291 2.350 . 0 0 "[ . 1 . 2]" 1
656 1 16 LYS QE 1 16 LYS HG3 2.700 . 3.600 2.583 2.253 3.515 . 0 0 "[ . 1 . 2]" 1
657 1 16 LYS HD3 1 72 LEU MD2 2.800 . 3.800 2.431 2.162 2.990 . 0 0 "[ . 1 . 2]" 1
658 1 16 LYS QD 1 16 LYS HE2 2.300 . 3.000 2.123 2.108 2.132 . 0 0 "[ . 1 . 2]" 1
659 1 16 LYS QB 1 16 LYS HE2 3.000 . 4.200 3.638 2.046 4.223 0.023 15 0 "[ . 1 . 2]" 1
660 1 16 LYS QD 1 16 LYS HE2 2.300 . 3.000 2.284 2.154 2.372 . 0 0 "[ . 1 . 2]" 1
661 1 16 LYS HE2 1 16 LYS HG3 2.600 . 3.400 3.155 2.341 4.188 0.788 16 2 "[ - . 1 .+ 2]" 1
662 1 16 LYS HE2 1 16 LYS HG2 3.000 . 4.100 3.247 2.483 4.178 0.078 1 0 "[ . 1 . 2]" 1
663 1 16 LYS HE2 1 72 LEU MD2 3.100 . 4.300 3.211 1.895 4.443 0.143 12 0 "[ . 1 . 2]" 1
664 1 16 LYS QB 1 16 LYS HE3 3.100 . 4.300 3.359 1.937 4.219 . 0 0 "[ . 1 . 2]" 1
665 1 16 LYS QD 1 16 LYS HE3 2.200 . 2.800 2.321 2.157 2.411 . 0 0 "[ . 1 . 2]" 1
666 1 16 LYS HE3 1 16 LYS HG3 2.500 . 3.300 2.933 2.279 3.777 0.477 2 0 "[ . 1 . 2]" 1
667 1 16 LYS HE3 1 16 LYS HG2 3.200 . 4.500 3.243 2.341 4.190 . 0 0 "[ . 1 . 2]" 1
668 1 16 LYS HE3 1 72 LEU MD2 3.400 . 4.800 3.454 2.171 4.526 . 0 0 "[ . 1 . 2]" 1
669 1 17 ILE HA 1 20 ARG HB3 3.100 . 4.300 2.597 2.358 2.733 . 0 0 "[ . 1 . 2]" 1
670 1 17 ILE HA 1 17 ILE HG13 2.500 . 3.300 2.914 2.848 2.986 . 0 0 "[ . 1 . 2]" 1
671 1 17 ILE HA 1 17 ILE HG12 2.700 . 3.600 2.493 2.463 2.549 . 0 0 "[ . 1 . 2]" 1
672 1 17 ILE HA 1 72 LEU MD1 2.600 . 3.500 2.467 2.056 3.034 . 0 0 "[ . 1 . 2]" 1
673 1 17 ILE HA 1 17 ILE MD 3.100 . 4.300 3.813 3.799 3.839 . 0 0 "[ . 1 . 2]" 1
674 1 17 ILE HA 1 21 PHE QE 4.300 . 6.000 3.635 2.997 4.263 . 0 0 "[ . 1 . 2]" 1
675 1 17 ILE HA 1 21 PHE QD 3.700 . 5.400 3.227 2.854 3.510 . 0 0 "[ . 1 . 2]" 1
676 1 17 ILE HA 1 20 ARG H 3.500 . 5.000 3.581 3.389 3.675 . 0 0 "[ . 1 . 2]" 1
677 1 17 ILE HA 1 18 LYS H 4.300 . 6.000 3.524 3.502 3.546 . 0 0 "[ . 1 . 2]" 1
678 1 17 ILE HG12 1 17 ILE MG 2.600 . 3.500 2.333 2.270 2.416 . 0 0 "[ . 1 . 2]" 1
679 1 17 ILE HB 1 17 ILE MG 2.400 . 3.100 2.104 2.079 2.128 . 0 0 "[ . 1 . 2]" 1
680 1 17 ILE HA 1 17 ILE MG 2.200 . 2.800 2.469 2.381 2.543 . 0 0 "[ . 1 . 2]" 1
681 1 17 ILE MG 1 66 PHE HZ 2.600 . 3.400 1.976 1.801 2.232 . 0 0 "[ . 1 . 2]" 1
682 1 17 ILE MG 1 21 PHE QD 2.300 . 2.900 2.770 2.400 2.925 0.025 14 0 "[ . 1 . 2]" 1
683 1 17 ILE H 1 17 ILE MG 2.900 . 3.900 3.749 3.741 3.765 . 0 0 "[ . 1 . 2]" 1
684 1 17 ILE MG 1 18 LYS H 3.100 . 4.300 3.368 3.221 3.521 . 0 0 "[ . 1 . 2]" 1
685 1 17 ILE MD 1 17 ILE HG12 2.300 . 2.900 2.096 2.071 2.117 . 0 0 "[ . 1 . 2]" 1
686 1 17 ILE MD 1 17 ILE MG 2.100 . 2.600 2.006 1.790 2.179 . 0 0 "[ . 1 . 2]" 1
687 1 17 ILE MD 1 17 ILE HG13 2.100 . 2.700 2.099 2.073 2.119 . 0 0 "[ . 1 . 2]" 1
688 1 17 ILE HB 1 17 ILE MD 2.300 . 3.000 2.417 2.322 2.476 . 0 0 "[ . 1 . 2]" 1
689 1 17 ILE MD 1 66 PHE HZ 2.500 . 3.300 2.031 1.687 2.577 0.013 18 0 "[ . 1 . 2]" 1
690 1 17 ILE MD 1 66 PHE QE 2.500 . 3.300 2.196 1.973 2.492 . 0 0 "[ . 1 . 2]" 1
691 1 13 TYR QD 1 17 ILE MD 2.400 . 3.100 3.090 2.938 3.148 0.048 12 0 "[ . 1 . 2]" 1
692 1 17 ILE H 1 17 ILE MD 2.800 . 3.800 3.586 3.492 3.643 . 0 0 "[ . 1 . 2]" 1
693 1 18 LYS HA 1 18 LYS QB 2.600 . 3.100 2.378 2.344 2.417 . 0 0 "[ . 1 . 2]" 1
694 1 18 LYS HA 1 18 LYS HG3 2.500 . 3.300 2.624 2.418 3.086 . 0 0 "[ . 1 . 2]" 1
695 1 18 LYS HA 1 18 LYS HG2 2.500 . 3.300 3.010 2.501 3.162 . 0 0 "[ . 1 . 2]" 1
696 1 18 LYS HA 1 28 TYR QE 3.300 . 4.600 4.065 3.670 4.543 . 0 0 "[ . 1 . 2]" 1
697 1 18 LYS HA 1 28 TYR QD 3.000 . 4.100 3.103 2.702 3.549 . 0 0 "[ . 1 . 2]" 1
698 1 18 LYS H 1 18 LYS HA 2.700 . 3.600 2.821 2.801 2.834 . 0 0 "[ . 1 . 2]" 1
699 1 18 LYS QD 1 18 LYS HG3 2.200 . 2.800 2.289 2.175 2.398 . 0 0 "[ . 1 . 2]" 1
700 1 18 LYS QD 1 18 LYS HG2 2.200 . 2.800 2.245 2.171 2.366 . 0 0 "[ . 1 . 2]" 1
701 1 18 LYS QE 1 18 LYS HG3 2.800 . 3.700 2.888 2.379 3.514 . 0 0 "[ . 1 . 2]" 1
702 1 18 LYS HD2 1 18 LYS HG2 2.900 . 3.900 2.462 2.425 2.512 . 0 0 "[ . 1 . 2]" 1
703 1 18 LYS HD2 1 18 LYS HG3 3.000 . 4.100 2.785 2.415 3.021 . 0 0 "[ . 1 . 2]" 1
704 1 18 LYS HD2 2 12 LEU QD 3.500 . 5.100 3.984 2.636 4.854 . 0 0 "[ . 1 . 2]" 1
705 1 18 LYS HD2 1 18 LYS QE 2.500 . 3.300 2.328 2.171 2.417 . 0 0 "[ . 1 . 2]" 1
706 1 18 LYS HD3 2 12 LEU QD 3.500 . 5.000 4.205 2.347 4.883 . 0 0 "[ . 1 . 2]" 1
707 1 18 LYS HD3 1 18 LYS HG3 2.900 . 3.900 2.463 2.429 2.519 . 0 0 "[ . 1 . 2]" 1
708 1 18 LYS HD3 1 18 LYS HG2 3.000 . 4.100 2.656 2.378 3.019 . 0 0 "[ . 1 . 2]" 1
709 1 18 LYS HD3 1 18 LYS QE 2.500 . 3.300 2.267 2.165 2.362 . 0 0 "[ . 1 . 2]" 1
710 1 18 LYS QD 1 18 LYS HE3 2.000 . 2.500 2.127 2.118 2.133 . 0 0 "[ . 1 . 2]" 1
711 1 18 LYS QE 2 12 LEU QD 2.800 . 3.800 2.874 2.424 3.562 . 0 0 "[ . 1 . 2]" 1
712 1 18 LYS QE 1 18 LYS HG2 2.300 . 3.000 3.155 2.399 3.503 0.503 5 2 "[ + 1 . -]" 1
713 1 18 LYS QE 1 28 TYR QD 3.800 . 5.600 4.515 3.617 5.388 . 0 0 "[ . 1 . 2]" 1
714 1 19 THR HA 1 19 THR HB 2.400 . 3.100 2.499 2.478 2.522 . 0 0 "[ . 1 . 2]" 1
715 1 19 THR HA 1 22 LEU HG 2.100 . 2.600 2.008 1.789 2.282 . 0 0 "[ . 1 . 2]" 1
716 1 19 THR HA 1 22 LEU QD 2.300 . 2.900 1.953 1.707 2.134 . 0 0 "[ . 1 . 2]" 1
717 1 19 THR HB 1 19 THR MG 2.000 . 2.500 2.108 2.088 2.132 . 0 0 "[ . 1 . 2]" 1
718 1 19 THR H 1 19 THR HB 2.300 . 2.900 2.499 2.432 2.598 . 0 0 "[ . 1 . 2]" 1
719 1 19 THR H 1 19 THR MG 2.300 . 2.900 2.318 2.096 2.449 . 0 0 "[ . 1 . 2]" 1
720 1 20 ARG HA 1 20 ARG QD 2.200 . 2.800 2.074 1.954 2.182 . 0 0 "[ . 1 . 2]" 1
721 1 20 ARG HA 1 20 ARG HB3 2.600 . 3.400 3.021 3.013 3.025 . 0 0 "[ . 1 . 2]" 1
722 1 20 ARG HA 1 20 ARG HB2 2.500 . 3.300 2.405 2.373 2.452 . 0 0 "[ . 1 . 2]" 1
723 1 20 ARG HA 1 20 ARG HG2 3.000 . 4.100 3.777 3.729 3.821 . 0 0 "[ . 1 . 2]" 1
724 1 20 ARG HA 1 20 ARG HG3 2.900 . 4.000 3.303 3.226 3.373 . 0 0 "[ . 1 . 2]" 1
725 1 21 PHE HB3 1 21 PHE QD 2.400 . 3.100 2.313 2.273 2.346 . 0 0 "[ . 1 . 2]" 1
726 1 21 PHE HB2 1 21 PHE QD 2.500 . 3.300 2.477 2.429 2.551 . 0 0 "[ . 1 . 2]" 1
727 1 22 LEU HA 1 22 LEU MD2 2.000 . 2.500 2.014 1.805 2.177 . 0 0 "[ . 1 . 2]" 1
728 1 40 LYS H 1 40 LYS HA 2.400 . 3.100 2.765 2.720 2.807 . 0 0 "[ . 1 . 2]" 1
729 1 22 LEU HB3 1 22 LEU MD1 2.100 . 2.700 2.399 2.291 2.477 . 0 0 "[ . 1 . 2]" 1
730 1 22 LEU HA 1 22 LEU HB3 2.400 . 3.100 2.550 2.523 2.582 . 0 0 "[ . 1 . 2]" 1
731 1 22 LEU HA 1 22 LEU HB2 2.300 . 3.000 3.009 2.998 3.014 0.014 5 0 "[ . 1 . 2]" 1
732 1 22 LEU QD 1 22 LEU HG 2.200 . 2.800 1.877 1.856 1.895 . 0 0 "[ . 1 . 2]" 1
733 1 22 LEU HB2 1 22 LEU QD 2.100 . 2.600 2.223 2.147 2.303 . 0 0 "[ . 1 . 2]" 1
734 1 22 LEU HB3 1 22 LEU HG 2.800 . 3.800 3.018 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
735 1 22 LEU HA 1 22 LEU HG 3.300 . 4.700 2.956 2.892 3.014 . 0 0 "[ . 1 . 2]" 1
736 1 22 LEU H 1 22 LEU HG 2.700 . 3.600 2.443 2.359 2.614 . 0 0 "[ . 1 . 2]" 1
737 1 20 ARG HB3 1 20 ARG HG2 2.400 . 3.100 2.469 2.446 2.496 . 0 0 "[ . 1 . 2]" 1
738 1 19 THR HA 1 22 LEU MD2 2.500 . 3.300 2.037 1.727 2.350 . 0 0 "[ . 1 . 2]" 1
739 1 20 ARG HG2 1 21 PHE H 2.600 . 3.400 3.401 3.234 3.555 0.155 1 0 "[ . 1 . 2]" 1
740 1 23 ASP HA 1 25 PRO HD2 4.000 . 6.000 4.573 4.446 4.625 . 0 0 "[ . 1 . 2]" 1
741 1 23 ASP HA 1 25 PRO HD3 3.400 . 4.800 3.644 3.383 3.744 . 0 0 "[ . 1 . 2]" 1
742 1 23 ASP HA 1 23 ASP QB 1.900 . 2.300 2.352 2.334 2.372 0.072 12 0 "[ . 1 . 2]" 1
743 1 23 ASP HA 1 23 ASP HB3 2.300 . 3.000 2.822 2.449 3.023 0.023 1 0 "[ . 1 . 2]" 1
744 1 23 ASP HA 1 23 ASP HB2 2.300 . 3.000 2.652 2.429 3.023 0.023 6 0 "[ . 1 . 2]" 1
745 1 23 ASP H 1 23 ASP HB2 2.700 . 3.600 2.573 2.483 2.681 . 0 0 "[ . 1 . 2]" 1
746 1 23 ASP H 1 23 ASP HB3 2.700 . 3.600 2.877 2.442 3.609 0.009 13 0 "[ . 1 . 2]" 1
747 1 24 HIS HA 1 25 PRO HD2 2.100 . 2.700 2.036 1.978 2.145 . 0 0 "[ . 1 . 2]" 1
748 1 24 HIS HA 1 24 HIS HB2 2.800 . 3.800 3.005 2.707 3.027 . 0 0 "[ . 1 . 2]" 1
749 1 24 HIS HA 1 27 ILE MD 3.300 . 4.700 4.600 4.003 4.771 0.071 16 0 "[ . 1 . 2]" 1
750 1 24 HIS HB3 1 27 ILE HG13 3.400 . 4.800 2.556 2.037 3.628 . 0 0 "[ . 1 . 2]" 1
751 1 24 HIS HA 1 24 HIS HB3 2.800 . 3.800 2.455 2.256 2.493 . 0 0 "[ . 1 . 2]" 1
752 1 25 PRO HA 1 25 PRO HB3 2.100 . 2.600 2.275 2.265 2.288 . 0 0 "[ . 1 . 2]" 1
753 1 25 PRO HA 1 25 PRO HB2 2.100 . 2.600 2.729 2.706 2.744 0.144 10 0 "[ . 1 . 2]" 1
754 1 25 PRO HA 1 25 PRO HD3 3.900 . 5.800 3.430 3.370 3.535 . 0 0 "[ . 1 . 2]" 1
755 1 25 PRO HA 1 25 PRO HD2 4.100 . 6.000 4.080 4.068 4.096 . 0 0 "[ . 1 . 2]" 1
756 1 25 PRO HA 1 28 TYR H 3.000 . 4.100 3.383 3.265 3.518 . 0 0 "[ . 1 . 2]" 1
757 1 25 PRO HA 1 27 ILE H 3.100 . 4.300 3.947 3.827 4.094 . 0 0 "[ . 1 . 2]" 1
758 1 25 PRO HB3 1 25 PRO HD3 3.200 . 4.500 2.897 2.866 2.925 . 0 0 "[ . 1 . 2]" 1
759 1 25 PRO HB3 1 25 PRO HD2 3.300 . 4.700 3.863 3.850 3.872 . 0 0 "[ . 1 . 2]" 1
760 1 25 PRO HB2 1 25 PRO HD2 4.200 . 6.000 4.068 4.061 4.079 . 0 0 "[ . 1 . 2]" 1
761 1 25 PRO HD3 1 25 PRO HG2 2.800 . 3.800 3.000 2.993 3.003 . 0 0 "[ . 1 . 2]" 1
762 1 25 PRO HD3 1 25 PRO HG3 2.600 . 3.400 2.327 2.315 2.335 . 0 0 "[ . 1 . 2]" 1
763 1 25 PRO HD3 1 25 PRO QG 2.100 . 2.600 2.252 2.242 2.258 . 0 0 "[ . 1 . 2]" 1
764 1 25 PRO HB2 1 25 PRO HD3 3.000 . 4.100 3.861 3.845 3.886 . 0 0 "[ . 1 . 2]" 1
765 1 24 HIS HA 1 25 PRO HD3 2.500 . 3.300 3.069 3.048 3.087 . 0 0 "[ . 1 . 2]" 1
766 1 24 HIS H 1 25 PRO HD3 2.900 . 3.900 3.737 3.519 3.839 . 0 0 "[ . 1 . 2]" 1
767 1 25 PRO HG3 1 26 GLU H 3.600 . 5.200 3.915 3.828 4.013 . 0 0 "[ . 1 . 2]" 1
768 1 26 GLU HA 1 26 GLU HB3 2.700 . 3.600 2.428 2.410 2.444 . 0 0 "[ . 1 . 2]" 1
769 1 26 GLU H 1 26 GLU HB3 3.100 . 4.300 2.523 2.509 2.564 . 0 0 "[ . 1 . 2]" 1
770 1 26 GLU HA 1 26 GLU HB2 2.700 . 3.600 2.465 2.448 2.478 . 0 0 "[ . 1 . 2]" 1
771 1 26 GLU H 1 26 GLU HB2 2.700 . 3.600 3.592 3.587 3.606 0.006 20 0 "[ . 1 . 2]" 1
772 1 26 GLU HA 1 26 GLU HG3 3.100 . 4.300 3.808 3.752 4.239 . 0 0 "[ . 1 . 2]" 1
773 1 26 GLU HB3 1 26 GLU HG2 2.300 . 2.900 2.495 2.435 2.982 0.082 12 0 "[ . 1 . 2]" 1
774 1 27 ILE HA 1 27 ILE HB 2.400 . 3.100 2.908 2.894 2.915 . 0 0 "[ . 1 . 2]" 1
775 1 27 ILE HA 1 27 ILE HG12 2.600 . 3.500 3.148 2.957 3.281 . 0 0 "[ . 1 . 2]" 1
776 1 27 ILE HA 1 27 ILE MD 2.200 . 2.800 2.281 2.096 2.563 . 0 0 "[ . 1 . 2]" 1
777 1 27 ILE HA 1 27 ILE MG 2.300 . 3.000 2.188 2.095 2.292 . 0 0 "[ . 1 . 2]" 1
778 1 27 ILE HA 1 28 TYR H 3.500 . 5.100 3.547 3.523 3.561 . 0 0 "[ . 1 . 2]" 1
779 1 27 ILE HB 1 27 ILE MD 3.100 . 4.300 3.229 3.194 3.241 . 0 0 "[ . 1 . 2]" 1
780 1 27 ILE MD 1 27 ILE MG 1.900 . 2.300 2.002 1.911 2.075 . 0 0 "[ . 1 . 2]" 1
781 1 27 ILE HG12 1 27 ILE MG 2.600 . 3.400 3.190 3.165 3.204 . 0 0 "[ . 1 . 2]" 1
782 1 27 ILE HB 1 27 ILE MG 1.900 . 2.300 1.991 1.963 2.043 . 0 0 "[ . 1 . 2]" 1
783 1 27 ILE MG 1 66 PHE QE 2.200 . 2.800 2.285 1.963 2.739 . 0 0 "[ . 1 . 2]" 1
784 1 21 PHE QE 1 27 ILE MG 2.400 . 3.100 2.788 2.034 3.024 . 0 0 "[ . 1 . 2]" 1
785 1 21 PHE QD 1 27 ILE MG 2.800 . 3.800 2.929 2.422 3.300 . 0 0 "[ . 1 . 2]" 1
786 1 27 ILE MD 1 27 ILE HG12 2.300 . 3.000 2.089 2.077 2.108 . 0 0 "[ . 1 . 2]" 1
787 1 27 ILE HG13 1 27 ILE MG 2.900 . 3.900 2.464 2.392 2.646 . 0 0 "[ . 1 . 2]" 1
788 1 27 ILE HA 1 27 ILE HG13 3.100 . 4.300 3.890 3.817 3.979 . 0 0 "[ . 1 . 2]" 1
789 1 27 ILE MD 1 27 ILE HG13 2.000 . 2.500 2.095 2.082 2.112 . 0 0 "[ . 1 . 2]" 1
790 1 24 HIS HB2 1 27 ILE MD 2.600 . 3.400 3.384 2.565 3.446 0.046 12 0 "[ . 1 . 2]" 1
791 1 24 HIS HB3 1 27 ILE MD 2.600 . 3.400 2.592 2.159 3.389 . 0 0 "[ . 1 . 2]" 1
792 1 27 ILE MD 1 65 LEU HA 3.500 . 5.100 4.461 4.057 4.927 . 0 0 "[ . 1 . 2]" 1
793 1 21 PHE QE 1 27 ILE MD 2.400 . 3.100 3.164 3.123 3.202 0.102 15 0 "[ . 1 . 2]" 1
794 1 21 PHE QD 1 27 ILE MD 2.400 . 3.100 3.082 2.994 3.157 0.057 14 0 "[ . 1 . 2]" 1
795 1 27 ILE H 1 27 ILE MD 2.700 . 3.600 3.023 2.732 3.307 . 0 0 "[ . 1 . 2]" 1
796 1 28 TYR HA 1 31 PHE HB2 3.000 . 4.100 3.898 3.563 4.124 0.024 1 0 "[ . 1 . 2]" 1
797 1 28 TYR HA 1 28 TYR HB2 2.400 . 3.100 2.475 2.436 2.537 . 0 0 "[ . 1 . 2]" 1
798 1 28 TYR HA 1 28 TYR HB3 2.300 . 2.900 3.013 3.010 3.022 0.122 2 0 "[ . 1 . 2]" 1
799 1 17 ILE MG 1 28 TYR HA 2.700 . 3.600 2.883 2.446 3.152 . 0 0 "[ . 1 . 2]" 1
800 1 28 TYR H 1 28 TYR HA 2.500 . 3.300 2.783 2.756 2.807 . 0 0 "[ . 1 . 2]" 1
801 1 28 TYR HA 1 28 TYR QD 2.300 . 3.000 2.391 2.080 2.581 . 0 0 "[ . 1 . 2]" 1
802 1 28 TYR HA 1 31 PHE H 3.400 . 4.900 3.836 3.650 4.003 . 0 0 "[ . 1 . 2]" 1
803 1 28 TYR HB2 1 29 ARG H 2.800 . 3.700 3.706 3.454 3.775 0.075 11 0 "[ . 1 . 2]" 1
804 1 29 ARG HA 1 29 ARG QD 2.600 . 3.500 2.193 1.938 3.157 . 0 0 "[ . 1 . 2]" 1
805 1 29 ARG HA 1 29 ARG QB 2.000 . 2.500 2.396 2.365 2.434 . 0 0 "[ . 1 . 2]" 1
806 1 29 ARG HA 1 29 ARG HG2 2.300 . 3.000 3.058 2.758 3.695 0.695 17 3 "[ .* -1 . + 2]" 1
807 1 29 ARG HA 1 32 LEU HG 3.300 . 4.700 3.249 2.837 3.739 . 0 0 "[ . 1 . 2]" 1
808 1 29 ARG HA 1 32 LEU HB3 3.300 . 4.700 4.653 4.430 4.736 0.036 1 0 "[ . 1 . 2]" 1
809 1 29 ARG HA 1 32 LEU MD1 2.500 . 3.300 2.733 2.332 3.276 . 0 0 "[ . 1 . 2]" 1
810 1 29 ARG HA 1 32 LEU H 3.200 . 4.500 3.696 3.544 3.941 . 0 0 "[ . 1 . 2]" 1
811 1 29 ARG H 1 29 ARG HA 2.500 . 3.300 2.773 2.737 2.790 . 0 0 "[ . 1 . 2]" 1
812 1 29 ARG HB2 1 29 ARG QD 2.900 . 4.000 3.245 2.475 3.508 . 0 0 "[ . 1 . 2]" 1
813 1 29 ARG HA 1 29 ARG HB2 2.700 . 3.600 3.015 3.003 3.020 . 0 0 "[ . 1 . 2]" 1
814 1 29 ARG HB3 1 29 ARG QD 2.800 . 3.800 2.658 2.260 3.318 . 0 0 "[ . 1 . 2]" 1
815 1 29 ARG QD 1 29 ARG HG2 2.200 . 2.800 2.295 2.167 2.398 . 0 0 "[ . 1 . 2]" 1
816 1 29 ARG H 1 29 ARG HG2 2.800 . 3.800 2.402 2.056 3.675 . 0 0 "[ . 1 . 2]" 1
817 1 29 ARG QD 1 29 ARG HG3 2.500 . 3.300 2.333 2.168 2.395 . 0 0 "[ . 1 . 2]" 1
818 1 29 ARG HD2 1 29 ARG HG2 2.400 . 3.100 2.793 2.417 3.017 . 0 0 "[ . 1 . 2]" 1
819 1 29 ARG HA 1 29 ARG HD2 2.800 . 3.800 2.749 2.016 3.897 0.097 1 0 "[ . 1 . 2]" 1
820 1 29 ARG HB3 1 29 ARG QD 2.300 . 2.900 2.166 1.970 2.316 . 0 0 "[ . 1 . 2]" 1
821 1 29 ARG HD3 1 29 ARG HG2 2.500 . 3.300 2.494 2.370 3.015 . 0 0 "[ . 1 . 2]" 1
822 1 29 ARG HA 1 29 ARG HD3 2.900 . 4.000 2.889 1.961 3.737 . 0 0 "[ . 1 . 2]" 1
823 1 30 SER HA 1 65 LEU QD 3.400 . 4.800 3.732 3.604 3.924 . 0 0 "[ . 1 . 2]" 1
824 1 30 SER HA 1 30 SER QB 2.300 . 3.000 2.336 2.183 2.377 . 0 0 "[ . 1 . 2]" 1
825 1 30 SER HA 1 31 PHE H 2.900 . 4.000 3.566 3.546 3.582 . 0 0 "[ . 1 . 2]" 1
826 1 30 SER QB 1 65 LEU MD1 2.400 . 3.100 1.909 1.686 2.484 0.014 8 0 "[ . 1 . 2]" 1
827 1 30 SER QB 1 31 PHE H 3.400 . 4.800 2.519 2.281 3.237 . 0 0 "[ . 1 . 2]" 1
828 1 31 PHE HA 1 31 PHE QD 2.400 . 3.100 2.528 2.458 2.613 . 0 0 "[ . 1 . 2]" 1
829 1 31 PHE H 1 31 PHE HA 2.500 . 3.300 2.761 2.743 2.779 . 0 0 "[ . 1 . 2]" 1
830 1 31 PHE HA 1 31 PHE HB3 2.500 . 3.300 3.022 3.019 3.025 . 0 0 "[ . 1 . 2]" 1
831 1 31 PHE HA 1 65 LEU MD1 2.000 . 2.500 2.332 2.192 2.409 . 0 0 "[ . 1 . 2]" 1
832 1 31 PHE HB3 1 65 LEU MD1 2.700 . 3.600 3.519 3.399 3.623 0.023 16 0 "[ . 1 . 2]" 1
833 1 31 PHE HB3 1 31 PHE QD 2.700 . 3.600 2.269 2.257 2.280 . 0 0 "[ . 1 . 2]" 1
834 1 31 PHE HB2 1 31 PHE QD 2.600 . 3.400 2.583 2.546 2.622 . 0 0 "[ . 1 . 2]" 1
835 1 32 LEU H 1 32 LEU HA 3.000 . 4.100 2.797 2.785 2.815 . 0 0 "[ . 1 . 2]" 1
836 1 32 LEU HA 1 32 LEU HB2 2.400 . 3.100 3.015 3.011 3.018 . 0 0 "[ . 1 . 2]" 1
837 1 32 LEU HA 1 32 LEU HG 2.600 . 3.500 3.228 3.102 3.333 . 0 0 "[ . 1 . 2]" 1
838 1 32 LEU HA 1 32 LEU HB3 2.300 . 3.000 2.433 2.404 2.480 . 0 0 "[ . 1 . 2]" 1
839 1 32 LEU HA 1 32 LEU MD2 2.000 . 2.500 2.029 1.845 2.172 . 0 0 "[ . 1 . 2]" 1
840 1 32 LEU HA 1 35 LEU QD 2.600 . 3.400 3.054 2.783 3.326 . 0 0 "[ . 1 . 2]" 1
841 1 32 LEU HB3 1 32 LEU MD1 2.300 . 3.000 2.306 2.199 2.424 . 0 0 "[ . 1 . 2]" 1
842 1 32 LEU HB2 1 32 LEU HG 2.900 . 4.000 2.434 2.400 2.471 . 0 0 "[ . 1 . 2]" 1
843 1 32 LEU HB2 1 32 LEU QD 2.300 . 3.000 2.294 2.204 2.399 . 0 0 "[ . 1 . 2]" 1
844 1 32 LEU QD 1 32 LEU HG 2.100 . 2.600 1.865 1.852 1.880 . 0 0 "[ . 1 . 2]" 1
845 1 32 LEU HB3 1 32 LEU HG 2.900 . 4.000 3.017 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
846 1 32 LEU HB3 1 32 LEU MD2 2.100 . 2.600 2.359 2.283 2.453 . 0 0 "[ . 1 . 2]" 1
847 1 32 LEU MD2 1 32 LEU HG 2.200 . 2.800 2.094 2.078 2.123 . 0 0 "[ . 1 . 2]" 1
848 1 32 LEU MD2 2 9 ALA MB 2.100 . 2.700 1.778 1.534 1.932 . 0 0 "[ . 1 . 2]" 1
849 1 32 LEU HB2 1 32 LEU MD2 2.400 . 3.100 3.179 3.172 3.189 0.089 17 0 "[ . 1 . 2]" 1
850 1 32 LEU MD2 2 6 LEU HA 3.300 . 4.700 4.090 3.770 4.428 . 0 0 "[ . 1 . 2]" 1
851 1 31 PHE QD 1 32 LEU MD2 2.200 . 2.800 2.087 1.743 2.506 . 0 0 "[ . 1 . 2]" 1
852 1 32 LEU H 1 32 LEU MD2 2.900 . 3.900 2.997 2.706 3.268 . 0 0 "[ . 1 . 2]" 1
853 1 32 LEU MD2 1 33 GLU H 3.600 . 5.200 4.547 4.468 4.657 . 0 0 "[ . 1 . 2]" 1
854 1 32 LEU MD1 1 32 LEU HG 2.100 . 2.600 2.094 2.076 2.123 . 0 0 "[ . 1 . 2]" 1
855 1 32 LEU MD1 2 9 ALA MB 2.300 . 3.000 2.453 1.891 2.905 . 0 0 "[ . 1 . 2]" 1
856 1 32 LEU HB2 1 32 LEU MD1 2.200 . 2.800 2.354 2.248 2.480 . 0 0 "[ . 1 . 2]" 1
857 1 32 LEU HA 1 32 LEU MD1 3.200 . 4.500 3.843 3.806 3.875 . 0 0 "[ . 1 . 2]" 1
858 1 32 LEU H 1 32 LEU MD1 3.000 . 4.100 3.615 3.556 3.689 . 0 0 "[ . 1 . 2]" 1
859 1 32 LEU MD1 1 33 GLU H 3.800 . 5.600 4.512 4.303 4.691 . 0 0 "[ . 1 . 2]" 1
860 1 34 ILE HA 1 37 THR HB 2.700 . 3.600 3.050 2.850 3.212 . 0 0 "[ . 1 . 2]" 1
861 1 34 ILE H 1 34 ILE HA 2.500 . 3.300 2.813 2.800 2.839 . 0 0 "[ . 1 . 2]" 1
862 1 34 ILE HA 1 53 MET ME 3.100 . 4.300 3.731 3.090 4.098 . 0 0 "[ . 1 . 2]" 1
863 1 34 ILE HA 1 34 ILE HB 2.200 . 2.800 2.373 2.353 2.400 . 0 0 "[ . 1 . 2]" 1
864 1 34 ILE HA 1 37 THR MG 3.300 . 4.600 4.282 4.086 4.457 . 0 0 "[ . 1 . 2]" 1
865 1 34 ILE HA 1 34 ILE HG13 2.400 . 3.100 2.969 2.877 3.070 . 0 0 "[ . 1 . 2]" 1
866 1 34 ILE HA 1 34 ILE MG 2.100 . 2.600 2.377 2.294 2.480 . 0 0 "[ . 1 . 2]" 1
867 1 34 ILE HB 1 34 ILE HG13 2.800 . 3.800 2.470 2.447 2.496 . 0 0 "[ . 1 . 2]" 1
868 1 34 ILE HB 1 34 ILE MG 2.000 . 2.500 2.112 2.086 2.132 . 0 0 "[ . 1 . 2]" 1
869 1 34 ILE HB 1 35 LEU H 3.000 . 4.100 2.240 2.144 2.409 . 0 0 "[ . 1 . 2]" 1
870 1 34 ILE H 1 34 ILE HB 2.500 . 3.300 2.509 2.455 2.581 . 0 0 "[ . 1 . 2]" 1
871 1 34 ILE MG 1 62 VAL MG2 2.000 . 2.500 1.908 1.517 2.204 . 0 0 "[ . 1 . 2]" 1
872 1 34 ILE HG13 1 34 ILE MG 2.500 . 3.300 3.200 3.189 3.208 . 0 0 "[ . 1 . 2]" 1
873 1 34 ILE MG 1 61 GLU QB 2.100 . 2.700 1.694 1.494 1.865 0.006 4 0 "[ . 1 . 2]" 1
874 1 34 ILE MG 1 57 GLU QG 2.900 . 4.000 4.000 3.835 4.052 0.052 11 0 "[ . 1 . 2]" 1
875 1 34 ILE MG 1 58 VAL HA 2.600 . 3.500 2.294 2.091 2.644 . 0 0 "[ . 1 . 2]" 1
876 1 34 ILE MG 1 76 PHE QE 3.700 . 5.400 4.405 4.270 4.625 . 0 0 "[ . 1 . 2]" 1
877 1 34 ILE MG 1 35 LEU H 2.700 . 3.600 3.110 2.954 3.261 . 0 0 "[ . 1 . 2]" 1
878 1 34 ILE MG 1 62 VAL H 3.400 . 4.800 2.775 2.485 3.074 . 0 0 "[ . 1 . 2]" 1
879 1 34 ILE MD 1 34 ILE HG13 2.100 . 2.600 2.074 2.040 2.085 . 0 0 "[ . 1 . 2]" 1
880 1 34 ILE H 1 34 ILE HG13 2.900 . 4.000 2.099 1.949 2.253 . 0 0 "[ . 1 . 2]" 1
881 1 34 ILE MD 1 34 ILE HG12 2.200 . 2.800 2.098 2.063 2.110 . 0 0 "[ . 1 . 2]" 1
882 1 34 ILE HG12 1 61 GLU QB 2.600 . 3.500 2.270 1.971 3.024 . 0 0 "[ . 1 . 2]" 1
883 1 34 ILE HA 1 34 ILE HG12 3.100 . 4.300 2.483 2.455 2.522 . 0 0 "[ . 1 . 2]" 1
884 1 34 ILE H 1 34 ILE HG12 2.700 . 3.600 3.367 3.194 3.556 . 0 0 "[ . 1 . 2]" 1
885 1 34 ILE MD 1 62 VAL MG2 2.200 . 2.800 1.993 1.597 2.284 0.003 4 0 "[ . 1 . 2]" 1
886 1 34 ILE MD 1 34 ILE HG13 2.200 . 2.800 2.100 2.064 2.112 . 0 0 "[ . 1 . 2]" 1
887 1 34 ILE HB 1 34 ILE MD 1.900 . 2.400 1.973 1.939 1.990 . 0 0 "[ . 1 . 2]" 1
888 1 34 ILE MD 1 61 GLU HB3 2.100 . 2.700 2.137 1.867 2.617 . 0 0 "[ . 1 . 2]" 1
889 1 34 ILE MD 1 62 VAL HA 2.600 . 3.400 2.222 2.045 2.351 . 0 0 "[ . 1 . 2]" 1
890 1 34 ILE HA 1 34 ILE MD 2.700 . 3.600 3.788 3.779 3.801 0.201 8 0 "[ . 1 . 2]" 1
891 1 31 PHE HA 1 34 ILE MD 2.300 . 3.000 1.868 1.604 2.132 . 0 0 "[ . 1 . 2]" 1
892 1 34 ILE MD 1 61 GLU HA 2.800 . 3.800 3.537 3.397 3.756 . 0 0 "[ . 1 . 2]" 1
893 1 31 PHE QD 1 34 ILE MD 3.000 . 4.100 2.706 2.464 3.074 . 0 0 "[ . 1 . 2]" 1
894 1 34 ILE MD 1 35 LEU H 3.600 . 5.200 4.279 4.180 4.424 . 0 0 "[ . 1 . 2]" 1
895 1 34 ILE MD 1 62 VAL H 3.400 . 4.800 2.676 2.572 2.839 . 0 0 "[ . 1 . 2]" 1
896 1 35 LEU HA 1 38 TYR QB 2.700 . 3.600 2.789 2.522 3.244 . 0 0 "[ . 1 . 2]" 1
897 1 35 LEU HA 1 35 LEU HB3 3.000 . 4.100 2.479 2.452 2.510 . 0 0 "[ . 1 . 2]" 1
898 1 35 LEU HA 1 35 LEU HG 3.100 . 4.300 3.042 2.975 3.096 . 0 0 "[ . 1 . 2]" 1
899 1 35 LEU HA 1 35 LEU HB2 2.800 . 3.800 3.026 3.020 3.029 . 0 0 "[ . 1 . 2]" 1
900 1 35 LEU HA 2 2 ILE MG 3.200 . 4.500 3.214 2.913 3.605 . 0 0 "[ . 1 . 2]" 1
901 1 35 LEU HA 1 58 VAL QG 2.900 . 4.000 2.580 2.333 2.988 . 0 0 "[ . 1 . 2]" 1
902 1 35 LEU HA 1 35 LEU QD 2.100 . 2.700 2.062 1.947 2.148 . 0 0 "[ . 1 . 2]" 1
903 1 35 LEU HA 1 38 TYR H 3.600 . 5.200 3.466 3.326 3.666 . 0 0 "[ . 1 . 2]" 1
904 1 35 LEU HB2 2 2 ILE MG 3.400 . 4.800 4.178 3.839 4.537 . 0 0 "[ . 1 . 2]" 1
905 1 35 LEU HB2 1 35 LEU QD 2.500 . 3.300 2.227 2.091 2.304 . 0 0 "[ . 1 . 2]" 1
906 1 35 LEU H 1 35 LEU HB2 4.300 . 6.000 2.505 2.449 2.563 . 0 0 "[ . 1 . 2]" 1
907 1 35 LEU QD 1 35 LEU HG 2.100 . 2.700 1.868 1.857 1.880 . 0 0 "[ . 1 . 2]" 1
908 1 35 LEU QD 1 58 VAL MG1 1.900 . 2.400 2.057 1.885 2.332 . 0 0 "[ . 1 . 2]" 1
909 1 35 LEU QD 2 2 ILE MG 2.200 . 2.800 1.881 1.648 2.211 0.152 6 0 "[ . 1 . 2]" 1
910 1 35 LEU HB3 1 35 LEU QD 2.400 . 3.100 2.094 2.060 2.144 . 0 0 "[ . 1 . 2]" 1
911 1 35 LEU QD 1 38 TYR QB 3.400 . 4.800 3.641 3.446 3.958 . 0 0 "[ . 1 . 2]" 1
912 1 35 LEU QD 1 76 PHE HZ 2.200 . 2.800 2.783 2.649 2.845 0.045 3 0 "[ . 1 . 2]" 1
913 1 35 LEU QD 1 76 PHE QE 2.300 . 3.000 2.596 2.293 2.770 . 0 0 "[ . 1 . 2]" 1
914 1 35 LEU MD1 1 35 LEU MD2 2.000 . 2.500 1.969 1.856 2.059 . 0 0 "[ . 1 . 2]" 1
915 1 35 LEU H 1 35 LEU QD 2.700 . 3.600 3.093 3.048 3.156 . 0 0 "[ . 1 . 2]" 1
916 1 36 HIS HA 1 36 HIS QB 2.200 . 2.800 2.527 2.499 2.544 . 0 0 "[ . 1 . 2]" 1
917 1 36 HIS HA 1 39 GLN QG 3.300 . 4.700 3.824 3.096 4.544 . 0 0 "[ . 1 . 2]" 1
918 1 36 HIS HA 1 39 GLN QB 2.600 . 3.400 3.108 2.630 3.419 0.019 4 0 "[ . 1 . 2]" 1
919 1 36 HIS HA 2 6 LEU QD 2.500 . 3.300 2.099 1.723 2.455 0.177 13 0 "[ . 1 . 2]" 1
920 1 36 HIS HA 1 36 HIS HB3 2.600 . 3.400 2.773 2.687 2.873 . 0 0 "[ . 1 . 2]" 1
921 1 36 HIS HB3 1 37 THR H 3.800 . 5.600 3.064 2.867 3.273 . 0 0 "[ . 1 . 2]" 1
922 1 36 HIS H 1 36 HIS HB3 2.700 . 3.600 3.379 3.259 3.478 . 0 0 "[ . 1 . 2]" 1
923 1 33 GLU HA 1 36 HIS HB2 2.800 . 3.800 1.967 1.788 2.273 0.012 9 0 "[ . 1 . 2]" 1
924 1 36 HIS HA 1 36 HIS HB2 2.800 . 3.800 2.919 2.840 2.974 . 0 0 "[ . 1 . 2]" 1
925 1 36 HIS HB2 1 37 THR H 3.800 . 5.600 2.938 2.720 3.161 . 0 0 "[ . 1 . 2]" 1
926 1 37 THR HA 1 37 THR HB 3.000 . 4.100 3.028 3.021 3.033 . 0 0 "[ . 1 . 2]" 1
927 1 37 THR HA 1 40 LYS HB2 2.500 . 3.300 2.777 2.317 3.400 0.100 7 0 "[ . 1 . 2]" 1
928 1 37 THR HA 1 40 LYS QD 3.200 . 4.500 3.288 1.894 4.580 0.080 12 0 "[ . 1 . 2]" 1
929 1 37 THR HB 1 37 THR MG 2.200 . 2.800 2.101 2.089 2.135 . 0 0 "[ . 1 . 2]" 1
930 1 37 THR HA 1 37 THR MG 2.100 . 2.600 2.425 2.315 2.496 . 0 0 "[ . 1 . 2]" 1
931 1 37 THR MG 1 38 TYR H 2.700 . 3.600 3.526 3.376 3.616 0.016 6 0 "[ . 1 . 2]" 1
932 1 37 THR H 1 37 THR MG 2.900 . 3.900 3.764 3.759 3.772 . 0 0 "[ . 1 . 2]" 1
933 1 38 TYR HA 1 38 TYR HB2 2.200 . 2.800 2.382 2.292 2.434 . 0 0 "[ . 1 . 2]" 1
934 1 38 TYR HA 1 53 MET HB2 2.500 . 3.300 2.594 2.040 2.981 . 0 0 "[ . 1 . 2]" 1
935 1 38 TYR H 1 38 TYR HA 2.600 . 3.500 2.785 2.749 2.821 . 0 0 "[ . 1 . 2]" 1
936 1 38 TYR HB2 1 38 TYR QD 2.600 . 3.400 2.581 2.491 2.619 . 0 0 "[ . 1 . 2]" 1
937 1 38 TYR H 1 38 TYR HB2 2.600 . 3.400 2.638 2.550 2.822 . 0 0 "[ . 1 . 2]" 1
938 1 38 TYR HB3 1 38 TYR QD 3.100 . 4.300 2.276 2.264 2.329 . 0 0 "[ . 1 . 2]" 1
939 1 38 TYR H 1 38 TYR HB3 3.300 . 4.600 2.369 2.230 2.459 . 0 0 "[ . 1 . 2]" 1
940 1 39 GLN HA 1 39 GLN HG2 2.400 . 3.100 2.888 2.321 3.818 0.718 17 3 "[ . * 1 -. + 2]" 1
941 1 39 GLN HA 1 39 GLN QB 2.000 . 2.500 2.391 2.235 2.487 . 0 0 "[ . 1 . 2]" 1
942 1 39 GLN HA 1 40 LYS H 3.000 . 4.100 3.543 3.509 3.577 . 0 0 "[ . 1 . 2]" 1
943 1 39 GLN HB2 2 6 LEU QD 3.100 . 4.300 2.802 2.074 3.504 . 0 0 "[ . 1 . 2]" 1
944 1 39 GLN HB3 2 6 LEU QD 2.900 . 4.000 3.520 2.355 3.958 . 0 0 "[ . 1 . 2]" 1
945 1 39 GLN H 1 39 GLN HB3 2.800 . 3.800 3.433 2.196 3.597 . 0 0 "[ . 1 . 2]" 1
946 1 39 GLN H 1 39 GLN HG2 2.800 . 3.800 2.828 2.068 4.401 0.601 17 2 "[ . - 1 . + 2]" 1
947 1 39 GLN HA 1 39 GLN HG3 2.700 . 3.600 3.477 2.599 3.720 0.120 16 0 "[ . 1 . 2]" 1
948 1 39 GLN H 1 39 GLN HG3 3.100 . 4.300 3.471 2.357 4.137 . 0 0 "[ . 1 . 2]" 1
949 1 39 GLN HE22 1 39 GLN HG2 3.000 . 4.100 3.939 3.439 4.016 . 0 0 "[ . 1 . 2]" 1
950 1 39 GLN HE22 1 39 GLN HG3 3.000 . 4.100 3.757 3.405 3.983 . 0 0 "[ . 1 . 2]" 1
951 1 39 GLN HG3 2 6 LEU QD 2.700 . 3.600 2.200 1.768 4.062 0.462 17 0 "[ . 1 . 2]" 1
952 1 42 GLN HA 1 42 GLN QB 2.100 . 2.600 2.340 2.169 2.468 . 0 0 "[ . 1 . 2]" 1
953 1 39 GLN HA 1 42 GLN QG 3.300 . 4.700 4.251 1.844 4.696 0.056 15 0 "[ . 1 . 2]" 1
954 1 42 GLN HA 1 42 GLN QG 3.100 . 4.300 2.536 2.294 3.346 . 0 0 "[ . 1 . 2]" 1
955 1 42 GLN HE22 1 42 GLN QG 3.300 . 4.700 3.520 3.506 3.524 . 0 0 "[ . 1 . 2]" 1
956 1 42 GLN HE21 1 42 GLN QG 2.800 . 3.800 2.916 2.899 2.921 . 0 0 "[ . 1 . 2]" 1
957 1 42 GLN H 1 42 GLN QG 2.900 . 4.000 3.769 2.079 4.094 0.094 5 0 "[ . 1 . 2]" 1
958 1 43 LEU HA 1 43 LEU HB2 2.100 . 2.600 2.701 2.671 2.797 0.197 14 0 "[ . 1 . 2]" 1
959 1 43 LEU HA 1 43 LEU HB3 2.200 . 2.800 2.470 2.248 2.522 . 0 0 "[ . 1 . 2]" 1
960 1 43 LEU HA 1 43 LEU MD2 2.100 . 2.600 2.029 1.857 2.357 . 0 0 "[ . 1 . 2]" 1
961 1 43 LEU HB3 1 43 LEU MD1 2.100 . 2.600 2.389 2.255 2.472 . 0 0 "[ . 1 . 2]" 1
962 1 43 LEU H 1 43 LEU HB3 2.700 . 3.600 3.579 3.450 3.605 0.005 18 0 "[ . 1 . 2]" 1
963 1 43 LEU HB2 1 43 LEU QD 2.300 . 3.000 2.240 2.166 2.337 . 0 0 "[ . 1 . 2]" 1
964 1 43 LEU HA 1 43 LEU HB2 2.600 . 3.500 3.002 2.917 3.012 . 0 0 "[ . 1 . 2]" 1
965 1 43 LEU H 1 43 LEU HB2 2.600 . 3.400 2.493 2.382 3.042 . 0 0 "[ . 1 . 2]" 1
966 1 43 LEU HA 1 43 LEU HG 2.700 . 3.600 3.075 2.989 3.588 . 0 0 "[ . 1 . 2]" 1
967 1 43 LEU QD 1 43 LEU HG 2.000 . 2.500 1.876 1.856 1.893 . 0 0 "[ . 1 . 2]" 1
968 1 43 LEU HB3 1 43 LEU MD2 2.300 . 3.000 2.341 2.253 2.416 . 0 0 "[ . 1 . 2]" 1
969 1 43 LEU HB2 1 43 LEU MD2 2.000 . 2.500 2.076 2.056 2.099 . 0 0 "[ . 1 . 2]" 1
970 1 39 GLN HE21 1 43 LEU MD2 3.300 . 4.700 4.409 3.482 4.927 0.227 12 0 "[ . 1 . 2]" 1
971 1 39 GLN HE22 1 43 LEU MD2 3.400 . 4.900 4.420 3.049 4.982 0.082 14 0 "[ . 1 . 2]" 1
972 1 43 LEU H 1 43 LEU MD2 3.000 . 4.100 3.333 2.221 3.578 . 0 0 "[ . 1 . 2]" 1
973 1 43 LEU HA 1 43 LEU MD1 3.100 . 4.300 3.859 3.817 3.976 . 0 0 "[ . 1 . 2]" 1
974 1 43 LEU H 1 43 LEU MD1 3.100 . 4.300 3.605 3.474 3.807 . 0 0 "[ . 1 . 2]" 1
975 1 44 HIS HA 1 44 HIS QB 2.100 . 2.700 2.302 2.173 2.427 . 0 0 "[ . 1 . 2]" 1
976 1 44 HIS H 1 44 HIS HA 2.500 . 3.300 2.745 2.270 2.947 . 0 0 "[ . 1 . 2]" 1
977 1 44 HIS HA 1 44 HIS HB2 2.500 . 3.300 2.821 2.487 3.031 . 0 0 "[ . 1 . 2]" 1
978 1 44 HIS H 1 44 HIS HB2 3.800 . 5.600 3.400 2.454 4.106 . 0 0 "[ . 1 . 2]" 1
979 1 44 HIS HA 1 44 HIS HB3 2.400 . 3.100 2.453 2.349 2.556 . 0 0 "[ . 1 . 2]" 1
980 1 44 HIS HB3 1 44 HIS HD2 3.600 . 5.200 3.610 2.678 3.843 . 0 0 "[ . 1 . 2]" 1
981 1 44 HIS H 1 44 HIS HB3 3.600 . 5.200 3.783 3.585 4.144 . 0 0 "[ . 1 . 2]" 1
982 1 45 THR HA 1 45 THR MG 2.200 . 2.800 2.323 2.209 2.423 . 0 0 "[ . 1 . 2]" 1
983 1 45 THR HA 1 46 LYS QD 3.700 . 5.400 4.391 2.807 5.443 0.043 8 0 "[ . 1 . 2]" 1
984 1 45 THR HA 1 46 LYS QB 3.800 . 5.600 4.598 3.985 5.319 . 0 0 "[ . 1 . 2]" 1
985 1 44 HIS QB 1 45 THR HA 4.100 . 6.000 4.650 4.007 5.540 . 0 0 "[ . 1 . 2]" 1
986 1 44 HIS H 1 45 THR HA 3.200 . 4.500 4.420 4.030 4.794 0.294 2 0 "[ . 1 . 2]" 1
987 1 45 THR HA 1 46 LYS H 2.400 . 3.100 2.575 2.140 3.213 0.113 9 0 "[ . 1 . 2]" 1
988 1 45 THR HA 1 45 THR HB 2.100 . 2.700 2.556 2.452 2.984 0.284 3 0 "[ . 1 . 2]" 1
989 1 45 THR HB 1 46 LYS QB 3.900 . 5.800 4.542 3.393 5.878 0.078 17 0 "[ . 1 . 2]" 1
990 1 45 THR HB 1 46 LYS QD 3.500 . 5.000 4.312 2.433 5.064 0.064 18 0 "[ . 1 . 2]" 1
991 1 45 THR HB 1 45 THR MG 2.100 . 2.700 2.112 2.086 2.133 . 0 0 "[ . 1 . 2]" 1
992 1 46 LYS HA 1 46 LYS QG 2.400 . 3.100 2.718 2.396 3.022 . 0 0 "[ . 1 . 2]" 1
993 1 46 LYS HA 1 46 LYS QB 2.000 . 2.500 2.408 2.358 2.472 . 0 0 "[ . 1 . 2]" 1
994 1 46 LYS HA 1 47 GLY H 3.000 . 4.100 2.655 2.149 3.575 . 0 0 "[ . 1 . 2]" 1
995 1 46 LYS HB2 1 46 LYS HG2 2.000 . 2.500 2.090 2.008 2.163 . 0 0 "[ . 1 . 2]" 1
996 1 46 LYS HE2 1 46 LYS HG2 2.300 . 3.000 2.502 2.179 3.204 0.204 1 0 "[ . 1 . 2]" 1
997 1 46 LYS QD 1 46 LYS HG2 1.700 . 2.200 2.131 2.123 2.134 . 0 0 "[ . 1 . 2]" 1
998 1 46 LYS H 1 46 LYS QD 3.100 . 4.300 3.190 1.871 4.307 0.029 5 0 "[ . 1 . 2]" 1
999 1 46 LYS QD 1 46 LYS HE2 1.900 . 2.400 2.128 2.123 2.135 . 0 0 "[ . 1 . 2]" 1
1000 1 46 LYS HA 1 46 LYS QD 2.400 . 3.100 2.255 1.811 2.922 . 0 0 "[ . 1 . 2]" 1
1001 1 48 ARG HA 1 49 PRO HD3 2.100 . 2.600 2.439 2.225 2.592 . 0 0 "[ . 1 . 2]" 1
1002 1 48 ARG HA 1 48 ARG QD 3.100 . 4.300 4.047 3.952 4.240 . 0 0 "[ . 1 . 2]" 1
1003 1 48 ARG HA 1 49 PRO QG 2.900 . 3.900 3.909 3.862 3.942 0.042 13 0 "[ . 1 . 2]" 1
1004 1 48 ARG HA 1 48 ARG HB3 2.300 . 3.000 2.477 2.442 2.569 . 0 0 "[ . 1 . 2]" 1
1005 1 48 ARG HA 1 48 ARG HG2 2.200 . 2.800 2.542 2.443 2.629 . 0 0 "[ . 1 . 2]" 1
1006 1 48 ARG HB2 1 48 ARG QD 2.500 . 3.300 2.543 2.339 2.973 . 0 0 "[ . 1 . 2]" 1
1007 1 48 ARG HB2 1 49 PRO HD2 3.400 . 4.800 3.914 3.704 4.172 . 0 0 "[ . 1 . 2]" 1
1008 1 48 ARG HA 1 48 ARG HB2 2.700 . 3.600 3.022 3.009 3.025 . 0 0 "[ . 1 . 2]" 1
1009 1 48 ARG HB3 1 48 ARG QD 2.300 . 3.000 2.496 2.338 2.920 . 0 0 "[ . 1 . 2]" 1
1010 1 48 ARG H 1 48 ARG HB3 2.700 . 3.600 3.597 3.572 3.628 0.028 17 0 "[ . 1 . 2]" 1
1011 1 48 ARG QD 1 48 ARG HG3 2.000 . 2.500 2.309 2.171 2.366 . 0 0 "[ . 1 . 2]" 1
1012 1 48 ARG HA 1 48 ARG HG3 2.800 . 3.800 3.093 2.928 3.178 . 0 0 "[ . 1 . 2]" 1
1013 1 48 ARG HB3 1 48 ARG HG2 2.100 . 2.700 2.447 2.426 2.489 . 0 0 "[ . 1 . 2]" 1
1014 1 48 ARG QD 1 48 ARG HG2 2.300 . 2.900 2.308 2.170 2.389 . 0 0 "[ . 1 . 2]" 1
1015 1 48 ARG H 1 48 ARG HG2 3.100 . 4.300 3.399 3.188 3.806 . 0 0 "[ . 1 . 2]" 1
1016 1 48 ARG QD 1 48 ARG HG3 1.900 . 2.400 2.129 2.125 2.132 . 0 0 "[ . 1 . 2]" 1
1017 1 49 PRO HA 1 49 PRO HB2 2.300 . 2.900 2.753 2.687 2.819 . 0 0 "[ . 1 . 2]" 1
1018 1 49 PRO HA 1 49 PRO HB3 2.100 . 2.700 2.285 2.258 2.312 . 0 0 "[ . 1 . 2]" 1
1019 1 49 PRO HB2 1 49 PRO QG 1.900 . 2.300 2.183 2.178 2.187 . 0 0 "[ . 1 . 2]" 1
1020 1 49 PRO HB2 1 49 PRO HD2 3.000 . 4.100 4.051 4.031 4.067 . 0 0 "[ . 1 . 2]" 1
1021 1 49 PRO HB2 1 49 PRO HD3 3.100 . 4.300 3.888 3.870 3.935 . 0 0 "[ . 1 . 2]" 1
1022 1 49 PRO HB3 1 49 PRO HG3 1.900 . 2.400 2.320 2.297 2.335 . 0 0 "[ . 1 . 2]" 1
1023 1 49 PRO HA 1 49 PRO QG 2.700 . 3.600 3.491 3.464 3.504 . 0 0 "[ . 1 . 2]" 1
1024 1 49 PRO HD2 1 49 PRO QG 2.000 . 2.500 2.186 2.182 2.188 . 0 0 "[ . 1 . 2]" 1
1025 1 48 ARG HB3 1 49 PRO HD2 2.200 . 2.800 2.471 2.221 2.799 . 0 0 "[ . 1 . 2]" 1
1026 1 48 ARG HB2 1 49 PRO HD2 2.600 . 3.400 3.234 2.921 3.416 0.016 16 0 "[ . 1 . 2]" 1
1027 1 48 ARG HA 1 49 PRO HD2 2.100 . 2.600 2.152 2.081 2.273 . 0 0 "[ . 1 . 2]" 1
1028 1 49 PRO HB3 1 49 PRO HD3 2.300 . 3.000 2.953 2.908 3.010 0.010 3 0 "[ . 1 . 2]" 1
1029 1 49 PRO HD3 1 49 PRO HG3 2.000 . 2.500 2.318 2.299 2.328 . 0 0 "[ . 1 . 2]" 1
1030 1 50 PHE HA 1 50 PHE QB 2.000 . 2.500 2.388 2.323 2.480 . 0 0 "[ . 1 . 2]" 1
1031 1 50 PHE HA 1 50 PHE QD 2.300 . 3.000 2.210 2.014 2.998 . 0 0 "[ . 1 . 2]" 1
1032 1 50 PHE HA 1 51 ARG H 2.100 . 2.600 2.369 2.140 2.732 0.132 13 0 "[ . 1 . 2]" 1
1033 1 50 PHE QB 1 50 PHE QD 2.100 . 2.600 2.166 2.149 2.199 . 0 0 "[ . 1 . 2]" 1
1034 1 51 ARG HA 1 51 ARG QD 3.200 . 4.500 3.442 1.947 4.234 . 0 0 "[ . 1 . 2]" 1
1035 1 51 ARG HA 1 51 ARG HB2 2.100 . 2.600 2.742 2.393 3.017 0.417 11 0 "[ . 1 . 2]" 1
1036 1 51 ARG H 1 51 ARG HA 2.500 . 3.300 2.660 2.248 2.903 . 0 0 "[ . 1 . 2]" 1
1037 1 51 ARG HB3 1 51 ARG QD 2.600 . 3.500 2.605 2.339 3.441 . 0 0 "[ . 1 . 2]" 1
1038 1 51 ARG HA 1 51 ARG HB3 2.600 . 3.400 2.745 2.424 3.023 . 0 0 "[ . 1 . 2]" 1
1039 1 51 ARG QD 1 51 ARG HG2 1.800 . 2.200 2.126 2.106 2.131 . 0 0 "[ . 1 . 2]" 1
1040 1 51 ARG HB2 1 51 ARG QD 2.000 . 2.500 2.750 2.352 3.309 0.809 5 4 "[*- + 1 . * 2]" 1
1041 1 53 MET HA 1 53 MET QG 2.200 . 2.800 2.532 2.351 2.891 0.091 7 0 "[ . 1 . 2]" 1
1042 1 53 MET HA 1 53 MET HB2 2.100 . 2.700 2.445 2.317 2.528 . 0 0 "[ . 1 . 2]" 1
1043 1 53 MET HA 1 53 MET HB3 2.300 . 3.000 3.011 2.962 3.019 0.019 4 0 "[ . 1 . 2]" 1
1044 1 53 MET HA 1 54 SER H 2.000 . 2.500 2.240 2.139 2.377 . 0 0 "[ . 1 . 2]" 1
1045 1 53 MET HA 1 53 MET HG3 2.600 . 3.400 2.649 2.442 3.003 . 0 0 "[ . 1 . 2]" 1
1046 1 53 MET HG3 1 54 SER H 3.600 . 5.200 2.733 2.277 3.139 . 0 0 "[ . 1 . 2]" 1
1047 1 53 MET HA 1 53 MET HG2 2.800 . 3.800 3.224 3.017 3.793 . 0 0 "[ . 1 . 2]" 1
1048 1 38 TYR QD 1 53 MET HG2 4.100 . 6.000 2.773 2.216 3.968 . 0 0 "[ . 1 . 2]" 1
1049 1 53 MET HG2 1 54 SER H 4.200 . 6.000 2.849 2.248 4.633 . 0 0 "[ . 1 . 2]" 1
1050 1 53 MET ME 1 58 VAL MG2 1.900 . 2.400 1.871 1.594 2.306 . 0 0 "[ . 1 . 2]" 1
1051 1 37 THR MG 1 53 MET ME 2.200 . 2.800 2.335 1.709 2.851 0.051 5 0 "[ . 1 . 2]" 1
1052 1 53 MET ME 1 57 GLU QG 2.200 . 2.800 2.264 1.954 2.714 . 0 0 "[ . 1 . 2]" 1
1053 1 53 MET ME 1 53 MET QG 2.100 . 2.600 2.190 2.163 2.243 . 0 0 "[ . 1 . 2]" 1
1054 1 38 TYR HB2 1 53 MET ME 2.300 . 3.000 2.408 1.573 3.020 0.027 20 0 "[ . 1 . 2]" 1
1055 1 38 TYR HA 1 53 MET ME 2.300 . 3.000 2.611 2.043 3.033 0.033 19 0 "[ . 1 . 2]" 1
1056 1 37 THR HB 1 53 MET ME 2.300 . 3.000 2.383 1.924 2.653 . 0 0 "[ . 1 . 2]" 1
1057 1 38 TYR QD 1 53 MET ME 3.200 . 4.500 3.414 3.097 3.635 . 0 0 "[ . 1 . 2]" 1
1058 1 53 MET ME 1 58 VAL H 2.500 . 3.300 3.044 2.658 3.307 0.007 2 0 "[ . 1 . 2]" 1
1059 1 38 TYR H 1 53 MET ME 2.700 . 3.600 2.724 2.332 3.178 . 0 0 "[ . 1 . 2]" 1
1060 1 53 MET ME 1 54 SER H 3.600 . 5.300 3.991 3.581 4.309 . 0 0 "[ . 1 . 2]" 1
1061 1 54 SER HA 1 54 SER HB3 2.100 . 2.600 2.599 2.435 3.031 0.431 10 0 "[ . 1 . 2]" 1
1062 1 54 SER H 1 54 SER HB2 3.000 . 4.100 3.669 2.800 4.020 . 0 0 "[ . 1 . 2]" 1
1063 1 55 GLU HA 1 55 GLU QG 2.300 . 2.900 2.604 2.399 3.034 0.134 15 0 "[ . 1 . 2]" 1
1064 1 55 GLU HA 1 55 GLU HB3 2.200 . 2.800 2.507 2.421 2.869 0.069 10 0 "[ . 1 . 2]" 1
1065 1 55 GLU HA 1 58 VAL H 2.800 . 3.800 3.618 3.502 3.813 0.013 10 0 "[ . 1 . 2]" 1
1066 1 55 GLU H 1 55 GLU HB3 2.900 . 4.000 3.450 2.044 3.881 . 0 0 "[ . 1 . 2]" 1
1067 1 55 GLU HA 1 55 GLU HG2 2.900 . 3.900 3.231 2.545 3.713 . 0 0 "[ . 1 . 2]" 1
1068 1 55 GLU HA 1 55 GLU HG3 2.500 . 3.300 2.986 2.434 3.767 0.467 16 0 "[ . 1 . 2]" 1
1069 1 56 GLU HA 1 59 PHE HB3 2.800 . 3.800 3.320 2.838 3.745 . 0 0 "[ . 1 . 2]" 1
1070 1 56 GLU HA 1 59 PHE HB2 3.400 . 4.900 4.180 3.715 4.678 . 0 0 "[ . 1 . 2]" 1
1071 1 57 GLU QG 1 58 VAL HA 2.900 . 3.900 3.466 3.365 3.524 . 0 0 "[ . 1 . 2]" 1
1072 1 58 VAL HA 1 58 VAL QG 1.900 . 2.400 2.146 2.081 2.184 . 0 0 "[ . 1 . 2]" 1
1073 1 58 VAL H 1 58 VAL HA 2.600 . 3.400 2.767 2.752 2.794 . 0 0 "[ . 1 . 2]" 1
1074 1 58 VAL HB 1 58 VAL QG 2.100 . 2.600 1.878 1.860 1.895 . 0 0 "[ . 1 . 2]" 1
1075 1 58 VAL HA 1 58 VAL HB 2.900 . 3.900 3.023 3.018 3.028 . 0 0 "[ . 1 . 2]" 1
1076 1 55 GLU HA 1 58 VAL HB 2.900 . 4.000 2.634 2.428 2.809 . 0 0 "[ . 1 . 2]" 1
1077 1 58 VAL H 1 58 VAL HB 2.500 . 3.300 2.635 2.581 2.690 . 0 0 "[ . 1 . 2]" 1
1078 1 58 VAL HB 1 58 VAL MG1 2.100 . 2.700 2.116 2.090 2.129 . 0 0 "[ . 1 . 2]" 1
1079 1 58 VAL HA 1 58 VAL MG1 2.500 . 3.300 2.405 2.290 2.453 . 0 0 "[ . 1 . 2]" 1
1080 1 35 LEU HA 1 58 VAL MG1 2.600 . 3.400 2.766 2.451 3.097 . 0 0 "[ . 1 . 2]" 1
1081 1 58 VAL MG1 1 76 PHE HZ 2.200 . 2.800 1.742 1.593 1.944 0.007 10 0 "[ . 1 . 2]" 1
1082 1 58 VAL MG1 1 76 PHE QE 2.300 . 3.000 2.788 2.648 2.916 . 0 0 "[ . 1 . 2]" 1
1083 1 58 VAL MG1 1 59 PHE H 2.600 . 3.500 3.470 3.359 3.532 0.032 13 0 "[ . 1 . 2]" 1
1084 1 58 VAL MG2 1 59 PHE H 3.000 . 4.100 3.773 3.688 3.858 . 0 0 "[ . 1 . 2]" 1
1085 1 58 VAL HA 1 58 VAL MG2 2.300 . 3.000 2.416 2.300 2.484 . 0 0 "[ . 1 . 2]" 1
1086 1 59 PHE HA 1 59 PHE HB3 2.600 . 3.500 3.027 3.024 3.029 . 0 0 "[ . 1 . 2]" 1
1087 1 59 PHE HA 1 59 PHE HB2 2.400 . 3.100 2.452 2.426 2.493 . 0 0 "[ . 1 . 2]" 1
1088 1 59 PHE HA 1 62 VAL HB 2.700 . 3.600 3.113 2.915 3.401 . 0 0 "[ . 1 . 2]" 1
1089 1 58 VAL MG1 1 59 PHE HA 2.700 . 3.600 3.536 3.379 3.630 0.030 11 0 "[ . 1 . 2]" 1
1090 1 59 PHE HA 1 62 VAL MG2 3.000 . 4.100 3.499 3.297 3.818 . 0 0 "[ . 1 . 2]" 1
1091 1 59 PHE HA 1 76 PHE QE 2.300 . 3.000 1.595 1.542 1.682 0.058 14 0 "[ . 1 . 2]" 1
1092 1 59 PHE HA 1 76 PHE QD 3.200 . 4.400 3.339 3.085 3.547 . 0 0 "[ . 1 . 2]" 1
1093 1 59 PHE HB2 1 80 LEU QD 3.000 . 4.200 2.078 1.797 2.426 0.103 9 0 "[ . 1 . 2]" 1
1094 1 60 THR HA 1 60 THR HB 2.600 . 3.400 3.021 3.008 3.025 . 0 0 "[ . 1 . 2]" 1
1095 1 60 THR HA 1 76 PHE QE 4.000 . 6.000 6.035 5.993 6.071 0.071 5 0 "[ . 1 . 2]" 1
1096 1 60 THR HA 1 64 ASN H 4.100 . 6.000 4.010 3.585 4.226 . 0 0 "[ . 1 . 2]" 1
1097 1 60 THR HA 1 61 GLU H 3.500 . 5.000 3.563 3.529 3.591 . 0 0 "[ . 1 . 2]" 1
1098 1 60 THR H 1 60 THR HA 2.500 . 3.300 2.833 2.807 2.862 . 0 0 "[ . 1 . 2]" 1
1099 1 60 THR HA 1 63 ALA H 3.100 . 4.300 3.590 3.446 3.811 . 0 0 "[ . 1 . 2]" 1
1100 1 57 GLU HA 1 60 THR HB 2.600 . 3.400 2.709 2.358 2.950 . 0 0 "[ . 1 . 2]" 1
1101 1 57 GLU QG 1 60 THR HB 3.200 . 4.500 3.681 3.074 4.111 . 0 0 "[ . 1 . 2]" 1
1102 1 60 THR HB 1 61 GLU QB 3.700 . 5.400 4.452 3.887 4.673 . 0 0 "[ . 1 . 2]" 1
1103 1 60 THR HB 1 60 THR MG 2.100 . 2.600 2.102 2.087 2.135 . 0 0 "[ . 1 . 2]" 1
1104 1 60 THR HA 1 60 THR MG 2.000 . 2.500 2.388 2.307 2.570 0.070 3 0 "[ . 1 . 2]" 1
1105 1 60 THR MG 1 64 ASN HD22 2.800 . 3.800 2.135 1.779 3.897 0.097 3 0 "[ . 1 . 2]" 1
1106 1 60 THR MG 1 64 ASN HD21 2.900 . 3.900 2.527 2.269 2.650 . 0 0 "[ . 1 . 2]" 1
1107 1 60 THR MG 1 61 GLU H 2.600 . 3.500 3.223 2.932 3.407 . 0 0 "[ . 1 . 2]" 1
1108 1 62 VAL HA 1 62 VAL HB 2.400 . 3.100 3.026 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
1109 1 62 VAL HA 1 62 VAL MG2 2.200 . 2.800 2.373 2.234 2.453 . 0 0 "[ . 1 . 2]" 1
1110 1 62 VAL HA 1 62 VAL MG1 2.400 . 3.100 2.352 2.298 2.467 . 0 0 "[ . 1 . 2]" 1
1111 1 62 VAL H 1 62 VAL HA 2.700 . 3.600 2.828 2.821 2.848 . 0 0 "[ . 1 . 2]" 1
1112 1 62 VAL HA 1 63 ALA H 3.200 . 4.500 3.544 3.532 3.556 . 0 0 "[ . 1 . 2]" 1
1113 1 62 VAL MG1 1 62 VAL MG2 2.000 . 2.500 1.993 1.877 2.092 . 0 0 "[ . 1 . 2]" 1
1114 1 62 VAL MG1 1 73 LEU QD 2.200 . 2.800 2.360 1.930 2.767 . 0 0 "[ . 1 . 2]" 1
1115 1 62 VAL HB 1 62 VAL MG1 2.200 . 2.800 2.101 2.083 2.129 . 0 0 "[ . 1 . 2]" 1
1116 1 62 VAL MG1 1 66 PHE QD 2.700 . 3.600 3.133 2.788 3.391 . 0 0 "[ . 1 . 2]" 1
1117 1 31 PHE QD 1 62 VAL MG1 2.300 . 2.900 2.342 1.939 2.657 . 0 0 "[ . 1 . 2]" 1
1118 1 62 VAL MG1 1 76 PHE QE 3.000 . 4.200 3.393 3.128 3.698 . 0 0 "[ . 1 . 2]" 1
1119 1 62 VAL MG1 1 76 PHE QD 3.400 . 4.900 2.794 2.485 3.071 . 0 0 "[ . 1 . 2]" 1
1120 1 62 VAL H 1 62 VAL MG1 3.000 . 4.100 3.772 3.764 3.777 . 0 0 "[ . 1 . 2]" 1
1121 1 62 VAL HB 1 62 VAL MG2 2.200 . 2.800 2.107 2.086 2.129 . 0 0 "[ . 1 . 2]" 1
1122 1 61 GLU QB 1 62 VAL MG2 3.100 . 4.300 3.068 2.820 3.268 . 0 0 "[ . 1 . 2]" 1
1123 1 31 PHE QD 1 62 VAL MG2 2.100 . 2.700 2.078 1.797 2.482 . 0 0 "[ . 1 . 2]" 1
1124 1 62 VAL MG2 1 76 PHE QE 2.600 . 3.400 2.578 2.359 2.830 . 0 0 "[ . 1 . 2]" 1
1125 1 63 ALA HA 1 64 ASN H 3.200 . 4.500 3.524 3.509 3.549 . 0 0 "[ . 1 . 2]" 1
1126 1 63 ALA HA 1 66 PHE HB2 3.100 . 4.300 3.281 2.834 3.622 . 0 0 "[ . 1 . 2]" 1
1127 1 63 ALA HA 1 63 ALA MB 2.000 . 2.500 2.115 2.086 2.131 . 0 0 "[ . 1 . 2]" 1
1128 1 63 ALA HA 1 73 LEU QD 2.100 . 2.600 1.657 1.550 2.239 0.050 19 0 "[ . 1 . 2]" 1
1129 1 62 VAL MG1 1 63 ALA HA 3.600 . 5.200 3.579 3.316 3.689 . 0 0 "[ . 1 . 2]" 1
1130 1 63 ALA MB 1 73 LEU MD1 2.100 . 2.600 2.417 1.639 2.618 0.018 6 0 "[ . 1 . 2]" 1
1131 1 62 VAL MG1 1 63 ALA MB 3.600 . 5.200 4.178 3.997 4.256 . 0 0 "[ . 1 . 2]" 1
1132 1 63 ALA MB 1 64 ASN QB 3.100 . 4.300 4.208 3.691 4.319 0.019 15 0 "[ . 1 . 2]" 1
1133 1 64 ASN HA 1 64 ASN QB 1.900 . 2.400 2.390 2.172 2.441 0.041 17 0 "[ . 1 . 2]" 1
1134 1 64 ASN HA 1 67 ARG HB2 2.600 . 3.400 3.415 3.236 3.477 0.077 7 0 "[ . 1 . 2]" 1
1135 1 63 ALA MB 1 64 ASN HA 3.100 . 4.300 3.797 3.711 3.847 . 0 0 "[ . 1 . 2]" 1
1136 1 65 LEU H 1 65 LEU HA 2.400 . 3.100 2.822 2.799 2.843 . 0 0 "[ . 1 . 2]" 1
1137 1 65 LEU HA 1 65 LEU MD2 2.000 . 2.500 2.194 2.035 2.278 . 0 0 "[ . 1 . 2]" 1
1138 1 65 LEU HA 1 65 LEU QB 2.100 . 2.700 2.519 2.507 2.535 . 0 0 "[ . 1 . 2]" 1
1139 1 65 LEU HA 1 65 LEU HG 2.200 . 2.800 2.630 2.550 2.687 . 0 0 "[ . 1 . 2]" 1
1140 1 65 LEU HA 1 65 LEU HB2 2.700 . 3.600 2.917 2.861 2.941 . 0 0 "[ . 1 . 2]" 1
1141 1 65 LEU HB2 1 66 PHE H 3.000 . 4.100 2.498 2.407 2.670 . 0 0 "[ . 1 . 2]" 1
1142 1 65 LEU HB2 1 65 LEU MD1 2.000 . 2.500 2.180 2.123 2.248 . 0 0 "[ . 1 . 2]" 1
1143 1 65 LEU HB3 1 65 LEU QD 2.000 . 2.500 2.049 2.021 2.132 . 0 0 "[ . 1 . 2]" 1
1144 1 65 LEU HA 1 65 LEU HB3 2.600 . 3.500 2.756 2.717 2.831 . 0 0 "[ . 1 . 2]" 1
1145 1 65 LEU H 1 65 LEU HB3 2.500 . 3.300 3.349 3.246 3.385 0.085 17 0 "[ . 1 . 2]" 1
1146 1 65 LEU HB3 1 66 PHE H 3.100 . 4.300 2.430 2.213 2.532 . 0 0 "[ . 1 . 2]" 1
1147 1 65 LEU QD 1 65 LEU HG 2.000 . 2.500 1.867 1.857 1.877 . 0 0 "[ . 1 . 2]" 1
1148 1 27 ILE MG 1 65 LEU MD2 2.500 . 3.300 1.855 1.693 2.052 0.007 14 0 "[ . 1 . 2]" 1
1149 1 65 LEU HB3 1 65 LEU MD2 2.100 . 2.700 2.260 2.184 2.415 . 0 0 "[ . 1 . 2]" 1
1150 1 65 LEU MD2 1 65 LEU HG 2.100 . 2.600 2.108 2.090 2.132 . 0 0 "[ . 1 . 2]" 1
1151 1 31 PHE HB2 1 65 LEU MD1 3.000 . 4.200 2.422 2.267 2.533 . 0 0 "[ . 1 . 2]" 1
1152 1 27 ILE HA 1 65 LEU MD2 2.800 . 3.800 2.239 1.969 2.780 . 0 0 "[ . 1 . 2]" 1
1153 1 65 LEU MD2 1 66 PHE QD 2.600 . 3.500 3.511 3.304 3.563 0.063 6 0 "[ . 1 . 2]" 1
1154 1 31 PHE QD 1 65 LEU MD1 2.400 . 3.200 3.175 3.069 3.225 0.025 13 0 "[ . 1 . 2]" 1
1155 1 27 ILE MG 1 65 LEU MD1 2.500 . 3.300 2.947 2.679 3.128 . 0 0 "[ . 1 . 2]" 1
1156 1 65 LEU QB 1 65 LEU MD1 2.200 . 2.800 2.007 1.992 2.029 . 0 0 "[ . 1 . 2]" 1
1157 1 65 LEU MD1 1 65 LEU HG 2.000 . 2.500 2.083 2.078 2.089 . 0 0 "[ . 1 . 2]" 1
1158 1 66 PHE HB3 1 73 LEU MD2 2.700 . 3.600 2.632 2.345 3.135 . 0 0 "[ . 1 . 2]" 1
1159 1 70 GLU HA 1 73 LEU MD2 2.200 . 2.800 2.841 2.711 2.873 0.073 20 0 "[ . 1 . 2]" 1
1160 1 65 LEU MD1 1 66 PHE QD 3.000 . 4.100 3.796 3.604 3.985 . 0 0 "[ . 1 . 2]" 1
1161 1 73 LEU MD2 1 76 PHE QD 3.500 . 5.000 3.996 3.765 4.350 . 0 0 "[ . 1 . 2]" 1
1162 1 65 LEU H 1 65 LEU MD1 2.800 . 3.800 3.809 3.707 3.869 0.069 19 0 "[ . 1 . 2]" 1
1163 1 65 LEU MD1 1 66 PHE H 2.900 . 3.900 4.009 3.977 4.050 0.150 6 0 "[ . 1 . 2]" 1
1164 1 66 PHE HB3 1 69 GLN QB 3.700 . 5.500 2.804 1.995 4.015 . 0 0 "[ . 1 . 2]" 1
1165 1 66 PHE H 1 66 PHE HB3 3.300 . 4.700 3.584 3.565 3.597 . 0 0 "[ . 1 . 2]" 1
1166 1 67 ARG HA 1 67 ARG QD 3.500 . 5.000 3.587 1.992 4.272 0.008 11 0 "[ . 1 . 2]" 1
1167 1 67 ARG HA 1 67 ARG HB2 2.000 . 2.500 2.387 2.349 2.487 . 0 0 "[ . 1 . 2]" 1
1168 1 67 ARG HA 1 67 ARG HG3 2.700 . 3.600 2.713 2.539 3.172 . 0 0 "[ . 1 . 2]" 1
1169 1 67 ARG HB2 1 67 ARG QD 2.700 . 3.600 2.530 2.353 2.953 . 0 0 "[ . 1 . 2]" 1
1170 1 67 ARG HA 1 67 ARG HB2 2.500 . 3.300 2.454 2.430 2.525 . 0 0 "[ . 1 . 2]" 1
1171 1 67 ARG HB3 1 67 ARG QD 2.700 . 3.600 2.801 2.391 3.307 . 0 0 "[ . 1 . 2]" 1
1172 1 67 ARG QD 1 67 ARG HG3 2.200 . 2.800 2.298 2.173 2.366 . 0 0 "[ . 1 . 2]" 1
1173 1 67 ARG QD 1 67 ARG HG2 2.400 . 3.100 2.302 2.172 2.362 . 0 0 "[ . 1 . 2]" 1
1174 1 67 ARG HA 1 67 ARG HG2 2.900 . 4.000 3.312 3.017 3.796 . 0 0 "[ . 1 . 2]" 1
1175 1 67 ARG HB2 1 67 ARG HD2 2.100 . 2.700 2.224 2.118 2.338 . 0 0 "[ . 1 . 2]" 1
1176 1 70 GLU HA 1 73 LEU H 2.900 . 3.900 2.982 2.768 3.219 . 0 0 "[ . 1 . 2]" 1
1177 1 70 GLU HA 1 73 LEU HB2 2.400 . 3.100 1.897 1.662 2.665 0.038 1 0 "[ . 1 . 2]" 1
1178 1 70 GLU HA 1 70 GLU QB 1.900 . 2.400 2.381 2.346 2.481 0.081 11 0 "[ . 1 . 2]" 1
1179 1 70 GLU HA 1 70 GLU HG3 2.600 . 3.400 3.008 2.267 3.641 0.241 4 0 "[ . 1 . 2]" 1
1180 1 70 GLU H 1 70 GLU HB2 2.200 . 2.800 2.493 2.041 3.164 0.364 12 0 "[ . 1 . 2]" 1
1181 1 70 GLU HA 1 70 GLU HG2 2.300 . 2.900 2.637 2.388 3.529 0.629 5 1 "[ + 1 . 2]" 1
1182 1 70 GLU H 1 70 GLU HG2 2.800 . 3.800 3.374 2.221 4.365 0.565 11 1 "[ . 1+ . 2]" 1
1183 1 70 GLU QB 1 70 GLU HG3 2.000 . 2.500 2.332 2.150 2.432 . 0 0 "[ . 1 . 2]" 1
1184 1 70 GLU H 1 70 GLU HG3 3.000 . 4.100 2.479 2.088 3.870 . 0 0 "[ . 1 . 2]" 1
1185 1 71 ASP HA 1 71 ASP HB2 2.300 . 2.900 2.548 2.407 3.014 0.114 1 0 "[ . 1 . 2]" 1
1186 1 13 TYR QE 1 72 LEU HA 2.500 . 3.300 2.850 2.521 3.289 . 0 0 "[ . 1 . 2]" 1
1187 1 72 LEU HA 1 72 LEU MD2 2.100 . 2.700 2.032 1.838 2.369 . 0 0 "[ . 1 . 2]" 1
1188 1 72 LEU HA 1 72 LEU HB3 2.600 . 3.500 2.469 2.440 2.495 . 0 0 "[ . 1 . 2]" 1
1189 1 72 LEU HB3 1 72 LEU MD2 3.200 . 4.500 2.339 2.189 2.419 . 0 0 "[ . 1 . 2]" 1
1190 1 72 LEU HB2 1 72 LEU MD2 3.900 . 5.800 3.184 3.162 3.196 . 0 0 "[ . 1 . 2]" 1
1191 1 72 LEU HB2 1 72 LEU MD1 3.000 . 4.100 2.258 2.038 2.377 . 0 0 "[ . 1 . 2]" 1
1192 1 72 LEU MD1 1 72 LEU HG 3.200 . 4.500 2.109 2.082 2.127 . 0 0 "[ . 1 . 2]" 1
1193 1 72 LEU MD2 1 72 LEU HG 3.500 . 5.100 2.117 2.091 2.131 . 0 0 "[ . 1 . 2]" 1
1194 1 72 LEU MD1 1 72 LEU MD2 2.000 . 2.500 2.050 1.955 2.091 . 0 0 "[ . 1 . 2]" 1
1195 1 17 ILE MD 1 72 LEU MD2 2.800 . 3.800 3.803 3.564 3.851 0.051 12 0 "[ . 1 . 2]" 1
1196 1 16 LYS HB3 1 72 LEU MD2 2.400 . 3.100 3.027 2.306 3.154 0.054 4 0 "[ . 1 . 2]" 1
1197 1 16 LYS QE 1 72 LEU MD2 2.800 . 3.800 2.751 1.887 3.814 0.014 12 0 "[ . 1 . 2]" 1
1198 1 17 ILE HA 1 72 LEU MD2 3.100 . 4.300 3.191 2.802 3.476 . 0 0 "[ . 1 . 2]" 1
1199 1 13 TYR QE 1 72 LEU MD2 2.500 . 3.300 3.030 2.747 3.311 0.011 13 0 "[ . 1 . 2]" 1
1200 1 13 TYR QD 1 72 LEU MD2 2.800 . 3.800 3.468 3.126 3.773 . 0 0 "[ . 1 . 2]" 1
1201 1 17 ILE H 1 72 LEU MD2 3.400 . 4.800 3.822 3.464 4.034 . 0 0 "[ . 1 . 2]" 1
1202 1 72 LEU H 1 72 LEU MD2 2.800 . 3.700 3.460 3.290 3.651 . 0 0 "[ . 1 . 2]" 1
1203 1 72 LEU HB3 1 72 LEU MD1 2.300 . 3.000 2.426 2.327 2.628 . 0 0 "[ . 1 . 2]" 1
1204 1 72 LEU HB2 1 72 LEU MD1 2.100 . 2.600 1.935 1.841 1.982 . 0 0 "[ . 1 . 2]" 1
1205 1 69 GLN QB 1 72 LEU MD1 2.500 . 3.300 3.201 2.679 3.380 0.080 7 0 "[ . 1 . 2]" 1
1206 1 72 LEU HA 1 72 LEU MD1 3.500 . 5.000 3.892 3.849 3.931 . 0 0 "[ . 1 . 2]" 1
1207 1 66 PHE QD 1 72 LEU MD1 3.300 . 4.700 3.265 2.753 3.651 . 0 0 "[ . 1 . 2]" 1
1208 1 21 PHE QE 1 72 LEU MD1 2.400 . 3.100 2.007 1.695 2.375 0.005 15 0 "[ . 1 . 2]" 1
1209 1 21 PHE QD 1 72 LEU MD1 3.300 . 4.700 3.429 2.902 3.857 . 0 0 "[ . 1 . 2]" 1
1210 1 72 LEU H 1 72 LEU MD1 2.900 . 3.900 3.518 3.278 3.663 . 0 0 "[ . 1 . 2]" 1
1211 1 66 PHE QD 1 72 LEU MD2 3.500 . 5.000 4.760 4.320 5.020 0.020 20 0 "[ . 1 . 2]" 1
1212 1 21 PHE QD 1 72 LEU MD2 3.800 . 5.600 5.196 4.836 5.618 0.018 2 0 "[ . 1 . 2]" 1
1213 1 66 PHE QD 1 73 LEU HA 3.000 . 4.200 3.329 2.452 4.040 . 0 0 "[ . 1 . 2]" 1
1214 1 73 LEU H 1 73 LEU HA 2.600 . 3.500 2.749 2.733 2.767 . 0 0 "[ . 1 . 2]" 1
1215 1 73 LEU HA 1 73 LEU HB3 2.500 . 3.300 2.868 2.730 2.998 . 0 0 "[ . 1 . 2]" 1
1216 1 73 LEU HA 1 73 LEU HB2 2.300 . 3.000 2.692 2.432 2.800 . 0 0 "[ . 1 . 2]" 1
1217 1 73 LEU HA 1 73 LEU QD 2.100 . 2.700 1.895 1.753 1.999 . 0 0 "[ . 1 . 2]" 1
1218 1 73 LEU QD 1 73 LEU HG 2.100 . 2.700 1.880 1.861 1.891 . 0 0 "[ . 1 . 2]" 1
1219 1 73 LEU H 1 73 LEU HG 3.200 . 4.500 4.308 4.022 4.551 0.051 6 0 "[ . 1 . 2]" 1
1220 1 73 LEU HA 1 73 LEU HG 3.200 . 4.400 3.596 3.352 3.640 . 0 0 "[ . 1 . 2]" 1
1221 1 62 VAL MG1 1 73 LEU MD1 2.600 . 3.400 2.791 2.392 3.376 . 0 0 "[ . 1 . 2]" 1
1222 1 73 LEU MD1 1 73 LEU HG 2.000 . 2.500 2.112 2.079 2.128 . 0 0 "[ . 1 . 2]" 1
1223 1 73 LEU HB3 1 73 LEU MD1 2.300 . 3.000 2.530 2.342 3.164 0.164 20 0 "[ . 1 . 2]" 1
1224 1 73 LEU HA 1 73 LEU MD1 2.500 . 3.300 1.996 1.786 2.173 . 0 0 "[ . 1 . 2]" 1
1225 1 66 PHE QD 1 73 LEU MD1 2.900 . 4.000 3.945 2.861 4.085 0.085 17 0 "[ . 1 . 2]" 1
1226 1 73 LEU MD1 1 76 PHE QD 2.500 . 3.300 2.407 2.138 2.725 . 0 0 "[ . 1 . 2]" 1
1227 1 73 LEU H 1 73 LEU MD1 3.500 . 5.000 3.998 3.839 4.100 . 0 0 "[ . 1 . 2]" 1
1228 1 62 VAL MG1 1 73 LEU MD2 2.800 . 3.800 2.660 2.022 3.783 . 0 0 "[ . 1 . 2]" 1
1229 1 73 LEU HB3 1 73 LEU MD2 2.400 . 3.100 3.086 2.519 3.163 0.063 8 0 "[ . 1 . 2]" 1
1230 1 73 LEU HA 1 73 LEU MD2 2.500 . 3.300 2.487 2.193 3.557 0.257 20 0 "[ . 1 . 2]" 1
1231 1 63 ALA HA 1 73 LEU MD1 2.200 . 2.800 2.743 2.364 2.846 0.046 14 0 "[ . 1 . 2]" 1
1232 1 66 PHE QD 1 73 LEU MD2 2.600 . 3.400 2.468 2.097 3.504 0.104 20 0 "[ . 1 . 2]" 1
1233 1 73 LEU MD2 1 74 SER H 3.800 . 5.700 4.577 4.322 4.727 . 0 0 "[ . 1 . 2]" 1
1234 1 74 SER H 1 74 SER HA 2.500 . 3.300 2.776 2.758 2.793 . 0 0 "[ . 1 . 2]" 1
1235 1 74 SER HA 1 74 SER QB 2.000 . 2.500 2.364 2.355 2.395 . 0 0 "[ . 1 . 2]" 1
1236 1 75 GLU H 1 75 GLU HA 2.700 . 3.600 2.836 2.808 2.872 . 0 0 "[ . 1 . 2]" 1
1237 1 75 GLU HA 1 75 GLU HG3 2.500 . 3.300 3.243 3.090 3.687 0.387 9 0 "[ . 1 . 2]" 1
1238 1 75 GLU HA 1 78 GLN QG 2.700 . 3.600 2.461 1.896 3.087 0.104 2 0 "[ . 1 . 2]" 1
1239 1 75 GLU HA 1 75 GLU HB3 2.500 . 3.300 2.466 2.411 2.519 . 0 0 "[ . 1 . 2]" 1
1240 1 75 GLU H 1 75 GLU HB3 3.000 . 4.100 3.588 3.575 3.600 . 0 0 "[ . 1 . 2]" 1
1241 1 75 GLU HA 1 75 GLU HB2 2.600 . 3.400 3.021 3.005 3.027 . 0 0 "[ . 1 . 2]" 1
1242 1 75 GLU HA 1 75 GLU HG2 2.600 . 3.500 2.644 2.492 3.056 . 0 0 "[ . 1 . 2]" 1
1243 1 75 GLU H 1 75 GLU HG3 2.200 . 2.800 2.479 2.055 3.761 0.961 14 4 "[ * *1 +. - 2]" 1
1244 1 76 PHE HA 1 76 PHE HB2 2.500 . 3.300 2.482 2.456 2.526 . 0 0 "[ . 1 . 2]" 1
1245 1 76 PHE HA 1 76 PHE HB3 2.900 . 3.900 3.027 3.024 3.030 . 0 0 "[ . 1 . 2]" 1
1246 1 76 PHE HA 1 76 PHE QD 2.400 . 3.100 2.094 2.029 2.165 . 0 0 "[ . 1 . 2]" 1
1247 1 77 GLY HA2 1 78 GLN H 3.700 . 5.500 2.886 2.743 3.045 . 0 0 "[ . 1 . 2]" 1
1248 1 78 GLN HA 1 78 GLN QG 2.600 . 3.500 2.694 2.354 3.317 . 0 0 "[ . 1 . 2]" 1
1249 1 78 GLN HA 1 78 GLN QB 2.000 . 2.500 2.349 2.163 2.401 . 0 0 "[ . 1 . 2]" 1
1250 1 78 GLN H 1 78 GLN HA 2.500 . 3.300 2.760 2.718 2.782 . 0 0 "[ . 1 . 2]" 1
1251 1 78 GLN HB2 1 78 GLN QG 2.500 . 3.300 2.279 2.159 2.382 . 0 0 "[ . 1 . 2]" 1
1252 1 78 GLN HA 1 78 GLN HB2 2.600 . 3.400 2.957 2.336 3.025 . 0 0 "[ . 1 . 2]" 1
1253 1 78 GLN H 1 78 GLN HB2 2.800 . 3.800 2.668 2.462 3.613 . 0 0 "[ . 1 . 2]" 1
1254 1 78 GLN HB3 1 78 GLN QG 2.400 . 3.100 2.341 2.280 2.367 . 0 0 "[ . 1 . 2]" 1
1255 1 78 GLN HA 1 78 GLN HB3 2.700 . 3.600 2.479 2.431 2.553 . 0 0 "[ . 1 . 2]" 1
1256 1 78 GLN H 1 78 GLN HB3 2.800 . 3.800 3.476 2.330 3.609 . 0 0 "[ . 1 . 2]" 1
1257 1 79 PHE HA 1 79 PHE HB3 2.600 . 3.400 2.537 2.503 2.568 . 0 0 "[ . 1 . 2]" 1
1258 1 79 PHE HA 1 79 PHE HB2 2.500 . 3.300 3.020 3.015 3.026 . 0 0 "[ . 1 . 2]" 1
1259 1 79 PHE HA 1 80 LEU H 2.800 . 3.800 3.539 3.511 3.549 . 0 0 "[ . 1 . 2]" 1
1260 1 79 PHE HA 1 79 PHE QD 2.500 . 3.300 3.024 2.782 3.163 . 0 0 "[ . 1 . 2]" 1
1261 1 79 PHE H 1 79 PHE HA 2.800 . 3.700 2.832 2.796 2.870 . 0 0 "[ . 1 . 2]" 1
1262 1 79 PHE HB2 1 79 PHE QD 2.900 . 4.000 2.678 2.616 2.748 . 0 0 "[ . 1 . 2]" 1
1263 1 79 PHE HB3 1 80 LEU H 3.700 . 5.400 3.495 3.351 3.621 . 0 0 "[ . 1 . 2]" 1
1264 1 80 LEU H 1 80 LEU HA 2.800 . 3.800 2.817 2.783 2.865 . 0 0 "[ . 1 . 2]" 1
1265 1 80 LEU HA 1 81 PRO QD 2.100 . 2.600 1.969 1.792 2.150 . 0 0 "[ . 1 . 2]" 1
1266 1 80 LEU HA 1 80 LEU QB 2.400 . 3.100 2.335 2.301 2.366 . 0 0 "[ . 1 . 2]" 1
1267 1 80 LEU HA 1 80 LEU QD 2.200 . 2.800 1.950 1.810 2.168 0.190 8 0 "[ . 1 . 2]" 1
1268 1 80 LEU QB 1 80 LEU HG 2.200 . 2.800 2.351 2.331 2.368 . 0 0 "[ . 1 . 2]" 1
1269 1 80 LEU QD 1 80 LEU HG 2.000 . 2.500 1.875 1.856 1.889 . 0 0 "[ . 1 . 2]" 1
1270 1 80 LEU HB3 1 80 LEU QD 2.400 . 3.100 2.110 2.065 2.173 . 0 0 "[ . 1 . 2]" 1
1271 1 80 LEU QD 2 2 ILE HG13 2.800 . 3.700 3.451 2.908 3.699 . 0 0 "[ . 1 . 2]" 1
1272 1 55 GLU HB3 1 80 LEU QD 2.500 . 3.300 2.650 1.992 4.148 0.848 10 1 "[ . + . 2]" 1
1273 1 55 GLU QG 1 80 LEU QD 2.500 . 3.300 2.749 1.754 3.291 . 0 0 "[ . 1 . 2]" 1
1274 1 59 PHE HB3 1 80 LEU QD 3.800 . 4.600 3.481 3.244 3.851 . 0 0 "[ . 1 . 2]" 1
1275 1 80 LEU QD 1 81 PRO QD 2.500 . 3.300 2.783 2.576 3.017 . 0 0 "[ . 1 . 2]" 1
1276 1 55 GLU HA 1 80 LEU QD 2.700 . 3.600 3.153 2.700 3.479 . 0 0 "[ . 1 . 2]" 1
1277 1 76 PHE QE 1 80 LEU QD 2.400 . 3.100 2.529 2.399 2.685 . 0 0 "[ . 1 . 2]" 1
1278 1 76 PHE QD 1 80 LEU QD 2.900 . 3.800 2.954 2.643 3.281 . 0 0 "[ . 1 . 2]" 1
1279 1 80 LEU QB 1 80 LEU QD 2.100 . 2.600 1.943 1.906 1.965 . 0 0 "[ . 1 . 2]" 1
1280 1 77 GLY HA2 1 80 LEU QD 3.500 . 5.100 3.951 3.523 4.715 . 0 0 "[ . 1 . 2]" 1
1281 1 81 PRO HA 1 82 GLU H 2.200 . 2.800 2.288 2.146 2.796 . 0 0 "[ . 1 . 2]" 1
1282 1 81 PRO HA 1 81 PRO HB3 2.200 . 2.800 2.282 2.259 2.317 . 0 0 "[ . 1 . 2]" 1
1283 1 81 PRO HA 1 81 PRO QD 2.900 . 4.000 3.360 3.157 3.468 . 0 0 "[ . 1 . 2]" 1
1284 1 81 PRO HB3 1 81 PRO QG 1.900 . 2.400 2.222 2.178 2.253 . 0 0 "[ . 1 . 2]" 1
1285 1 81 PRO HB2 1 81 PRO HD3 3.000 . 4.100 3.907 3.880 3.959 . 0 0 "[ . 1 . 2]" 1
1286 1 81 PRO HB2 1 82 GLU H 3.900 . 5.800 3.618 1.924 4.365 0.076 6 0 "[ . 1 . 2]" 1
1287 1 81 PRO HB2 1 81 PRO HG2 2.000 . 2.500 2.314 2.300 2.325 . 0 0 "[ . 1 . 2]" 1
1288 1 81 PRO QD 1 81 PRO HG2 2.100 . 2.600 2.134 2.128 2.137 . 0 0 "[ . 1 . 2]" 1
1289 1 81 PRO HA 1 81 PRO QG 2.700 . 3.600 3.332 2.906 3.511 . 0 0 "[ . 1 . 2]" 1
1290 1 81 PRO QG 1 82 GLU H 4.000 . 6.000 4.602 3.659 4.885 . 0 0 "[ . 1 . 2]" 1
1291 1 81 PRO HB3 1 81 PRO QD 2.400 . 3.100 3.113 2.861 3.542 0.442 11 0 "[ . 1 . 2]" 1
1292 1 80 LEU HB3 1 81 PRO HD2 2.500 . 3.300 2.641 1.971 3.294 . 0 0 "[ . 1 . 2]" 1
1293 1 82 GLU HA 1 82 GLU QB 2.200 . 2.800 2.337 2.179 2.397 . 0 0 "[ . 1 . 2]" 1
1294 1 82 GLU H 1 82 GLU HB2 2.700 . 3.600 2.979 2.439 3.594 . 0 0 "[ . 1 . 2]" 1
1295 1 82 GLU H 1 82 GLU HB3 2.600 . 3.500 3.097 2.411 3.623 0.123 7 0 "[ . 1 . 2]" 1
1296 1 5 VAL HA 1 8 ASN QB 2.500 . 3.300 3.241 2.896 3.385 0.085 10 0 "[ . 1 . 2]" 1
1297 1 6 GLU H 1 6 GLU HA 2.300 . 3.000 2.787 2.765 2.803 . 0 0 "[ . 1 . 2]" 1
1298 1 6 GLU HA 1 9 ASN HB2 2.800 . 3.800 2.466 2.299 3.666 . 0 0 "[ . 1 . 2]" 1
1299 1 6 GLU HA 1 6 GLU QG 2.000 . 2.500 2.456 2.437 2.490 . 0 0 "[ . 1 . 2]" 1
1300 1 6 GLU HA 1 9 ASN HB3 2.500 . 3.300 2.169 1.979 2.781 . 0 0 "[ . 1 . 2]" 1
1301 1 6 GLU HA 1 6 GLU QB 1.900 . 2.300 2.347 2.338 2.353 0.053 16 0 "[ . 1 . 2]" 1
1302 1 5 VAL MG1 1 6 GLU HG2 3.200 . 4.500 3.696 3.576 3.840 . 0 0 "[ . 1 . 2]" 1
1303 1 5 VAL MG1 1 9 ASN HB3 2.900 . 4.000 3.981 3.092 4.076 0.076 7 0 "[ . 1 . 2]" 1
1304 1 5 VAL MG1 1 9 ASN HB2 2.700 . 3.600 2.557 2.425 2.637 . 0 0 "[ . 1 . 2]" 1
1305 1 10 ALA HA 1 13 TYR HB2 3.300 . 4.700 3.463 3.257 3.720 . 0 0 "[ . 1 . 2]" 1
1306 1 12 SER HA 1 15 ASN HB2 2.600 . 3.400 3.298 3.112 3.441 0.041 13 0 "[ . 1 . 2]" 1
1307 1 16 LYS HA 1 19 THR HB 2.800 . 3.800 3.869 3.848 3.890 0.090 5 0 "[ . 1 . 2]" 1
1308 1 12 SER HA 1 13 TYR H 3.100 . 4.300 3.538 3.521 3.559 . 0 0 "[ . 1 . 2]" 1
1309 1 13 TYR HA 1 16 LYS H 3.500 . 5.100 3.780 3.541 3.990 . 0 0 "[ . 1 . 2]" 1
1310 1 16 LYS HA 1 19 THR H 3.200 . 4.500 3.530 3.344 3.715 . 0 0 "[ . 1 . 2]" 1
1311 1 15 ASN H 1 16 LYS HA 4.600 . 6.000 5.351 5.260 5.428 . 0 0 "[ . 1 . 2]" 1
1312 1 13 TYR HA 1 13 TYR HB3 2.400 . 3.100 3.027 3.023 3.030 . 0 0 "[ . 1 . 2]" 1
1313 1 13 TYR HB3 1 14 VAL H 3.500 . 5.100 2.270 2.200 2.396 . 0 0 "[ . 1 . 2]" 1
1314 1 15 ASN HB3 1 16 LYS H 2.900 . 3.900 2.307 2.067 2.636 . 0 0 "[ . 1 . 2]" 1
1315 1 11 ILE HG12 1 11 ILE MG 2.400 . 3.100 3.186 3.175 3.196 0.096 8 0 "[ . 1 . 2]" 1
1316 1 16 LYS QB 1 16 LYS HD2 2.100 . 2.600 2.262 2.159 2.698 0.098 16 0 "[ . 1 . 2]" 1
1317 1 16 LYS QB 1 16 LYS QE 3.100 . 4.300 3.006 1.907 3.666 . 0 0 "[ . 1 . 2]" 1
1318 1 17 ILE HG13 1 17 ILE MG 2.900 . 4.000 3.197 3.187 3.206 . 0 0 "[ . 1 . 2]" 1
1319 1 18 LYS QB 1 18 LYS HG2 2.800 . 3.800 2.349 2.295 2.399 . 0 0 "[ . 1 . 2]" 1
1320 1 18 LYS QB 1 18 LYS QD 2.800 . 3.600 2.309 2.256 2.334 . 0 0 "[ . 1 . 2]" 1
1321 1 18 LYS QB 1 18 LYS HG3 2.900 . 3.600 2.336 2.284 2.392 . 0 0 "[ . 1 . 2]" 1
1322 1 18 LYS QB 1 18 LYS HD2 3.100 . 3.900 2.727 2.298 3.302 . 0 0 "[ . 1 . 2]" 1
1323 1 18 LYS QB 1 18 LYS HD3 3.000 . 3.000 2.927 2.354 3.303 0.303 3 0 "[ . 1 . 2]" 1
1324 1 18 LYS QB 1 18 LYS QE 2.500 . 3.300 2.071 1.911 2.819 . 0 0 "[ . 1 . 2]" 1
1325 1 18 LYS QB 1 28 TYR QE 6.000 . 6.000 2.993 2.320 4.436 . 0 0 "[ . 1 . 2]" 1
1326 1 18 LYS HA 1 21 PHE H 3.800 . 5.600 3.747 3.494 4.009 . 0 0 "[ . 1 . 2]" 1
1327 1 21 PHE HA 1 21 PHE HB2 3.000 . 4.200 3.020 3.017 3.023 . 0 0 "[ . 1 . 2]" 1
1328 1 23 ASP HB2 1 24 HIS H 4.100 . 6.000 3.537 2.672 4.129 . 0 0 "[ . 1 . 2]" 1
1329 1 23 ASP HB3 1 24 HIS H 4.700 . 6.000 3.121 2.645 4.060 . 0 0 "[ . 1 . 2]" 1
1330 1 23 ASP HB3 1 24 HIS HD2 6.000 . 6.000 3.917 3.384 5.078 . 0 0 "[ . 1 . 2]" 1
1331 1 23 ASP HB2 1 24 HIS HD2 6.000 . 6.000 4.626 3.146 5.391 . 0 0 "[ . 1 . 2]" 1
1332 1 25 PRO HG2 1 26 GLU H 4.500 . 6.000 2.355 2.263 2.479 . 0 0 "[ . 1 . 2]" 1
1333 1 25 PRO HD2 1 25 PRO HG3 2.500 . 3.300 2.673 2.666 2.691 . 0 0 "[ . 1 . 2]" 1
1334 1 25 PRO HD2 1 25 PRO HG2 2.100 . 2.700 2.330 2.318 2.338 . 0 0 "[ . 1 . 2]" 1
1335 1 26 GLU HA 1 26 GLU HG2 2.800 . 3.800 3.730 3.663 3.749 . 0 0 "[ . 1 . 2]" 1
1336 1 26 GLU HG3 1 27 ILE HB 4.100 . 6.000 4.044 3.816 5.212 . 0 0 "[ . 1 . 2]" 1
1337 1 26 GLU HG2 1 27 ILE HB 4.500 . 6.000 4.274 3.788 4.410 . 0 0 "[ . 1 . 2]" 1
1338 1 27 ILE HA 1 30 SER QB 3.200 . 4.500 3.118 2.765 3.861 . 0 0 "[ . 1 . 2]" 1
1339 1 26 GLU HG2 1 27 ILE MD 3.600 . 5.200 3.300 2.256 3.813 . 0 0 "[ . 1 . 2]" 1
1340 1 26 GLU HG3 1 27 ILE MD 3.300 . 4.700 2.554 2.142 3.382 . 0 0 "[ . 1 . 2]" 1
1341 1 27 ILE MG 1 28 TYR HA 4.400 . 6.000 3.889 3.653 4.206 . 0 0 "[ . 1 . 2]" 1
1342 1 29 ARG H 1 29 ARG HD3 6.000 . 6.000 3.712 2.112 4.752 . 0 0 "[ . 1 . 2]" 1
1343 1 29 ARG H 1 29 ARG HD2 4.200 . 6.000 3.908 2.033 4.777 . 0 0 "[ . 1 . 2]" 1
1344 1 29 ARG QD 1 32 LEU MD1 4.000 . 6.000 3.106 2.503 4.701 . 0 0 "[ . 1 . 2]" 1
1345 1 28 TYR HA 1 31 PHE HB3 3.200 . 4.500 2.976 2.741 3.308 . 0 0 "[ . 1 . 2]" 1
1346 1 31 PHE HA 1 31 PHE HB2 2.800 . 3.800 2.396 2.383 2.415 . 0 0 "[ . 1 . 2]" 1
1347 1 31 PHE HB2 1 32 LEU H 4.900 . 6.000 3.855 3.798 3.930 . 0 0 "[ . 1 . 2]" 1
1348 1 31 PHE HA 1 34 ILE H 3.200 . 4.400 3.420 3.295 3.632 . 0 0 "[ . 1 . 2]" 1
1349 1 31 PHE HA 1 34 ILE HB 3.500 . 5.000 2.993 2.839 3.196 . 0 0 "[ . 1 . 2]" 1
1350 1 31 PHE HA 1 35 LEU H 4.700 . 6.000 4.499 4.404 4.890 . 0 0 "[ . 1 . 2]" 1
1351 1 32 LEU HA 1 35 LEU HG 4.100 . 6.000 3.949 3.589 4.214 . 0 0 "[ . 1 . 2]" 1
1352 1 32 LEU HA 1 35 LEU HB3 6.000 . 6.000 4.971 4.657 5.221 . 0 0 "[ . 1 . 2]" 1
1353 1 35 LEU HA 1 38 TYR HB2 4.100 . 6.000 3.445 3.065 4.041 . 0 0 "[ . 1 . 2]" 1
1354 1 35 LEU HA 1 38 TYR HB3 6.000 . 6.000 2.969 2.683 3.699 . 0 0 "[ . 1 . 2]" 1
1355 1 33 GLU HA 1 36 HIS HB3 2.300 . 2.900 3.007 2.970 3.046 0.146 5 0 "[ . 1 . 2]" 1
1356 1 33 GLU HA 1 36 HIS H 2.900 . 3.900 3.382 3.223 3.519 . 0 0 "[ . 1 . 2]" 1
1357 1 38 TYR HA 1 41 GLU H 5.300 . 6.000 4.057 3.761 4.470 . 0 0 "[ . 1 . 2]" 1
1358 1 38 TYR HB3 1 39 GLN H 4.900 . 6.000 2.288 2.147 2.791 . 0 0 "[ . 1 . 2]" 1
1359 1 48 ARG HB2 1 49 PRO HD3 4.500 . 6.000 4.986 4.915 5.079 . 0 0 "[ . 1 . 2]" 1
1360 1 48 ARG HB3 1 49 PRO HD3 3.900 . 5.800 3.938 3.783 4.120 . 0 0 "[ . 1 . 2]" 1
1361 1 48 ARG HG3 1 49 PRO HD2 4.600 . 6.000 4.607 4.301 4.819 . 0 0 "[ . 1 . 2]" 1
1362 1 48 ARG HG3 1 49 PRO HD3 4.500 . 6.000 5.480 5.290 5.683 . 0 0 "[ . 1 . 2]" 1
1363 1 48 ARG QD 1 49 PRO HD2 4.900 . 6.000 4.356 4.049 4.862 . 0 0 "[ . 1 . 2]" 1
1364 1 48 ARG QD 1 49 PRO HD3 5.900 . 6.000 5.709 5.455 6.028 0.028 13 0 "[ . 1 . 2]" 1
1365 1 49 PRO HA 1 50 PHE QB 3.000 . 4.100 4.108 3.869 4.350 0.250 9 0 "[ . 1 . 2]" 1
1366 1 51 ARG HA 1 51 ARG QG 2.200 . 2.800 2.527 2.280 2.875 0.075 14 0 "[ . 1 . 2]" 1
1367 1 51 ARG HB3 1 51 ARG QG 1.900 . 2.300 2.303 2.152 2.364 0.064 15 0 "[ . 1 . 2]" 1
1368 1 51 ARG HB2 1 51 ARG QG 1.900 . 2.400 2.303 2.154 2.362 . 0 0 "[ . 1 . 2]" 1
1369 1 51 ARG H 1 51 ARG QD 4.400 . 6.000 4.303 1.930 5.443 . 0 0 "[ . 1 . 2]" 1
1370 1 53 MET H 1 53 MET HG2 4.800 . 6.000 4.546 4.137 5.196 . 0 0 "[ . 1 . 2]" 1
1371 1 53 MET H 1 53 MET HG3 4.500 . 6.000 4.645 4.358 4.837 . 0 0 "[ . 1 . 2]" 1
1372 1 38 TYR QD 1 53 MET HB3 4.900 . 6.000 3.980 3.035 4.565 . 0 0 "[ . 1 . 2]" 1
1373 1 53 MET HB3 1 54 SER H 5.500 . 6.000 3.955 3.732 4.242 . 0 0 "[ . 1 . 2]" 1
1374 1 38 TYR QD 1 53 MET HB2 4.600 . 6.000 5.204 4.506 5.737 . 0 0 "[ . 1 . 2]" 1
1375 1 54 SER HB3 1 56 GLU H 4.500 . 6.000 3.958 2.702 4.620 . 0 0 "[ . 1 . 2]" 1
1376 1 56 GLU HA 1 57 GLU H 6.000 . 6.000 3.572 3.557 3.583 . 0 0 "[ . 1 . 2]" 1
1377 1 58 VAL HA 1 61 GLU H 3.000 . 4.100 3.621 3.425 3.861 . 0 0 "[ . 1 . 2]" 1
1378 1 60 THR H 1 60 THR HB 2.300 . 3.000 2.481 2.349 2.537 . 0 0 "[ . 1 . 2]" 1
1379 1 27 ILE MG 1 65 LEU HA 3.900 . 5.800 4.088 3.796 4.416 . 0 0 "[ . 1 . 2]" 1
1380 1 62 VAL MG1 1 65 LEU HA 5.500 . 6.000 5.955 5.824 6.056 0.056 15 0 "[ . 1 . 2]" 1
1381 1 62 VAL HA 1 65 LEU HB2 2.600 . 3.500 2.536 2.426 2.671 . 0 0 "[ . 1 . 2]" 1
1382 1 62 VAL HA 1 65 LEU HB3 4.100 . 6.000 3.933 3.665 4.172 . 0 0 "[ . 1 . 2]" 1
1383 1 62 VAL HA 1 65 LEU HG 5.200 . 6.000 4.295 4.065 4.489 . 0 0 "[ . 1 . 2]" 1
1384 1 62 VAL MG1 1 65 LEU MD2 4.000 . 6.000 5.339 5.147 5.471 . 0 0 "[ . 1 . 2]" 1
1385 1 31 PHE H 1 62 VAL HA 4.100 . 6.000 6.051 6.011 6.092 0.092 16 0 "[ . 1 . 2]" 1
1386 1 63 ALA HA 1 66 PHE H 3.800 . 5.600 3.786 3.555 3.922 . 0 0 "[ . 1 . 2]" 1
1387 1 65 LEU HA 1 67 ARG H 4.100 . 6.000 3.747 3.667 3.823 . 0 0 "[ . 1 . 2]" 1
1388 1 67 ARG HA 1 67 ARG HD2 4.200 . 6.000 4.013 2.019 4.873 . 0 0 "[ . 1 . 2]" 1
1389 1 67 ARG HA 1 67 ARG HD3 3.700 . 5.400 4.199 2.919 4.897 . 0 0 "[ . 1 . 2]" 1
1390 1 64 ASN HA 1 67 ARG QD 3.800 . 5.600 4.387 3.199 5.554 . 0 0 "[ . 1 . 2]" 1
1391 1 67 ARG H 1 67 ARG HD2 6.000 . 6.000 5.130 4.467 5.951 . 0 0 "[ . 1 . 2]" 1
1392 1 67 ARG H 1 67 ARG HD3 6.000 . 6.000 5.128 4.565 5.953 . 0 0 "[ . 1 . 2]" 1
1393 1 67 ARG HD2 1 68 GLY H 5.900 . 6.000 4.484 2.085 5.594 . 0 0 "[ . 1 . 2]" 1
1394 1 67 ARG HB3 1 68 GLY H 5.900 . 6.000 4.141 4.062 4.296 . 0 0 "[ . 1 . 2]" 1
1395 1 70 GLU HA 1 73 LEU HB3 3.600 . 5.200 2.943 2.055 3.514 . 0 0 "[ . 1 . 2]" 1
1396 1 70 GLU HA 1 73 LEU HG 5.200 . 6.000 3.385 3.128 3.962 . 0 0 "[ . 1 . 2]" 1
1397 1 70 GLU HA 1 74 SER H 6.000 . 6.000 4.133 3.779 4.356 . 0 0 "[ . 1 . 2]" 1
1398 1 71 ASP HA 1 74 SER QB 2.800 . 3.800 3.343 3.057 3.561 . 0 0 "[ . 1 . 2]" 1
1399 1 71 ASP HA 1 74 SER H 3.500 . 5.000 3.759 3.628 3.893 . 0 0 "[ . 1 . 2]" 1
1400 1 72 LEU HA 1 72 LEU HG 4.100 . 6.000 3.043 2.910 3.150 . 0 0 "[ . 1 . 2]" 1
1401 1 72 LEU H 1 72 LEU HB3 4.400 . 6.000 3.585 3.567 3.599 . 0 0 "[ . 1 . 2]" 1
1402 1 72 LEU HA 1 75 GLU HB2 3.000 . 4.100 3.411 3.141 3.671 . 0 0 "[ . 1 . 2]" 1
1403 1 73 LEU HA 1 74 SER H 4.400 . 6.000 3.518 3.494 3.532 . 0 0 "[ . 1 . 2]" 1
1404 1 73 LEU HA 1 76 PHE HB3 3.400 . 4.900 2.739 2.451 2.982 . 0 0 "[ . 1 . 2]" 1
1405 1 73 LEU HA 1 76 PHE HB2 3.000 . 4.100 3.272 2.857 3.905 . 0 0 "[ . 1 . 2]" 1
1406 1 73 LEU MD1 1 74 SER H 4.400 . 6.000 4.260 4.107 4.558 . 0 0 "[ . 1 . 2]" 1
1407 1 73 LEU HA 1 76 PHE H 3.800 . 5.600 3.343 3.145 3.599 . 0 0 "[ . 1 . 2]" 1
1408 1 71 ASP HB3 1 74 SER QB 3.700 . 5.400 5.410 4.947 5.688 0.288 3 0 "[ . 1 . 2]" 1
1409 1 74 SER QB 1 75 GLU HG3 3.600 . 5.200 3.573 2.975 4.992 . 0 0 "[ . 1 . 2]" 1
1410 1 74 SER H 1 74 SER QB 2.000 . 2.500 2.261 2.226 2.446 . 0 0 "[ . 1 . 2]" 1
1411 1 74 SER QB 1 75 GLU H 2.100 . 2.600 2.554 2.498 2.578 . 0 0 "[ . 1 . 2]" 1
1412 1 75 GLU HA 1 76 PHE H 3.700 . 5.400 3.540 3.514 3.561 . 0 0 "[ . 1 . 2]" 1
1413 1 13 TYR QD 1 75 GLU HG3 4.000 . 6.000 4.178 2.921 4.741 . 0 0 "[ . 1 . 2]" 1
1414 1 78 GLN HA 1 80 LEU H 4.100 . 6.000 4.625 4.446 4.770 . 0 0 "[ . 1 . 2]" 1
1415 1 77 GLY HA3 1 80 LEU QD 4.200 . 6.000 2.584 2.152 3.270 . 0 0 "[ . 1 . 2]" 1
1416 1 81 PRO HB3 1 82 GLU H 5.900 . 6.000 3.824 2.639 4.682 . 0 0 "[ . 1 . 2]" 1
1417 1 52 GLY HA3 1 53 MET HB2 3.000 . 4.200 4.539 4.177 5.068 0.868 15 6 "[ *. * 1 +* *-]" 1
1418 1 52 GLY HA3 1 53 MET H 2.400 . 3.100 2.891 2.080 3.509 0.409 18 0 "[ . 1 . 2]" 1
1419 1 73 LEU HA 1 73 LEU HB2 2.800 . 3.800 2.780 2.497 2.914 . 0 0 "[ . 1 . 2]" 1
1420 1 64 ASN QB 1 64 ASN HD21 2.400 . 3.100 2.096 2.041 2.119 . 0 0 "[ . 1 . 2]" 1
1421 1 38 TYR HA 1 38 TYR QE 4.600 . 6.000 4.648 4.567 4.909 . 0 0 "[ . 1 . 2]" 1
1422 1 39 GLN HE21 1 39 GLN HG3 3.700 . 5.400 2.842 2.076 3.330 . 0 0 "[ . 1 . 2]" 1
1423 1 39 GLN HE21 1 39 GLN HG2 3.800 . 5.600 3.239 2.129 3.394 . 0 0 "[ . 1 . 2]" 1
1424 1 38 TYR HA 1 58 VAL MG2 3.400 . 4.900 3.568 3.225 3.779 . 0 0 "[ . 1 . 2]" 1
1425 1 27 ILE MG 1 66 PHE HZ 5.200 . 6.000 4.228 3.951 4.582 . 0 0 "[ . 1 . 2]" 1
1426 1 28 TYR QE 1 29 ARG HA 6.000 . 6.000 5.101 4.814 5.486 . 0 0 "[ . 1 . 2]" 1
1427 1 28 TYR QE 1 29 ARG HG2 5.900 . 6.000 5.780 5.303 6.891 0.891 6 3 "[ .+ *1 . - 2]" 1
1428 1 39 GLN HA 1 42 GLN HE22 4.200 . 6.000 3.512 2.885 4.413 . 0 0 "[ . 1 . 2]" 1
1429 1 38 TYR QE 1 53 MET HG2 6.000 . 6.000 4.620 4.016 5.754 . 0 0 "[ . 1 . 2]" 1
1430 1 38 TYR QE 1 53 MET ME 4.800 . 6.000 5.265 4.979 5.525 . 0 0 "[ . 1 . 2]" 1
1431 1 31 PHE QD 1 32 LEU HG 3.800 . 5.600 3.243 3.039 3.408 . 0 0 "[ . 1 . 2]" 1
1432 1 66 PHE QD 1 73 LEU HG 5.900 . 6.000 5.077 4.767 5.463 . 0 0 "[ . 1 . 2]" 1
1433 1 73 LEU HA 1 76 PHE QD 5.000 . 6.000 3.846 3.519 4.097 . 0 0 "[ . 1 . 2]" 1
1434 1 5 VAL MG2 1 6 GLU QG 3.300 . 4.600 4.579 4.493 4.643 0.043 10 0 "[ . 1 . 2]" 1
1435 1 10 ALA MB 2 8 ALA H 5.100 . 6.000 4.107 3.614 4.365 . 0 0 "[ . 1 . 2]" 1
1436 1 10 ALA MB 2 5 LEU H 5.200 . 6.000 3.681 3.263 4.003 . 0 0 "[ . 1 . 2]" 1
1437 1 10 ALA MB 2 8 ALA MB 2.100 . 2.600 2.371 2.114 2.582 . 0 0 "[ . 1 . 2]" 1
1438 1 10 ALA MB 1 11 ILE HG12 2.900 . 3.900 3.580 3.430 3.726 . 0 0 "[ . 1 . 2]" 1
1439 1 10 ALA MB 1 11 ILE HG13 5.900 . 6.000 5.048 4.924 5.185 . 0 0 "[ . 1 . 2]" 1
1440 1 11 ILE MG 2 8 ALA MB 2.800 . 3.800 3.432 3.182 3.707 . 0 0 "[ . 1 . 2]" 1
1441 1 11 ILE MG 1 14 VAL HB 2.700 . 3.600 3.664 3.635 3.703 0.103 12 0 "[ . 1 . 2]" 1
1442 1 11 ILE MD 2 8 ALA MB 2.600 . 3.400 1.886 1.794 1.965 0.006 18 0 "[ . 1 . 2]" 1
1443 1 10 ALA MB 1 11 ILE MD 3.500 . 5.100 3.442 3.324 3.591 . 0 0 "[ . 1 . 2]" 1
1444 1 11 ILE MD 1 14 VAL HB 3.300 . 4.600 4.067 3.866 4.272 . 0 0 "[ . 1 . 2]" 1
1445 1 11 ILE HG13 2 11 TYR QD 5.400 . 6.000 3.307 2.968 3.833 . 0 0 "[ . 1 . 2]" 1
1446 1 11 ILE HG12 2 8 ALA HA 4.200 . 6.000 4.478 4.189 4.706 . 0 0 "[ . 1 . 2]" 1
1447 1 13 TYR HB2 2 5 LEU QD 6.000 . 6.000 3.304 3.013 3.575 . 0 0 "[ . 1 . 2]" 1
1448 1 14 VAL QG 2 9 ALA H 3.300 . 4.600 2.855 2.645 3.207 . 0 0 "[ . 1 . 2]" 1
1449 1 14 VAL QG 2 8 ALA H 5.100 . 6.000 3.955 3.760 4.250 . 0 0 "[ . 1 . 2]" 1
1450 1 14 VAL QG 1 32 LEU MD2 3.600 . 5.200 2.575 2.179 3.030 . 0 0 "[ . 1 . 2]" 1
1451 1 29 ARG HA 1 32 LEU MD2 4.700 . 6.000 4.680 4.358 5.075 . 0 0 "[ . 1 . 2]" 1
1452 1 35 LEU QD 2 5 LEU QD . . 3.100 2.262 1.724 2.771 0.276 12 0 "[ . 1 . 2]" 1
1453 1 35 LEU QD 2 2 ILE HG13 2.800 . 3.800 3.722 3.437 3.798 . 0 0 "[ . 1 . 2]" 1
1454 1 79 PHE HB2 2 5 LEU QD 4.200 . 6.000 3.622 2.748 4.638 . 0 0 "[ . 1 . 2]" 1
1455 1 79 PHE HB3 2 5 LEU QD 5.200 . 6.000 4.063 3.009 5.627 . 0 0 "[ . 1 . 2]" 1
1456 1 7 PHE QD 1 11 ILE MD 2.600 . 3.500 3.517 3.437 3.548 0.048 5 0 "[ . 1 . 2]" 1
1457 1 66 PHE HZ 1 72 LEU MD1 6.000 . 6.000 3.748 3.315 4.525 . 0 0 "[ . 1 . 2]" 1
1458 1 66 PHE HB2 1 72 LEU MD1 4.300 . 6.000 4.835 4.168 5.427 . 0 0 "[ . 1 . 2]" 1
1459 1 69 GLN QG 1 72 LEU MD1 3.400 . 4.800 4.126 3.145 4.831 0.031 1 0 "[ . 1 . 2]" 1
1460 1 11 ILE HA 2 12 LEU QD 2.800 . 3.800 3.281 2.529 3.536 . 0 0 "[ . 1 . 2]" 1
1461 1 32 LEU MD2 2 9 ALA H 6.000 . 6.000 4.184 3.986 4.384 . 0 0 "[ . 1 . 2]" 1
1462 1 34 ILE MD 1 62 VAL MG1 4.200 . 6.000 3.430 3.215 3.537 . 0 0 "[ . 1 . 2]" 1
1463 1 35 LEU HB3 2 2 ILE MG 4.300 . 6.000 2.767 2.418 3.082 . 0 0 "[ . 1 . 2]" 1
1464 1 39 GLN QG 2 2 ILE MG 3.300 . 4.600 3.592 2.468 4.627 0.027 7 0 "[ . 1 . 2]" 1
1465 1 61 GLU H 1 64 ASN QB 3.400 . 4.800 4.900 4.839 4.991 0.191 19 0 "[ . 1 . 2]" 1
1466 1 16 LYS H 1 16 LYS QD 4.100 . 6.000 4.426 3.805 4.720 . 0 0 "[ . 1 . 2]" 1
1467 1 18 LYS H 1 18 LYS QD 6.000 . 6.000 4.565 3.794 4.729 . 0 0 "[ . 1 . 2]" 1
1468 1 18 LYS H 1 18 LYS QE 6.000 . 6.000 4.352 4.040 5.132 . 0 0 "[ . 1 . 2]" 1
1469 1 19 THR MG 1 20 ARG H 2.300 . 3.000 2.086 1.884 2.304 . 0 0 "[ . 1 . 2]" 1
1470 1 25 PRO HB3 1 26 GLU H 5.900 . 6.000 4.118 4.077 4.175 . 0 0 "[ . 1 . 2]" 1
1471 1 27 ILE MG 1 69 GLN QE 4.300 . 6.000 4.306 3.928 4.560 . 0 0 "[ . 1 . 2]" 1
1472 1 27 ILE MD 1 69 GLN QE 3.500 . 5.000 4.568 4.214 4.856 . 0 0 "[ . 1 . 2]" 1
1473 1 24 HIS H 1 27 ILE MD 3.700 . 5.400 5.423 5.324 5.483 0.083 5 0 "[ . 1 . 2]" 1
1474 1 31 PHE QD 1 32 LEU MD1 3.100 . 4.300 4.356 4.315 4.379 0.079 4 0 "[ . 1 . 2]" 1
1475 1 9 ASN HB3 1 10 ALA MB 3.700 . 5.400 3.792 3.676 4.011 . 0 0 "[ . 1 . 2]" 1
1476 1 35 LEU QD 2 6 LEU HA 3.200 . 4.500 2.437 1.948 3.742 . 0 0 "[ . 1 . 2]" 1
1477 1 22 LEU HB2 1 22 LEU MD1 1.900 . 2.400 1.940 1.906 1.978 . 0 0 "[ . 1 . 2]" 1
1478 1 24 HIS HA 1 24 HIS HD2 3.400 . 4.900 4.159 2.322 4.691 . 0 0 "[ . 1 . 2]" 1
1479 1 24 HIS HB2 1 24 HIS HD2 2.800 . 3.800 2.965 2.686 3.813 0.013 8 0 "[ . 1 . 2]" 1
1480 1 24 HIS HB3 1 24 HIS HD2 2.500 . 3.300 3.596 2.702 3.709 0.409 19 0 "[ . 1 . 2]" 1
1481 1 23 ASP QB 1 24 HIS HD2 2.700 . 3.600 3.468 3.033 3.604 0.004 5 0 "[ . 1 . 2]" 1
1482 1 24 HIS HD2 1 27 ILE MD 3.200 . 4.500 4.507 4.397 4.680 0.180 15 0 "[ . 1 . 2]" 1
1483 1 23 ASP H 1 24 HIS HD2 3.500 . 5.000 5.014 4.836 5.095 0.095 15 0 "[ . 1 . 2]" 1
1484 1 36 HIS H 1 36 HIS HD2 3.200 . 4.400 3.880 3.689 4.161 . 0 0 "[ . 1 . 2]" 1
1485 1 36 HIS HA 1 36 HIS HD2 3.500 . 5.100 4.319 4.204 4.467 . 0 0 "[ . 1 . 2]" 1
1486 1 33 GLU HA 1 36 HIS HD2 3.000 . 4.100 3.218 2.732 3.747 . 0 0 "[ . 1 . 2]" 1
1487 1 36 HIS HB2 1 36 HIS HD2 2.800 . 3.800 2.680 2.671 2.688 . 0 0 "[ . 1 . 2]" 1
1488 1 36 HIS HB3 1 36 HIS HD2 2.700 . 3.600 3.637 3.617 3.658 0.058 16 0 "[ . 1 . 2]" 1
1489 1 32 LEU HB3 1 36 HIS HD2 3.000 . 4.100 2.775 2.234 3.361 . 0 0 "[ . 1 . 2]" 1
1490 1 32 LEU HB2 1 36 HIS HD2 3.100 . 4.300 3.604 2.947 4.307 0.007 11 0 "[ . 1 . 2]" 1
1491 1 36 HIS HD2 2 6 LEU QD 2.500 . 3.600 3.253 2.813 3.580 . 0 0 "[ . 1 . 2]" 1
1492 1 36 HIS HE1 1 40 LYS QG 4.000 . 6.000 5.754 4.016 6.033 0.033 14 0 "[ . 1 . 2]" 1
1493 1 36 HIS HE1 2 6 LEU QD 2.800 . 3.800 3.464 3.102 3.778 . 0 0 "[ . 1 . 2]" 1
1494 1 44 HIS HA 1 44 HIS HD2 3.200 . 4.500 3.344 2.357 4.619 0.119 17 0 "[ . 1 . 2]" 1
1495 1 43 LEU HA 1 44 HIS HD2 3.400 . 4.900 4.437 2.742 4.978 0.078 10 0 "[ . 1 . 2]" 1
1496 1 43 LEU HB2 1 44 HIS HD2 3.100 . 4.300 3.522 2.582 5.259 0.959 16 1 "[ . 1 .+ 2]" 1
1497 1 13 TYR H 1 13 TYR QD 3.100 . 6.000 4.187 4.158 4.206 . 0 0 "[ . 1 . 2]" 1
1498 1 13 TYR HB2 1 13 TYR QD 2.400 . 3.100 2.702 2.667 2.747 . 0 0 "[ . 1 . 2]" 1
1499 1 13 TYR HB3 1 13 TYR QD 2.300 . 3.000 2.292 2.280 2.315 . 0 0 "[ . 1 . 2]" 1
1500 1 13 TYR QD 1 75 GLU HB2 2.600 . 3.500 2.940 2.611 3.195 . 0 0 "[ . 1 . 2]" 1
1501 1 13 TYR QD 1 75 GLU HB3 2.600 . 3.400 3.236 2.969 3.434 0.034 20 0 "[ . 1 . 2]" 1
1502 1 13 TYR QD 1 16 LYS QD 3.000 . 4.100 3.936 3.502 4.109 0.009 8 0 "[ . 1 . 2]" 1
1503 1 13 TYR QD 1 14 VAL QG 2.800 . 3.800 3.110 2.839 3.534 . 0 0 "[ . 1 . 2]" 1
1504 1 13 TYR QD 2 5 LEU QD 2.800 . 3.000 1.793 1.550 2.131 0.250 10 0 "[ . 1 . 2]" 1
1505 1 13 TYR QE 1 66 PHE QR 3.000 . 4.100 3.345 2.986 3.841 . 0 0 "[ . 1 . 2]" 1
1506 1 13 TYR QE 1 76 PHE QD 2.900 . 6.000 2.932 2.504 3.321 . 0 0 "[ . 1 . 2]" 1
1507 1 13 TYR QE 1 75 GLU HB2 2.600 . 3.500 2.370 2.116 2.597 . 0 0 "[ . 1 . 2]" 1
1508 1 13 TYR QE 1 75 GLU HB3 2.800 . 3.800 3.768 3.547 3.838 0.038 9 0 "[ . 1 . 2]" 1
1509 1 13 TYR QE 1 72 LEU HB3 3.400 . 4.900 2.330 1.983 2.802 . 0 0 "[ . 1 . 2]" 1
1510 1 13 TYR QE 2 5 LEU QD 3.400 . 4.500 2.488 2.214 3.054 . 0 0 "[ . 1 . 2]" 1
1511 1 13 TYR QE 1 17 ILE MD 3.100 . 4.300 2.747 2.636 2.946 . 0 0 "[ . 1 . 2]" 1
1512 1 28 TYR QD 1 29 ARG H 2.800 . 3.700 3.636 3.488 3.751 0.051 1 0 "[ . 1 . 2]" 1
1513 1 28 TYR QD 1 29 ARG HA 3.900 . 5.800 3.875 3.598 4.277 . 0 0 "[ . 1 . 2]" 1
1514 1 28 TYR HB3 1 28 TYR QD 2.200 . 2.800 2.285 2.276 2.300 . 0 0 "[ . 1 . 2]" 1
1515 1 28 TYR HB2 1 28 TYR QD 2.000 . 2.500 2.603 2.537 2.739 0.239 2 0 "[ . 1 . 2]" 1
1516 1 17 ILE HB 1 28 TYR QD 3.000 . 4.100 3.356 2.868 3.731 . 0 0 "[ . 1 . 2]" 1
1517 1 28 TYR QD 1 29 ARG HG2 3.300 . 4.700 3.803 3.297 5.152 0.452 6 0 "[ . 1 . 2]" 1
1518 1 17 ILE MG 1 28 TYR QD 2.100 . 2.600 2.119 1.654 2.585 . 0 0 "[ . 1 . 2]" 1
1519 1 28 TYR QD 1 32 LEU MD1 2.700 . 3.600 3.011 2.818 3.284 . 0 0 "[ . 1 . 2]" 1
1520 1 18 LYS QE 1 28 TYR QE 3.000 . 4.100 3.467 2.542 4.173 0.073 19 0 "[ . 1 . 2]" 1
1521 1 14 VAL QG 1 28 TYR QE 2.300 . 3.000 1.925 1.655 2.389 . 0 0 "[ . 1 . 2]" 1
1522 1 17 ILE MG 1 28 TYR QE 2.900 . 3.900 3.454 3.184 3.872 . 0 0 "[ . 1 . 2]" 1
1523 1 28 TYR QE 1 32 LEU MD1 2.400 . 3.100 2.552 2.284 2.937 . 0 0 "[ . 1 . 2]" 1
1524 1 38 TYR QD 1 39 GLN H 2.900 . 4.000 3.002 2.823 3.251 . 0 0 "[ . 1 . 2]" 1
1525 1 38 TYR HA 1 38 TYR QD 2.400 . 3.100 2.571 2.449 2.909 . 0 0 "[ . 1 . 2]" 1
1526 1 38 TYR QD 1 39 GLN HA 2.700 . 3.600 3.581 3.427 3.646 0.046 16 0 "[ . 1 . 2]" 1
1527 1 38 TYR QB 1 38 TYR QD 2.100 . 2.700 2.134 2.122 2.144 . 0 0 "[ . 1 . 2]" 1
1528 1 38 TYR QD 1 53 MET HG3 3.200 . 4.400 4.000 2.201 4.558 0.158 3 0 "[ . 1 . 2]" 1
1529 1 38 TYR QD 1 39 GLN QG 3.200 . 6.000 2.700 2.024 5.283 . 0 0 "[ . 1 . 2]" 1
1530 1 38 TYR QD 2 2 ILE MG 2.600 . 3.400 2.442 1.794 3.126 0.006 11 0 "[ . 1 . 2]" 1
1531 1 38 TYR QD 1 58 VAL MG2 2.300 . 3.000 2.824 2.538 3.028 0.028 10 0 "[ . 1 . 2]" 1
1532 1 38 TYR QD 2 6 LEU QD 2.600 . 3.500 3.501 3.389 3.563 0.063 14 0 "[ . 1 . 2]" 1
1533 1 38 TYR QE 1 39 GLN HA 3.100 . 4.300 4.318 4.129 4.403 0.103 14 0 "[ . 1 . 2]" 1
1534 1 38 TYR QE 2 2 ILE HG13 4.400 . 6.000 3.940 2.572 5.143 . 0 0 "[ . 1 . 2]" 1
1535 1 38 TYR QE 2 2 ILE MG 3.200 . 4.500 3.265 2.818 4.050 . 0 0 "[ . 1 . 2]" 1
1536 1 38 TYR QE 1 58 VAL MG2 2.800 . 6.000 4.032 3.640 4.398 . 0 0 "[ . 1 . 2]" 1
1537 1 38 TYR QE 2 6 LEU QD 3.000 . 6.000 4.790 3.997 5.076 . 0 0 "[ . 1 . 2]" 1
1538 1 7 PHE QD 1 8 ASN H 3.700 . 5.400 3.678 3.424 3.847 . 0 0 "[ . 1 . 2]" 1
1539 1 7 PHE H 1 7 PHE QD 3.300 . 4.700 4.182 4.167 4.191 . 0 0 "[ . 1 . 2]" 1
1540 1 7 PHE HB2 1 7 PHE QD 2.400 . 3.100 2.736 2.717 2.753 . 0 0 "[ . 1 . 2]" 1
1541 1 7 PHE QD 2 7 GLU QG 3.400 . 4.800 4.635 4.079 4.819 0.019 9 0 "[ . 1 . 2]" 1
1542 1 7 PHE QD 1 10 ALA MB 3.200 . 4.500 3.646 3.399 3.825 . 0 0 "[ . 1 . 2]" 1
1543 1 21 PHE HA 1 21 PHE QD 2.400 . 3.100 3.100 3.027 3.163 0.063 16 0 "[ . 1 . 2]" 1
1544 1 21 PHE QD 1 24 HIS HB2 3.400 . 4.900 2.380 1.882 3.549 0.018 15 0 "[ . 1 . 2]" 1
1545 1 21 PHE QD 1 27 ILE HG13 3.000 . 4.100 1.842 1.808 1.880 0.092 14 0 "[ . 1 . 2]" 1
1546 1 21 PHE HB3 1 21 PHE QE 4.500 . 6.000 4.378 4.370 4.391 . 0 0 "[ . 1 . 2]" 1
1547 1 21 PHE QE 1 69 GLN QG 4.100 . 6.000 3.703 2.444 4.942 . 0 0 "[ . 1 . 2]" 1
1548 1 17 ILE MG 1 21 PHE QE 2.600 . 6.000 3.279 2.832 3.754 . 0 0 "[ . 1 . 2]" 1
1549 1 20 ARG HG2 1 21 PHE QE 3.100 . 6.000 2.927 2.731 3.134 . 0 0 "[ . 1 . 2]" 1
1550 1 31 PHE H 1 31 PHE QD 3.400 . 4.800 4.176 4.165 4.187 . 0 0 "[ . 1 . 2]" 1
1551 1 62 VAL MG1 1 66 PHE QE 4.000 . 6.000 3.152 2.769 3.565 . 0 0 "[ . 1 . 2]" 1
1552 1 66 PHE HA 1 66 PHE QD 2.500 . 3.300 2.200 2.021 2.353 . 0 0 "[ . 1 . 2]" 1
1553 1 66 PHE HB2 1 66 PHE QD 3.300 . 4.600 2.593 2.477 2.696 . 0 0 "[ . 1 . 2]" 1
1554 1 66 PHE HB3 1 66 PHE QD 2.800 . 3.800 2.602 2.472 2.708 . 0 0 "[ . 1 . 2]" 1
1555 1 66 PHE QD 1 72 LEU HB3 3.200 . 4.500 3.167 2.627 3.634 . 0 0 "[ . 1 . 2]" 1
1556 1 65 LEU HB3 1 66 PHE QD 4.000 . 6.000 2.224 1.991 2.576 0.009 4 0 "[ . 1 . 2]" 1
1557 1 27 ILE MG 1 66 PHE QD 3.100 . 4.300 2.814 2.335 3.322 . 0 0 "[ . 1 . 2]" 1
1558 1 76 PHE HB2 1 76 PHE QD 2.500 . 3.300 2.728 2.702 2.746 . 0 0 "[ . 1 . 2]" 1
1559 1 76 PHE HB3 1 76 PHE QD 2.500 . 3.300 2.288 2.267 2.307 . 0 0 "[ . 1 . 2]" 1
1560 1 76 PHE QD 2 5 LEU QD 2.500 . 3.300 2.414 2.043 3.052 . 0 0 "[ . 1 . 2]" 1
1561 1 76 PHE QD 2 2 ILE MD 3.300 . 4.700 3.973 3.625 4.499 . 0 0 "[ . 1 . 2]" 1
1562 1 76 PHE QE 2 5 LEU QD 2.300 . 3.000 2.465 2.074 2.907 . 0 0 "[ . 1 . 2]" 1
1563 1 76 PHE QE 2 2 ILE MD 2.400 . 3.100 2.365 2.039 3.036 . 0 0 "[ . 1 . 2]" 1
1564 1 76 PHE HZ 2 2 ILE MD 2.600 . 3.500 2.865 2.317 3.460 . 0 0 "[ . 1 . 2]" 1
1565 1 79 PHE QD 2 1 ASN HA 4.300 . 6.000 3.807 2.272 5.626 . 0 0 "[ . 1 . 2]" 1
1566 1 79 PHE HB3 1 79 PHE QD 2.500 . 3.300 2.265 2.256 2.305 . 0 0 "[ . 1 . 2]" 1
1567 2 4 MET HA 2 8 ALA H 4.400 . 6.000 4.033 3.643 4.245 . 0 0 "[ . 1 . 2]" 1
1568 2 8 ALA H 2 8 ALA HA 2.800 . 3.800 2.781 2.750 2.806 . 0 0 "[ . 1 . 2]" 1
1569 2 7 GLU HB3 2 8 ALA H 2.900 . 3.900 2.701 2.592 2.795 . 0 0 "[ . 1 . 2]" 1
1570 2 8 ALA H 2 8 ALA MB 2.300 . 3.000 2.154 2.048 2.225 . 0 0 "[ . 1 . 2]" 1
1571 2 7 GLU HA 2 8 ALA H 3.400 . 4.800 3.507 3.487 3.521 . 0 0 "[ . 1 . 2]" 1
1572 2 1 ASN HB3 2 2 ILE H 3.100 . 4.300 3.662 1.876 4.582 0.282 8 0 "[ . 1 . 2]" 1
1573 2 2 ILE H 2 2 ILE HA 3.000 . 4.100 2.702 2.258 2.861 . 0 0 "[ . 1 . 2]" 1
1574 2 1 ASN HB2 2 2 ILE H 3.300 . 4.700 2.996 1.827 4.402 0.073 19 0 "[ . 1 . 2]" 1
1575 2 2 ILE H 2 2 ILE HB 2.600 . 3.400 2.716 2.451 3.574 0.174 20 0 "[ . 1 . 2]" 1
1576 2 2 ILE H 2 2 ILE HG12 3.500 . 5.100 2.356 2.044 3.079 . 0 0 "[ . 1 . 2]" 1
1577 2 2 ILE H 2 2 ILE MG 3.200 . 4.500 3.828 3.755 4.101 . 0 0 "[ . 1 . 2]" 1
1578 2 2 ILE H 2 2 ILE MD 3.600 . 5.200 3.232 3.051 3.424 . 0 0 "[ . 1 . 2]" 1
1579 2 2 ILE H 2 2 ILE HG13 3.200 . 4.500 3.819 3.558 4.543 0.043 18 0 "[ . 1 . 2]" 1
1580 2 7 GLU H 2 7 GLU HA 2.700 . 3.600 2.829 2.783 2.854 . 0 0 "[ . 1 . 2]" 1
1581 2 9 ALA H 2 9 ALA HA 2.600 . 3.500 2.779 2.731 2.807 . 0 0 "[ . 1 . 2]" 1
1582 2 7 GLU H 2 7 GLU QG 2.800 . 6.000 3.983 3.816 4.025 . 0 0 "[ . 1 . 2]" 1
1583 2 7 GLU H 2 7 GLU QB 2.400 . 3.100 2.233 2.131 2.257 . 0 0 "[ . 1 . 2]" 1
1584 2 9 ALA H 2 9 ALA MB 2.200 . 2.800 2.122 2.026 2.223 . 0 0 "[ . 1 . 2]" 1
1585 2 8 ALA MB 2 9 ALA H 2.500 . 3.300 2.575 2.450 2.719 . 0 0 "[ . 1 . 2]" 1
1586 2 4 MET HA 2 7 GLU H 3.200 . 4.500 3.681 3.225 3.885 . 0 0 "[ . 1 . 2]" 1
1587 2 2 ILE HA 2 3 GLN H 3.800 . 5.600 3.518 3.465 3.562 . 0 0 "[ . 1 . 2]" 1
1588 2 3 GLN H 2 3 GLN HA 2.600 . 3.400 2.778 2.748 2.823 . 0 0 "[ . 1 . 2]" 1
1589 2 2 ILE MG 2 3 GLN H 3.700 . 5.400 3.486 3.288 3.707 . 0 0 "[ . 1 . 2]" 1
1590 2 11 TYR H 2 11 TYR HA 2.500 . 3.300 2.797 2.777 2.823 . 0 0 "[ . 1 . 2]" 1
1591 2 10 ASP HB2 2 11 TYR H 3.100 . 4.300 3.876 3.747 3.953 . 0 0 "[ . 1 . 2]" 1
1592 2 10 ASP HA 2 11 TYR H 3.200 . 4.500 3.524 3.506 3.555 . 0 0 "[ . 1 . 2]" 1
1593 2 8 ALA HA 2 11 TYR H 2.900 . 4.000 3.427 3.297 3.650 . 0 0 "[ . 1 . 2]" 1
1594 2 11 TYR H 2 11 TYR HB2 2.800 . 3.800 2.602 2.552 2.693 . 0 0 "[ . 1 . 2]" 1
1595 2 10 ASP HB3 2 11 TYR H 3.200 . 4.500 2.620 2.388 2.729 . 0 0 "[ . 1 . 2]" 1
1596 2 10 ASP HA 2 12 LEU H 5.500 . 6.000 4.760 4.472 4.968 . 0 0 "[ . 1 . 2]" 1
1597 2 9 ALA HA 2 12 LEU H 3.200 . 4.500 3.715 3.415 3.918 . 0 0 "[ . 1 . 2]" 1
1598 2 12 LEU H 2 12 LEU HA 2.700 . 3.600 2.809 2.759 2.862 . 0 0 "[ . 1 . 2]" 1
1599 2 11 TYR HB2 2 12 LEU H 3.800 . 5.600 3.771 3.669 3.869 . 0 0 "[ . 1 . 2]" 1
1600 2 12 LEU H 2 12 LEU QD 2.600 . 3.500 3.105 1.682 3.498 0.018 19 0 "[ . 1 . 2]" 1
1601 2 4 MET H 2 4 MET HA 2.700 . 3.600 2.822 2.784 2.882 . 0 0 "[ . 1 . 2]" 1
1602 2 10 ASP H 2 10 ASP HA 2.500 . 3.300 2.809 2.791 2.829 . 0 0 "[ . 1 . 2]" 1
1603 2 9 ALA HA 2 10 ASP H 3.300 . 4.600 3.548 3.536 3.556 . 0 0 "[ . 1 . 2]" 1
1604 2 10 ASP H 2 10 ASP HB3 2.400 . 3.100 2.547 2.497 2.574 . 0 0 "[ . 1 . 2]" 1
1605 2 10 ASP H 2 10 ASP HB2 2.600 . 3.500 2.510 2.476 2.579 . 0 0 "[ . 1 . 2]" 1
1606 2 9 ALA MB 2 10 ASP H 2.500 . 3.300 2.537 2.428 2.687 . 0 0 "[ . 1 . 2]" 1
1607 2 3 GLN QE 2 7 GLU QG 3.900 . 5.800 3.915 2.552 5.279 . 0 0 "[ . 1 . 2]" 1
1608 2 6 LEU H 2 6 LEU QD 3.100 . 4.300 3.416 2.107 3.758 . 0 0 "[ . 1 . 2]" 1
1609 2 13 GLU H 2 13 GLU HA 2.500 . 3.300 2.735 2.269 2.846 . 0 0 "[ . 1 . 2]" 1
1610 2 12 LEU HA 2 13 GLU H 3.100 . 4.300 3.496 3.001 3.570 . 0 0 "[ . 1 . 2]" 1
1611 2 10 ASP HA 2 13 GLU H 3.000 . 4.200 3.776 3.503 4.228 0.028 10 0 "[ . 1 . 2]" 1
1612 2 1 ASN HB3 2 1 ASN HD21 3.700 . 5.400 2.855 2.112 3.264 . 0 0 "[ . 1 . 2]" 1
1613 2 1 ASN HB2 2 1 ASN HD21 3.100 . 4.300 2.817 2.111 3.316 . 0 0 "[ . 1 . 2]" 1
1614 2 5 LEU H 2 5 LEU HA 2.700 . 3.600 2.828 2.798 2.851 . 0 0 "[ . 1 . 2]" 1
1615 2 4 MET HA 2 5 LEU H 3.500 . 5.000 3.553 3.461 3.580 . 0 0 "[ . 1 . 2]" 1
1616 2 2 ILE HA 2 5 LEU H 3.100 . 4.300 3.328 3.072 3.534 . 0 0 "[ . 1 . 2]" 1
1617 2 5 LEU H 2 5 LEU QD 3.300 . 4.300 3.232 2.976 3.628 . 0 0 "[ . 1 . 2]" 1
1618 2 11 TYR HA 2 11 TYR QD 2.400 . 3.100 2.498 2.364 2.872 . 0 0 "[ . 1 . 2]" 1
1619 2 11 TYR HB2 2 11 TYR QD 2.400 . 3.100 2.603 2.440 2.666 . 0 0 "[ . 1 . 2]" 1
1620 2 11 TYR QD 2 12 LEU QD 2.400 . 3.100 2.687 1.667 3.127 0.033 19 0 "[ . 1 . 2]" 1
1621 2 11 TYR QD 2 12 LEU HA 2.900 . 3.900 3.725 2.883 3.936 0.036 20 0 "[ . 1 . 2]" 1
1622 2 1 ASN HB2 2 1 ASN HD22 3.800 . 5.600 3.748 3.432 3.969 . 0 0 "[ . 1 . 2]" 1
1623 2 11 TYR QE 2 12 LEU QD 2.600 . 3.500 3.128 2.837 3.443 . 0 0 "[ . 1 . 2]" 1
1624 2 11 TYR HA 2 11 TYR QE 3.300 . 4.700 4.594 4.524 4.759 0.059 7 0 "[ . 1 . 2]" 1
1625 2 11 TYR HB2 2 11 TYR QE 3.500 . 5.000 4.470 4.423 4.489 . 0 0 "[ . 1 . 2]" 1
1626 2 1 ASN HA 2 2 ILE H 2.600 . 3.500 3.170 2.157 3.551 0.051 3 0 "[ . 1 . 2]" 1
1627 2 3 GLN HA 2 4 MET H 3.300 . 4.600 3.519 3.469 3.568 . 0 0 "[ . 1 . 2]" 1
1628 2 9 ALA H 2 10 ASP H 2.700 . 3.600 2.794 2.705 2.924 . 0 0 "[ . 1 . 2]" 1
1629 2 6 LEU H 2 7 GLU H 2.800 . 3.800 2.676 2.453 2.757 . 0 0 "[ . 1 . 2]" 1
1630 2 10 ASP H 2 11 TYR H 2.800 . 3.800 2.665 2.602 2.775 . 0 0 "[ . 1 . 2]" 1
1631 2 3 GLN H 2 4 MET H 2.800 . 3.800 2.733 2.525 2.915 . 0 0 "[ . 1 . 2]" 1
1632 2 12 LEU H 2 13 GLU H 2.800 . 3.800 2.770 2.599 2.985 . 0 0 "[ . 1 . 2]" 1
1633 2 4 MET H 2 5 LEU H 2.800 . 3.800 2.682 2.348 2.855 . 0 0 "[ . 1 . 2]" 1
1634 2 5 LEU H 2 6 LEU H 2.800 . 3.800 2.685 2.559 2.793 . 0 0 "[ . 1 . 2]" 1
1635 2 11 TYR H 2 11 TYR QD 3.200 . 4.500 4.180 4.141 4.194 . 0 0 "[ . 1 . 2]" 1
1636 2 11 TYR QD 2 12 LEU H 3.100 . 4.300 3.240 2.607 3.602 . 0 0 "[ . 1 . 2]" 1
1637 2 1 ASN HA 2 3 GLN H 4.700 . 6.000 4.134 3.365 4.660 . 0 0 "[ . 1 . 2]" 1
1638 2 2 ILE H 2 3 GLN H 3.100 . 4.300 2.777 2.446 3.385 . 0 0 "[ . 1 . 2]" 1
1639 2 11 TYR H 2 13 GLU H 4.700 . 6.000 4.211 3.921 4.347 . 0 0 "[ . 1 . 2]" 1
1640 2 6 LEU H 2 8 ALA H 4.600 . 6.000 3.992 3.854 4.099 . 0 0 "[ . 1 . 2]" 1
1641 2 8 ALA H 2 10 ASP H 5.400 . 6.000 4.362 4.236 4.472 . 0 0 "[ . 1 . 2]" 1
1642 2 5 LEU H 2 7 GLU H 5.000 . 6.000 4.057 3.966 4.240 . 0 0 "[ . 1 . 2]" 1
1643 2 11 TYR H 2 12 LEU HA 4.600 . 6.000 5.396 5.294 5.446 . 0 0 "[ . 1 . 2]" 1
1644 2 11 TYR HA 2 12 LEU H 3.200 . 4.500 3.561 3.530 3.572 . 0 0 "[ . 1 . 2]" 1
1645 2 2 ILE HA 2 4 MET H 4.700 . 6.000 4.155 3.883 4.612 . 0 0 "[ . 1 . 2]" 1
1646 2 8 ALA H 2 9 ALA MB 4.000 . 6.000 4.361 4.288 4.441 . 0 0 "[ . 1 . 2]" 1
1647 2 7 GLU QG 2 8 ALA H 4.000 . 6.000 3.775 3.633 4.485 . 0 0 "[ . 1 . 2]" 1
1648 2 12 LEU QD 2 13 GLU H 3.400 . 4.900 4.047 3.640 4.410 . 0 0 "[ . 1 . 2]" 1
1649 2 6 LEU QD 2 7 GLU H 3.700 . 5.400 3.851 3.709 3.974 . 0 0 "[ . 1 . 2]" 1
1650 2 1 ASN HB3 2 3 GLN H 4.300 . 6.000 5.370 4.073 5.826 . 0 0 "[ . 1 . 2]" 1
1651 2 1 ASN HB2 2 3 GLN H 5.400 . 6.000 4.946 3.009 5.602 . 0 0 "[ . 1 . 2]" 1
1652 2 8 ALA HA 2 11 TYR QD 3.000 . 4.100 3.998 3.840 4.127 0.027 19 0 "[ . 1 . 2]" 1
1653 2 11 TYR QE 2 12 LEU HA 3.600 . 5.200 4.576 3.790 4.933 . 0 0 "[ . 1 . 2]" 1
1654 2 8 ALA HA 2 11 TYR QE 4.700 . 6.000 6.021 5.939 6.048 0.048 15 0 "[ . 1 . 2]" 1
1655 2 8 ALA MB 2 11 TYR QD 4.300 . 6.000 4.307 4.094 4.579 . 0 0 "[ . 1 . 2]" 1
1656 2 8 ALA MB 2 10 ASP H 3.800 . 5.600 4.585 4.498 4.692 . 0 0 "[ . 1 . 2]" 1
1657 2 8 ALA MB 2 12 LEU H 3.800 . 5.600 4.491 4.287 4.603 . 0 0 "[ . 1 . 2]" 1
1658 2 2 ILE HB 2 2 ILE MD 2.600 . 3.400 3.226 3.218 3.237 . 0 0 "[ . 1 . 2]" 1
1659 2 6 LEU QD 2 9 ALA MB 3.000 . 4.100 3.284 2.739 4.024 . 0 0 "[ . 1 . 2]" 1
1660 2 2 ILE MD 2 2 ILE HG13 2.300 . 3.000 2.088 2.073 2.121 . 0 0 "[ . 1 . 2]" 1
1661 2 2 ILE MD 2 2 ILE HG12 2.300 . 3.000 2.088 2.071 2.119 . 0 0 "[ . 1 . 2]" 1
1662 2 2 ILE MG 2 6 LEU QD . . 3.100 2.796 1.773 3.072 0.127 8 0 "[ . 1 . 2]" 1
1663 2 2 ILE MD 2 5 LEU QD 2.900 . 3.900 2.894 2.627 3.142 . 0 0 "[ . 1 . 2]" 1
1664 2 3 GLN HA 2 3 GLN QE 4.100 . 6.000 3.806 3.290 4.904 . 0 0 "[ . 1 . 2]" 1
1665 2 8 ALA HA 2 9 ALA H 3.600 . 5.200 3.541 3.522 3.568 . 0 0 "[ . 1 . 2]" 1
1666 2 11 TYR H 2 11 TYR HB3 2.700 . 3.600 2.430 2.342 2.491 . 0 0 "[ . 1 . 2]" 1
1667 2 11 TYR HB3 2 12 LEU H 3.100 . 4.300 2.338 2.198 2.532 . 0 0 "[ . 1 . 2]" 1
1668 2 11 TYR HB3 2 11 TYR QD 2.500 . 3.300 2.286 2.268 2.360 . 0 0 "[ . 1 . 2]" 1
1669 2 11 TYR HB3 2 11 TYR QE 4.800 . 6.000 4.382 4.376 4.403 . 0 0 "[ . 1 . 2]" 1
1670 2 7 GLU HA 2 10 ASP H 3.000 . 4.200 3.520 3.402 3.725 . 0 0 "[ . 1 . 2]" 1
1671 2 11 TYR H 2 12 LEU H 2.800 . 3.800 2.835 2.678 2.902 . 0 0 "[ . 1 . 2]" 1
1672 2 8 ALA HA 2 12 LEU H 3.500 . 5.100 4.221 3.813 4.428 . 0 0 "[ . 1 . 2]" 1
1673 2 8 ALA HA 2 10 ASP H 4.500 . 6.000 4.428 4.336 4.533 . 0 0 "[ . 1 . 2]" 1
1674 2 3 GLN HB3 2 4 MET H 2.800 . 3.800 2.985 2.431 4.087 0.287 10 0 "[ . 1 . 2]" 1
1675 2 2 ILE MG 2 5 LEU H 5.100 . 6.000 4.352 3.820 4.754 . 0 0 "[ . 1 . 2]" 1
1676 2 3 GLN QE 2 7 GLU QB 3.000 . 4.100 3.051 1.880 4.023 0.020 4 0 "[ . 1 . 2]" 1
1677 2 2 ILE HB 2 2 ILE HG12 2.800 . 3.800 2.440 2.414 2.455 . 0 0 "[ . 1 . 2]" 1
1678 2 5 LEU QD 2 8 ALA MB 3.600 . 5.200 3.029 2.577 3.362 . 0 0 "[ . 1 . 2]" 1
1679 2 5 LEU MD1 2 5 LEU MD2 2.200 . 2.800 1.974 1.851 2.089 . 0 0 "[ . 1 . 2]" 1
1680 2 2 ILE HB 2 2 ILE HG13 2.800 . 3.800 2.469 2.454 2.486 . 0 0 "[ . 1 . 2]" 1
1681 2 2 ILE HB 2 2 ILE MG 2.200 . 2.800 2.119 2.091 2.131 . 0 0 "[ . 1 . 2]" 1
1682 2 8 ALA HA 2 8 ALA MB 2.300 . 2.900 2.113 2.089 2.129 . 0 0 "[ . 1 . 2]" 1
1683 2 12 LEU HA 2 12 LEU QD 2.100 . 2.700 2.070 1.847 2.709 0.009 19 0 "[ . 1 . 2]" 1
1684 2 6 LEU HA 2 6 LEU QD 2.200 . 2.800 2.023 1.644 2.357 . 0 0 "[ . 1 . 2]" 1
1685 2 10 ASP HA 2 10 ASP HB3 2.500 . 3.300 3.028 3.027 3.030 . 0 0 "[ . 1 . 2]" 1
1686 2 7 GLU HA 2 10 ASP HB2 2.800 . 3.800 3.727 3.565 3.814 0.014 8 0 "[ . 1 . 2]" 1
1687 2 10 ASP HA 2 10 ASP HB2 2.400 . 3.100 2.470 2.451 2.484 . 0 0 "[ . 1 . 2]" 1
1688 2 7 GLU HA 2 7 GLU QG 2.700 . 3.600 2.748 2.301 3.008 . 0 0 "[ . 1 . 2]" 1
1689 2 7 GLU HA 2 7 GLU QB 2.200 . 2.800 2.364 2.343 2.495 . 0 0 "[ . 1 . 2]" 1
1690 2 3 GLN HA 2 3 GLN QB 2.600 . 3.500 2.294 2.173 2.390 . 0 0 "[ . 1 . 2]" 1
1691 2 2 ILE HA 2 2 ILE HB 2.700 . 3.600 3.017 2.998 3.024 . 0 0 "[ . 1 . 2]" 1
1692 2 9 ALA MB 2 10 ASP HA 3.400 . 4.800 3.744 3.677 3.838 . 0 0 "[ . 1 . 2]" 1
1693 2 6 LEU HA 2 9 ALA MB 2.500 . 3.300 3.194 2.950 3.326 0.026 18 0 "[ . 1 . 2]" 1
1694 2 2 ILE HA 2 2 ILE HG13 3.000 . 4.100 3.690 3.620 3.728 . 0 0 "[ . 1 . 2]" 1
1695 2 2 ILE HA 2 2 ILE HG12 3.000 . 4.100 3.034 2.964 3.138 . 0 0 "[ . 1 . 2]" 1
1696 2 2 ILE MG 2 3 GLN HA 3.300 . 4.600 3.465 3.210 3.703 . 0 0 "[ . 1 . 2]" 1
1697 2 2 ILE HA 2 2 ILE MG 2.600 . 3.400 2.414 2.358 2.544 . 0 0 "[ . 1 . 2]" 1
1698 2 9 ALA HA 2 12 LEU QD 2.600 . 3.400 3.322 2.677 3.435 0.035 14 0 "[ . 1 . 2]" 1
1699 2 5 LEU HA 2 5 LEU QD . . 3.100 1.898 1.723 2.118 0.277 2 0 "[ . 1 . 2]" 1
1700 2 2 ILE HA 2 5 LEU QD 2.700 . 3.600 3.327 2.938 3.531 . 0 0 "[ . 1 . 2]" 1
1701 2 1 ASN HA 2 1 ASN HB3 2.700 . 3.600 2.475 2.405 3.027 . 0 0 "[ . 1 . 2]" 1
1702 2 1 ASN HA 2 1 ASN HB2 2.600 . 3.500 2.731 2.471 3.030 . 0 0 "[ . 1 . 2]" 1
1703 2 8 ALA HA 2 11 TYR HB2 3.300 . 4.600 3.404 3.120 4.047 . 0 0 "[ . 1 . 2]" 1
1704 2 8 ALA HA 2 11 TYR HB3 5.400 . 6.000 2.758 2.620 2.855 . 0 0 "[ . 1 . 2]" 1
1705 2 7 GLU HA 2 10 ASP HB3 2.700 . 3.600 3.326 3.126 3.575 . 0 0 "[ . 1 . 2]" 1
1706 2 5 LEU HA 2 8 ALA H 3.300 . 4.700 3.369 3.103 3.898 . 0 0 "[ . 1 . 2]" 1
1707 2 4 MET HA 2 7 GLU HB3 2.300 . 3.000 2.750 1.991 3.056 0.056 9 0 "[ . 1 . 2]" 1
1708 2 4 MET H 2 7 GLU QB 4.200 . 6.000 4.617 4.369 4.735 . 0 0 "[ . 1 . 2]" 1
1709 2 5 LEU HA 2 8 ALA MB 2.700 . 3.600 2.361 2.004 2.946 . 0 0 "[ . 1 . 2]" 1
1710 2 11 TYR HA 2 11 TYR HB3 3.000 . 4.100 3.022 3.015 3.026 . 0 0 "[ . 1 . 2]" 1
1711 2 11 TYR HA 2 11 TYR HB2 2.800 . 3.800 2.410 2.373 2.434 . 0 0 "[ . 1 . 2]" 1
1712 2 9 ALA HA 2 9 ALA MB 2.200 . 2.800 2.106 2.083 2.126 . 0 0 "[ . 1 . 2]" 1
1713 2 6 LEU MD1 2 6 LEU MD2 2.200 . 2.800 2.016 1.872 2.080 . 0 0 "[ . 1 . 2]" 1
1714 2 2 ILE MD 2 2 ILE MG 2.300 . 3.000 2.044 1.811 2.165 . 0 0 "[ . 1 . 2]" 1
1715 2 8 ALA MB 2 12 LEU QD 3.200 . 4.500 3.485 2.498 3.912 . 0 0 "[ . 1 . 2]" 1
1716 2 2 ILE HG12 2 2 ILE MG 2.800 . 3.800 3.201 3.191 3.207 . 0 0 "[ . 1 . 2]" 1
1717 2 2 ILE HG12 2 5 LEU QD 3.800 . 5.600 5.065 4.710 5.286 . 0 0 "[ . 1 . 2]" 1
1718 2 8 ALA MB 2 9 ALA MB 3.000 . 4.100 3.799 3.693 3.920 . 0 0 "[ . 1 . 2]" 1
1719 2 2 ILE MG 2 5 LEU QD 3.100 . 4.300 3.817 3.240 4.241 . 0 0 "[ . 1 . 2]" 1
1720 2 7 GLU QB 2 7 GLU HG3 1.900 . 2.400 2.121 2.108 2.131 . 0 0 "[ . 1 . 2]" 1
1721 2 3 GLN H 2 7 GLU QB 3.300 . 6.000 6.057 6.006 6.137 0.137 11 0 "[ . 1 . 2]" 1
1722 2 2 ILE HA 2 2 ILE MD 2.700 . 3.600 1.985 1.803 2.140 . 0 0 "[ . 1 . 2]" 1
1723 2 9 ALA MB 2 11 TYR H 4.300 . 6.000 4.475 4.380 4.700 . 0 0 "[ . 1 . 2]" 1
1724 2 8 ALA MB 2 11 TYR H 4.800 . 6.000 4.542 4.396 4.776 . 0 0 "[ . 1 . 2]" 1
1725 1 6 GLU H 1 7 PHE H 3.500 . 3.500 2.733 2.690 2.779 . 0 0 "[ . 1 . 2]" 1
1726 1 8 ASN H 1 9 ASN H 2.800 . 2.800 2.480 2.443 2.676 . 0 0 "[ . 1 . 2]" 1
1727 1 10 ALA H 1 11 ILE H 3.500 . 3.500 2.545 2.481 2.605 . 0 0 "[ . 1 . 2]" 1
1728 1 14 VAL H 1 15 ASN H 3.500 . 3.500 2.690 2.556 2.787 . 0 0 "[ . 1 . 2]" 1
1729 1 19 THR H 1 20 ARG H 3.500 . 3.500 2.641 2.494 2.722 . 0 0 "[ . 1 . 2]" 1
1730 1 21 PHE H 1 22 LEU H 3.500 . 3.500 3.173 3.109 3.279 . 0 0 "[ . 1 . 2]" 1
1731 1 29 ARG H 1 30 SER H 3.500 . 3.500 2.890 2.834 2.987 . 0 0 "[ . 1 . 2]" 1
1732 1 33 GLU H 1 34 ILE H 3.500 . 3.500 2.606 2.527 2.729 . 0 0 "[ . 1 . 2]" 1
1733 1 38 TYR H 1 39 GLN H 3.500 . 3.500 2.849 2.741 2.942 . 0 0 "[ . 1 . 2]" 1
1734 1 59 PHE H 1 60 THR H 2.800 . 2.800 2.633 2.584 2.683 . 0 0 "[ . 1 . 2]" 1
1735 1 60 THR H 1 61 GLU H 3.500 . 3.500 2.734 2.555 2.916 . 0 0 "[ . 1 . 2]" 1
1736 1 64 ASN H 1 65 LEU H 2.800 . 2.800 2.653 2.601 2.707 . 0 0 "[ . 1 . 2]" 1
1737 1 76 PHE H 1 77 GLY H 2.800 . 2.800 2.735 2.673 2.792 . 0 0 "[ . 1 . 2]" 1
1738 1 17 ILE HA 1 18 LYS H 2.600 . 3.500 2.713 2.701 2.721 . 0 0 "[ . 1 . 2]" 1
1739 1 45 THR HB 1 46 LYS H 2.300 . 3.000 2.292 1.580 2.898 0.020 16 0 "[ . 1 . 2]" 1
1740 1 56 GLU HA 1 57 GLU H 2.400 . 3.100 2.744 2.725 2.769 . 0 0 "[ . 1 . 2]" 1
1741 1 72 LEU HA 1 73 LEU H 2.500 . 3.300 2.654 2.640 2.669 . 0 0 "[ . 1 . 2]" 1
1742 1 74 SER QB 1 75 GLU H 2.200 . 2.800 2.378 2.342 2.395 . 0 0 "[ . 1 . 2]" 1
1743 1 77 GLY HA2 1 78 GLN H 2.400 . 3.100 2.509 2.460 2.538 . 0 0 "[ . 1 . 2]" 1
1744 1 5 VAL HB 1 6 GLU H 2.000 . 2.500 2.308 2.259 2.352 . 0 0 "[ . 1 . 2]" 1
1745 1 5 VAL HB 1 8 ASN H 3.700 . 5.400 4.788 4.654 4.945 . 0 0 "[ . 1 . 2]" 1
1746 1 30 SER HB3 1 31 PHE H 2.600 . 3.400 2.552 2.189 2.709 . 0 0 "[ . 1 . 2]" 1
1747 1 31 PHE HB2 1 32 LEU H 2.500 . 3.300 2.734 2.722 2.755 . 0 0 "[ . 1 . 2]" 1
1748 1 7 PHE QD 1 10 ALA H 5.600 . 6.000 4.774 4.584 4.939 . 0 0 "[ . 1 . 2]" 1
1749 1 13 TYR H 1 14 VAL HB 4.500 . 6.000 4.408 4.327 4.620 . 0 0 "[ . 1 . 2]" 1
1750 1 11 ILE MG 1 14 VAL H 3.700 . 5.400 3.342 3.000 3.609 . 0 0 "[ . 1 . 2]" 1
1751 1 11 ILE MG 1 16 LYS H 4.000 . 6.000 4.240 4.142 4.389 . 0 0 "[ . 1 . 2]" 1
1752 1 16 LYS HG3 1 17 ILE H 3.800 . 5.600 3.914 3.718 4.025 . 0 0 "[ . 1 . 2]" 1
1753 1 14 VAL QG 1 17 ILE H 3.200 . 4.500 3.444 3.358 3.689 . 0 0 "[ . 1 . 2]" 1
1754 1 19 THR H 1 21 PHE H 4.500 . 6.000 4.460 4.308 4.564 . 0 0 "[ . 1 . 2]" 1
1755 1 15 ASN HB2 1 19 THR H 4.700 . 6.000 4.502 3.436 5.285 . 0 0 "[ . 1 . 2]" 1
1756 1 17 ILE HB 1 19 THR H 4.000 . 6.000 4.227 4.041 4.438 . 0 0 "[ . 1 . 2]" 1
1757 1 17 ILE MG 1 20 ARG H 3.200 . 4.500 3.777 3.714 3.848 . 0 0 "[ . 1 . 2]" 1
1758 1 18 LYS HA 1 20 ARG H 2.900 . 3.900 3.996 3.882 4.207 0.307 16 0 "[ . 1 . 2]" 1
1759 1 17 ILE HB 1 21 PHE H 4.300 . 6.000 5.083 4.956 5.178 . 0 0 "[ . 1 . 2]" 1
1760 1 19 THR HA 1 22 LEU H 2.900 . 4.000 3.591 3.528 3.675 . 0 0 "[ . 1 . 2]" 1
1761 1 19 THR MG 1 22 LEU H 3.900 . 5.800 4.519 4.461 4.624 . 0 0 "[ . 1 . 2]" 1
1762 1 23 ASP H 1 24 HIS HB2 3.700 . 5.400 4.274 4.158 4.423 . 0 0 "[ . 1 . 2]" 1
1763 1 25 PRO HG3 1 26 GLU H 2.100 . 2.600 2.494 2.479 2.532 . 0 0 "[ . 1 . 2]" 1
1764 1 27 ILE MD 1 28 TYR H 4.300 . 6.000 4.078 3.972 4.302 . 0 0 "[ . 1 . 2]" 1
1765 1 31 PHE H 1 32 LEU H 2.400 . 3.100 2.470 2.416 2.506 . 0 0 "[ . 1 . 2]" 1
1766 1 29 ARG H 1 32 LEU H 4.600 . 6.000 4.115 4.057 4.170 . 0 0 "[ . 1 . 2]" 1
1767 1 34 ILE H 1 35 LEU QD 3.800 . 5.600 4.335 4.208 4.422 . 0 0 "[ . 1 . 2]" 1
1768 1 34 ILE HG13 1 35 LEU H 2.300 . 3.000 2.484 2.431 2.537 . 0 0 "[ . 1 . 2]" 1
1769 1 34 ILE MG 1 35 LEU H 2.900 . 4.000 2.988 2.876 3.105 . 0 0 "[ . 1 . 2]" 1
1770 1 35 LEU QD 1 39 GLN H 3.800 . 5.600 3.350 3.067 3.814 . 0 0 "[ . 1 . 2]" 1
1771 1 38 TYR H 1 39 GLN H 2.600 . 3.400 2.488 2.337 2.558 . 0 0 "[ . 1 . 2]" 1
1772 1 37 THR HA 1 40 LYS H 2.700 . 3.600 3.170 2.962 3.353 . 0 0 "[ . 1 . 2]" 1
1773 1 38 TYR QD 1 42 GLN H 3.900 . 5.800 4.803 2.518 5.826 0.026 5 0 "[ . 1 . 2]" 1
1774 1 49 PRO HG2 1 52 GLY H 4.100 . 6.000 5.729 4.825 6.149 0.149 12 0 "[ . 1 . 2]" 1
1775 1 56 GLU HG3 1 58 VAL H 2.500 . 3.300 3.309 3.235 3.351 0.051 1 0 "[ . 1 . 2]" 1
1776 1 53 MET ME 1 58 VAL H 2.200 . 2.800 2.478 2.366 2.538 . 0 0 "[ . 1 . 2]" 1
1777 1 60 THR H 1 61 GLU H 2.400 . 3.100 2.466 2.370 2.547 . 0 0 "[ . 1 . 2]" 1
1778 1 59 PHE HA 1 62 VAL H 2.700 . 3.600 3.300 3.257 3.329 . 0 0 "[ . 1 . 2]" 1
1779 1 59 PHE HA 1 63 ALA H 3.700 . 5.400 3.730 3.630 3.810 . 0 0 "[ . 1 . 2]" 1
1780 1 60 THR HA 1 64 ASN H 3.000 . 4.100 3.304 3.174 3.351 . 0 0 "[ . 1 . 2]" 1
1781 1 34 ILE MD 1 64 ASN H 4.200 . 6.000 4.424 4.295 4.608 . 0 0 "[ . 1 . 2]" 1
1782 1 27 ILE MD 1 67 ARG H 4.100 . 6.000 4.435 4.287 4.589 . 0 0 "[ . 1 . 2]" 1
1783 1 5 VAL HB 1 6 GLU H 1.900 . 2.400 2.118 1.922 2.248 . 0 0 "[ . 1 . 2]" 1
1784 1 69 GLN QB 1 70 GLU H 3.300 . 4.700 3.752 2.154 3.939 . 0 0 "[ . 1 . 2]" 1
1785 1 69 GLN QB 1 71 ASP H 4.100 . 6.000 3.456 2.710 3.746 . 0 0 "[ . 1 . 2]" 1
1786 1 69 GLN QB 1 72 LEU H 3.100 . 4.300 3.500 3.186 3.856 . 0 0 "[ . 1 . 2]" 1
1787 1 72 LEU HG 1 75 GLU H 3.400 . 4.800 4.268 3.924 4.990 0.190 11 0 "[ . 1 . 2]" 1
1788 1 72 LEU HA 1 75 GLU H 2.700 . 3.600 3.100 3.035 3.166 . 0 0 "[ . 1 . 2]" 1
1789 1 76 PHE H 1 76 PHE QE 4.400 . 6.000 5.104 4.748 5.660 . 0 0 "[ . 1 . 2]" 1
1790 1 13 TYR QE 1 77 GLY H 3.900 . 5.800 4.671 4.620 4.712 . 0 0 "[ . 1 . 2]" 1
1791 1 74 SER HA 1 78 GLN H 4.100 . 6.000 3.942 3.825 4.049 . 0 0 "[ . 1 . 2]" 1
1792 1 77 GLY HA2 1 80 LEU H 3.500 . 5.000 4.114 4.029 4.199 . 0 0 "[ . 1 . 2]" 1
1793 1 81 PRO HB3 1 82 GLU H 2.300 . 3.000 2.510 2.222 2.935 . 0 0 "[ . 1 . 2]" 1
1794 1 6 GLU H 1 7 PHE HB3 4.200 . 6.000 4.282 4.102 4.548 . 0 0 "[ . 1 . 2]" 1
1795 1 9 ASN H 1 10 ALA MB 3.600 . 5.200 4.210 4.150 4.282 . 0 0 "[ . 1 . 2]" 1
1796 1 28 TYR HA 1 32 LEU H 3.600 . 5.200 3.951 3.885 4.067 . 0 0 "[ . 1 . 2]" 1
1797 1 35 LEU HA 1 38 TYR H 2.500 . 3.300 3.107 3.037 3.204 . 0 0 "[ . 1 . 2]" 1
1798 1 35 LEU QD 1 36 HIS H 2.900 . 4.000 2.690 2.315 3.106 . 0 0 "[ . 1 . 2]" 1
1799 1 73 LEU H 1 74 SER H 2.300 . 2.900 2.437 2.360 2.482 . 0 0 "[ . 1 . 2]" 1
1800 1 60 THR H 1 60 THR HB 2.300 . 2.900 2.316 2.226 2.351 . 0 0 "[ . 1 . 2]" 1
1801 1 13 TYR QE 1 74 SER H 5.300 . 6.000 5.147 4.981 5.396 . 0 0 "[ . 1 . 2]" 1
1802 1 46 LYS HA 1 47 GLY H 2.800 . 3.800 2.292 1.986 2.725 . 0 0 "[ . 1 . 2]" 1
1803 1 56 GLU HG3 1 60 THR H 3.500 . 5.000 4.258 3.684 4.429 . 0 0 "[ . 1 . 2]" 1
1804 1 42 GLN QB 1 42 GLN HE22 2.800 . 3.700 3.145 3.059 3.310 . 0 0 "[ . 1 . 2]" 1
1805 1 60 THR HB 1 64 ASN HD21 4.100 . 6.000 3.821 3.730 4.100 . 0 0 "[ . 1 . 2]" 1
1806 1 6 GLU H 1 9 ASN HD22 4.700 . 6.000 6.151 6.117 6.322 0.322 18 0 "[ . 1 . 2]" 1
1807 1 5 VAL HB 1 9 ASN HD22 4.600 . 6.000 5.335 5.251 5.515 . 0 0 "[ . 1 . 2]" 1
1808 1 5 VAL HB 1 9 ASN HD21 5.000 . 6.000 4.299 4.150 4.378 . 0 0 "[ . 1 . 2]" 1
1809 1 15 ASN HD22 1 19 THR HB 4.600 . 6.000 5.296 5.072 5.592 . 0 0 "[ . 1 . 2]" 1
1810 1 11 ILE HG12 1 15 ASN HD22 4.100 . 6.000 5.324 4.875 5.732 . 0 0 "[ . 1 . 2]" 1
1811 1 36 HIS HE1 1 39 GLN HE22 5.500 . 6.000 5.468 4.115 6.245 0.245 17 0 "[ . 1 . 2]" 1
1812 1 4 SER HA 1 5 VAL HA 3.700 . 5.400 4.185 4.160 4.214 . 0 0 "[ . 1 . 2]" 1
1813 1 8 ASN H 1 8 ASN HA 2.200 . 2.800 2.703 2.688 2.709 . 0 0 "[ . 1 . 2]" 1
1814 1 8 ASN H 1 8 ASN QB 2.200 . 2.800 2.134 2.017 2.320 . 0 0 "[ . 1 . 2]" 1
1815 1 10 ALA H 1 10 ALA HA 2.500 . 3.300 2.716 2.701 2.734 . 0 0 "[ . 1 . 2]" 1
1816 1 10 ALA MB 1 11 ILE HA 3.200 . 4.500 3.612 3.570 3.705 . 0 0 "[ . 1 . 2]" 1
1817 1 7 PHE QD 1 10 ALA MB 2.600 . 3.500 3.424 3.167 3.536 0.036 4 0 "[ . 1 . 2]" 1
1818 1 11 ILE HA 1 14 VAL H 3.300 . 4.600 3.331 3.260 3.472 . 0 0 "[ . 1 . 2]" 1
1819 1 11 ILE MG 1 12 SER HA 2.700 . 3.600 3.416 3.227 3.593 . 0 0 "[ . 1 . 2]" 1
1820 1 11 ILE MG 2 8 ALA HA 2.900 . 3.900 3.890 3.714 3.983 0.083 10 0 "[ . 1 . 2]" 1
1821 1 8 ASN HA 1 11 ILE MG 2.900 . 3.900 3.689 3.501 3.890 . 0 0 "[ . 1 . 2]" 1
1822 1 11 ILE MG 1 14 VAL H 3.500 . 5.000 3.498 3.293 3.725 . 0 0 "[ . 1 . 2]" 1
1823 1 10 ALA HA 1 11 ILE HG13 3.600 . 5.200 4.743 4.589 5.002 . 0 0 "[ . 1 . 2]" 1
1824 1 11 ILE MG 1 12 SER HA 3.000 . 4.100 3.402 3.191 3.567 . 0 0 "[ . 1 . 2]" 1
1825 1 11 ILE HA 1 14 VAL HB 2.700 . 3.600 2.733 2.676 2.789 . 0 0 "[ . 1 . 2]" 1
1826 1 17 ILE HA 1 20 ARG HG3 3.000 . 4.100 3.135 2.782 3.383 . 0 0 "[ . 1 . 2]" 1
1827 1 16 LYS H 1 17 ILE HB 5.000 . 6.000 4.545 4.442 4.636 . 0 0 "[ . 1 . 2]" 1
1828 1 17 ILE MG 1 28 TYR QE 2.200 . 2.800 2.709 2.584 2.812 0.012 17 0 "[ . 1 . 2]" 1
1829 1 17 ILE MG 1 19 THR H 3.800 . 5.600 4.594 4.450 4.748 . 0 0 "[ . 1 . 2]" 1
1830 1 13 TYR QE 1 17 ILE MD 2.100 . 2.600 2.577 2.522 2.623 0.023 6 0 "[ . 1 . 2]" 1
1831 1 16 LYS H 1 17 ILE MD 3.600 . 5.300 4.943 4.827 5.043 . 0 0 "[ . 1 . 2]" 1
1832 1 19 THR HA 1 21 PHE H 2.800 . 3.800 3.875 3.826 3.912 0.112 5 0 "[ . 1 . 2]" 1
1833 1 18 LYS QB 1 19 THR HA 3.100 . 4.300 3.799 3.684 3.852 . 0 0 "[ . 1 . 2]" 1
1834 1 20 ARG HA 1 21 PHE H 2.800 . 3.800 3.324 3.277 3.355 . 0 0 "[ . 1 . 2]" 1
1835 1 22 LEU HA 1 24 HIS H 3.200 . 4.500 3.815 3.440 4.073 . 0 0 "[ . 1 . 2]" 1
1836 1 19 THR HA 1 22 LEU HB3 3.900 . 5.800 4.628 4.511 4.787 . 0 0 "[ . 1 . 2]" 1
1837 1 24 HIS HA 1 24 HIS HB3 2.100 . 2.700 2.361 2.200 2.391 . 0 0 "[ . 1 . 2]" 1
1838 1 25 PRO HD2 1 25 PRO HG3 1.900 . 2.300 2.054 2.049 2.058 . 0 0 "[ . 1 . 2]" 1
1839 1 27 ILE H 1 27 ILE HA 2.400 . 3.100 2.753 2.733 2.768 . 0 0 "[ . 1 . 2]" 1
1840 1 28 TYR HA 1 29 ARG HA 3.600 . 5.300 4.305 4.287 4.319 . 0 0 "[ . 1 . 2]" 1
1841 1 29 ARG H 1 29 ARG HB2 2.500 . 3.300 2.106 2.075 2.141 . 0 0 "[ . 1 . 2]" 1
1842 1 29 ARG H 1 29 ARG HB3 2.300 . 2.900 3.016 2.970 3.060 0.160 2 0 "[ . 1 . 2]" 1
1843 1 29 ARG H 1 29 ARG HG3 2.600 . 3.400 3.461 3.343 3.603 0.203 9 0 "[ . 1 . 2]" 1
1844 1 25 PRO HG2 1 30 SER HB2 3.600 . 5.200 4.858 4.096 5.225 0.025 16 0 "[ . 1 . 2]" 1
1845 1 17 ILE MG 1 31 PHE HB2 3.200 . 4.500 2.393 2.241 2.507 . 0 0 "[ . 1 . 2]" 1
1846 1 28 TYR HA 1 32 LEU MD2 3.800 . 5.600 3.384 3.028 3.791 . 0 0 "[ . 1 . 2]" 1
1847 1 28 TYR QD 1 32 LEU MD2 2.900 . 4.000 3.643 3.371 3.896 . 0 0 "[ . 1 . 2]" 1
1848 1 31 PHE HA 1 34 ILE MG 2.600 . 3.500 3.212 3.020 3.354 . 0 0 "[ . 1 . 2]" 1
1849 1 31 PHE QD 1 34 ILE MG 2.800 . 3.800 3.704 3.524 3.816 0.016 17 0 "[ . 1 . 2]" 1
1850 1 34 ILE H 1 34 ILE MD 2.500 . 3.300 3.368 3.336 3.410 0.110 16 0 "[ . 1 . 2]" 1
1851 1 35 LEU HB2 1 35 LEU QD 2.500 . 3.300 1.823 1.564 2.130 0.136 3 0 "[ . 1 . 2]" 1
1852 1 35 LEU HB3 1 35 LEU QD 2.600 . 3.300 1.877 1.669 1.975 0.131 17 0 "[ . 1 . 2]" 1
1853 1 35 LEU QD 1 58 VAL HB 3.000 . 4.100 3.757 3.639 3.971 . 0 0 "[ . 1 . 2]" 1
1854 1 31 PHE HB2 1 35 LEU QD 3.600 . 5.200 3.037 2.776 3.300 . 0 0 "[ . 1 . 2]" 1
1855 1 35 LEU H 1 35 LEU QD 2.500 . 3.300 2.995 2.967 3.022 . 0 0 "[ . 1 . 2]" 1
1856 1 13 TYR QE 1 35 LEU QD 2.600 . 3.500 3.315 3.020 3.407 . 0 0 "[ . 1 . 2]" 1
1857 1 37 THR HA 1 38 TYR H 2.900 . 4.000 3.156 2.967 3.321 . 0 0 "[ . 1 . 2]" 1
1858 1 38 TYR HA 1 39 GLN QG 3.600 . 5.200 4.915 4.610 5.336 0.136 17 0 "[ . 1 . 2]" 1
1859 1 35 LEU QD 1 39 GLN HA 3.600 . 5.300 4.379 3.863 4.670 . 0 0 "[ . 1 . 2]" 1
1860 1 39 GLN H 1 41 GLU HA 4.400 . 6.000 5.219 2.578 6.092 0.092 6 0 "[ . 1 . 2]" 1
1861 1 48 ARG HB3 1 48 ARG HG3 1.800 . 2.200 2.379 2.285 2.675 0.475 14 0 "[ . 1 . 2]" 1
1862 1 53 MET HB2 1 56 GLU HG2 3.200 . 4.500 4.368 3.636 4.688 0.188 3 0 "[ . 1 . 2]" 1
1863 1 35 LEU QD 1 53 MET ME 3.500 . 5.100 4.331 3.692 4.701 . 0 0 "[ . 1 . 2]" 1
1864 1 55 GLU HA 1 55 GLU HB2 2.100 . 2.700 2.437 2.116 2.585 . 0 0 "[ . 1 . 2]" 1
1865 1 18 LYS HG3 1 21 PHE HB3 3.400 . 4.800 4.157 3.960 4.415 . 0 0 "[ . 1 . 2]" 1
1866 1 56 GLU HA 1 59 PHE H 3.500 . 5.000 3.811 3.530 4.085 . 0 0 "[ . 1 . 2]" 1
1867 1 35 LEU QD 1 58 VAL HA 3.400 . 4.900 3.478 3.270 3.594 . 0 0 "[ . 1 . 2]" 1
1868 1 58 VAL HA 1 59 PHE H 2.900 . 4.000 3.299 3.214 3.353 . 0 0 "[ . 1 . 2]" 1
1869 1 35 LEU QD 1 58 VAL MG1 2.000 . 2.500 1.902 1.755 2.161 . 0 0 "[ . 1 . 2]" 1
1870 1 35 LEU H 1 58 VAL MG1 3.100 . 4.300 3.680 3.456 4.065 . 0 0 "[ . 1 . 2]" 1
1871 1 59 PHE H 1 59 PHE HA 2.300 . 3.000 2.702 2.695 2.717 . 0 0 "[ . 1 . 2]" 1
1872 1 4 SER HB3 1 7 PHE HB3 2.300 . 3.000 2.768 2.592 2.894 . 0 0 "[ . 1 . 2]" 1
1873 1 7 PHE HB3 1 8 ASN H 2.300 . 3.000 2.036 1.947 2.076 . 0 0 "[ . 1 . 2]" 1
1874 1 60 THR HA 1 60 THR MG 1.900 . 2.300 2.186 2.050 2.312 0.012 19 0 "[ . 1 . 2]" 1
1875 1 37 THR MG 1 57 GLU HG2 2.700 . 3.600 3.669 3.621 3.713 0.113 8 0 "[ . 1 . 2]" 1
1876 1 37 THR MG 1 38 TYR HA 2.600 . 3.400 3.011 2.789 3.152 . 0 0 "[ . 1 . 2]" 1
1877 1 34 ILE MG 1 62 VAL HA 2.800 . 3.700 2.780 2.668 2.945 . 0 0 "[ . 1 . 2]" 1
1878 1 61 GLU HA 1 62 VAL HA 3.300 . 4.600 4.457 4.421 4.487 . 0 0 "[ . 1 . 2]" 1
1879 1 35 LEU H 1 62 VAL MG2 3.100 . 4.300 3.454 3.315 3.607 . 0 0 "[ . 1 . 2]" 1
1880 1 34 ILE H 1 62 VAL MG2 3.800 . 5.600 4.036 3.967 4.106 . 0 0 "[ . 1 . 2]" 1
1881 1 60 THR HA 1 63 ALA MB 1.900 . 2.300 2.013 1.951 2.058 . 0 0 "[ . 1 . 2]" 1
1882 1 60 THR H 1 63 ALA MB 3.200 . 4.500 3.882 3.806 3.946 . 0 0 "[ . 1 . 2]" 1
1883 1 64 ASN H 1 64 ASN HA 2.200 . 2.800 2.701 2.693 2.712 . 0 0 "[ . 1 . 2]" 1
1884 1 31 PHE HB3 1 65 LEU MD1 2.400 . 3.100 2.749 2.648 2.871 . 0 0 "[ . 1 . 2]" 1
1885 1 17 ILE MD 1 72 LEU HG 3.000 . 4.200 4.212 4.085 4.267 0.067 11 0 "[ . 1 . 2]" 1
1886 1 30 SER QB 1 65 LEU MD1 2.200 . 2.800 1.815 1.634 2.128 . 0 0 "[ . 1 . 2]" 1
1887 1 21 PHE QD 1 65 LEU QD 3.400 . 4.800 4.781 4.608 4.908 0.108 8 0 "[ . 1 . 2]" 1
1888 1 31 PHE HB2 1 73 LEU MD2 4.200 . 6.000 6.052 5.992 6.150 0.150 13 0 "[ . 1 . 2]" 1
1889 1 39 GLN HA 1 39 GLN QB 1.900 . 2.300 2.175 2.076 2.293 . 0 0 "[ . 1 . 2]" 1
1890 1 54 SER H 1 57 GLU QG 3.000 . 4.100 4.256 4.045 4.477 0.377 13 0 "[ . 1 . 2]" 1
1891 1 8 ASN HA 1 12 SER H 2.600 . 3.400 3.271 3.147 3.354 . 0 0 "[ . 1 . 2]" 1
1892 1 16 LYS HD3 1 72 LEU MD2 2.000 . 2.500 1.964 1.884 2.060 . 0 0 "[ . 1 . 2]" 1
1893 1 16 LYS H 1 72 LEU MD2 2.900 . 4.000 4.048 3.920 4.100 0.100 12 0 "[ . 1 . 2]" 1
1894 1 20 ARG HG2 1 72 LEU MD1 2.600 . 3.400 2.230 1.826 2.850 . 0 0 "[ . 1 . 2]" 1
1895 1 16 LYS H 1 72 LEU MD1 3.800 . 5.600 4.609 4.092 5.085 . 0 0 "[ . 1 . 2]" 1
1896 1 13 TYR QE 1 76 PHE HA 3.100 . 4.300 3.487 3.056 3.811 . 0 0 "[ . 1 . 2]" 1
1897 1 59 PHE H 1 80 LEU QD 3.900 . 5.800 3.416 3.097 3.765 . 0 0 "[ . 1 . 2]" 1
1898 1 55 GLU HA 1 80 LEU QD 3.400 . 4.900 2.443 2.127 2.867 . 0 0 "[ . 1 . 2]" 1
1899 1 13 TYR QD 1 17 ILE HA 4.700 . 6.000 4.861 4.671 5.055 . 0 0 "[ . 1 . 2]" 1
1900 1 17 ILE MG 1 32 LEU HA 3.600 . 5.300 4.751 4.630 4.837 . 0 0 "[ . 1 . 2]" 1
1901 1 38 TYR H 1 39 GLN HG2 3.400 . 4.900 3.911 2.935 4.553 . 0 0 "[ . 1 . 2]" 1
1902 1 34 ILE MG 1 57 GLU HG3 3.400 . 4.900 3.191 2.702 3.476 . 0 0 "[ . 1 . 2]" 1
1903 1 30 SER H 1 65 LEU HG 4.400 . 6.000 5.130 5.015 5.211 . 0 0 "[ . 1 . 2]" 1
1904 1 34 ILE MG 1 62 VAL MG2 1.800 . 2.200 1.796 1.490 2.027 . 0 0 "[ . 1 . 2]" 1
1905 1 70 GLU QB 1 74 SER HB2 2.700 . 3.600 3.482 3.073 3.636 0.036 19 0 "[ . 1 . 2]" 1
1906 1 73 LEU HB2 1 74 SER HB2 3.200 . 4.500 4.627 4.412 4.950 0.450 20 0 "[ . 1 . 2]" 1
1907 1 13 TYR QD 1 75 GLU HG2 3.600 . 5.200 4.119 2.739 4.795 . 0 0 "[ . 1 . 2]" 1
1908 1 79 PHE H 1 80 LEU QD 4.300 . 6.000 4.011 2.020 4.581 . 0 0 "[ . 1 . 2]" 1
1909 1 76 PHE H 1 80 LEU QD 5.900 . 6.000 4.351 4.106 4.538 . 0 0 "[ . 1 . 2]" 1
1910 1 22 LEU HB2 1 22 LEU QD 2.100 . 2.700 1.944 1.811 2.043 . 0 0 "[ . 1 . 2]" 1
1911 1 64 ASN HA 1 64 ASN HB3 1.800 . 2.200 2.304 2.188 2.441 0.241 17 0 "[ . 1 . 2]" 1
1912 1 8 ASN QB 1 11 ILE MD 3.900 . 5.800 4.535 4.333 4.841 . 0 0 "[ . 1 . 2]" 1
1913 1 8 ASN QB 1 11 ILE MD 4.200 . 6.000 4.904 4.642 5.148 . 0 0 "[ . 1 . 2]" 1
1914 1 13 TYR HA 1 14 VAL QG 4.000 . 6.000 3.498 3.380 3.609 . 0 0 "[ . 1 . 2]" 1
1915 1 14 VAL QG 1 17 ILE H 4.100 . 6.000 3.937 3.738 4.207 . 0 0 "[ . 1 . 2]" 1
1916 1 12 SER H 1 14 VAL QG 3.900 . 5.800 4.379 4.296 4.457 . 0 0 "[ . 1 . 2]" 1
1917 1 13 TYR H 1 14 VAL QG 3.200 . 4.500 3.691 3.540 3.840 . 0 0 "[ . 1 . 2]" 1
1918 1 11 ILE MD 1 14 VAL QG 4.400 . 6.000 3.162 3.057 3.251 . 0 0 "[ . 1 . 2]" 1
1919 1 14 VAL HB 1 17 ILE MG 4.300 . 6.000 5.893 4.798 6.064 0.064 4 0 "[ . 1 . 2]" 1
1920 1 14 VAL HB 1 15 ASN HD22 3.700 . 5.400 4.495 4.093 4.725 . 0 0 "[ . 1 . 2]" 1
1921 1 13 TYR QD 1 14 VAL HB 4.800 . 6.000 5.297 5.120 5.533 . 0 0 "[ . 1 . 2]" 1
1922 1 14 VAL H 1 17 ILE MD 4.900 . 6.000 3.942 3.786 4.094 . 0 0 "[ . 1 . 2]" 1
1923 1 5 VAL H 1 6 GLU HG2 3.000 . 4.100 3.845 3.790 3.902 . 0 0 "[ . 1 . 2]" 1
1924 1 64 ASN H 1 64 ASN HB2 2.000 . 2.500 2.375 2.182 3.323 0.823 19 3 "[ * . 1 - . +2]" 1
1925 1 7 PHE H 1 10 ALA MB 3.400 . 4.900 4.208 4.034 4.316 . 0 0 "[ . 1 . 2]" 1
1926 1 8 ASN H 1 11 ILE MD 3.600 . 5.200 4.218 4.126 4.293 . 0 0 "[ . 1 . 2]" 1
1927 1 16 LYS H 1 16 LYS HG3 3.600 . 5.200 3.948 2.096 4.190 . 0 0 "[ . 1 . 2]" 1
1928 1 31 PHE HB2 1 34 ILE MD 3.500 . 5.000 3.416 3.140 3.604 . 0 0 "[ . 1 . 2]" 1
1929 1 37 THR MG 1 40 LYS HB2 3.000 . 4.100 3.515 3.019 4.261 0.161 8 0 "[ . 1 . 2]" 1
1930 1 36 HIS HB3 1 58 VAL MG1 3.800 . 5.600 5.012 4.919 5.064 . 0 0 "[ . 1 . 2]" 1
1931 1 19 THR HA 1 22 LEU MD1 2.200 . 2.800 2.538 2.281 2.884 0.084 15 0 "[ . 1 . 2]" 1
1932 1 32 LEU MD2 1 66 PHE HZ 3.800 . 5.600 4.824 4.382 5.223 . 0 0 "[ . 1 . 2]" 1
1933 1 32 LEU HG 1 36 HIS HD2 4.300 . 6.000 5.460 4.968 6.038 0.038 14 0 "[ . 1 . 2]" 1
1934 1 13 TYR QD 1 16 LYS H 3.700 . 5.400 4.715 4.510 4.901 . 0 0 "[ . 1 . 2]" 1
1935 1 10 ALA HA 1 13 TYR QD 3.500 . 5.000 3.993 3.795 4.146 . 0 0 "[ . 1 . 2]" 1
1936 1 13 TYR QE 1 75 GLU HA 3.300 . 4.600 2.914 2.392 3.289 . 0 0 "[ . 1 . 2]" 1
1937 1 13 TYR QE 1 17 ILE HG12 3.300 . 4.700 3.483 3.222 3.729 . 0 0 "[ . 1 . 2]" 1
1938 1 19 THR H 1 28 TYR QD 4.300 . 6.000 5.111 4.964 5.270 . 0 0 "[ . 1 . 2]" 1
1939 1 21 PHE HB2 1 28 TYR QD 3.100 . 6.000 4.662 4.341 4.944 . 0 0 "[ . 1 . 2]" 1
1940 1 18 LYS HD2 1 28 TYR QD 3.500 . 5.000 3.847 3.523 4.158 . 0 0 "[ . 1 . 2]" 1
1941 1 14 VAL QG 1 28 TYR QD 3.000 . 4.100 3.266 2.776 3.662 . 0 0 "[ . 1 . 2]" 1
1942 1 17 ILE MD 1 28 TYR QD 3.400 . 4.900 4.025 3.544 4.437 . 0 0 "[ . 1 . 2]" 1
1943 1 18 LYS HA 1 28 TYR QE 3.600 . 5.200 3.555 3.374 3.714 . 0 0 "[ . 1 . 2]" 1
1944 1 18 LYS QD 1 28 TYR QE 2.800 . 6.000 3.476 2.482 4.027 . 0 0 "[ . 1 . 2]" 1
1945 1 38 TYR QD 1 39 GLN HB2 2.100 . 6.000 3.012 2.540 3.311 . 0 0 "[ . 1 . 2]" 1
1946 1 38 TYR QE 1 39 GLN HG3 3.100 . 4.300 4.060 3.531 4.362 0.062 18 0 "[ . 1 . 2]" 1
1947 1 38 TYR QE 1 42 GLN QB 2.500 . 6.000 2.951 2.145 4.013 . 0 0 "[ . 1 . 2]" 1
1948 1 38 TYR QE 1 53 MET QB 3.100 . 6.000 4.801 4.472 5.032 . 0 0 "[ . 1 . 2]" 1
1949 1 7 PHE QD 1 11 ILE H 4.100 . 6.000 4.709 4.534 4.836 . 0 0 "[ . 1 . 2]" 1
1950 1 7 PHE QD 1 8 ASN HA 3.500 . 5.000 3.791 3.448 4.136 . 0 0 "[ . 1 . 2]" 1
1951 1 18 LYS HA 1 21 PHE QD 2.500 . 6.000 4.059 3.889 4.196 . 0 0 "[ . 1 . 2]" 1
1952 1 17 ILE MG 1 21 PHE QD 2.200 . 6.000 2.573 2.324 2.696 . 0 0 "[ . 1 . 2]" 1
1953 1 17 ILE MG 1 31 PHE QD 2.600 . 3.500 2.854 2.625 2.984 . 0 0 "[ . 1 . 2]" 1
1954 1 13 TYR QE 1 66 PHE QE 2.600 . 6.000 3.060 2.775 3.329 . 0 0 "[ . 1 . 2]" 1
1955 1 27 ILE HB 1 66 PHE QE 5.400 . 6.000 3.944 3.481 4.261 . 0 0 "[ . 1 . 2]" 1
1956 1 17 ILE MG 1 66 PHE QE 2.700 . 3.600 2.610 2.482 2.715 . 0 0 "[ . 1 . 2]" 1
1957 1 17 ILE MD 1 66 PHE QE 3.000 . 4.100 1.974 1.875 2.278 0.025 19 0 "[ . 1 . 2]" 1
1958 1 13 TYR QE 1 66 PHE QD 3.000 . 4.100 3.606 3.132 4.137 0.037 20 0 "[ . 1 . 2]" 1
1959 1 73 LEU HA 1 76 PHE QE 4.400 . 6.000 4.266 4.214 4.317 . 0 0 "[ . 1 . 2]" 1
1960 2 3 GLN HA 2 7 GLU H 2.500 . 3.300 3.053 2.993 3.098 . 0 0 "[ . 1 . 2]" 1
1961 2 2 ILE HB 2 3 GLN H 2.400 . 3.100 2.176 2.069 2.351 . 0 0 "[ . 1 . 2]" 1
1962 2 5 LEU HA 2 6 LEU H 2.500 . 3.300 2.702 2.685 2.754 . 0 0 "[ . 1 . 2]" 1
1963 2 7 GLU H 2 8 ALA H 2.400 . 3.100 2.362 2.309 2.421 . 0 0 "[ . 1 . 2]" 1
1964 2 1 ASN HA 2 2 ILE HB 4.200 . 6.000 4.632 3.805 5.390 . 0 0 "[ . 1 . 2]" 1
1965 2 3 GLN HA 2 7 GLU HB2 2.600 . 6.000 4.021 3.920 4.131 . 0 0 "[ . 1 . 2]" 1
1966 2 1 ASN HA 2 4 MET QB 3.500 . 3.500 3.176 2.491 3.574 0.074 20 0 "[ . 1 . 2]" 1
1967 2 2 ILE HA 2 5 LEU QB 3.500 . 3.500 2.729 1.794 3.040 . 0 0 "[ . 1 . 2]" 1
1968 2 2 ILE MG 2 5 LEU QB 5.000 . 5.000 3.266 2.769 3.889 . 0 0 "[ . 1 . 2]" 1
1969 2 3 GLN H 2 3 GLN QB 2.800 . 2.800 2.148 1.914 2.231 . 0 0 "[ . 1 . 2]" 1
1970 2 3 GLN HA 2 4 MET QB 5.000 . 5.000 4.751 4.568 5.027 0.027 1 0 "[ . 1 . 2]" 1
1971 2 3 GLN H 2 4 MET QB 5.000 . 5.000 4.001 3.541 4.478 . 0 0 "[ . 1 . 2]" 1
1972 2 3 GLN QE 2 4 MET QB 3.500 . 3.500 3.069 2.002 3.584 0.084 20 0 "[ . 1 . 2]" 1
1973 2 4 MET H 2 4 MET QB 2.800 . 2.800 2.041 1.787 2.312 . 0 0 "[ . 1 . 2]" 1
1974 2 5 LEU H 2 5 LEU QB 2.800 . 2.800 2.163 2.083 2.237 . 0 0 "[ . 1 . 2]" 1
1975 2 5 LEU QB 2 6 LEU H 5.000 . 5.000 2.410 2.285 2.548 . 0 0 "[ . 1 . 2]" 1
1976 2 6 LEU H 2 6 LEU QB 3.500 . 3.500 2.217 2.132 2.300 . 0 0 "[ . 1 . 2]" 1
1977 2 6 LEU QB 2 7 GLU H 3.500 . 3.500 2.491 2.348 2.591 . 0 0 "[ . 1 . 2]" 1
1978 2 9 ALA HA 2 12 LEU QB 3.500 . 3.500 3.051 2.768 3.256 . 0 0 "[ . 1 . 2]" 1
1979 2 10 ASP HA 2 13 GLU QB 3.500 . 3.500 2.728 1.903 3.550 0.050 14 0 "[ . 1 . 2]" 1
1980 2 11 TYR QD 2 12 LEU QB 2.800 . 2.800 2.837 2.764 2.928 0.128 19 0 "[ . 1 . 2]" 1
1981 2 11 TYR QE 2 12 LEU QB 5.000 . 5.000 4.380 3.761 4.505 . 0 0 "[ . 1 . 2]" 1
1982 2 12 LEU H 2 12 LEU QB 2.800 . 2.800 2.125 2.079 2.339 . 0 0 "[ . 1 . 2]" 1
1983 2 12 LEU QB 2 13 GLU H 3.500 . 3.500 2.569 2.358 3.608 0.108 10 0 "[ . 1 . 2]" 1
1984 2 13 GLU H 2 13 GLU QB 2.800 . 2.800 2.229 1.881 2.838 0.038 16 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 54
_Distance_constraint_stats_list.Viol_count 1080
_Distance_constraint_stats_list.Viol_total 45044.867
_Distance_constraint_stats_list.Viol_max 3.273
_Distance_constraint_stats_list.Viol_rms 0.3881
_Distance_constraint_stats_list.Viol_average_all_restraints 2.0854
_Distance_constraint_stats_list.Viol_average_violations_only 2.0854
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 71.900 2.077 19 20 [**-***************+*]
1 6 GLU 79.705 2.292 11 20 [**-*******+*********]
1 7 PHE 92.165 2.599 18 20 [***********-*****+**]
1 8 ASN 87.727 2.586 11 20 [**********+-********]
1 9 ASN 117.251 3.245 6 20 [**-**+**************]
1 10 ALA 150.541 2.197 5 20 [**-*+***************]
1 11 ILE 145.938 2.292 11 20 [**********+*-*******]
1 12 SER 161.684 2.599 18 20 [************-****+**]
1 13 TYR 169.875 2.586 11 20 [******-***+*********]
1 14 VAL 117.251 3.245 6 20 [**-**+**************]
1 15 ASN 78.642 2.197 5 20 [****+*-*************]
1 16 LYS 66.234 2.117 3 20 [**+*********-*******]
1 17 ILE 69.519 2.138 16 20 [************-**+****]
1 18 LYS 82.147 2.343 5 20 [****+*-*************]
1 26 GLU 79.018 2.516 1 20 [+-******************]
1 27 ILE 82.521 2.357 10 20 [*******-*+**********]
1 28 TYR 83.845 2.430 18 20 [*****************+-*]
1 29 ARG 79.680 2.352 11 20 [**********+*******-*]
1 30 SER 91.004 2.563 16 20 [*****-*********+****]
1 31 PHE 156.304 2.516 1 20 [+-******************]
1 32 LEU 154.207 2.357 10 20 [****-****+**********]
1 33 GLU 159.220 2.430 18 20 [****-************+**]
1 34 ILE 179.396 3.228 6 20 [*****+************-*]
1 35 LEU 176.725 2.874 1 20 [+*****-*************]
1 36 HIS 77.287 2.462 14 20 [*********-***+******]
1 37 THR 71.686 2.072 18 20 [****-************+**]
1 38 TYR 75.374 2.267 6 20 [****-+**************]
1 39 GLN 99.716 3.228 6 20 [*****+-*************]
1 40 LYS 85.721 2.874 1 20 [+*****-*************]
1 55 GLU 68.658 2.135 1 20 [+******-************]
1 56 GLU 98.774 3.058 6 20 [*****+*******-******]
1 57 GLU 71.703 2.014 14 20 [*******-*****+******]
1 58 VAL 65.444 1.953 14 20 [*************+**-***]
1 59 PHE 74.926 2.193 7 20 [******+***********-*]
1 60 THR 68.658 2.135 1 20 [+******-************]
1 61 GLU 98.774 3.058 6 20 [*****+*******-******]
1 62 VAL 71.703 2.014 14 20 [*******-*****+******]
1 63 ALA 65.444 1.953 14 20 [*************+**-***]
1 64 ASN 74.926 2.193 7 20 [******+***********-*]
1 70 GLU 94.892 2.716 16 20 [***************+***-]
1 71 ASP 119.776 3.273 1 20 [+**-****************]
1 72 LEU 86.930 2.519 7 20 [******+*-***********]
1 75 GLU 94.892 2.716 16 20 [***************+***-]
1 76 PHE 119.776 3.273 1 20 [+**-****************]
1 77 GLY 86.930 2.519 7 20 [******+*-***********]
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 5 VAL O 1 10 ALA N 3.200 2.200 3.200 4.811 4.356 4.893 1.693 6 20 [**-**+**************] 2
2 1 5 VAL O 1 10 ALA H 2.200 . 2.200 4.184 3.617 4.277 2.077 19 20 [**-***************+*] 2
3 1 6 GLU O 1 11 ILE N 3.200 2.200 3.200 5.053 4.891 5.234 2.034 11 20 [**-*******+*********] 2
4 1 6 GLU O 1 11 ILE H 2.200 . 2.200 4.332 4.234 4.492 2.292 11 20 [****-*****+*********] 2
5 1 7 PHE O 1 12 SER N 3.200 2.200 3.200 5.362 5.218 5.504 2.304 9 20 [********+**-********] 2
6 1 7 PHE O 1 12 SER H 2.200 . 2.200 4.647 4.472 4.799 2.599 18 20 [-****************+**] 2
7 1 8 ASN O 1 13 TYR N 3.200 2.200 3.200 5.251 5.038 5.477 2.277 11 20 [**********+-********] 2
8 1 8 ASN O 1 13 TYR H 2.200 . 2.200 4.536 4.325 4.786 2.586 11 20 [**********+-********] 2
9 1 9 ASN O 1 14 VAL N 3.200 2.200 3.200 5.990 5.366 6.164 2.964 6 20 [**-**+**************] 2
10 1 9 ASN O 1 14 VAL H 2.200 . 2.200 5.272 4.642 5.445 3.245 6 20 [**-**+**************] 2
11 1 10 ALA O 1 15 ASN N 3.200 2.200 3.200 5.088 4.963 5.243 2.043 5 20 [****+*-*************] 2
12 1 10 ALA O 1 15 ASN H 2.200 . 2.200 4.244 4.111 4.397 2.197 5 20 [****+*-*************] 2
13 1 11 ILE O 1 16 LYS N 3.200 2.200 3.200 4.723 4.467 5.051 1.851 3 20 [**+*********-*******] 2
14 1 11 ILE O 1 16 LYS H 2.200 . 2.200 3.988 3.693 4.317 2.117 3 20 [**+*********-*******] 2
15 1 12 SER O 1 17 ILE N 3.200 2.200 3.200 4.802 4.631 5.086 1.886 16 20 [************-**+****] 2
16 1 12 SER O 1 17 ILE H 2.200 . 2.200 4.074 3.931 4.338 2.138 16 20 [************-**+****] 2
17 1 13 TYR O 1 18 LYS N 3.200 2.200 3.200 5.115 4.958 5.271 2.071 16 20 [******-********+****] 2
18 1 13 TYR O 1 18 LYS H 2.200 . 2.200 4.393 4.224 4.543 2.343 5 20 [****+-**************] 2
19 1 26 GLU O 1 31 PHE N 3.200 2.200 3.200 5.045 4.829 5.440 2.240 1 20 [+-******************] 2
20 1 26 GLU O 1 31 PHE H 2.200 . 2.200 4.306 4.106 4.716 2.516 1 20 [+-******************] 2
21 1 27 ILE O 1 32 LEU N 3.200 2.200 3.200 5.132 4.997 5.281 2.081 10 20 [*******-*+**********] 2
22 1 27 ILE O 1 32 LEU H 2.200 . 2.200 4.394 4.243 4.557 2.357 10 20 [*******-*+**********] 2
23 1 28 TYR O 1 33 GLU N 3.200 2.200 3.200 5.177 4.919 5.409 2.209 18 20 [*****************+-*] 2
24 1 28 TYR O 1 33 GLU H 2.200 . 2.200 4.415 4.128 4.630 2.430 18 20 [*****************+-*] 2
25 1 29 ARG O 1 34 ILE N 3.200 2.200 3.200 5.061 4.967 5.294 2.094 11 20 [**********+*******-*] 2
26 1 29 ARG O 1 34 ILE H 2.200 . 2.200 4.323 4.234 4.552 2.352 11 20 [**********+******-**] 2
27 1 30 SER O 1 35 LEU N 3.200 2.200 3.200 5.294 5.215 5.395 2.195 16 20 [*****-*********+****] 2
28 1 30 SER O 1 35 LEU H 2.200 . 2.200 4.656 4.564 4.763 2.563 16 20 [*****-*********+****] 2
29 1 31 PHE O 1 36 HIS N 3.200 2.200 3.200 5.065 4.996 5.500 2.300 14 20 [*********-***+******] 2
30 1 31 PHE O 1 36 HIS H 2.200 . 2.200 4.200 4.120 4.662 2.462 14 20 [*********-***+******] 2
31 1 32 LEU O 1 37 THR N 3.200 2.200 3.200 4.838 4.706 4.950 1.750 18 20 [****-************+**] 2
32 1 32 LEU O 1 37 THR H 2.200 . 2.200 4.146 4.010 4.272 2.072 18 20 [****-************+**] 2
33 1 33 GLU O 1 38 TYR N 3.200 2.200 3.200 4.915 4.748 5.094 1.894 6 20 [****-+**************] 2
34 1 33 GLU O 1 38 TYR H 2.200 . 2.200 4.254 4.052 4.467 2.267 6 20 [***-*+**************] 2
35 1 34 ILE O 1 39 GLN N 3.200 2.200 3.200 5.537 5.256 6.095 2.895 6 20 [*****+-*************] 2
36 1 34 ILE O 1 39 GLN H 2.200 . 2.200 4.849 4.484 5.428 3.228 6 20 [*****+-*************] 2
37 1 35 LEU O 1 40 LYS N 3.200 2.200 3.200 5.247 4.844 5.847 2.647 1 20 [+*****-*************] 2
38 1 35 LEU O 1 40 LYS H 2.200 . 2.200 4.439 4.081 5.074 2.874 1 20 [+*****-*************] 2
39 1 55 GLU O 1 60 THR N 3.200 2.200 3.200 4.773 4.428 5.062 1.862 1 20 [+******-************] 2
40 1 55 GLU O 1 60 THR H 2.200 . 2.200 4.060 3.708 4.335 2.135 1 20 [+******-************] 2
41 1 56 GLU O 1 61 GLU N 3.200 2.200 3.200 5.514 5.183 5.919 2.719 6 20 [*****+*******-******] 2
42 1 56 GLU O 1 61 GLU H 2.200 . 2.200 4.824 4.496 5.258 3.058 6 20 [*****+*******-******] 2
43 1 57 GLU O 1 62 VAL N 3.200 2.200 3.200 4.885 4.684 5.019 1.819 15 20 [*******-******+*****] 2
44 1 57 GLU O 1 62 VAL H 2.200 . 2.200 4.100 3.888 4.214 2.014 14 20 [*******-*****+******] 2
45 1 58 VAL O 1 63 ALA N 3.200 2.200 3.200 4.734 4.504 4.935 1.735 14 20 [*************+**-***] 2
46 1 58 VAL O 1 63 ALA H 2.200 . 2.200 3.938 3.702 4.153 1.953 14 20 [*************+**-***] 2
47 1 59 PHE O 1 64 ASN N 3.200 2.200 3.200 4.913 4.594 5.068 1.868 7 20 [******+***********-*] 2
48 1 59 PHE O 1 64 ASN H 2.200 . 2.200 4.233 3.879 4.393 2.193 7 20 [******+***********-*] 2
49 1 70 GLU O 1 75 GLU N 3.200 2.200 3.200 5.401 5.191 5.570 2.370 16 20 [***************+***-] 2
50 1 70 GLU O 1 75 GLU H 2.200 . 2.200 4.744 4.570 4.916 2.716 16 20 [********-******+****] 2
51 1 71 ASP O 1 76 PHE N 3.200 2.200 3.200 6.091 5.895 6.281 3.081 16 20 [***-***********+****] 2
52 1 71 ASP O 1 76 PHE H 2.200 . 2.200 5.298 5.086 5.473 3.273 1 20 [+**-****************] 2
53 1 72 LEU O 1 77 GLY N 3.200 2.200 3.200 5.261 5.038 5.439 2.239 7 20 [******+*-***********] 2
54 1 72 LEU O 1 77 GLY H 2.200 . 2.200 4.485 4.221 4.719 2.519 7 20 [******+*-***********] 2
stop_
save_
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