NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
528214 |
2lgw   |
17825 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgw
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 711
_Distance_constraint_stats_list.Viol_count 897
_Distance_constraint_stats_list.Viol_total 2027.528
_Distance_constraint_stats_list.Viol_max 0.969
_Distance_constraint_stats_list.Viol_rms 0.0684
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.1507
_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 2 ALA 0.042 0.042 3 0 "[ . 1 .]"
1 3 SER 1.007 0.655 7 1 "[ . + 1 .]"
1 4 TYR 0.968 0.168 12 0 "[ . 1 .]"
1 5 TYR 0.519 0.236 7 0 "[ . 1 .]"
1 6 GLU 3.551 0.655 7 1 "[ . + 1 .]"
1 7 ILE 1.903 0.577 7 1 "[ . + 1 .]"
1 8 LEU 1.214 0.235 9 0 "[ . 1 .]"
1 9 ASP 2.153 0.502 3 1 "[ + . 1 .]"
1 10 VAL 0.954 0.094 1 0 "[ . 1 .]"
1 11 PRO 2.560 0.886 1 1 "[+ . 1 .]"
1 12 ARG 2.635 0.643 15 1 "[ . 1 +]"
1 13 SER 2.029 0.256 4 0 "[ . 1 .]"
1 14 ALA 2.711 0.886 1 1 "[+ . 1 .]"
1 15 SER 3.457 0.594 11 4 "[ *- .* 1+ .]"
1 16 ALA 1.170 0.183 5 0 "[ . 1 .]"
1 17 ASP 3.823 0.739 12 2 "[ . 1 + *.]"
1 18 ASP 2.305 0.552 14 2 "[ . 1 - +.]"
1 19 ILE 1.132 0.232 8 0 "[ . 1 .]"
1 20 LYS 2.143 0.464 4 0 "[ . 1 .]"
1 21 LYS 4.608 0.739 12 2 "[ . 1 + *.]"
1 22 ALA 0.410 0.337 15 0 "[ . 1 .]"
1 23 TYR 1.389 0.384 11 0 "[ . 1 .]"
1 24 ARG 2.896 0.763 2 1 "[ + . 1 .]"
1 25 ARG 1.423 0.521 10 1 "[ . + .]"
1 26 LYS 3.212 0.545 13 2 "[ . - 1 + .]"
1 27 ALA 1.171 0.545 13 2 "[ . - 1 + .]"
1 28 LEU 6.495 0.955 14 5 "[ * * *- +.]"
1 29 GLN 11.680 0.810 15 6 "[ * .- * * *+]"
1 30 TRP 4.381 0.752 11 1 "[ . 1+ .]"
1 31 HIS 0.245 0.075 7 0 "[ . 1 .]"
1 32 PRO 1.905 0.173 11 0 "[ . 1 .]"
1 33 ASP 3.092 0.252 3 0 "[ . 1 .]"
1 34 LYS 2.539 0.252 3 0 "[ . 1 .]"
1 35 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 36 PRO 0.734 0.136 10 0 "[ . 1 .]"
1 37 ASP 2.242 0.855 15 2 "[ . - 1 +]"
1 38 ASN 0.246 0.246 12 0 "[ . 1 .]"
1 39 LYS 2.429 0.855 15 2 "[ . - 1 +]"
1 40 GLU 2.084 0.184 8 0 "[ . 1 .]"
1 41 PHE 5.834 0.941 11 2 "[ . -+ .]"
1 42 ALA 5.502 0.752 11 3 "[ * *. 1+ .]"
1 43 GLU 2.130 0.819 15 2 "[ - . 1 +]"
1 44 LYS 3.674 0.376 14 0 "[ . 1 .]"
1 45 LYS 14.806 0.618 2 3 "[ + *. 1- .]"
1 46 PHE 3.346 0.423 7 0 "[ . 1 .]"
1 47 LYS 4.911 0.423 7 0 "[ . 1 .]"
1 48 GLU 4.053 0.283 15 0 "[ . 1 .]"
1 49 VAL 0.509 0.496 7 0 "[ . 1 .]"
1 50 ALA 0.077 0.043 2 0 "[ . 1 .]"
1 51 GLU 1.882 0.748 13 1 "[ . 1 + .]"
1 52 ALA 0.051 0.040 2 0 "[ . 1 .]"
1 53 TYR 0.796 0.085 2 0 "[ . 1 .]"
1 54 GLU 1.989 0.748 13 1 "[ . 1 + .]"
1 55 VAL 0.596 0.254 1 0 "[ . 1 .]"
1 56 LEU 2.983 0.269 9 0 "[ . 1 .]"
1 57 SER 6.268 0.891 10 5 "[ **- + * .]"
1 58 ASP 5.723 0.891 10 5 "[ **- + * .]"
1 59 LYS 3.212 0.552 15 1 "[ . 1 +]"
1 60 HIS 6.137 0.502 9 1 "[ . +1 .]"
1 61 LYS 3.493 0.969 12 2 "[ - . 1 + .]"
1 62 ARG 0.158 0.039 3 0 "[ . 1 .]"
1 63 GLU 9.761 0.775 11 8 "[ ** .***-1+ * .]"
1 64 ILE 0.752 0.271 11 0 "[ . 1 .]"
1 65 TYR 0.864 0.111 1 0 "[ . 1 .]"
1 66 ASP 1.338 0.161 8 0 "[ . 1 .]"
1 67 ARG 1.903 0.161 8 0 "[ . 1 .]"
1 68 TYR 0.131 0.052 12 0 "[ . 1 .]"
1 69 GLY 2.859 0.284 9 0 "[ . 1 .]"
1 70 ARG 3.289 0.284 9 0 "[ . 1 .]"
1 71 GLU 1.274 0.193 6 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 2 ALA MB 1 3 SER H 3.799 2.067 5.531 2.780 2.025 3.687 0.042 3 0 "[ . 1 .]" 1
2 1 2 ALA MB 1 4 TYR H 2.389 . 3.074 2.633 2.338 3.018 . 0 0 "[ . 1 .]" 1
3 1 2 ALA MB 1 4 TYR QB 2.631 . 3.462 2.896 2.255 3.274 . 0 0 "[ . 1 .]" 1
4 1 3 SER H 1 3 SER HB3 4.024 2.081 5.967 3.677 2.784 4.069 . 0 0 "[ . 1 .]" 1
5 1 3 SER H 1 6 GLU HG2 4.012 2.080 5.944 5.696 4.576 6.599 0.655 7 1 "[ . + 1 .]" 1
6 1 4 TYR H 1 4 TYR QB 3.464 2.072 4.904 2.338 1.981 2.548 0.091 2 0 "[ . 1 .]" 1
7 1 4 TYR H 1 5 TYR H 3.211 . 4.448 2.593 2.463 2.741 . 0 0 "[ . 1 .]" 1
8 1 4 TYR H 1 7 ILE MG 4.764 2.041 7.487 4.657 4.331 5.194 . 0 0 "[ . 1 .]" 1
9 1 4 TYR HA 1 4 TYR QB 3.167 . 4.370 2.323 2.154 2.418 . 0 0 "[ . 1 .]" 1
10 1 4 TYR HA 1 5 TYR H 6.307 . 11.081 3.488 3.434 3.546 . 0 0 "[ . 1 .]" 1
11 1 4 TYR HA 1 7 ILE H 3.236 . 4.493 3.077 2.881 3.290 . 0 0 "[ . 1 .]" 1
12 1 4 TYR HA 1 7 ILE HB 3.192 . 4.415 4.406 4.304 4.551 0.136 11 0 "[ . 1 .]" 1
13 1 4 TYR HA 1 7 ILE MG 2.508 . 3.263 3.135 2.836 3.227 . 0 0 "[ . 1 .]" 1
14 1 4 TYR QB 1 5 TYR H . 2.023 3.039 2.866 2.617 3.115 0.076 15 0 "[ . 1 .]" 1
15 1 4 TYR QB 1 56 LEU MD2 2.732 . 3.627 2.346 1.854 3.795 0.168 12 0 "[ . 1 .]" 1
16 1 5 TYR H 1 5 TYR HB3 3.007 . 4.092 2.682 2.351 2.974 . 0 0 "[ . 1 .]" 1
17 1 5 TYR H 1 6 GLU H 3.095 . 4.245 2.631 2.489 2.768 . 0 0 "[ . 1 .]" 1
18 1 5 TYR H 1 6 GLU HG2 3.891 2.074 5.708 4.581 4.193 5.944 0.236 7 0 "[ . 1 .]" 1
19 1 5 TYR H 1 11 PRO HA 2.954 . 4.001 3.617 2.723 4.095 0.094 9 0 "[ . 1 .]" 1
20 1 5 TYR HA 1 6 GLU H 3.791 2.066 5.516 3.501 3.486 3.530 . 0 0 "[ . 1 .]" 1
21 1 5 TYR HA 1 8 LEU H 3.835 2.071 5.599 3.893 3.605 4.356 . 0 0 "[ . 1 .]" 1
22 1 5 TYR HA 1 10 VAL H 3.583 2.042 5.124 3.478 2.969 4.527 . 0 0 "[ . 1 .]" 1
23 1 5 TYR HB3 1 6 GLU H 3.454 2.023 4.885 3.468 2.593 4.220 . 0 0 "[ . 1 .]" 1
24 1 6 GLU H 1 6 GLU HB3 3.160 . 4.358 3.575 3.550 3.591 . 0 0 "[ . 1 .]" 1
25 1 6 GLU H 1 6 GLU HG2 2.648 . 3.489 2.497 2.177 3.671 0.182 7 0 "[ . 1 .]" 1
26 1 6 GLU H 1 7 ILE H 3.034 . 4.139 2.545 2.511 2.582 . 0 0 "[ . 1 .]" 1
27 1 6 GLU HA 1 6 GLU HB3 2.280 . 2.904 2.495 2.325 2.559 . 0 0 "[ . 1 .]" 1
28 1 6 GLU HA 1 6 GLU HG2 2.201 . 2.783 2.856 2.601 2.926 0.143 10 0 "[ . 1 .]" 1
29 1 6 GLU HA 1 7 ILE H 3.737 2.061 5.413 3.545 3.535 3.557 . 0 0 "[ . 1 .]" 1
30 1 6 GLU HB3 1 7 ILE H 3.548 2.037 5.059 3.597 3.476 3.936 . 0 0 "[ . 1 .]" 1
31 1 6 GLU HG2 1 7 ILE H 3.220 . 4.464 4.426 4.188 5.041 0.577 7 1 "[ . + 1 .]" 1
32 1 7 ILE H 1 7 ILE HB 2.730 . 3.625 3.637 3.601 3.657 0.032 8 0 "[ . 1 .]" 1
33 1 7 ILE H 1 7 ILE MD 4.159 2.083 6.235 3.669 3.443 3.768 . 0 0 "[ . 1 .]" 1
34 1 7 ILE H 1 7 ILE HG12 3.255 . 4.527 3.014 2.054 3.329 . 0 0 "[ . 1 .]" 1
35 1 7 ILE H 1 7 ILE HG13 1.941 . 2.393 2.204 1.877 2.580 0.187 6 0 "[ . 1 .]" 1
36 1 7 ILE H 1 7 ILE MG 3.019 . 4.112 2.292 2.080 2.456 . 0 0 "[ . 1 .]" 1
37 1 7 ILE H 1 8 LEU H 2.573 . 3.367 2.608 2.560 2.701 . 0 0 "[ . 1 .]" 1
38 1 7 ILE HA 1 7 ILE HB 2.049 . 2.553 2.456 2.412 2.507 . 0 0 "[ . 1 .]" 1
39 1 7 ILE HA 1 7 ILE MD 3.643 2.050 5.236 3.812 3.684 4.141 . 0 0 "[ . 1 .]" 1
40 1 7 ILE HA 1 7 ILE HG12 3.283 . 4.576 4.120 3.752 4.234 . 0 0 "[ . 1 .]" 1
41 1 7 ILE HA 1 7 ILE HG13 3.087 . 4.231 3.603 3.561 3.634 . 0 0 "[ . 1 .]" 1
42 1 7 ILE HA 1 7 ILE MG 3.154 . 4.348 2.285 2.191 2.424 . 0 0 "[ . 1 .]" 1
43 1 7 ILE HA 1 8 LEU H 3.780 2.065 5.495 3.528 3.489 3.563 . 0 0 "[ . 1 .]" 1
44 1 7 ILE HA 1 9 ASP H 4.540 2.067 7.013 6.087 5.778 6.575 . 0 0 "[ . 1 .]" 1
45 1 7 ILE HB 1 7 ILE MG 2.488 . 3.231 2.121 2.109 2.126 . 0 0 "[ . 1 .]" 1
46 1 7 ILE HB 1 8 LEU H 3.574 2.041 5.107 3.808 3.572 4.007 . 0 0 "[ . 1 .]" 1
47 1 7 ILE MD 1 7 ILE HG12 2.103 . 2.634 2.114 2.102 2.121 . 0 0 "[ . 1 .]" 1
48 1 7 ILE MD 1 56 LEU QB 2.967 . 4.024 3.144 2.520 3.677 . 0 0 "[ . 1 .]" 1
49 1 7 ILE HG12 1 7 ILE MG 2.059 . 2.568 2.131 1.999 2.175 . 0 0 "[ . 1 .]" 1
50 1 7 ILE HG13 1 7 ILE MG 2.996 . 4.073 2.772 2.628 3.134 . 0 0 "[ . 1 .]" 1
51 1 7 ILE HG13 1 8 LEU H 2.370 . 3.044 2.116 1.695 2.382 0.001 6 0 "[ . 1 .]" 1
52 1 8 LEU H 1 8 LEU HA 2.987 . 4.057 2.930 2.920 2.939 . 0 0 "[ . 1 .]" 1
53 1 8 LEU H 1 8 LEU HB2 2.370 . 3.044 2.770 2.458 2.873 . 0 0 "[ . 1 .]" 1
54 1 8 LEU H 1 8 LEU MD1 4.083 2.082 6.084 4.139 3.716 4.299 . 0 0 "[ . 1 .]" 1
55 1 8 LEU H 1 8 LEU MD2 3.991 2.080 5.902 4.106 3.132 4.440 . 0 0 "[ . 1 .]" 1
56 1 8 LEU H 1 9 ASP H 2.516 . 3.275 2.899 2.547 3.299 0.024 1 0 "[ . 1 .]" 1
57 1 8 LEU H 1 10 VAL H 3.286 . 4.582 4.458 4.144 4.637 0.055 10 0 "[ . 1 .]" 1
58 1 8 LEU HB2 1 9 ASP H 2.906 . 3.919 3.030 1.801 3.481 0.092 6 0 "[ . 1 .]" 1
59 1 8 LEU MD1 1 9 ASP H 3.915 2.076 5.754 3.777 2.569 4.057 . 0 0 "[ . 1 .]" 1
60 1 8 LEU MD1 1 23 TYR H 4.238 2.083 6.393 3.475 2.692 4.262 . 0 0 "[ . 1 .]" 1
61 1 8 LEU MD1 1 23 TYR HA 3.868 2.073 5.663 3.164 2.112 4.952 . 0 0 "[ . 1 .]" 1
62 1 8 LEU MD2 1 9 ASP H 4.215 2.083 6.347 3.495 2.917 4.332 . 0 0 "[ . 1 .]" 1
63 1 8 LEU MD2 1 23 TYR H 4.223 2.083 6.363 3.735 3.162 4.583 . 0 0 "[ . 1 .]" 1
64 1 8 LEU MD2 1 53 TYR H 4.457 2.073 6.841 4.444 2.876 5.729 . 0 0 "[ . 1 .]" 1
65 1 8 LEU MD2 1 53 TYR HA 3.619 2.047 5.191 3.018 2.448 3.876 . 0 0 "[ . 1 .]" 1
66 1 8 LEU HG 1 9 ASP H 2.608 . 3.424 2.921 2.289 3.659 0.235 9 0 "[ . 1 .]" 1
67 1 9 ASP H 1 9 ASP HA 2.374 . 3.050 2.770 2.718 2.926 . 0 0 "[ . 1 .]" 1
68 1 9 ASP H 1 9 ASP HB2 3.384 2.010 4.758 3.659 2.936 4.156 . 0 0 "[ . 1 .]" 1
69 1 9 ASP H 1 9 ASP HB3 3.030 . 4.132 3.403 2.869 3.919 . 0 0 "[ . 1 .]" 1
70 1 9 ASP H 1 10 VAL H 1.716 . 2.069 1.767 1.475 2.013 . 0 0 "[ . 1 .]" 1
71 1 9 ASP HA 1 9 ASP HB2 2.028 . 2.522 2.515 2.422 3.024 0.502 3 1 "[ + . 1 .]" 1
72 1 9 ASP HA 1 9 ASP HB3 2.612 . 3.431 2.843 2.446 3.037 . 0 0 "[ . 1 .]" 1
73 1 9 ASP HA 1 10 VAL H 2.601 . 3.413 3.440 3.230 3.507 0.094 1 0 "[ . 1 .]" 1
74 1 9 ASP HB2 1 10 VAL H 3.904 2.075 5.733 3.944 3.084 4.372 . 0 0 "[ . 1 .]" 1
75 1 9 ASP HB3 1 10 VAL H 3.693 2.056 5.330 3.257 2.589 4.460 . 0 0 "[ . 1 .]" 1
76 1 10 VAL H 1 10 VAL HB 3.679 2.055 5.303 3.773 3.741 3.839 . 0 0 "[ . 1 .]" 1
77 1 10 VAL H 1 10 VAL MG1 3.600 2.045 5.155 2.882 2.782 3.005 . 0 0 "[ . 1 .]" 1
78 1 10 VAL H 1 10 VAL MG2 3.634 2.050 5.218 2.083 2.010 2.196 0.040 8 0 "[ . 1 .]" 1
79 1 10 VAL H 1 22 ALA MB 3.205 . 4.438 3.366 2.828 3.663 . 0 0 "[ . 1 .]" 1
80 1 10 VAL HA 1 10 VAL HB 2.710 . 3.591 2.482 2.464 2.510 . 0 0 "[ . 1 .]" 1
81 1 10 VAL HA 1 10 VAL MG1 3.238 . 4.496 2.328 2.294 2.352 . 0 0 "[ . 1 .]" 1
82 1 10 VAL HA 1 10 VAL MG2 3.577 2.041 5.113 3.212 3.205 3.218 . 0 0 "[ . 1 .]" 1
83 1 10 VAL HB 1 10 VAL MG1 2.690 . 3.558 2.127 2.123 2.130 . 0 0 "[ . 1 .]" 1
84 1 10 VAL HB 1 10 VAL MG2 2.446 . 3.164 2.129 2.126 2.132 . 0 0 "[ . 1 .]" 1
85 1 10 VAL HB 1 14 ALA H 3.479 2.026 4.932 4.585 4.198 4.951 0.019 1 0 "[ . 1 .]" 1
86 1 11 PRO HA 1 12 ARG H 4.097 2.083 6.111 2.551 2.280 3.533 . 0 0 "[ . 1 .]" 1
87 1 11 PRO HB2 1 12 ARG H 3.185 . 4.402 2.405 1.954 3.095 0.014 14 0 "[ . 1 .]" 1
88 1 11 PRO HB2 1 14 ALA H 3.384 2.010 4.758 4.201 3.312 4.876 0.118 1 0 "[ . 1 .]" 1
89 1 11 PRO HB3 1 12 ARG H 3.359 2.005 4.713 3.361 2.960 3.566 . 0 0 "[ . 1 .]" 1
90 1 11 PRO HG3 1 12 ARG H 3.786 2.066 5.506 4.823 3.509 5.331 . 0 0 "[ . 1 .]" 1
91 1 11 PRO HG3 1 14 ALA H 3.682 2.055 5.309 5.308 4.678 6.195 0.886 1 1 "[+ . 1 .]" 1
92 1 12 ARG H 1 12 ARG HA 2.572 . 3.366 2.842 2.777 2.887 . 0 0 "[ . 1 .]" 1
93 1 12 ARG H 1 12 ARG HB2 3.239 . 4.498 3.481 2.491 4.032 . 0 0 "[ . 1 .]" 1
94 1 12 ARG H 1 12 ARG HD3 3.641 2.050 5.232 3.859 1.407 5.073 0.643 15 1 "[ . 1 +]" 1
95 1 12 ARG H 1 12 ARG QG 2.489 . 3.232 2.123 1.755 3.113 . 0 0 "[ . 1 .]" 1
96 1 12 ARG H 1 13 SER H 3.081 . 4.220 2.629 1.928 4.272 0.052 1 0 "[ . 1 .]" 1
97 1 12 ARG HA 1 13 SER H 3.772 2.065 5.479 3.318 2.047 3.535 0.018 1 0 "[ . 1 .]" 1
98 1 12 ARG HB2 1 13 SER H 2.805 . 3.749 3.797 3.208 4.005 0.256 4 0 "[ . 1 .]" 1
99 1 12 ARG QG 1 13 SER H 3.109 . 4.269 2.875 2.236 4.155 . 0 0 "[ . 1 .]" 1
100 1 12 ARG QG 1 14 ALA H 4.530 2.068 6.992 4.759 4.303 5.700 . 0 0 "[ . 1 .]" 1
101 1 13 SER H 1 13 SER HA 2.809 . 3.756 2.831 2.768 2.927 . 0 0 "[ . 1 .]" 1
102 1 13 SER H 1 13 SER HB3 3.119 . 4.286 3.082 2.647 3.597 . 0 0 "[ . 1 .]" 1
103 1 13 SER H 1 14 ALA H 3.024 . 4.122 2.569 1.874 2.786 0.052 1 0 "[ . 1 .]" 1
104 1 13 SER H 1 14 ALA MB 4.041 2.081 6.001 4.163 3.419 4.391 . 0 0 "[ . 1 .]" 1
105 1 13 SER HA 1 14 ALA H 2.839 . 3.806 3.363 2.947 3.502 . 0 0 "[ . 1 .]" 1
106 1 13 SER HB3 1 14 ALA H 3.678 2.055 5.301 3.892 2.553 4.503 . 0 0 "[ . 1 .]" 1
107 1 14 ALA H 1 14 ALA HA 2.814 . 3.764 2.869 2.833 2.896 . 0 0 "[ . 1 .]" 1
108 1 14 ALA H 1 14 ALA MB 2.577 . 3.374 2.228 2.186 2.296 . 0 0 "[ . 1 .]" 1
109 1 14 ALA H 1 15 SER H 3.755 2.063 5.447 4.578 4.533 4.611 . 0 0 "[ . 1 .]" 1
110 1 14 ALA HA 1 14 ALA MB 2.856 . 3.835 2.127 2.120 2.133 . 0 0 "[ . 1 .]" 1
111 1 14 ALA HA 1 15 SER H 2.551 . 3.332 2.234 2.162 2.280 . 0 0 "[ . 1 .]" 1
112 1 14 ALA MB 1 15 SER H 3.015 . 4.106 2.800 2.725 2.976 . 0 0 "[ . 1 .]" 1
113 1 14 ALA MB 1 18 ASP QB 2.256 . 2.867 1.967 1.462 2.742 0.183 15 0 "[ . 1 .]" 1
114 1 15 SER H 1 15 SER HA 2.666 . 3.519 2.844 2.762 2.904 . 0 0 "[ . 1 .]" 1
115 1 15 SER H 1 15 SER HB3 2.346 . 3.007 2.848 2.418 3.601 0.594 11 4 "[ *- .* 1+ .]" 1
116 1 15 SER H 1 18 ASP H 3.600 2.045 5.155 4.004 3.475 4.807 . 0 0 "[ . 1 .]" 1
117 1 15 SER H 1 18 ASP QB 3.072 . 4.205 2.922 2.451 3.643 . 0 0 "[ . 1 .]" 1
118 1 15 SER H 1 19 ILE H 3.794 2.066 5.522 4.935 4.443 5.453 . 0 0 "[ . 1 .]" 1
119 1 15 SER HA 1 16 ALA H 1.891 . 2.320 2.380 2.155 2.503 0.183 5 0 "[ . 1 .]" 1
120 1 16 ALA H 1 16 ALA MB 3.105 . 4.262 2.229 2.208 2.245 . 0 0 "[ . 1 .]" 1
121 1 16 ALA H 1 17 ASP H 3.987 2.080 5.894 2.825 2.717 2.899 . 0 0 "[ . 1 .]" 1
122 1 16 ALA H 1 17 ASP HA 3.793 2.066 5.520 5.405 5.333 5.456 . 0 0 "[ . 1 .]" 1
123 1 16 ALA HA 1 16 ALA MB 2.282 . 2.907 2.123 2.116 2.130 . 0 0 "[ . 1 .]" 1
124 1 16 ALA HA 1 17 ASP H 4.012 2.080 5.944 3.520 3.470 3.560 . 0 0 "[ . 1 .]" 1
125 1 16 ALA HA 1 18 ASP H 3.968 2.079 5.857 4.241 4.076 4.431 . 0 0 "[ . 1 .]" 1
126 1 16 ALA HA 1 19 ILE H 3.439 2.020 4.858 3.410 3.209 3.624 . 0 0 "[ . 1 .]" 1
127 1 16 ALA HA 1 19 ILE HB 2.718 . 3.605 2.657 2.309 3.167 . 0 0 "[ . 1 .]" 1
128 1 16 ALA HA 1 19 ILE MD 3.178 . 4.390 2.625 2.004 3.167 . 0 0 "[ . 1 .]" 1
129 1 16 ALA HA 1 19 ILE MG 3.709 2.058 5.360 3.920 3.535 4.418 . 0 0 "[ . 1 .]" 1
130 1 16 ALA MB 1 17 ASP H 3.308 . 4.621 2.606 2.493 2.770 . 0 0 "[ . 1 .]" 1
131 1 16 ALA MB 1 18 ASP H 3.987 2.080 5.894 4.506 4.415 4.622 . 0 0 "[ . 1 .]" 1
132 1 17 ASP H 1 17 ASP HB3 2.857 . 3.836 3.265 2.508 3.593 . 0 0 "[ . 1 .]" 1
133 1 17 ASP H 1 18 ASP H 3.226 . 4.475 2.659 2.592 2.695 . 0 0 "[ . 1 .]" 1
134 1 17 ASP HA 1 17 ASP HB3 2.285 . 2.912 2.593 2.349 3.007 0.095 10 0 "[ . 1 .]" 1
135 1 17 ASP HA 1 18 ASP H 3.388 2.010 4.766 3.512 3.489 3.533 . 0 0 "[ . 1 .]" 1
136 1 17 ASP HA 1 20 LYS H 3.308 . 4.621 3.333 3.136 3.705 . 0 0 "[ . 1 .]" 1
137 1 17 ASP HA 1 21 LYS H 3.879 2.073 5.685 4.118 3.892 4.383 . 0 0 "[ . 1 .]" 1
138 1 17 ASP HB3 1 18 ASP H 2.694 . 3.565 3.518 2.724 4.117 0.552 14 2 "[ . 1 - +.]" 1
139 1 17 ASP HB3 1 21 LYS H 3.643 2.050 5.236 5.172 4.849 5.975 0.739 12 2 "[ . 1 + -.]" 1
140 1 18 ASP H 1 18 ASP HA 2.853 . 3.830 2.833 2.811 2.848 . 0 0 "[ . 1 .]" 1
141 1 18 ASP H 1 18 ASP QB 2.990 . 3.421 2.304 2.178 2.537 . 0 0 "[ . 1 .]" 1
142 1 18 ASP H 1 19 ILE H 2.926 . 3.953 2.607 2.513 2.715 . 0 0 "[ . 1 .]" 1
143 1 18 ASP HA 1 19 ILE H 3.649 2.051 5.247 3.538 3.505 3.561 . 0 0 "[ . 1 .]" 1
144 1 18 ASP HA 1 21 LYS H 3.927 2.076 5.778 3.233 2.914 3.679 . 0 0 "[ . 1 .]" 1
145 1 18 ASP HA 1 21 LYS HB2 2.655 . 3.501 2.714 2.236 3.399 . 0 0 "[ . 1 .]" 1
146 1 18 ASP HA 1 22 ALA H 4.083 2.082 6.084 4.052 3.749 4.428 . 0 0 "[ . 1 .]" 1
147 1 18 ASP QB 1 19 ILE H . . 2.523 2.507 2.421 2.617 0.094 1 0 "[ . 1 .]" 1
148 1 19 ILE H 1 19 ILE HB 2.020 . 2.510 2.307 2.225 2.377 . 0 0 "[ . 1 .]" 1
149 1 19 ILE H 1 19 ILE HG12 2.976 . 4.039 4.047 3.985 4.146 0.107 11 0 "[ . 1 .]" 1
150 1 19 ILE H 1 19 ILE HG13 2.725 . 3.616 3.542 3.460 3.606 . 0 0 "[ . 1 .]" 1
151 1 19 ILE H 1 19 ILE MG 4.165 2.084 6.246 3.702 3.641 3.739 . 0 0 "[ . 1 .]" 1
152 1 19 ILE H 1 20 LYS H 2.775 . 3.699 2.714 2.642 2.839 . 0 0 "[ . 1 .]" 1
153 1 19 ILE HA 1 19 ILE MD 2.375 . 3.052 2.906 2.876 2.937 . 0 0 "[ . 1 .]" 1
154 1 19 ILE HA 1 19 ILE HG12 2.646 . 3.486 3.511 3.437 3.535 0.049 1 0 "[ . 1 .]" 1
155 1 19 ILE HA 1 19 ILE HG13 2.464 . 3.193 2.196 2.087 2.233 . 0 0 "[ . 1 .]" 1
156 1 19 ILE HA 1 19 ILE MG 2.987 . 4.057 2.653 2.593 2.725 . 0 0 "[ . 1 .]" 1
157 1 19 ILE HA 1 20 LYS H 3.861 2.072 5.650 3.539 3.517 3.575 . 0 0 "[ . 1 .]" 1
158 1 19 ILE HA 1 22 ALA H 3.893 2.075 5.711 3.274 3.099 3.437 . 0 0 "[ . 1 .]" 1
159 1 19 ILE HA 1 22 ALA MB 2.261 . 2.875 2.531 2.360 2.687 . 0 0 "[ . 1 .]" 1
160 1 19 ILE HB 1 19 ILE MD 1.938 . 2.389 2.289 2.258 2.304 . 0 0 "[ . 1 .]" 1
161 1 19 ILE HB 1 19 ILE MG 1.929 . 2.375 2.123 2.121 2.126 . 0 0 "[ . 1 .]" 1
162 1 19 ILE HB 1 20 LYS H 2.300 . 2.935 2.715 2.635 2.828 . 0 0 "[ . 1 .]" 1
163 1 19 ILE HG12 1 19 ILE MG 2.146 . 2.699 2.209 2.186 2.222 . 0 0 "[ . 1 .]" 1
164 1 19 ILE HG12 1 20 LYS H 4.231 2.082 6.380 5.145 5.071 5.248 . 0 0 "[ . 1 .]" 1
165 1 19 ILE HG12 1 56 LEU MD1 3.760 2.063 5.457 3.677 1.831 5.269 0.232 8 0 "[ . 1 .]" 1
166 1 19 ILE HG13 1 19 ILE MG 3.420 2.016 4.824 2.589 2.565 2.644 . 0 0 "[ . 1 .]" 1
167 1 19 ILE MG 1 20 LYS H 3.259 . 4.533 2.951 2.800 3.082 . 0 0 "[ . 1 .]" 1
168 1 19 ILE MG 1 57 SER H 3.789 2.067 5.511 3.806 3.158 4.787 . 0 0 "[ . 1 .]" 1
169 1 20 LYS H 1 20 LYS HA 2.960 . 4.012 2.806 2.776 2.833 . 0 0 "[ . 1 .]" 1
170 1 20 LYS H 1 20 LYS HB3 2.433 . 3.143 2.846 2.365 3.607 0.464 4 0 "[ . 1 .]" 1
171 1 20 LYS H 1 57 SER HA 4.358 2.079 6.637 6.388 5.856 6.753 0.116 11 0 "[ . 1 .]" 1
172 1 20 LYS HA 1 20 LYS HB3 2.499 . 3.249 2.847 2.379 3.029 . 0 0 "[ . 1 .]" 1
173 1 20 LYS HA 1 21 LYS H 3.756 2.063 5.449 3.535 3.504 3.553 . 0 0 "[ . 1 .]" 1
174 1 20 LYS HA 1 23 TYR H 3.272 . 4.557 3.493 3.245 3.701 . 0 0 "[ . 1 .]" 1
175 1 20 LYS HA 1 24 ARG H 3.185 . 4.402 4.171 3.826 4.381 . 0 0 "[ . 1 .]" 1
176 1 20 LYS HB3 1 21 LYS H 2.840 . 3.808 2.968 2.484 3.863 0.055 3 0 "[ . 1 .]" 1
177 1 20 LYS HB3 1 22 ALA H 4.019 2.081 5.957 5.232 4.858 5.941 . 0 0 "[ . 1 .]" 1
178 1 20 LYS HB3 1 23 TYR H 4.067 2.082 6.052 5.556 5.298 5.944 . 0 0 "[ . 1 .]" 1
179 1 20 LYS HB3 1 24 ARG H 4.384 2.078 6.690 5.527 4.794 6.398 . 0 0 "[ . 1 .]" 1
180 1 21 LYS H 1 21 LYS HB2 3.147 . 4.335 2.346 2.118 2.714 . 0 0 "[ . 1 .]" 1
181 1 21 LYS H 1 21 LYS HD3 3.950 2.078 5.822 4.773 4.411 5.330 . 0 0 "[ . 1 .]" 1
182 1 21 LYS H 1 21 LYS QE 3.940 2.077 5.803 4.328 3.280 5.476 . 0 0 "[ . 1 .]" 1
183 1 21 LYS H 1 21 LYS HG3 3.639 2.050 5.228 4.080 3.546 4.533 . 0 0 "[ . 1 .]" 1
184 1 21 LYS H 1 22 ALA H 2.762 . 3.677 2.634 2.565 2.747 . 0 0 "[ . 1 .]" 1
185 1 21 LYS H 1 23 TYR H 3.304 . 4.614 4.168 3.998 4.612 . 0 0 "[ . 1 .]" 1
186 1 21 LYS HA 1 21 LYS HB2 2.580 . 3.379 2.829 2.406 3.025 . 0 0 "[ . 1 .]" 1
187 1 21 LYS HA 1 21 LYS HD3 2.474 . 3.208 3.048 1.993 3.750 0.542 12 1 "[ . 1 + .]" 1
188 1 21 LYS HA 1 22 ALA H 3.637 2.049 5.225 3.533 3.495 3.562 . 0 0 "[ . 1 .]" 1
189 1 21 LYS HA 1 24 ARG H 3.157 . 4.353 3.280 2.972 3.578 . 0 0 "[ . 1 .]" 1
190 1 21 LYS HA 1 24 ARG QB 2.958 . 4.008 2.453 1.854 2.782 0.054 15 0 "[ . 1 .]" 1
191 1 21 LYS HA 1 25 ARG H 3.909 2.075 5.743 3.908 3.529 4.387 . 0 0 "[ . 1 .]" 1
192 1 21 LYS HB2 1 21 LYS QE 3.974 2.079 5.869 3.713 2.157 4.275 . 0 0 "[ . 1 .]" 1
193 1 21 LYS HB2 1 22 ALA H 2.812 . 3.761 3.133 2.522 4.098 0.337 15 0 "[ . 1 .]" 1
194 1 21 LYS HD3 1 21 LYS QE 1.903 . 2.338 2.281 2.154 2.425 0.087 11 0 "[ . 1 .]" 1
195 1 21 LYS QE 1 24 ARG QB 2.214 . 2.802 2.644 2.158 2.854 0.052 3 0 "[ . 1 .]" 1
196 1 22 ALA H 1 22 ALA HA 2.909 . 3.925 2.808 2.796 2.825 . 0 0 "[ . 1 .]" 1
197 1 22 ALA H 1 22 ALA MB 2.446 . 3.164 2.231 2.159 2.249 . 0 0 "[ . 1 .]" 1
198 1 22 ALA H 1 23 TYR H 2.860 . 3.841 2.701 2.595 2.811 . 0 0 "[ . 1 .]" 1
199 1 22 ALA H 1 25 ARG H 4.246 2.082 6.410 4.694 4.532 4.833 . 0 0 "[ . 1 .]" 1
200 1 22 ALA HA 1 23 TYR H 3.286 . 4.582 3.539 3.509 3.601 . 0 0 "[ . 1 .]" 1
201 1 22 ALA HA 1 25 ARG H 3.147 . 4.335 3.532 3.242 3.773 . 0 0 "[ . 1 .]" 1
202 1 22 ALA MB 1 23 TYR H 2.880 . 3.875 2.492 2.398 2.635 . 0 0 "[ . 1 .]" 1
203 1 23 TYR H 1 23 TYR HB2 2.538 . 3.311 3.092 2.901 3.695 0.384 11 0 "[ . 1 .]" 1
204 1 23 TYR H 1 23 TYR HD2 3.036 . 4.142 3.878 2.937 4.164 0.022 1 0 "[ . 1 .]" 1
205 1 23 TYR H 1 23 TYR HE2 4.560 2.064 7.056 6.172 4.712 6.533 . 0 0 "[ . 1 .]" 1
206 1 23 TYR H 1 24 ARG H 3.026 . 4.125 2.700 2.501 2.813 . 0 0 "[ . 1 .]" 1
207 1 23 TYR HA 1 23 TYR HB2 2.754 . 3.664 2.285 2.237 2.410 . 0 0 "[ . 1 .]" 1
208 1 23 TYR HA 1 26 LYS H 2.818 . 3.771 3.594 3.278 3.771 0.000 9 0 "[ . 1 .]" 1
209 1 23 TYR HB2 1 24 ARG H 4.148 2.083 6.213 4.077 3.932 4.175 . 0 0 "[ . 1 .]" 1
210 1 23 TYR HB2 1 49 VAL MG2 2.321 . 2.968 2.226 1.835 2.593 . 0 0 "[ . 1 .]" 1
211 1 23 TYR HD2 1 24 ARG H 3.066 . 4.194 3.104 2.735 4.547 0.353 11 0 "[ . 1 .]" 1
212 1 23 TYR HE2 1 24 ARG H 3.708 2.058 5.358 4.867 4.544 5.442 0.084 11 0 "[ . 1 .]" 1
213 1 24 ARG H 1 24 ARG QB 2.401 . 3.092 2.250 1.965 2.450 . 0 0 "[ . 1 .]" 1
214 1 24 ARG H 1 24 ARG QD 4.203 2.083 6.323 3.881 3.544 4.434 . 0 0 "[ . 1 .]" 1
215 1 24 ARG H 1 24 ARG HG3 2.473 . 3.207 2.789 2.288 3.970 0.763 2 1 "[ + . 1 .]" 1
216 1 24 ARG H 1 25 ARG H 3.051 . 4.168 2.708 2.571 2.830 . 0 0 "[ . 1 .]" 1
217 1 24 ARG HA 1 24 ARG QB 2.582 . 3.382 2.452 2.380 2.536 . 0 0 "[ . 1 .]" 1
218 1 24 ARG HA 1 24 ARG HG3 2.314 . 2.957 2.847 2.480 3.613 0.656 2 1 "[ + . 1 .]" 1
219 1 24 ARG HA 1 25 ARG H 3.644 2.050 5.238 3.549 3.490 3.575 . 0 0 "[ . 1 .]" 1
220 1 24 ARG HA 1 27 ALA H 3.535 2.035 5.035 3.373 3.184 3.514 . 0 0 "[ . 1 .]" 1
221 1 24 ARG HA 1 27 ALA MB 2.229 . 2.825 2.420 2.199 2.605 . 0 0 "[ . 1 .]" 1
222 1 24 ARG HA 1 28 LEU H 4.213 2.083 6.343 4.047 3.726 4.413 . 0 0 "[ . 1 .]" 1
223 1 24 ARG QB 1 24 ARG QD 1.820 . 2.217 2.176 2.063 2.257 0.040 9 0 "[ . 1 .]" 1
224 1 24 ARG QB 1 25 ARG H 2.249 . 2.856 2.672 2.564 2.793 . 0 0 "[ . 1 .]" 1
225 1 24 ARG QD 1 24 ARG HG3 2.298 . 2.932 2.251 2.160 2.398 . 0 0 "[ . 1 .]" 1
226 1 25 ARG H 1 25 ARG HA 2.720 . 3.608 2.830 2.801 2.851 . 0 0 "[ . 1 .]" 1
227 1 25 ARG H 1 25 ARG HB3 2.249 . 2.856 2.457 2.231 2.663 . 0 0 "[ . 1 .]" 1
228 1 25 ARG H 1 25 ARG HD3 3.659 2.052 5.266 4.706 4.133 5.787 0.521 10 1 "[ . + .]" 1
229 1 25 ARG H 1 25 ARG HG2 3.168 . 4.372 2.927 2.105 4.237 . 0 0 "[ . 1 .]" 1
230 1 25 ARG H 1 26 LYS H 2.928 . 3.956 2.639 2.512 2.762 . 0 0 "[ . 1 .]" 1
231 1 25 ARG H 1 27 ALA H 3.867 2.073 5.661 4.023 3.941 4.132 . 0 0 "[ . 1 .]" 1
232 1 25 ARG HA 1 25 ARG HB3 2.527 . 3.293 2.653 2.431 3.005 . 0 0 "[ . 1 .]" 1
233 1 25 ARG HA 1 26 LYS H 2.770 . 3.691 3.527 3.488 3.556 . 0 0 "[ . 1 .]" 1
234 1 25 ARG HA 1 28 LEU H 2.581 . 3.380 3.349 3.117 3.489 0.109 1 0 "[ . 1 .]" 1
235 1 25 ARG HB3 1 25 ARG HD3 2.944 . 3.984 2.998 2.229 3.816 . 0 0 "[ . 1 .]" 1
236 1 25 ARG HB3 1 26 LYS H 4.942 2.011 7.873 3.493 2.529 4.009 . 0 0 "[ . 1 .]" 1
237 1 25 ARG HG2 1 26 LYS H 2.363 . 3.033 2.770 2.391 3.153 0.120 13 0 "[ . 1 .]" 1
238 1 26 LYS H 1 26 LYS HA 2.699 . 3.573 2.829 2.795 2.848 . 0 0 "[ . 1 .]" 1
239 1 26 LYS H 1 26 LYS HB3 2.397 . 3.086 2.618 2.364 3.615 0.529 13 2 "[ . - 1 + .]" 1
240 1 26 LYS H 1 26 LYS QD 3.338 2.001 4.675 4.350 3.752 4.622 . 0 0 "[ . 1 .]" 1
241 1 26 LYS H 1 26 LYS QG 3.411 2.015 4.807 3.688 1.946 4.028 0.069 13 0 "[ . 1 .]" 1
242 1 26 LYS H 1 27 ALA H 2.900 . 3.909 2.571 2.512 2.709 . 0 0 "[ . 1 .]" 1
243 1 26 LYS H 1 28 LEU H 3.788 2.066 5.510 4.059 3.869 4.247 . 0 0 "[ . 1 .]" 1
244 1 26 LYS HA 1 27 ALA H 2.756 . 3.668 3.517 3.484 3.529 . 0 0 "[ . 1 .]" 1
245 1 26 LYS HA 1 29 GLN H 3.171 . 4.378 3.329 2.912 3.821 . 0 0 "[ . 1 .]" 1
246 1 26 LYS HA 1 30 TRP H 4.457 2.073 6.841 4.473 3.781 5.034 . 0 0 "[ . 1 .]" 1
247 1 26 LYS HB3 1 27 ALA H 2.487 . 3.229 2.691 2.361 3.774 0.545 13 2 "[ . - 1 + .]" 1
248 1 26 LYS QD 1 27 ALA H 3.449 2.022 4.876 4.531 4.215 4.715 . 0 0 "[ . 1 .]" 1
249 1 26 LYS QD 1 49 VAL MG2 3.750 2.062 5.438 2.540 1.566 4.073 0.496 7 0 "[ . 1 .]" 1
250 1 26 LYS QG 1 27 ALA H 2.785 . 3.716 3.627 3.435 3.763 0.047 7 0 "[ . 1 .]" 1
251 1 27 ALA H 1 27 ALA HA 2.874 . 3.866 2.787 2.763 2.818 . 0 0 "[ . 1 .]" 1
252 1 27 ALA H 1 27 ALA MB 2.455 . 3.178 2.180 2.148 2.228 . 0 0 "[ . 1 .]" 1
253 1 27 ALA H 1 28 LEU H 2.889 . 3.890 2.765 2.649 2.872 . 0 0 "[ . 1 .]" 1
254 1 27 ALA H 1 29 GLN H 3.402 2.014 4.790 4.120 3.910 4.357 . 0 0 "[ . 1 .]" 1
255 1 27 ALA HA 1 27 ALA MB 2.089 . 2.612 2.123 2.113 2.127 . 0 0 "[ . 1 .]" 1
256 1 27 ALA HA 1 28 LEU H 2.823 . 3.779 3.541 3.504 3.565 . 0 0 "[ . 1 .]" 1
257 1 27 ALA HA 1 29 GLN H 3.888 2.074 5.702 4.375 4.103 4.583 . 0 0 "[ . 1 .]" 1
258 1 27 ALA HA 1 30 TRP H 2.881 . 3.877 3.662 3.452 3.916 0.039 8 0 "[ . 1 .]" 1
259 1 27 ALA MB 1 28 LEU H 2.771 . 3.693 2.484 2.371 2.626 . 0 0 "[ . 1 .]" 1
260 1 28 LEU H 1 28 LEU HA 2.720 . 3.608 2.828 2.791 2.861 . 0 0 "[ . 1 .]" 1
261 1 28 LEU H 1 28 LEU HB2 2.321 . 2.967 2.136 2.041 2.326 . 0 0 "[ . 1 .]" 1
262 1 28 LEU H 1 28 LEU MD1 2.501 . 3.251 3.030 2.183 4.206 0.955 14 3 "[ - * +.]" 1
263 1 28 LEU H 1 28 LEU HG 3.346 2.002 4.690 4.193 3.952 4.432 . 0 0 "[ . 1 .]" 1
264 1 28 LEU H 1 29 GLN H 2.806 . 3.751 2.618 2.496 2.736 . 0 0 "[ . 1 .]" 1
265 1 28 LEU H 1 30 TRP H 3.607 2.046 5.168 4.189 4.045 4.380 . 0 0 "[ . 1 .]" 1
266 1 28 LEU HA 1 28 LEU MD1 2.553 . 3.335 2.174 1.780 2.600 . 0 0 "[ . 1 .]" 1
267 1 28 LEU HA 1 29 GLN H 3.179 . 4.392 3.515 3.479 3.543 . 0 0 "[ . 1 .]" 1
268 1 28 LEU HA 1 31 HIS H 2.684 . 3.549 3.389 3.244 3.540 . 0 0 "[ . 1 .]" 1
269 1 28 LEU HB2 1 28 LEU MD1 2.120 . 2.659 2.651 2.321 3.200 0.541 14 5 "[ * * *- +.]" 1
270 1 28 LEU HB2 1 29 GLN H 2.556 . 3.340 3.059 2.890 3.331 . 0 0 "[ . 1 .]" 1
271 1 28 LEU MD1 1 28 LEU HG 3.161 . 4.360 2.120 2.113 2.127 . 0 0 "[ . 1 .]" 1
272 1 28 LEU HG 1 29 GLN H 4.889 2.021 7.757 5.112 4.822 5.304 . 0 0 "[ . 1 .]" 1
273 1 29 GLN H 1 29 GLN HA 2.972 . 4.032 2.812 2.795 2.836 . 0 0 "[ . 1 .]" 1
274 1 29 GLN H 1 29 GLN HB3 2.211 . 2.798 2.946 2.336 3.608 0.810 15 6 "[ * .- * * *+]" 1
275 1 29 GLN H 1 29 GLN HG3 3.249 . 4.516 3.857 2.138 4.493 . 0 0 "[ . 1 .]" 1
276 1 29 GLN H 1 30 TRP H 3.062 . 4.187 2.672 2.609 2.781 . 0 0 "[ . 1 .]" 1
277 1 29 GLN H 1 31 HIS H 3.725 2.060 5.390 3.951 3.782 4.053 . 0 0 "[ . 1 .]" 1
278 1 29 GLN HA 1 29 GLN HB3 2.912 . 3.930 2.817 2.462 3.025 . 0 0 "[ . 1 .]" 1
279 1 29 GLN HA 1 29 GLN HG3 2.838 . 3.805 3.040 2.506 3.784 . 0 0 "[ . 1 .]" 1
280 1 29 GLN HA 1 30 TRP H 3.584 2.043 5.125 3.517 3.492 3.557 . 0 0 "[ . 1 .]" 1
281 1 29 GLN HB3 1 29 GLN HG3 2.041 . 2.541 2.749 2.404 3.012 0.471 3 0 "[ . 1 .]" 1
282 1 29 GLN HB3 1 30 TRP H 2.652 . 3.496 3.150 2.577 3.814 0.318 15 0 "[ . 1 .]" 1
283 1 29 GLN HG3 1 30 TRP H 3.350 2.003 4.697 4.576 3.860 5.076 0.379 6 0 "[ . 1 .]" 1
284 1 30 TRP H 1 30 TRP HB2 2.816 . 3.768 2.692 2.399 3.733 . 0 0 "[ . 1 .]" 1
285 1 30 TRP H 1 30 TRP HB3 2.865 . 3.850 3.617 3.057 3.740 . 0 0 "[ . 1 .]" 1
286 1 30 TRP H 1 31 HIS H 2.959 . 4.009 2.440 2.287 2.555 . 0 0 "[ . 1 .]" 1
287 1 30 TRP H 1 31 HIS HB3 4.004 2.081 5.927 5.364 4.733 5.798 . 0 0 "[ . 1 .]" 1
288 1 30 TRP HA 1 30 TRP HB2 2.900 . 3.909 2.949 2.486 3.027 . 0 0 "[ . 1 .]" 1
289 1 30 TRP HA 1 30 TRP HB3 2.797 . 3.736 2.482 2.387 2.618 . 0 0 "[ . 1 .]" 1
290 1 30 TRP HA 1 31 HIS H 3.662 2.053 5.271 3.061 3.010 3.192 . 0 0 "[ . 1 .]" 1
291 1 30 TRP HA 1 42 ALA MB 2.939 . 3.976 3.327 2.878 3.766 . 0 0 "[ . 1 .]" 1
292 1 30 TRP HB3 1 31 HIS H 3.529 2.034 5.024 4.414 4.310 4.516 . 0 0 "[ . 1 .]" 1
293 1 30 TRP HB3 1 42 ALA MB 2.386 . 3.069 2.607 2.123 3.821 0.752 11 1 "[ . 1+ .]" 1
294 1 31 HIS H 1 31 HIS HA 2.884 . 3.882 2.868 2.851 2.898 . 0 0 "[ . 1 .]" 1
295 1 31 HIS H 1 31 HIS HB2 2.699 . 3.573 2.235 2.104 2.467 . 0 0 "[ . 1 .]" 1
296 1 31 HIS H 1 31 HIS HB3 2.676 . 3.535 3.073 2.528 3.560 0.025 9 0 "[ . 1 .]" 1
297 1 31 HIS H 1 34 LYS HB2 3.005 . 4.089 3.514 2.996 3.956 . 0 0 "[ . 1 .]" 1
298 1 31 HIS H 1 34 LYS QD 4.395 2.078 6.712 5.364 3.217 6.231 . 0 0 "[ . 1 .]" 1
299 1 31 HIS HA 1 31 HIS HB3 2.583 . 3.384 2.877 2.622 3.036 . 0 0 "[ . 1 .]" 1
300 1 31 HIS HA 1 33 ASP H 3.149 . 4.339 4.239 3.945 4.414 0.075 7 0 "[ . 1 .]" 1
301 1 31 HIS HA 1 35 ASN QB 3.366 2.006 4.726 4.487 4.108 4.693 . 0 0 "[ . 1 .]" 1
302 1 31 HIS HB3 1 34 LYS H 3.789 2.067 5.511 3.223 2.644 4.005 . 0 0 "[ . 1 .]" 1
303 1 32 PRO HA 1 33 ASP H 3.105 . 4.262 3.507 3.471 3.542 . 0 0 "[ . 1 .]" 1
304 1 32 PRO HA 1 34 LYS H 4.174 2.083 6.265 3.999 3.815 4.283 . 0 0 "[ . 1 .]" 1
305 1 32 PRO HB2 1 33 ASP H 3.811 2.068 5.554 3.210 3.065 3.276 . 0 0 "[ . 1 .]" 1
306 1 32 PRO HB3 1 33 ASP H 3.708 2.058 5.358 4.171 4.117 4.228 . 0 0 "[ . 1 .]" 1
307 1 32 PRO HG2 1 33 ASP H 2.985 . 4.054 2.575 2.547 2.605 . 0 0 "[ . 1 .]" 1
308 1 32 PRO HG3 1 33 ASP H 2.936 . 3.970 4.097 4.063 4.143 0.173 11 0 "[ . 1 .]" 1
309 1 33 ASP H 1 33 ASP HB3 2.700 . 3.575 2.803 2.354 3.587 0.012 3 0 "[ . 1 .]" 1
310 1 33 ASP H 1 34 LYS H 2.940 . 3.978 2.582 2.509 2.700 . 0 0 "[ . 1 .]" 1
311 1 33 ASP H 1 35 ASN H 3.886 2.074 5.698 3.955 3.701 4.224 . 0 0 "[ . 1 .]" 1
312 1 33 ASP HA 1 33 ASP HB3 2.352 . 3.016 2.679 2.374 3.026 0.010 6 0 "[ . 1 .]" 1
313 1 33 ASP HB3 1 34 LYS H 2.890 . 3.892 3.581 2.811 4.144 0.252 3 0 "[ . 1 .]" 1
314 1 34 LYS H 1 34 LYS HA 2.914 . 3.933 2.935 2.906 2.952 . 0 0 "[ . 1 .]" 1
315 1 34 LYS H 1 34 LYS HB2 3.591 2.043 5.139 2.450 2.228 2.618 . 0 0 "[ . 1 .]" 1
316 1 34 LYS H 1 34 LYS HB3 2.733 . 3.630 3.436 2.892 3.726 0.096 5 0 "[ . 1 .]" 1
317 1 34 LYS H 1 34 LYS QD 2.900 . 3.909 3.339 2.101 4.003 0.094 3 0 "[ . 1 .]" 1
318 1 34 LYS H 1 34 LYS HG2 3.293 . 4.594 4.076 2.673 4.812 0.218 3 0 "[ . 1 .]" 1
319 1 34 LYS H 1 35 ASN H 2.584 . 3.386 2.265 1.964 2.416 . 0 0 "[ . 1 .]" 1
320 1 34 LYS HA 1 34 LYS HB2 2.314 . 2.957 2.913 2.656 3.020 0.063 14 0 "[ . 1 .]" 1
321 1 34 LYS HA 1 34 LYS HB3 2.664 . 3.516 2.679 2.415 2.974 . 0 0 "[ . 1 .]" 1
322 1 34 LYS HA 1 34 LYS QD 2.445 . 3.162 2.295 1.747 3.180 0.018 15 0 "[ . 1 .]" 1
323 1 34 LYS HA 1 34 LYS HG2 2.734 . 3.631 3.482 3.040 3.668 0.037 15 0 "[ . 1 .]" 1
324 1 34 LYS HA 1 35 ASN H 3.290 . 4.589 3.241 3.024 3.549 . 0 0 "[ . 1 .]" 1
325 1 34 LYS HB2 1 34 LYS HG2 2.069 . 2.583 2.473 2.363 2.570 . 0 0 "[ . 1 .]" 1
326 1 34 LYS HB2 1 35 ASN H 3.720 2.060 5.380 3.735 2.812 4.157 . 0 0 "[ . 1 .]" 1
327 1 34 LYS HE3 1 34 LYS HG2 2.935 . 3.968 3.012 2.362 3.777 . 0 0 "[ . 1 .]" 1
328 1 35 ASN H 1 35 ASN QB 3.236 . 4.023 2.486 2.314 2.909 . 0 0 "[ . 1 .]" 1
329 1 35 ASN HA 1 36 PRO HG3 3.330 . 4.660 4.227 3.895 4.476 . 0 0 "[ . 1 .]" 1
330 1 35 ASN HA 1 37 ASP H 4.279 2.082 6.476 5.820 5.553 6.015 . 0 0 "[ . 1 .]" 1
331 1 35 ASN QB 1 42 ALA MB 2.502 . 3.253 2.758 2.224 3.127 . 0 0 "[ . 1 .]" 1
332 1 36 PRO HA 1 37 ASP H 3.479 2.026 4.932 3.342 3.260 3.449 . 0 0 "[ . 1 .]" 1
333 1 36 PRO HB2 1 37 ASP H 1.879 . 2.303 1.586 1.499 1.737 . 0 0 "[ . 1 .]" 1
334 1 36 PRO HB3 1 37 ASP H 3.523 2.033 5.013 3.221 3.167 3.305 . 0 0 "[ . 1 .]" 1
335 1 36 PRO HG2 1 37 ASP H 1.814 . 2.209 2.253 2.166 2.345 0.136 10 0 "[ . 1 .]" 1
336 1 36 PRO HG3 1 37 ASP H 3.920 2.076 5.764 3.523 3.451 3.621 . 0 0 "[ . 1 .]" 1
337 1 37 ASP H 1 37 ASP HA 2.688 . 3.555 2.920 2.896 2.936 . 0 0 "[ . 1 .]" 1
338 1 37 ASP H 1 37 ASP QB 2.589 2.060 3.393 2.366 2.262 2.535 . 0 0 "[ . 1 .]" 1
339 1 37 ASP H 1 38 ASN H 2.758 . 3.671 2.309 2.204 2.464 . 0 0 "[ . 1 .]" 1
340 1 37 ASP H 1 38 ASN HA 4.400 2.077 6.723 4.901 4.817 5.058 . 0 0 "[ . 1 .]" 1
341 1 37 ASP H 1 39 LYS HE3 4.500 2.070 6.930 5.956 4.899 7.785 0.855 15 2 "[ . - 1 +]" 1
342 1 37 ASP HA 1 37 ASP QB 2.066 . 2.578 2.387 2.317 2.444 . 0 0 "[ . 1 .]" 1
343 1 37 ASP HA 1 38 ASN H 2.713 . 3.596 3.339 3.280 3.380 . 0 0 "[ . 1 .]" 1
344 1 37 ASP QB 1 38 ASN H 2.646 . 3.486 3.265 3.203 3.313 . 0 0 "[ . 1 .]" 1
345 1 38 ASN H 1 38 ASN HA 2.899 . 3.907 2.932 2.910 2.943 . 0 0 "[ . 1 .]" 1
346 1 38 ASN H 1 38 ASN HB2 2.650 . 3.492 2.585 2.384 3.738 0.246 12 0 "[ . 1 .]" 1
347 1 38 ASN H 1 38 ASN HB3 3.242 . 4.504 3.485 2.605 3.714 . 0 0 "[ . 1 .]" 1
348 1 38 ASN H 1 39 LYS H 3.117 . 4.283 4.157 4.088 4.274 . 0 0 "[ . 1 .]" 1
349 1 38 ASN H 1 39 LYS QD 4.295 2.082 6.508 4.172 3.421 6.014 . 0 0 "[ . 1 .]" 1
350 1 38 ASN HA 1 38 ASN HB2 2.560 . 3.346 2.919 2.483 3.030 . 0 0 "[ . 1 .]" 1
351 1 38 ASN HA 1 38 ASN HB3 2.646 . 3.486 2.582 2.410 3.026 . 0 0 "[ . 1 .]" 1
352 1 38 ASN HA 1 39 LYS H 2.824 . 3.781 2.160 2.123 2.193 . 0 0 "[ . 1 .]" 1
353 1 38 ASN HA 1 40 GLU H 3.781 2.065 5.497 3.427 3.213 3.642 . 0 0 "[ . 1 .]" 1
354 1 38 ASN HB2 1 39 LYS H 4.182 2.084 6.280 4.414 3.565 4.537 . 0 0 "[ . 1 .]" 1
355 1 38 ASN HB2 1 42 ALA H 4.378 2.077 6.679 5.082 3.184 6.279 . 0 0 "[ . 1 .]" 1
356 1 38 ASN HB3 1 39 LYS H 3.683 2.055 5.311 3.922 3.762 4.380 . 0 0 "[ . 1 .]" 1
357 1 39 LYS H 1 39 LYS HA 2.972 . 4.032 2.928 2.916 2.943 . 0 0 "[ . 1 .]" 1
358 1 39 LYS H 1 39 LYS HB2 2.558 . 3.343 2.489 2.300 2.754 . 0 0 "[ . 1 .]" 1
359 1 39 LYS H 1 39 LYS QD 2.767 . 3.686 2.853 1.707 3.651 0.141 12 0 "[ . 1 .]" 1
360 1 39 LYS H 1 40 GLU H 2.579 . 3.377 2.096 1.960 2.186 . 0 0 "[ . 1 .]" 1
361 1 39 LYS HA 1 40 GLU H 2.590 . 3.395 3.437 3.380 3.468 0.073 12 0 "[ . 1 .]" 1
362 1 39 LYS HA 1 42 ALA H 2.566 . 3.356 3.205 2.983 3.407 0.051 14 0 "[ . 1 .]" 1
363 1 39 LYS HA 1 42 ALA MB 2.926 . 3.953 2.342 2.017 2.769 . 0 0 "[ . 1 .]" 1
364 1 39 LYS HB2 1 40 GLU H 2.458 . 3.183 2.980 2.781 3.231 0.048 10 0 "[ . 1 .]" 1
365 1 39 LYS QD 1 40 GLU H 4.263 2.082 6.444 4.334 3.269 4.866 . 0 0 "[ . 1 .]" 1
366 1 40 GLU H 1 40 GLU HA 2.832 . 3.795 2.795 2.755 2.837 . 0 0 "[ . 1 .]" 1
367 1 40 GLU H 1 40 GLU HB2 2.353 . 3.017 2.398 2.000 2.608 . 0 0 "[ . 1 .]" 1
368 1 40 GLU H 1 40 GLU HB3 2.378 . 3.056 2.624 2.318 3.223 0.167 12 0 "[ . 1 .]" 1
369 1 40 GLU H 1 40 GLU HG3 3.315 . 4.634 4.426 4.174 4.538 . 0 0 "[ . 1 .]" 1
370 1 40 GLU H 1 41 PHE H 2.682 . 3.545 2.739 2.608 2.917 . 0 0 "[ . 1 .]" 1
371 1 40 GLU H 1 41 PHE HB3 4.340 2.080 6.600 5.936 4.915 6.349 . 0 0 "[ . 1 .]" 1
372 1 40 GLU H 1 42 ALA H 3.578 2.042 5.114 4.013 3.871 4.245 . 0 0 "[ . 1 .]" 1
373 1 40 GLU HA 1 41 PHE H 2.746 . 3.651 3.541 3.515 3.575 . 0 0 "[ . 1 .]" 1
374 1 40 GLU HA 1 44 LYS H 3.850 2.071 5.629 4.138 3.917 4.407 . 0 0 "[ . 1 .]" 1
375 1 40 GLU HB2 1 41 PHE H 2.753 . 3.663 3.700 3.022 3.847 0.184 8 0 "[ . 1 .]" 1
376 1 40 GLU HB3 1 41 PHE H 2.779 . 3.706 2.487 2.391 2.830 . 0 0 "[ . 1 .]" 1
377 1 40 GLU HG3 1 41 PHE H 3.650 2.051 5.249 4.518 3.238 5.038 . 0 0 "[ . 1 .]" 1
378 1 41 PHE H 1 41 PHE HA 2.823 . 3.779 2.836 2.803 2.852 . 0 0 "[ . 1 .]" 1
379 1 41 PHE H 1 41 PHE HB2 2.726 . 3.618 2.743 2.256 3.651 0.033 10 0 "[ . 1 .]" 1
380 1 41 PHE H 1 41 PHE HB3 2.767 . 3.686 3.271 2.341 3.606 . 0 0 "[ . 1 .]" 1
381 1 41 PHE H 1 41 PHE HD1 4.419 2.075 6.763 3.422 2.123 4.925 . 0 0 "[ . 1 .]" 1
382 1 41 PHE H 1 41 PHE HE1 3.799 2.067 5.531 5.196 4.327 6.472 0.941 11 2 "[ . -+ .]" 1
383 1 41 PHE H 1 42 ALA MB 3.779 2.065 5.493 4.252 4.157 4.383 . 0 0 "[ . 1 .]" 1
384 1 41 PHE HA 1 41 PHE HB2 2.838 . 3.805 2.829 2.294 3.027 . 0 0 "[ . 1 .]" 1
385 1 41 PHE HA 1 41 PHE HB3 1.981 . 2.452 2.530 2.459 2.632 0.180 14 0 "[ . 1 .]" 1
386 1 41 PHE HA 1 42 ALA H 3.743 2.062 5.424 3.516 3.492 3.540 . 0 0 "[ . 1 .]" 1
387 1 41 PHE HA 1 44 LYS H 2.629 . 3.458 3.416 3.127 3.542 0.084 2 0 "[ . 1 .]" 1
388 1 41 PHE HA 1 44 LYS HB3 3.018 . 4.111 3.437 2.153 4.487 0.376 14 0 "[ . 1 .]" 1
389 1 41 PHE HB2 1 42 ALA H 2.944 . 3.984 3.125 2.604 4.147 0.163 14 0 "[ . 1 .]" 1
390 1 41 PHE HB3 1 42 ALA H 3.246 . 4.510 3.720 3.423 3.931 . 0 0 "[ . 1 .]" 1
391 1 42 ALA H 1 42 ALA HA 2.731 . 3.626 2.815 2.802 2.837 . 0 0 "[ . 1 .]" 1
392 1 42 ALA H 1 42 ALA MB 2.596 . 3.405 2.219 2.178 2.249 . 0 0 "[ . 1 .]" 1
393 1 42 ALA H 1 43 GLU H 2.887 . 3.887 2.721 2.651 2.768 . 0 0 "[ . 1 .]" 1
394 1 42 ALA H 1 44 LYS H 3.642 2.050 5.234 4.020 3.864 4.208 . 0 0 "[ . 1 .]" 1
395 1 42 ALA HA 1 42 ALA MB 2.090 . 2.614 2.125 2.119 2.135 . 0 0 "[ . 1 .]" 1
396 1 42 ALA HA 1 45 LYS H 3.165 . 4.367 3.607 3.418 3.769 . 0 0 "[ . 1 .]" 1
397 1 42 ALA HA 1 45 LYS HG3 2.987 . 4.057 4.272 3.712 4.675 0.618 2 3 "[ + *. 1- .]" 1
398 1 42 ALA MB 1 43 GLU H 4.060 2.082 6.038 2.511 2.465 2.587 . 0 0 "[ . 1 .]" 1
399 1 43 GLU H 1 43 GLU HA 2.629 . 3.458 2.843 2.831 2.855 . 0 0 "[ . 1 .]" 1
400 1 43 GLU H 1 43 GLU HB3 2.198 . 2.778 2.784 2.556 3.597 0.819 15 2 "[ - . 1 +]" 1
401 1 43 GLU H 1 43 GLU QG 2.283 . 2.908 2.104 1.850 2.446 0.097 2 0 "[ . 1 .]" 1
402 1 43 GLU H 1 44 LYS H 2.937 . 3.972 2.581 2.534 2.639 . 0 0 "[ . 1 .]" 1
403 1 43 GLU H 1 45 LYS H 3.799 2.067 5.531 4.154 3.978 4.241 . 0 0 "[ . 1 .]" 1
404 1 43 GLU H 1 46 PHE HB2 4.120 2.083 6.157 5.316 5.003 5.582 . 0 0 "[ . 1 .]" 1
405 1 43 GLU HA 1 46 PHE H 3.205 . 4.438 3.325 3.048 3.655 . 0 0 "[ . 1 .]" 1
406 1 43 GLU HB3 1 44 LYS H 3.639 2.050 5.228 3.979 3.738 4.071 . 0 0 "[ . 1 .]" 1
407 1 43 GLU QG 1 44 LYS H 2.690 2.055 3.558 2.343 1.895 3.612 0.160 12 0 "[ . 1 .]" 1
408 1 44 LYS H 1 44 LYS HA 2.557 . 3.342 2.811 2.770 2.844 . 0 0 "[ . 1 .]" 1
409 1 44 LYS H 1 44 LYS HB3 2.513 . 3.271 3.239 2.316 3.610 0.339 2 0 "[ . 1 .]" 1
410 1 44 LYS H 1 44 LYS QD 3.093 . 4.241 3.831 2.395 4.327 0.086 1 0 "[ . 1 .]" 1
411 1 44 LYS H 1 44 LYS HG3 4.097 2.083 6.111 3.671 2.324 4.565 . 0 0 "[ . 1 .]" 1
412 1 44 LYS H 1 45 LYS H 2.748 . 3.654 2.708 2.604 2.815 . 0 0 "[ . 1 .]" 1
413 1 44 LYS H 1 45 LYS HB3 5.190 . 8.422 6.248 6.129 6.342 . 0 0 "[ . 1 .]" 1
414 1 44 LYS H 1 45 LYS HG3 4.419 2.075 6.763 6.303 6.189 6.473 . 0 0 "[ . 1 .]" 1
415 1 44 LYS H 1 46 PHE H 4.134 2.083 6.185 4.014 3.935 4.108 . 0 0 "[ . 1 .]" 1
416 1 44 LYS HA 1 44 LYS HB3 2.504 . 3.256 2.762 2.495 3.027 . 0 0 "[ . 1 .]" 1
417 1 44 LYS HA 1 45 LYS H 3.168 . 4.372 3.547 3.516 3.565 . 0 0 "[ . 1 .]" 1
418 1 44 LYS HA 1 47 LYS H 2.683 . 3.547 3.378 3.068 3.593 0.046 4 0 "[ . 1 .]" 1
419 1 44 LYS HA 1 48 GLU H 3.152 . 4.344 4.154 4.047 4.359 0.015 7 0 "[ . 1 .]" 1
420 1 44 LYS HB3 1 44 LYS HG3 2.446 . 3.164 2.702 2.388 3.014 . 0 0 "[ . 1 .]" 1
421 1 44 LYS HB3 1 45 LYS H 2.804 . 3.747 3.053 2.480 3.729 . 0 0 "[ . 1 .]" 1
422 1 45 LYS H 1 45 LYS HB3 3.637 2.049 5.225 3.590 3.562 3.617 . 0 0 "[ . 1 .]" 1
423 1 45 LYS H 1 45 LYS HG3 2.876 . 3.868 3.886 3.776 3.961 0.093 14 0 "[ . 1 .]" 1
424 1 45 LYS H 1 46 PHE H 1.996 . 2.474 2.544 2.503 2.568 0.094 3 0 "[ . 1 .]" 1
425 1 45 LYS HA 1 45 LYS HB2 2.366 . 3.038 3.015 3.001 3.025 . 0 0 "[ . 1 .]" 1
426 1 45 LYS HA 1 45 LYS HB3 2.214 . 2.802 2.535 2.480 2.576 . 0 0 "[ . 1 .]" 1
427 1 45 LYS HA 1 45 LYS HD2 1.946 . 2.400 2.561 2.516 2.597 0.197 7 0 "[ . 1 .]" 1
428 1 45 LYS HA 1 45 LYS HD3 2.012 . 2.498 1.874 1.730 2.039 . 0 0 "[ . 1 .]" 1
429 1 45 LYS HA 1 45 LYS HE2 3.281 . 4.573 4.208 4.058 4.357 . 0 0 "[ . 1 .]" 1
430 1 45 LYS HA 1 45 LYS HE3 3.183 . 4.399 4.498 4.254 4.622 0.223 12 0 "[ . 1 .]" 1
431 1 45 LYS HA 1 45 LYS HG2 3.431 2.019 4.843 3.081 2.967 3.216 . 0 0 "[ . 1 .]" 1
432 1 45 LYS HA 1 45 LYS HG3 3.012 . 4.101 3.637 3.600 3.693 . 0 0 "[ . 1 .]" 1
433 1 45 LYS HA 1 46 PHE H 2.659 . 3.508 3.504 3.489 3.517 0.009 4 0 "[ . 1 .]" 1
434 1 45 LYS HA 1 48 GLU H 3.279 . 4.569 3.229 2.949 3.510 . 0 0 "[ . 1 .]" 1
435 1 45 LYS HB2 1 45 LYS HG2 2.653 . 3.497 2.384 2.350 2.407 . 0 0 "[ . 1 .]" 1
436 1 45 LYS HB2 1 46 PHE H 3.544 2.037 5.051 2.763 2.637 2.835 . 0 0 "[ . 1 .]" 1
437 1 45 LYS HB3 1 45 LYS HG2 2.491 . 3.235 3.005 2.995 3.012 . 0 0 "[ . 1 .]" 1
438 1 45 LYS HB3 1 45 LYS HG3 2.729 . 3.623 2.374 2.340 2.395 . 0 0 "[ . 1 .]" 1
439 1 45 LYS HB3 1 46 PHE H 3.223 . 4.470 3.637 3.489 3.752 . 0 0 "[ . 1 .]" 1
440 1 45 LYS HD2 1 45 LYS HE2 2.408 . 3.104 2.893 2.427 3.007 . 0 0 "[ . 1 .]" 1
441 1 45 LYS HD2 1 45 LYS HE3 2.153 . 2.709 2.550 2.380 3.008 0.299 7 0 "[ . 1 .]" 1
442 1 45 LYS HD2 1 45 LYS HG2 2.306 . 2.944 3.005 2.999 3.010 0.066 11 0 "[ . 1 .]" 1
443 1 45 LYS HD2 1 45 LYS HG3 1.897 . 2.329 2.477 2.413 2.525 0.196 13 0 "[ . 1 .]" 1
444 1 45 LYS HD3 1 45 LYS HE2 2.513 . 3.271 2.439 2.381 2.500 . 0 0 "[ . 1 .]" 1
445 1 45 LYS HD3 1 45 LYS HE3 2.303 . 2.940 2.894 2.415 3.012 0.072 8 0 "[ . 1 .]" 1
446 1 45 LYS HD3 1 45 LYS HG3 2.864 . 3.848 3.000 2.997 3.003 . 0 0 "[ . 1 .]" 1
447 1 45 LYS HE2 1 45 LYS HG2 3.695 2.057 5.333 2.785 2.431 3.756 . 0 0 "[ . 1 .]" 1
448 1 45 LYS HE2 1 45 LYS HG3 2.769 . 3.689 3.137 2.888 3.747 0.058 6 0 "[ . 1 .]" 1
449 1 45 LYS HE3 1 45 LYS HG2 3.596 2.044 5.148 3.032 2.478 3.243 . 0 0 "[ . 1 .]" 1
450 1 45 LYS HE3 1 45 LYS HG3 2.300 . 2.935 2.605 2.401 3.087 0.152 9 0 "[ . 1 .]" 1
451 1 46 PHE H 1 46 PHE HA 2.514 . 3.272 2.816 2.797 2.842 . 0 0 "[ . 1 .]" 1
452 1 46 PHE H 1 46 PHE HB2 2.508 . 3.263 2.535 2.396 2.659 . 0 0 "[ . 1 .]" 1
453 1 46 PHE H 1 46 PHE HB3 2.813 . 3.762 2.532 2.412 2.686 . 0 0 "[ . 1 .]" 1
454 1 46 PHE H 1 47 LYS H 2.998 . 4.076 2.663 2.577 2.828 . 0 0 "[ . 1 .]" 1
455 1 46 PHE H 1 47 LYS HB3 3.947 2.077 5.817 5.448 4.607 6.240 0.423 7 0 "[ . 1 .]" 1
456 1 46 PHE H 1 48 GLU H 3.589 2.044 5.134 4.104 3.869 4.223 . 0 0 "[ . 1 .]" 1
457 1 46 PHE HA 1 46 PHE HB2 2.944 . 3.984 2.466 2.396 2.538 . 0 0 "[ . 1 .]" 1
458 1 46 PHE HA 1 46 PHE HB3 2.491 . 3.235 3.028 3.022 3.034 . 0 0 "[ . 1 .]" 1
459 1 46 PHE HA 1 49 VAL H 3.005 . 4.089 3.663 3.427 3.973 . 0 0 "[ . 1 .]" 1
460 1 46 PHE HB2 1 47 LYS H 3.091 . 4.237 3.874 3.773 3.928 . 0 0 "[ . 1 .]" 1
461 1 46 PHE HB3 1 47 LYS H 3.276 . 4.564 2.601 2.517 2.649 . 0 0 "[ . 1 .]" 1
462 1 47 LYS H 1 47 LYS HA 2.571 . 3.364 2.827 2.791 2.840 . 0 0 "[ . 1 .]" 1
463 1 47 LYS H 1 47 LYS HB3 2.496 . 3.244 2.971 2.139 3.608 0.364 3 0 "[ . 1 .]" 1
464 1 47 LYS H 1 47 LYS QD 3.786 2.066 5.506 4.016 2.583 4.525 . 0 0 "[ . 1 .]" 1
465 1 47 LYS H 1 47 LYS HG3 3.928 2.076 5.780 3.609 2.208 4.526 . 0 0 "[ . 1 .]" 1
466 1 47 LYS H 1 48 GLU H 2.791 . 3.726 2.649 2.555 2.771 . 0 0 "[ . 1 .]" 1
467 1 47 LYS H 1 48 GLU HG3 3.870 2.073 5.667 5.041 4.181 5.887 0.220 15 0 "[ . 1 .]" 1
468 1 47 LYS QD 1 48 GLU H 3.723 2.060 5.386 4.567 3.727 5.141 . 0 0 "[ . 1 .]" 1
469 1 48 GLU H 1 48 GLU HA 2.557 . 3.341 2.820 2.808 2.849 . 0 0 "[ . 1 .]" 1
470 1 48 GLU H 1 48 GLU HB3 2.561 . 3.348 3.348 2.603 3.618 0.270 13 0 "[ . 1 .]" 1
471 1 48 GLU H 1 48 GLU HG3 2.567 . 3.358 2.904 1.956 3.641 0.283 15 0 "[ . 1 .]" 1
472 1 48 GLU H 1 49 VAL H 2.894 . 3.899 2.710 2.645 2.745 . 0 0 "[ . 1 .]" 1
473 1 48 GLU H 1 49 VAL MG1 4.773 2.039 7.507 3.887 3.757 4.058 . 0 0 "[ . 1 .]" 1
474 1 48 GLU H 1 50 ALA H 4.108 2.083 6.133 4.081 3.953 4.236 . 0 0 "[ . 1 .]" 1
475 1 48 GLU HA 1 49 VAL H 3.609 2.046 5.172 3.559 3.543 3.577 . 0 0 "[ . 1 .]" 1
476 1 48 GLU HA 1 51 GLU H 3.777 2.065 5.489 3.773 3.385 4.035 . 0 0 "[ . 1 .]" 1
477 1 48 GLU HB3 1 49 VAL H 3.117 . 4.283 3.700 3.424 4.078 . 0 0 "[ . 1 .]" 1
478 1 49 VAL H 1 49 VAL HB 2.534 . 3.305 2.695 2.583 2.826 . 0 0 "[ . 1 .]" 1
479 1 49 VAL H 1 49 VAL MG1 2.413 . 3.112 2.002 1.875 2.161 . 0 0 "[ . 1 .]" 1
480 1 49 VAL H 1 49 VAL MG2 3.402 2.014 4.790 3.800 3.782 3.812 . 0 0 "[ . 1 .]" 1
481 1 49 VAL H 1 50 ALA H 2.819 . 3.773 2.583 2.540 2.660 . 0 0 "[ . 1 .]" 1
482 1 49 VAL H 1 50 ALA MB 3.662 2.053 5.271 4.268 4.217 4.346 . 0 0 "[ . 1 .]" 1
483 1 49 VAL HA 1 49 VAL MG1 3.084 . 4.226 3.213 3.199 3.224 . 0 0 "[ . 1 .]" 1
484 1 49 VAL HA 1 49 VAL MG2 2.200 . 2.781 2.329 2.230 2.386 . 0 0 "[ . 1 .]" 1
485 1 49 VAL HA 1 50 ALA H 3.915 2.076 5.754 3.529 3.519 3.538 . 0 0 "[ . 1 .]" 1
486 1 49 VAL HA 1 52 ALA H 3.137 . 4.318 3.440 3.289 3.542 . 0 0 "[ . 1 .]" 1
487 1 49 VAL HA 1 52 ALA MB 2.996 . 4.073 2.569 2.363 2.766 . 0 0 "[ . 1 .]" 1
488 1 49 VAL HB 1 49 VAL MG1 2.200 . 2.781 2.123 2.110 2.130 . 0 0 "[ . 1 .]" 1
489 1 49 VAL HB 1 49 VAL MG2 1.964 . 2.427 2.120 2.112 2.126 . 0 0 "[ . 1 .]" 1
490 1 49 VAL HB 1 50 ALA H 4.080 2.082 6.078 4.042 3.975 4.149 . 0 0 "[ . 1 .]" 1
491 1 49 VAL MG1 1 50 ALA H 2.013 . 2.499 2.228 2.195 2.280 . 0 0 "[ . 1 .]" 1
492 1 49 VAL MG2 1 50 ALA H 4.615 2.059 7.171 3.634 3.541 3.780 . 0 0 "[ . 1 .]" 1
493 1 49 VAL MG2 1 53 TYR H 2.959 . 4.009 3.531 3.290 3.633 . 0 0 "[ . 1 .]" 1
494 1 49 VAL MG2 1 53 TYR HB3 2.486 . 3.228 2.652 2.525 2.826 . 0 0 "[ . 1 .]" 1
495 1 50 ALA H 1 50 ALA HA 2.788 . 3.720 2.804 2.784 2.819 . 0 0 "[ . 1 .]" 1
496 1 50 ALA H 1 50 ALA MB 2.568 . 3.360 2.225 2.217 2.237 . 0 0 "[ . 1 .]" 1
497 1 50 ALA H 1 51 GLU H 2.745 . 3.649 2.766 2.703 2.841 . 0 0 "[ . 1 .]" 1
498 1 50 ALA HA 1 50 ALA MB 2.158 . 2.717 2.123 2.111 2.130 . 0 0 "[ . 1 .]" 1
499 1 50 ALA HA 1 51 GLU H 2.852 . 3.828 3.562 3.547 3.576 . 0 0 "[ . 1 .]" 1
500 1 50 ALA HA 1 53 TYR H 3.665 2.054 5.276 3.919 3.725 4.078 . 0 0 "[ . 1 .]" 1
501 1 50 ALA HA 1 53 TYR HB2 3.974 2.079 5.869 5.137 4.498 5.378 . 0 0 "[ . 1 .]" 1
502 1 50 ALA HA 1 53 TYR HB3 2.853 . 3.829 3.582 2.970 3.872 0.043 2 0 "[ . 1 .]" 1
503 1 50 ALA MB 1 51 GLU H 2.800 . 3.741 2.451 2.403 2.508 . 0 0 "[ . 1 .]" 1
504 1 50 ALA MB 1 54 GLU H 4.248 2.082 6.414 4.816 4.744 4.906 . 0 0 "[ . 1 .]" 1
505 1 51 GLU H 1 51 GLU HA 2.546 . 3.324 2.854 2.848 2.859 . 0 0 "[ . 1 .]" 1
506 1 51 GLU H 1 51 GLU HB3 2.302 . 2.938 2.635 2.590 2.669 . 0 0 "[ . 1 .]" 1
507 1 51 GLU H 1 51 GLU HG2 2.259 . 2.871 2.089 1.911 2.281 . 0 0 "[ . 1 .]" 1
508 1 51 GLU H 1 51 GLU HG3 2.452 . 3.174 3.219 3.197 3.247 0.073 8 0 "[ . 1 .]" 1
509 1 51 GLU H 1 52 ALA H 3.009 . 4.095 2.515 2.468 2.557 . 0 0 "[ . 1 .]" 1
510 1 51 GLU HA 1 51 GLU HB3 2.976 . 4.039 2.444 2.415 2.471 . 0 0 "[ . 1 .]" 1
511 1 51 GLU HA 1 51 GLU HG2 2.814 . 3.764 3.764 3.680 3.833 0.069 8 0 "[ . 1 .]" 1
512 1 51 GLU HA 1 51 GLU HG3 2.912 . 3.930 3.752 3.685 3.821 . 0 0 "[ . 1 .]" 1
513 1 51 GLU HA 1 52 ALA H 2.824 . 3.781 3.509 3.482 3.528 . 0 0 "[ . 1 .]" 1
514 1 51 GLU HA 1 54 GLU H 3.297 . 4.601 3.727 3.490 3.898 . 0 0 "[ . 1 .]" 1
515 1 51 GLU HA 1 54 GLU HB3 2.644 . 3.483 3.020 2.496 4.231 0.748 13 1 "[ . 1 + .]" 1
516 1 51 GLU HB3 1 52 ALA H 3.375 2.008 4.742 3.932 3.867 3.986 . 0 0 "[ . 1 .]" 1
517 1 51 GLU HG2 1 52 ALA H 2.489 . 3.233 2.587 2.443 2.703 . 0 0 "[ . 1 .]" 1
518 1 51 GLU HG2 1 52 ALA MB 2.794 . 3.731 3.603 3.560 3.650 . 0 0 "[ . 1 .]" 1
519 1 51 GLU HG3 1 52 ALA H 4.011 2.081 5.941 2.272 2.136 2.426 . 0 0 "[ . 1 .]" 1
520 1 51 GLU HG3 1 52 ALA MB 2.206 . 2.790 2.759 2.711 2.830 0.040 2 0 "[ . 1 .]" 1
521 1 52 ALA H 1 52 ALA MB 2.749 . 3.656 2.213 2.185 2.235 . 0 0 "[ . 1 .]" 1
522 1 52 ALA H 1 53 TYR H 3.068 . 4.198 2.586 2.550 2.649 . 0 0 "[ . 1 .]" 1
523 1 52 ALA H 1 54 GLU H 3.842 2.071 5.613 3.928 3.745 4.058 . 0 0 "[ . 1 .]" 1
524 1 52 ALA HA 1 52 ALA MB 2.416 . 3.116 2.117 2.112 2.123 . 0 0 "[ . 1 .]" 1
525 1 52 ALA MB 1 53 TYR H 3.032 . 4.135 2.578 2.508 2.658 . 0 0 "[ . 1 .]" 1
526 1 53 TYR H 1 53 TYR HB2 2.784 . 3.714 3.294 2.861 3.566 . 0 0 "[ . 1 .]" 1
527 1 53 TYR H 1 53 TYR HB3 2.906 . 3.919 2.175 2.084 2.299 . 0 0 "[ . 1 .]" 1
528 1 53 TYR H 1 53 TYR HD1 4.589 2.062 7.116 4.373 2.910 5.175 . 0 0 "[ . 1 .]" 1
529 1 53 TYR H 1 54 GLU H 1.993 . 2.470 2.514 2.473 2.555 0.085 2 0 "[ . 1 .]" 1
530 1 53 TYR H 1 54 GLU HB3 4.199 2.083 6.315 4.915 4.444 5.949 . 0 0 "[ . 1 .]" 1
531 1 53 TYR HA 1 53 TYR HB2 2.138 . 2.687 2.264 2.234 2.335 . 0 0 "[ . 1 .]" 1
532 1 53 TYR HA 1 53 TYR HB3 2.763 . 3.679 2.845 2.640 3.008 . 0 0 "[ . 1 .]" 1
533 1 53 TYR HA 1 54 GLU H 3.367 2.007 4.727 3.514 3.487 3.545 . 0 0 "[ . 1 .]" 1
534 1 53 TYR HA 1 56 LEU QB 2.392 . 3.079 2.725 2.366 3.054 . 0 0 "[ . 1 .]" 1
535 1 53 TYR HB2 1 54 GLU H 3.279 . 4.569 4.177 4.101 4.237 . 0 0 "[ . 1 .]" 1
536 1 53 TYR HB2 1 56 LEU H 4.550 2.066 7.034 5.611 5.294 5.856 . 0 0 "[ . 1 .]" 1
537 1 53 TYR HB3 1 54 GLU H 3.265 . 4.545 3.278 2.898 3.696 . 0 0 "[ . 1 .]" 1
538 1 53 TYR HD1 1 54 GLU H 3.846 2.071 5.621 4.148 2.625 5.437 . 0 0 "[ . 1 .]" 1
539 1 53 TYR HE2 1 54 GLU H 3.933 2.076 5.790 5.109 4.287 5.826 0.036 12 0 "[ . 1 .]" 1
540 1 54 GLU H 1 54 GLU HA 2.969 . 4.027 2.806 2.779 2.843 . 0 0 "[ . 1 .]" 1
541 1 54 GLU H 1 54 GLU HB3 2.424 . 3.129 2.688 2.278 3.524 0.395 13 0 "[ . 1 .]" 1
542 1 54 GLU H 1 54 GLU HG3 3.384 2.010 4.758 4.358 3.037 4.554 . 0 0 "[ . 1 .]" 1
543 1 54 GLU H 1 55 VAL H 3.024 . 4.122 2.766 2.611 2.848 . 0 0 "[ . 1 .]" 1
544 1 54 GLU HA 1 54 GLU HB3 2.432 . 3.142 2.988 2.689 3.028 . 0 0 "[ . 1 .]" 1
545 1 54 GLU HA 1 54 GLU HG2 3.384 2.010 4.758 3.062 2.209 3.870 . 0 0 "[ . 1 .]" 1
546 1 54 GLU HA 1 54 GLU HG3 2.958 . 4.008 3.037 2.509 3.624 . 0 0 "[ . 1 .]" 1
547 1 54 GLU HA 1 57 SER H 4.475 2.072 6.878 3.741 3.442 4.186 . 0 0 "[ . 1 .]" 1
548 1 54 GLU HB3 1 55 VAL H 3.024 . 4.122 2.523 2.343 3.069 . 0 0 "[ . 1 .]" 1
549 1 55 VAL H 1 55 VAL HA 2.998 . 4.076 2.832 2.808 2.851 . 0 0 "[ . 1 .]" 1
550 1 55 VAL H 1 55 VAL HB 2.840 . 3.808 2.675 2.536 3.634 . 0 0 "[ . 1 .]" 1
551 1 55 VAL H 1 55 VAL QG 2.846 2.064 3.818 2.049 1.810 2.159 0.254 1 0 "[ . 1 .]" 1
552 1 55 VAL H 1 56 LEU H 2.976 . 4.039 2.648 2.579 2.738 . 0 0 "[ . 1 .]" 1
553 1 55 VAL HA 1 55 VAL QG 2.944 . 3.984 2.283 2.136 2.321 . 0 0 "[ . 1 .]" 1
554 1 55 VAL HA 1 56 LEU H 3.618 2.047 5.189 3.539 3.519 3.559 . 0 0 "[ . 1 .]" 1
555 1 55 VAL HA 1 58 ASP H 3.233 . 4.487 3.741 3.534 3.975 . 0 0 "[ . 1 .]" 1
556 1 55 VAL HB 1 56 LEU H 2.996 . 4.073 3.879 2.563 4.057 . 0 0 "[ . 1 .]" 1
557 1 55 VAL QG 1 56 LEU H 4.283 2.081 6.485 2.219 2.034 3.201 0.047 11 0 "[ . 1 .]" 1
558 1 55 VAL QG 1 62 ARG HA 2.904 . 3.916 2.623 1.865 3.505 0.027 12 0 "[ . 1 .]" 1
559 1 55 VAL QG 1 65 TYR HB2 2.604 . 3.418 2.301 1.868 2.813 . 0 0 "[ . 1 .]" 1
560 1 56 LEU H 1 56 LEU QB 2.675 . 3.534 2.251 2.154 2.517 . 0 0 "[ . 1 .]" 1
561 1 56 LEU H 1 56 LEU MD1 4.355 2.079 6.631 4.087 3.467 4.333 . 0 0 "[ . 1 .]" 1
562 1 56 LEU H 1 56 LEU MD2 3.835 2.071 5.599 4.118 3.399 4.324 . 0 0 "[ . 1 .]" 1
563 1 56 LEU HA 1 56 LEU QB 3.284 . 4.111 2.370 2.314 2.468 . 0 0 "[ . 1 .]" 1
564 1 56 LEU HA 1 56 LEU MD1 3.283 . 4.576 2.711 1.969 3.902 0.021 6 0 "[ . 1 .]" 1
565 1 56 LEU HA 1 56 LEU MD2 3.266 . 4.546 3.145 1.717 3.917 0.269 9 0 "[ . 1 .]" 1
566 1 56 LEU HA 1 56 LEU HG 2.662 . 3.512 3.142 2.503 3.677 0.165 15 0 "[ . 1 .]" 1
567 1 56 LEU HA 1 57 SER H 2.772 . 3.694 3.470 3.391 3.501 . 0 0 "[ . 1 .]" 1
568 1 56 LEU HA 1 58 ASP H 2.856 . 3.834 3.925 3.830 3.986 0.152 4 0 "[ . 1 .]" 1
569 1 56 LEU QB 1 56 LEU MD1 2.876 . 3.726 2.242 2.052 2.370 . 0 0 "[ . 1 .]" 1
570 1 56 LEU QB 1 56 LEU MD2 2.145 . 2.697 2.195 2.084 2.466 . 0 0 "[ . 1 .]" 1
571 1 56 LEU QB 1 57 SER H 3.589 2.083 5.135 2.950 2.874 3.137 . 0 0 "[ . 1 .]" 1
572 1 56 LEU MD1 1 56 LEU MD2 3.247 . 4.513 2.074 2.051 2.083 . 0 0 "[ . 1 .]" 1
573 1 56 LEU MD1 1 56 LEU HG 2.695 . 3.567 2.122 2.118 2.129 . 0 0 "[ . 1 .]" 1
574 1 56 LEU MD2 1 56 LEU HG 2.266 . 2.882 2.120 2.104 2.132 . 0 0 "[ . 1 .]" 1
575 1 57 SER H 1 57 SER HB3 2.517 . 3.277 2.899 2.418 3.639 0.362 6 0 "[ . 1 .]" 1
576 1 57 SER H 1 58 ASP H 2.870 . 3.859 2.423 2.339 2.487 . 0 0 "[ . 1 .]" 1
577 1 57 SER HA 1 58 ASP H 3.331 . 4.662 3.419 3.382 3.445 . 0 0 "[ . 1 .]" 1
578 1 57 SER HB3 1 58 ASP H 2.507 . 3.261 3.478 3.065 4.152 0.891 10 5 "[ **- + * .]" 1
579 1 58 ASP H 1 58 ASP HB2 2.823 . 3.779 2.916 2.435 3.112 . 0 0 "[ . 1 .]" 1
580 1 58 ASP H 1 58 ASP HB3 2.747 . 3.653 2.777 2.514 3.730 0.077 14 0 "[ . 1 .]" 1
581 1 58 ASP H 1 61 LYS QB 3.066 . 4.194 3.470 3.160 3.771 . 0 0 "[ . 1 .]" 1
582 1 58 ASP H 1 62 ARG H 4.001 2.080 5.922 4.552 4.216 4.989 . 0 0 "[ . 1 .]" 1
583 1 58 ASP H 1 62 ARG QG 3.028 . 4.129 3.779 3.463 4.142 0.013 12 0 "[ . 1 .]" 1
584 1 58 ASP HA 1 58 ASP HB2 2.446 . 3.164 2.546 2.408 3.025 . 0 0 "[ . 1 .]" 1
585 1 58 ASP HA 1 58 ASP HB3 2.775 . 3.699 2.959 2.504 3.029 . 0 0 "[ . 1 .]" 1
586 1 58 ASP HA 1 61 LYS H 4.225 2.083 6.367 4.438 3.925 4.617 . 0 0 "[ . 1 .]" 1
587 1 58 ASP HB2 1 59 LYS H 4.918 2.016 7.820 4.227 4.032 4.345 . 0 0 "[ . 1 .]" 1
588 1 58 ASP HB3 1 59 LYS H 3.994 2.080 5.908 4.042 3.360 4.247 . 0 0 "[ . 1 .]" 1
589 1 58 ASP HB3 1 60 HIS H 3.755 2.063 5.447 4.022 2.930 4.393 . 0 0 "[ . 1 .]" 1
590 1 59 LYS H 1 59 LYS QB 2.623 . 3.449 2.422 2.021 2.751 . 0 0 "[ . 1 .]" 1
591 1 59 LYS H 1 59 LYS QD 2.647 . 3.488 2.120 1.254 3.569 0.552 15 1 "[ . 1 +]" 1
592 1 59 LYS H 1 59 LYS HG3 3.765 2.064 5.466 3.412 1.612 4.566 0.452 8 0 "[ . 1 .]" 1
593 1 59 LYS H 1 60 HIS H 2.561 . 3.348 2.562 2.345 2.718 . 0 0 "[ . 1 .]" 1
594 1 59 LYS HA 1 60 HIS H 3.449 2.022 4.876 3.487 3.432 3.521 . 0 0 "[ . 1 .]" 1
595 1 59 LYS HA 1 63 GLU H 3.967 2.079 5.855 4.323 4.069 4.781 . 0 0 "[ . 1 .]" 1
596 1 59 LYS QB 1 60 HIS H 2.534 . 3.304 3.003 2.649 3.381 0.077 2 0 "[ . 1 .]" 1
597 1 59 LYS QD 1 60 HIS H 2.721 . 3.609 2.845 1.709 3.732 0.124 9 0 "[ . 1 .]" 1
598 1 59 LYS HG3 1 60 HIS H 3.474 2.026 4.922 4.342 2.680 4.976 0.054 11 0 "[ . 1 .]" 1
599 1 60 HIS H 1 60 HIS HB3 2.443 . 3.159 3.141 2.496 3.652 0.493 11 0 "[ . 1 .]" 1
600 1 60 HIS H 1 61 LYS H 2.740 . 3.641 2.586 2.516 2.682 . 0 0 "[ . 1 .]" 1
601 1 60 HIS H 1 62 ARG H 3.601 2.045 5.157 4.003 3.768 4.261 . 0 0 "[ . 1 .]" 1
602 1 60 HIS HA 1 60 HIS HB3 2.491 . 3.235 2.729 2.389 3.030 . 0 0 "[ . 1 .]" 1
603 1 60 HIS HA 1 61 LYS H 3.744 2.062 5.426 3.533 3.506 3.567 . 0 0 "[ . 1 .]" 1
604 1 60 HIS HA 1 63 GLU H 3.698 2.057 5.339 3.465 3.132 3.938 . 0 0 "[ . 1 .]" 1
605 1 60 HIS HA 1 63 GLU HG3 2.604 . 3.418 3.246 2.449 3.920 0.502 9 1 "[ . +1 .]" 1
606 1 60 HIS HB3 1 61 LYS H 2.843 . 3.813 3.174 2.589 3.763 . 0 0 "[ . 1 .]" 1
607 1 61 LYS H 1 61 LYS QB 2.579 . 3.377 2.288 2.057 2.585 . 0 0 "[ . 1 .]" 1
608 1 61 LYS H 1 61 LYS HD3 3.479 2.026 4.932 3.955 2.500 5.901 0.969 12 2 "[ - . 1 + .]" 1
609 1 61 LYS H 1 61 LYS QE 3.249 . 4.516 3.713 2.663 4.337 . 0 0 "[ . 1 .]" 1
610 1 61 LYS H 1 61 LYS HG3 3.411 2.015 4.807 3.981 2.576 4.560 . 0 0 "[ . 1 .]" 1
611 1 61 LYS H 1 62 ARG H 3.107 . 4.265 2.642 2.502 2.748 . 0 0 "[ . 1 .]" 1
612 1 61 LYS H 1 62 ARG QG 3.651 2.051 5.251 4.430 3.784 4.881 . 0 0 "[ . 1 .]" 1
613 1 61 LYS H 1 63 GLU H 3.290 . 4.589 4.223 4.002 4.529 . 0 0 "[ . 1 .]" 1
614 1 61 LYS HA 1 61 LYS QB 2.310 . 2.950 2.427 2.324 2.538 . 0 0 "[ . 1 .]" 1
615 1 61 LYS HA 1 61 LYS HG3 2.648 . 3.489 2.952 2.321 3.826 0.337 8 0 "[ . 1 .]" 1
616 1 61 LYS HA 1 62 ARG H 3.226 . 4.475 3.527 3.505 3.554 . 0 0 "[ . 1 .]" 1
617 1 61 LYS HA 1 64 ILE HB 2.052 . 2.557 2.543 2.262 2.650 0.093 13 0 "[ . 1 .]" 1
618 1 61 LYS QB 1 62 ARG H 2.463 . 3.191 2.654 2.474 2.772 . 0 0 "[ . 1 .]" 1
619 1 61 LYS QE 1 61 LYS HG3 2.723 . 3.613 2.973 2.388 3.476 . 0 0 "[ . 1 .]" 1
620 1 62 ARG H 1 62 ARG HB3 3.024 . 4.122 3.455 2.671 3.633 . 0 0 "[ . 1 .]" 1
621 1 62 ARG H 1 62 ARG HD3 4.182 2.084 6.280 4.637 3.944 5.113 . 0 0 "[ . 1 .]" 1
622 1 62 ARG H 1 62 ARG QG 2.637 . 3.472 2.411 1.982 2.795 . 0 0 "[ . 1 .]" 1
623 1 62 ARG H 1 63 GLU H 2.404 . 3.098 2.733 2.659 2.809 . 0 0 "[ . 1 .]" 1
624 1 62 ARG H 1 64 ILE MD 5.227 . 8.506 6.024 5.045 6.691 . 0 0 "[ . 1 .]" 1
625 1 62 ARG HA 1 63 GLU H 3.188 . 4.407 3.551 3.524 3.567 . 0 0 "[ . 1 .]" 1
626 1 62 ARG HA 1 65 TYR H 3.249 . 4.516 3.465 3.182 3.651 . 0 0 "[ . 1 .]" 1
627 1 62 ARG HA 1 65 TYR HB2 2.797 . 3.736 3.541 2.997 3.775 0.039 3 0 "[ . 1 .]" 1
628 1 62 ARG QG 1 63 GLU H 4.340 2.080 6.600 3.914 2.145 4.413 . 0 0 "[ . 1 .]" 1
629 1 63 GLU H 1 63 GLU HA 2.566 . 3.356 2.833 2.800 2.860 . 0 0 "[ . 1 .]" 1
630 1 63 GLU H 1 63 GLU HB3 2.244 . 2.848 3.005 2.492 3.606 0.758 7 6 "[ ** .*+- 1* .]" 1
631 1 63 GLU H 1 63 GLU HG3 2.346 . 3.007 2.937 2.090 3.782 0.775 11 2 "[ . 1+ - .]" 1
632 1 63 GLU HA 1 64 ILE H 3.147 . 4.335 3.524 3.499 3.545 . 0 0 "[ . 1 .]" 1
633 1 63 GLU HB3 1 64 ILE H 3.001 . 4.082 3.841 3.561 4.095 0.013 10 0 "[ . 1 .]" 1
634 1 63 GLU HG3 1 64 ILE H 3.371 2.007 4.735 3.194 2.263 5.006 0.271 11 0 "[ . 1 .]" 1
635 1 64 ILE H 1 64 ILE HB 2.959 . 4.009 2.387 2.170 2.542 . 0 0 "[ . 1 .]" 1
636 1 64 ILE H 1 64 ILE MD 4.288 2.082 6.494 3.009 2.233 3.432 . 0 0 "[ . 1 .]" 1
637 1 64 ILE H 1 64 ILE HG12 3.223 . 4.470 2.875 2.160 4.155 . 0 0 "[ . 1 .]" 1
638 1 64 ILE H 1 64 ILE HG13 2.998 . 4.076 3.803 3.632 4.131 0.055 12 0 "[ . 1 .]" 1
639 1 64 ILE H 1 64 ILE MG 3.728 2.060 5.396 3.710 3.525 3.780 . 0 0 "[ . 1 .]" 1
640 1 64 ILE H 1 65 TYR H 2.853 . 3.830 2.643 2.571 2.721 . 0 0 "[ . 1 .]" 1
641 1 64 ILE H 1 65 TYR HB2 4.257 2.082 6.432 5.014 4.731 5.186 . 0 0 "[ . 1 .]" 1
642 1 64 ILE HA 1 64 ILE MD 2.794 . 3.731 2.083 1.862 2.535 . 0 0 "[ . 1 .]" 1
643 1 64 ILE HA 1 64 ILE MG 2.864 . 3.848 2.556 2.416 2.801 . 0 0 "[ . 1 .]" 1
644 1 64 ILE HA 1 65 TYR H 3.163 . 4.363 3.540 3.511 3.571 . 0 0 "[ . 1 .]" 1
645 1 64 ILE HA 1 67 ARG H 3.889 2.074 5.704 3.572 3.306 3.842 . 0 0 "[ . 1 .]" 1
646 1 64 ILE HB 1 64 ILE MD 2.967 . 4.024 2.972 2.421 3.243 . 0 0 "[ . 1 .]" 1
647 1 64 ILE HB 1 64 ILE MG 2.252 . 2.860 2.126 2.111 2.131 . 0 0 "[ . 1 .]" 1
648 1 64 ILE HB 1 65 TYR H 2.531 . 3.300 2.692 2.478 3.013 . 0 0 "[ . 1 .]" 1
649 1 64 ILE MD 1 64 ILE HG12 2.041 . 2.541 2.117 2.114 2.123 . 0 0 "[ . 1 .]" 1
650 1 64 ILE MG 1 65 TYR HB2 3.631 2.049 5.213 4.118 3.584 4.531 . 0 0 "[ . 1 .]" 1
651 1 64 ILE MG 1 68 TYR HB3 2.754 . 3.664 2.742 2.223 3.472 . 0 0 "[ . 1 .]" 1
652 1 65 TYR H 1 65 TYR HB2 2.649 . 3.491 2.513 2.346 2.684 . 0 0 "[ . 1 .]" 1
653 1 65 TYR H 1 66 ASP H 2.976 . 4.039 2.636 2.549 2.737 . 0 0 "[ . 1 .]" 1
654 1 65 TYR HA 1 65 TYR HB2 1.959 . 2.420 2.462 2.396 2.531 0.111 1 0 "[ . 1 .]" 1
655 1 65 TYR HA 1 66 ASP H 3.319 . 4.641 3.513 3.485 3.548 . 0 0 "[ . 1 .]" 1
656 1 65 TYR HA 1 68 TYR H 3.007 . 4.092 3.893 3.624 4.144 0.052 12 0 "[ . 1 .]" 1
657 1 65 TYR HB2 1 66 ASP H 3.384 2.010 4.758 3.923 3.772 4.058 . 0 0 "[ . 1 .]" 1
658 1 66 ASP H 1 66 ASP HA 2.893 . 3.897 2.835 2.804 2.855 . 0 0 "[ . 1 .]" 1
659 1 66 ASP H 1 66 ASP HB2 3.097 . 4.248 2.439 2.106 2.580 . 0 0 "[ . 1 .]" 1
660 1 66 ASP H 1 66 ASP HB3 2.840 . 3.808 2.729 2.411 3.575 . 0 0 "[ . 1 .]" 1
661 1 66 ASP H 1 67 ARG H 3.149 . 4.339 2.677 2.573 2.785 . 0 0 "[ . 1 .]" 1
662 1 66 ASP HA 1 66 ASP HB2 2.994 . 4.069 2.578 2.421 3.002 . 0 0 "[ . 1 .]" 1
663 1 66 ASP HA 1 67 ARG H 3.931 2.077 5.785 3.568 3.541 3.587 . 0 0 "[ . 1 .]" 1
664 1 66 ASP HB2 1 67 ARG H 2.767 . 3.686 3.602 2.723 3.847 0.161 8 0 "[ . 1 .]" 1
665 1 66 ASP HB3 1 67 ARG H 2.806 . 3.751 2.641 2.421 3.445 . 0 0 "[ . 1 .]" 1
666 1 67 ARG H 1 67 ARG HB2 2.865 . 3.850 3.622 3.593 3.649 . 0 0 "[ . 1 .]" 1
667 1 67 ARG H 1 67 ARG HB3 2.779 . 3.706 2.647 2.501 2.761 . 0 0 "[ . 1 .]" 1
668 1 67 ARG H 1 67 ARG QD 2.465 . 3.194 3.218 3.135 3.316 0.122 2 0 "[ . 1 .]" 1
669 1 67 ARG H 1 67 ARG HG3 3.904 2.075 5.733 3.550 3.296 3.874 . 0 0 "[ . 1 .]" 1
670 1 67 ARG H 1 68 TYR H 2.816 . 3.768 2.489 2.385 2.608 . 0 0 "[ . 1 .]" 1
671 1 67 ARG H 1 69 GLY H 3.552 2.038 5.066 3.778 3.639 4.001 . 0 0 "[ . 1 .]" 1
672 1 67 ARG HA 1 67 ARG HB2 2.595 . 3.403 2.424 2.361 2.482 . 0 0 "[ . 1 .]" 1
673 1 67 ARG HA 1 67 ARG HB3 2.545 . 3.322 2.452 2.391 2.537 . 0 0 "[ . 1 .]" 1
674 1 67 ARG HA 1 67 ARG QD 3.974 2.079 5.869 4.351 4.197 4.439 . 0 0 "[ . 1 .]" 1
675 1 67 ARG HA 1 67 ARG HG3 2.917 . 3.938 3.895 3.833 3.950 0.012 3 0 "[ . 1 .]" 1
676 1 67 ARG HA 1 68 TYR H 2.906 . 3.919 3.531 3.477 3.574 . 0 0 "[ . 1 .]" 1
677 1 67 ARG HB2 1 67 ARG QD 2.883 . 3.881 3.080 2.597 3.242 . 0 0 "[ . 1 .]" 1
678 1 67 ARG HB2 1 68 TYR H 3.474 2.026 4.922 3.873 3.597 4.102 . 0 0 "[ . 1 .]" 1
679 1 67 ARG HB3 1 67 ARG QD 2.328 . 2.978 2.287 2.183 2.412 . 0 0 "[ . 1 .]" 1
680 1 67 ARG HB3 1 68 TYR H 3.102 . 4.257 4.007 3.835 4.179 . 0 0 "[ . 1 .]" 1
681 1 67 ARG HB3 1 69 GLY H 4.046 2.082 6.010 5.562 5.435 5.666 . 0 0 "[ . 1 .]" 1
682 1 67 ARG QD 1 67 ARG HG3 2.553 . 3.335 2.351 2.294 2.415 . 0 0 "[ . 1 .]" 1
683 1 67 ARG HG3 1 68 TYR H 3.191 . 4.413 2.924 2.466 3.265 . 0 0 "[ . 1 .]" 1
684 1 67 ARG HG3 1 68 TYR HB2 2.553 . 3.335 2.934 2.506 3.364 0.029 15 0 "[ . 1 .]" 1
685 1 68 TYR H 1 68 TYR HB2 2.929 . 3.959 2.684 2.231 3.325 . 0 0 "[ . 1 .]" 1
686 1 68 TYR H 1 68 TYR HB3 3.269 . 4.551 2.627 2.208 3.158 . 0 0 "[ . 1 .]" 1
687 1 68 TYR H 1 69 GLY H 2.749 . 3.656 2.254 2.138 2.419 . 0 0 "[ . 1 .]" 1
688 1 68 TYR HA 1 68 TYR HB2 2.912 . 3.930 2.531 2.261 2.814 . 0 0 "[ . 1 .]" 1
689 1 68 TYR HA 1 68 TYR HB3 2.680 . 3.542 3.006 2.888 3.029 . 0 0 "[ . 1 .]" 1
690 1 68 TYR HA 1 69 GLY H 3.659 2.052 5.266 3.303 3.166 3.368 . 0 0 "[ . 1 .]" 1
691 1 68 TYR HA 1 71 GLU H 2.780 . 3.707 3.221 2.788 3.748 0.041 15 0 "[ . 1 .]" 1
692 1 68 TYR HB2 1 69 GLY H 3.661 2.053 5.269 4.201 3.800 4.491 . 0 0 "[ . 1 .]" 1
693 1 68 TYR HB3 1 69 GLY H 3.585 2.043 5.127 3.456 3.286 3.774 . 0 0 "[ . 1 .]" 1
694 1 69 GLY H 1 69 GLY HA2 2.694 . 3.565 2.846 2.760 2.910 . 0 0 "[ . 1 .]" 1
695 1 69 GLY H 1 69 GLY HA3 2.649 . 3.491 2.294 2.271 2.327 . 0 0 "[ . 1 .]" 1
696 1 69 GLY H 1 70 ARG H 3.300 . 4.607 2.584 2.318 2.879 . 0 0 "[ . 1 .]" 1
697 1 69 GLY HA2 1 70 ARG H 2.840 . 3.808 3.505 3.454 3.526 . 0 0 "[ . 1 .]" 1
698 1 69 GLY HA3 1 70 ARG H 1.963 . 2.425 2.616 2.536 2.709 0.284 9 0 "[ . 1 .]" 1
699 1 70 ARG H 1 70 ARG HB2 2.625 . 3.452 2.490 2.416 2.674 . 0 0 "[ . 1 .]" 1
700 1 70 ARG H 1 70 ARG HG2 1.818 . 2.215 2.196 1.902 2.274 0.059 1 0 "[ . 1 .]" 1
701 1 70 ARG H 1 71 GLU H 3.384 2.010 4.758 2.696 2.616 2.880 . 0 0 "[ . 1 .]" 1
702 1 70 ARG HA 1 70 ARG HB2 2.917 . 3.938 3.019 3.014 3.026 . 0 0 "[ . 1 .]" 1
703 1 70 ARG HA 1 70 ARG QD 2.015 . 2.502 2.022 1.883 2.190 . 0 0 "[ . 1 .]" 1
704 1 70 ARG HA 1 70 ARG HG2 2.436 . 3.148 3.063 2.907 3.208 0.060 2 0 "[ . 1 .]" 1
705 1 70 ARG HB2 1 70 ARG QD 4.155 2.083 6.227 3.419 3.291 3.532 . 0 0 "[ . 1 .]" 1
706 1 70 ARG HB2 1 71 GLU H 2.448 . 3.167 2.842 2.523 3.054 . 0 0 "[ . 1 .]" 1
707 1 70 ARG QD 1 70 ARG HG2 2.412 . 3.110 2.238 2.169 2.381 . 0 0 "[ . 1 .]" 1
708 1 70 ARG HG2 1 71 GLU H 4.571 2.064 7.078 4.385 3.922 4.523 . 0 0 "[ . 1 .]" 1
709 1 71 GLU H 1 71 GLU HB3 2.673 . 3.530 3.401 2.336 3.630 0.100 15 0 "[ . 1 .]" 1
710 1 71 GLU H 1 71 GLU HG3 3.024 . 4.122 3.471 2.247 4.315 0.193 6 0 "[ . 1 .]" 1
711 1 71 GLU HA 1 71 GLU HB3 2.593 . 3.400 2.550 2.379 3.021 . 0 0 "[ . 1 .]" 1
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