NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440177 |
2k85   |
15938 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k85
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 1264
_Distance_constraint_stats_list.Viol_count 2826
_Distance_constraint_stats_list.Viol_total 7203.792
_Distance_constraint_stats_list.Viol_max 2.355
_Distance_constraint_stats_list.Viol_rms 0.0869
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0253
_Distance_constraint_stats_list.Viol_average_violations_only 0.1699
_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 5 SER 0.266 0.063 12 0 "[ . 1 .]"
1 6 GLN 1.091 0.386 10 0 "[ . 1 .]"
1 7 GLN 6.848 0.381 11 0 "[ . 1 .]"
1 8 ILE 7.576 0.365 4 0 "[ . 1 .]"
1 9 ALA 5.460 0.204 15 0 "[ . 1 .]"
1 10 THR 8.328 0.543 10 1 "[ . + .]"
1 11 ALA 0.349 0.111 1 0 "[ . 1 .]"
1 12 LYS 2.646 0.261 4 0 "[ . 1 .]"
1 13 ASP 4.334 0.543 10 1 "[ . + .]"
1 14 LYS 5.635 0.669 15 2 "[ - . 1 +]"
1 15 TYR 8.037 0.477 13 0 "[ . 1 .]"
1 16 GLU 11.031 0.524 11 2 "[ . 1+ - .]"
1 17 TRP 35.798 0.773 10 10 "[-** .** *+** *]"
1 18 LEU 27.099 1.002 13 11 "[- * ********+ .]"
1 19 VAL 9.221 0.443 3 0 "[ . 1 .]"
1 20 SER 3.033 0.521 11 1 "[ . 1+ .]"
1 21 ARG 21.228 0.468 15 0 "[ . 1 .]"
1 22 ILE 25.522 0.742 5 6 "[ **+* * 1 -]"
1 23 VAL 24.904 2.355 7 6 "[ - *. +**1 *.]"
1 24 LYS 15.060 0.932 11 7 "[ * .* * 1+- **]"
1 25 ASN 2.113 0.425 2 0 "[ . 1 .]"
1 26 HIS 29.605 0.730 8 8 "[* -* +*** *.]"
1 27 ASN 3.082 0.730 8 2 "[ . + 1 -.]"
1 28 GLU 8.011 0.626 11 1 "[ . 1+ .]"
1 29 ASN 2.511 0.291 1 0 "[ . 1 .]"
1 30 TRP 18.255 0.389 6 0 "[ . 1 .]"
1 31 LEU 19.386 0.694 4 1 "[ +. 1 .]"
1 32 SER 16.276 0.663 11 4 "[ .* *+ -.]"
1 33 VAL 32.384 2.355 7 9 "[ * *.*+**** -.]"
1 34 SER 3.545 0.223 3 0 "[ . 1 .]"
1 35 ARG 7.997 0.770 13 2 "[ - 1 + .]"
1 36 LYS 18.364 0.770 13 3 "[ - * 1 + .]"
1 37 MET 14.715 0.728 9 1 "[ . +1 .]"
1 38 GLN 4.169 0.343 15 0 "[ . 1 .]"
1 39 ALA 3.802 0.343 15 0 "[ . 1 .]"
1 40 SER 7.627 0.386 11 0 "[ . 1 .]"
1 41 PRO 9.432 0.385 1 0 "[ . 1 .]"
1 42 GLU 17.529 1.002 13 3 "[ - * 1 + .]"
1 43 TYR 6.987 0.728 9 1 "[ . +1 .]"
1 44 GLN 5.882 0.364 8 0 "[ . 1 .]"
1 45 ASP 5.109 0.285 12 0 "[ . 1 .]"
1 46 TYR 9.366 0.375 2 0 "[ . 1 .]"
1 47 VAL 6.741 0.375 2 0 "[ . 1 .]"
1 48 TYR 10.196 0.385 9 0 "[ . 1 .]"
1 49 LEU 11.003 0.709 5 1 "[ + 1 .]"
1 50 GLU 6.533 0.709 5 1 "[ + 1 .]"
1 51 GLY 0.727 0.098 13 0 "[ . 1 .]"
1 52 THR 1.283 0.170 7 0 "[ . 1 .]"
1 53 GLN 7.793 0.402 15 0 "[ . 1 .]"
1 54 LYS 16.721 0.513 1 1 "[+ . 1 .]"
1 55 ALA 4.892 0.386 1 0 "[ . 1 .]"
1 56 LYS 7.816 0.531 8 2 "[ -. + 1 .]"
1 57 LYS 7.539 0.633 14 3 "[ - . 1 *+.]"
1 58 LEU 11.588 0.353 3 0 "[ . 1 .]"
1 59 PHE 3.955 0.223 5 0 "[ . 1 .]"
1 60 LEU 7.976 0.230 6 0 "[ . 1 .]"
1 61 GLN 21.103 0.847 15 4 "[ .* 1 *-+]"
1 62 HIS 19.719 0.847 15 8 "[ *.** 1-***+]"
1 63 ILE 16.113 0.745 12 5 "[ *.-* 1 + *]"
1 64 HIS 32.711 0.539 13 2 "[ . - + .]"
1 65 ARG 18.231 0.539 13 2 "[ . 1 +-.]"
1 66 LEU 13.986 0.811 15 2 "[ . 1 - +]"
1 67 LYS 23.135 0.945 12 12 "[** -******+ **]"
1 68 HIS 30.012 0.945 12 6 "[ * * ** 1 + -]"
1 69 GLU 5.561 0.540 5 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 25 ASN HA 1 25 ASN HB2 2.363 . 3.033 2.528 2.354 2.964 . 0 0 "[ . 1 .]" 1
2 1 25 ASN HA 1 66 LEU QD 3.035 . 4.140 3.481 2.633 3.787 . 0 0 "[ . 1 .]" 1
3 1 29 ASN HA 1 29 ASN HB3 2.458 . 3.183 2.794 2.511 3.037 . 0 0 "[ . 1 .]" 1
4 1 29 ASN HA 1 29 ASN HB2 2.410 . 3.107 2.763 2.433 3.032 . 0 0 "[ . 1 .]" 1
5 1 25 ASN HA 1 25 ASN HB3 2.041 . 2.541 2.543 2.384 2.966 0.425 2 0 "[ . 1 .]" 1
6 1 24 LYS HA 1 66 LEU QD 2.750 . 3.658 2.850 2.585 3.272 . 0 0 "[ . 1 .]" 1
7 1 26 HIS HA 1 63 ILE HA 2.726 . 3.617 3.405 3.279 3.683 0.066 8 0 "[ . 1 .]" 1
8 1 26 HIS HA 1 26 HIS HB2 2.073 . 2.589 2.329 2.291 2.349 . 0 0 "[ . 1 .]" 1
9 1 26 HIS HA 1 66 LEU QD 2.327 . 2.977 2.253 2.029 2.368 . 0 0 "[ . 1 .]" 1
10 1 26 HIS HB3 1 66 LEU HB2 2.893 . 3.898 2.075 1.847 2.634 0.041 14 0 "[ . 1 .]" 1
11 1 26 HIS HD1 1 67 LYS QB 2.950 . 3.994 3.621 3.275 3.872 . 0 0 "[ . 1 .]" 1
12 1 26 HIS HD1 1 67 LYS QD 2.633 . 3.465 3.783 3.455 4.074 0.609 9 6 "[* .* +** -.]" 1
13 1 26 HIS HB3 1 26 HIS HD1 2.629 . 3.459 2.411 2.372 2.461 . 0 0 "[ . 1 .]" 1
14 1 26 HIS HA 1 26 HIS HB3 2.131 . 2.676 2.553 2.518 2.615 . 0 0 "[ . 1 .]" 1
15 1 26 HIS HB2 1 66 LEU HB2 2.775 . 3.699 3.074 2.909 3.306 . 0 0 "[ . 1 .]" 1
16 1 26 HIS HB3 1 66 LEU HB3 2.857 . 3.836 2.167 1.909 2.294 . 0 0 "[ . 1 .]" 1
17 1 26 HIS HB2 1 66 LEU QD 2.637 . 3.472 2.698 2.362 2.897 . 0 0 "[ . 1 .]" 1
18 1 26 HIS HB3 1 67 LYS HG3 2.711 . 3.593 3.743 3.313 4.275 0.682 8 2 "[ - + 1 .]" 1
19 1 26 HIS HB3 1 63 ILE MG 2.181 . 2.752 3.041 2.923 3.168 0.416 2 0 "[ . 1 .]" 1
20 1 26 HIS HA 1 63 ILE MD 2.085 . 2.607 1.899 1.715 2.042 . 0 0 "[ . 1 .]" 1
21 1 26 HIS HB3 1 63 ILE MD 2.568 . 3.359 2.980 2.763 3.111 . 0 0 "[ . 1 .]" 1
22 1 26 HIS HB2 1 63 ILE MD 2.515 . 3.274 1.988 1.776 2.203 . 0 0 "[ . 1 .]" 1
23 1 10 THR HA 1 13 ASP HB3 2.722 . 3.611 2.080 1.867 2.447 . 0 0 "[ . 1 .]" 1
24 1 10 THR HA 1 10 THR HB 1.953 . 2.411 2.535 2.463 2.646 0.235 2 0 "[ . 1 .]" 1
25 1 15 TYR H 1 15 TYR HA 2.861 . 3.843 2.797 2.768 2.834 . 0 0 "[ . 1 .]" 1
26 1 15 TYR HA 1 15 TYR QD 2.463 . 3.191 2.812 2.652 2.946 . 0 0 "[ . 1 .]" 1
27 1 15 TYR H 1 15 TYR HB3 2.941 . 3.979 2.497 2.453 2.539 . 0 0 "[ . 1 .]" 1
28 1 15 TYR HB3 1 15 TYR QE 3.261 . 4.537 4.418 4.404 4.443 . 0 0 "[ . 1 .]" 1
29 1 15 TYR HB3 1 15 TYR QD 2.574 . 3.369 2.384 2.341 2.445 . 0 0 "[ . 1 .]" 1
30 1 15 TYR H 1 15 TYR HB2 2.948 . 3.991 2.630 2.552 2.685 . 0 0 "[ . 1 .]" 1
31 1 15 TYR HB2 1 15 TYR QD 2.607 . 3.422 2.427 2.370 2.487 . 0 0 "[ . 1 .]" 1
32 1 27 ASN H 1 27 ASN HA 2.522 . 3.285 2.902 2.853 2.921 . 0 0 "[ . 1 .]" 1
33 1 28 GLU H 1 28 GLU HA 2.274 . 2.895 2.886 2.814 2.930 0.035 9 0 "[ . 1 .]" 1
34 1 29 ASN H 1 29 ASN HA 2.969 . 4.027 2.943 2.926 2.955 . 0 0 "[ . 1 .]" 1
35 1 29 ASN H 1 29 ASN HB3 3.170 . 4.376 3.262 2.632 3.777 . 0 0 "[ . 1 .]" 1
36 1 29 ASN H 1 29 ASN HB2 3.213 . 4.451 2.867 2.517 3.299 . 0 0 "[ . 1 .]" 1
37 1 30 TRP H 1 30 TRP HB2 3.150 . 4.340 2.712 2.675 2.766 . 0 0 "[ . 1 .]" 1
38 1 30 TRP H 1 30 TRP HB3 3.038 . 4.146 2.399 2.360 2.439 . 0 0 "[ . 1 .]" 1
39 1 33 VAL H 1 33 VAL HA 2.618 . 3.440 2.851 2.805 2.882 . 0 0 "[ . 1 .]" 1
40 1 34 SER H 1 34 SER HA 2.718 . 3.605 2.851 2.815 2.879 . 0 0 "[ . 1 .]" 1
41 1 39 ALA H 1 39 ALA HA 2.300 . 2.935 2.828 2.285 2.888 . 0 0 "[ . 1 .]" 1
42 1 39 ALA HA 1 39 ALA MB 1.914 . 2.354 2.127 2.121 2.130 . 0 0 "[ . 1 .]" 1
43 1 48 TYR H 1 48 TYR HA 2.535 . 3.306 2.836 2.824 2.854 . 0 0 "[ . 1 .]" 1
44 1 49 LEU H 1 49 LEU HA 2.816 . 3.767 2.816 2.775 2.860 . 0 0 "[ . 1 .]" 1
45 1 51 GLY H 1 51 GLY HA3 2.841 . 3.810 2.908 2.861 2.948 . 0 0 "[ . 1 .]" 1
46 1 51 GLY H 1 51 GLY HA2 2.519 . 3.281 2.662 2.579 2.740 . 0 0 "[ . 1 .]" 1
47 1 55 ALA H 1 55 ALA HA 2.819 . 3.772 2.855 2.814 2.880 . 0 0 "[ . 1 .]" 1
48 1 55 ALA HA 1 55 ALA MB 2.330 . 2.981 2.136 2.132 2.139 . 0 0 "[ . 1 .]" 1
49 1 12 LYS H 1 13 ASP H 3.208 . 4.443 2.605 2.519 2.733 . 0 0 "[ . 1 .]" 1
50 1 13 ASP H 1 14 LYS H 2.730 . 3.624 2.896 2.804 2.991 . 0 0 "[ . 1 .]" 1
51 1 14 LYS H 1 15 TYR H 2.800 . 3.741 2.621 2.488 2.810 . 0 0 "[ . 1 .]" 1
52 1 15 TYR H 1 16 GLU H 2.874 . 3.865 2.702 2.608 2.783 . 0 0 "[ . 1 .]" 1
53 1 9 ALA H 1 10 THR H 3.105 . 4.262 2.303 1.980 2.554 . 0 0 "[ . 1 .]" 1
54 1 8 ILE H 1 9 ALA H 2.920 . 3.943 2.638 2.525 2.751 . 0 0 "[ . 1 .]" 1
55 1 7 GLN H 1 8 ILE H 3.109 . 4.269 2.597 1.876 3.502 0.073 2 0 "[ . 1 .]" 1
56 1 9 ALA H 1 9 ALA MB 2.142 . 2.693 2.376 2.287 2.474 . 0 0 "[ . 1 .]" 1
57 1 9 ALA H 1 9 ALA HA 2.603 . 3.416 2.925 2.891 2.951 . 0 0 "[ . 1 .]" 1
58 1 9 ALA HA 1 9 ALA MB 2.052 . 2.557 2.126 2.124 2.128 . 0 0 "[ . 1 .]" 1
59 1 55 ALA H 1 55 ALA MB 2.449 . 3.169 2.235 2.210 2.257 . 0 0 "[ . 1 .]" 1
60 1 8 ILE H 1 8 ILE HA 2.771 . 3.692 2.792 2.752 2.833 . 0 0 "[ . 1 .]" 1
61 1 8 ILE HA 1 9 ALA H 2.512 . 3.269 3.424 3.370 3.473 0.204 15 0 "[ . 1 .]" 1
62 1 9 ALA HA 1 10 THR H 2.565 . 3.354 3.513 3.473 3.529 0.175 7 0 "[ . 1 .]" 1
63 1 9 ALA MB 1 10 THR H 2.637 . 3.471 2.274 2.026 2.633 . 0 0 "[ . 1 .]" 1
64 1 10 THR H 1 10 THR MG 2.638 . 3.473 2.437 2.191 2.768 . 0 0 "[ . 1 .]" 1
65 1 10 THR H 1 10 THR HB 3.217 . 4.459 3.553 3.449 3.607 . 0 0 "[ . 1 .]" 1
66 1 10 THR HB 1 10 THR MG 2.130 . 2.674 2.132 2.130 2.134 . 0 0 "[ . 1 .]" 1
67 1 10 THR HA 1 10 THR MG 2.067 . 2.580 2.217 2.134 2.312 . 0 0 "[ . 1 .]" 1
68 1 12 LYS HA 1 13 ASP H 3.230 . 4.482 3.519 3.492 3.552 . 0 0 "[ . 1 .]" 1
69 1 10 THR HA 1 11 ALA H 2.843 . 3.813 3.551 3.513 3.589 . 0 0 "[ . 1 .]" 1
70 1 10 THR HB 1 11 ALA H 3.222 . 4.468 3.635 3.307 3.856 . 0 0 "[ . 1 .]" 1
71 1 11 ALA H 1 11 ALA MB 2.827 . 3.786 2.273 2.254 2.304 . 0 0 "[ . 1 .]" 1
72 1 11 ALA MB 1 12 LYS H 2.922 . 3.947 2.476 2.331 2.639 . 0 0 "[ . 1 .]" 1
73 1 11 ALA HA 1 12 LYS H 3.575 2.042 5.108 3.531 3.507 3.550 . 0 0 "[ . 1 .]" 1
74 1 11 ALA HA 1 11 ALA MB 2.258 . 2.870 2.130 2.128 2.133 . 0 0 "[ . 1 .]" 1
75 1 11 ALA H 1 12 LYS H 3.466 2.024 4.908 2.614 2.464 2.700 . 0 0 "[ . 1 .]" 1
76 1 60 LEU H 1 61 GLN H 2.814 . 3.764 2.909 2.869 2.961 . 0 0 "[ . 1 .]" 1
77 1 58 LEU H 1 60 LEU H 3.246 . 4.510 4.080 4.002 4.189 . 0 0 "[ . 1 .]" 1
78 1 59 PHE H 1 60 LEU H 2.842 . 3.811 2.883 2.831 2.964 . 0 0 "[ . 1 .]" 1
79 1 61 GLN H 1 62 HIS H 2.725 . 3.616 2.947 2.803 3.086 . 0 0 "[ . 1 .]" 1
80 1 63 ILE H 1 64 HIS H 2.262 . 2.876 2.811 2.707 2.872 . 0 0 "[ . 1 .]" 1
81 1 65 ARG H 1 66 LEU H 2.328 . 2.978 2.842 2.722 2.978 0.000 9 0 "[ . 1 .]" 1
82 1 66 LEU H 1 67 LYS H 2.483 . 3.223 2.854 2.700 3.226 0.003 15 0 "[ . 1 .]" 1
83 1 58 LEU H 1 59 PHE H 2.648 . 3.489 2.682 2.640 2.761 . 0 0 "[ . 1 .]" 1
84 1 55 ALA H 1 56 LYS H 2.717 . 3.603 2.627 2.515 2.763 . 0 0 "[ . 1 .]" 1
85 1 54 LYS H 1 55 ALA H 2.704 . 3.581 2.585 2.431 2.764 . 0 0 "[ . 1 .]" 1
86 1 51 GLY H 1 52 THR H 3.162 . 4.362 4.323 4.223 4.378 0.016 5 0 "[ . 1 .]" 1
87 1 50 GLU H 1 51 GLY H 2.563 . 3.351 2.846 2.545 3.153 . 0 0 "[ . 1 .]" 1
88 1 57 LYS H 1 58 LEU H 2.414 . 3.113 2.806 2.640 2.915 . 0 0 "[ . 1 .]" 1
89 1 56 LYS H 1 57 LYS H 2.741 . 3.642 2.775 2.608 3.105 . 0 0 "[ . 1 .]" 1
90 1 49 LEU H 1 50 GLU H 2.775 . 3.699 2.833 2.534 2.971 . 0 0 "[ . 1 .]" 1
91 1 48 TYR H 1 49 LEU H 2.679 . 3.540 2.584 2.497 2.677 . 0 0 "[ . 1 .]" 1
92 1 38 GLN H 1 39 ALA H 3.050 . 4.167 2.754 2.563 4.423 0.256 10 0 "[ . 1 .]" 1
93 1 37 MET H 1 38 GLN H 2.639 . 3.475 2.906 2.766 3.060 . 0 0 "[ . 1 .]" 1
94 1 10 THR MG 1 11 ALA H 3.378 2.009 4.747 4.136 4.043 4.404 . 0 0 "[ . 1 .]" 1
95 1 7 GLN H 1 7 GLN HA 2.972 . 4.032 2.707 2.247 2.947 . 0 0 "[ . 1 .]" 1
96 1 7 GLN HA 1 8 ILE H 2.633 . 3.465 3.494 3.450 3.548 0.083 7 0 "[ . 1 .]" 1
97 1 6 GLN HA 1 7 GLN H 3.042 . 4.153 2.992 2.212 3.553 . 0 0 "[ . 1 .]" 1
98 1 5 SER H 1 5 SER HB3 2.948 . 3.991 3.293 2.586 4.054 0.063 12 0 "[ . 1 .]" 1
99 1 21 ARG H 1 22 ILE H 2.603 . 3.416 2.295 2.196 2.467 . 0 0 "[ . 1 .]" 1
100 1 22 ILE H 1 23 VAL H 2.504 . 3.257 2.462 2.273 2.606 . 0 0 "[ . 1 .]" 1
101 1 26 HIS H 1 27 ASN H 2.548 . 3.327 2.893 2.659 3.050 . 0 0 "[ . 1 .]" 1
102 1 25 ASN H 1 26 HIS H 3.062 . 4.187 2.591 2.293 2.872 . 0 0 "[ . 1 .]" 1
103 1 27 ASN H 1 28 GLU H 2.666 . 3.519 2.757 2.385 3.118 . 0 0 "[ . 1 .]" 1
104 1 28 GLU H 1 29 ASN H 3.230 . 4.482 4.480 4.382 4.535 0.053 4 0 "[ . 1 .]" 1
105 1 16 GLU H 1 17 TRP H 2.809 . 3.756 2.782 2.638 2.931 . 0 0 "[ . 1 .]" 1
106 1 18 LEU H 1 19 VAL H 2.844 . 3.815 2.847 2.764 2.941 . 0 0 "[ . 1 .]" 1
107 1 19 VAL H 1 20 SER H 2.778 . 3.704 2.802 2.613 2.965 . 0 0 "[ . 1 .]" 1
108 1 33 VAL H 1 34 SER H 2.679 . 3.540 2.492 2.367 2.640 . 0 0 "[ . 1 .]" 1
109 1 47 VAL H 1 48 TYR H 2.772 . 3.694 2.423 2.336 2.489 . 0 0 "[ . 1 .]" 1
110 1 39 ALA H 1 40 SER H 2.918 . 3.940 2.789 2.550 3.255 . 0 0 "[ . 1 .]" 1
111 1 31 LEU H 1 32 SER H 2.744 . 3.648 2.791 2.650 2.934 . 0 0 "[ . 1 .]" 1
112 1 46 TYR H 1 47 VAL H 2.768 . 3.687 2.634 2.562 2.716 . 0 0 "[ . 1 .]" 1
113 1 45 ASP H 1 46 TYR H 2.808 . 3.754 2.988 2.677 3.132 . 0 0 "[ . 1 .]" 1
114 1 29 ASN HA 1 30 TRP H 2.784 . 3.714 2.154 2.123 2.210 . 0 0 "[ . 1 .]" 1
115 1 23 VAL HA 1 23 VAL HB 2.883 . 3.880 3.020 3.010 3.025 . 0 0 "[ . 1 .]" 1
116 1 23 VAL H 1 23 VAL HA 2.694 . 3.565 2.852 2.810 2.896 . 0 0 "[ . 1 .]" 1
117 1 23 VAL H 1 23 VAL HB 2.588 . 3.392 2.462 2.401 2.545 . 0 0 "[ . 1 .]" 1
118 1 23 VAL H 1 23 VAL MG2 2.759 . 3.673 1.958 1.842 2.135 0.003 10 0 "[ . 1 .]" 1
119 1 23 VAL HA 1 23 VAL MG1 2.599 . 3.410 2.356 2.318 2.402 . 0 0 "[ . 1 .]" 1
120 1 23 VAL HB 1 23 VAL MG1 2.344 . 3.003 2.132 2.125 2.140 . 0 0 "[ . 1 .]" 1
121 1 23 VAL HA 1 23 VAL MG2 2.397 . 3.087 2.418 2.375 2.455 . 0 0 "[ . 1 .]" 1
122 1 23 VAL HB 1 23 VAL MG2 2.305 . 2.943 2.124 2.122 2.129 . 0 0 "[ . 1 .]" 1
123 1 26 HIS H 1 26 HIS HA 2.951 . 3.996 2.238 2.219 2.250 . 0 0 "[ . 1 .]" 1
124 1 26 HIS HA 1 27 ASN H 2.984 . 4.053 3.251 3.075 3.383 . 0 0 "[ . 1 .]" 1
125 1 26 HIS H 1 26 HIS HB3 3.169 . 4.374 3.097 3.022 3.166 . 0 0 "[ . 1 .]" 1
126 1 26 HIS HB3 1 27 ASN H 3.389 2.011 4.767 4.336 4.211 4.518 . 0 0 "[ . 1 .]" 1
127 1 27 ASN HA 1 28 GLU H 2.773 . 3.696 2.917 2.691 3.252 . 0 0 "[ . 1 .]" 1
128 1 21 ARG H 1 23 VAL H 3.362 2.005 4.719 4.254 3.957 4.495 . 0 0 "[ . 1 .]" 1
129 1 22 ILE H 1 22 ILE HA 2.298 . 2.932 2.938 2.922 2.951 0.019 3 0 "[ . 1 .]" 1
130 1 22 ILE HA 1 23 VAL H 2.982 . 4.049 3.545 3.526 3.575 . 0 0 "[ . 1 .]" 1
131 1 22 ILE H 1 22 ILE HB 2.446 . 3.164 2.628 2.509 2.704 . 0 0 "[ . 1 .]" 1
132 1 21 ARG H 1 21 ARG HA 2.426 . 3.132 2.826 2.792 2.844 . 0 0 "[ . 1 .]" 1
133 1 21 ARG HA 1 22 ILE H 2.416 . 3.117 3.388 3.343 3.441 0.324 13 0 "[ . 1 .]" 1
134 1 27 ASN HA 1 27 ASN QD 3.143 . 4.329 2.871 1.864 3.295 0.125 14 0 "[ . 1 .]" 1
135 1 27 ASN HB3 1 27 ASN QD 2.707 . 3.586 3.176 2.855 3.309 . 0 0 "[ . 1 .]" 1
136 1 27 ASN HB2 1 27 ASN QD 2.746 . 3.651 2.548 2.230 3.276 . 0 0 "[ . 1 .]" 1
137 1 27 ASN H 1 27 ASN HB3 2.809 . 3.756 3.490 3.386 3.612 . 0 0 "[ . 1 .]" 1
138 1 27 ASN H 1 27 ASN HB2 2.667 . 3.521 2.256 2.120 2.476 . 0 0 "[ . 1 .]" 1
139 1 29 ASN HB3 1 30 TRP H 3.350 2.004 4.696 3.789 3.172 4.309 . 0 0 "[ . 1 .]" 1
140 1 29 ASN HB2 1 30 TRP H 3.251 . 4.519 4.330 4.261 4.402 . 0 0 "[ . 1 .]" 1
141 1 43 TYR H 1 44 GLN H 2.742 . 3.644 2.713 2.631 2.820 . 0 0 "[ . 1 .]" 1
142 1 44 GLN H 1 45 ASP H 2.852 . 3.828 2.850 2.457 2.988 . 0 0 "[ . 1 .]" 1
143 1 45 ASP H 1 45 ASP HA 2.530 . 3.298 2.735 2.695 2.824 . 0 0 "[ . 1 .]" 1
144 1 45 ASP HA 1 46 TYR H 2.593 . 3.400 3.544 3.530 3.554 0.154 6 0 "[ . 1 .]" 1
145 1 45 ASP H 1 45 ASP HB3 2.656 . 3.502 2.981 2.260 3.582 0.080 4 0 "[ . 1 .]" 1
146 1 45 ASP H 1 45 ASP HB2 2.838 . 3.805 2.393 2.174 3.536 . 0 0 "[ . 1 .]" 1
147 1 45 ASP HB3 1 46 TYR H 3.020 . 4.115 2.731 2.219 3.810 . 0 0 "[ . 1 .]" 1
148 1 45 ASP HB2 1 46 TYR H 2.918 . 3.940 3.434 2.588 4.054 0.114 9 0 "[ . 1 .]" 1
149 1 45 ASP HA 1 45 ASP HB3 2.688 . 3.555 2.878 2.592 3.018 . 0 0 "[ . 1 .]" 1
150 1 45 ASP HA 1 45 ASP HB2 2.574 . 3.369 2.645 2.304 2.992 . 0 0 "[ . 1 .]" 1
151 1 44 GLN H 1 44 GLN HA 2.788 . 3.721 2.793 2.768 2.871 . 0 0 "[ . 1 .]" 1
152 1 44 GLN HE21 1 44 GLN HG3 2.918 . 3.940 3.003 2.258 3.485 . 0 0 "[ . 1 .]" 1
153 1 43 TYR HB3 1 44 GLN H 3.041 . 4.151 2.642 2.457 2.785 . 0 0 "[ . 1 .]" 1
154 1 43 TYR HB2 1 44 GLN H 3.086 . 4.229 3.971 3.847 4.061 . 0 0 "[ . 1 .]" 1
155 1 43 TYR H 1 43 TYR HB3 2.938 . 3.974 2.252 2.170 2.393 . 0 0 "[ . 1 .]" 1
156 1 43 TYR H 1 43 TYR HB2 2.933 . 3.965 2.793 2.626 2.897 . 0 0 "[ . 1 .]" 1
157 1 46 TYR H 1 46 TYR HA 2.787 . 3.719 2.838 2.813 2.864 . 0 0 "[ . 1 .]" 1
158 1 46 TYR HA 1 47 VAL H 2.999 . 4.078 3.505 3.485 3.516 . 0 0 "[ . 1 .]" 1
159 1 47 VAL HA 1 47 VAL MG1 2.257 . 2.869 2.501 2.463 2.540 . 0 0 "[ . 1 .]" 1
160 1 47 VAL HA 1 47 VAL MG2 2.331 . 2.983 2.323 2.284 2.371 . 0 0 "[ . 1 .]" 1
161 1 47 VAL HB 1 47 VAL MG2 2.279 . 2.902 2.125 2.122 2.127 . 0 0 "[ . 1 .]" 1
162 1 47 VAL HB 1 47 VAL MG1 2.275 . 2.896 2.126 2.123 2.129 . 0 0 "[ . 1 .]" 1
163 1 47 VAL HA 1 47 VAL HB 2.304 . 2.941 3.015 3.009 3.021 0.080 4 0 "[ . 1 .]" 1
164 1 47 VAL H 1 47 VAL HA 2.897 . 3.904 2.840 2.820 2.857 . 0 0 "[ . 1 .]" 1
165 1 47 VAL H 1 47 VAL HB 2.575 . 3.371 2.424 2.370 2.477 . 0 0 "[ . 1 .]" 1
166 1 47 VAL H 1 47 VAL MG2 2.633 . 3.465 2.343 2.250 2.438 . 0 0 "[ . 1 .]" 1
167 1 47 VAL HA 1 48 TYR H 2.767 . 3.686 3.409 3.389 3.439 . 0 0 "[ . 1 .]" 1
168 1 47 VAL HB 1 48 TYR H 2.744 . 3.648 3.103 3.048 3.230 . 0 0 "[ . 1 .]" 1
169 1 27 ASN HA 1 27 ASN HB3 2.327 . 2.977 2.629 2.455 2.718 . 0 0 "[ . 1 .]" 1
170 1 27 ASN HA 1 27 ASN HB2 2.419 . 3.121 2.970 2.927 3.007 . 0 0 "[ . 1 .]" 1
171 1 30 TRP H 1 31 LEU H 3.346 2.003 4.689 3.139 3.031 3.257 . 0 0 "[ . 1 .]" 1
172 1 42 GLU H 1 43 TYR H 2.823 . 3.780 2.779 2.564 3.035 . 0 0 "[ . 1 .]" 1
173 1 30 TRP HA 1 30 TRP HD1 3.118 . 4.284 4.641 4.613 4.673 0.389 6 0 "[ . 1 .]" 1
174 1 30 TRP HB2 1 30 TRP HD1 2.624 . 3.450 3.502 3.476 3.532 0.082 15 0 "[ . 1 .]" 1
175 1 30 TRP HB3 1 30 TRP HD1 2.480 . 3.218 2.440 2.411 2.455 . 0 0 "[ . 1 .]" 1
176 1 30 TRP H 1 30 TRP HD1 3.373 2.008 4.738 4.773 4.739 4.817 0.079 7 0 "[ . 1 .]" 1
177 1 17 TRP H 1 17 TRP HA 2.637 . 3.471 2.857 2.835 2.869 . 0 0 "[ . 1 .]" 1
178 1 17 TRP HA 1 18 LEU H 3.029 . 4.130 3.542 3.526 3.563 . 0 0 "[ . 1 .]" 1
179 1 17 TRP HA 1 17 TRP HB3 2.841 . 3.809 2.976 2.968 2.981 . 0 0 "[ . 1 .]" 1
180 1 17 TRP HA 1 17 TRP HB2 2.645 . 3.485 2.329 2.321 2.342 . 0 0 "[ . 1 .]" 1
181 1 17 TRP H 1 17 TRP HB3 2.685 . 3.550 2.313 2.262 2.353 . 0 0 "[ . 1 .]" 1
182 1 17 TRP H 1 17 TRP HB2 2.617 . 3.439 2.990 2.945 3.031 . 0 0 "[ . 1 .]" 1
183 1 17 TRP HB3 1 18 LEU H 3.111 . 4.273 2.770 2.579 2.871 . 0 0 "[ . 1 .]" 1
184 1 17 TRP HB2 1 18 LEU H 3.002 . 4.083 4.069 3.948 4.136 0.053 10 0 "[ . 1 .]" 1
185 1 17 TRP HA 1 17 TRP HD1 2.270 . 2.888 2.846 2.767 2.895 0.007 6 0 "[ . 1 .]" 1
186 1 17 TRP HB3 1 17 TRP HD1 2.628 . 3.457 3.828 3.819 3.840 0.383 2 0 "[ . 1 .]" 1
187 1 17 TRP HB2 1 17 TRP HD1 2.520 . 3.282 2.907 2.862 2.968 . 0 0 "[ . 1 .]" 1
188 1 17 TRP HB3 1 17 TRP HE3 2.713 . 3.596 2.238 2.196 2.264 . 0 0 "[ . 1 .]" 1
189 1 17 TRP HB2 1 17 TRP HE3 2.591 . 3.397 3.728 3.668 3.769 0.372 6 0 "[ . 1 .]" 1
190 1 17 TRP H 1 17 TRP HE3 2.847 . 3.820 4.069 3.994 4.150 0.330 15 0 "[ . 1 .]" 1
191 1 17 TRP H 1 18 LEU H 2.844 . 3.815 2.518 2.452 2.631 . 0 0 "[ . 1 .]" 1
192 1 15 TYR QD 1 16 GLU H 3.027 . 4.127 3.281 3.013 3.466 . 0 0 "[ . 1 .]" 1
193 1 48 TYR H 1 48 TYR QD 2.686 . 3.552 3.865 3.799 3.937 0.385 9 0 "[ . 1 .]" 1
194 1 48 TYR H 1 48 TYR HB3 2.470 . 3.202 2.101 2.061 2.139 . 0 0 "[ . 1 .]" 1
195 1 48 TYR H 1 48 TYR HB2 2.235 . 2.834 2.797 2.648 2.868 0.034 7 0 "[ . 1 .]" 1
196 1 48 TYR HA 1 48 TYR QD 2.251 . 2.859 2.941 2.898 2.975 0.116 12 0 "[ . 1 .]" 1
197 1 48 TYR HB3 1 48 TYR QD 2.366 . 3.037 2.277 2.260 2.291 . 0 0 "[ . 1 .]" 1
198 1 48 TYR HB2 1 48 TYR QD 2.480 . 3.218 2.453 2.428 2.489 . 0 0 "[ . 1 .]" 1
199 1 48 TYR HA 1 48 TYR HB3 2.482 . 3.221 2.987 2.975 3.001 . 0 0 "[ . 1 .]" 1
200 1 48 TYR HA 1 48 TYR HB2 2.680 . 3.542 2.314 2.292 2.350 . 0 0 "[ . 1 .]" 1
201 1 45 ASP HA 1 48 TYR H 2.894 . 3.899 3.562 3.334 3.696 . 0 0 "[ . 1 .]" 1
202 1 45 ASP HA 1 48 TYR HB3 2.976 . 4.039 2.442 2.203 2.640 . 0 0 "[ . 1 .]" 1
203 1 45 ASP HA 1 48 TYR HB2 3.059 . 4.182 3.540 3.214 3.922 . 0 0 "[ . 1 .]" 1
204 1 43 TYR HA 1 43 TYR QD 2.478 . 3.215 3.113 2.991 3.243 0.028 13 0 "[ . 1 .]" 1
205 1 43 TYR HB3 1 43 TYR QD 2.667 . 3.521 2.420 2.368 2.480 . 0 0 "[ . 1 .]" 1
206 1 43 TYR HB2 1 43 TYR QD 2.597 . 3.407 2.392 2.346 2.439 . 0 0 "[ . 1 .]" 1
207 1 43 TYR HB2 1 43 TYR QE 3.333 . 4.666 4.418 4.403 4.435 . 0 0 "[ . 1 .]" 1
208 1 46 TYR H 1 46 TYR QD 3.095 . 4.244 4.226 4.208 4.247 0.003 9 0 "[ . 1 .]" 1
209 1 46 TYR HB3 1 47 VAL H 2.897 . 3.904 2.751 2.651 2.868 . 0 0 "[ . 1 .]" 1
210 1 46 TYR HB2 1 47 VAL H 3.286 . 4.582 3.992 3.937 4.044 . 0 0 "[ . 1 .]" 1
211 1 46 TYR H 1 46 TYR HB3 2.481 . 3.220 2.531 2.463 2.635 . 0 0 "[ . 1 .]" 1
212 1 46 TYR HB2 1 46 TYR QD 2.989 . 4.061 2.490 2.439 2.527 . 0 0 "[ . 1 .]" 1
213 1 46 TYR HB3 1 46 TYR QD 2.883 . 3.880 2.333 2.312 2.367 . 0 0 "[ . 1 .]" 1
214 1 46 TYR HA 1 46 TYR QD 2.724 . 3.615 2.696 2.621 2.807 . 0 0 "[ . 1 .]" 1
215 1 46 TYR HB3 1 46 TYR QE 3.575 2.041 5.109 4.403 4.394 4.414 . 0 0 "[ . 1 .]" 1
216 1 46 TYR HB2 1 46 TYR QE 3.350 2.004 4.696 4.445 4.431 4.455 . 0 0 "[ . 1 .]" 1
217 1 59 PHE HB3 1 59 PHE QD 2.553 . 3.335 2.315 2.285 2.352 . 0 0 "[ . 1 .]" 1
218 1 59 PHE HB2 1 59 PHE QD 2.566 . 3.356 2.530 2.471 2.598 . 0 0 "[ . 1 .]" 1
219 1 59 PHE HA 1 59 PHE QD 2.533 . 3.303 2.706 2.594 2.833 . 0 0 "[ . 1 .]" 1
220 1 59 PHE H 1 59 PHE HA 2.836 . 3.801 2.765 2.748 2.789 . 0 0 "[ . 1 .]" 1
221 1 59 PHE H 1 59 PHE HB3 2.789 . 3.722 2.356 2.292 2.424 . 0 0 "[ . 1 .]" 1
222 1 59 PHE H 1 59 PHE HB2 2.793 . 3.729 2.686 2.586 2.756 . 0 0 "[ . 1 .]" 1
223 1 59 PHE HA 1 60 LEU H 2.871 . 3.860 3.550 3.533 3.562 . 0 0 "[ . 1 .]" 1
224 1 59 PHE HB3 1 60 LEU H 3.243 . 4.505 2.484 2.334 2.628 . 0 0 "[ . 1 .]" 1
225 1 59 PHE HB2 1 60 LEU H 2.889 . 3.891 3.869 3.769 3.964 0.073 5 0 "[ . 1 .]" 1
226 1 59 PHE HA 1 59 PHE HB2 2.823 . 3.780 2.364 2.330 2.399 . 0 0 "[ . 1 .]" 1
227 1 36 LYS H 1 37 MET H 2.601 . 3.413 2.885 2.698 3.075 . 0 0 "[ . 1 .]" 1
228 1 19 VAL H 1 19 VAL HA 2.568 . 3.359 2.804 2.787 2.835 . 0 0 "[ . 1 .]" 1
229 1 19 VAL H 1 19 VAL HB 2.462 . 3.189 2.446 2.268 2.558 . 0 0 "[ . 1 .]" 1
230 1 19 VAL H 1 19 VAL MG2 2.880 . 3.875 2.627 2.161 3.714 . 0 0 "[ . 1 .]" 1
231 1 19 VAL HB 1 20 SER H 2.665 . 3.517 2.968 2.567 3.762 0.245 10 0 "[ . 1 .]" 1
232 1 19 VAL MG1 1 20 SER H 2.907 . 3.921 2.961 2.043 3.500 . 0 0 "[ . 1 .]" 1
233 1 19 VAL HA 1 20 SER H 2.810 . 3.758 3.571 3.517 3.623 . 0 0 "[ . 1 .]" 1
234 1 20 SER H 1 20 SER HA 2.601 . 3.413 2.856 2.841 2.877 . 0 0 "[ . 1 .]" 1
235 1 20 SER H 1 20 SER HB2 2.709 . 3.590 3.601 3.580 3.626 0.036 5 0 "[ . 1 .]" 1
236 1 20 SER H 1 20 SER HB3 2.638 . 3.473 2.580 2.459 2.732 . 0 0 "[ . 1 .]" 1
237 1 20 SER HB3 1 21 ARG H 3.012 . 4.100 4.130 4.043 4.200 0.100 10 0 "[ . 1 .]" 1
238 1 20 SER HB2 1 21 ARG H 3.059 . 4.182 4.083 3.858 4.168 . 0 0 "[ . 1 .]" 1
239 1 20 SER HA 1 21 ARG H 2.706 . 3.585 3.413 3.347 3.449 . 0 0 "[ . 1 .]" 1
240 1 20 SER HA 1 20 SER HB3 2.613 . 3.432 2.462 2.389 2.519 . 0 0 "[ . 1 .]" 1
241 1 21 ARG H 1 21 ARG QB 3.183 . 3.314 2.144 2.015 2.222 . 0 0 "[ . 1 .]" 1
242 1 21 ARG HA 1 21 ARG QB 2.504 . 3.002 2.169 2.141 2.220 . 0 0 "[ . 1 .]" 1
243 1 21 ARG QB 1 21 ARG HD3 3.078 . 4.215 2.491 2.357 2.682 . 0 0 "[ . 1 .]" 1
244 1 21 ARG QB 1 21 ARG HD2 3.275 . 4.562 2.290 2.189 2.430 . 0 0 "[ . 1 .]" 1
245 1 21 ARG HA 1 21 ARG HG2 2.572 . 3.366 3.686 3.526 3.752 0.386 4 0 "[ . 1 .]" 1
246 1 21 ARG HD3 1 21 ARG HG2 2.949 . 3.993 2.387 2.271 2.473 . 0 0 "[ . 1 .]" 1
247 1 21 ARG HD2 1 21 ARG HG2 2.830 . 3.791 2.990 2.942 3.004 . 0 0 "[ . 1 .]" 1
248 1 21 ARG H 1 21 ARG HG2 2.663 . 3.514 3.024 2.739 3.739 0.225 15 0 "[ . 1 .]" 1
249 1 21 ARG HG2 1 22 ILE H 2.800 . 3.741 2.806 2.675 2.937 . 0 0 "[ . 1 .]" 1
250 1 21 ARG QB 1 22 ILE H 3.098 . 4.243 3.362 2.920 3.548 . 0 0 "[ . 1 .]" 1
251 1 22 ILE HA 1 22 ILE HB 2.381 . 3.061 3.007 2.994 3.015 . 0 0 "[ . 1 .]" 1
252 1 22 ILE HA 1 22 ILE HG13 2.704 . 3.581 3.770 3.683 3.825 0.244 2 0 "[ . 1 .]" 1
253 1 22 ILE HA 1 22 ILE MG 2.121 . 2.661 2.307 2.195 2.425 . 0 0 "[ . 1 .]" 1
254 1 22 ILE HA 1 22 ILE MD 2.290 . 2.919 2.305 1.966 2.524 . 0 0 "[ . 1 .]" 1
255 1 22 ILE HB 1 22 ILE HG13 2.540 . 3.314 2.345 2.270 2.445 . 0 0 "[ . 1 .]" 1
256 1 22 ILE HB 1 22 ILE MG 2.125 . 2.667 2.126 2.123 2.129 . 0 0 "[ . 1 .]" 1
257 1 22 ILE MD 1 22 ILE MG 1.924 . 2.368 1.887 1.797 2.007 . 0 0 "[ . 1 .]" 1
258 1 22 ILE HB 1 22 ILE HG12 2.549 . 3.329 2.554 2.440 2.647 . 0 0 "[ . 1 .]" 1
259 1 22 ILE MD 1 22 ILE HG13 2.229 . 2.825 2.115 2.102 2.126 . 0 0 "[ . 1 .]" 1
260 1 22 ILE MD 1 22 ILE HG12 2.281 . 2.906 2.112 2.108 2.115 . 0 0 "[ . 1 .]" 1
261 1 22 ILE HG12 1 22 ILE MG 2.303 . 2.939 3.155 3.114 3.197 0.258 5 0 "[ . 1 .]" 1
262 1 22 ILE H 1 22 ILE HG12 2.928 . 3.957 2.359 2.070 2.650 . 0 0 "[ . 1 .]" 1
263 1 22 ILE H 1 22 ILE HG13 2.498 . 3.247 3.612 3.359 3.989 0.742 5 6 "[ **+* * 1 -]" 1
264 1 23 VAL MG1 1 24 LYS H 3.367 2.007 4.727 3.125 2.620 3.462 . 0 0 "[ . 1 .]" 1
265 1 22 ILE MG 1 23 VAL H 2.801 . 3.742 3.110 2.768 3.415 . 0 0 "[ . 1 .]" 1
266 1 22 ILE HA 1 22 ILE HG12 2.646 . 3.486 2.939 2.715 3.118 . 0 0 "[ . 1 .]" 1
267 1 42 GLU H 1 42 GLU HA 2.778 . 3.704 2.782 2.731 2.826 . 0 0 "[ . 1 .]" 1
268 1 39 ALA HA 1 40 SER H 2.744 . 3.648 3.100 2.762 3.364 . 0 0 "[ . 1 .]" 1
269 1 40 SER H 1 40 SER HB3 2.844 . 3.815 3.792 3.685 3.864 0.049 8 0 "[ . 1 .]" 1
270 1 40 SER H 1 40 SER HB2 2.782 . 3.710 2.737 2.504 2.881 . 0 0 "[ . 1 .]" 1
271 1 41 PRO HA 1 42 GLU H 2.840 . 3.808 3.462 3.393 3.515 . 0 0 "[ . 1 .]" 1
272 1 42 GLU HA 1 43 TYR H 3.347 2.002 4.692 3.522 3.488 3.561 . 0 0 "[ . 1 .]" 1
273 1 43 TYR HA 1 44 GLN H 3.395 2.012 4.778 3.538 3.515 3.553 . 0 0 "[ . 1 .]" 1
274 1 44 GLN HA 1 45 ASP H 2.935 . 3.969 3.506 3.432 3.533 . 0 0 "[ . 1 .]" 1
275 1 44 GLN H 1 44 GLN HB3 2.944 . 3.984 3.528 2.793 3.597 . 0 0 "[ . 1 .]" 1
276 1 44 GLN H 1 44 GLN HG2 2.838 . 3.805 1.968 1.805 2.129 0.066 3 0 "[ . 1 .]" 1
277 1 44 GLN HB3 1 45 ASP H 3.015 . 4.106 3.210 2.908 4.194 0.088 3 0 "[ . 1 .]" 1
278 1 44 GLN HG2 1 45 ASP H 2.838 . 3.805 3.897 3.029 4.090 0.285 12 0 "[ . 1 .]" 1
279 1 44 GLN HG3 1 45 ASP H 3.280 . 4.571 4.075 2.836 4.562 . 0 0 "[ . 1 .]" 1
280 1 44 GLN HA 1 44 GLN HG3 2.874 . 3.865 3.793 3.724 3.837 . 0 0 "[ . 1 .]" 1
281 1 44 GLN HA 1 44 GLN HG2 2.812 . 3.761 2.959 2.805 3.657 . 0 0 "[ . 1 .]" 1
282 1 44 GLN HA 1 44 GLN HB3 2.682 . 3.545 2.434 2.333 2.486 . 0 0 "[ . 1 .]" 1
283 1 44 GLN HA 1 44 GLN HB2 2.769 . 3.689 2.982 2.511 3.022 . 0 0 "[ . 1 .]" 1
284 1 48 TYR HB3 1 49 LEU H 3.017 . 4.109 2.427 2.345 2.491 . 0 0 "[ . 1 .]" 1
285 1 48 TYR HB2 1 49 LEU H 2.733 . 3.629 3.808 3.770 3.842 0.213 1 0 "[ . 1 .]" 1
286 1 48 TYR HA 1 49 LEU H 3.050 . 4.166 3.538 3.524 3.563 . 0 0 "[ . 1 .]" 1
287 1 56 LYS H 1 56 LYS HA 2.863 . 3.846 2.788 2.736 2.825 . 0 0 "[ . 1 .]" 1
288 1 55 ALA HA 1 56 LYS H 3.213 . 4.452 3.567 3.516 3.614 . 0 0 "[ . 1 .]" 1
289 1 56 LYS H 1 56 LYS HB3 2.761 . 3.676 2.556 2.323 3.180 . 0 0 "[ . 1 .]" 1
290 1 56 LYS H 1 56 LYS HB2 2.921 . 3.945 2.416 1.972 2.702 . 0 0 "[ . 1 .]" 1
291 1 55 ALA MB 1 56 LYS H 2.526 . 3.292 2.587 2.470 2.746 . 0 0 "[ . 1 .]" 1
292 1 56 LYS HB3 1 57 LYS H 2.647 . 3.488 2.253 2.036 2.571 . 0 0 "[ . 1 .]" 1
293 1 56 LYS HB2 1 57 LYS H 2.908 . 3.923 3.604 2.869 3.921 . 0 0 "[ . 1 .]" 1
294 1 56 LYS HA 1 57 LYS H 3.306 . 4.617 3.568 3.532 3.600 . 0 0 "[ . 1 .]" 1
295 1 57 LYS H 1 57 LYS HA 2.508 . 3.263 2.730 2.693 2.773 . 0 0 "[ . 1 .]" 1
296 1 57 LYS H 1 57 LYS QG 2.892 . 3.895 3.003 1.795 3.863 0.148 3 0 "[ . 1 .]" 1
297 1 57 LYS H 1 57 LYS HB2 2.350 . 3.013 2.111 1.849 2.429 . 0 0 "[ . 1 .]" 1
298 1 57 LYS HA 1 58 LEU H 2.957 . 4.007 3.536 3.522 3.562 . 0 0 "[ . 1 .]" 1
299 1 58 LEU H 1 58 LEU HA 2.648 . 3.490 2.822 2.797 2.849 . 0 0 "[ . 1 .]" 1
300 1 58 LEU HA 1 58 LEU HB3 2.642 . 3.480 3.022 3.012 3.038 . 0 0 "[ . 1 .]" 1
301 1 58 LEU HA 1 58 LEU HB2 2.616 . 3.437 2.528 2.501 2.559 . 0 0 "[ . 1 .]" 1
302 1 58 LEU HA 1 58 LEU HG 2.718 . 3.605 3.452 3.393 3.519 . 0 0 "[ . 1 .]" 1
303 1 58 LEU HA 1 58 LEU MD1 2.653 . 3.498 1.978 1.893 2.070 . 0 0 "[ . 1 .]" 1
304 1 58 LEU H 1 58 LEU HB3 2.637 . 3.472 2.565 2.500 2.651 . 0 0 "[ . 1 .]" 1
305 1 58 LEU HB3 1 58 LEU HG 2.318 . 2.963 2.261 2.245 2.282 . 0 0 "[ . 1 .]" 1
306 1 58 LEU HB3 1 58 LEU MD1 2.836 . 3.801 3.145 3.124 3.169 . 0 0 "[ . 1 .]" 1
307 1 58 LEU HB3 1 58 LEU MD2 2.787 . 3.719 2.582 2.537 2.610 . 0 0 "[ . 1 .]" 1
308 1 58 LEU HB2 1 58 LEU HG 2.523 . 3.287 2.940 2.930 2.955 . 0 0 "[ . 1 .]" 1
309 1 58 LEU H 1 58 LEU HB2 2.709 . 3.589 2.390 2.305 2.447 . 0 0 "[ . 1 .]" 1
310 1 58 LEU MD1 1 58 LEU HG 2.198 . 2.778 2.143 2.136 2.147 . 0 0 "[ . 1 .]" 1
311 1 58 LEU MD2 1 58 LEU HG 2.132 . 2.678 2.123 2.119 2.127 . 0 0 "[ . 1 .]" 1
312 1 58 LEU MD2 1 59 PHE H 3.262 . 4.539 4.591 4.560 4.620 0.081 9 0 "[ . 1 .]" 1
313 1 58 LEU HG 1 59 PHE H 2.876 . 3.869 3.899 3.848 3.941 0.072 15 0 "[ . 1 .]" 1
314 1 58 LEU HB2 1 59 PHE H 3.420 2.017 4.823 3.700 3.626 3.777 . 0 0 "[ . 1 .]" 1
315 1 58 LEU HB3 1 59 PHE H 3.185 . 4.402 2.412 2.346 2.485 . 0 0 "[ . 1 .]" 1
316 1 58 LEU HA 1 59 PHE H 3.220 . 4.464 3.554 3.535 3.570 . 0 0 "[ . 1 .]" 1
317 1 61 GLN H 1 61 GLN HA 2.527 . 3.293 2.762 2.741 2.791 . 0 0 "[ . 1 .]" 1
318 1 60 LEU H 1 60 LEU HA 2.827 . 3.786 2.768 2.753 2.788 . 0 0 "[ . 1 .]" 1
319 1 60 LEU HA 1 61 GLN H 3.123 . 4.294 3.542 3.521 3.569 . 0 0 "[ . 1 .]" 1
320 1 60 LEU H 1 60 LEU MD2 2.658 . 3.506 2.176 2.125 2.241 . 0 0 "[ . 1 .]" 1
321 1 60 LEU H 1 60 LEU HB3 2.944 . 3.984 3.516 3.491 3.535 . 0 0 "[ . 1 .]" 1
322 1 60 LEU H 1 60 LEU HB2 2.581 . 3.380 2.241 2.203 2.274 . 0 0 "[ . 1 .]" 1
323 1 60 LEU HG 1 61 GLN H 3.254 . 4.525 4.723 4.684 4.755 0.230 6 0 "[ . 1 .]" 1
324 1 60 LEU HB3 1 61 GLN H 3.420 2.016 4.824 2.941 2.886 3.016 . 0 0 "[ . 1 .]" 1
325 1 60 LEU HB2 1 61 GLN H 2.854 . 3.832 2.489 2.433 2.523 . 0 0 "[ . 1 .]" 1
326 1 60 LEU MD2 1 61 GLN H 3.377 2.008 4.746 4.133 4.082 4.179 . 0 0 "[ . 1 .]" 1
327 1 61 GLN H 1 61 GLN HB3 2.631 . 3.462 3.366 2.323 3.624 0.162 6 0 "[ . 1 .]" 1
328 1 61 GLN H 1 61 GLN HG2 2.823 . 3.779 2.350 1.916 3.242 . 0 0 "[ . 1 .]" 1
329 1 61 GLN H 1 61 GLN HG3 2.620 . 3.444 3.035 1.973 3.601 0.157 9 0 "[ . 1 .]" 1
330 1 61 GLN HA 1 61 GLN HG3 2.959 . 4.010 3.574 3.118 3.843 . 0 0 "[ . 1 .]" 1
331 1 61 GLN HA 1 61 GLN HG2 2.626 . 3.454 2.990 2.449 3.832 0.378 9 0 "[ . 1 .]" 1
332 1 61 GLN HA 1 61 GLN HB3 2.882 . 3.879 2.454 2.351 2.548 . 0 0 "[ . 1 .]" 1
333 1 61 GLN HB2 1 61 GLN HG3 2.422 . 3.126 2.353 2.268 2.441 . 0 0 "[ . 1 .]" 1
334 1 62 HIS HA 1 62 HIS HB2 2.816 . 3.768 2.544 2.472 2.595 . 0 0 "[ . 1 .]" 1
335 1 62 HIS HA 1 62 HIS HB3 2.663 . 3.514 3.025 3.016 3.037 . 0 0 "[ . 1 .]" 1
336 1 62 HIS H 1 62 HIS HB2 2.596 . 3.405 2.480 2.423 2.583 . 0 0 "[ . 1 .]" 1
337 1 62 HIS H 1 62 HIS HB3 2.608 . 3.424 2.763 2.643 2.877 . 0 0 "[ . 1 .]" 1
338 1 62 HIS HB3 1 63 ILE H 2.742 . 3.644 2.615 2.491 2.816 . 0 0 "[ . 1 .]" 1
339 1 62 HIS HB2 1 63 ILE H 3.219 . 4.462 3.800 3.715 3.990 . 0 0 "[ . 1 .]" 1
340 1 62 HIS HA 1 63 ILE H 2.976 . 4.039 3.532 3.506 3.549 . 0 0 "[ . 1 .]" 1
341 1 63 ILE H 1 63 ILE HA 2.715 . 3.599 2.756 2.739 2.783 . 0 0 "[ . 1 .]" 1
342 1 63 ILE H 1 63 ILE HB 2.469 . 3.200 2.467 2.398 2.540 . 0 0 "[ . 1 .]" 1
343 1 63 ILE HA 1 63 ILE HB 2.645 . 3.485 2.997 2.988 3.006 . 0 0 "[ . 1 .]" 1
344 1 63 ILE HA 1 63 ILE MD 2.305 . 2.943 1.813 1.714 2.002 . 0 0 "[ . 1 .]" 1
345 1 63 ILE HA 1 63 ILE MG 2.274 . 2.895 2.471 2.384 2.556 . 0 0 "[ . 1 .]" 1
346 1 63 ILE HA 1 64 HIS H 2.574 . 3.369 3.526 3.513 3.540 0.171 4 0 "[ . 1 .]" 1
347 1 64 HIS H 1 64 HIS HA 2.450 . 3.170 2.838 2.787 2.873 . 0 0 "[ . 1 .]" 1
348 1 64 HIS HA 1 64 HIS HB2 2.611 . 3.429 2.391 2.365 2.438 . 0 0 "[ . 1 .]" 1
349 1 64 HIS HA 1 64 HIS HB3 2.488 . 3.231 3.015 2.999 3.031 . 0 0 "[ . 1 .]" 1
350 1 64 HIS H 1 64 HIS HB2 2.641 . 3.478 2.686 2.589 2.750 . 0 0 "[ . 1 .]" 1
351 1 64 HIS H 1 64 HIS HB3 2.457 . 3.181 2.259 2.170 2.346 . 0 0 "[ . 1 .]" 1
352 1 64 HIS HB3 1 65 ARG H 2.800 . 3.740 2.393 2.234 2.507 . 0 0 "[ . 1 .]" 1
353 1 64 HIS HB2 1 65 ARG H 3.316 . 4.636 3.781 3.668 3.860 . 0 0 "[ . 1 .]" 1
354 1 65 ARG H 1 65 ARG HA 2.408 . 3.104 2.720 2.680 2.763 . 0 0 "[ . 1 .]" 1
355 1 64 HIS HA 1 65 ARG H 2.907 . 3.921 3.519 3.462 3.557 . 0 0 "[ . 1 .]" 1
356 1 65 ARG HA 1 65 ARG HB3 2.045 . 2.547 2.408 2.355 2.511 . 0 0 "[ . 1 .]" 1
357 1 65 ARG HA 1 65 ARG HG2 2.218 . 2.808 2.603 2.160 3.268 0.460 10 0 "[ . 1 .]" 1
358 1 65 ARG HB3 1 65 ARG HG2 2.014 . 2.501 2.480 2.170 2.984 0.483 12 0 "[ . 1 .]" 1
359 1 65 ARG H 1 65 ARG HB3 2.504 . 3.256 3.430 3.368 3.484 0.228 14 0 "[ . 1 .]" 1
360 1 65 ARG H 1 65 ARG HG3 2.901 . 3.911 2.304 1.841 3.351 0.050 4 0 "[ . 1 .]" 1
361 1 65 ARG HB3 1 66 LEU H 3.311 . 4.627 3.320 3.057 3.553 . 0 0 "[ . 1 .]" 1
362 1 66 LEU H 1 66 LEU HA 2.569 . 3.361 2.740 2.637 2.783 . 0 0 "[ . 1 .]" 1
363 1 65 ARG HA 1 66 LEU H 2.703 . 3.580 3.496 3.474 3.525 . 0 0 "[ . 1 .]" 1
364 1 66 LEU HA 1 67 LYS H 2.589 . 3.393 3.464 3.429 3.474 0.081 10 0 "[ . 1 .]" 1
365 1 66 LEU HA 1 66 LEU HG 2.655 . 3.501 3.014 2.869 3.468 . 0 0 "[ . 1 .]" 1
366 1 66 LEU HA 1 66 LEU HB3 2.470 . 3.202 2.547 2.476 2.846 . 0 0 "[ . 1 .]" 1
367 1 66 LEU HA 1 66 LEU HB2 2.722 . 3.611 2.980 2.828 3.007 . 0 0 "[ . 1 .]" 1
368 1 66 LEU HA 1 66 LEU QD 1.926 . 2.371 1.879 1.397 2.087 0.084 12 0 "[ . 1 .]" 1
369 1 66 LEU H 1 66 LEU HG 2.700 . 3.575 2.324 1.922 4.386 0.811 15 2 "[ . 1 - +]" 1
370 1 66 LEU HB2 1 66 LEU QD 2.445 . 3.162 2.220 2.064 2.274 . 0 0 "[ . 1 .]" 1
371 1 66 LEU HB3 1 66 LEU QD 2.386 . 2.802 2.148 2.060 2.582 . 0 0 "[ . 1 .]" 1
372 1 66 LEU H 1 66 LEU QD 2.697 . 3.343 2.888 2.530 2.993 . 0 0 "[ . 1 .]" 1
373 1 66 LEU H 1 66 LEU HB3 2.736 . 3.634 3.521 3.288 3.568 . 0 0 "[ . 1 .]" 1
374 1 66 LEU H 1 66 LEU HB2 2.662 . 3.513 2.410 1.981 2.558 . 0 0 "[ . 1 .]" 1
375 1 66 LEU HG 1 67 LYS H 2.822 . 3.778 4.079 3.984 4.170 0.392 8 0 "[ . 1 .]" 1
376 1 66 LEU HB2 1 67 LYS H 2.939 . 3.976 2.309 2.207 2.512 . 0 0 "[ . 1 .]" 1
377 1 66 LEU HB3 1 67 LYS H 2.924 . 3.950 3.145 1.830 3.554 0.068 15 0 "[ . 1 .]" 1
378 1 68 HIS H 1 68 HIS HA 2.587 . 3.390 2.766 2.733 2.834 . 0 0 "[ . 1 .]" 1
379 1 68 HIS HA 1 68 HIS HB3 2.316 . 2.960 2.370 2.350 2.393 . 0 0 "[ . 1 .]" 1
380 1 68 HIS HA 1 68 HIS HB2 2.470 . 3.202 2.489 2.466 2.509 . 0 0 "[ . 1 .]" 1
381 1 68 HIS H 1 68 HIS HB3 2.771 . 3.692 3.599 3.492 3.664 . 0 0 "[ . 1 .]" 1
382 1 68 HIS H 1 68 HIS HB2 2.741 . 3.643 3.943 3.871 3.981 0.338 13 0 "[ . 1 .]" 1
383 1 68 HIS HB2 1 69 GLU H 3.140 . 4.323 3.880 3.636 4.030 . 0 0 "[ . 1 .]" 1
384 1 68 HIS HB3 1 69 GLU H 3.211 . 4.448 4.431 4.334 4.495 0.047 13 0 "[ . 1 .]" 1
385 1 68 HIS HA 1 69 GLU H 2.358 . 3.025 2.203 2.148 2.259 . 0 0 "[ . 1 .]" 1
386 1 69 GLU HA 1 69 GLU HB3 2.203 . 2.785 2.874 2.614 2.987 0.202 13 0 "[ . 1 .]" 1
387 1 69 GLU HA 1 69 GLU HB2 2.316 . 2.960 2.754 2.574 2.952 . 0 0 "[ . 1 .]" 1
388 1 69 GLU H 1 69 GLU HB3 2.599 . 3.410 3.094 2.842 3.456 0.046 10 0 "[ . 1 .]" 1
389 1 69 GLU H 1 69 GLU HB2 2.289 . 2.918 2.276 2.062 2.519 . 0 0 "[ . 1 .]" 1
390 1 49 LEU HA 1 50 GLU H 2.919 . 3.942 3.525 3.499 3.538 . 0 0 "[ . 1 .]" 1
391 1 49 LEU HB2 1 50 GLU H 2.914 . 3.933 2.037 1.828 3.422 0.067 5 0 "[ . 1 .]" 1
392 1 49 LEU MD1 1 50 GLU H 3.295 . 4.598 3.642 1.916 3.847 0.076 8 0 "[ . 1 .]" 1
393 1 49 LEU H 1 49 LEU MD1 2.941 . 3.979 3.389 2.505 3.549 . 0 0 "[ . 1 .]" 1
394 1 49 LEU H 1 49 LEU HB3 2.909 . 3.924 3.571 3.206 3.606 . 0 0 "[ . 1 .]" 1
395 1 49 LEU H 1 49 LEU HB2 2.768 . 3.687 2.749 2.668 3.501 . 0 0 "[ . 1 .]" 1
396 1 49 LEU HA 1 49 LEU HB2 2.317 . 2.961 2.983 2.682 3.010 0.049 5 0 "[ . 1 .]" 1
397 1 49 LEU MD2 1 50 GLU H 3.359 2.005 4.713 4.428 4.333 4.467 . 0 0 "[ . 1 .]" 1
398 1 49 LEU H 1 49 LEU MD2 2.834 . 3.798 3.079 2.972 3.410 . 0 0 "[ . 1 .]" 1
399 1 50 GLU H 1 50 GLU HA 2.868 . 3.855 2.905 2.879 2.928 . 0 0 "[ . 1 .]" 1
400 1 50 GLU HA 1 50 GLU HG3 2.920 . 3.943 3.657 3.021 3.786 . 0 0 "[ . 1 .]" 1
401 1 50 GLU HA 1 50 GLU HG2 2.929 . 3.958 2.960 2.643 3.852 . 0 0 "[ . 1 .]" 1
402 1 50 GLU HA 1 50 GLU HB3 2.696 . 3.568 2.553 2.436 2.997 . 0 0 "[ . 1 .]" 1
403 1 50 GLU H 1 50 GLU HG2 2.932 . 3.963 2.753 2.376 4.309 0.346 5 0 "[ . 1 .]" 1
404 1 50 GLU HA 1 51 GLY H 3.097 . 4.248 3.552 3.490 3.595 . 0 0 "[ . 1 .]" 1
405 1 52 THR HA 1 52 THR MG 2.273 . 2.893 2.184 2.148 2.286 . 0 0 "[ . 1 .]" 1
406 1 52 THR HB 1 52 THR MG 2.259 . 2.871 2.133 2.127 2.137 . 0 0 "[ . 1 .]" 1
407 1 52 THR H 1 52 THR MG 2.683 . 3.547 3.494 2.795 3.717 0.170 7 0 "[ . 1 .]" 1
408 1 52 THR H 1 52 THR HB 2.729 . 3.622 3.011 2.626 3.509 . 0 0 "[ . 1 .]" 1
409 1 52 THR H 1 52 THR HA 2.632 . 3.463 2.834 2.785 2.884 . 0 0 "[ . 1 .]" 1
410 1 54 LYS HA 1 55 ALA H 2.875 . 3.867 3.479 3.416 3.516 . 0 0 "[ . 1 .]" 1
411 1 54 LYS HB3 1 55 ALA H 3.300 . 4.607 3.587 2.751 3.945 . 0 0 "[ . 1 .]" 1
412 1 54 LYS H 1 54 LYS HB3 2.672 . 3.529 3.511 2.792 3.595 0.066 5 0 "[ . 1 .]" 1
413 1 53 GLN H 1 53 GLN HG3 2.983 . 4.051 2.700 1.982 3.697 . 0 0 "[ . 1 .]" 1
414 1 53 GLN H 1 53 GLN HB3 2.604 . 3.418 3.449 2.625 3.609 0.191 12 0 "[ . 1 .]" 1
415 1 53 GLN HG3 1 54 LYS H 3.217 . 4.459 4.007 2.388 4.861 0.402 15 0 "[ . 1 .]" 1
416 1 53 GLN HB3 1 54 LYS H 3.140 . 4.323 3.560 3.131 4.074 . 0 0 "[ . 1 .]" 1
417 1 41 PRO HG2 1 42 GLU H 2.916 . 3.937 2.619 2.524 2.701 . 0 0 "[ . 1 .]" 1
418 1 41 PRO HB3 1 42 GLU H 2.950 . 3.994 4.045 3.944 4.109 0.115 2 0 "[ . 1 .]" 1
419 1 41 PRO HB2 1 42 GLU H 2.824 . 3.781 3.028 2.774 3.224 . 0 0 "[ . 1 .]" 1
420 1 42 GLU H 1 42 GLU HG3 3.150 . 4.341 3.550 3.293 3.934 . 0 0 "[ . 1 .]" 1
421 1 42 GLU H 1 42 GLU HB2 3.033 . 4.137 2.524 2.237 2.833 . 0 0 "[ . 1 .]" 1
422 1 33 VAL HA 1 34 SER H 4.366 2.079 6.653 3.471 3.429 3.525 . 0 0 "[ . 1 .]" 1
423 1 33 VAL HA 1 33 VAL MG2 2.322 . 2.969 2.852 2.410 3.139 0.170 15 0 "[ . 1 .]" 1
424 1 33 VAL MG1 1 33 VAL MG2 1.965 . 2.429 2.053 2.038 2.069 . 0 0 "[ . 1 .]" 1
425 1 33 VAL HB 1 33 VAL MG2 2.153 . 2.709 2.102 2.080 2.123 . 0 0 "[ . 1 .]" 1
426 1 33 VAL HB 1 33 VAL MG1 2.208 . 2.793 2.126 2.117 2.134 . 0 0 "[ . 1 .]" 1
427 1 33 VAL HA 1 33 VAL MG1 2.494 . 3.240 2.211 2.074 2.428 . 0 0 "[ . 1 .]" 1
428 1 33 VAL HA 1 33 VAL HB 2.529 . 3.296 2.833 2.648 3.046 . 0 0 "[ . 1 .]" 1
429 1 33 VAL H 1 33 VAL HB 2.549 . 3.329 3.188 2.614 3.570 0.241 15 0 "[ . 1 .]" 1
430 1 33 VAL H 1 33 VAL MG2 2.767 . 3.686 1.879 1.784 2.084 0.064 1 0 "[ . 1 .]" 1
431 1 33 VAL MG2 1 34 SER H 2.862 . 3.845 3.046 2.415 3.840 . 0 0 "[ . 1 .]" 1
432 1 33 VAL HB 1 59 PHE QE 3.160 . 4.358 4.215 3.931 4.395 0.037 6 0 "[ . 1 .]" 1
433 1 43 TYR QE 1 47 VAL MG2 2.812 . 3.761 2.942 2.564 3.349 . 0 0 "[ . 1 .]" 1
434 1 19 VAL MG2 1 59 PHE QD 2.434 . 3.145 2.796 2.125 3.195 0.050 3 0 "[ . 1 .]" 1
435 1 43 TYR QD 1 47 VAL MG2 3.078 . 4.215 3.294 2.975 3.627 . 0 0 "[ . 1 .]" 1
436 1 23 VAL MG2 1 24 LYS H 3.219 . 4.463 4.183 4.024 4.260 . 0 0 "[ . 1 .]" 1
437 1 23 VAL HA 1 24 LYS H 2.839 . 3.806 2.153 2.105 2.209 . 0 0 "[ . 1 .]" 1
438 1 67 LYS H 1 67 LYS HA 2.426 . 3.133 2.802 2.729 2.883 . 0 0 "[ . 1 .]" 1
439 1 67 LYS H 1 67 LYS QB 2.415 . 3.115 2.553 2.265 2.800 . 0 0 "[ . 1 .]" 1
440 1 67 LYS H 1 67 LYS HG3 2.846 . 3.818 1.984 1.709 2.295 0.165 12 0 "[ . 1 .]" 1
441 1 67 LYS H 1 67 LYS HG2 2.914 . 3.933 2.765 2.354 3.218 . 0 0 "[ . 1 .]" 1
442 1 67 LYS HA 1 67 LYS QB 2.501 . 3.251 2.311 2.241 2.407 . 0 0 "[ . 1 .]" 1
443 1 67 LYS HA 1 67 LYS HG3 2.786 . 3.717 3.357 3.104 3.550 . 0 0 "[ . 1 .]" 1
444 1 67 LYS HA 1 67 LYS HG2 2.718 . 3.605 2.548 2.257 2.825 . 0 0 "[ . 1 .]" 1
445 1 67 LYS QB 1 67 LYS HG3 2.437 . 3.150 2.244 2.216 2.294 . 0 0 "[ . 1 .]" 1
446 1 67 LYS QB 1 67 LYS HG2 2.347 . 3.008 2.361 2.320 2.386 . 0 0 "[ . 1 .]" 1
447 1 67 LYS QD 1 67 LYS HG3 2.249 . 2.856 2.330 2.211 2.446 . 0 0 "[ . 1 .]" 1
448 1 19 VAL HA 1 19 VAL HB 2.832 . 3.794 2.908 2.571 3.028 . 0 0 "[ . 1 .]" 1
449 1 19 VAL HA 1 19 VAL MG1 2.831 . 3.793 2.672 2.444 3.214 . 0 0 "[ . 1 .]" 1
450 1 19 VAL HA 1 19 VAL MG2 2.494 . 3.240 2.287 2.231 2.350 . 0 0 "[ . 1 .]" 1
451 1 19 VAL HB 1 19 VAL MG1 2.201 . 2.782 2.127 2.101 2.137 . 0 0 "[ . 1 .]" 1
452 1 19 VAL HB 1 19 VAL MG2 2.313 . 2.955 2.125 2.121 2.129 . 0 0 "[ . 1 .]" 1
453 1 8 ILE HA 1 8 ILE MG 2.210 . 2.796 2.378 2.312 2.444 . 0 0 "[ . 1 .]" 1
454 1 8 ILE H 1 8 ILE HB 2.485 . 3.226 2.601 2.520 2.664 . 0 0 "[ . 1 .]" 1
455 1 8 ILE H 1 8 ILE HG13 2.682 . 3.545 2.072 1.812 3.588 0.043 4 0 "[ . 1 .]" 1
456 1 8 ILE H 1 8 ILE MG 2.861 . 3.843 3.760 3.733 3.775 . 0 0 "[ . 1 .]" 1
457 1 8 ILE H 1 8 ILE MD 2.884 . 3.882 3.351 2.057 3.582 . 0 0 "[ . 1 .]" 1
458 1 8 ILE HB 1 8 ILE HG13 2.140 . 2.690 2.499 2.427 2.874 0.184 1 0 "[ . 1 .]" 1
459 1 8 ILE HB 1 8 ILE MG 1.974 . 2.442 2.124 2.120 2.129 . 0 0 "[ . 1 .]" 1
460 1 8 ILE HB 1 8 ILE MD 2.269 . 2.887 2.444 2.207 3.184 0.297 4 0 "[ . 1 .]" 1
461 1 8 ILE HG13 1 8 ILE MG 2.284 . 2.910 3.105 2.258 3.200 0.290 15 0 "[ . 1 .]" 1
462 1 8 ILE MD 1 8 ILE HG13 2.154 . 2.711 2.118 2.096 2.123 . 0 0 "[ . 1 .]" 1
463 1 8 ILE HB 1 9 ALA H 2.585 . 3.387 2.982 2.710 3.218 . 0 0 "[ . 1 .]" 1
464 1 30 TRP HA 1 31 LEU H 3.330 . 4.661 3.554 3.529 3.583 . 0 0 "[ . 1 .]" 1
465 1 30 TRP HB3 1 31 LEU H 3.073 . 4.206 2.630 2.573 2.687 . 0 0 "[ . 1 .]" 1
466 1 30 TRP HB2 1 31 LEU H 3.258 . 4.531 3.961 3.926 4.003 . 0 0 "[ . 1 .]" 1
467 1 31 LEU H 1 31 LEU HA 2.649 . 3.491 2.781 2.755 2.795 . 0 0 "[ . 1 .]" 1
468 1 31 LEU H 1 31 LEU HB3 2.661 . 3.511 3.507 3.494 3.527 0.016 4 0 "[ . 1 .]" 1
469 1 31 LEU H 1 31 LEU HB2 2.616 . 3.437 2.342 2.317 2.358 . 0 0 "[ . 1 .]" 1
470 1 31 LEU H 1 31 LEU MD1 2.789 . 3.722 3.232 3.147 3.523 . 0 0 "[ . 1 .]" 1
471 1 31 LEU H 1 31 LEU MD2 2.869 . 3.856 1.890 1.755 3.508 0.127 11 0 "[ . 1 .]" 1
472 1 31 LEU HA 1 31 LEU HB3 2.685 . 3.550 2.500 2.482 2.521 . 0 0 "[ . 1 .]" 1
473 1 31 LEU HA 1 31 LEU HB2 2.517 . 3.278 2.997 2.984 3.004 . 0 0 "[ . 1 .]" 1
474 1 31 LEU HA 1 31 LEU MD1 2.387 . 3.071 2.010 1.857 3.765 0.694 4 1 "[ +. 1 .]" 1
475 1 31 LEU HB3 1 31 LEU MD2 3.671 2.054 5.288 3.152 2.342 3.216 . 0 0 "[ . 1 .]" 1
476 1 31 LEU H 1 31 LEU HG 2.661 . 3.511 3.597 2.374 3.714 0.203 7 0 "[ . 1 .]" 1
477 1 31 LEU HA 1 32 SER H 2.876 . 3.868 3.539 3.504 3.566 . 0 0 "[ . 1 .]" 1
478 1 31 LEU HB3 1 32 SER H 3.288 . 4.585 3.242 3.083 3.386 . 0 0 "[ . 1 .]" 1
479 1 31 LEU HA 1 31 LEU HG 2.620 . 3.444 3.574 2.804 3.641 0.197 7 0 "[ . 1 .]" 1
480 1 31 LEU MD1 1 31 LEU HG 2.164 . 2.726 2.106 2.101 2.112 . 0 0 "[ . 1 .]" 1
481 1 31 LEU MD2 1 31 LEU HG 2.013 . 2.500 2.106 2.100 2.127 . 0 0 "[ . 1 .]" 1
482 1 31 LEU HB2 1 31 LEU MD1 2.250 . 2.858 3.139 2.285 3.205 0.347 12 0 "[ . 1 .]" 1
483 1 34 SER H 1 35 ARG H 2.899 . 3.907 2.547 2.459 2.670 . 0 0 "[ . 1 .]" 1
484 1 35 ARG H 1 35 ARG HA 2.517 . 3.277 2.744 2.708 2.785 . 0 0 "[ . 1 .]" 1
485 1 35 ARG HA 1 36 LYS H 2.841 . 3.810 3.462 3.437 3.502 . 0 0 "[ . 1 .]" 1
486 1 36 LYS H 1 36 LYS HA 2.512 . 3.269 2.751 2.720 2.772 . 0 0 "[ . 1 .]" 1
487 1 36 LYS HA 1 37 MET H 2.960 . 4.012 3.474 3.449 3.507 . 0 0 "[ . 1 .]" 1
488 1 37 MET H 1 37 MET HA 2.808 . 3.754 2.781 2.728 2.826 . 0 0 "[ . 1 .]" 1
489 1 37 MET HA 1 38 GLN H 3.347 2.002 4.692 3.516 3.446 3.557 . 0 0 "[ . 1 .]" 1
490 1 34 SER HA 1 34 SER HB3 2.620 . 3.444 2.709 2.320 3.039 . 0 0 "[ . 1 .]" 1
491 1 34 SER H 1 34 SER HB3 3.013 . 4.102 2.919 2.069 3.609 . 0 0 "[ . 1 .]" 1
492 1 34 SER H 1 34 SER HB2 3.034 . 4.139 2.730 2.413 3.548 . 0 0 "[ . 1 .]" 1
493 1 35 ARG HA 1 35 ARG QB 2.202 . 2.784 2.325 2.182 2.516 . 0 0 "[ . 1 .]" 1
494 1 35 ARG HA 1 35 ARG QG 2.658 . 3.470 2.784 2.285 2.997 . 0 0 "[ . 1 .]" 1
495 1 35 ARG QB 1 35 ARG HD3 2.296 . 2.929 2.732 1.955 3.286 0.357 13 0 "[ . 1 .]" 1
496 1 35 ARG HD3 1 35 ARG QG 2.282 . 2.899 2.283 2.134 2.462 . 0 0 "[ . 1 .]" 1
497 1 35 ARG HA 1 35 ARG HD3 2.702 . 3.578 2.627 1.971 3.971 0.393 12 0 "[ . 1 .]" 1
498 1 35 ARG H 1 35 ARG HD3 3.038 . 4.146 3.495 2.910 4.466 0.320 10 0 "[ . 1 .]" 1
499 1 35 ARG H 1 35 ARG QB 2.286 . 2.913 2.393 1.917 2.786 . 0 0 "[ . 1 .]" 1
500 1 35 ARG H 1 35 ARG QG 3.107 . 4.265 2.098 1.533 3.897 0.416 13 0 "[ . 1 .]" 1
501 1 35 ARG QB 1 36 LYS H 2.641 . 3.478 1.939 1.801 2.179 0.003 1 0 "[ . 1 .]" 1
502 1 35 ARG QG 1 36 LYS H 3.039 . 3.919 3.493 3.134 3.784 . 0 0 "[ . 1 .]" 1
503 1 32 SER H 1 32 SER HA 2.088 . 2.611 2.775 2.743 2.817 0.206 5 0 "[ . 1 .]" 1
504 1 32 SER HA 1 33 VAL H 2.928 . 3.957 3.573 3.505 3.615 . 0 0 "[ . 1 .]" 1
505 1 32 SER HB2 1 33 VAL H 2.689 . 3.557 2.815 2.349 3.732 0.175 14 0 "[ . 1 .]" 1
506 1 32 SER H 1 32 SER HB2 2.453 . 3.175 2.684 2.208 3.571 0.396 14 0 "[ . 1 .]" 1
507 1 32 SER HA 1 32 SER HB2 2.159 . 2.718 2.942 2.432 3.007 0.289 2 0 "[ . 1 .]" 1
508 1 36 LYS HA 1 36 LYS HG3 2.457 . 3.181 3.300 3.051 3.631 0.450 3 0 "[ . 1 .]" 1
509 1 36 LYS H 1 36 LYS HB3 2.502 . 3.253 3.498 3.476 3.527 0.274 1 0 "[ . 1 .]" 1
510 1 36 LYS H 1 36 LYS HG3 2.813 . 3.762 2.187 1.770 3.575 0.094 6 0 "[ . 1 .]" 1
511 1 37 MET H 1 37 MET HB3 2.990 . 4.063 3.505 3.432 3.568 . 0 0 "[ . 1 .]" 1
512 1 37 MET H 1 37 MET HB2 3.089 . 4.234 2.214 2.107 2.411 . 0 0 "[ . 1 .]" 1
513 1 37 MET H 1 37 MET HG3 2.941 . 3.979 2.722 2.269 3.099 . 0 0 "[ . 1 .]" 1
514 1 37 MET HB2 1 38 GLN H 3.406 2.014 4.798 3.226 2.948 3.578 . 0 0 "[ . 1 .]" 1
515 1 7 GLN H 1 7 GLN HB3 2.828 . 3.787 3.032 2.592 4.102 0.315 7 0 "[ . 1 .]" 1
516 1 7 GLN HB3 1 8 ILE H 2.856 . 3.835 2.772 2.430 3.097 . 0 0 "[ . 1 .]" 1
517 1 13 ASP H 1 13 ASP HA 2.655 . 3.501 2.778 2.757 2.815 . 0 0 "[ . 1 .]" 1
518 1 12 LYS HA 1 12 LYS HB3 2.759 . 3.672 3.025 3.018 3.029 . 0 0 "[ . 1 .]" 1
519 1 12 LYS HA 1 12 LYS HG3 3.091 . 4.238 2.521 2.439 2.574 . 0 0 "[ . 1 .]" 1
520 1 12 LYS H 1 12 LYS HB3 3.064 . 4.190 2.477 2.417 2.580 . 0 0 "[ . 1 .]" 1
521 1 12 LYS H 1 12 LYS HB2 3.197 . 4.423 2.613 2.505 2.729 . 0 0 "[ . 1 .]" 1
522 1 12 LYS HB3 1 13 ASP H 2.746 . 3.651 2.439 2.264 2.645 . 0 0 "[ . 1 .]" 1
523 1 12 LYS HB2 1 13 ASP H 2.947 . 3.989 3.785 3.647 3.921 . 0 0 "[ . 1 .]" 1
524 1 13 ASP HA 1 13 ASP HB3 2.857 . 3.837 3.036 3.025 3.052 . 0 0 "[ . 1 .]" 1
525 1 13 ASP HA 1 13 ASP HB2 2.533 . 3.303 2.487 2.422 2.606 . 0 0 "[ . 1 .]" 1
526 1 13 ASP H 1 13 ASP HB3 2.735 . 3.633 2.557 2.439 2.733 . 0 0 "[ . 1 .]" 1
527 1 13 ASP H 1 13 ASP HB2 2.939 . 3.976 2.449 2.276 2.560 . 0 0 "[ . 1 .]" 1
528 1 13 ASP HB3 1 14 LYS H 3.011 . 4.099 2.423 2.169 2.597 . 0 0 "[ . 1 .]" 1
529 1 13 ASP HB2 1 14 LYS H 3.078 . 4.215 3.788 3.647 3.941 . 0 0 "[ . 1 .]" 1
530 1 13 ASP HA 1 14 LYS H 2.860 . 3.841 3.577 3.548 3.610 . 0 0 "[ . 1 .]" 1
531 1 14 LYS H 1 14 LYS HA 2.884 . 3.882 2.811 2.778 2.841 . 0 0 "[ . 1 .]" 1
532 1 54 LYS HA 1 54 LYS HB3 2.036 . 2.533 2.478 2.341 2.913 0.380 1 0 "[ . 1 .]" 1
533 1 54 LYS HA 1 54 LYS HB2 2.644 . 3.483 2.917 2.601 2.958 . 0 0 "[ . 1 .]" 1
534 1 13 ASP HA 1 16 GLU H 3.134 . 4.313 3.526 3.370 3.775 . 0 0 "[ . 1 .]" 1
535 1 28 GLU HA 1 29 ASN H 2.241 . 2.844 2.532 2.438 2.645 . 0 0 "[ . 1 .]" 1
536 1 28 GLU HA 1 28 GLU HG3 3.205 . 4.438 3.364 2.449 3.881 . 0 0 "[ . 1 .]" 1
537 1 28 GLU HA 1 28 GLU HB3 2.789 . 3.722 2.509 2.320 2.602 . 0 0 "[ . 1 .]" 1
538 1 28 GLU HA 1 28 GLU HB2 2.863 . 3.847 3.014 2.985 3.024 . 0 0 "[ . 1 .]" 1
539 1 28 GLU HA 1 28 GLU HG2 2.797 . 3.736 3.275 2.792 3.746 0.010 2 0 "[ . 1 .]" 1
540 1 28 GLU HG3 1 29 ASN H 3.488 2.028 4.948 4.207 3.465 4.584 . 0 0 "[ . 1 .]" 1
541 1 28 GLU HG2 1 29 ASN H 3.203 . 4.434 4.562 4.225 4.725 0.291 1 0 "[ . 1 .]" 1
542 1 28 GLU HB3 1 29 ASN H 2.885 . 3.883 2.114 1.970 2.240 . 0 0 "[ . 1 .]" 1
543 1 28 GLU HB3 1 28 GLU HG3 2.713 . 3.596 2.437 2.360 2.525 . 0 0 "[ . 1 .]" 1
544 1 28 GLU HB2 1 28 GLU HG3 2.698 . 3.572 2.586 2.315 3.006 . 0 0 "[ . 1 .]" 1
545 1 28 GLU HB3 1 28 GLU HG2 2.654 . 3.499 2.806 2.321 3.007 . 0 0 "[ . 1 .]" 1
546 1 28 GLU HB2 1 28 GLU HG2 2.434 . 3.145 2.441 2.361 2.524 . 0 0 "[ . 1 .]" 1
547 1 28 GLU H 1 28 GLU HG2 2.897 . 3.904 3.005 2.092 3.955 0.051 11 0 "[ . 1 .]" 1
548 1 28 GLU H 1 28 GLU HB3 2.822 . 3.778 3.572 3.478 3.650 . 0 0 "[ . 1 .]" 1
549 1 28 GLU H 1 28 GLU HB2 2.667 . 3.521 2.383 2.191 2.755 . 0 0 "[ . 1 .]" 1
550 1 28 GLU H 1 28 GLU HG3 2.875 . 3.867 3.833 3.569 4.007 0.140 9 0 "[ . 1 .]" 1
551 1 27 ASN HB3 1 28 GLU H 3.151 . 4.342 4.256 4.180 4.351 0.009 9 0 "[ . 1 .]" 1
552 1 23 VAL HA 1 26 HIS H 2.924 . 3.950 4.142 4.035 4.330 0.380 14 0 "[ . 1 .]" 1
553 1 24 LYS HA 1 25 ASN H 3.006 . 4.090 3.453 2.147 3.572 . 0 0 "[ . 1 .]" 1
554 1 24 LYS H 1 24 LYS HB3 3.430 2.018 4.842 3.025 2.580 3.732 . 0 0 "[ . 1 .]" 1
555 1 24 LYS H 1 24 LYS HB2 3.185 . 4.402 2.642 2.183 3.064 . 0 0 "[ . 1 .]" 1
556 1 24 LYS HB2 1 25 ASN H 3.281 . 4.573 3.131 2.013 4.325 . 0 0 "[ . 1 .]" 1
557 1 24 LYS HB3 1 25 ASN H 3.504 2.031 4.977 2.682 2.079 3.958 . 0 0 "[ . 1 .]" 1
558 1 15 TYR HB3 1 16 GLU H 3.443 2.020 4.866 2.551 2.385 2.713 . 0 0 "[ . 1 .]" 1
559 1 15 TYR HB2 1 16 GLU H 3.205 . 4.437 3.882 3.773 3.997 . 0 0 "[ . 1 .]" 1
560 1 16 GLU H 1 16 GLU HA 2.811 . 3.760 2.751 2.716 2.780 . 0 0 "[ . 1 .]" 1
561 1 16 GLU HA 1 16 GLU QG 3.008 . 3.117 2.184 2.012 2.340 . 0 0 "[ . 1 .]" 1
562 1 16 GLU HA 1 16 GLU HB2 2.781 . 3.709 2.968 2.916 3.028 . 0 0 "[ . 1 .]" 1
563 1 16 GLU H 1 16 GLU QG 2.728 . 2.961 2.532 2.196 2.831 . 0 0 "[ . 1 .]" 1
564 1 16 GLU HB2 1 16 GLU QG . . 2.821 2.232 2.113 2.318 . 0 0 "[ . 1 .]" 1
565 1 16 GLU H 1 16 GLU HB2 2.657 . 3.504 2.152 1.950 2.452 . 0 0 "[ . 1 .]" 1
566 1 16 GLU HB3 1 17 TRP H 2.878 . 3.872 3.501 3.172 3.827 . 0 0 "[ . 1 .]" 1
567 1 16 GLU HA 1 17 TRP H 2.820 . 3.775 3.573 3.531 3.607 . 0 0 "[ . 1 .]" 1
568 1 18 LEU H 1 18 LEU HB3 2.791 . 3.726 3.546 3.490 3.588 . 0 0 "[ . 1 .]" 1
569 1 18 LEU H 1 18 LEU HB2 2.896 . 3.902 2.278 2.199 2.358 . 0 0 "[ . 1 .]" 1
570 1 18 LEU H 1 18 LEU MD1 3.445 2.021 4.869 4.018 3.809 4.233 . 0 0 "[ . 1 .]" 1
571 1 18 LEU H 1 18 LEU HG 3.514 2.032 4.996 3.878 3.685 3.958 . 0 0 "[ . 1 .]" 1
572 1 18 LEU H 1 18 LEU HA 2.767 . 3.685 2.742 2.725 2.759 . 0 0 "[ . 1 .]" 1
573 1 18 LEU HA 1 18 LEU HG 3.296 . 4.599 3.751 3.658 3.807 . 0 0 "[ . 1 .]" 1
574 1 18 LEU HA 1 18 LEU MD1 2.711 . 3.593 2.272 2.100 2.634 . 0 0 "[ . 1 .]" 1
575 1 18 LEU HB3 1 18 LEU MD1 2.512 . 3.269 2.248 2.170 2.301 . 0 0 "[ . 1 .]" 1
576 1 18 LEU MD1 1 19 VAL H 3.372 2.008 4.736 4.576 4.498 4.669 . 0 0 "[ . 1 .]" 1
577 1 18 LEU HG 1 19 VAL H 3.372 2.008 4.736 4.864 4.793 4.913 0.177 14 0 "[ . 1 .]" 1
578 1 18 LEU HB2 1 19 VAL H 3.091 . 4.237 2.582 2.483 2.668 . 0 0 "[ . 1 .]" 1
579 1 18 LEU HB3 1 19 VAL H 2.912 . 3.929 3.026 2.903 3.180 . 0 0 "[ . 1 .]" 1
580 1 18 LEU HA 1 19 VAL H 2.974 . 4.035 3.543 3.527 3.572 . 0 0 "[ . 1 .]" 1
581 1 15 TYR HA 1 18 LEU HB3 3.042 . 4.153 3.611 3.487 3.716 . 0 0 "[ . 1 .]" 1
582 1 18 LEU HA 1 21 ARG QB 2.966 . 4.022 2.483 1.824 2.787 0.097 13 0 "[ . 1 .]" 1
583 1 16 GLU HA 1 19 VAL HB 2.641 . 3.478 3.180 2.871 3.599 0.121 11 0 "[ . 1 .]" 1
584 1 67 LYS QB 1 67 LYS QE 2.300 . 2.935 2.099 1.881 2.388 . 0 0 "[ . 1 .]" 1
585 1 37 MET HA 1 37 MET HB3 2.849 . 3.823 2.655 2.558 2.745 . 0 0 "[ . 1 .]" 1
586 1 37 MET H 1 37 MET HG2 2.792 . 3.727 3.770 3.449 4.007 0.280 11 0 "[ . 1 .]" 1
587 1 37 MET HB3 1 38 GLN H 3.106 . 4.264 3.675 3.526 3.833 . 0 0 "[ . 1 .]" 1
588 1 68 HIS HA 1 68 HIS HD1 2.558 . 3.343 3.662 3.635 3.676 0.333 5 0 "[ . 1 .]" 1
589 1 68 HIS HB3 1 68 HIS HD1 2.523 . 3.287 3.473 3.405 3.562 0.275 12 0 "[ . 1 .]" 1
590 1 68 HIS HB2 1 68 HIS HD1 2.551 . 3.332 3.507 3.401 3.571 0.239 9 0 "[ . 1 .]" 1
591 1 64 HIS HA 1 68 HIS HD1 2.602 . 3.414 3.276 3.146 3.467 0.053 8 0 "[ . 1 .]" 1
592 1 64 HIS H 1 64 HIS HD1 3.020 . 4.114 4.322 4.232 4.403 0.289 7 0 "[ . 1 .]" 1
593 1 64 HIS HA 1 64 HIS HD1 2.472 . 3.206 3.538 3.471 3.615 0.409 10 0 "[ . 1 .]" 1
594 1 64 HIS HB3 1 64 HIS HD1 2.436 . 3.148 2.784 2.729 2.904 . 0 0 "[ . 1 .]" 1
595 1 62 HIS HA 1 62 HIS HD1 3.101 . 4.255 4.325 4.240 4.390 0.135 13 0 "[ . 1 .]" 1
596 1 62 HIS HB3 1 62 HIS HD1 2.742 . 3.644 2.468 2.418 2.597 . 0 0 "[ . 1 .]" 1
597 1 62 HIS HB2 1 62 HIS HD1 2.816 . 3.768 3.576 3.495 3.731 . 0 0 "[ . 1 .]" 1
598 1 62 HIS HB3 1 62 HIS HE1 3.376 2.008 4.744 4.679 4.638 4.784 0.040 12 0 "[ . 1 .]" 1
599 1 12 LYS HA 1 15 TYR QD 3.184 . 4.401 3.843 3.578 3.996 . 0 0 "[ . 1 .]" 1
600 1 15 TYR QD 1 16 GLU HA 3.288 . 4.585 3.200 2.829 3.484 . 0 0 "[ . 1 .]" 1
601 1 15 TYR QD 1 16 GLU QG 3.029 2.018 4.130 3.005 2.729 3.261 . 0 0 "[ . 1 .]" 1
602 1 15 TYR QD 1 18 LEU HB3 3.162 . 4.362 4.118 3.787 4.437 0.075 13 0 "[ . 1 .]" 1
603 1 15 TYR QD 1 58 LEU HB3 3.263 . 4.540 3.725 3.546 3.828 . 0 0 "[ . 1 .]" 1
604 1 15 TYR QD 1 58 LEU HB2 3.022 . 4.118 4.314 4.232 4.392 0.274 15 0 "[ . 1 .]" 1
605 1 15 TYR QD 1 58 LEU MD2 2.937 . 3.972 1.910 1.821 1.998 0.081 3 0 "[ . 1 .]" 1
606 1 15 TYR QE 1 58 LEU MD2 3.013 . 4.103 2.587 2.451 2.748 . 0 0 "[ . 1 .]" 1
607 1 15 TYR QE 1 58 LEU HB2 2.611 . 3.429 3.457 3.395 3.496 0.067 9 0 "[ . 1 .]" 1
608 1 15 TYR QE 1 58 LEU HB3 2.544 . 3.321 2.040 1.936 2.172 . 0 0 "[ . 1 .]" 1
609 1 15 TYR QD 1 18 LEU HB2 3.689 2.056 5.322 3.482 3.209 3.715 . 0 0 "[ . 1 .]" 1
610 1 33 VAL MG2 1 59 PHE QE 2.776 . 3.701 2.641 2.275 3.448 . 0 0 "[ . 1 .]" 1
611 1 23 VAL MG1 1 62 HIS HD1 2.436 . 3.148 3.023 2.610 3.307 0.159 7 0 "[ . 1 .]" 1
612 1 23 VAL HB 1 62 HIS HD1 2.518 . 3.279 2.892 2.638 3.155 . 0 0 "[ . 1 .]" 1
613 1 46 TYR QE 1 55 ALA HA 2.956 . 4.005 2.119 1.871 2.460 0.036 13 0 "[ . 1 .]" 1
614 1 46 TYR QD 1 55 ALA MB 2.814 . 3.764 2.285 1.927 2.896 . 0 0 "[ . 1 .]" 1
615 1 12 LYS HA 1 46 TYR QE 2.933 . 3.965 3.101 2.724 3.351 . 0 0 "[ . 1 .]" 1
616 1 12 LYS HA 1 46 TYR QD 2.965 . 4.020 2.663 2.376 3.260 . 0 0 "[ . 1 .]" 1
617 1 46 TYR QE 1 55 ALA MB 2.671 . 3.527 2.415 2.172 2.795 . 0 0 "[ . 1 .]" 1
618 1 46 TYR QD 1 55 ALA HA 3.086 . 4.229 3.579 3.240 4.254 0.025 5 0 "[ . 1 .]" 1
619 1 11 ALA MB 1 46 TYR QD 2.694 . 3.565 2.908 2.187 3.450 . 0 0 "[ . 1 .]" 1
620 1 12 LYS HB2 1 46 TYR QE 3.024 . 4.122 2.029 1.903 2.173 0.023 10 0 "[ . 1 .]" 1
621 1 12 LYS HB3 1 46 TYR QE 2.730 . 3.624 3.732 3.624 3.885 0.261 4 0 "[ . 1 .]" 1
622 1 43 TYR QD 1 44 GLN HA 2.699 . 3.573 3.027 2.827 3.368 . 0 0 "[ . 1 .]" 1
623 1 43 TYR QE 1 44 GLN HA 3.003 . 4.085 3.837 3.583 4.099 0.014 7 0 "[ . 1 .]" 1
624 1 43 TYR QD 1 44 GLN HG3 3.050 . 4.167 4.256 3.871 4.425 0.258 10 0 "[ . 1 .]" 1
625 1 23 VAL MG1 1 59 PHE QE 2.452 . 3.174 2.292 2.010 2.616 . 0 0 "[ . 1 .]" 1
626 1 23 VAL MG2 1 59 PHE QE 2.474 . 3.209 1.746 1.689 1.829 0.050 1 0 "[ . 1 .]" 1
627 1 23 VAL MG2 1 59 PHE QD 2.694 . 3.565 2.115 1.846 2.449 . 0 0 "[ . 1 .]" 1
628 1 59 PHE QD 1 60 LEU MD2 2.153 . 2.709 1.849 1.707 2.008 . 0 0 "[ . 1 .]" 1
629 1 48 TYR QD 1 49 LEU MD2 2.512 . 3.269 2.172 1.969 2.694 . 0 0 "[ . 1 .]" 1
630 1 48 TYR QD 1 49 LEU HB2 3.126 . 4.299 4.385 4.323 4.437 0.138 11 0 "[ . 1 .]" 1
631 1 67 LYS QB 1 68 HIS HD1 2.780 . 3.708 2.186 1.920 2.568 . 0 0 "[ . 1 .]" 1
632 1 67 LYS HG3 1 68 HIS HD1 3.410 2.015 4.805 4.071 3.678 4.502 . 0 0 "[ . 1 .]" 1
633 1 67 LYS HG2 1 68 HIS HD1 3.230 . 4.482 4.978 4.849 5.427 0.945 12 6 "[ * * ** 1 + -]" 1
634 1 67 LYS HA 1 68 HIS H 2.848 . 3.821 3.528 3.511 3.542 . 0 0 "[ . 1 .]" 1
635 1 26 HIS HD1 1 67 LYS HA 2.651 . 3.494 2.491 2.175 2.723 . 0 0 "[ . 1 .]" 1
636 1 46 TYR H 1 46 TYR HB2 2.932 . 3.964 2.642 2.513 2.710 . 0 0 "[ . 1 .]" 1
637 1 12 LYS HA 1 15 TYR HB3 3.190 . 4.411 2.365 2.217 2.538 . 0 0 "[ . 1 .]" 1
638 1 12 LYS HA 1 15 TYR HB2 3.426 2.018 4.834 3.380 3.174 3.573 . 0 0 "[ . 1 .]" 1
639 1 15 TYR QE 1 43 TYR HA 2.945 . 3.986 2.624 1.985 3.342 . 0 0 "[ . 1 .]" 1
640 1 15 TYR QD 1 43 TYR HA 2.558 . 3.343 1.836 1.675 2.082 0.098 4 0 "[ . 1 .]" 1
641 1 15 TYR QE 1 43 TYR QD 2.283 . 2.909 1.898 1.614 2.650 0.043 1 0 "[ . 1 .]" 1
642 1 15 TYR QE 1 46 TYR QD 3.158 . 4.355 3.671 3.365 3.959 . 0 0 "[ . 1 .]" 1
643 1 15 TYR QD 1 46 TYR QD 3.503 2.031 4.975 3.539 3.329 3.811 . 0 0 "[ . 1 .]" 1
644 1 15 TYR QE 1 46 TYR QE 3.192 . 4.415 3.886 3.412 4.283 . 0 0 "[ . 1 .]" 1
645 1 41 PRO HA 1 42 GLU HA 3.200 . 4.429 4.715 4.641 4.814 0.385 1 0 "[ . 1 .]" 1
646 1 18 LEU HG 1 43 TYR HA 3.335 . 4.670 3.761 3.333 4.110 . 0 0 "[ . 1 .]" 1
647 1 15 TYR QD 1 18 LEU HG 2.766 . 3.684 3.601 3.321 3.766 0.082 14 0 "[ . 1 .]" 1
648 1 20 SER HB3 1 62 HIS HE1 2.303 . 2.939 2.855 2.278 3.460 0.521 11 1 "[ . 1+ .]" 1
649 1 20 SER HB2 1 62 HIS HE1 2.601 . 3.413 2.945 2.558 3.457 0.044 14 0 "[ . 1 .]" 1
650 1 20 SER HA 1 62 HIS HE1 2.660 . 3.509 1.946 1.753 2.499 0.058 14 0 "[ . 1 .]" 1
651 1 18 LEU MD1 1 42 GLU H 3.373 2.008 4.738 3.632 3.235 4.104 . 0 0 "[ . 1 .]" 1
652 1 18 LEU MD2 1 42 GLU H 3.411 2.015 4.807 4.026 3.719 4.425 . 0 0 "[ . 1 .]" 1
653 1 25 ASN H 1 25 ASN HB3 2.919 . 3.942 2.910 2.553 3.933 . 0 0 "[ . 1 .]" 1
654 1 25 ASN H 1 25 ASN HB2 2.767 . 3.686 3.388 2.483 3.708 0.022 12 0 "[ . 1 .]" 1
655 1 25 ASN HB3 1 25 ASN HD21 2.891 . 3.894 2.497 2.219 3.413 . 0 0 "[ . 1 .]" 1
656 1 25 ASN HB2 1 25 ASN HD21 2.977 . 4.040 2.875 2.197 3.518 . 0 0 "[ . 1 .]" 1
657 1 25 ASN HB3 1 25 ASN HD22 3.020 . 4.114 3.595 3.467 4.007 . 0 0 "[ . 1 .]" 1
658 1 25 ASN HB2 1 25 ASN HD22 3.029 . 4.130 3.765 3.458 4.060 . 0 0 "[ . 1 .]" 1
659 1 29 ASN HB2 1 29 ASN HD21 3.033 . 4.137 2.367 2.196 2.965 . 0 0 "[ . 1 .]" 1
660 1 29 ASN HB3 1 29 ASN HD21 2.985 . 4.054 3.033 2.201 3.472 . 0 0 "[ . 1 .]" 1
661 1 29 ASN HB2 1 29 ASN HD22 3.072 . 4.205 3.540 3.465 3.797 . 0 0 "[ . 1 .]" 1
662 1 44 GLN HE21 1 44 GLN HG2 2.949 . 3.993 2.604 2.245 3.454 . 0 0 "[ . 1 .]" 1
663 1 61 GLN HE22 1 61 GLN HG3 2.944 . 3.984 3.683 3.372 4.032 0.048 9 0 "[ . 1 .]" 1
664 1 61 GLN HE22 1 61 GLN HG2 3.048 . 4.163 3.610 3.357 4.037 . 0 0 "[ . 1 .]" 1
665 1 61 GLN HE21 1 61 GLN HG3 2.960 . 4.011 2.738 2.127 3.462 . 0 0 "[ . 1 .]" 1
666 1 61 GLN HE21 1 61 GLN HG2 2.327 . 2.977 2.584 2.103 3.457 0.480 7 0 "[ . 1 .]" 1
667 1 53 GLN HE22 1 53 GLN HG3 3.583 2.043 5.123 3.722 3.476 4.078 . 0 0 "[ . 1 .]" 1
668 1 12 LYS HA 1 15 TYR H 3.498 2.029 4.967 3.447 3.265 3.549 . 0 0 "[ . 1 .]" 1
669 1 13 ASP HA 1 16 GLU HB2 2.634 . 3.466 2.459 2.288 2.793 . 0 0 "[ . 1 .]" 1
670 1 15 TYR HA 1 16 GLU H 3.134 . 4.313 3.519 3.487 3.554 . 0 0 "[ . 1 .]" 1
671 1 14 LYS HA 1 17 TRP HB3 2.907 . 3.921 2.756 2.661 3.005 . 0 0 "[ . 1 .]" 1
672 1 14 LYS HA 1 17 TRP HB2 2.991 . 4.064 3.894 3.683 4.005 . 0 0 "[ . 1 .]" 1
673 1 14 LYS HA 1 17 TRP H 2.924 . 3.950 3.129 2.951 3.317 . 0 0 "[ . 1 .]" 1
674 1 15 TYR HA 1 18 LEU H 3.236 . 4.492 2.950 2.874 3.003 . 0 0 "[ . 1 .]" 1
675 1 16 GLU HA 1 19 VAL H 3.414 2.016 4.812 3.555 3.413 3.781 . 0 0 "[ . 1 .]" 1
676 1 17 TRP HA 1 20 SER H 3.211 . 4.448 3.019 2.824 3.288 . 0 0 "[ . 1 .]" 1
677 1 18 LEU HA 1 21 ARG H 8.247 . 16.409 3.382 3.314 3.436 . 0 0 "[ . 1 .]" 1
678 1 19 VAL HA 1 22 ILE H 2.624 . 3.450 3.501 3.444 3.554 0.104 11 0 "[ . 1 .]" 1
679 1 19 VAL HA 1 22 ILE HB 2.745 . 3.649 3.260 2.922 3.695 0.046 2 0 "[ . 1 .]" 1
680 1 19 VAL HA 1 22 ILE HG13 3.003 . 4.085 4.076 3.645 4.528 0.443 3 0 "[ . 1 .]" 1
681 1 19 VAL HA 1 22 ILE HG12 3.601 2.045 5.157 4.113 3.889 4.412 . 0 0 "[ . 1 .]" 1
682 1 30 TRP HA 1 33 VAL HB 2.860 . 3.842 3.597 2.703 4.141 0.299 11 0 "[ . 1 .]" 1
683 1 30 TRP HA 1 33 VAL MG2 2.965 . 4.020 2.330 1.767 3.432 0.143 11 0 "[ . 1 .]" 1
684 1 31 LEU HA 1 34 SER H 2.887 . 3.887 3.461 3.298 3.681 . 0 0 "[ . 1 .]" 1
685 1 32 SER HA 1 35 ARG H 2.974 . 4.035 3.137 2.941 3.356 . 0 0 "[ . 1 .]" 1
686 1 32 SER HA 1 35 ARG QB 2.779 . 3.706 2.700 1.744 3.613 0.108 5 0 "[ . 1 .]" 1
687 1 32 SER HA 1 35 ARG HD3 3.049 . 4.165 4.076 2.805 4.562 0.397 1 0 "[ . 1 .]" 1
688 1 32 SER HA 1 35 ARG QG 2.533 . 3.303 1.987 1.683 3.501 0.198 7 0 "[ . 1 .]" 1
689 1 33 VAL HA 1 36 LYS H 2.823 . 3.779 3.189 3.061 3.375 . 0 0 "[ . 1 .]" 1
690 1 35 ARG HA 1 38 GLN H 3.116 . 4.281 3.904 3.639 4.152 . 0 0 "[ . 1 .]" 1
691 1 42 GLU HA 1 45 ASP H 3.408 2.014 4.802 3.734 3.322 4.068 . 0 0 "[ . 1 .]" 1
692 1 41 PRO HA 1 45 ASP H 3.019 . 4.113 3.649 3.392 3.982 . 0 0 "[ . 1 .]" 1
693 1 42 GLU HA 1 46 TYR H 3.106 . 4.264 4.029 3.640 4.292 0.028 1 0 "[ . 1 .]" 1
694 1 44 GLN HA 1 47 VAL H 3.223 . 4.470 3.724 2.999 3.915 . 0 0 "[ . 1 .]" 1
695 1 46 TYR HA 1 49 LEU H 2.922 . 3.947 3.461 3.301 3.825 . 0 0 "[ . 1 .]" 1
696 1 47 VAL HA 1 50 GLU H 2.797 . 3.736 3.734 3.622 3.782 0.046 8 0 "[ . 1 .]" 1
697 1 47 VAL HA 1 51 GLY H 2.664 . 3.516 2.310 2.120 2.483 . 0 0 "[ . 1 .]" 1
698 1 52 THR HA 1 55 ALA MB 2.235 . 2.834 2.354 2.069 2.585 . 0 0 "[ . 1 .]" 1
699 1 58 LEU HA 1 61 GLN H 2.824 . 3.781 3.443 3.203 3.597 . 0 0 "[ . 1 .]" 1
700 1 58 LEU HA 1 61 GLN HB3 4.376 2.078 6.674 4.199 3.471 4.537 . 0 0 "[ . 1 .]" 1
701 1 58 LEU HA 1 61 GLN HB2 3.084 . 4.225 3.170 2.613 4.578 0.353 3 0 "[ . 1 .]" 1
702 1 58 LEU HA 1 61 GLN HG3 3.238 . 4.496 2.897 2.607 3.468 . 0 0 "[ . 1 .]" 1
703 1 59 PHE HA 1 62 HIS H 2.912 . 3.929 3.794 3.572 3.933 0.004 1 0 "[ . 1 .]" 1
704 1 59 PHE HA 1 62 HIS HB3 3.051 . 4.168 3.145 2.798 3.342 . 0 0 "[ . 1 .]" 1
705 1 60 LEU HA 1 63 ILE H 3.000 . 4.080 3.514 3.359 3.742 . 0 0 "[ . 1 .]" 1
706 1 60 LEU HA 1 64 HIS H 3.095 . 4.245 4.282 4.206 4.348 0.103 5 0 "[ . 1 .]" 1
707 1 61 GLN HA 1 64 HIS H 2.468 . 3.199 3.384 3.245 3.473 0.274 10 0 "[ . 1 .]" 1
708 1 61 GLN HA 1 64 HIS HB3 2.756 . 3.667 2.761 2.617 2.920 . 0 0 "[ . 1 .]" 1
709 1 61 GLN HA 1 64 HIS HB2 2.560 . 3.346 3.620 3.180 3.747 0.401 13 0 "[ . 1 .]" 1
710 1 62 HIS HA 1 65 ARG H 2.730 . 3.625 3.136 2.956 3.280 . 0 0 "[ . 1 .]" 1
711 1 63 ILE HA 1 66 LEU HB2 2.826 . 3.784 2.590 2.367 2.892 . 0 0 "[ . 1 .]" 1
712 1 63 ILE HA 1 66 LEU HB3 3.203 . 4.434 3.956 3.458 4.294 . 0 0 "[ . 1 .]" 1
713 1 64 HIS HA 1 67 LYS H 4.400 2.076 6.724 3.437 3.242 3.852 . 0 0 "[ . 1 .]" 1
714 1 64 HIS HA 1 67 LYS QB 2.429 . 3.137 2.678 1.974 3.337 0.200 15 0 "[ . 1 .]" 1
715 1 64 HIS HA 1 67 LYS HG3 3.156 . 4.351 2.475 2.239 2.909 . 0 0 "[ . 1 .]" 1
716 1 51 GLY HA2 1 52 THR H 3.574 2.041 5.107 2.406 2.269 2.506 . 0 0 "[ . 1 .]" 1
717 1 51 GLY HA3 1 52 THR H 2.847 . 3.820 2.703 2.605 2.849 . 0 0 "[ . 1 .]" 1
718 1 59 PHE HB3 1 59 PHE QE 3.308 . 4.621 4.388 4.373 4.405 . 0 0 "[ . 1 .]" 1
719 1 33 VAL HB 1 59 PHE QD 4.041 2.082 6.000 4.475 4.212 4.900 . 0 0 "[ . 1 .]" 1
720 1 26 HIS HB2 1 26 HIS HD1 2.435 . 3.147 3.362 3.220 3.447 0.300 14 0 "[ . 1 .]" 1
721 1 27 ASN HB2 1 28 GLU H 2.984 . 4.053 3.995 3.407 4.248 0.195 12 0 "[ . 1 .]" 1
722 1 22 ILE HG12 1 23 VAL H 3.229 . 4.480 3.870 3.725 4.018 . 0 0 "[ . 1 .]" 1
723 1 22 ILE HG13 1 23 VAL H 3.070 . 4.201 4.200 4.002 4.361 0.160 8 0 "[ . 1 .]" 1
724 1 22 ILE MD 1 23 VAL H 3.306 . 4.617 4.534 4.422 4.688 0.071 7 0 "[ . 1 .]" 1
725 1 8 ILE H 1 8 ILE HG12 2.948 . 3.991 3.172 2.081 3.578 . 0 0 "[ . 1 .]" 1
726 1 8 ILE HB 1 8 ILE HG12 2.775 . 3.699 2.943 2.364 3.021 . 0 0 "[ . 1 .]" 1
727 1 8 ILE HA 1 8 ILE HG12 2.921 . 3.945 2.667 2.469 3.308 . 0 0 "[ . 1 .]" 1
728 1 8 ILE HA 1 8 ILE HG13 2.482 . 3.221 3.041 2.478 3.586 0.365 4 0 "[ . 1 .]" 1
729 1 8 ILE HA 1 8 ILE HB 2.637 . 3.471 3.013 2.986 3.023 . 0 0 "[ . 1 .]" 1
730 1 8 ILE MD 1 8 ILE HG12 2.094 . 2.620 2.115 2.108 2.119 . 0 0 "[ . 1 .]" 1
731 1 63 ILE HB 1 64 HIS H 2.846 . 3.818 2.521 2.435 2.606 . 0 0 "[ . 1 .]" 1
732 1 63 ILE MG 1 64 HIS H 2.894 . 3.899 3.110 3.022 3.315 . 0 0 "[ . 1 .]" 1
733 1 63 ILE HB 1 63 ILE MG 2.153 . 2.709 2.127 2.118 2.135 . 0 0 "[ . 1 .]" 1
734 1 66 LEU HB2 1 66 LEU HG 2.479 . 3.217 2.471 2.397 2.795 . 0 0 "[ . 1 .]" 1
735 1 15 TYR QE 1 58 LEU HG 2.378 . 3.057 2.267 2.029 2.769 . 0 0 "[ . 1 .]" 1
736 1 15 TYR QD 1 58 LEU HG 2.777 . 3.702 2.551 2.206 2.828 . 0 0 "[ . 1 .]" 1
737 1 60 LEU HA 1 60 LEU HG 2.747 . 3.653 3.674 3.663 3.684 0.031 10 0 "[ . 1 .]" 1
738 1 60 LEU HA 1 60 LEU HB3 2.868 . 3.855 2.651 2.634 2.671 . 0 0 "[ . 1 .]" 1
739 1 60 LEU HA 1 60 LEU MD2 2.426 . 3.132 2.439 2.373 2.529 . 0 0 "[ . 1 .]" 1
740 1 60 LEU HA 1 60 LEU MD1 2.570 . 3.363 2.027 1.978 2.090 . 0 0 "[ . 1 .]" 1
741 1 60 LEU HB3 1 60 LEU HG 2.522 . 3.285 2.399 2.377 2.425 . 0 0 "[ . 1 .]" 1
742 1 60 LEU HB3 1 60 LEU MD1 2.211 . 2.797 2.306 2.277 2.333 . 0 0 "[ . 1 .]" 1
743 1 60 LEU MD2 1 60 LEU HG 2.230 . 2.827 2.115 2.113 2.118 . 0 0 "[ . 1 .]" 1
744 1 48 TYR QD 1 49 LEU HB3 3.232 . 4.486 4.397 3.050 4.539 0.053 15 0 "[ . 1 .]" 1
745 1 48 TYR QE 1 49 LEU MD2 2.733 . 3.629 2.247 2.046 2.975 . 0 0 "[ . 1 .]" 1
746 1 49 LEU HB3 1 50 GLU H 3.033 . 4.137 3.332 3.083 4.265 0.128 8 0 "[ . 1 .]" 1
747 1 49 LEU HA 1 49 LEU HB3 2.510 . 3.266 2.379 2.202 2.421 . 0 0 "[ . 1 .]" 1
748 1 49 LEU HA 1 49 LEU HG 2.476 . 3.211 3.206 3.109 3.412 0.201 8 0 "[ . 1 .]" 1
749 1 49 LEU HB3 1 49 LEU HG 2.356 . 3.022 2.967 2.576 2.999 . 0 0 "[ . 1 .]" 1
750 1 49 LEU HB2 1 49 LEU HG 2.360 . 3.029 2.503 2.422 2.979 . 0 0 "[ . 1 .]" 1
751 1 49 LEU MD1 1 49 LEU HG 3.201 . 4.431 2.128 2.123 2.131 . 0 0 "[ . 1 .]" 1
752 1 49 LEU HB2 1 49 LEU MD1 1.844 . 2.252 2.263 2.226 2.291 0.039 3 0 "[ . 1 .]" 1
753 1 49 LEU MD2 1 49 LEU HG 2.079 . 2.598 2.133 2.126 2.136 . 0 0 "[ . 1 .]" 1
754 1 49 LEU HB3 1 49 LEU MD2 2.263 . 2.878 2.319 2.167 2.386 . 0 0 "[ . 1 .]" 1
755 1 49 LEU HG 1 50 GLU H 2.641 . 3.478 3.725 3.375 3.780 0.302 5 0 "[ . 1 .]" 1
756 1 48 TYR QE 1 49 LEU HG 3.134 . 4.312 4.091 3.739 4.364 0.052 3 0 "[ . 1 .]" 1
757 1 48 TYR QD 1 49 LEU HG 2.523 . 3.287 2.298 2.082 2.487 . 0 0 "[ . 1 .]" 1
758 1 31 LEU HG 1 32 SER H 3.215 . 4.455 4.701 4.502 4.783 0.328 6 0 "[ . 1 .]" 1
759 1 31 LEU HB2 1 32 SER H 2.797 . 3.736 2.315 2.215 2.528 . 0 0 "[ . 1 .]" 1
760 1 31 LEU HB2 1 31 LEU HG 2.081 . 2.601 2.457 2.434 2.469 . 0 0 "[ . 1 .]" 1
761 1 18 LEU HB2 1 18 LEU MD1 2.638 . 3.473 3.161 3.100 3.186 . 0 0 "[ . 1 .]" 1
762 1 18 LEU HB3 1 18 LEU HG 2.581 . 3.380 2.554 2.465 2.656 . 0 0 "[ . 1 .]" 1
763 1 18 LEU HB2 1 18 LEU HG 2.909 . 3.925 2.351 2.264 2.389 . 0 0 "[ . 1 .]" 1
764 1 18 LEU HA 1 18 LEU HB2 2.888 . 3.889 2.993 2.962 3.018 . 0 0 "[ . 1 .]" 1
765 1 18 LEU H 1 18 LEU MD2 2.988 . 4.059 2.249 2.099 2.439 . 0 0 "[ . 1 .]" 1
766 1 18 LEU HA 1 18 LEU MD2 2.230 . 2.827 2.115 1.730 2.400 . 0 0 "[ . 1 .]" 1
767 1 18 LEU HB3 1 18 LEU MD2 3.198 . 4.425 3.171 3.125 3.195 . 0 0 "[ . 1 .]" 1
768 1 32 SER HB3 1 33 VAL H 3.061 . 4.185 3.832 3.469 4.186 0.001 4 0 "[ . 1 .]" 1
769 1 32 SER H 1 32 SER HB3 2.876 . 3.869 3.438 2.403 3.597 . 0 0 "[ . 1 .]" 1
770 1 40 SER HB3 1 43 TYR H 3.446 2.021 4.871 3.464 3.252 3.821 . 0 0 "[ . 1 .]" 1
771 1 40 SER HB2 1 43 TYR H 3.432 2.018 4.846 2.803 2.609 2.954 . 0 0 "[ . 1 .]" 1
772 1 34 SER HA 1 35 ARG H 3.056 . 4.177 3.535 3.479 3.589 . 0 0 "[ . 1 .]" 1
773 1 34 SER HA 1 37 MET H 3.246 . 4.511 3.162 2.997 3.288 . 0 0 "[ . 1 .]" 1
774 1 21 ARG HG3 1 22 ILE H 2.704 . 3.581 3.470 3.204 3.891 0.310 14 0 "[ . 1 .]" 1
775 1 21 ARG HA 1 21 ARG HG3 2.555 . 3.338 3.231 2.867 3.370 0.032 11 0 "[ . 1 .]" 1
776 1 21 ARG HD3 1 21 ARG HG3 2.740 . 3.641 2.997 2.959 3.007 . 0 0 "[ . 1 .]" 1
777 1 21 ARG HD2 1 21 ARG HG3 2.873 . 3.864 2.508 2.409 2.665 . 0 0 "[ . 1 .]" 1
778 1 21 ARG QB 1 21 ARG HG2 2.293 . 2.924 2.235 2.220 2.263 . 0 0 "[ . 1 .]" 1
779 1 21 ARG QB 1 21 ARG HG3 2.197 . 2.776 2.340 2.304 2.364 . 0 0 "[ . 1 .]" 1
780 1 35 ARG HD3 1 36 LYS H 3.438 2.020 4.856 4.993 4.742 5.626 0.770 13 2 "[ - 1 + .]" 1
781 1 65 ARG HG3 1 66 LEU H 3.267 . 4.548 4.270 4.013 4.643 0.095 2 0 "[ . 1 .]" 1
782 1 65 ARG H 1 65 ARG HG2 2.513 . 3.271 2.869 1.741 3.512 0.241 13 0 "[ . 1 .]" 1
783 1 65 ARG HG2 1 66 LEU H 3.227 . 4.477 4.525 3.899 4.765 0.288 7 0 "[ . 1 .]" 1
784 1 65 ARG HA 1 65 ARG HG3 2.536 . 3.308 2.955 2.397 3.684 0.376 12 0 "[ . 1 .]" 1
785 1 65 ARG QD 1 65 ARG HG3 2.632 . 3.463 2.258 2.088 2.487 . 0 0 "[ . 1 .]" 1
786 1 65 ARG HB3 1 65 ARG HG3 2.444 . 3.161 2.786 2.296 2.970 . 0 0 "[ . 1 .]" 1
787 1 65 ARG QD 1 65 ARG HG2 2.637 . 3.421 2.292 2.126 2.447 . 0 0 "[ . 1 .]" 1
788 1 65 ARG HB3 1 65 ARG QD 3.043 . 4.154 2.601 2.258 2.921 . 0 0 "[ . 1 .]" 1
789 1 65 ARG H 1 65 ARG QD 2.562 . 3.350 3.139 2.513 3.887 0.537 14 1 "[ . 1 +.]" 1
790 1 65 ARG HA 1 65 ARG QD 2.972 . 4.032 3.359 1.806 3.978 0.133 3 0 "[ . 1 .]" 1
791 1 65 ARG HA 1 68 HIS H 3.054 . 4.173 3.358 3.172 3.678 . 0 0 "[ . 1 .]" 1
792 1 65 ARG H 1 65 ARG HB2 2.607 . 3.423 2.352 2.113 2.512 . 0 0 "[ . 1 .]" 1
793 1 65 ARG HB2 1 66 LEU H 2.604 . 3.418 2.282 2.175 2.399 . 0 0 "[ . 1 .]" 1
794 1 37 MET HA 1 37 MET HG3 3.182 . 4.397 2.820 2.549 3.004 . 0 0 "[ . 1 .]" 1
795 1 37 MET HA 1 37 MET HG2 2.599 . 3.410 2.337 2.214 2.569 . 0 0 "[ . 1 .]" 1
796 1 37 MET HA 1 37 MET HB2 2.984 . 4.052 2.962 2.910 2.996 . 0 0 "[ . 1 .]" 1
797 1 37 MET HB3 1 37 MET HG3 2.705 . 3.583 2.997 2.985 3.011 . 0 0 "[ . 1 .]" 1
798 1 37 MET HB2 1 37 MET HG2 2.441 . 3.156 2.999 2.992 3.008 . 0 0 "[ . 1 .]" 1
799 1 37 MET HB3 1 37 MET HG2 2.499 . 3.248 2.496 2.350 2.578 . 0 0 "[ . 1 .]" 1
800 1 41 PRO HG3 1 42 GLU H 3.183 . 4.399 4.053 4.012 4.089 . 0 0 "[ . 1 .]" 1
801 1 41 PRO HD3 1 42 GLU H 3.065 . 4.193 4.018 3.911 4.182 . 0 0 "[ . 1 .]" 1
802 1 40 SER H 1 41 PRO HD3 3.217 . 4.459 4.629 4.502 4.825 0.366 15 0 "[ . 1 .]" 1
803 1 41 PRO HA 1 41 PRO HD3 3.255 . 4.527 3.344 3.197 3.418 . 0 0 "[ . 1 .]" 1
804 1 40 SER HA 1 41 PRO HD3 2.558 . 3.343 2.383 2.129 2.592 . 0 0 "[ . 1 .]" 1
805 1 41 PRO HA 1 41 PRO HB3 2.267 . 2.884 2.251 2.242 2.261 . 0 0 "[ . 1 .]" 1
806 1 41 PRO HA 1 41 PRO HG2 2.810 . 3.758 3.874 3.838 3.924 0.166 4 0 "[ . 1 .]" 1
807 1 41 PRO HA 1 41 PRO HB2 2.417 . 3.118 2.787 2.772 2.815 . 0 0 "[ . 1 .]" 1
808 1 41 PRO HB3 1 41 PRO HD3 2.995 . 4.072 3.074 2.954 3.225 . 0 0 "[ . 1 .]" 1
809 1 41 PRO HD3 1 41 PRO HG2 2.793 . 3.729 2.978 2.962 2.990 . 0 0 "[ . 1 .]" 1
810 1 41 PRO HD3 1 41 PRO HG3 2.613 . 3.433 2.307 2.295 2.320 . 0 0 "[ . 1 .]" 1
811 1 41 PRO HB2 1 41 PRO HD3 3.517 2.033 5.001 3.911 3.864 3.963 . 0 0 "[ . 1 .]" 1
812 1 41 PRO HB2 1 41 PRO HG2 2.379 . 3.058 2.255 2.243 2.269 . 0 0 "[ . 1 .]" 1
813 1 41 PRO HB2 1 41 PRO HG3 2.164 . 2.726 2.694 2.670 2.728 0.002 4 0 "[ . 1 .]" 1
814 1 41 PRO HB3 1 41 PRO HG3 2.066 . 2.578 2.254 2.244 2.267 . 0 0 "[ . 1 .]" 1
815 1 41 PRO HB3 1 41 PRO HG2 2.553 . 3.335 2.919 2.908 2.934 . 0 0 "[ . 1 .]" 1
816 1 42 GLU HB2 1 42 GLU HG3 2.889 . 3.891 2.756 2.462 3.002 . 0 0 "[ . 1 .]" 1
817 1 42 GLU HA 1 42 GLU HG3 3.408 2.015 4.801 3.061 2.322 3.816 . 0 0 "[ . 1 .]" 1
818 1 50 GLU H 1 50 GLU HB2 2.902 . 3.913 2.423 2.320 2.766 . 0 0 "[ . 1 .]" 1
819 1 50 GLU H 1 50 GLU HG3 2.882 . 3.879 3.864 3.689 4.074 0.195 5 0 "[ . 1 .]" 1
820 1 50 GLU H 1 50 GLU HB3 2.931 . 3.962 3.521 2.143 3.655 . 0 0 "[ . 1 .]" 1
821 1 50 GLU HG3 1 51 GLY H 3.781 2.065 5.497 4.308 2.967 4.721 . 0 0 "[ . 1 .]" 1
822 1 50 GLU HB3 1 51 GLY H 3.085 . 4.227 2.777 2.262 3.219 . 0 0 "[ . 1 .]" 1
823 1 50 GLU HG2 1 51 GLY H 3.097 . 4.248 4.232 3.746 4.346 0.098 13 0 "[ . 1 .]" 1
824 1 50 GLU HB2 1 51 GLY H 3.611 2.046 5.176 2.191 1.998 3.802 0.048 6 0 "[ . 1 .]" 1
825 1 50 GLU HA 1 50 GLU HB2 2.902 . 3.912 2.968 2.346 3.018 . 0 0 "[ . 1 .]" 1
826 1 50 GLU HB2 1 50 GLU HG3 2.570 . 3.363 2.416 2.310 2.944 . 0 0 "[ . 1 .]" 1
827 1 50 GLU HB2 1 50 GLU HG2 2.522 . 3.285 2.478 2.410 2.553 . 0 0 "[ . 1 .]" 1
828 1 50 GLU HB3 1 50 GLU HG2 2.673 . 3.531 2.950 2.237 3.009 . 0 0 "[ . 1 .]" 1
829 1 69 GLU HA 1 69 GLU HG3 2.254 . 2.864 2.690 2.385 3.404 0.540 5 1 "[ + 1 .]" 1
830 1 69 GLU HB2 1 69 GLU HG3 2.111 . 2.646 2.330 2.243 2.525 . 0 0 "[ . 1 .]" 1
831 1 15 TYR QD 1 16 GLU HB2 3.263 . 4.540 4.705 4.423 5.017 0.477 13 0 "[ . 1 .]" 1
832 1 16 GLU HB2 1 17 TRP H 3.013 . 4.103 2.897 2.679 3.051 . 0 0 "[ . 1 .]" 1
833 1 44 GLN HB2 1 45 ASP H 2.907 . 3.921 2.087 1.865 3.897 0.028 4 0 "[ . 1 .]" 1
834 1 44 GLN H 1 44 GLN HB2 2.800 . 3.741 2.645 2.481 3.596 . 0 0 "[ . 1 .]" 1
835 1 44 GLN HB2 1 44 GLN HG2 2.556 . 3.340 2.580 2.445 3.008 . 0 0 "[ . 1 .]" 1
836 1 44 GLN HB3 1 44 GLN HG2 2.660 . 3.509 2.944 2.478 2.991 . 0 0 "[ . 1 .]" 1
837 1 61 GLN HG3 1 62 HIS H 3.297 . 4.602 3.870 2.209 4.592 . 0 0 "[ . 1 .]" 1
838 1 61 GLN HG2 1 62 HIS H 2.919 . 3.942 3.962 2.524 4.789 0.847 15 4 "[ .* 1 *-+]" 1
839 1 61 GLN HB3 1 62 HIS H 3.123 . 4.294 3.366 2.899 4.137 . 0 0 "[ . 1 .]" 1
840 1 61 GLN HB3 1 61 GLN HG2 2.115 . 2.652 2.713 2.352 2.993 0.341 10 0 "[ . 1 .]" 1
841 1 53 GLN H 1 53 GLN HA 2.841 . 3.810 2.840 2.819 2.857 . 0 0 "[ . 1 .]" 1
842 1 53 GLN HA 1 54 LYS H 2.762 . 3.678 3.530 3.471 3.582 . 0 0 "[ . 1 .]" 1
843 1 53 GLN HB2 1 54 LYS H 3.045 . 4.157 2.574 2.038 3.885 . 0 0 "[ . 1 .]" 1
844 1 53 GLN H 1 53 GLN HB2 2.971 . 4.030 2.647 2.390 3.610 . 0 0 "[ . 1 .]" 1
845 1 53 GLN HA 1 53 GLN HG3 2.634 . 3.467 3.376 2.424 3.758 0.291 10 0 "[ . 1 .]" 1
846 1 53 GLN HA 1 53 GLN HB3 2.499 . 3.248 2.440 2.403 2.507 . 0 0 "[ . 1 .]" 1
847 1 53 GLN HA 1 53 GLN HB2 2.392 . 3.079 2.941 2.445 3.024 . 0 0 "[ . 1 .]" 1
848 1 53 GLN HB2 1 53 GLN HG3 2.291 . 2.921 2.408 2.197 2.998 0.077 11 0 "[ . 1 .]" 1
849 1 53 GLN HB3 1 53 GLN HG3 2.182 . 2.753 2.828 2.419 3.002 0.249 8 0 "[ . 1 .]" 1
850 1 56 LYS H 1 56 LYS HG2 3.392 2.011 4.773 4.335 3.558 4.495 . 0 0 "[ . 1 .]" 1
851 1 56 LYS H 1 56 LYS HG3 2.926 . 3.953 4.323 4.129 4.484 0.531 8 2 "[ -. + 1 .]" 1
852 1 56 LYS HG3 1 57 LYS H 4.630 2.058 7.202 4.471 4.256 4.643 . 0 0 "[ . 1 .]" 1
853 1 56 LYS HG2 1 57 LYS H 3.652 2.052 5.252 3.553 3.036 4.718 . 0 0 "[ . 1 .]" 1
854 1 56 LYS HE3 1 56 LYS HG2 3.129 . 4.304 3.201 2.751 3.732 . 0 0 "[ . 1 .]" 1
855 1 56 LYS HA 1 56 LYS HG2 3.100 . 4.253 3.082 2.444 3.243 . 0 0 "[ . 1 .]" 1
856 1 56 LYS HB2 1 56 LYS HG2 2.836 . 3.801 2.951 2.476 3.002 . 0 0 "[ . 1 .]" 1
857 1 56 LYS HD2 1 56 LYS HG3 2.701 . 3.577 2.468 2.394 2.587 . 0 0 "[ . 1 .]" 1
858 1 56 LYS HD3 1 56 LYS HG3 2.392 . 3.079 3.005 2.981 3.015 . 0 0 "[ . 1 .]" 1
859 1 56 LYS HE3 1 56 LYS HG3 2.892 . 3.896 2.704 2.417 3.741 . 0 0 "[ . 1 .]" 1
860 1 56 LYS HD3 1 56 LYS HE3 2.819 . 3.773 2.893 2.430 3.016 . 0 0 "[ . 1 .]" 1
861 1 56 LYS HA 1 56 LYS HB3 2.973 . 4.033 3.015 2.896 3.029 . 0 0 "[ . 1 .]" 1
862 1 56 LYS HB3 1 56 LYS HD3 2.220 . 2.811 2.604 2.442 3.208 0.397 9 0 "[ . 1 .]" 1
863 1 56 LYS HB3 1 56 LYS HD2 3.006 . 4.090 3.023 2.289 3.178 . 0 0 "[ . 1 .]" 1
864 1 56 LYS HA 1 56 LYS HG3 3.078 . 4.215 2.544 2.360 3.634 . 0 0 "[ . 1 .]" 1
865 1 12 LYS HA 1 12 LYS HG2 3.141 . 4.325 3.263 3.128 3.329 . 0 0 "[ . 1 .]" 1
866 1 12 LYS HB3 1 12 LYS HG3 2.585 . 3.387 3.004 2.999 3.010 . 0 0 "[ . 1 .]" 1
867 1 12 LYS HB2 1 12 LYS HG3 2.566 . 3.356 2.509 2.448 2.534 . 0 0 "[ . 1 .]" 1
868 1 12 LYS HG3 1 46 TYR QE 3.266 . 4.546 2.939 2.478 3.443 . 0 0 "[ . 1 .]" 1
869 1 12 LYS HG2 1 46 TYR QE 3.751 2.062 5.440 4.227 3.850 4.603 . 0 0 "[ . 1 .]" 1
870 1 12 LYS HE2 1 58 LEU MD1 2.714 . 3.598 2.666 2.289 3.315 . 0 0 "[ . 1 .]" 1
871 1 12 LYS HB3 1 12 LYS HD3 3.053 . 4.171 2.586 2.485 2.652 . 0 0 "[ . 1 .]" 1
872 1 12 LYS HB2 1 12 LYS HD3 2.483 . 3.223 2.923 2.803 3.016 . 0 0 "[ . 1 .]" 1
873 1 12 LYS HD3 1 12 LYS HG3 2.625 . 3.452 3.015 3.007 3.018 . 0 0 "[ . 1 .]" 1
874 1 12 LYS HD3 1 12 LYS HG2 2.875 . 3.867 2.458 2.405 2.506 . 0 0 "[ . 1 .]" 1
875 1 54 LYS H 1 54 LYS HA 2.576 . 3.373 2.818 2.764 2.866 . 0 0 "[ . 1 .]" 1
876 1 24 LYS HA 1 24 LYS HB3 2.406 . 3.100 2.809 2.386 3.006 . 0 0 "[ . 1 .]" 1
877 1 24 LYS HA 1 24 LYS HB2 2.609 . 3.426 2.691 2.452 2.992 . 0 0 "[ . 1 .]" 1
878 1 24 LYS HA 1 24 LYS HD3 2.481 . 3.220 2.727 1.660 3.445 0.225 11 0 "[ . 1 .]" 1
879 1 24 LYS HA 1 24 LYS HG2 2.707 . 3.586 3.426 2.578 3.692 0.106 15 0 "[ . 1 .]" 1
880 1 24 LYS HB3 1 24 LYS HD3 2.483 . 3.223 3.423 2.298 4.155 0.932 11 2 "[ . 1+- .]" 1
881 1 24 LYS HB3 1 24 LYS HG2 2.451 . 3.172 2.545 2.240 2.992 . 0 0 "[ . 1 .]" 1
882 1 24 LYS HB2 1 24 LYS HG2 2.466 . 3.196 2.435 2.273 2.656 . 0 0 "[ . 1 .]" 1
883 1 24 LYS HD3 1 24 LYS HG2 2.072 . 2.587 2.433 2.291 2.619 0.032 11 0 "[ . 1 .]" 1
884 1 24 LYS HB2 1 24 LYS HD3 2.652 . 3.496 2.882 2.138 3.825 0.329 4 0 "[ . 1 .]" 1
885 1 24 LYS HD3 1 24 LYS HE3 2.401 . 3.093 2.831 2.317 3.005 . 0 0 "[ . 1 .]" 1
886 1 24 LYS HE3 1 24 LYS HG2 2.560 . 3.346 3.022 2.567 3.740 0.394 4 0 "[ . 1 .]" 1
887 1 24 LYS HB3 1 24 LYS HE3 3.075 . 4.209 4.525 3.334 4.945 0.736 8 5 "[ * .* + 1 -*]" 1
888 1 24 LYS HG2 1 25 ASN H 3.212 . 4.450 4.318 3.942 4.529 0.079 3 0 "[ . 1 .]" 1
889 1 57 LYS H 1 57 LYS QE 3.368 2.007 4.729 4.408 3.429 5.362 0.633 14 2 "[ . 1 -+.]" 1
890 1 57 LYS H 1 57 LYS QD 2.859 . 3.840 3.090 2.144 3.995 0.155 12 0 "[ . 1 .]" 1
891 1 57 LYS HA 1 60 LEU H 3.024 . 4.121 3.325 3.184 3.473 . 0 0 "[ . 1 .]" 1
892 1 56 LYS HA 1 59 PHE H 3.401 2.013 4.789 3.313 3.168 3.812 . 0 0 "[ . 1 .]" 1
893 1 57 LYS HA 1 57 LYS HB2 2.561 . 3.348 2.870 2.558 3.021 . 0 0 "[ . 1 .]" 1
894 1 57 LYS HA 1 57 LYS QD 2.701 . 3.576 2.452 1.715 4.124 0.548 3 1 "[ + . 1 .]" 1
895 1 57 LYS HA 1 57 LYS QG 2.748 . 3.654 2.513 2.100 2.984 . 0 0 "[ . 1 .]" 1
896 1 57 LYS QD 1 57 LYS QE 2.118 . 2.656 2.060 2.042 2.086 . 0 0 "[ . 1 .]" 1
897 1 57 LYS QE 1 57 LYS QG 2.135 . 2.682 2.123 1.996 2.406 . 0 0 "[ . 1 .]" 1
898 1 57 LYS QD 1 57 LYS QG 2.260 . 2.873 2.047 1.923 2.088 . 0 0 "[ . 1 .]" 1
899 1 57 LYS HB2 1 57 LYS QD 2.341 . 2.999 2.575 2.073 3.304 0.305 8 0 "[ . 1 .]" 1
900 1 36 LYS H 1 36 LYS HG2 2.796 . 3.734 2.705 1.887 3.362 . 0 0 "[ . 1 .]" 1
901 1 36 LYS H 1 36 LYS HB2 2.641 . 3.478 2.528 2.292 2.670 . 0 0 "[ . 1 .]" 1
902 1 36 LYS HA 1 36 LYS HG2 2.406 . 3.101 2.548 2.352 3.038 . 0 0 "[ . 1 .]" 1
903 1 36 LYS HA 1 36 LYS HB2 2.322 . 2.969 3.006 2.969 3.018 0.049 9 0 "[ . 1 .]" 1
904 1 36 LYS HA 1 36 LYS HB3 2.692 . 3.562 2.442 2.388 2.552 . 0 0 "[ . 1 .]" 1
905 1 36 LYS HD3 1 36 LYS HE3 2.423 . 3.128 2.884 2.303 3.019 . 0 0 "[ . 1 .]" 1
906 1 36 LYS HE3 1 36 LYS HG3 2.340 . 2.997 2.655 2.451 3.529 0.532 2 1 "[ + . 1 .]" 1
907 1 36 LYS HE3 1 36 LYS HG2 2.861 . 3.843 2.988 2.513 3.300 . 0 0 "[ . 1 .]" 1
908 1 36 LYS HB3 1 36 LYS HG3 2.309 . 2.949 2.868 2.319 2.993 0.044 4 0 "[ . 1 .]" 1
909 1 36 LYS HB3 1 36 LYS HG2 2.954 . 4.001 2.552 2.420 2.985 . 0 0 "[ . 1 .]" 1
910 1 36 LYS HB2 1 36 LYS HG2 2.357 . 3.023 2.856 2.371 2.961 . 0 0 "[ . 1 .]" 1
911 1 36 LYS HB2 1 36 LYS HG3 2.346 . 3.007 2.361 2.234 2.390 . 0 0 "[ . 1 .]" 1
912 1 36 LYS HB3 1 36 LYS HD3 2.374 . 3.050 2.518 2.336 3.101 0.051 3 0 "[ . 1 .]" 1
913 1 36 LYS HD3 1 36 LYS HG2 2.062 . 2.572 2.423 2.369 2.532 . 0 0 "[ . 1 .]" 1
914 1 36 LYS HB3 1 37 MET H 3.010 . 4.097 3.125 2.619 3.421 . 0 0 "[ . 1 .]" 1
915 1 36 LYS HG2 1 37 MET H 2.962 . 4.015 4.377 3.906 4.487 0.472 8 0 "[ . 1 .]" 1
916 1 36 LYS HB2 1 37 MET H 2.990 . 4.063 1.984 1.865 2.442 0.052 9 0 "[ . 1 .]" 1
917 1 52 THR HA 1 55 ALA H 3.075 . 4.210 3.534 3.313 3.719 . 0 0 "[ . 1 .]" 1
918 1 54 LYS HA 1 57 LYS H 2.579 . 3.377 3.311 3.102 3.412 0.035 14 0 "[ . 1 .]" 1
919 1 54 LYS HB2 1 55 ALA H 3.128 . 4.302 2.760 2.524 3.677 . 0 0 "[ . 1 .]" 1
920 1 54 LYS H 1 54 LYS HB2 2.725 . 3.616 2.405 2.143 2.635 . 0 0 "[ . 1 .]" 1
921 1 54 LYS H 1 54 LYS HG3 2.733 . 3.629 2.455 2.040 4.142 0.513 1 1 "[+ . 1 .]" 1
922 1 54 LYS HG3 1 55 ALA H 3.330 . 4.661 4.338 3.992 5.047 0.386 1 0 "[ . 1 .]" 1
923 1 54 LYS HA 1 54 LYS HG3 2.332 . 2.985 3.083 2.342 3.261 0.276 15 0 "[ . 1 .]" 1
924 1 54 LYS HB3 1 54 LYS HG3 2.270 . 2.889 2.945 2.918 2.981 0.092 1 0 "[ . 1 .]" 1
925 1 54 LYS HA 1 54 LYS HG2 2.392 . 3.078 2.325 2.118 2.642 . 0 0 "[ . 1 .]" 1
926 1 54 LYS H 1 54 LYS HG2 2.995 . 4.071 3.307 2.962 4.454 0.383 1 0 "[ . 1 .]" 1
927 1 54 LYS H 1 54 LYS HD3 3.374 2.008 4.740 4.864 4.720 4.999 0.259 9 0 "[ . 1 .]" 1
928 1 54 LYS HA 1 54 LYS HD3 2.946 . 3.987 4.047 3.760 4.362 0.375 1 0 "[ . 1 .]" 1
929 1 54 LYS HB3 1 54 LYS HG2 2.750 . 3.657 2.511 2.415 2.608 . 0 0 "[ . 1 .]" 1
930 1 54 LYS HD3 1 54 LYS HG2 2.445 . 3.162 2.361 2.266 2.606 . 0 0 "[ . 1 .]" 1
931 1 54 LYS HB2 1 54 LYS HG2 2.110 . 2.644 2.955 2.929 2.992 0.348 1 0 "[ . 1 .]" 1
932 1 54 LYS HB3 1 54 LYS HD3 4.341 2.080 6.602 2.503 2.123 2.748 . 0 0 "[ . 1 .]" 1
933 1 54 LYS HB2 1 54 LYS HD3 2.571 . 3.364 3.338 2.842 3.560 0.196 13 0 "[ . 1 .]" 1
934 1 54 LYS HD3 1 54 LYS HG3 2.522 . 3.285 2.973 2.942 2.992 . 0 0 "[ . 1 .]" 1
935 1 54 LYS HE3 1 54 LYS HG2 2.595 . 3.403 3.193 2.815 3.427 0.024 3 0 "[ . 1 .]" 1
936 1 54 LYS HE3 1 54 LYS HG3 2.470 . 3.202 2.414 2.278 2.797 . 0 0 "[ . 1 .]" 1
937 1 54 LYS HD3 1 54 LYS HE3 2.481 . 3.219 3.014 3.008 3.019 . 0 0 "[ . 1 .]" 1
938 1 14 LYS HA 1 15 TYR H 3.604 2.045 5.163 3.554 3.539 3.571 . 0 0 "[ . 1 .]" 1
939 1 14 LYS H 1 14 LYS HB3 2.892 . 3.895 2.736 2.377 3.365 . 0 0 "[ . 1 .]" 1
940 1 14 LYS H 1 14 LYS HG3 2.988 . 4.059 4.249 3.867 4.400 0.341 13 0 "[ . 1 .]" 1
941 1 14 LYS HA 1 14 LYS HB3 2.633 . 3.465 2.981 2.786 3.020 . 0 0 "[ . 1 .]" 1
942 1 14 LYS HA 1 14 LYS HG3 2.672 . 3.529 2.337 2.086 2.505 . 0 0 "[ . 1 .]" 1
943 1 16 GLU H 1 16 GLU HB3 2.338 . 2.994 3.411 3.296 3.518 0.524 11 2 "[ . 1+ - .]" 1
944 1 16 GLU HA 1 16 GLU HB3 2.416 . 3.117 2.617 2.480 2.741 . 0 0 "[ . 1 .]" 1
945 1 16 GLU HB3 1 16 GLU QG 2.345 . 3.005 2.411 2.336 2.502 . 0 0 "[ . 1 .]" 1
946 1 38 GLN H 1 38 GLN HA 2.479 . 3.217 2.812 2.786 2.844 . 0 0 "[ . 1 .]" 1
947 1 38 GLN H 1 38 GLN HG3 2.797 . 3.736 2.721 1.948 3.557 . 0 0 "[ . 1 .]" 1
948 1 38 GLN H 1 38 GLN HG2 3.036 . 4.142 2.949 2.153 3.543 . 0 0 "[ . 1 .]" 1
949 1 38 GLN H 1 38 GLN HB3 2.663 . 3.514 2.531 2.392 2.694 . 0 0 "[ . 1 .]" 1
950 1 38 GLN HA 1 39 ALA H 2.842 . 3.811 3.371 2.712 3.467 . 0 0 "[ . 1 .]" 1
951 1 38 GLN HB3 1 39 ALA H 2.850 . 3.825 4.023 3.428 4.168 0.343 15 0 "[ . 1 .]" 1
952 1 38 GLN HA 1 43 TYR QD 2.413 . 3.112 2.002 1.750 2.566 . 0 0 "[ . 1 .]" 1
953 1 38 GLN HA 1 43 TYR QE 2.549 . 3.329 2.709 2.334 3.450 0.121 10 0 "[ . 1 .]" 1
954 1 38 GLN HB3 1 43 TYR QE 2.282 . 2.907 2.812 2.449 2.999 0.092 13 0 "[ . 1 .]" 1
955 1 38 GLN HE21 1 38 GLN HG3 2.859 . 3.840 2.772 2.188 3.478 . 0 0 "[ . 1 .]" 1
956 1 38 GLN HE21 1 38 GLN HG2 2.839 . 3.806 2.869 2.227 2.942 . 0 0 "[ . 1 .]" 1
957 1 53 GLN HA 1 56 LYS H 2.509 . 3.264 3.298 3.072 3.413 0.149 6 0 "[ . 1 .]" 1
958 1 53 GLN HE21 1 53 GLN HG3 3.003 . 4.085 2.768 2.221 3.515 . 0 0 "[ . 1 .]" 1
959 1 30 TRP HA 1 30 TRP HE3 2.502 . 3.253 2.307 2.280 2.370 . 0 0 "[ . 1 .]" 1
960 1 30 TRP HB2 1 59 PHE QE 2.997 . 4.075 2.603 2.456 2.756 . 0 0 "[ . 1 .]" 1
961 1 30 TRP HB3 1 59 PHE QE 3.169 . 4.374 3.488 3.376 3.606 . 0 0 "[ . 1 .]" 1
962 1 30 TRP HA 1 59 PHE QE 2.884 . 3.882 3.373 3.286 3.469 . 0 0 "[ . 1 .]" 1
963 1 30 TRP HA 1 59 PHE QD 2.815 . 3.766 3.626 3.522 3.779 0.013 6 0 "[ . 1 .]" 1
964 1 30 TRP HB2 1 59 PHE QD 2.690 . 3.558 2.229 2.154 2.287 . 0 0 "[ . 1 .]" 1
965 1 30 TRP HB3 1 59 PHE QD 3.381 2.009 4.753 3.763 3.691 3.798 . 0 0 "[ . 1 .]" 1
966 1 30 TRP HD1 1 56 LYS HG3 3.134 . 4.312 3.025 2.786 4.005 . 0 0 "[ . 1 .]" 1
967 1 30 TRP HD1 1 56 LYS HG2 3.489 2.028 4.950 4.288 3.044 4.460 . 0 0 "[ . 1 .]" 1
968 1 30 TRP HD1 1 56 LYS HE3 2.724 . 3.615 2.357 1.808 3.591 0.025 9 0 "[ . 1 .]" 1
969 1 30 TRP HD1 1 56 LYS HD2 2.863 . 3.846 2.653 2.354 4.133 0.287 9 0 "[ . 1 .]" 1
970 1 30 TRP HD1 1 56 LYS HD3 3.090 . 4.236 4.004 2.784 4.287 0.051 1 0 "[ . 1 .]" 1
971 1 30 TRP HD1 1 31 LEU MD1 2.900 . 3.909 2.543 2.341 3.918 0.009 4 0 "[ . 1 .]" 1
972 1 30 TRP HD1 1 31 LEU MD2 2.461 . 3.188 1.964 1.777 2.985 . 0 0 "[ . 1 .]" 1
973 1 30 TRP HD1 1 31 LEU HA 3.102 . 4.257 3.762 3.576 3.903 . 0 0 "[ . 1 .]" 1
974 1 34 SER HA 1 43 TYR QE 3.077 . 4.213 3.134 2.423 3.518 . 0 0 "[ . 1 .]" 1
975 1 34 SER HB3 1 43 TYR QE 3.183 . 4.399 3.562 2.493 4.560 0.161 9 0 "[ . 1 .]" 1
976 1 34 SER HB2 1 43 TYR QE 3.249 . 4.516 3.554 2.451 4.443 . 0 0 "[ . 1 .]" 1
977 1 30 TRP HE3 1 59 PHE QD 2.743 . 3.646 3.184 3.106 3.305 . 0 0 "[ . 1 .]" 1
978 1 30 TRP HB2 1 30 TRP HE3 3.209 . 4.445 2.967 2.917 3.025 . 0 0 "[ . 1 .]" 1
979 1 30 TRP HB3 1 30 TRP HE3 3.442 2.020 4.864 4.211 4.184 4.240 . 0 0 "[ . 1 .]" 1
980 1 30 TRP HE3 1 59 PHE HB2 3.267 . 4.548 2.564 2.381 2.764 . 0 0 "[ . 1 .]" 1
981 1 30 TRP HE3 1 59 PHE HB3 3.240 . 4.500 3.212 2.998 3.598 . 0 0 "[ . 1 .]" 1
982 1 30 TRP HE3 1 33 VAL HB 2.920 . 3.943 3.884 3.301 4.219 0.276 15 0 "[ . 1 .]" 1
983 1 30 TRP H 1 30 TRP HE3 3.417 2.016 4.818 4.763 4.710 4.813 . 0 0 "[ . 1 .]" 1
984 1 30 TRP H 1 59 PHE QD 3.222 . 4.468 4.167 3.992 4.397 . 0 0 "[ . 1 .]" 1
985 1 30 TRP H 1 59 PHE QE 3.189 . 4.409 2.574 2.374 2.775 . 0 0 "[ . 1 .]" 1
986 1 46 TYR QD 1 47 VAL MG2 3.476 2.026 4.926 2.801 2.578 3.078 . 0 0 "[ . 1 .]" 1
987 1 15 TYR QE 1 55 ALA HA 2.502 . 3.253 2.880 2.543 3.162 . 0 0 "[ . 1 .]" 1
988 1 15 TYR QD 1 55 ALA HA 3.127 . 4.300 4.303 4.115 4.408 0.108 15 0 "[ . 1 .]" 1
989 1 15 TYR QE 1 55 ALA MB 2.657 . 3.504 2.844 2.746 2.920 . 0 0 "[ . 1 .]" 1
990 1 18 LEU HG 1 43 TYR HB3 3.338 2.001 4.675 4.360 4.184 4.756 0.081 10 0 "[ . 1 .]" 1
991 1 18 LEU HG 1 43 TYR HB2 3.039 . 4.147 3.669 3.308 4.030 . 0 0 "[ . 1 .]" 1
992 1 41 PRO HA 1 44 GLN HG2 3.444 2.021 4.867 3.184 2.264 3.715 . 0 0 "[ . 1 .]" 1
993 1 41 PRO HA 1 44 GLN HG3 3.139 . 4.321 2.618 2.011 3.206 . 0 0 "[ . 1 .]" 1
994 1 40 SER HA 1 41 PRO HG2 3.407 2.014 4.800 4.055 3.907 4.196 . 0 0 "[ . 1 .]" 1
995 1 40 SER HA 1 41 PRO HG3 3.409 2.015 4.803 4.271 4.195 4.314 . 0 0 "[ . 1 .]" 1
996 1 30 TRP HZ3 1 59 PHE HB3 3.121 . 4.290 4.050 3.885 4.393 0.103 6 0 "[ . 1 .]" 1
997 1 30 TRP HZ3 1 59 PHE HB2 2.845 . 3.816 2.814 2.623 3.006 . 0 0 "[ . 1 .]" 1
998 1 30 TRP HA 1 30 TRP HZ3 3.255 . 4.526 4.623 4.585 4.679 0.153 9 0 "[ . 1 .]" 1
999 1 56 LYS HA 1 59 PHE HB3 3.068 . 4.198 2.410 2.264 2.943 . 0 0 "[ . 1 .]" 1
1000 1 56 LYS HA 1 59 PHE HB2 3.008 . 4.094 3.337 3.038 3.983 . 0 0 "[ . 1 .]" 1
1001 1 34 SER HA 1 36 LYS H 3.226 . 4.475 4.512 4.465 4.580 0.105 7 0 "[ . 1 .]" 1
1002 1 30 TRP HZ2 1 52 THR MG 2.624 . 3.450 1.886 1.763 2.491 0.035 14 0 "[ . 1 .]" 1
1003 1 30 TRP HZ2 1 52 THR HA 3.267 . 4.548 3.175 2.924 3.463 . 0 0 "[ . 1 .]" 1
1004 1 30 TRP HZ2 1 52 THR HB 3.009 . 4.095 3.903 2.972 4.155 0.060 1 0 "[ . 1 .]" 1
1005 1 47 VAL MG2 1 52 THR HA 2.585 . 3.387 2.466 2.250 2.660 . 0 0 "[ . 1 .]" 1
1006 1 47 VAL MG1 1 52 THR HA 2.553 . 3.335 2.428 2.111 2.708 . 0 0 "[ . 1 .]" 1
1007 1 47 VAL MG1 1 52 THR MG 2.535 . 3.306 2.362 1.722 3.121 0.042 5 0 "[ . 1 .]" 1
1008 1 47 VAL MG2 1 55 ALA MB 2.593 . 3.400 2.082 1.956 2.255 . 0 0 "[ . 1 .]" 1
1009 1 30 TRP HH2 1 52 THR MG 3.389 2.010 4.768 3.621 3.382 3.913 . 0 0 "[ . 1 .]" 1
1010 1 30 TRP HZ2 1 55 ALA MB 2.571 . 3.364 3.041 2.775 3.224 . 0 0 "[ . 1 .]" 1
1011 1 30 TRP HH2 1 55 ALA MB 2.469 . 3.200 2.367 2.137 2.705 . 0 0 "[ . 1 .]" 1
1012 1 15 TYR QD 1 46 TYR QE 3.241 . 4.501 4.053 3.502 4.371 . 0 0 "[ . 1 .]" 1
1013 1 19 VAL MG1 1 62 HIS H 3.194 . 4.418 4.102 3.804 4.363 . 0 0 "[ . 1 .]" 1
1014 1 19 VAL MG2 1 59 PHE HA 2.622 . 3.447 2.376 1.829 2.740 . 0 0 "[ . 1 .]" 1
1015 1 19 VAL MG1 1 59 PHE HA 2.928 . 3.957 2.550 2.160 3.343 . 0 0 "[ . 1 .]" 1
1016 1 19 VAL MG2 1 23 VAL HB 3.077 . 4.213 3.982 2.820 4.423 0.210 5 0 "[ . 1 .]" 1
1017 1 19 VAL MG1 1 23 VAL HB 3.042 . 4.152 2.634 2.109 3.934 . 0 0 "[ . 1 .]" 1
1018 1 19 VAL MG2 1 23 VAL MG2 2.629 . 3.458 3.140 2.176 3.511 0.053 5 0 "[ . 1 .]" 1
1019 1 19 VAL MG2 1 62 HIS HB3 2.889 . 3.890 3.774 3.238 4.204 0.314 15 0 "[ . 1 .]" 1
1020 1 19 VAL MG1 1 62 HIS HB3 3.192 . 4.415 2.276 1.928 2.922 0.041 4 0 "[ . 1 .]" 1
1021 1 19 VAL MG1 1 62 HIS HB2 2.278 . 2.901 2.720 2.263 2.985 0.084 7 0 "[ . 1 .]" 1
1022 1 63 ILE MD 1 64 HIS H 3.600 2.044 5.156 4.557 4.442 4.661 . 0 0 "[ . 1 .]" 1
1023 1 62 HIS HD1 1 66 LEU QD 2.382 . 3.063 2.058 1.853 2.290 0.007 7 0 "[ . 1 .]" 1
1024 1 62 HIS HE1 1 66 LEU QD 2.454 . 3.177 2.003 1.726 2.558 0.141 6 0 "[ . 1 .]" 1
1025 1 41 PRO HA 1 44 GLN H 2.825 . 3.783 3.515 3.288 3.763 . 0 0 "[ . 1 .]" 1
1026 1 63 ILE HA 1 66 LEU HG 2.785 . 3.716 3.229 2.968 3.791 0.075 15 0 "[ . 1 .]" 1
1027 1 19 VAL HA 1 23 VAL MG2 2.856 . 3.835 3.063 2.850 3.292 . 0 0 "[ . 1 .]" 1
1028 1 33 VAL HA 1 36 LYS HB2 2.781 . 3.709 2.511 2.287 2.676 . 0 0 "[ . 1 .]" 1
1029 1 33 VAL HA 1 36 LYS HB3 2.820 . 3.774 3.901 3.775 3.980 0.206 6 0 "[ . 1 .]" 1
1030 1 67 LYS QE 1 68 HIS HE1 2.613 . 3.432 2.109 1.812 2.281 . 0 0 "[ . 1 .]" 1
1031 1 22 ILE MG 1 33 VAL MG1 3.822 2.069 5.575 1.980 1.909 2.068 0.160 1 0 "[ . 1 .]" 1
1032 1 59 PHE QD 1 60 LEU H 2.730 . 3.624 3.091 2.934 3.257 . 0 0 "[ . 1 .]" 1
1033 1 14 LYS H 1 16 GLU H 3.248 . 4.514 4.014 3.788 4.188 . 0 0 "[ . 1 .]" 1
1034 1 30 TRP HD1 1 31 LEU H 3.046 . 4.160 3.400 3.258 3.540 . 0 0 "[ . 1 .]" 1
1035 1 32 SER H 1 33 VAL H 2.643 . 3.481 2.838 2.625 3.008 . 0 0 "[ . 1 .]" 1
1036 1 43 TYR QD 1 44 GLN HE21 3.154 . 4.348 3.152 1.596 4.461 0.364 8 0 "[ . 1 .]" 1
1037 1 26 HIS HE1 1 27 ASN QD 2.929 . 3.959 3.840 3.521 4.689 0.730 8 2 "[ . + 1 -.]" 1
1038 1 7 GLN HA 1 7 GLN HE21 3.258 . 4.531 4.107 3.509 4.619 0.088 5 0 "[ . 1 .]" 1
1039 1 7 GLN HE21 1 7 GLN HG3 2.776 . 3.701 2.627 2.234 3.460 . 0 0 "[ . 1 .]" 1
1040 1 7 GLN HE21 1 7 GLN HG2 2.969 . 4.027 2.609 2.132 2.908 . 0 0 "[ . 1 .]" 1
1041 1 7 GLN HE22 1 7 GLN HG3 2.859 . 3.840 3.644 3.471 4.000 0.160 7 0 "[ . 1 .]" 1
1042 1 7 GLN HE22 1 7 GLN HG2 2.756 . 3.667 3.631 3.405 3.761 0.094 13 0 "[ . 1 .]" 1
1043 1 20 SER H 1 22 ILE H 3.077 . 4.213 4.044 3.923 4.224 0.011 14 0 "[ . 1 .]" 1
1044 1 68 HIS H 1 69 GLU H 2.529 . 3.297 3.401 3.309 3.625 0.328 5 0 "[ . 1 .]" 1
1045 1 67 LYS H 1 68 HIS H 2.762 . 3.677 2.714 2.529 2.984 . 0 0 "[ . 1 .]" 1
1046 1 17 TRP HE3 1 18 LEU H 2.691 . 3.560 3.217 3.029 3.311 . 0 0 "[ . 1 .]" 1
1047 1 59 PHE QE 1 63 ILE MD 2.461 . 3.188 2.314 2.187 2.478 . 0 0 "[ . 1 .]" 1
1048 1 59 PHE QE 1 60 LEU MD1 2.974 . 4.036 3.819 3.613 3.974 . 0 0 "[ . 1 .]" 1
1049 1 59 PHE QD 1 60 LEU MD1 2.701 . 3.577 3.694 3.521 3.800 0.223 5 0 "[ . 1 .]" 1
1050 1 18 LEU HG 1 42 GLU H 3.373 2.008 4.738 4.195 3.647 4.683 . 0 0 "[ . 1 .]" 1
1051 1 18 LEU HG 1 40 SER HB2 3.654 2.052 5.256 3.973 3.665 4.303 . 0 0 "[ . 1 .]" 1
1052 1 18 LEU HG 1 40 SER HB3 3.632 2.049 5.215 4.121 3.820 4.456 . 0 0 "[ . 1 .]" 1
1053 1 18 LEU MD2 1 40 SER HB2 3.693 2.056 5.330 4.560 4.294 4.762 . 0 0 "[ . 1 .]" 1
1054 1 18 LEU MD1 1 40 SER HB3 3.066 . 4.194 2.190 1.896 2.518 0.042 11 0 "[ . 1 .]" 1
1055 1 18 LEU MD1 1 40 SER HB2 3.067 . 4.196 2.395 2.167 2.660 . 0 0 "[ . 1 .]" 1
1056 1 18 LEU HG 1 43 TYR H 2.906 . 3.919 2.886 2.740 3.104 . 0 0 "[ . 1 .]" 1
1057 1 42 GLU H 1 42 GLU HG2 2.987 . 4.058 2.977 1.934 3.981 . 0 0 "[ . 1 .]" 1
1058 1 42 GLU H 1 42 GLU HB3 3.012 . 4.101 3.573 3.530 3.615 . 0 0 "[ . 1 .]" 1
1059 1 42 GLU HA 1 42 GLU HG2 2.824 . 3.781 3.512 3.218 3.700 . 0 0 "[ . 1 .]" 1
1060 1 42 GLU HB2 1 42 GLU HG2 2.719 . 3.606 2.415 2.357 2.490 . 0 0 "[ . 1 .]" 1
1061 1 42 GLU HB3 1 42 GLU HG3 2.963 . 4.017 2.414 2.352 2.490 . 0 0 "[ . 1 .]" 1
1062 1 18 LEU HG 1 42 GLU HB3 2.643 . 3.482 2.553 2.006 3.490 0.008 13 0 "[ . 1 .]" 1
1063 1 18 LEU HG 1 42 GLU HB2 2.750 . 3.658 1.904 1.667 2.196 0.175 11 0 "[ . 1 .]" 1
1064 1 18 LEU HG 1 42 GLU HA 2.936 . 3.970 4.407 4.206 4.972 1.002 13 3 "[ - * 1 + .]" 1
1065 1 15 TYR HA 1 18 LEU HB2 3.272 . 4.556 2.021 1.927 2.112 0.061 3 0 "[ . 1 .]" 1
1066 1 15 TYR HA 1 18 LEU MD2 3.126 . 4.299 2.550 2.152 2.997 . 0 0 "[ . 1 .]" 1
1067 1 38 GLN HA 1 38 GLN HG3 3.050 . 4.167 3.688 3.638 3.783 . 0 0 "[ . 1 .]" 1
1068 1 38 GLN HA 1 38 GLN HG2 3.099 . 4.252 4.042 3.731 4.238 . 0 0 "[ . 1 .]" 1
1069 1 38 GLN HA 1 38 GLN HB3 2.533 . 3.303 2.451 2.335 2.532 . 0 0 "[ . 1 .]" 1
1070 1 38 GLN HB3 1 38 GLN HG3 2.528 . 3.295 2.757 2.537 3.007 . 0 0 "[ . 1 .]" 1
1071 1 38 GLN HB3 1 38 GLN HG2 2.468 . 3.199 2.341 2.249 2.483 . 0 0 "[ . 1 .]" 1
1072 1 30 TRP HE3 1 37 MET ME 2.883 . 3.880 3.355 2.921 3.969 0.089 10 0 "[ . 1 .]" 1
1073 1 30 TRP HZ3 1 37 MET ME 2.545 . 3.322 2.018 1.768 3.239 . 0 0 "[ . 1 .]" 1
1074 1 30 TRP HE1 1 56 LYS HB2 3.316 . 4.635 2.874 2.368 4.012 . 0 0 "[ . 1 .]" 1
1075 1 30 TRP HE1 1 56 LYS HD2 3.298 . 4.603 2.774 2.252 4.610 0.007 9 0 "[ . 1 .]" 1
1076 1 30 TRP HE1 1 56 LYS HB3 3.309 . 4.623 4.435 3.874 4.829 0.206 9 0 "[ . 1 .]" 1
1077 1 53 GLN HA 1 56 LYS HB2 2.862 . 3.845 3.059 2.038 3.682 . 0 0 "[ . 1 .]" 1
1078 1 53 GLN HA 1 56 LYS HB3 2.380 . 3.060 2.683 2.360 3.193 0.133 9 0 "[ . 1 .]" 1
1079 1 56 LYS HA 1 59 PHE QD 2.913 . 3.931 3.643 3.442 3.944 0.013 9 0 "[ . 1 .]" 1
1080 1 30 TRP HZ3 1 56 LYS HA 3.157 . 4.353 4.000 3.702 4.450 0.097 9 0 "[ . 1 .]" 1
1081 1 30 TRP HE3 1 56 LYS HA 3.364 2.006 4.722 3.637 3.353 4.101 . 0 0 "[ . 1 .]" 1
1082 1 47 VAL HA 1 52 THR HA 3.407 2.014 4.800 4.019 3.824 4.265 . 0 0 "[ . 1 .]" 1
1083 1 47 VAL HA 1 55 ALA MB 2.964 . 4.018 3.359 3.139 3.550 . 0 0 "[ . 1 .]" 1
1084 1 46 TYR HA 1 47 VAL HA 3.089 . 4.234 4.588 4.561 4.609 0.375 2 0 "[ . 1 .]" 1
1085 1 44 GLN HA 1 47 VAL MG2 3.146 . 4.333 3.880 2.948 4.220 . 0 0 "[ . 1 .]" 1
1086 1 44 GLN HA 1 47 VAL HB 3.059 . 4.182 3.028 2.232 3.361 . 0 0 "[ . 1 .]" 1
1087 1 55 ALA HA 1 58 LEU MD2 2.868 . 3.855 3.017 2.914 3.089 . 0 0 "[ . 1 .]" 1
1088 1 55 ALA HA 1 58 LEU HG 2.888 . 3.889 4.149 4.066 4.202 0.313 6 0 "[ . 1 .]" 1
1089 1 11 ALA MB 1 49 LEU MD1 2.947 . 3.989 2.321 2.112 2.879 . 0 0 "[ . 1 .]" 1
1090 1 47 VAL MG1 1 52 THR H 3.287 . 4.584 2.535 2.312 2.904 . 0 0 "[ . 1 .]" 1
1091 1 17 TRP HE1 1 21 ARG HG2 3.333 . 4.666 4.934 4.847 5.018 0.352 11 0 "[ . 1 .]" 1
1092 1 17 TRP HE1 1 21 ARG HG3 3.395 2.012 4.778 4.579 3.945 4.852 0.074 6 0 "[ . 1 .]" 1
1093 1 17 TRP HE1 1 21 ARG HD3 3.297 . 4.602 4.417 3.949 4.781 0.179 11 0 "[ . 1 .]" 1
1094 1 30 TRP HE1 1 31 LEU MD2 3.218 . 4.461 3.793 2.671 4.035 . 0 0 "[ . 1 .]" 1
1095 1 30 TRP HE1 1 31 LEU MD1 3.538 2.036 5.040 2.886 2.638 4.800 . 0 0 "[ . 1 .]" 1
1096 1 17 TRP HZ2 1 21 ARG HD3 3.115 . 4.279 3.575 3.214 3.979 . 0 0 "[ . 1 .]" 1
1097 1 17 TRP HZ2 1 21 ARG HD2 3.039 . 4.147 2.487 2.217 2.748 . 0 0 "[ . 1 .]" 1
1098 1 62 HIS HA 1 65 ARG HB2 2.597 . 3.407 2.237 2.015 2.413 . 0 0 "[ . 1 .]" 1
1099 1 62 HIS HA 1 65 ARG HB3 2.967 . 4.023 3.670 3.480 3.812 . 0 0 "[ . 1 .]" 1
1100 1 26 HIS HB2 1 63 ILE MG 2.418 . 3.120 1.574 1.503 1.788 0.213 4 0 "[ . 1 .]" 1
1101 1 26 HIS HB3 1 66 LEU QD 2.280 . 2.904 2.209 2.021 2.345 . 0 0 "[ . 1 .]" 1
1102 1 26 HIS HB2 1 66 LEU HB3 2.789 . 3.723 3.767 3.149 3.988 0.265 14 0 "[ . 1 .]" 1
1103 1 26 HIS HE1 1 67 LYS QB 3.017 . 4.109 3.447 2.719 4.045 . 0 0 "[ . 1 .]" 1
1104 1 26 HIS HE1 1 67 LYS QD 3.015 . 4.106 3.567 3.044 4.085 . 0 0 "[ . 1 .]" 1
1105 1 64 HIS HD1 1 65 ARG HA 2.509 . 3.265 2.263 2.141 2.621 . 0 0 "[ . 1 .]" 1
1106 1 29 ASN HA 1 59 PHE HZ 2.927 . 3.955 3.229 2.525 3.650 . 0 0 "[ . 1 .]" 1
1107 1 29 ASN HA 1 59 PHE QE 3.116 . 4.281 3.659 3.260 4.015 . 0 0 "[ . 1 .]" 1
1108 1 40 SER HB3 1 42 GLU H 2.788 . 3.721 3.056 2.750 3.378 . 0 0 "[ . 1 .]" 1
1109 1 40 SER HB2 1 42 GLU H 2.614 . 3.434 3.759 3.549 3.820 0.386 11 0 "[ . 1 .]" 1
1110 1 7 GLN HA 1 9 ALA H 2.880 . 3.876 3.817 3.499 3.941 0.065 6 0 "[ . 1 .]" 1
1111 1 6 GLN HA 1 9 ALA H 2.960 . 4.011 3.759 3.266 4.124 0.113 15 0 "[ . 1 .]" 1
1112 1 10 THR HA 1 13 ASP H 3.203 . 4.434 3.253 2.952 3.368 . 0 0 "[ . 1 .]" 1
1113 1 10 THR HA 1 13 ASP HB2 2.580 . 3.379 2.883 2.467 3.257 . 0 0 "[ . 1 .]" 1
1114 1 7 GLN HA 1 10 THR HB 3.265 . 4.544 4.473 3.877 4.668 0.124 6 0 "[ . 1 .]" 1
1115 1 11 ALA HA 1 14 LYS H 3.192 . 4.415 3.570 3.211 3.779 . 0 0 "[ . 1 .]" 1
1116 1 42 GLU HA 1 45 ASP HB3 3.131 . 4.307 3.431 2.864 4.191 . 0 0 "[ . 1 .]" 1
1117 1 11 ALA HA 1 14 LYS HB3 2.882 . 3.879 3.258 2.827 3.935 0.056 4 0 "[ . 1 .]" 1
1118 1 14 LYS HB3 1 15 TYR H 3.122 . 4.292 2.626 2.334 2.814 . 0 0 "[ . 1 .]" 1
1119 1 16 GLU QG 1 58 LEU MD1 . . 2.941 1.977 1.771 2.312 0.134 9 0 "[ . 1 .]" 1
1120 1 16 GLU QG 1 58 LEU MD2 3.290 . 4.589 2.048 1.837 2.404 0.154 11 0 "[ . 1 .]" 1
1121 1 16 GLU HA 1 58 LEU MD2 3.267 . 4.548 3.599 3.328 3.797 . 0 0 "[ . 1 .]" 1
1122 1 16 GLU HA 1 58 LEU MD1 3.577 2.042 5.112 3.620 3.245 3.813 . 0 0 "[ . 1 .]" 1
1123 1 13 ASP HA 1 16 GLU HB3 2.844 . 3.815 3.840 3.723 4.047 0.232 5 0 "[ . 1 .]" 1
1124 1 14 LYS HA 1 17 TRP HE3 2.808 . 3.754 3.254 2.744 3.631 . 0 0 "[ . 1 .]" 1
1125 1 17 TRP HE3 1 18 LEU HA 2.797 . 3.736 3.909 3.840 3.952 0.216 4 0 "[ . 1 .]" 1
1126 1 17 TRP HD1 1 18 LEU HA 3.210 . 4.446 5.044 4.902 5.219 0.773 10 8 "[- * .** *+** .]" 1
1127 1 17 TRP HZ3 1 18 LEU HA 3.334 . 4.668 4.734 4.635 4.815 0.147 4 0 "[ . 1 .]" 1
1128 1 19 VAL HA 1 23 VAL H 3.095 . 4.245 3.254 3.080 3.576 . 0 0 "[ . 1 .]" 1
1129 1 20 SER HA 1 20 SER HB2 2.133 . 2.679 2.428 2.360 2.526 . 0 0 "[ . 1 .]" 1
1130 1 52 THR HA 1 52 THR HB 2.453 . 3.175 2.919 2.656 3.015 . 0 0 "[ . 1 .]" 1
1131 1 18 LEU HA 1 21 ARG HG2 3.004 . 4.087 2.645 2.325 3.282 . 0 0 "[ . 1 .]" 1
1132 1 18 LEU HA 1 21 ARG HG3 2.849 . 3.823 4.071 3.914 4.291 0.468 15 0 "[ . 1 .]" 1
1133 1 31 LEU HA 1 34 SER HB2 2.963 . 4.017 3.254 2.541 4.214 0.197 1 0 "[ . 1 .]" 1
1134 1 33 VAL HA 1 36 LYS HG2 2.976 . 4.038 3.710 2.716 4.126 0.088 4 0 "[ . 1 .]" 1
1135 1 33 VAL HA 1 36 LYS HG3 2.786 . 3.718 2.458 2.047 3.121 . 0 0 "[ . 1 .]" 1
1136 1 34 SER HA 1 37 MET HB2 2.916 . 3.936 2.039 1.805 2.386 0.091 1 0 "[ . 1 .]" 1
1137 1 34 SER HA 1 37 MET HB3 2.498 . 3.247 3.406 3.353 3.470 0.223 3 0 "[ . 1 .]" 1
1138 1 35 ARG HA 1 38 GLN HG2 3.078 . 4.215 2.819 2.493 3.247 . 0 0 "[ . 1 .]" 1
1139 1 35 ARG HA 1 38 GLN HG3 3.122 . 4.292 3.694 2.926 4.284 . 0 0 "[ . 1 .]" 1
1140 1 54 LYS HA 1 57 LYS HB2 1.997 . 2.476 2.366 1.710 2.911 0.435 12 0 "[ . 1 .]" 1
1141 1 55 ALA HA 1 58 LEU HB2 3.320 . 4.642 2.715 2.509 3.015 . 0 0 "[ . 1 .]" 1
1142 1 55 ALA HA 1 58 LEU HB3 2.721 . 3.609 2.302 2.231 2.375 . 0 0 "[ . 1 .]" 1
1143 1 57 LYS HA 1 60 LEU HB2 2.425 . 3.131 2.302 2.126 2.406 . 0 0 "[ . 1 .]" 1
1144 1 57 LYS HA 1 60 LEU HB3 2.837 . 3.803 3.819 3.675 3.897 0.094 14 0 "[ . 1 .]" 1
1145 1 57 LYS HA 1 60 LEU HG 2.403 . 3.096 3.196 3.160 3.244 0.148 2 0 "[ . 1 .]" 1
1146 1 57 LYS HA 1 60 LEU MD2 3.015 . 4.106 2.659 2.390 2.835 . 0 0 "[ . 1 .]" 1
1147 1 60 LEU HA 1 63 ILE HB 2.638 . 3.473 2.453 2.334 2.578 . 0 0 "[ . 1 .]" 1
1148 1 63 ILE H 1 63 ILE QG 2.832 . 3.779 2.247 2.141 2.325 . 0 0 "[ . 1 .]" 1
1149 1 63 ILE HA 1 63 ILE QG 2.456 . 3.180 2.783 2.579 2.928 . 0 0 "[ . 1 .]" 1
1150 1 63 ILE MD 1 63 ILE QG 2.145 . 2.697 1.878 1.876 1.880 . 0 0 "[ . 1 .]" 1
1151 1 60 LEU HA 1 63 ILE QG 2.405 . 3.099 2.627 2.470 2.819 . 0 0 "[ . 1 .]" 1
1152 1 65 ARG HB2 1 65 ARG QD 2.747 . 3.428 2.505 2.038 3.405 . 0 0 "[ . 1 .]" 1
1153 1 65 ARG HA 1 65 ARG HB2 2.243 . 2.847 2.922 2.903 2.950 0.103 12 0 "[ . 1 .]" 1
1154 1 63 ILE HA 1 66 LEU H 3.645 2.051 5.239 3.619 3.521 3.805 . 0 0 "[ . 1 .]" 1
1155 1 28 GLU HG2 1 33 VAL MG1 3.358 2.005 4.711 3.653 2.218 4.829 0.118 8 0 "[ . 1 .]" 1
1156 1 28 GLU HG3 1 33 VAL MG1 3.056 . 4.177 2.971 2.161 4.394 0.217 2 0 "[ . 1 .]" 1
1157 1 9 ALA HA 1 12 LYS HB2 3.195 . 4.420 4.255 3.534 4.477 0.057 6 0 "[ . 1 .]" 1
1158 1 9 ALA HA 1 12 LYS HB3 3.191 . 4.413 3.172 2.746 3.474 . 0 0 "[ . 1 .]" 1
1159 1 32 SER HB3 1 33 VAL HA 5.009 . 8.020 4.661 4.127 5.606 . 0 0 "[ . 1 .]" 1
1160 1 32 SER HB2 1 33 VAL HA 2.972 . 4.032 4.294 4.099 4.695 0.663 11 4 "[ .* *+ -.]" 1
1161 1 32 SER HA 1 33 VAL HA 3.526 2.034 5.018 4.674 4.606 4.745 . 0 0 "[ . 1 .]" 1
1162 1 18 LEU HG 1 42 GLU HG2 3.007 . 4.092 3.724 3.251 4.247 0.155 5 0 "[ . 1 .]" 1
1163 1 18 LEU HG 1 42 GLU HG3 3.237 . 4.494 4.114 3.641 4.357 . 0 0 "[ . 1 .]" 1
1164 1 48 TYR QD 1 49 LEU HA 2.785 . 3.716 3.410 3.237 3.618 . 0 0 "[ . 1 .]" 1
1165 1 65 ARG HA 1 68 HIS HD1 3.255 . 4.526 3.993 3.818 4.194 . 0 0 "[ . 1 .]" 1
1166 1 19 VAL HA 1 21 ARG H 3.028 . 4.129 4.002 3.880 4.082 . 0 0 "[ . 1 .]" 1
1167 1 59 PHE QD 1 60 LEU HA 2.981 . 4.047 3.648 3.489 3.844 . 0 0 "[ . 1 .]" 1
1168 1 64 HIS HD1 1 65 ARG HB2 2.937 . 3.972 4.248 4.097 4.511 0.539 13 1 "[ . 1 + .]" 1
1169 1 64 HIS HD1 1 65 ARG HG2 2.937 . 3.972 3.317 2.795 4.052 0.080 13 0 "[ . 1 .]" 1
1170 1 64 HIS HD1 1 65 ARG HG3 3.058 . 4.180 3.285 2.610 4.296 0.116 2 0 "[ . 1 .]" 1
1171 1 64 HIS HD1 1 65 ARG HB3 3.308 . 4.621 4.345 4.069 4.855 0.234 13 0 "[ . 1 .]" 1
1172 1 64 HIS HD1 1 69 GLU HA 2.695 . 3.567 3.313 2.749 3.598 0.031 6 0 "[ . 1 .]" 1
1173 1 64 HIS HD1 1 67 LYS QE 3.311 . 4.627 4.408 4.206 4.552 . 0 0 "[ . 1 .]" 1
1174 1 64 HIS HD1 1 69 GLU HG3 3.263 . 4.541 4.316 3.558 5.054 0.513 10 1 "[ . + .]" 1
1175 1 26 HIS HD1 1 66 LEU HB2 3.160 . 4.358 3.080 2.714 3.619 . 0 0 "[ . 1 .]" 1
1176 1 14 LYS HG3 1 17 TRP HE3 2.971 . 4.030 2.690 2.226 3.321 . 0 0 "[ . 1 .]" 1
1177 1 14 LYS HG3 1 17 TRP HZ3 2.640 . 3.477 3.587 3.061 4.146 0.669 15 2 "[ - . 1 +]" 1
1178 1 23 VAL H 1 33 VAL HB 3.230 . 4.482 5.345 4.608 6.837 2.355 7 6 "[ - *. +**1 *.]" 1
1179 1 62 HIS H 1 63 ILE H 2.625 . 3.452 2.738 2.548 2.883 . 0 0 "[ . 1 .]" 1
1180 1 62 HIS HD1 1 63 ILE H 3.397 2.013 4.781 4.215 4.052 4.491 . 0 0 "[ . 1 .]" 1
1181 1 67 LYS QB 1 68 HIS H 2.965 . 4.020 2.388 2.096 2.584 . 0 0 "[ . 1 .]" 1
1182 1 67 LYS HG2 1 68 HIS H 3.327 . 4.656 4.569 4.355 4.747 0.091 14 0 "[ . 1 .]" 1
1183 1 67 LYS HG3 1 68 HIS H 3.501 2.030 4.972 3.825 3.380 4.323 . 0 0 "[ . 1 .]" 1
1184 1 30 TRP HD1 1 31 LEU HG 2.992 . 4.066 4.193 2.524 4.365 0.299 6 0 "[ . 1 .]" 1
1185 1 62 HIS HA 1 64 HIS H 3.012 . 4.100 4.218 4.148 4.264 0.164 1 0 "[ . 1 .]" 1
1186 1 44 GLN HE22 1 44 GLN HG3 2.901 . 3.911 3.834 3.499 4.073 0.162 15 0 "[ . 1 .]" 1
1187 1 17 TRP HE3 1 21 ARG QB 3.241 . 4.501 4.543 4.298 4.698 0.197 8 0 "[ . 1 .]" 1
1188 1 17 TRP HZ3 1 18 LEU MD2 2.770 . 3.691 2.400 2.323 2.459 . 0 0 "[ . 1 .]" 1
1189 1 17 TRP HH2 1 18 LEU MD2 3.253 . 4.523 3.794 3.567 3.961 . 0 0 "[ . 1 .]" 1
1190 1 17 TRP HE3 1 18 LEU MD2 2.817 . 3.769 2.078 1.843 2.203 0.022 2 0 "[ . 1 .]" 1
1191 1 64 HIS HE1 1 68 HIS HD1 2.560 . 3.346 3.615 3.514 3.718 0.372 10 0 "[ . 1 .]" 1
1192 1 37 MET HG3 1 43 TYR QD 3.304 . 4.614 4.825 4.664 5.342 0.728 9 1 "[ . +1 .]" 1
1193 1 37 MET HB2 1 43 TYR QD 3.090 . 4.236 3.430 2.977 3.835 . 0 0 "[ . 1 .]" 1
1194 1 37 MET HB3 1 43 TYR QD 3.019 . 4.113 2.570 2.007 2.910 . 0 0 "[ . 1 .]" 1
1195 1 22 ILE H 1 23 VAL HB 3.128 . 4.302 4.440 4.384 4.522 0.220 11 0 "[ . 1 .]" 1
1196 1 28 GLU HB3 1 59 PHE HZ 3.195 . 4.420 3.668 3.299 4.001 . 0 0 "[ . 1 .]" 1
1197 1 28 GLU HB2 1 59 PHE HZ 2.859 . 3.840 2.869 2.361 3.833 . 0 0 "[ . 1 .]" 1
1198 1 28 GLU HB3 1 59 PHE QE 3.482 2.027 4.937 3.563 3.078 3.791 . 0 0 "[ . 1 .]" 1
1199 1 28 GLU HB2 1 59 PHE QE 3.090 . 4.236 2.665 2.457 2.845 . 0 0 "[ . 1 .]" 1
1200 1 62 HIS HD1 1 63 ILE HA 2.976 . 4.038 4.124 4.052 4.202 0.164 13 0 "[ . 1 .]" 1
1201 1 62 HIS HD1 1 63 ILE QG 3.059 . 4.182 4.561 4.103 4.927 0.745 12 5 "[ *.-* 1 + *]" 1
1202 1 20 SER HB3 1 62 HIS HD1 3.362 2.006 4.718 4.251 3.985 4.553 . 0 0 "[ . 1 .]" 1
1203 1 26 HIS H 1 26 HIS HD1 3.345 2.002 4.688 4.888 4.808 4.990 0.302 8 0 "[ . 1 .]" 1
1204 1 19 VAL MG2 1 23 VAL H 3.338 2.001 4.675 4.466 3.648 4.795 0.120 7 0 "[ . 1 .]" 1
1205 1 19 VAL MG1 1 23 VAL H 3.472 2.026 4.918 3.803 3.381 4.748 . 0 0 "[ . 1 .]" 1
1206 1 23 VAL MG2 1 28 GLU HG3 3.023 . 4.119 2.679 1.729 4.169 0.198 7 0 "[ . 1 .]" 1
1207 1 23 VAL MG2 1 28 GLU HB3 2.959 . 4.010 3.022 2.464 3.389 . 0 0 "[ . 1 .]" 1
1208 1 28 GLU HB3 1 33 VAL MG2 3.246 . 4.511 2.321 1.515 3.221 0.466 7 0 "[ . 1 .]" 1
1209 1 28 GLU HB2 1 33 VAL MG2 2.379 . 3.058 3.052 2.720 3.684 0.626 11 1 "[ . 1+ .]" 1
1210 1 30 TRP HE3 1 59 PHE QE 3.073 . 4.206 4.132 4.002 4.257 0.051 11 0 "[ . 1 .]" 1
1211 1 30 TRP HA 1 30 TRP HB2 2.864 . 3.848 2.304 2.295 2.314 . 0 0 "[ . 1 .]" 1
1212 1 64 HIS HA 1 68 HIS HE1 2.753 . 3.663 2.872 2.640 3.143 . 0 0 "[ . 1 .]" 1
1213 1 64 HIS HD1 1 68 HIS HD1 2.616 . 3.437 3.154 3.038 3.317 . 0 0 "[ . 1 .]" 1
1214 1 27 ASN H 1 27 ASN QD 3.375 2.008 4.742 2.961 2.760 3.362 . 0 0 "[ . 1 .]" 1
1215 1 25 ASN HB2 1 26 HIS H 3.356 2.004 4.708 4.319 3.851 4.493 . 0 0 "[ . 1 .]" 1
1216 1 22 ILE MD 1 37 MET HG2 2.501 . 3.252 3.377 3.258 3.546 0.294 1 0 "[ . 1 .]" 1
1217 1 22 ILE MD 1 37 MET HG3 2.804 . 3.747 3.373 2.922 3.853 0.106 4 0 "[ . 1 .]" 1
1218 1 56 LYS HE3 1 60 LEU MD2 3.276 . 4.564 3.856 3.513 4.542 . 0 0 "[ . 1 .]" 1
1219 1 12 LYS HE2 1 58 LEU MD2 2.479 . 3.217 2.171 1.759 3.472 0.255 4 0 "[ . 1 .]" 1
1220 1 12 LYS HE3 1 58 LEU MD2 2.635 . 3.468 3.108 1.960 3.497 0.029 9 0 "[ . 1 .]" 1
1221 1 12 LYS HE3 1 58 LEU MD1 2.749 . 3.656 3.512 2.380 3.813 0.157 3 0 "[ . 1 .]" 1
1222 1 12 LYS HD3 1 12 LYS HE2 2.867 . 3.854 2.889 2.409 3.011 . 0 0 "[ . 1 .]" 1
1223 1 7 GLN HG3 1 49 LEU MD2 2.807 . 3.753 3.598 2.487 4.134 0.381 11 0 "[ . 1 .]" 1
1224 1 38 GLN HG3 1 39 ALA MB 3.359 2.005 4.713 3.496 2.991 3.954 . 0 0 "[ . 1 .]" 1
1225 1 38 GLN HG2 1 39 ALA MB 3.388 2.011 4.765 4.472 3.828 4.852 0.087 15 0 "[ . 1 .]" 1
1226 1 11 ALA MB 1 45 ASP HB2 3.369 2.007 4.731 4.529 3.870 4.842 0.111 1 0 "[ . 1 .]" 1
1227 1 64 HIS HA 1 67 LYS QD 2.766 . 3.684 3.300 2.995 3.541 . 0 0 "[ . 1 .]" 1
1228 1 26 HIS HD1 1 66 LEU HB3 2.839 . 3.806 2.807 1.937 3.137 . 0 0 "[ . 1 .]" 1
1229 1 67 LYS QE 1 68 HIS HD1 3.255 . 4.526 3.125 2.954 3.292 . 0 0 "[ . 1 .]" 1
1230 1 22 ILE MD 1 37 MET HA 3.040 . 4.149 3.365 2.751 3.703 . 0 0 "[ . 1 .]" 1
1231 1 67 LYS QE 1 67 LYS HG3 2.556 . 3.340 2.401 2.143 2.670 . 0 0 "[ . 1 .]" 1
1232 1 67 LYS QE 1 67 LYS HG2 2.784 . 3.714 3.232 3.130 3.279 . 0 0 "[ . 1 .]" 1
1233 1 26 HIS HE1 1 67 LYS HG2 3.087 . 4.230 2.699 2.162 3.044 . 0 0 "[ . 1 .]" 1
1234 1 47 VAL MG1 1 51 GLY H 3.030 . 4.132 3.690 3.500 3.924 . 0 0 "[ . 1 .]" 1
1235 1 47 VAL MG2 1 51 GLY H 3.275 . 4.562 3.922 3.728 4.051 . 0 0 "[ . 1 .]" 1
1236 1 43 TYR QE 1 44 GLN HE21 3.331 . 4.663 3.773 2.210 4.896 0.233 11 0 "[ . 1 .]" 1
1237 1 6 GLN H 1 6 GLN HG3 3.495 2.029 4.961 3.345 2.246 4.572 . 0 0 "[ . 1 .]" 1
1238 1 6 GLN H 1 6 GLN HB3 2.720 . 3.608 3.161 2.469 3.994 0.386 10 0 "[ . 1 .]" 1
1239 1 6 GLN HA 1 6 GLN HB3 2.296 . 2.928 2.560 2.370 3.017 0.089 14 0 "[ . 1 .]" 1
1240 1 6 GLN HA 1 6 GLN HG3 3.134 . 4.313 3.398 2.528 4.269 . 0 0 "[ . 1 .]" 1
1241 1 7 GLN HA 1 7 GLN HG3 2.621 . 3.445 2.875 2.283 3.576 0.131 6 0 "[ . 1 .]" 1
1242 1 7 GLN HA 1 7 GLN HG2 2.718 . 3.605 3.548 2.329 3.683 0.078 5 0 "[ . 1 .]" 1
1243 1 7 GLN HA 1 7 GLN HB3 2.247 . 2.853 2.984 2.793 3.016 0.163 8 0 "[ . 1 .]" 1
1244 1 7 GLN HB3 1 7 GLN HG2 2.092 . 2.617 2.425 2.333 2.939 0.322 6 0 "[ . 1 .]" 1
1245 1 5 SER HB3 1 8 ILE MD 3.356 2.004 4.708 3.347 2.082 4.754 0.046 14 0 "[ . 1 .]" 1
1246 1 5 SER HA 1 8 ILE MD 3.305 . 4.615 3.361 1.972 4.671 0.056 6 0 "[ . 1 .]" 1
1247 1 10 THR MG 1 13 ASP HB2 3.071 . 4.202 4.196 3.525 4.374 0.172 11 0 "[ . 1 .]" 1
1248 1 68 HIS HA 1 69 GLU HA 3.222 . 4.467 4.411 4.342 4.474 0.007 10 0 "[ . 1 .]" 1
1249 1 26 HIS HD1 1 67 LYS HG2 2.934 . 3.967 2.025 1.646 2.313 0.255 8 0 "[ . 1 .]" 1
1250 1 53 GLN H 1 54 LYS H 2.939 . 3.976 2.629 2.461 2.793 . 0 0 "[ . 1 .]" 1
1251 1 52 THR H 1 53 GLN H 3.139 . 4.322 2.559 2.432 2.748 . 0 0 "[ . 1 .]" 1
1252 1 49 LEU MD2 1 50 GLU HG2 4.422 2.076 6.768 5.246 4.322 7.477 0.709 5 1 "[ + 1 .]" 1
1253 1 24 LYS HA 1 24 LYS HG3 2.549 . 3.329 3.095 2.521 3.792 0.463 4 0 "[ . 1 .]" 1
1254 1 24 LYS HE3 1 24 LYS HG3 2.749 . 3.656 2.766 2.235 3.683 0.027 8 0 "[ . 1 .]" 1
1255 1 24 LYS HG3 1 25 ASN H 3.108 . 4.267 3.964 2.964 4.461 0.194 4 0 "[ . 1 .]" 1
1256 1 28 GLU H 1 63 ILE MD 3.135 . 4.314 3.412 3.199 3.736 . 0 0 "[ . 1 .]" 1
1257 1 27 ASN H 1 63 ILE MD 3.321 . 4.645 4.298 4.178 4.391 . 0 0 "[ . 1 .]" 1
1258 1 46 TYR QE 1 55 ALA H 3.391 2.011 4.771 3.267 2.913 3.881 . 0 0 "[ . 1 .]" 1
1259 1 23 VAL H 1 62 HIS HD1 3.451 2.022 4.880 5.049 4.936 5.149 0.269 12 0 "[ . 1 .]" 1
1260 1 26 HIS HB3 1 63 ILE HA 3.236 . 4.492 2.979 2.808 3.139 . 0 0 "[ . 1 .]" 1
1261 1 26 HIS HD1 1 66 LEU HA 3.248 . 4.514 4.624 4.523 4.728 0.214 1 0 "[ . 1 .]" 1
1262 1 26 HIS HE1 1 67 LYS HG3 3.344 2.002 4.686 4.375 3.895 4.758 0.072 13 0 "[ . 1 .]" 1
1263 1 10 THR H 1 13 ASP HB3 3.236 . 4.492 4.664 4.524 5.035 0.543 10 1 "[ . + .]" 1
1264 1 64 HIS HB2 1 68 HIS HD1 3.326 . 4.653 4.764 4.604 4.903 0.250 4 0 "[ . 1 .]" 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 70
_Distance_constraint_stats_list.Viol_count 131
_Distance_constraint_stats_list.Viol_total 105.453
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0222
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0537
_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 9 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 10 THR 0.000 0.000 . 0 "[ . 1 .]"
1 11 ALA 0.022 0.022 6 0 "[ . 1 .]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 13 ASP 1.152 0.146 3 0 "[ . 1 .]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 15 TYR 0.022 0.022 6 0 "[ . 1 .]"
1 16 GLU 1.672 0.136 10 0 "[ . 1 .]"
1 17 TRP 2.051 0.146 3 0 "[ . 1 .]"
1 18 LEU 1.163 0.164 11 0 "[ . 1 .]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 20 SER 1.672 0.136 10 0 "[ . 1 .]"
1 21 ARG 0.900 0.138 2 0 "[ . 1 .]"
1 22 ILE 1.163 0.164 11 0 "[ . 1 .]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 30 TRP 0.000 0.000 . 0 "[ . 1 .]"
1 31 LEU 0.031 0.016 9 0 "[ . 1 .]"
1 32 SER 0.063 0.032 7 0 "[ . 1 .]"
1 33 VAL 0.014 0.014 9 0 "[ . 1 .]"
1 34 SER 0.000 0.000 . 0 "[ . 1 .]"
1 35 ARG 0.031 0.016 9 0 "[ . 1 .]"
1 36 LYS 0.063 0.032 7 0 "[ . 1 .]"
1 37 MET 0.014 0.014 9 0 "[ . 1 .]"
1 38 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 40 SER 1.119 0.100 3 0 "[ . 1 .]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 42 GLU 0.748 0.074 4 0 "[ . 1 .]"
1 43 TYR 0.056 0.030 13 0 "[ . 1 .]"
1 44 GLN 1.119 0.100 3 0 "[ . 1 .]"
1 45 ASP 0.034 0.029 8 0 "[ . 1 .]"
1 46 TYR 0.748 0.074 4 0 "[ . 1 .]"
1 47 VAL 0.056 0.030 13 0 "[ . 1 .]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 .]"
1 49 LEU 0.034 0.029 8 0 "[ . 1 .]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 52 THR 0.000 0.000 . 0 "[ . 1 .]"
1 53 GLN 0.031 0.026 9 0 "[ . 1 .]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 56 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 57 LYS 0.031 0.026 9 0 "[ . 1 .]"
1 58 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 59 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 61 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 63 ILE 0.026 0.026 15 0 "[ . 1 .]"
1 64 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 65 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 67 LYS 0.026 0.026 15 0 "[ . 1 .]"
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 9 ALA O 1 13 ASP N 2.850 2.550 3.150 2.711 2.584 2.956 . 0 0 "[ . 1 .]" 2
2 1 9 ALA O 1 13 ASP H 1.900 . 2.200 1.760 1.628 1.980 . 0 0 "[ . 1 .]" 2
3 1 10 THR O 1 14 LYS N 2.850 2.550 3.150 2.748 2.682 2.811 . 0 0 "[ . 1 .]" 2
4 1 10 THR O 1 14 LYS H 1.900 . 2.200 1.804 1.713 1.887 . 0 0 "[ . 1 .]" 2
5 1 11 ALA O 1 15 TYR N 2.850 2.550 3.150 2.857 2.695 3.140 . 0 0 "[ . 1 .]" 2
6 1 11 ALA O 1 15 TYR H 1.900 . 2.200 1.934 1.784 2.222 0.022 6 0 "[ . 1 .]" 2
7 1 12 LYS O 1 16 GLU N 2.850 2.550 3.150 2.630 2.550 2.729 . 0 0 "[ . 1 .]" 2
8 1 12 LYS O 1 16 GLU H 1.900 . 2.200 1.704 1.608 1.817 . 0 0 "[ . 1 .]" 2
9 1 13 ASP O 1 17 TRP N 2.850 2.550 3.150 3.103 3.019 3.192 0.042 3 0 "[ . 1 .]" 2
10 1 13 ASP O 1 17 TRP H 1.900 . 2.200 2.268 2.152 2.346 0.146 3 0 "[ . 1 .]" 2
11 1 14 LYS O 1 18 LEU N 2.850 2.550 3.150 2.763 2.615 2.865 . 0 0 "[ . 1 .]" 2
12 1 14 LYS O 1 18 LEU H 1.900 . 2.200 1.851 1.714 2.008 . 0 0 "[ . 1 .]" 2
13 1 15 TYR O 1 19 VAL N 2.850 2.550 3.150 2.838 2.706 2.959 . 0 0 "[ . 1 .]" 2
14 1 15 TYR O 1 19 VAL H 1.900 . 2.200 1.870 1.729 1.993 . 0 0 "[ . 1 .]" 2
15 1 16 GLU O 1 20 SER N 2.850 2.550 3.150 3.176 3.074 3.247 0.097 14 0 "[ . 1 .]" 2
16 1 16 GLU O 1 20 SER H 1.900 . 2.200 2.275 2.200 2.336 0.136 10 0 "[ . 1 .]" 2
17 1 17 TRP O 1 21 ARG N 2.850 2.550 3.150 2.491 2.412 2.536 0.138 2 0 "[ . 1 .]" 2
18 1 17 TRP O 1 21 ARG H 1.900 . 2.200 1.738 1.592 1.817 0.008 15 0 "[ . 1 .]" 2
19 1 18 LEU O 1 22 ILE N 2.850 2.550 3.150 3.003 2.795 3.102 . 0 0 "[ . 1 .]" 2
20 1 18 LEU O 1 22 ILE H 1.900 . 2.200 2.255 1.944 2.364 0.164 11 0 "[ . 1 .]" 2
21 1 19 VAL O 1 23 VAL N 2.850 2.550 3.150 2.641 2.562 2.846 . 0 0 "[ . 1 .]" 2
22 1 19 VAL O 1 23 VAL H 1.900 . 2.200 1.922 1.740 2.140 . 0 0 "[ . 1 .]" 2
23 1 30 TRP O 1 34 SER N 2.850 2.550 3.150 2.695 2.603 2.759 . 0 0 "[ . 1 .]" 2
24 1 30 TRP O 1 34 SER H 1.900 . 2.200 1.845 1.678 1.990 . 0 0 "[ . 1 .]" 2
25 1 31 LEU O 1 35 ARG N 2.850 2.550 3.150 2.896 2.657 3.088 . 0 0 "[ . 1 .]" 2
26 1 31 LEU O 1 35 ARG H 1.900 . 2.200 2.030 1.783 2.216 0.016 9 0 "[ . 1 .]" 2
27 1 32 SER O 1 36 LYS N 2.850 2.550 3.150 3.076 2.851 3.182 0.032 7 0 "[ . 1 .]" 2
28 1 32 SER O 1 36 LYS H 1.900 . 2.200 2.099 1.884 2.208 0.008 7 0 "[ . 1 .]" 2
29 1 33 VAL O 1 37 MET N 2.850 2.550 3.150 2.638 2.560 2.749 . 0 0 "[ . 1 .]" 2
30 1 33 VAL O 1 37 MET H 1.900 . 2.200 1.685 1.586 1.808 0.014 9 0 "[ . 1 .]" 2
31 1 34 SER O 1 38 GLN N 2.850 2.550 3.150 2.711 2.613 2.926 . 0 0 "[ . 1 .]" 2
32 1 34 SER O 1 38 GLN H 1.900 . 2.200 1.928 1.774 2.098 . 0 0 "[ . 1 .]" 2
33 1 40 SER O 1 44 GLN N 2.850 2.550 3.150 3.168 2.879 3.250 0.100 3 0 "[ . 1 .]" 2
34 1 40 SER O 1 44 GLN H 1.900 . 2.200 2.200 1.900 2.296 0.096 3 0 "[ . 1 .]" 2
35 1 41 PRO O 1 45 ASP N 2.850 2.550 3.150 2.746 2.649 2.949 . 0 0 "[ . 1 .]" 2
36 1 41 PRO O 1 45 ASP H 1.900 . 2.200 1.790 1.689 2.046 . 0 0 "[ . 1 .]" 2
37 1 42 GLU O 1 46 TYR N 2.850 2.550 3.150 3.138 2.883 3.214 0.064 15 0 "[ . 1 .]" 2
38 1 42 GLU O 1 46 TYR H 1.900 . 2.200 2.184 1.934 2.274 0.074 4 0 "[ . 1 .]" 2
39 1 43 TYR O 1 47 VAL N 2.850 2.550 3.150 3.030 2.867 3.133 . 0 0 "[ . 1 .]" 2
40 1 43 TYR O 1 47 VAL H 1.900 . 2.200 2.118 1.939 2.230 0.030 13 0 "[ . 1 .]" 2
41 1 44 GLN O 1 48 TYR N 2.850 2.550 3.150 2.729 2.634 2.830 . 0 0 "[ . 1 .]" 2
42 1 44 GLN O 1 48 TYR H 1.900 . 2.200 1.929 1.799 2.077 . 0 0 "[ . 1 .]" 2
43 1 45 ASP O 1 49 LEU N 2.850 2.550 3.150 2.979 2.844 3.179 0.029 8 0 "[ . 1 .]" 2
44 1 45 ASP O 1 49 LEU H 1.900 . 2.200 2.004 1.859 2.206 0.006 8 0 "[ . 1 .]" 2
45 1 46 TYR O 1 50 GLU N 2.850 2.550 3.150 2.870 2.790 3.014 . 0 0 "[ . 1 .]" 2
46 1 46 TYR O 1 50 GLU H 1.900 . 2.200 1.956 1.867 2.092 . 0 0 "[ . 1 .]" 2
47 1 52 THR O 1 56 LYS N 2.850 2.550 3.150 2.738 2.633 2.820 . 0 0 "[ . 1 .]" 2
48 1 52 THR O 1 56 LYS H 1.900 . 2.200 1.881 1.714 2.109 . 0 0 "[ . 1 .]" 2
49 1 53 GLN O 1 57 LYS N 2.850 2.550 3.150 2.801 2.584 3.176 0.026 9 0 "[ . 1 .]" 2
50 1 53 GLN O 1 57 LYS H 1.900 . 2.200 1.825 1.607 2.205 0.005 9 0 "[ . 1 .]" 2
51 1 54 LYS O 1 58 LEU N 2.850 2.550 3.150 2.693 2.600 2.801 . 0 0 "[ . 1 .]" 2
52 1 54 LYS O 1 58 LEU H 1.900 . 2.200 1.846 1.773 1.984 . 0 0 "[ . 1 .]" 2
53 1 55 ALA O 1 59 PHE N 2.850 2.550 3.150 2.740 2.661 2.857 . 0 0 "[ . 1 .]" 2
54 1 55 ALA O 1 59 PHE H 1.900 . 2.200 1.789 1.702 1.919 . 0 0 "[ . 1 .]" 2
55 1 56 LYS O 1 60 LEU N 2.850 2.550 3.150 2.769 2.644 2.917 . 0 0 "[ . 1 .]" 2
56 1 56 LYS O 1 60 LEU H 1.900 . 2.200 1.809 1.672 1.969 . 0 0 "[ . 1 .]" 2
57 1 57 LYS O 1 61 GLN N 2.850 2.550 3.150 2.881 2.731 2.956 . 0 0 "[ . 1 .]" 2
58 1 57 LYS O 1 61 GLN H 1.900 . 2.200 1.908 1.751 1.996 . 0 0 "[ . 1 .]" 2
59 1 58 LEU O 1 62 HIS N 2.850 2.550 3.150 3.000 2.845 3.138 . 0 0 "[ . 1 .]" 2
60 1 58 LEU O 1 62 HIS H 1.900 . 2.200 2.030 1.863 2.168 . 0 0 "[ . 1 .]" 2
61 1 59 PHE O 1 63 ILE N 2.850 2.550 3.150 2.739 2.674 2.843 . 0 0 "[ . 1 .]" 2
62 1 59 PHE O 1 63 ILE H 1.900 . 2.200 1.801 1.739 1.892 . 0 0 "[ . 1 .]" 2
63 1 60 LEU O 1 64 HIS N 2.850 2.550 3.150 2.910 2.819 3.021 . 0 0 "[ . 1 .]" 2
64 1 60 LEU O 1 64 HIS H 1.900 . 2.200 2.015 1.944 2.086 . 0 0 "[ . 1 .]" 2
65 1 61 GLN O 1 65 ARG N 2.850 2.550 3.150 2.914 2.813 3.095 . 0 0 "[ . 1 .]" 2
66 1 61 GLN O 1 65 ARG H 1.900 . 2.200 1.947 1.826 2.121 . 0 0 "[ . 1 .]" 2
67 1 62 HIS O 1 66 LEU N 2.850 2.550 3.150 2.691 2.596 2.790 . 0 0 "[ . 1 .]" 2
68 1 62 HIS O 1 66 LEU H 1.900 . 2.200 1.713 1.616 1.807 . 0 0 "[ . 1 .]" 2
69 1 63 ILE O 1 67 LYS N 2.850 2.550 3.150 2.885 2.657 3.176 0.026 15 0 "[ . 1 .]" 2
70 1 63 ILE O 1 67 LYS H 1.900 . 2.200 1.951 1.727 2.199 . 0 0 "[ . 1 .]" 2
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