NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
651122 |
6kqv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6kqv
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 893
_Distance_constraint_stats_list.Viol_count 957
_Distance_constraint_stats_list.Viol_total 1529.460
_Distance_constraint_stats_list.Viol_max 1.990
_Distance_constraint_stats_list.Viol_rms 0.0836
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0171
_Distance_constraint_stats_list.Viol_average_violations_only 0.1598
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 14.479 1.990 4 9 "[-* +******]"
1 2 GLN 2.559 0.930 8 2 "[ .- + 1]"
1 3 LYS 3.429 0.930 8 1 "[ . + 1]"
1 4 VAL 1.948 0.176 5 0 "[ . 1]"
1 5 LEU 2.430 0.270 4 0 "[ . 1]"
1 7 VAL 1.728 0.261 3 0 "[ . 1]"
1 8 PHE 3.712 0.908 8 1 "[ . + 1]"
1 9 TYR 1.006 0.313 4 0 "[ . 1]"
1 10 PHE 4.121 0.913 3 2 "[ + . - 1]"
1 11 ALA 0.921 0.208 3 0 "[ . 1]"
1 12 ARG 2.477 0.273 5 0 "[ . 1]"
1 13 GLU 2.842 0.630 1 3 "[+ *.- 1]"
1 14 PRO 1.142 0.112 1 0 "[ . 1]"
1 15 HIS 2.350 0.191 3 0 "[ . 1]"
1 16 SER 1.636 0.208 3 0 "[ . 1]"
1 17 LYS 2.193 0.232 2 0 "[ . 1]"
1 18 PRO 0.403 0.194 7 0 "[ . 1]"
1 19 ILE 2.722 0.496 3 0 "[ . 1]"
1 20 LYS 0.151 0.094 9 0 "[ . 1]"
1 21 PHE 3.415 0.496 3 0 "[ . 1]"
1 22 LEU 1.210 0.340 8 0 "[ . 1]"
1 23 VAL 5.590 0.242 9 0 "[ . 1]"
1 24 SER 0.000 0.000 . 0 "[ . 1]"
1 25 VAL 2.324 0.435 4 0 "[ . 1]"
1 26 SER 4.360 0.328 7 0 "[ . 1]"
1 27 LYS 1.552 0.198 8 0 "[ . 1]"
1 28 GLU 11.739 1.990 4 8 "[-* +*** **]"
1 30 SER 1.111 0.157 2 0 "[ . 1]"
1 31 THR 0.087 0.044 7 0 "[ . 1]"
1 32 ALA 0.000 0.000 . 0 "[ . 1]"
1 33 SER 4.188 0.484 4 0 "[ . 1]"
1 34 GLU 1.850 0.210 7 0 "[ . 1]"
1 35 VAL 2.438 0.142 2 0 "[ . 1]"
1 36 LEU 6.521 1.269 1 4 "[+ *. * -]"
1 37 ASP 1.524 0.370 1 0 "[ . 1]"
1 38 SER 5.562 0.306 2 0 "[ . 1]"
1 39 LEU 3.521 0.691 4 1 "[ +. 1]"
1 40 SER 6.526 0.963 4 2 "[ +. -]"
1 41 GLN 6.980 0.552 1 2 "[+ . - 1]"
1 42 SER 3.475 0.256 9 0 "[ . 1]"
1 43 VAL 0.219 0.160 9 0 "[ . 1]"
1 44 HIS 4.758 0.630 1 3 "[+ *.- 1]"
1 45 VAL 2.594 0.399 6 0 "[ . 1]"
1 46 LYS 1.473 0.966 6 1 "[ .+ 1]"
1 48 GLU 8.254 0.992 6 1 "[ .+ 1]"
1 49 ASN 8.184 0.992 8 3 "[ - .* + 1]"
1 50 LEU 20.340 0.986 5 4 "[ *+ * -]"
1 51 ARG 4.139 0.986 5 4 "[ *+ * -]"
1 52 LEU 2.412 0.665 4 1 "[ +. 1]"
1 53 ALA 3.052 0.381 10 0 "[ . 1]"
1 54 GLU 2.925 0.701 8 2 "[ . +-1]"
1 55 VAL 4.535 1.323 4 1 "[ +. 1]"
1 56 ILE 0.301 0.156 9 0 "[ . 1]"
1 57 LYS 2.805 1.213 5 1 "[ + 1]"
1 59 ARG 7.261 0.589 10 2 "[ . - +]"
1 63 VAL 5.157 0.969 8 2 "[ *. + 1]"
1 64 PHE 6.596 0.775 3 2 "[ + .- 1]"
1 65 LEU 4.669 0.969 8 2 "[ *. + 1]"
1 68 HIS 0.000 0.000 . 0 "[ . 1]"
1 70 LEU 0.000 0.000 . 0 "[ . 1]"
1 71 ASP 0.518 0.145 1 0 "[ . 1]"
1 72 THR 0.328 0.177 8 0 "[ . 1]"
1 74 SER 1.680 0.989 4 2 "[ +. - 1]"
1 76 SER 3.063 0.703 4 2 "[ +. -]"
1 77 ASP 5.015 1.323 4 3 "[ +. - *]"
1 78 THR 2.936 0.701 8 1 "[ . + 1]"
1 79 LEU 4.393 0.509 9 1 "[ . +1]"
1 80 LEU 5.765 0.502 3 2 "[ + - 1]"
1 81 CYS 3.098 0.313 4 0 "[ . 1]"
1 82 PHE 3.536 0.913 3 2 "[ + - 1]"
1 83 GLU 2.807 0.416 9 0 "[ . 1]"
1 84 LEU 4.189 0.992 8 3 "[ - .* + 1]"
1 85 LEU 2.187 0.430 5 0 "[ . 1]"
1 86 SER 2.365 0.430 5 0 "[ . 1]"
1 87 SER 0.050 0.050 5 0 "[ . 1]"
1 88 GLU 3.374 0.824 6 3 "[ * .+ * 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 1 LYS H1 1 1 LYS HA 4.847 . 7.783 2.628 2.345 2.967 . 0 0 "[ . 1]" 1
2 1 1 LYS H1 1 1 LYS QB . . 2.575 2.631 2.282 3.323 0.748 8 3 "[-* . + 1]" 1
3 1 1 LYS H1 1 3 LYS HA 5.013 . 8.154 7.539 6.492 8.593 0.439 8 0 "[ . 1]" 1
4 1 1 LYS H1 1 26 SER QB 4.862 . 7.817 3.984 2.524 5.130 . 0 0 "[ . 1]" 1
5 1 1 LYS H1 1 28 GLU HA 3.255 . 4.580 5.511 4.879 6.570 1.990 4 8 "[-* +*** **]" 1
6 1 1 LYS HA 1 1 LYS QB 2.367 . 3.067 2.374 2.310 2.510 . 0 0 "[ . 1]" 1
7 1 1 LYS HA 1 26 SER QB 3.812 . 5.629 2.818 1.908 3.865 0.087 9 0 "[ . 1]" 1
8 1 1 LYS HA 1 28 GLU H 3.300 . 4.661 4.598 3.232 5.017 0.356 8 0 "[ . 1]" 1
9 1 1 LYS QB 1 2 GLN HA 4.160 . 6.323 4.342 4.260 4.459 . 0 0 "[ . 1]" 1
10 1 1 LYS HD2 1 1 LYS HE3 2.020 . 2.530 2.465 2.360 3.021 0.491 4 0 "[ . 1]" 1
11 1 1 LYS HD2 1 25 VAL MG1 2.890 . 3.934 3.363 2.692 3.831 . 0 0 "[ . 1]" 1
12 1 1 LYS HD2 1 71 ASP QB 3.939 . 5.878 5.557 5.209 5.773 . 0 0 "[ . 1]" 1
13 1 1 LYS HE2 1 25 VAL MG1 3.281 . 4.626 3.107 1.602 4.145 0.334 4 0 "[ . 1]" 1
14 1 1 LYS HE3 1 3 LYS QD 6.508 . 11.802 7.741 5.794 8.702 . 0 0 "[ . 1]" 1
15 1 1 LYS HE3 1 25 VAL MG1 2.147 . 2.723 2.569 2.012 3.158 0.435 4 0 "[ . 1]" 1
16 1 2 GLN H 1 2 GLN QB 3.210 . 4.498 2.652 2.295 3.028 . 0 0 "[ . 1]" 1
17 1 2 GLN H 1 3 LYS QB 3.538 . 5.103 5.070 4.938 6.033 0.930 8 1 "[ . + 1]" 1
18 1 2 GLN H 1 28 GLU HB2 5.228 . 8.645 7.867 6.021 9.519 0.874 6 1 "[ .+ 1]" 1
19 1 2 GLN H 1 28 GLU QG 4.422 . 6.867 6.018 3.880 6.659 . 0 0 "[ . 1]" 1
20 1 2 GLN H 1 71 ASP QB 3.823 . 5.650 5.160 4.150 5.542 . 0 0 "[ . 1]" 1
21 1 2 GLN H 1 72 THR HA 4.374 . 6.766 6.374 5.400 6.943 0.177 8 0 "[ . 1]" 1
22 1 2 GLN HA 1 2 GLN QB 2.516 . 3.308 2.301 2.161 2.467 . 0 0 "[ . 1]" 1
23 1 2 GLN HA 1 2 GLN HG2 2.896 . 3.944 3.253 2.456 3.846 . 0 0 "[ . 1]" 1
24 1 2 GLN HA 1 3 LYS QB 4.374 . 6.766 4.638 4.247 4.707 . 0 0 "[ . 1]" 1
25 1 2 GLN HA 1 3 LYS QD 5.615 . 9.556 5.693 5.342 5.969 . 0 0 "[ . 1]" 1
26 1 2 GLN HA 1 28 GLU QG 5.491 . 9.260 7.287 6.388 8.478 . 0 0 "[ . 1]" 1
27 1 2 GLN QB 1 3 LYS H 2.671 . 3.563 3.279 1.783 3.510 . 0 0 "[ . 1]" 1
28 1 2 GLN QB 1 5 LEU H 6.374 . 11.453 7.596 7.312 7.897 . 0 0 "[ . 1]" 1
29 1 3 LYS H 1 3 LYS QB 3.305 . 3.843 3.129 2.384 3.336 . 0 0 "[ . 1]" 1
30 1 3 LYS H 1 3 LYS QD 3.386 . 4.819 4.239 3.672 4.744 . 0 0 "[ . 1]" 1
31 1 3 LYS H 1 3 LYS QG 3.575 . 5.172 2.519 2.045 3.561 . 0 0 "[ . 1]" 1
32 1 3 LYS H 1 4 VAL HA 4.725 . 7.515 4.426 4.142 5.930 . 0 0 "[ . 1]" 1
33 1 3 LYS H 1 26 SER HA 3.524 . 5.076 4.987 4.636 5.328 0.252 8 0 "[ . 1]" 1
34 1 3 LYS HA 1 3 LYS QG 3.473 . 4.981 3.250 2.360 3.375 . 0 0 "[ . 1]" 1
35 1 3 LYS HA 1 4 VAL H 2.262 . 2.902 2.216 2.153 2.310 . 0 0 "[ . 1]" 1
36 1 3 LYS HA 1 71 ASP QB 6.584 . 12.003 6.839 6.436 7.281 . 0 0 "[ . 1]" 1
37 1 3 LYS QB 1 4 VAL H 3.165 . 4.418 3.230 2.637 3.530 . 0 0 "[ . 1]" 1
38 1 3 LYS QB 1 4 VAL MG1 5.960 . 10.400 5.018 4.245 5.813 . 0 0 "[ . 1]" 1
39 1 3 LYS QB 1 4 VAL MG2 6.118 . 10.796 5.048 4.147 5.839 . 0 0 "[ . 1]" 1
40 1 3 LYS QB 1 24 SER QB 5.010 . 8.147 5.795 5.123 6.472 . 0 0 "[ . 1]" 1
41 1 3 LYS QB 1 72 THR HA 4.472 . 6.972 4.550 3.430 6.270 . 0 0 "[ . 1]" 1
42 1 3 LYS QB 1 76 SER H 5.813 . 10.037 6.142 4.129 7.259 . 0 0 "[ . 1]" 1
43 1 3 LYS QB 1 76 SER HA 6.303 . 11.269 7.241 5.424 8.102 . 0 0 "[ . 1]" 1
44 1 3 LYS QD 1 4 VAL H 5.260 . 8.719 5.270 3.919 5.915 . 0 0 "[ . 1]" 1
45 1 3 LYS QD 1 26 SER HA 1.922 . 2.384 2.498 2.390 2.609 0.225 8 0 "[ . 1]" 1
46 1 3 LYS QD 1 26 SER QB 3.038 . 4.192 2.790 2.115 3.697 . 0 0 "[ . 1]" 1
47 1 3 LYS QD 1 54 GLU HA 6.605 . 12.058 10.848 10.473 11.093 . 0 0 "[ . 1]" 1
48 1 3 LYS QG 1 5 LEU HG 3.982 . 5.964 3.868 3.149 4.602 . 0 0 "[ . 1]" 1
49 1 3 LYS QG 1 27 LYS H 3.562 . 5.148 4.656 4.284 5.014 . 0 0 "[ . 1]" 1
50 1 3 LYS QG 1 71 ASP HA 2.596 . 3.438 3.285 2.786 3.506 0.068 4 0 "[ . 1]" 1
51 1 3 LYS QG 1 71 ASP QB 2.840 . 3.848 3.670 3.495 3.853 0.005 2 0 "[ . 1]" 1
52 1 4 VAL H 1 4 VAL HA 2.516 . 3.308 2.908 2.883 2.941 . 0 0 "[ . 1]" 1
53 1 4 VAL H 1 4 VAL HB 3.334 . 4.724 2.928 2.365 3.716 . 0 0 "[ . 1]" 1
54 1 4 VAL H 1 4 VAL MG1 3.378 . 4.804 2.732 1.776 3.821 0.176 5 0 "[ . 1]" 1
55 1 4 VAL H 1 4 VAL MG2 2.793 . 3.768 2.863 1.911 3.775 0.007 2 0 "[ . 1]" 1
56 1 4 VAL H 1 5 LEU HB3 5.116 . 8.388 6.699 6.332 6.962 . 0 0 "[ . 1]" 1
57 1 4 VAL H 1 22 LEU H 6.206 . 11.020 10.985 10.314 11.107 0.087 7 0 "[ . 1]" 1
58 1 4 VAL HA 1 4 VAL MG1 3.236 . 4.545 2.729 2.298 3.198 . 0 0 "[ . 1]" 1
59 1 4 VAL HA 1 4 VAL MG2 2.693 . 3.600 2.590 2.321 3.222 . 0 0 "[ . 1]" 1
60 1 4 VAL HA 1 5 LEU H 2.217 . 2.832 2.126 2.089 2.173 . 0 0 "[ . 1]" 1
61 1 4 VAL HA 1 5 LEU HG 2.815 . 3.806 3.917 3.834 3.982 0.176 3 0 "[ . 1]" 1
62 1 4 VAL MG1 1 5 LEU H 3.398 . 4.841 3.813 3.133 4.279 . 0 0 "[ . 1]" 1
63 1 4 VAL MG2 1 23 VAL HA 5.810 . 10.030 5.720 4.384 7.072 . 0 0 "[ . 1]" 1
64 1 4 VAL MG2 1 25 VAL HA 5.662 . 9.670 6.921 6.194 8.227 . 0 0 "[ . 1]" 1
65 1 4 VAL MG2 1 26 SER QB 6.454 . 11.661 7.561 6.701 8.608 . 0 0 "[ . 1]" 1
66 1 5 LEU H 1 5 LEU HG 2.450 . 3.200 2.736 2.562 2.967 . 0 0 "[ . 1]" 1
67 1 5 LEU H 1 22 LEU QD 3.246 . 4.563 3.747 2.768 4.161 . 0 0 "[ . 1]" 1
68 1 5 LEU HA 1 76 SER HB2 5.081 . 8.308 7.806 7.127 8.346 0.038 2 0 "[ . 1]" 1
69 1 5 LEU HB3 1 5 LEU MD1 2.526 . 3.324 2.609 2.365 3.119 . 0 0 "[ . 1]" 1
70 1 5 LEU HB3 1 76 SER HA 4.543 . 7.123 6.387 5.756 7.393 0.270 4 0 "[ . 1]" 1
71 1 5 LEU HB3 1 76 SER HB2 5.810 . 10.030 8.557 7.343 9.181 . 0 0 "[ . 1]" 1
72 1 5 LEU HG 1 76 SER HA 4.255 . 6.518 6.619 6.572 6.668 0.150 4 0 "[ . 1]" 1
73 1 7 VAL H 1 7 VAL HB 3.656 . 5.327 3.780 3.732 3.816 . 0 0 "[ . 1]" 1
74 1 7 VAL H 1 7 VAL MG2 3.394 . 4.834 2.224 1.972 2.554 . 0 0 "[ . 1]" 1
75 1 7 VAL H 1 21 PHE HA 4.980 . 8.080 4.767 4.655 4.930 . 0 0 "[ . 1]" 1
76 1 7 VAL H 1 23 VAL HA 4.148 . 6.299 6.446 6.378 6.541 0.242 9 0 "[ . 1]" 1
77 1 7 VAL H 1 23 VAL MG1 3.607 . 5.233 4.786 4.697 4.933 . 0 0 "[ . 1]" 1
78 1 7 VAL HA 1 23 VAL MG2 5.790 . 9.980 5.565 5.359 5.854 . 0 0 "[ . 1]" 1
79 1 7 VAL HA 1 79 LEU QD 4.289 . 6.588 2.494 1.729 3.352 0.261 3 0 "[ . 1]" 1
80 1 7 VAL HA 1 79 LEU HG 2.915 . 3.977 2.436 2.002 2.978 . 0 0 "[ . 1]" 1
81 1 7 VAL HB 1 8 PHE H 2.387 . 3.099 2.791 2.618 2.962 . 0 0 "[ . 1]" 1
82 1 7 VAL HB 1 79 LEU QB 3.637 . 5.291 4.757 3.662 5.111 . 0 0 "[ . 1]" 1
83 1 7 VAL MG2 1 9 TYR H 3.844 . 5.691 3.558 2.948 4.211 . 0 0 "[ . 1]" 1
84 1 7 VAL MG2 1 20 LYS HA 3.625 . 5.268 3.423 3.150 3.572 . 0 0 "[ . 1]" 1
85 1 7 VAL MG2 1 20 LYS QB 5.116 . 8.388 4.572 4.216 4.896 . 0 0 "[ . 1]" 1
86 1 7 VAL MG2 1 21 PHE HB2 3.907 . 5.815 3.877 3.257 4.389 . 0 0 "[ . 1]" 1
87 1 7 VAL MG2 1 21 PHE HB3 4.403 . 6.826 3.413 2.953 4.017 . 0 0 "[ . 1]" 1
88 1 7 VAL MG2 1 21 PHE HD1 6.083 . 10.708 5.023 4.219 6.020 . 0 0 "[ . 1]" 1
89 1 7 VAL MG2 1 23 VAL HA 5.931 . 10.328 6.147 5.512 6.583 . 0 0 "[ . 1]" 1
90 1 8 PHE H 1 8 PHE HB2 2.925 . 3.994 3.636 2.473 3.936 . 0 0 "[ . 1]" 1
91 1 8 PHE H 1 8 PHE HB3 2.880 . 3.917 3.474 2.982 3.677 . 0 0 "[ . 1]" 1
92 1 8 PHE H 1 8 PHE HD1 2.209 . 2.819 2.619 1.516 2.911 0.092 10 0 "[ . 1]" 1
93 1 8 PHE H 1 20 LYS HA 3.788 . 5.582 4.526 4.283 4.639 . 0 0 "[ . 1]" 1
94 1 8 PHE H 1 20 LYS QB 3.273 . 4.612 4.484 4.189 4.706 0.094 9 0 "[ . 1]" 1
95 1 8 PHE H 1 20 LYS QD 6.043 . 10.608 6.397 5.470 7.439 . 0 0 "[ . 1]" 1
96 1 8 PHE H 1 79 LEU HA 4.805 . 7.691 5.147 4.601 5.856 . 0 0 "[ . 1]" 1
97 1 8 PHE H 1 79 LEU QD 4.390 . 6.799 2.850 1.555 3.815 0.426 8 0 "[ . 1]" 1
98 1 8 PHE H 1 81 CYS QB 5.528 . 9.349 3.921 3.354 4.894 . 0 0 "[ . 1]" 1
99 1 8 PHE HB2 1 9 TYR H 3.480 . 4.994 3.741 3.111 4.463 . 0 0 "[ . 1]" 1
100 1 8 PHE HB2 1 10 PHE H 3.967 . 5.934 6.176 6.037 6.842 0.908 8 1 "[ . + 1]" 1
101 1 8 PHE HB3 1 9 TYR H 3.153 . 4.396 4.160 3.737 4.433 0.037 3 0 "[ . 1]" 1
102 1 8 PHE HB3 1 20 LYS QD 5.240 . 8.672 4.569 3.463 5.816 . 0 0 "[ . 1]" 1
103 1 8 PHE HB3 1 20 LYS HG2 5.330 . 8.881 3.805 3.030 5.000 . 0 0 "[ . 1]" 1
104 1 8 PHE HD1 1 9 TYR H 4.397 . 6.813 5.055 4.605 5.758 . 0 0 "[ . 1]" 1
105 1 8 PHE HD1 1 19 ILE H 5.234 . 8.659 8.460 7.914 8.748 0.089 8 0 "[ . 1]" 1
106 1 9 TYR H 1 9 TYR QB 3.192 . 4.466 2.904 2.272 3.087 . 0 0 "[ . 1]" 1
107 1 9 TYR H 1 10 PHE H 3.720 . 5.450 4.422 4.398 4.453 . 0 0 "[ . 1]" 1
108 1 9 TYR H 1 11 ALA H 4.092 . 6.185 5.628 5.484 5.901 . 0 0 "[ . 1]" 1
109 1 9 TYR H 1 23 VAL MG1 5.580 . 9.472 8.107 7.788 8.703 . 0 0 "[ . 1]" 1
110 1 9 TYR H 1 50 LEU HG 5.474 . 9.220 6.507 4.482 9.462 0.242 5 0 "[ . 1]" 1
111 1 9 TYR H 1 79 LEU HG 5.086 . 8.320 7.102 6.323 8.043 . 0 0 "[ . 1]" 1
112 1 9 TYR H 1 82 PHE HA 5.580 . 9.472 7.608 7.112 8.067 . 0 0 "[ . 1]" 1
113 1 9 TYR H 1 83 GLU QB 5.391 . 9.024 7.374 6.874 8.391 . 0 0 "[ . 1]" 1
114 1 9 TYR QB 1 12 ARG H 6.574 . 11.977 6.334 5.523 7.121 . 0 0 "[ . 1]" 1
115 1 9 TYR QB 1 19 ILE MD 5.857 . 10.145 6.919 5.362 7.268 . 0 0 "[ . 1]" 1
116 1 9 TYR QB 1 79 LEU QD 5.819 . 10.051 5.597 4.587 6.923 . 0 0 "[ . 1]" 1
117 1 9 TYR QB 1 80 LEU QD 4.507 . 7.046 2.740 1.905 3.857 0.063 2 0 "[ . 1]" 1
118 1 9 TYR QB 1 81 CYS HA 2.693 . 3.600 2.626 1.473 3.689 0.313 4 0 "[ . 1]" 1
119 1 9 TYR QB 1 82 PHE QB 3.678 . 5.369 3.993 3.717 4.472 . 0 0 "[ . 1]" 1
120 1 10 PHE H 1 10 PHE HA 2.368 . 3.069 2.909 2.870 2.936 . 0 0 "[ . 1]" 1
121 1 10 PHE H 1 10 PHE HB2 2.698 . 3.608 2.580 2.349 2.890 . 0 0 "[ . 1]" 1
122 1 10 PHE H 1 10 PHE HD1 2.749 . 3.693 2.790 2.042 3.999 0.306 3 0 "[ . 1]" 1
123 1 10 PHE H 1 16 SER H 6.561 . 11.941 11.391 10.501 11.961 0.020 5 0 "[ . 1]" 1
124 1 10 PHE H 1 80 LEU HA 5.717 . 9.803 8.952 8.398 9.830 0.027 3 0 "[ . 1]" 1
125 1 10 PHE H 1 81 CYS QB 4.242 . 6.492 4.952 4.195 5.731 . 0 0 "[ . 1]" 1
126 1 10 PHE HA 1 11 ALA H 2.131 . 2.699 2.088 2.015 2.139 . 0 0 "[ . 1]" 1
127 1 10 PHE HA 1 12 ARG QD 3.865 . 5.732 5.329 5.044 5.767 0.035 3 0 "[ . 1]" 1
128 1 10 PHE HA 1 18 PRO HA 2.537 . 3.342 2.952 2.051 3.435 0.093 5 0 "[ . 1]" 1
129 1 10 PHE HA 1 18 PRO HB2 3.043 . 4.200 3.837 3.355 4.394 0.194 7 0 "[ . 1]" 1
130 1 10 PHE HA 1 82 PHE QB 6.363 . 11.425 7.870 7.428 8.660 . 0 0 "[ . 1]" 1
131 1 10 PHE HA 1 83 GLU QB 4.132 . 6.267 4.882 4.132 5.603 . 0 0 "[ . 1]" 1
132 1 10 PHE HB2 1 11 ALA H 3.276 . 4.617 4.236 4.110 4.310 . 0 0 "[ . 1]" 1
133 1 10 PHE HB2 1 82 PHE QD 5.391 . 9.024 7.234 6.208 9.937 0.913 3 1 "[ + . 1]" 1
134 1 11 ALA H 1 11 ALA MB 2.877 . 3.912 2.186 2.088 2.294 . 0 0 "[ . 1]" 1
135 1 11 ALA H 1 16 SER QB 4.912 . 7.927 6.999 6.518 7.523 . 0 0 "[ . 1]" 1
136 1 11 ALA HA 1 11 ALA MB 2.468 . 3.229 2.115 2.104 2.123 . 0 0 "[ . 1]" 1
137 1 11 ALA HA 1 12 ARG H 2.233 . 2.856 2.178 2.102 2.355 . 0 0 "[ . 1]" 1
138 1 11 ALA HA 1 16 SER H 4.932 . 7.973 7.971 7.382 8.181 0.208 3 0 "[ . 1]" 1
139 1 11 ALA HA 1 19 ILE HB 3.052 . 4.216 4.140 3.897 4.239 0.023 10 0 "[ . 1]" 1
140 1 11 ALA HA 1 19 ILE MG 5.831 . 10.081 5.168 4.986 5.378 . 0 0 "[ . 1]" 1
141 1 11 ALA HA 1 83 GLU QB 3.858 . 5.718 5.073 4.327 5.653 . 0 0 "[ . 1]" 1
142 1 11 ALA MB 1 12 ARG H 2.467 . 3.228 2.888 2.397 3.038 . 0 0 "[ . 1]" 1
143 1 11 ALA MB 1 13 GLU H 2.638 . 3.508 3.259 3.151 3.338 . 0 0 "[ . 1]" 1
144 1 11 ALA MB 1 13 GLU QB 2.638 . 3.508 3.214 2.886 3.409 . 0 0 "[ . 1]" 1
145 1 11 ALA MB 1 15 HIS HA 5.698 . 9.756 5.766 5.083 6.067 . 0 0 "[ . 1]" 1
146 1 11 ALA MB 1 16 SER QB 6.420 . 11.572 4.967 3.894 5.839 . 0 0 "[ . 1]" 1
147 1 11 ALA MB 1 18 PRO HA 4.314 . 6.641 3.104 2.227 4.411 . 0 0 "[ . 1]" 1
148 1 11 ALA MB 1 82 PHE QB 5.794 . 9.990 7.355 6.790 7.740 . 0 0 "[ . 1]" 1
149 1 11 ALA MB 1 83 GLU QB 5.622 . 9.572 5.837 5.385 6.357 . 0 0 "[ . 1]" 1
150 1 12 ARG H 1 12 ARG HB2 2.149 . 2.726 2.358 2.225 2.748 0.022 6 0 "[ . 1]" 1
151 1 12 ARG H 1 12 ARG HB3 2.700 . 3.611 3.553 3.462 3.665 0.054 6 0 "[ . 1]" 1
152 1 12 ARG H 1 12 ARG QD 2.047 . 2.571 2.407 1.276 2.607 0.247 6 0 "[ . 1]" 1
153 1 12 ARG H 1 13 GLU QB 4.679 . 7.416 5.083 4.950 5.252 . 0 0 "[ . 1]" 1
154 1 12 ARG H 1 19 ILE HA 5.460 . 9.186 8.514 8.327 8.698 . 0 0 "[ . 1]" 1
155 1 12 ARG H 1 19 ILE HB 3.874 . 5.750 5.849 5.638 5.951 0.201 10 0 "[ . 1]" 1
156 1 12 ARG H 1 43 VAL HA 4.842 . 7.772 6.400 5.610 7.796 0.024 10 0 "[ . 1]" 1
157 1 12 ARG H 1 82 PHE QB 5.770 . 9.932 7.778 7.336 8.233 . 0 0 "[ . 1]" 1
158 1 12 ARG HA 1 13 GLU H 3.247 . 4.565 2.116 2.070 2.219 . 0 0 "[ . 1]" 1
159 1 12 ARG HB2 1 12 ARG QD 2.566 . 3.389 2.523 2.385 2.654 . 0 0 "[ . 1]" 1
160 1 12 ARG HB2 1 13 GLU H 3.887 . 5.776 4.433 4.275 4.472 . 0 0 "[ . 1]" 1
161 1 12 ARG HB2 1 16 SER HA 6.325 . 11.326 11.272 10.939 11.434 0.108 3 0 "[ . 1]" 1
162 1 12 ARG HB2 1 86 SER H 3.884 . 5.770 3.424 2.431 5.412 . 0 0 "[ . 1]" 1
163 1 12 ARG QD 1 19 ILE H 6.113 . 10.784 6.616 6.401 6.964 . 0 0 "[ . 1]" 1
164 1 12 ARG QD 1 19 ILE HB 4.634 . 7.318 6.833 6.263 7.122 . 0 0 "[ . 1]" 1
165 1 12 ARG QD 1 84 LEU HB2 4.210 . 6.425 4.952 1.722 6.608 0.273 5 0 "[ . 1]" 1
166 1 12 ARG QD 1 86 SER H 4.320 . 6.652 4.833 4.117 6.462 . 0 0 "[ . 1]" 1
167 1 13 GLU H 1 13 GLU QB 2.861 . 3.824 2.340 2.201 2.532 . 0 0 "[ . 1]" 1
168 1 13 GLU H 1 16 SER QB 4.354 . 6.724 5.607 4.548 6.160 . 0 0 "[ . 1]" 1
169 1 13 GLU H 1 44 HIS HB2 5.280 . 8.765 8.369 7.207 9.167 0.402 4 0 "[ . 1]" 1
170 1 13 GLU HA 1 86 SER H 6.349 . 11.388 7.320 5.697 9.295 . 0 0 "[ . 1]" 1
171 1 13 GLU HA 1 88 GLU H 4.821 . 7.726 6.339 4.383 7.799 0.073 9 0 "[ . 1]" 1
172 1 13 GLU QB 1 14 PRO HA 3.497 . 5.026 4.418 4.326 4.488 . 0 0 "[ . 1]" 1
173 1 13 GLU QB 1 14 PRO HG2 4.168 . 6.339 2.656 2.568 2.719 . 0 0 "[ . 1]" 1
174 1 13 GLU QB 1 16 SER H 2.684 . 3.584 2.436 2.093 2.805 . 0 0 "[ . 1]" 1
175 1 13 GLU QB 1 16 SER QB 3.743 . 5.494 3.190 2.177 3.820 . 0 0 "[ . 1]" 1
176 1 13 GLU QB 1 43 VAL HA 5.092 . 8.334 5.662 5.101 7.167 . 0 0 "[ . 1]" 1
177 1 13 GLU QB 1 44 HIS HB2 4.172 . 6.348 6.322 5.814 6.978 0.630 1 3 "[+ *.- 1]" 1
178 1 14 PRO HA 1 15 HIS H 2.412 . 3.139 3.226 3.191 3.251 0.112 1 0 "[ . 1]" 1
179 1 14 PRO HA 1 15 HIS HA 4.760 . 7.592 5.116 5.093 5.134 . 0 0 "[ . 1]" 1
180 1 14 PRO HA 1 16 SER H 4.330 . 6.674 4.936 4.795 5.022 . 0 0 "[ . 1]" 1
181 1 14 PRO HB2 1 15 HIS H 2.851 . 3.867 3.841 3.765 3.915 0.048 8 0 "[ . 1]" 1
182 1 14 PRO HB2 1 16 SER HA 3.594 . 5.209 5.211 5.110 5.254 0.045 6 0 "[ . 1]" 1
183 1 14 PRO HG2 1 15 HIS H 3.155 . 4.399 4.072 3.949 4.314 . 0 0 "[ . 1]" 1
184 1 14 PRO HG2 1 16 SER H 3.284 . 4.632 3.764 3.481 3.909 . 0 0 "[ . 1]" 1
185 1 14 PRO HG2 1 44 HIS HA 6.454 . 11.661 10.102 9.064 10.842 . 0 0 "[ . 1]" 1
186 1 15 HIS H 1 15 HIS HA 2.648 . 3.524 2.229 2.207 2.250 . 0 0 "[ . 1]" 1
187 1 15 HIS H 1 15 HIS HB2 2.773 . 3.734 3.321 3.231 3.573 . 0 0 "[ . 1]" 1
188 1 15 HIS H 1 16 SER H 2.855 . 3.874 2.369 2.284 2.443 . 0 0 "[ . 1]" 1
189 1 15 HIS H 1 17 LYS HA 4.578 . 7.198 7.332 7.248 7.389 0.191 3 0 "[ . 1]" 1
190 1 15 HIS HA 1 16 SER H 2.640 . 3.511 2.609 2.570 2.655 . 0 0 "[ . 1]" 1
191 1 15 HIS HA 1 17 LYS H 4.081 . 6.163 6.000 5.857 6.075 . 0 0 "[ . 1]" 1
192 1 15 HIS HB2 1 16 SER H 3.238 . 4.549 4.482 4.254 4.576 0.027 9 0 "[ . 1]" 1
193 1 16 SER H 1 16 SER QB 2.605 . 3.453 2.718 2.285 2.951 . 0 0 "[ . 1]" 1
194 1 16 SER H 1 17 LYS H 3.469 . 4.973 4.439 4.305 4.512 . 0 0 "[ . 1]" 1
195 1 16 SER HA 1 16 SER QB 2.460 . 3.217 2.241 2.170 2.408 . 0 0 "[ . 1]" 1
196 1 16 SER HA 1 17 LYS H 3.551 . 5.127 2.676 2.582 2.713 . 0 0 "[ . 1]" 1
197 1 16 SER QB 1 17 LYS H 1.724 . 2.096 2.088 2.010 2.124 0.028 6 0 "[ . 1]" 1
198 1 16 SER QB 1 17 LYS QB 3.958 . 5.917 4.112 3.653 4.369 . 0 0 "[ . 1]" 1
199 1 16 SER QB 1 17 LYS QD 3.726 . 5.461 2.432 1.956 4.069 0.035 2 0 "[ . 1]" 1
200 1 17 LYS H 1 17 LYS QB 2.364 . 3.062 2.506 2.126 2.922 . 0 0 "[ . 1]" 1
201 1 17 LYS H 1 17 LYS QD 2.419 . 2.777 1.750 1.456 2.518 0.232 2 0 "[ . 1]" 1
202 1 17 LYS QD 1 18 PRO HA 4.095 . 6.191 5.626 4.863 6.144 . 0 0 "[ . 1]" 1
203 1 18 PRO HA 1 19 ILE H 1.940 . 2.411 2.327 2.245 2.395 . 0 0 "[ . 1]" 1
204 1 18 PRO HB2 1 19 ILE HA 4.000 . 6.000 4.580 4.456 4.699 . 0 0 "[ . 1]" 1
205 1 19 ILE H 1 19 ILE HB 2.125 . 2.689 2.516 2.397 2.709 0.020 5 0 "[ . 1]" 1
206 1 19 ILE H 1 19 ILE MD 3.179 . 4.442 3.924 3.713 4.047 . 0 0 "[ . 1]" 1
207 1 19 ILE H 1 19 ILE HG12 3.060 . 4.230 3.212 2.938 3.453 . 0 0 "[ . 1]" 1
208 1 19 ILE H 1 19 ILE MG 3.795 . 5.595 3.719 3.625 3.835 . 0 0 "[ . 1]" 1
209 1 19 ILE H 1 21 PHE HB2 4.909 . 7.921 7.112 6.672 7.810 . 0 0 "[ . 1]" 1
210 1 19 ILE HA 1 19 ILE HB 2.685 . 3.586 2.999 2.979 3.024 . 0 0 "[ . 1]" 1
211 1 19 ILE HA 1 19 ILE MD 2.439 . 3.182 1.661 1.646 1.676 0.050 7 0 "[ . 1]" 1
212 1 19 ILE HA 1 19 ILE MG 2.996 . 4.118 2.587 2.512 2.704 . 0 0 "[ . 1]" 1
213 1 19 ILE HA 1 20 LYS H 2.355 . 3.048 2.059 2.005 2.105 . 0 0 "[ . 1]" 1
214 1 19 ILE HB 1 19 ILE MD 3.258 . 4.585 3.222 3.210 3.227 . 0 0 "[ . 1]" 1
215 1 19 ILE HB 1 20 LYS HA 3.791 . 5.587 5.093 4.896 5.159 . 0 0 "[ . 1]" 1
216 1 19 ILE HB 1 21 PHE H 5.011 . 8.149 5.801 5.449 6.274 . 0 0 "[ . 1]" 1
217 1 19 ILE HB 1 21 PHE HD1 5.240 . 8.672 8.717 8.368 9.168 0.496 3 0 "[ . 1]" 1
218 1 19 ILE MD 1 19 ILE MG 3.428 . 4.897 2.054 1.794 2.138 0.165 5 0 "[ . 1]" 1
219 1 19 ILE MD 1 20 LYS H 2.801 . 3.782 2.984 2.801 3.180 . 0 0 "[ . 1]" 1
220 1 19 ILE MD 1 20 LYS QB 4.041 . 6.082 4.922 4.605 5.172 . 0 0 "[ . 1]" 1
221 1 19 ILE MG 1 20 LYS H 2.685 . 3.586 2.940 2.483 3.095 . 0 0 "[ . 1]" 1
222 1 19 ILE MG 1 20 LYS QB 3.783 . 5.572 4.291 3.947 4.447 . 0 0 "[ . 1]" 1
223 1 19 ILE MG 1 20 LYS QD 4.140 . 6.283 4.883 4.008 5.444 . 0 0 "[ . 1]" 1
224 1 19 ILE MG 1 40 SER H 5.945 . 10.363 7.230 6.169 8.314 . 0 0 "[ . 1]" 1
225 1 20 LYS H 1 20 LYS QB 2.808 . 3.426 2.637 2.177 3.093 . 0 0 "[ . 1]" 1
226 1 20 LYS H 1 21 PHE HB2 4.309 . 6.630 5.250 4.830 5.590 . 0 0 "[ . 1]" 1
227 1 20 LYS HA 1 20 LYS QD 4.193 . 6.390 3.901 3.393 4.288 . 0 0 "[ . 1]" 1
228 1 20 LYS HA 1 21 PHE H 2.470 . 3.232 2.176 2.139 2.255 . 0 0 "[ . 1]" 1
229 1 20 LYS HA 1 21 PHE HA 3.148 . 4.387 4.373 4.348 4.398 0.011 5 0 "[ . 1]" 1
230 1 20 LYS QB 1 21 PHE H 3.469 . 4.973 3.598 3.168 3.910 . 0 0 "[ . 1]" 1
231 1 20 LYS QD 1 20 LYS HG2 2.124 . 2.688 2.310 2.164 2.421 . 0 0 "[ . 1]" 1
232 1 20 LYS QD 1 22 LEU H 3.713 . 5.436 4.673 3.424 5.338 . 0 0 "[ . 1]" 1
233 1 21 PHE H 1 21 PHE HB2 2.936 . 4.013 2.725 2.447 3.111 . 0 0 "[ . 1]" 1
234 1 21 PHE H 1 21 PHE HB3 2.996 . 4.118 3.049 2.835 3.570 . 0 0 "[ . 1]" 1
235 1 21 PHE H 1 22 LEU HB3 4.466 . 6.959 6.544 6.420 6.660 . 0 0 "[ . 1]" 1
236 1 21 PHE H 1 23 VAL MG2 4.200 . 6.405 5.343 5.079 5.655 . 0 0 "[ . 1]" 1
237 1 21 PHE H 1 39 LEU HA 3.832 . 5.668 5.750 5.667 5.873 0.205 6 0 "[ . 1]" 1
238 1 21 PHE H 1 39 LEU QB 4.449 . 6.923 5.745 5.196 6.472 . 0 0 "[ . 1]" 1
239 1 21 PHE H 1 39 LEU QD 5.137 . 8.435 3.600 3.186 4.538 . 0 0 "[ . 1]" 1
240 1 21 PHE HB2 1 21 PHE HD1 2.682 . 3.581 3.598 3.519 3.652 0.071 9 0 "[ . 1]" 1
241 1 21 PHE HB2 1 22 LEU H 3.898 . 5.797 4.285 4.167 4.372 . 0 0 "[ . 1]" 1
242 1 21 PHE HB2 1 23 VAL HA 4.289 . 6.588 6.724 6.626 6.818 0.230 1 0 "[ . 1]" 1
243 1 21 PHE HB2 1 23 VAL MG2 4.125 . 6.252 5.408 5.031 5.686 . 0 0 "[ . 1]" 1
244 1 21 PHE HB2 1 43 VAL MG1 6.118 . 10.796 6.900 6.149 7.286 . 0 0 "[ . 1]" 1
245 1 21 PHE HB3 1 21 PHE HD1 2.665 . 3.553 2.358 2.281 2.421 . 0 0 "[ . 1]" 1
246 1 21 PHE HB3 1 22 LEU H 3.644 . 5.304 3.674 3.215 3.918 . 0 0 "[ . 1]" 1
247 1 21 PHE HB3 1 23 VAL MG1 3.150 . 4.391 2.733 2.482 2.867 . 0 0 "[ . 1]" 1
248 1 21 PHE HB3 1 23 VAL MG2 3.330 . 4.716 4.069 3.780 4.386 . 0 0 "[ . 1]" 1
249 1 21 PHE HB3 1 43 VAL MG1 6.094 . 10.736 7.807 7.328 8.178 . 0 0 "[ . 1]" 1
250 1 21 PHE HD1 1 22 LEU H 2.773 . 3.734 3.459 3.239 3.890 0.156 3 0 "[ . 1]" 1
251 1 21 PHE HD1 1 23 VAL HA 4.459 . 6.945 3.681 3.080 5.572 . 0 0 "[ . 1]" 1
252 1 22 LEU H 1 22 LEU HA 2.420 . 3.152 2.909 2.902 2.918 . 0 0 "[ . 1]" 1
253 1 22 LEU H 1 22 LEU HB2 2.117 . 2.677 2.743 2.661 3.017 0.340 8 0 "[ . 1]" 1
254 1 22 LEU H 1 22 LEU HB3 3.222 . 4.520 2.424 2.262 2.489 . 0 0 "[ . 1]" 1
255 1 22 LEU H 1 22 LEU QD 3.806 . 5.516 3.729 3.674 3.808 . 0 0 "[ . 1]" 1
256 1 22 LEU H 1 24 SER HA 6.241 . 11.110 8.274 8.075 8.455 . 0 0 "[ . 1]" 1
257 1 22 LEU H 1 39 LEU QB 5.798 . 10.000 7.978 7.415 8.586 . 0 0 "[ . 1]" 1
258 1 22 LEU HB3 1 24 SER QB 4.472 . 6.972 6.117 5.648 6.548 . 0 0 "[ . 1]" 1
259 1 22 LEU QD 1 24 SER H 2.780 . 3.746 3.342 2.914 3.517 . 0 0 "[ . 1]" 1
260 1 22 LEU HG 1 23 VAL H 3.066 . 4.241 3.744 3.603 4.133 . 0 0 "[ . 1]" 1
261 1 22 LEU HG 1 24 SER H 4.003 . 6.006 5.181 3.738 5.893 . 0 0 "[ . 1]" 1
262 1 23 VAL H 1 23 VAL HA 2.902 . 3.955 2.918 2.910 2.923 . 0 0 "[ . 1]" 1
263 1 23 VAL H 1 23 VAL HB 2.756 . 3.705 3.688 3.641 3.763 0.058 9 0 "[ . 1]" 1
264 1 23 VAL H 1 23 VAL MG1 2.382 . 3.091 2.892 2.819 2.953 . 0 0 "[ . 1]" 1
265 1 23 VAL H 1 23 VAL MG2 2.368 . 3.069 1.823 1.694 2.010 . 0 0 "[ . 1]" 1
266 1 23 VAL H 1 24 SER HA 3.722 . 5.453 4.896 4.825 4.986 . 0 0 "[ . 1]" 1
267 1 23 VAL H 1 36 LEU H 5.706 . 9.775 9.310 8.873 9.617 . 0 0 "[ . 1]" 1
268 1 23 VAL H 1 38 SER HB3 3.784 . 5.574 5.631 5.485 5.714 0.140 6 0 "[ . 1]" 1
269 1 23 VAL H 1 39 LEU HA 3.958 . 5.917 6.003 5.930 6.075 0.158 5 0 "[ . 1]" 1
270 1 23 VAL H 1 42 SER HA 6.668 . 12.225 9.560 8.773 10.199 . 0 0 "[ . 1]" 1
271 1 23 VAL HA 1 23 VAL HB 2.535 . 3.338 2.516 2.457 2.560 . 0 0 "[ . 1]" 1
272 1 23 VAL HA 1 24 SER H 2.332 . 3.012 2.237 2.213 2.258 . 0 0 "[ . 1]" 1
273 1 23 VAL HA 1 42 SER H 4.912 . 7.928 8.038 7.948 8.122 0.194 1 0 "[ . 1]" 1
274 1 23 VAL HA 1 42 SER HB2 5.404 . 9.054 7.288 7.049 7.473 . 0 0 "[ . 1]" 1
275 1 23 VAL HA 1 42 SER HB3 5.163 . 8.496 7.327 6.905 7.628 . 0 0 "[ . 1]" 1
276 1 23 VAL HB 1 24 SER H 3.129 . 4.353 3.374 3.136 3.656 . 0 0 "[ . 1]" 1
277 1 23 VAL HB 1 25 VAL H 4.078 . 6.156 4.323 4.000 4.579 . 0 0 "[ . 1]" 1
278 1 23 VAL HB 1 42 SER HA 5.502 . 9.287 8.613 7.737 9.115 . 0 0 "[ . 1]" 1
279 1 23 VAL MG1 1 24 SER H 3.714 . 5.438 3.923 3.801 4.008 . 0 0 "[ . 1]" 1
280 1 23 VAL MG1 1 38 SER HA 5.921 . 10.303 3.669 3.549 3.908 . 0 0 "[ . 1]" 1
281 1 23 VAL MG1 1 38 SER HB3 2.509 . 3.296 1.792 1.697 1.849 0.025 1 0 "[ . 1]" 1
282 1 23 VAL MG2 1 24 SER H 4.144 . 6.291 4.103 3.906 4.239 . 0 0 "[ . 1]" 1
283 1 23 VAL MG2 1 24 SER HA 4.103 . 6.207 4.021 3.833 4.340 . 0 0 "[ . 1]" 1
284 1 23 VAL MG2 1 24 SER QB 4.341 . 6.696 5.100 4.942 5.238 . 0 0 "[ . 1]" 1
285 1 23 VAL MG2 1 25 VAL H 4.260 . 6.528 3.753 3.476 4.069 . 0 0 "[ . 1]" 1
286 1 23 VAL MG2 1 25 VAL HB 5.096 . 8.342 4.295 3.755 4.835 . 0 0 "[ . 1]" 1
287 1 24 SER H 1 24 SER QB 2.497 . 3.276 2.563 2.242 2.968 . 0 0 "[ . 1]" 1
288 1 24 SER H 1 25 VAL HB 5.205 . 8.591 6.100 5.666 6.351 . 0 0 "[ . 1]" 1
289 1 24 SER H 1 25 VAL MG1 5.379 . 8.996 5.303 4.677 6.003 . 0 0 "[ . 1]" 1
290 1 24 SER H 1 38 SER HB3 5.120 . 8.397 5.256 4.877 5.571 . 0 0 "[ . 1]" 1
291 1 24 SER HA 1 24 SER QB 2.583 . 3.417 2.300 2.174 2.429 . 0 0 "[ . 1]" 1
292 1 24 SER HA 1 25 VAL H 2.682 . 3.581 2.127 2.078 2.150 . 0 0 "[ . 1]" 1
293 1 24 SER HA 1 37 ASP H 6.446 . 11.639 10.755 10.477 11.021 . 0 0 "[ . 1]" 1
294 1 24 SER QB 1 25 VAL H 4.041 . 6.083 3.792 3.566 3.944 . 0 0 "[ . 1]" 1
295 1 24 SER QB 1 25 VAL HB 4.775 . 7.625 6.195 5.993 6.364 . 0 0 "[ . 1]" 1
296 1 24 SER QB 1 25 VAL MG2 4.745 . 7.560 4.225 4.041 4.388 . 0 0 "[ . 1]" 1
297 1 25 VAL H 1 25 VAL HB 2.584 . 3.419 3.321 3.035 3.544 0.125 2 0 "[ . 1]" 1
298 1 25 VAL H 1 25 VAL MG1 4.104 . 6.209 3.954 3.850 4.032 . 0 0 "[ . 1]" 1
299 1 25 VAL H 1 25 VAL MG2 3.083 . 4.271 2.598 2.363 2.943 . 0 0 "[ . 1]" 1
300 1 25 VAL H 1 27 LYS H 4.449 . 6.923 6.961 6.724 7.121 0.198 8 0 "[ . 1]" 1
301 1 25 VAL H 1 27 LYS QB 5.968 . 10.421 8.323 7.971 8.609 . 0 0 "[ . 1]" 1
302 1 25 VAL H 1 28 GLU HB2 6.847 . 12.707 9.565 9.098 10.181 . 0 0 "[ . 1]" 1
303 1 25 VAL HA 1 26 SER H 2.721 . 3.646 2.264 2.147 2.465 . 0 0 "[ . 1]" 1
304 1 25 VAL HB 1 25 VAL MG1 2.273 . 2.919 2.117 2.085 2.132 . 0 0 "[ . 1]" 1
305 1 25 VAL HB 1 26 SER H 2.603 . 3.450 3.251 2.655 3.564 0.114 6 0 "[ . 1]" 1
306 1 25 VAL HB 1 30 SER QB 6.232 . 11.087 9.491 8.898 9.810 . 0 0 "[ . 1]" 1
307 1 25 VAL HB 1 35 VAL HB 2.608 . 3.458 3.085 2.631 3.492 0.034 10 0 "[ . 1]" 1
308 1 25 VAL HB 1 35 VAL MG1 2.030 . 2.545 1.759 1.484 2.069 0.031 8 0 "[ . 1]" 1
309 1 25 VAL MG1 1 26 SER H 3.036 . 4.188 2.392 2.050 2.800 . 0 0 "[ . 1]" 1
310 1 25 VAL MG1 1 26 SER HA 3.923 . 5.847 4.186 3.583 4.678 . 0 0 "[ . 1]" 1
311 1 25 VAL MG1 1 27 LYS QB 4.622 . 7.293 5.660 4.976 6.102 . 0 0 "[ . 1]" 1
312 1 25 VAL MG1 1 32 ALA HA 5.642 . 9.621 6.338 5.174 7.372 . 0 0 "[ . 1]" 1
313 1 25 VAL MG1 1 37 ASP QB 5.731 . 9.837 4.714 4.417 5.296 . 0 0 "[ . 1]" 1
314 1 25 VAL MG2 1 26 SER H 4.337 . 6.688 4.153 4.002 4.249 . 0 0 "[ . 1]" 1
315 1 26 SER H 1 26 SER QB 2.558 . 3.376 2.897 2.691 3.173 . 0 0 "[ . 1]" 1
316 1 26 SER H 1 27 LYS QB 5.609 . 9.541 5.880 5.730 5.983 . 0 0 "[ . 1]" 1
317 1 26 SER H 1 28 GLU HA 4.632 . 7.314 5.880 5.398 6.751 . 0 0 "[ . 1]" 1
318 1 26 SER HA 1 26 SER QB 2.396 . 3.113 2.254 2.200 2.457 . 0 0 "[ . 1]" 1
319 1 26 SER HA 1 27 LYS QB 4.031 . 6.062 4.524 4.321 4.729 . 0 0 "[ . 1]" 1
320 1 26 SER HA 1 33 SER H 5.074 . 8.293 8.477 8.355 8.621 0.328 7 0 "[ . 1]" 1
321 1 26 SER QB 1 27 LYS H 2.919 . 3.984 2.662 2.491 3.406 . 0 0 "[ . 1]" 1
322 1 26 SER QB 1 28 GLU H 4.580 . 7.202 4.534 3.524 5.110 . 0 0 "[ . 1]" 1
323 1 26 SER QB 1 28 GLU HA 4.168 . 6.339 4.850 4.197 5.339 . 0 0 "[ . 1]" 1
324 1 26 SER QB 1 71 ASP H 4.885 . 7.868 4.599 4.433 4.879 . 0 0 "[ . 1]" 1
325 1 26 SER QB 1 71 ASP QB 1.716 . 2.084 1.484 1.203 2.202 0.145 1 0 "[ . 1]" 1
326 1 27 LYS H 1 27 LYS QB 2.348 . 3.037 2.575 2.247 2.837 . 0 0 "[ . 1]" 1
327 1 27 LYS HA 1 28 GLU H 3.879 . 5.760 2.182 2.058 2.369 . 0 0 "[ . 1]" 1
328 1 27 LYS HA 1 30 SER H 3.512 . 5.053 5.108 4.787 5.210 0.157 2 0 "[ . 1]" 1
329 1 27 LYS QB 1 28 GLU H 3.176 . 4.437 3.728 3.421 4.009 . 0 0 "[ . 1]" 1
330 1 27 LYS QB 1 30 SER QB 4.837 . 7.761 5.812 5.245 6.309 . 0 0 "[ . 1]" 1
331 1 27 LYS QB 1 31 THR HA 3.228 . 4.530 4.168 3.160 4.573 0.043 1 0 "[ . 1]" 1
332 1 27 LYS QB 1 71 ASP H 5.607 . 9.537 5.342 4.123 7.157 . 0 0 "[ . 1]" 1
333 1 28 GLU H 1 28 GLU QG 3.539 . 5.105 3.235 2.039 4.330 . 0 0 "[ . 1]" 1
334 1 28 GLU HA 1 28 GLU HB2 2.292 . 2.948 2.832 2.599 3.035 0.087 4 0 "[ . 1]" 1
335 1 28 GLU HA 1 30 SER H 3.749 . 5.506 4.114 3.668 4.350 . 0 0 "[ . 1]" 1
336 1 28 GLU HA 1 34 GLU QG 6.253 . 11.140 6.085 5.493 6.513 . 0 0 "[ . 1]" 1
337 1 28 GLU HA 1 71 ASP QB 3.747 . 5.502 4.869 3.768 5.202 . 0 0 "[ . 1]" 1
338 1 28 GLU HB2 1 30 SER H 4.484 . 6.997 3.935 3.161 6.107 . 0 0 "[ . 1]" 1
339 1 28 GLU HB2 1 30 SER HA 5.940 . 10.351 6.530 6.009 7.083 . 0 0 "[ . 1]" 1
340 1 28 GLU HB2 1 31 THR HA 5.525 . 9.341 7.239 6.755 8.040 . 0 0 "[ . 1]" 1
341 1 28 GLU QG 1 30 SER HA 5.985 . 10.463 6.815 5.348 7.715 . 0 0 "[ . 1]" 1
342 1 28 GLU QG 1 71 ASP QB 4.667 . 7.389 5.444 4.371 6.399 . 0 0 "[ . 1]" 1
343 1 30 SER H 1 30 SER HA 2.730 . 3.662 2.944 2.923 2.958 . 0 0 "[ . 1]" 1
344 1 30 SER H 1 32 ALA MB 5.377 . 8.991 6.961 6.826 7.129 . 0 0 "[ . 1]" 1
345 1 30 SER H 1 34 GLU QG 5.126 . 8.410 4.501 3.556 4.922 . 0 0 "[ . 1]" 1
346 1 30 SER HA 1 31 THR H 2.834 . 3.838 3.597 3.568 3.637 . 0 0 "[ . 1]" 1
347 1 30 SER HA 1 31 THR MG 3.770 . 5.547 4.640 4.313 4.833 . 0 0 "[ . 1]" 1
348 1 30 SER QB 1 31 THR H 1.786 . 2.185 2.043 1.918 2.229 0.044 7 0 "[ . 1]" 1
349 1 30 SER QB 1 31 THR HA 3.779 . 5.564 4.217 4.115 4.480 . 0 0 "[ . 1]" 1
350 1 30 SER QB 1 34 GLU HA 5.916 . 10.291 6.449 6.073 6.657 . 0 0 "[ . 1]" 1
351 1 30 SER QB 1 34 GLU QG 2.587 . 3.424 3.404 3.257 3.521 0.097 1 0 "[ . 1]" 1
352 1 31 THR H 1 31 THR MG 3.151 . 4.392 2.335 2.242 2.407 . 0 0 "[ . 1]" 1
353 1 31 THR H 1 34 GLU H 3.632 . 5.281 4.444 4.124 4.598 . 0 0 "[ . 1]" 1
354 1 31 THR H 1 34 GLU QG 3.637 . 5.291 2.900 2.509 3.121 . 0 0 "[ . 1]" 1
355 1 31 THR HA 1 32 ALA H 2.735 . 3.670 2.346 2.270 2.449 . 0 0 "[ . 1]" 1
356 1 31 THR HA 1 32 ALA HA 3.585 . 5.192 4.419 4.368 4.467 . 0 0 "[ . 1]" 1
357 1 31 THR HA 1 33 SER H 3.443 . 4.925 3.736 3.592 4.037 . 0 0 "[ . 1]" 1
358 1 31 THR HA 1 35 VAL MG2 5.414 . 9.078 7.301 7.163 7.446 . 0 0 "[ . 1]" 1
359 1 31 THR MG 1 32 ALA H 3.387 . 4.821 3.649 3.283 3.859 . 0 0 "[ . 1]" 1
360 1 31 THR MG 1 33 SER H 3.257 . 4.583 2.581 2.134 3.044 . 0 0 "[ . 1]" 1
361 1 31 THR MG 1 33 SER HA 4.054 . 6.108 4.250 4.018 4.740 . 0 0 "[ . 1]" 1
362 1 31 THR MG 1 35 VAL H 4.368 . 6.753 4.639 4.351 5.118 . 0 0 "[ . 1]" 1
363 1 32 ALA H 1 32 ALA HA 2.983 . 4.095 2.871 2.851 2.884 . 0 0 "[ . 1]" 1
364 1 32 ALA H 1 32 ALA MB 2.645 . 3.519 2.205 2.128 2.279 . 0 0 "[ . 1]" 1
365 1 32 ALA H 1 33 SER HB2 4.251 . 6.509 4.924 4.260 5.931 . 0 0 "[ . 1]" 1
366 1 32 ALA H 1 35 VAL MG1 4.493 . 7.016 6.132 5.346 6.485 . 0 0 "[ . 1]" 1
367 1 32 ALA H 1 36 LEU QD 4.446 . 6.917 5.829 5.375 6.351 . 0 0 "[ . 1]" 1
368 1 32 ALA HA 1 32 ALA MB 2.355 . 3.048 2.128 2.108 2.140 . 0 0 "[ . 1]" 1
369 1 32 ALA HA 1 34 GLU H 3.384 . 4.815 3.926 3.842 3.984 . 0 0 "[ . 1]" 1
370 1 32 ALA HA 1 35 VAL H 3.934 . 5.869 4.319 4.045 4.653 . 0 0 "[ . 1]" 1
371 1 32 ALA MB 1 33 SER H 3.129 . 4.353 2.963 2.914 3.086 . 0 0 "[ . 1]" 1
372 1 32 ALA MB 1 35 VAL MG2 3.345 . 4.744 3.590 3.364 3.931 . 0 0 "[ . 1]" 1
373 1 32 ALA MB 1 36 LEU HB3 4.992 . 8.107 5.503 5.110 5.749 . 0 0 "[ . 1]" 1
374 1 32 ALA MB 1 63 VAL MG2 6.565 . 11.952 7.816 7.396 9.333 . 0 0 "[ . 1]" 1
375 1 32 ALA MB 1 64 PHE HB2 5.191 . 8.560 6.736 6.093 7.107 . 0 0 "[ . 1]" 1
376 1 32 ALA MB 1 64 PHE QD 3.263 . 4.594 4.064 3.727 4.301 . 0 0 "[ . 1]" 1
377 1 32 ALA MB 1 65 LEU HA 4.409 . 6.839 5.724 5.089 6.132 . 0 0 "[ . 1]" 1
378 1 32 ALA MB 1 68 HIS QB 3.401 . 4.847 3.905 3.437 4.556 . 0 0 "[ . 1]" 1
379 1 33 SER H 1 33 SER HB2 3.777 . 5.560 2.837 2.447 3.620 . 0 0 "[ . 1]" 1
380 1 33 SER H 1 34 GLU HB2 3.783 . 5.572 4.984 4.800 5.104 . 0 0 "[ . 1]" 1
381 1 33 SER H 1 35 VAL H 3.728 . 5.465 4.569 4.370 4.651 . 0 0 "[ . 1]" 1
382 1 33 SER H 1 35 VAL HA 4.624 . 7.297 7.369 7.200 7.439 0.142 2 0 "[ . 1]" 1
383 1 33 SER H 1 35 VAL HB 5.537 . 9.370 7.778 7.591 7.901 . 0 0 "[ . 1]" 1
384 1 33 SER HA 1 35 VAL MG2 3.660 . 5.334 3.615 3.419 3.812 . 0 0 "[ . 1]" 1
385 1 33 SER HB2 1 36 LEU HB3 3.907 . 5.815 5.521 3.741 6.299 0.484 4 0 "[ . 1]" 1
386 1 33 SER HB2 1 36 LEU QD 3.156 . 4.401 3.131 1.813 3.851 0.098 1 0 "[ . 1]" 1
387 1 33 SER HB2 1 65 LEU HA 6.333 . 11.346 10.448 9.166 11.241 . 0 0 "[ . 1]" 1
388 1 34 GLU H 1 34 GLU HA 2.209 . 2.819 2.758 2.750 2.768 . 0 0 "[ . 1]" 1
389 1 34 GLU H 1 34 GLU HB2 2.541 . 3.348 2.547 2.470 2.648 . 0 0 "[ . 1]" 1
390 1 34 GLU H 1 34 GLU QG 2.324 . 2.999 2.103 1.646 2.318 0.005 6 0 "[ . 1]" 1
391 1 34 GLU H 1 35 VAL H 3.928 . 5.857 2.791 2.730 2.814 . 0 0 "[ . 1]" 1
392 1 34 GLU H 1 35 VAL MG1 3.827 . 5.658 4.113 3.875 4.210 . 0 0 "[ . 1]" 1
393 1 34 GLU H 1 35 VAL MG2 4.564 . 7.168 4.180 4.044 4.458 . 0 0 "[ . 1]" 1
394 1 34 GLU H 1 36 LEU H 3.184 . 4.451 4.388 4.187 4.492 0.041 4 0 "[ . 1]" 1
395 1 34 GLU H 1 38 SER H 4.017 . 6.035 6.126 5.992 6.245 0.210 7 0 "[ . 1]" 1
396 1 34 GLU HA 1 34 GLU HB2 2.697 . 3.606 3.025 3.016 3.029 . 0 0 "[ . 1]" 1
397 1 34 GLU HA 1 34 GLU QG 2.340 . 3.024 2.521 2.362 2.947 . 0 0 "[ . 1]" 1
398 1 34 GLU HA 1 35 VAL HB 4.964 . 8.044 6.594 6.578 6.610 . 0 0 "[ . 1]" 1
399 1 34 GLU HA 1 37 ASP H 2.516 . 3.307 3.354 3.205 3.451 0.144 10 0 "[ . 1]" 1
400 1 34 GLU HA 1 37 ASP QB 2.762 . 3.715 2.082 1.948 2.268 . 0 0 "[ . 1]" 1
401 1 34 GLU HB2 1 35 VAL H 2.957 . 4.050 2.829 2.767 2.893 . 0 0 "[ . 1]" 1
402 1 34 GLU HB2 1 35 VAL MG1 2.514 . 3.304 3.190 3.038 3.289 . 0 0 "[ . 1]" 1
403 1 34 GLU HB2 1 35 VAL MG2 5.038 . 8.211 4.595 4.391 4.868 . 0 0 "[ . 1]" 1
404 1 34 GLU QG 1 35 VAL MG1 4.172 . 6.348 4.679 4.512 4.763 . 0 0 "[ . 1]" 1
405 1 34 GLU QG 1 37 ASP H 5.573 . 9.456 5.364 5.216 5.448 . 0 0 "[ . 1]" 1
406 1 35 VAL H 1 35 VAL HB 2.648 . 3.525 3.620 3.599 3.635 0.110 1 0 "[ . 1]" 1
407 1 35 VAL H 1 35 VAL MG1 4.293 . 6.597 2.071 1.978 2.137 0.011 8 0 "[ . 1]" 1
408 1 35 VAL H 1 35 VAL MG2 2.180 . 2.774 2.249 2.071 2.542 . 0 0 "[ . 1]" 1
409 1 35 VAL H 1 39 LEU QD 4.688 . 7.436 5.633 5.200 6.195 . 0 0 "[ . 1]" 1
410 1 35 VAL HA 1 36 LEU QD 4.514 . 7.061 5.635 5.295 5.746 . 0 0 "[ . 1]" 1
411 1 35 VAL HB 1 37 ASP H 4.331 . 6.676 5.549 5.425 5.716 . 0 0 "[ . 1]" 1
412 1 35 VAL HB 1 38 SER H 3.604 . 5.228 5.282 5.190 5.349 0.121 3 0 "[ . 1]" 1
413 1 35 VAL HB 1 38 SER HB2 3.990 . 5.980 4.511 4.329 4.684 . 0 0 "[ . 1]" 1
414 1 35 VAL MG1 1 38 SER H 3.865 . 5.732 5.176 5.126 5.218 . 0 0 "[ . 1]" 1
415 1 35 VAL MG2 1 64 PHE H 6.083 . 10.708 7.685 7.071 8.247 . 0 0 "[ . 1]" 1
416 1 35 VAL MG2 1 64 PHE HB2 4.923 . 7.952 5.871 4.171 6.660 . 0 0 "[ . 1]" 1
417 1 35 VAL MG2 1 68 HIS QB 5.046 . 8.229 6.525 6.012 6.855 . 0 0 "[ . 1]" 1
418 1 36 LEU H 1 36 LEU HB2 2.715 . 3.636 3.479 3.163 3.575 . 0 0 "[ . 1]" 1
419 1 36 LEU H 1 36 LEU HB3 2.376 . 3.082 2.214 1.994 2.352 . 0 0 "[ . 1]" 1
420 1 36 LEU H 1 36 LEU QD 3.420 . 4.882 3.091 2.954 3.229 . 0 0 "[ . 1]" 1
421 1 36 LEU H 1 36 LEU HG 2.370 . 3.072 3.131 2.761 4.341 1.269 1 1 "[+ . 1]" 1
422 1 36 LEU H 1 37 ASP HA 4.625 . 7.299 5.084 5.023 5.153 . 0 0 "[ . 1]" 1
423 1 36 LEU H 1 37 ASP QB 3.095 . 4.292 4.138 4.015 4.260 . 0 0 "[ . 1]" 1
424 1 36 LEU H 1 39 LEU HA 6.185 . 10.966 7.412 7.207 7.745 . 0 0 "[ . 1]" 1
425 1 36 LEU H 1 52 LEU HA 6.001 . 10.502 9.774 9.125 10.475 . 0 0 "[ . 1]" 1
426 1 36 LEU HA 1 36 LEU HG 2.854 . 3.872 3.681 3.590 4.046 0.174 1 0 "[ . 1]" 1
427 1 36 LEU HA 1 37 ASP H 3.359 . 4.770 3.486 3.460 3.518 . 0 0 "[ . 1]" 1
428 1 36 LEU HA 1 38 SER HB2 3.541 . 5.108 4.522 4.360 4.815 . 0 0 "[ . 1]" 1
429 1 36 LEU HA 1 50 LEU MD2 4.325 . 6.663 4.873 3.092 7.033 0.370 7 0 "[ . 1]" 1
430 1 36 LEU HA 1 64 PHE QD 4.409 . 6.839 5.491 5.040 5.963 . 0 0 "[ . 1]" 1
431 1 36 LEU HB3 1 37 ASP H 2.871 . 3.901 3.551 3.051 3.751 . 0 0 "[ . 1]" 1
432 1 36 LEU QD 1 37 ASP H 2.988 . 4.104 3.016 1.966 3.205 . 0 0 "[ . 1]" 1
433 1 36 LEU QD 1 37 ASP QB 4.550 . 7.138 3.762 3.050 4.236 . 0 0 "[ . 1]" 1
434 1 36 LEU QD 1 38 SER H 4.456 . 6.492 4.624 3.813 4.869 . 0 0 "[ . 1]" 1
435 1 36 LEU QD 1 38 SER HB2 5.001 . 8.127 5.797 5.121 6.019 . 0 0 "[ . 1]" 1
436 1 36 LEU QD 1 39 LEU QB . . 4.162 3.532 3.131 3.939 . 0 0 "[ . 1]" 1
437 1 36 LEU QD 1 50 LEU H 5.898 . 10.246 3.170 2.559 3.436 . 0 0 "[ . 1]" 1
438 1 36 LEU QD 1 50 LEU HA 3.953 . 5.906 4.631 4.166 4.893 . 0 0 "[ . 1]" 1
439 1 36 LEU QD 1 50 LEU HB3 3.131 . 4.357 4.277 3.010 5.191 0.834 4 3 "[ +. * -]" 1
440 1 36 LEU QD 1 52 LEU H 4.815 . 7.713 4.943 4.338 5.453 . 0 0 "[ . 1]" 1
441 1 36 LEU HG 1 37 ASP HA 3.232 . 4.537 3.470 3.034 4.907 0.370 1 0 "[ . 1]" 1
442 1 37 ASP H 1 37 ASP QB 2.907 . 3.884 2.200 2.172 2.262 . 0 0 "[ . 1]" 1
443 1 37 ASP H 1 38 SER H 2.652 . 3.531 2.706 2.589 2.762 . 0 0 "[ . 1]" 1
444 1 37 ASP H 1 39 LEU QD 4.632 . 7.315 4.689 4.142 5.208 . 0 0 "[ . 1]" 1
445 1 37 ASP H 1 39 LEU HG 4.618 . 7.284 6.219 4.308 7.346 0.062 4 0 "[ . 1]" 1
446 1 37 ASP H 1 40 SER H 3.448 . 4.934 4.925 4.721 5.123 0.189 1 0 "[ . 1]" 1
447 1 37 ASP HA 1 39 LEU HG 5.005 . 8.137 6.801 5.124 7.773 . 0 0 "[ . 1]" 1
448 1 37 ASP QB 1 38 SER H 3.239 . 3.272 2.591 2.488 2.709 . 0 0 "[ . 1]" 1
449 1 37 ASP QB 1 38 SER HA 4.284 . 6.578 4.054 3.786 4.296 . 0 0 "[ . 1]" 1
450 1 37 ASP QB 1 39 LEU QB 4.708 . 7.479 5.732 5.340 6.255 . 0 0 "[ . 1]" 1
451 1 37 ASP QB 1 48 GLU H 6.225 . 11.069 7.530 6.769 8.221 . 0 0 "[ . 1]" 1
452 1 38 SER H 1 38 SER HA 2.512 . 3.301 2.795 2.772 2.813 . 0 0 "[ . 1]" 1
453 1 38 SER H 1 38 SER HB2 3.884 . 5.770 2.261 2.059 2.329 . 0 0 "[ . 1]" 1
454 1 38 SER H 1 38 SER HB3 2.453 . 3.205 3.488 3.380 3.511 0.306 2 0 "[ . 1]" 1
455 1 38 SER H 1 39 LEU H 2.846 . 3.859 2.655 2.585 2.839 . 0 0 "[ . 1]" 1
456 1 38 SER H 1 49 ASN QB 6.136 . 10.842 9.220 8.902 9.742 . 0 0 "[ . 1]" 1
457 1 38 SER HA 1 39 LEU H 3.179 . 4.442 3.508 3.459 3.591 . 0 0 "[ . 1]" 1
458 1 38 SER HA 1 41 GLN HB3 3.123 . 4.342 4.144 3.633 4.495 0.153 9 0 "[ . 1]" 1
459 1 38 SER HB2 1 39 LEU QB 4.021 . 6.042 4.521 4.165 4.917 . 0 0 "[ . 1]" 1
460 1 38 SER HB3 1 39 LEU QD 5.073 . 8.290 3.607 3.209 4.253 . 0 0 "[ . 1]" 1
461 1 38 SER HB3 1 42 SER H 3.675 . 5.363 5.317 5.176 5.435 0.072 10 0 "[ . 1]" 1
462 1 39 LEU H 1 39 LEU HA 2.763 . 3.717 2.826 2.776 2.863 . 0 0 "[ . 1]" 1
463 1 39 LEU H 1 39 LEU QB 2.413 . 3.141 2.251 1.932 2.807 0.045 4 0 "[ . 1]" 1
464 1 39 LEU H 1 39 LEU QD 3.490 . 5.012 2.597 1.726 3.196 0.272 1 0 "[ . 1]" 1
465 1 39 LEU H 1 39 LEU HG 3.744 . 5.496 3.248 1.843 4.424 0.149 2 0 "[ . 1]" 1
466 1 39 LEU H 1 42 SER HB2 3.608 . 5.235 5.119 4.701 5.285 0.050 3 0 "[ . 1]" 1
467 1 39 LEU HA 1 43 VAL HB 5.632 . 9.596 5.881 5.144 6.278 . 0 0 "[ . 1]" 1
468 1 39 LEU HA 1 50 LEU HG 4.565 . 7.169 6.588 6.014 6.998 . 0 0 "[ . 1]" 1
469 1 39 LEU QB 1 40 SER H 2.765 . 3.721 2.279 2.193 2.368 . 0 0 "[ . 1]" 1
470 1 39 LEU QB 1 40 SER HA 2.936 . 4.013 3.689 3.580 3.821 . 0 0 "[ . 1]" 1
471 1 39 LEU QB 1 40 SER QB 3.254 . 4.578 3.984 3.832 4.183 . 0 0 "[ . 1]" 1
472 1 39 LEU QB 1 43 VAL MG1 4.946 . 8.004 5.771 5.076 6.098 . 0 0 "[ . 1]" 1
473 1 39 LEU QB 1 49 ASN HA 5.191 . 8.560 7.542 7.208 7.842 . 0 0 "[ . 1]" 1
474 1 39 LEU QB 1 80 LEU QD 4.528 . 7.091 2.866 2.554 3.277 . 0 0 "[ . 1]" 1
475 1 39 LEU QB 1 82 PHE H 5.078 . 8.301 6.301 5.980 6.675 . 0 0 "[ . 1]" 1
476 1 39 LEU QD 1 40 SER H 3.259 . 4.587 3.725 3.425 3.840 . 0 0 "[ . 1]" 1
477 1 39 LEU QD 1 40 SER HA 5.875 . 10.189 4.929 4.722 5.161 . 0 0 "[ . 1]" 1
478 1 39 LEU QD 1 43 VAL HB 5.723 . 9.818 5.959 5.388 6.432 . 0 0 "[ . 1]" 1
479 1 39 LEU QD 1 50 LEU HA 4.232 . 6.471 5.448 4.488 5.923 . 0 0 "[ . 1]" 1
480 1 39 LEU QD 1 50 LEU HB3 3.052 . 4.216 3.742 2.344 4.907 0.691 4 1 "[ +. 1]" 1
481 1 39 LEU QD 1 50 LEU HG 5.029 . 8.191 4.603 3.572 5.126 . 0 0 "[ . 1]" 1
482 1 39 LEU QD 1 51 ARG QD 5.687 . 9.730 6.710 5.999 7.071 . 0 0 "[ . 1]" 1
483 1 39 LEU QD 1 81 CYS H 5.720 . 9.809 5.823 5.234 6.562 . 0 0 "[ . 1]" 1
484 1 39 LEU HG 1 40 SER H 4.191 . 6.386 4.434 3.393 4.931 . 0 0 "[ . 1]" 1
485 1 39 LEU HG 1 40 SER HA 4.500 . 7.031 6.110 5.471 6.577 . 0 0 "[ . 1]" 1
486 1 40 SER H 1 40 SER HA 2.368 . 3.069 2.764 2.688 2.825 . 0 0 "[ . 1]" 1
487 1 40 SER H 1 40 SER QB 3.352 . 4.756 2.465 2.236 2.614 . 0 0 "[ . 1]" 1
488 1 40 SER H 1 41 GLN H 4.384 . 6.787 2.870 2.685 3.062 . 0 0 "[ . 1]" 1
489 1 40 SER H 1 41 GLN HB3 4.024 . 6.048 5.187 4.919 5.527 . 0 0 "[ . 1]" 1
490 1 40 SER H 1 43 VAL H 3.988 . 5.976 4.867 4.729 5.041 . 0 0 "[ . 1]" 1
491 1 40 SER H 1 43 VAL MG1 5.474 . 9.220 6.072 5.513 6.196 . 0 0 "[ . 1]" 1
492 1 40 SER H 1 48 GLU H 5.791 . 9.983 6.896 6.594 7.119 . 0 0 "[ . 1]" 1
493 1 40 SER H 1 48 GLU HA 4.756 . 7.583 7.777 7.698 7.862 0.279 8 0 "[ . 1]" 1
494 1 40 SER H 1 50 LEU H 3.445 . 4.928 5.055 4.877 5.289 0.361 9 0 "[ . 1]" 1
495 1 40 SER HA 1 41 GLN H 2.857 . 3.877 3.561 3.530 3.579 . 0 0 "[ . 1]" 1
496 1 40 SER HA 1 41 GLN HB3 3.853 . 5.709 5.770 5.714 5.803 0.094 9 0 "[ . 1]" 1
497 1 40 SER HA 1 43 VAL H 3.215 . 4.507 3.339 3.060 3.533 . 0 0 "[ . 1]" 1
498 1 40 SER HA 1 43 VAL MG1 3.812 . 5.629 3.828 3.433 4.005 . 0 0 "[ . 1]" 1
499 1 40 SER HA 1 45 VAL H 3.602 . 5.224 4.229 4.018 4.491 . 0 0 "[ . 1]" 1
500 1 40 SER HA 1 48 GLU H 4.983 . 8.087 6.398 6.065 6.646 . 0 0 "[ . 1]" 1
501 1 40 SER HA 1 50 LEU H 3.854 . 5.710 4.732 4.485 5.085 . 0 0 "[ . 1]" 1
502 1 40 SER HA 1 50 LEU HB3 3.848 . 5.699 5.772 5.142 6.662 0.963 4 2 "[ +. -]" 1
503 1 41 GLN H 1 41 GLN HA 2.500 . 3.281 2.834 2.819 2.842 . 0 0 "[ . 1]" 1
504 1 41 GLN H 1 41 GLN HB2 2.943 . 4.026 3.605 3.588 3.628 . 0 0 "[ . 1]" 1
505 1 41 GLN H 1 41 GLN HB3 2.175 . 2.766 2.469 2.347 2.588 . 0 0 "[ . 1]" 1
506 1 41 GLN H 1 41 GLN HG2 3.070 . 4.248 2.301 1.975 2.702 . 0 0 "[ . 1]" 1
507 1 41 GLN H 1 41 GLN HG3 2.446 . 3.194 3.475 3.273 3.746 0.552 1 2 "[+ . - 1]" 1
508 1 41 GLN H 1 42 SER H 2.804 . 3.787 2.564 2.532 2.583 . 0 0 "[ . 1]" 1
509 1 41 GLN H 1 42 SER HA 4.197 . 6.399 5.201 5.179 5.216 . 0 0 "[ . 1]" 1
510 1 41 GLN H 1 42 SER HB2 3.212 . 4.502 4.512 4.342 4.568 0.066 1 0 "[ . 1]" 1
511 1 41 GLN H 1 42 SER HB3 4.357 . 6.730 5.996 5.892 6.033 . 0 0 "[ . 1]" 1
512 1 41 GLN H 1 43 VAL H 4.620 . 7.288 3.832 3.741 3.938 . 0 0 "[ . 1]" 1
513 1 41 GLN H 1 43 VAL HA 4.713 . 7.489 6.722 6.633 6.846 . 0 0 "[ . 1]" 1
514 1 41 GLN H 1 43 VAL MG1 5.916 . 10.291 6.106 5.893 6.230 . 0 0 "[ . 1]" 1
515 1 41 GLN H 1 49 ASN QB 4.647 . 7.346 6.407 6.053 6.892 . 0 0 "[ . 1]" 1
516 1 41 GLN HA 1 41 GLN HB3 2.181 . 2.776 2.510 2.427 2.615 . 0 0 "[ . 1]" 1
517 1 41 GLN HA 1 41 GLN HG2 2.609 . 3.460 3.750 3.655 3.852 0.392 8 0 "[ . 1]" 1
518 1 41 GLN HA 1 41 GLN HG3 3.193 . 4.467 3.655 3.554 3.764 . 0 0 "[ . 1]" 1
519 1 41 GLN HA 1 43 VAL MG1 4.012 . 6.024 5.574 5.517 5.669 . 0 0 "[ . 1]" 1
520 1 41 GLN HA 1 44 HIS H 2.785 . 3.755 3.074 2.944 3.493 . 0 0 "[ . 1]" 1
521 1 41 GLN HB2 1 42 SER H 5.080 . 8.305 3.951 3.744 4.099 . 0 0 "[ . 1]" 1
522 1 41 GLN HB3 1 42 SER H 2.918 . 3.982 3.886 3.779 4.016 0.034 6 0 "[ . 1]" 1
523 1 41 GLN HG2 1 42 SER H 2.529 . 3.328 2.485 2.353 2.602 . 0 0 "[ . 1]" 1
524 1 41 GLN HG3 1 42 SER H 2.250 . 2.883 2.544 2.192 2.836 . 0 0 "[ . 1]" 1
525 1 41 GLN HG3 1 44 HIS H 3.730 . 5.469 5.001 4.672 5.383 . 0 0 "[ . 1]" 1
526 1 42 SER H 1 42 SER HA 2.336 . 3.018 2.795 2.772 2.810 . 0 0 "[ . 1]" 1
527 1 42 SER H 1 42 SER HB2 2.843 . 3.853 2.352 2.268 2.404 . 0 0 "[ . 1]" 1
528 1 42 SER H 1 42 SER HB3 2.703 . 3.616 3.533 3.494 3.544 . 0 0 "[ . 1]" 1
529 1 42 SER H 1 43 VAL H 3.165 . 4.417 2.604 2.532 2.661 . 0 0 "[ . 1]" 1
530 1 42 SER H 1 43 VAL HA 4.603 . 7.251 5.250 5.209 5.270 . 0 0 "[ . 1]" 1
531 1 42 SER H 1 43 VAL MG1 4.521 . 7.076 5.781 5.723 5.832 . 0 0 "[ . 1]" 1
532 1 42 SER H 1 43 VAL MG2 3.329 . 4.714 4.145 3.930 4.498 . 0 0 "[ . 1]" 1
533 1 42 SER HA 1 42 SER HB2 2.478 . 3.246 3.014 3.007 3.020 . 0 0 "[ . 1]" 1
534 1 42 SER HA 1 43 VAL H 2.636 . 3.504 3.430 3.389 3.473 . 0 0 "[ . 1]" 1
535 1 42 SER HA 1 43 VAL HB 4.453 . 6.931 5.691 5.580 5.735 . 0 0 "[ . 1]" 1
536 1 42 SER HA 1 43 VAL MG1 4.543 . 7.123 6.115 6.095 6.137 . 0 0 "[ . 1]" 1
537 1 42 SER HA 1 43 VAL MG2 4.050 . 6.101 4.718 4.617 4.811 . 0 0 "[ . 1]" 1
538 1 42 SER HA 1 45 VAL QG 5.427 . 9.108 6.281 6.164 6.399 . 0 0 "[ . 1]" 1
539 1 42 SER HB2 1 43 VAL H 3.228 . 4.531 2.892 2.710 3.037 . 0 0 "[ . 1]" 1
540 1 42 SER HB2 1 43 VAL MG1 5.292 . 8.793 5.468 5.371 5.528 . 0 0 "[ . 1]" 1
541 1 42 SER HB2 1 43 VAL MG2 3.165 . 4.418 3.028 2.865 3.281 . 0 0 "[ . 1]" 1
542 1 42 SER HB2 1 45 VAL H 4.125 . 6.252 6.325 6.283 6.378 0.126 6 0 "[ . 1]" 1
543 1 42 SER HB3 1 43 VAL H 2.868 . 3.896 3.796 3.595 3.910 0.014 6 0 "[ . 1]" 1
544 1 42 SER HB3 1 43 VAL MG1 4.636 . 7.322 5.921 5.757 6.014 . 0 0 "[ . 1]" 1
545 1 42 SER HB3 1 43 VAL MG2 2.915 . 3.977 3.732 3.455 3.836 . 0 0 "[ . 1]" 1
546 1 42 SER HB3 1 50 LEU H 5.984 . 10.461 10.538 10.288 10.717 0.256 9 0 "[ . 1]" 1
547 1 43 VAL H 1 43 VAL HA 2.939 . 4.019 2.907 2.890 2.920 . 0 0 "[ . 1]" 1
548 1 43 VAL H 1 43 VAL HB 3.149 . 4.389 2.327 2.225 2.388 . 0 0 "[ . 1]" 1
549 1 43 VAL H 1 43 VAL MG1 3.609 . 5.237 3.684 3.610 3.719 . 0 0 "[ . 1]" 1
550 1 43 VAL H 1 43 VAL MG2 2.829 . 3.829 2.527 2.375 2.898 . 0 0 "[ . 1]" 1
551 1 43 VAL H 1 44 HIS H 2.494 . 3.272 2.300 2.216 2.408 . 0 0 "[ . 1]" 1
552 1 43 VAL HA 1 43 VAL MG1 3.501 . 5.033 2.514 2.446 2.669 . 0 0 "[ . 1]" 1
553 1 43 VAL HA 1 43 VAL MG2 2.529 . 3.328 2.296 2.153 2.369 . 0 0 "[ . 1]" 1
554 1 43 VAL HA 1 44 HIS H 3.799 . 5.603 3.287 3.223 3.333 . 0 0 "[ . 1]" 1
555 1 43 VAL HB 1 43 VAL MG1 2.295 . 2.954 2.110 2.102 2.117 . 0 0 "[ . 1]" 1
556 1 43 VAL HB 1 43 VAL MG2 2.314 . 2.983 2.120 2.113 2.125 . 0 0 "[ . 1]" 1
557 1 43 VAL MG1 1 43 VAL MG2 3.192 . 4.466 2.079 2.059 2.091 . 0 0 "[ . 1]" 1
558 1 43 VAL MG1 1 44 HIS H 3.055 . 4.221 3.870 3.743 3.966 . 0 0 "[ . 1]" 1
559 1 43 VAL MG1 1 45 VAL H 2.826 . 3.824 3.356 2.967 3.594 . 0 0 "[ . 1]" 1
560 1 43 VAL MG1 1 45 VAL HB 2.463 . 3.221 2.462 1.943 2.745 . 0 0 "[ . 1]" 1
561 1 43 VAL MG1 1 45 VAL QG . . 3.862 2.016 1.830 2.114 0.160 9 0 "[ . 1]" 1
562 1 43 VAL MG2 1 44 HIS H 4.449 . 6.923 4.155 4.086 4.302 . 0 0 "[ . 1]" 1
563 1 43 VAL MG2 1 45 VAL H 4.121 . 6.244 4.660 4.470 4.912 . 0 0 "[ . 1]" 1
564 1 43 VAL MG2 1 45 VAL QG 4.514 . 7.061 3.243 3.079 3.505 . 0 0 "[ . 1]" 1
565 1 43 VAL MG2 1 46 LYS QB 7.487 . 14.494 7.989 7.687 8.403 . 0 0 "[ . 1]" 1
566 1 44 HIS H 1 44 HIS HA 2.483 . 3.253 2.277 2.268 2.288 . 0 0 "[ . 1]" 1
567 1 44 HIS H 1 44 HIS HB2 2.843 . 3.853 3.467 3.165 3.741 . 0 0 "[ . 1]" 1
568 1 44 HIS H 1 44 HIS HB3 3.250 . 4.570 3.986 3.608 4.130 . 0 0 "[ . 1]" 1
569 1 44 HIS H 1 45 VAL H 2.921 . 3.988 2.473 2.396 2.525 . 0 0 "[ . 1]" 1
570 1 44 HIS H 1 45 VAL HA 4.262 . 6.533 5.165 5.114 5.208 . 0 0 "[ . 1]" 1
571 1 44 HIS H 1 45 VAL HB 3.691 . 5.394 4.991 4.581 5.098 . 0 0 "[ . 1]" 1
572 1 44 HIS H 1 45 VAL QG 3.535 . 5.097 3.760 3.603 3.857 . 0 0 "[ . 1]" 1
573 1 44 HIS HA 1 44 HIS HB2 2.965 . 4.064 2.873 2.471 3.040 . 0 0 "[ . 1]" 1
574 1 44 HIS HA 1 44 HIS HB3 2.778 . 3.743 2.662 2.386 3.039 . 0 0 "[ . 1]" 1
575 1 44 HIS HA 1 45 VAL H 2.227 . 2.847 2.811 2.664 2.880 0.033 10 0 "[ . 1]" 1
576 1 44 HIS HA 1 45 VAL HB 4.434 . 6.891 5.154 4.926 5.277 . 0 0 "[ . 1]" 1
577 1 44 HIS HA 1 45 VAL QG 4.095 . 6.191 4.484 4.378 4.540 . 0 0 "[ . 1]" 1
578 1 44 HIS HA 1 46 LYS H 5.280 . 8.765 6.224 6.060 6.408 . 0 0 "[ . 1]" 1
579 1 44 HIS HA 1 49 ASN H 5.563 . 9.432 9.437 9.326 9.569 0.137 5 0 "[ . 1]" 1
580 1 44 HIS HB2 1 45 VAL H 2.980 . 4.090 4.231 3.989 4.489 0.399 6 0 "[ . 1]" 1
581 1 44 HIS HB3 1 45 VAL H 3.164 . 4.416 4.303 4.053 4.460 0.044 10 0 "[ . 1]" 1
582 1 44 HIS HB3 1 45 VAL QG 6.011 . 10.528 5.033 4.710 5.326 . 0 0 "[ . 1]" 1
583 1 44 HIS HB3 1 46 LYS H 6.012 . 10.530 7.089 6.834 7.292 . 0 0 "[ . 1]" 1
584 1 45 VAL H 1 45 VAL HA 2.393 . 3.109 2.930 2.922 2.936 . 0 0 "[ . 1]" 1
585 1 45 VAL H 1 45 VAL HB 2.715 . 3.636 3.100 2.955 3.224 . 0 0 "[ . 1]" 1
586 1 45 VAL H 1 45 VAL QG 3.324 . 3.605 2.291 2.168 2.366 . 0 0 "[ . 1]" 1
587 1 45 VAL H 1 49 ASN QB 4.777 . 7.630 5.287 5.107 5.677 . 0 0 "[ . 1]" 1
588 1 45 VAL HA 1 46 LYS QB 3.892 . 5.785 4.514 4.441 4.646 . 0 0 "[ . 1]" 1
589 1 45 VAL HA 1 49 ASN H 5.287 . 8.781 6.705 6.518 6.969 . 0 0 "[ . 1]" 1
590 1 45 VAL HA 1 86 SER H 5.207 . 8.595 7.123 6.251 8.339 . 0 0 "[ . 1]" 1
591 1 45 VAL HB 1 46 LYS H 3.298 . 4.658 3.990 3.958 4.027 . 0 0 "[ . 1]" 1
592 1 45 VAL QG 1 46 LYS H 1.918 . 2.378 1.956 1.816 2.089 0.035 5 0 "[ . 1]" 1
593 1 45 VAL QG 1 46 LYS HA 3.138 . 4.369 3.637 3.598 3.669 . 0 0 "[ . 1]" 1
594 1 45 VAL QG 1 46 LYS QE 2.287 . 2.941 2.618 2.408 2.742 . 0 0 "[ . 1]" 1
595 1 45 VAL QG 1 48 GLU QG 3.542 . 5.110 3.824 2.616 4.351 . 0 0 "[ . 1]" 1
596 1 45 VAL QG 1 49 ASN H 2.587 . 3.424 3.126 2.981 3.341 . 0 0 "[ . 1]" 1
597 1 46 LYS H 1 46 LYS HA 2.731 . 3.663 2.801 2.796 2.806 . 0 0 "[ . 1]" 1
598 1 46 LYS H 1 46 LYS QB 1.988 . 2.482 2.383 2.291 2.523 0.041 5 0 "[ . 1]" 1
599 1 46 LYS H 1 46 LYS QE . . 2.067 2.095 2.023 2.267 0.200 3 0 "[ . 1]" 1
600 1 46 LYS H 1 48 GLU HB2 4.041 . 6.083 5.886 5.332 7.049 0.966 6 1 "[ .+ 1]" 1
601 1 46 LYS H 1 50 LEU H 5.451 . 9.166 7.967 7.651 8.594 . 0 0 "[ . 1]" 1
602 1 46 LYS H 1 86 SER QB 3.618 . 5.254 4.435 3.413 5.302 0.048 5 0 "[ . 1]" 1
603 1 46 LYS HA 1 46 LYS QB 4.788 . 7.654 2.387 2.177 2.446 . 0 0 "[ . 1]" 1
604 1 48 GLU H 1 48 GLU HA 2.486 . 3.259 2.769 2.761 2.778 . 0 0 "[ . 1]" 1
605 1 48 GLU H 1 48 GLU HB2 2.512 . 3.301 2.943 2.700 3.474 0.173 6 0 "[ . 1]" 1
606 1 48 GLU H 1 48 GLU HB3 2.540 . 3.346 3.329 2.278 3.499 0.153 8 0 "[ . 1]" 1
607 1 48 GLU H 1 48 GLU QG 2.553 . 3.223 1.692 1.574 2.301 0.164 9 0 "[ . 1]" 1
608 1 48 GLU H 1 49 ASN H 2.269 . 2.913 2.858 2.772 2.933 0.020 6 0 "[ . 1]" 1
609 1 48 GLU H 1 49 ASN QB 4.665 . 7.385 4.518 4.338 4.754 . 0 0 "[ . 1]" 1
610 1 48 GLU H 1 50 LEU H 4.366 . 6.749 4.953 4.650 5.224 . 0 0 "[ . 1]" 1
611 1 48 GLU H 1 84 LEU HA 6.295 . 11.249 8.921 7.465 9.521 . 0 0 "[ . 1]" 1
612 1 48 GLU HA 1 48 GLU QG 2.653 . 3.533 2.991 2.688 3.415 . 0 0 "[ . 1]" 1
613 1 48 GLU HA 1 50 LEU H 3.900 . 5.802 4.295 3.910 4.573 . 0 0 "[ . 1]" 1
614 1 48 GLU HB2 1 49 ASN H 2.516 . 3.307 3.441 3.258 4.299 0.992 6 1 "[ .+ 1]" 1
615 1 48 GLU HB2 1 50 LEU HA 6.508 . 11.802 7.460 7.278 7.849 . 0 0 "[ . 1]" 1
616 1 48 GLU HB2 1 86 SER H 4.493 . 7.016 6.618 6.170 7.056 0.040 10 0 "[ . 1]" 1
617 1 48 GLU HB2 1 86 SER QB 3.897 . 5.795 3.961 3.351 5.651 . 0 0 "[ . 1]" 1
618 1 48 GLU HB3 1 49 ASN H 3.040 . 4.195 4.347 4.254 4.423 0.228 1 0 "[ . 1]" 1
619 1 48 GLU QG 1 49 ASN H 2.861 . 3.884 3.736 2.799 3.979 0.095 8 0 "[ . 1]" 1
620 1 48 GLU QG 1 50 LEU HA 5.273 . 8.749 7.979 7.243 8.188 . 0 0 "[ . 1]" 1
621 1 48 GLU QG 1 86 SER H 5.087 . 8.322 7.219 4.635 7.822 . 0 0 "[ . 1]" 1
622 1 49 ASN H 1 49 ASN QB 2.947 . 3.713 2.219 2.095 2.526 . 0 0 "[ . 1]" 1
623 1 49 ASN H 1 50 LEU H 2.365 . 3.064 2.577 2.435 2.690 . 0 0 "[ . 1]" 1
624 1 49 ASN HA 1 49 ASN QB 3.070 . 4.248 2.451 2.160 2.533 . 0 0 "[ . 1]" 1
625 1 49 ASN HA 1 50 LEU H 4.703 . 7.468 3.507 3.449 3.576 . 0 0 "[ . 1]" 1
626 1 49 ASN HA 1 50 LEU MD2 4.397 . 6.814 5.390 4.269 6.158 . 0 0 "[ . 1]" 1
627 1 49 ASN QB 1 50 LEU HB2 3.138 . 4.369 4.321 3.817 4.866 0.497 10 0 "[ . 1]" 1
628 1 49 ASN QB 1 50 LEU MD1 . . 3.306 2.409 1.609 3.146 0.390 4 0 "[ . 1]" 1
629 1 49 ASN QB 1 50 LEU MD2 4.279 . 6.568 3.497 2.206 4.575 . 0 0 "[ . 1]" 1
630 1 49 ASN QB 1 84 LEU H . . 3.829 3.666 3.088 3.890 0.061 10 0 "[ . 1]" 1
631 1 49 ASN QB 1 84 LEU HB2 . . 3.755 3.880 3.167 4.747 0.992 8 3 "[ - .* + 1]" 1
632 1 49 ASN QB 1 86 SER H 4.003 . 6.006 4.976 4.181 6.028 0.022 5 0 "[ . 1]" 1
633 1 50 LEU H 1 50 LEU HB2 2.947 . 4.033 2.755 2.227 3.312 . 0 0 "[ . 1]" 1
634 1 50 LEU H 1 50 LEU HB3 2.902 . 3.955 3.670 3.308 3.924 . 0 0 "[ . 1]" 1
635 1 50 LEU H 1 50 LEU MD1 3.141 . 4.374 2.730 1.759 3.798 0.149 9 0 "[ . 1]" 1
636 1 50 LEU H 1 50 LEU MD2 3.615 . 5.248 3.717 2.047 4.306 . 0 0 "[ . 1]" 1
637 1 50 LEU H 1 50 LEU HG 3.066 . 4.241 3.622 1.812 4.539 0.298 6 0 "[ . 1]" 1
638 1 50 LEU H 1 80 LEU QD 6.520 . 11.834 4.354 3.915 4.812 . 0 0 "[ . 1]" 1
639 1 50 LEU HA 1 51 ARG H 2.696 . 3.605 2.232 2.131 2.321 . 0 0 "[ . 1]" 1
640 1 50 LEU HA 1 52 LEU H 3.652 . 5.319 5.231 4.915 5.458 0.139 4 0 "[ . 1]" 1
641 1 50 LEU HA 1 52 LEU QB 4.176 . 6.356 5.439 5.212 5.936 . 0 0 "[ . 1]" 1
642 1 50 LEU HA 1 80 LEU H 5.246 . 8.686 8.736 8.544 8.882 0.196 7 0 "[ . 1]" 1
643 1 50 LEU HA 1 81 CYS HA 4.391 . 6.801 6.273 5.708 6.805 0.004 5 0 "[ . 1]" 1
644 1 50 LEU HA 1 82 PHE H 3.022 . 4.163 4.169 3.505 4.952 0.789 5 1 "[ + 1]" 1
645 1 50 LEU HA 1 84 LEU H 3.343 . 4.740 4.529 4.179 5.163 0.423 5 0 "[ . 1]" 1
646 1 50 LEU HB2 1 84 LEU H 5.230 . 8.649 6.498 6.029 7.460 . 0 0 "[ . 1]" 1
647 1 50 LEU HB3 1 51 ARG HB3 3.541 . 5.108 5.472 4.997 6.094 0.986 5 4 "[ *+ * -]" 1
648 1 50 LEU HB3 1 80 LEU QD 2.082 . 2.624 2.016 1.498 2.570 0.042 8 0 "[ . 1]" 1
649 1 50 LEU MD1 1 50 LEU HG 2.421 . 3.154 2.122 2.090 2.143 . 0 0 "[ . 1]" 1
650 1 50 LEU MD1 1 84 LEU H 4.288 . 6.586 4.348 2.795 6.797 0.211 5 0 "[ . 1]" 1
651 1 50 LEU HG 1 80 LEU QD 3.150 . 4.390 3.125 2.006 4.155 . 0 0 "[ . 1]" 1
652 1 50 LEU HG 1 83 GLU H 3.954 . 5.909 5.996 5.298 6.325 0.416 9 0 "[ . 1]" 1
653 1 51 ARG H 1 51 ARG HB2 3.105 . 4.310 3.950 3.723 4.027 . 0 0 "[ . 1]" 1
654 1 51 ARG H 1 51 ARG HB3 3.148 . 4.386 3.354 3.224 3.745 . 0 0 "[ . 1]" 1
655 1 51 ARG H 1 51 ARG QD 1.809 . 2.218 1.907 1.694 2.262 0.044 7 0 "[ . 1]" 1
656 1 51 ARG H 1 52 LEU MD2 5.570 . 9.448 5.657 4.737 5.999 . 0 0 "[ . 1]" 1
657 1 51 ARG H 1 65 LEU H 7.134 . 13.496 9.767 9.195 10.491 . 0 0 "[ . 1]" 1
658 1 51 ARG H 1 82 PHE QB 5.400 . 9.044 1.949 1.698 2.289 0.058 3 0 "[ . 1]" 1
659 1 51 ARG H 1 83 GLU H 3.550 . 5.126 4.953 4.187 5.245 0.119 8 0 "[ . 1]" 1
660 1 51 ARG HA 1 64 PHE H 4.107 . 6.216 5.353 4.562 6.249 0.033 10 0 "[ . 1]" 1
661 1 51 ARG HB2 1 53 ALA H 4.073 . 6.147 5.522 5.185 6.031 . 0 0 "[ . 1]" 1
662 1 51 ARG HB3 1 51 ARG QD 2.815 . 3.806 2.838 2.407 3.517 . 0 0 "[ . 1]" 1
663 1 51 ARG HB3 1 80 LEU HA 5.580 . 9.472 7.974 7.512 8.518 . 0 0 "[ . 1]" 1
664 1 51 ARG QD 1 81 CYS H 4.326 . 6.665 6.564 6.496 6.656 . 0 0 "[ . 1]" 1
665 1 51 ARG QD 1 82 PHE H 5.080 . 8.305 5.982 5.412 6.555 . 0 0 "[ . 1]" 1
666 1 51 ARG QD 1 83 GLU H 3.682 . 5.377 5.163 4.588 5.336 . 0 0 "[ . 1]" 1
667 1 52 LEU H 1 52 LEU QB 2.684 . 3.585 2.761 2.687 2.829 . 0 0 "[ . 1]" 1
668 1 52 LEU H 1 52 LEU MD1 3.682 . 5.377 4.351 4.228 4.704 . 0 0 "[ . 1]" 1
669 1 52 LEU H 1 52 LEU MD2 4.366 . 6.749 4.635 3.965 4.790 . 0 0 "[ . 1]" 1
670 1 52 LEU H 1 52 LEU HG 4.409 . 6.839 4.583 3.947 5.122 . 0 0 "[ . 1]" 1
671 1 52 LEU H 1 53 ALA MB 3.973 . 5.946 4.274 3.856 4.687 . 0 0 "[ . 1]" 1
672 1 52 LEU H 1 80 LEU QB 3.733 . 5.475 2.238 1.635 2.870 0.356 1 0 "[ . 1]" 1
673 1 52 LEU QB 1 52 LEU HG 2.353 . 3.045 2.331 2.154 2.404 . 0 0 "[ . 1]" 1
674 1 52 LEU QB 1 53 ALA H 3.704 . 5.419 3.854 3.180 4.043 . 0 0 "[ . 1]" 1
675 1 52 LEU QB 1 53 ALA MB 6.043 . 10.608 4.771 4.445 4.975 . 0 0 "[ . 1]" 1
676 1 52 LEU QB 1 54 GLU H 6.076 . 10.690 4.785 3.908 5.250 . 0 0 "[ . 1]" 1
677 1 52 LEU QB 1 64 PHE H 4.348 . 6.712 4.278 3.981 4.773 . 0 0 "[ . 1]" 1
678 1 52 LEU QB 1 80 LEU H 4.363 . 5.137 4.957 4.339 5.200 0.063 7 0 "[ . 1]" 1
679 1 52 LEU QB 1 80 LEU HA 3.052 . 3.478 2.346 1.780 2.593 0.108 8 0 "[ . 1]" 1
680 1 52 LEU QB 1 80 LEU QD 3.789 . 5.583 2.844 1.892 3.567 0.103 8 0 "[ . 1]" 1
681 1 52 LEU MD1 1 53 ALA H 3.701 . 5.413 3.112 2.487 4.629 . 0 0 "[ . 1]" 1
682 1 52 LEU MD1 1 65 LEU HB3 5.628 . 9.588 8.819 8.367 10.253 0.665 4 1 "[ +. 1]" 1
683 1 52 LEU MD2 1 53 ALA H 4.586 . 7.214 4.418 3.125 4.969 . 0 0 "[ . 1]" 1
684 1 52 LEU MD2 1 64 PHE HB2 4.299 . 6.609 5.506 3.578 6.782 0.173 3 0 "[ . 1]" 1
685 1 52 LEU MD2 1 80 LEU QB 4.241 . 6.490 4.683 4.154 5.170 . 0 0 "[ . 1]" 1
686 1 52 LEU HG 1 53 ALA H 4.017 . 6.035 3.645 2.751 5.365 . 0 0 "[ . 1]" 1
687 1 52 LEU HG 1 79 LEU H 5.123 . 8.403 6.858 5.393 8.542 0.139 4 0 "[ . 1]" 1
688 1 52 LEU HG 1 80 LEU QB 3.587 . 5.195 4.745 3.578 5.193 . 0 0 "[ . 1]" 1
689 1 53 ALA H 1 65 LEU HA 5.026 . 8.184 6.096 5.843 6.470 . 0 0 "[ . 1]" 1
690 1 53 ALA H 1 78 THR H 6.076 . 10.690 8.732 8.184 9.158 . 0 0 "[ . 1]" 1
691 1 53 ALA H 1 80 LEU H 5.115 . 8.385 6.960 6.736 7.210 . 0 0 "[ . 1]" 1
692 1 53 ALA H 1 80 LEU HA 4.610 . 7.267 4.684 4.533 4.882 . 0 0 "[ . 1]" 1
693 1 53 ALA H 1 80 LEU QB 3.822 . 5.648 4.601 4.192 5.018 . 0 0 "[ . 1]" 1
694 1 53 ALA H 1 81 CYS HA 5.628 . 9.587 8.324 8.143 8.719 . 0 0 "[ . 1]" 1
695 1 53 ALA H 1 81 CYS QB 5.374 . 8.984 7.551 6.762 8.225 . 0 0 "[ . 1]" 1
696 1 53 ALA HA 1 53 ALA MB 2.976 . 4.083 2.117 2.110 2.123 . 0 0 "[ . 1]" 1
697 1 53 ALA HA 1 54 GLU H 2.713 . 3.633 2.138 2.098 2.216 . 0 0 "[ . 1]" 1
698 1 53 ALA HA 1 63 VAL H 4.131 . 6.264 5.626 5.446 6.645 0.381 10 0 "[ . 1]" 1
699 1 53 ALA HA 1 64 PHE H 3.237 . 4.547 4.801 4.556 4.926 0.379 2 0 "[ . 1]" 1
700 1 53 ALA HA 1 77 ASP QB 5.178 . 8.530 7.795 6.747 8.100 . 0 0 "[ . 1]" 1
701 1 53 ALA HA 1 78 THR MG 5.025 . 8.181 4.458 3.004 6.120 . 0 0 "[ . 1]" 1
702 1 53 ALA HA 1 80 LEU QB 2.735 . 3.670 3.249 2.767 3.545 . 0 0 "[ . 1]" 1
703 1 53 ALA HA 1 80 LEU QD 6.356 . 11.405 4.383 3.978 4.845 . 0 0 "[ . 1]" 1
704 1 53 ALA MB 1 54 GLU HA 3.323 . 4.703 4.065 3.552 4.203 . 0 0 "[ . 1]" 1
705 1 53 ALA MB 1 55 VAL HA 4.246 . 6.499 5.269 4.783 5.513 . 0 0 "[ . 1]" 1
706 1 53 ALA MB 1 64 PHE H 3.587 . 5.195 3.616 2.980 3.945 . 0 0 "[ . 1]" 1
707 1 53 ALA MB 1 64 PHE HB2 3.340 . 4.734 3.001 1.819 3.498 0.127 6 0 "[ . 1]" 1
708 1 53 ALA MB 1 79 LEU HA 4.959 . 8.033 5.269 4.741 5.682 . 0 0 "[ . 1]" 1
709 1 53 ALA MB 1 80 LEU H 4.968 . 8.054 5.328 4.650 5.883 . 0 0 "[ . 1]" 1
710 1 54 GLU H 1 54 GLU QB . . 2.845 2.713 2.120 2.949 0.104 10 0 "[ . 1]" 1
711 1 54 GLU H 1 54 GLU HG2 3.178 . 4.440 2.596 2.184 3.956 . 0 0 "[ . 1]" 1
712 1 54 GLU H 1 77 ASP QB 4.869 . 7.832 7.009 6.082 7.474 . 0 0 "[ . 1]" 1
713 1 54 GLU H 1 79 LEU QB 2.928 . 4.000 3.649 3.077 4.509 0.509 9 1 "[ . +1]" 1
714 1 54 GLU HA 1 55 VAL H 2.228 . 2.849 2.118 2.072 2.203 . 0 0 "[ . 1]" 1
715 1 54 GLU HA 1 55 VAL MG1 3.737 . 5.483 4.627 3.829 5.121 . 0 0 "[ . 1]" 1
716 1 54 GLU QB 1 55 VAL H 3.530 . 5.088 3.252 2.919 3.808 . 0 0 "[ . 1]" 1
717 1 54 GLU QB 1 55 VAL MG2 4.260 . 6.528 4.403 4.036 4.861 . 0 0 "[ . 1]" 1
718 1 54 GLU QB 1 63 VAL MG1 5.379 . 8.996 5.067 4.614 5.827 . 0 0 "[ . 1]" 1
719 1 54 GLU QB 1 64 PHE H 5.219 . 8.624 6.311 6.002 6.559 . 0 0 "[ . 1]" 1
720 1 54 GLU QB 1 64 PHE HB2 5.520 . 9.328 7.145 6.792 7.752 . 0 0 "[ . 1]" 1
721 1 54 GLU QB 1 78 THR HB 3.860 . 5.722 5.080 3.415 6.423 0.701 8 1 "[ . + 1]" 1
722 1 54 GLU QB 1 79 LEU HA 4.409 . 6.839 5.798 3.912 6.244 . 0 0 "[ . 1]" 1
723 1 54 GLU QB 1 79 LEU QB 3.680 . 5.373 3.935 2.155 4.897 . 0 0 "[ . 1]" 1
724 1 54 GLU HG2 1 56 ILE QG 4.836 . 7.759 5.647 4.187 6.959 . 0 0 "[ . 1]" 1
725 1 54 GLU HG2 1 78 THR H 4.416 . 6.853 6.441 5.344 7.252 0.399 1 0 "[ . 1]" 1
726 1 54 GLU HG2 1 79 LEU H 3.000 . 4.125 2.850 2.532 3.338 . 0 0 "[ . 1]" 1
727 1 54 GLU HG2 1 79 LEU HA 3.478 . 4.990 4.629 4.108 5.225 0.235 4 0 "[ . 1]" 1
728 1 54 GLU HG2 1 79 LEU QB 3.386 . 4.819 2.499 1.645 3.229 0.308 3 0 "[ . 1]" 1
729 1 54 GLU HG2 1 79 LEU HG 4.024 . 6.048 5.167 3.909 6.068 0.020 9 0 "[ . 1]" 1
730 1 54 GLU HG2 1 80 LEU H 4.416 . 6.853 5.250 4.620 6.521 . 0 0 "[ . 1]" 1
731 1 55 VAL H 1 55 VAL HB 3.167 . 4.421 3.325 2.926 3.697 . 0 0 "[ . 1]" 1
732 1 55 VAL H 1 55 VAL MG1 3.644 . 5.304 3.405 2.782 3.713 . 0 0 "[ . 1]" 1
733 1 55 VAL H 1 55 VAL MG2 3.208 . 4.494 1.879 1.533 2.040 0.389 6 0 "[ . 1]" 1
734 1 55 VAL H 1 56 ILE HA 4.050 . 6.101 5.099 4.864 5.411 . 0 0 "[ . 1]" 1
735 1 55 VAL H 1 63 VAL H 3.590 . 5.201 4.999 4.475 5.487 0.286 10 0 "[ . 1]" 1
736 1 55 VAL H 1 79 LEU HA 5.474 . 9.220 7.682 7.433 8.027 . 0 0 "[ . 1]" 1
737 1 55 VAL HA 1 56 ILE H 2.202 . 2.808 2.227 2.170 2.308 . 0 0 "[ . 1]" 1
738 1 55 VAL HA 1 59 ARG H 4.825 . 7.736 6.632 6.197 7.205 . 0 0 "[ . 1]" 1
739 1 55 VAL HA 1 77 ASP HA 2.685 . 3.586 3.590 2.869 4.909 1.323 4 1 "[ +. 1]" 1
740 1 55 VAL HB 1 56 ILE H 3.377 . 4.802 3.315 2.675 3.813 . 0 0 "[ . 1]" 1
741 1 55 VAL HB 1 59 ARG H 3.355 . 4.762 4.417 3.948 4.767 0.005 2 0 "[ . 1]" 1
742 1 55 VAL MG1 1 56 ILE H 3.480 . 4.993 2.970 2.422 4.006 . 0 0 "[ . 1]" 1
743 1 55 VAL MG1 1 59 ARG HB2 2.954 . 4.045 3.012 2.443 3.875 . 0 0 "[ . 1]" 1
744 1 55 VAL MG1 1 59 ARG QG 3.931 . 5.862 2.343 1.687 3.555 0.313 6 0 "[ . 1]" 1
745 1 55 VAL MG1 1 77 ASP H 3.937 . 5.874 5.167 4.498 5.624 . 0 0 "[ . 1]" 1
746 1 55 VAL MG1 1 78 THR H 4.440 . 6.904 2.679 1.830 4.793 0.146 2 0 "[ . 1]" 1
747 1 55 VAL MG1 1 78 THR HB 3.435 . 4.910 3.291 1.662 4.625 0.298 2 0 "[ . 1]" 1
748 1 55 VAL MG2 1 56 ILE HB 5.094 . 8.338 6.398 5.559 6.954 . 0 0 "[ . 1]" 1
749 1 55 VAL MG2 1 57 LYS HA 6.526 . 11.850 7.424 6.547 8.053 . 0 0 "[ . 1]" 1
750 1 55 VAL MG2 1 59 ARG HB2 2.633 . 3.500 2.523 1.754 3.366 0.012 8 0 "[ . 1]" 1
751 1 55 VAL MG2 1 63 VAL H 4.223 . 6.452 4.616 4.199 5.031 . 0 0 "[ . 1]" 1
752 1 55 VAL MG2 1 77 ASP HA 5.084 . 8.315 5.537 4.931 6.893 . 0 0 "[ . 1]" 1
753 1 55 VAL MG2 1 78 THR HB 3.749 . 5.506 3.833 1.883 5.246 0.109 5 0 "[ . 1]" 1
754 1 56 ILE H 1 56 ILE HB 3.610 . 5.239 3.177 2.329 3.789 . 0 0 "[ . 1]" 1
755 1 56 ILE H 1 56 ILE QG 3.055 . 4.221 2.540 1.956 3.986 . 0 0 "[ . 1]" 1
756 1 56 ILE H 1 59 ARG HB2 3.821 . 5.646 4.615 3.274 5.713 0.067 4 0 "[ . 1]" 1
757 1 56 ILE H 1 78 THR HB 4.668 . 7.392 5.507 4.233 6.980 . 0 0 "[ . 1]" 1
758 1 56 ILE HA 1 59 ARG QG 3.445 . 4.929 4.582 3.949 4.917 . 0 0 "[ . 1]" 1
759 1 56 ILE HA 1 78 THR HB 6.071 . 10.678 7.583 5.411 9.338 . 0 0 "[ . 1]" 1
760 1 56 ILE HB 1 57 LYS H 3.524 . 5.076 3.143 1.816 4.152 0.156 9 0 "[ . 1]" 1
761 1 56 ILE HB 1 59 ARG HD2 5.605 . 9.532 8.432 7.628 9.492 . 0 0 "[ . 1]" 1
762 1 56 ILE QG 1 77 ASP HA 3.095 . 4.292 3.558 1.975 4.263 . 0 0 "[ . 1]" 1
763 1 57 LYS H 1 57 LYS QE 2.534 . 3.337 3.420 2.492 4.550 1.213 5 1 "[ + 1]" 1
764 1 57 LYS HA 1 57 LYS QE 3.882 . 5.766 3.001 1.746 4.873 0.252 2 0 "[ . 1]" 1
765 1 57 LYS HA 1 59 ARG H 3.598 . 5.216 4.399 3.981 4.866 . 0 0 "[ . 1]" 1
766 1 57 LYS HA 1 77 ASP QB 5.844 . 10.113 7.474 4.523 8.527 . 0 0 "[ . 1]" 1
767 1 59 ARG H 1 59 ARG HA 2.691 . 3.596 2.857 2.803 2.939 . 0 0 "[ . 1]" 1
768 1 59 ARG H 1 59 ARG HB2 2.831 . 3.833 3.171 2.716 3.645 . 0 0 "[ . 1]" 1
769 1 59 ARG H 1 59 ARG HD2 2.815 . 3.805 3.740 1.875 4.394 0.589 10 2 "[ . - +]" 1
770 1 59 ARG H 1 59 ARG QG 3.055 . 4.221 1.791 1.546 2.255 0.343 1 0 "[ . 1]" 1
771 1 59 ARG HA 1 59 ARG HB2 2.058 . 2.587 2.815 2.563 3.015 0.428 7 0 "[ . 1]" 1
772 1 59 ARG HB2 1 59 ARG HD2 2.740 . 3.678 3.552 2.574 3.773 0.095 6 0 "[ . 1]" 1
773 1 59 ARG HB2 1 59 ARG QG 2.159 . 2.742 2.167 2.125 2.290 . 0 0 "[ . 1]" 1
774 1 63 VAL H 1 63 VAL HB 2.698 . 3.608 3.581 2.773 3.790 0.182 6 0 "[ . 1]" 1
775 1 63 VAL H 1 63 VAL MG1 2.584 . 3.419 2.975 1.910 3.889 0.470 8 0 "[ . 1]" 1
776 1 63 VAL H 1 63 VAL MG2 3.244 . 4.560 2.339 1.776 3.810 0.152 10 0 "[ . 1]" 1
777 1 63 VAL H 1 64 PHE H 3.347 . 4.747 4.436 4.364 4.541 . 0 0 "[ . 1]" 1
778 1 63 VAL H 1 65 LEU HG 3.403 . 4.851 3.990 3.377 4.613 . 0 0 "[ . 1]" 1
779 1 63 VAL HA 1 63 VAL MG1 2.899 . 3.950 2.426 2.287 3.207 . 0 0 "[ . 1]" 1
780 1 63 VAL HB 1 63 VAL MG1 2.788 . 3.759 2.122 2.105 2.131 . 0 0 "[ . 1]" 1
781 1 63 VAL HB 1 65 LEU HB2 4.550 . 7.138 7.097 6.227 8.023 0.885 4 1 "[ +. 1]" 1
782 1 63 VAL HB 1 65 LEU HG 4.975 . 8.069 4.983 3.988 5.753 . 0 0 "[ . 1]" 1
783 1 63 VAL MG1 1 64 PHE H 3.387 . 4.821 3.572 2.128 4.066 . 0 0 "[ . 1]" 1
784 1 63 VAL MG1 1 68 HIS QB 7.208 . 13.703 8.880 7.147 9.802 . 0 0 "[ . 1]" 1
785 1 63 VAL MG1 1 79 LEU QB 6.142 . 10.857 8.240 7.889 8.905 . 0 0 "[ . 1]" 1
786 1 63 VAL MG2 1 65 LEU HB2 4.269 . 6.548 5.271 4.787 7.184 0.636 8 1 "[ . + 1]" 1
787 1 63 VAL MG2 1 65 LEU HB3 4.074 . 6.149 5.081 4.661 7.118 0.969 8 1 "[ . + 1]" 1
788 1 64 PHE H 1 64 PHE HB2 2.150 . 2.728 2.503 2.310 3.503 0.775 3 1 "[ + . 1]" 1
789 1 64 PHE H 1 64 PHE QD 3.092 . 4.287 3.995 3.142 4.159 . 0 0 "[ . 1]" 1
790 1 64 PHE H 1 65 LEU H 4.218 . 6.442 4.330 4.225 4.379 . 0 0 "[ . 1]" 1
791 1 64 PHE H 1 65 LEU HA 3.537 . 5.100 5.220 5.103 5.264 0.164 8 0 "[ . 1]" 1
792 1 64 PHE HB2 1 64 PHE QD 1.754 . 2.138 2.303 2.198 2.714 0.576 6 1 "[ .+ 1]" 1
793 1 64 PHE HB2 1 65 LEU MD1 5.488 . 9.253 6.843 5.301 7.193 . 0 0 "[ . 1]" 1
794 1 64 PHE HB2 1 65 LEU HG 4.917 . 7.940 6.095 5.756 6.474 . 0 0 "[ . 1]" 1
795 1 64 PHE HB2 1 79 LEU HG 6.545 . 11.900 9.945 8.740 11.065 . 0 0 "[ . 1]" 1
796 1 64 PHE QD 1 65 LEU H 4.669 . 4.815 3.392 2.630 3.906 . 0 0 "[ . 1]" 1
797 1 64 PHE QD 1 65 LEU HA 4.024 . 6.048 4.290 4.066 4.791 . 0 0 "[ . 1]" 1
798 1 64 PHE QD 1 65 LEU HB2 5.000 . 8.124 5.081 4.595 5.577 . 0 0 "[ . 1]" 1
799 1 64 PHE QD 1 65 LEU HB3 6.094 . 10.736 5.785 5.623 5.990 . 0 0 "[ . 1]" 1
800 1 64 PHE QD 1 68 HIS QB 4.844 . 7.777 6.352 5.627 7.023 . 0 0 "[ . 1]" 1
801 1 64 PHE QD 1 79 LEU HG 5.936 . 10.340 8.894 7.773 9.640 . 0 0 "[ . 1]" 1
802 1 65 LEU H 1 65 LEU HB2 3.126 . 4.348 2.523 2.431 2.717 . 0 0 "[ . 1]" 1
803 1 65 LEU H 1 65 LEU HB3 2.834 . 3.838 3.617 3.598 3.665 . 0 0 "[ . 1]" 1
804 1 65 LEU H 1 65 LEU MD1 3.518 . 5.065 3.467 1.788 3.794 0.183 9 0 "[ . 1]" 1
805 1 65 LEU H 1 65 LEU HG 3.252 . 4.574 2.472 2.051 2.991 . 0 0 "[ . 1]" 1
806 1 65 LEU HA 1 65 LEU HB2 2.449 . 3.199 3.015 3.000 3.021 . 0 0 "[ . 1]" 1
807 1 65 LEU HA 1 65 LEU HG 2.854 . 3.872 3.088 2.650 3.232 . 0 0 "[ . 1]" 1
808 1 65 LEU HA 1 68 HIS QB 4.219 . 6.444 5.583 5.144 6.174 . 0 0 "[ . 1]" 1
809 1 65 LEU HB3 1 68 HIS HA 4.453 . 6.931 5.941 5.397 6.534 . 0 0 "[ . 1]" 1
810 1 65 LEU HB3 1 68 HIS QB 3.487 . 5.007 3.939 3.448 4.389 . 0 0 "[ . 1]" 1
811 1 68 HIS HA 1 71 ASP H 4.749 . 7.568 6.047 5.701 6.504 . 0 0 "[ . 1]" 1
812 1 70 LEU H 1 72 THR H 3.616 . 5.251 5.009 4.435 5.248 . 0 0 "[ . 1]" 1
813 1 71 ASP H 1 71 ASP QB 3.050 . 4.213 2.535 2.249 2.793 . 0 0 "[ . 1]" 1
814 1 71 ASP H 1 72 THR HA 3.799 . 5.603 5.025 4.860 5.214 . 0 0 "[ . 1]" 1
815 1 71 ASP HA 1 72 THR H 3.551 . 5.127 3.124 2.897 3.548 . 0 0 "[ . 1]" 1
816 1 71 ASP QB 1 72 THR H 4.015 . 6.030 3.764 2.758 4.043 . 0 0 "[ . 1]" 1
817 1 72 THR H 1 72 THR HA 2.377 . 3.083 2.888 2.860 2.951 . 0 0 "[ . 1]" 1
818 1 72 THR H 1 72 THR HB 2.893 . 3.939 3.112 2.627 3.565 . 0 0 "[ . 1]" 1
819 1 74 SER H 1 74 SER HB2 2.902 . 3.955 3.110 2.743 3.703 . 0 0 "[ . 1]" 1
820 1 74 SER HA 1 76 SER H 3.724 . 5.458 3.773 3.250 4.059 . 0 0 "[ . 1]" 1
821 1 74 SER HA 1 77 ASP H 4.415 . 6.852 4.653 4.315 5.283 . 0 0 "[ . 1]" 1
822 1 74 SER HB2 1 76 SER HA 5.238 . 8.668 6.569 5.806 7.464 . 0 0 "[ . 1]" 1
823 1 74 SER HB2 1 77 ASP H 4.180 . 6.364 4.053 3.107 5.957 . 0 0 "[ . 1]" 1
824 1 74 SER HB2 1 77 ASP HA 4.009 . 6.018 5.120 3.604 7.007 0.989 4 2 "[ +. - 1]" 1
825 1 76 SER H 1 76 SER HB2 2.537 . 3.342 2.765 2.466 3.468 0.126 3 0 "[ . 1]" 1
826 1 76 SER H 1 77 ASP H 2.606 . 3.455 2.437 2.307 2.789 . 0 0 "[ . 1]" 1
827 1 76 SER HB2 1 77 ASP H 2.806 . 3.790 3.862 3.535 4.493 0.703 4 2 "[ +. -]" 1
828 1 77 ASP H 1 77 ASP QB 2.737 . 3.673 2.423 2.046 3.132 . 0 0 "[ . 1]" 1
829 1 77 ASP H 1 78 THR H 3.317 . 4.692 4.402 3.714 4.587 . 0 0 "[ . 1]" 1
830 1 77 ASP QB 1 78 THR H 2.635 . 3.503 2.664 2.027 3.587 0.084 8 0 "[ . 1]" 1
831 1 77 ASP QB 1 78 THR MG 4.232 . 6.244 3.697 2.511 5.045 . 0 0 "[ . 1]" 1
832 1 77 ASP QB 1 80 LEU H 5.831 . 10.081 8.278 7.130 9.139 . 0 0 "[ . 1]" 1
833 1 78 THR H 1 78 THR HB 2.979 . 4.088 3.191 2.611 3.847 . 0 0 "[ . 1]" 1
834 1 78 THR H 1 79 LEU HG 5.731 . 9.837 7.628 5.334 8.393 . 0 0 "[ . 1]" 1
835 1 78 THR HA 1 79 LEU H 3.111 . 4.321 2.101 1.960 2.504 . 0 0 "[ . 1]" 1
836 1 78 THR HB 1 79 LEU H 3.075 . 4.257 3.678 2.534 4.205 . 0 0 "[ . 1]" 1
837 1 78 THR HB 1 79 LEU QB 4.810 . 7.702 5.320 4.253 5.842 . 0 0 "[ . 1]" 1
838 1 78 THR MG 1 80 LEU H 4.228 . 6.462 6.109 5.599 6.758 0.296 10 0 "[ . 1]" 1
839 1 79 LEU H 1 79 LEU HA 2.475 . 3.240 2.904 2.858 2.941 . 0 0 "[ . 1]" 1
840 1 79 LEU H 1 79 LEU QB 3.166 . 3.387 2.135 1.994 2.405 . 0 0 "[ . 1]" 1
841 1 79 LEU H 1 79 LEU QD . . 3.378 3.220 2.188 3.835 0.457 8 0 "[ . 1]" 1
842 1 79 LEU H 1 79 LEU HG 3.215 . 4.507 4.412 4.101 4.529 0.022 6 0 "[ . 1]" 1
843 1 79 LEU HA 1 79 LEU QB 3.038 . 4.192 2.438 2.248 2.533 . 0 0 "[ . 1]" 1
844 1 79 LEU HA 1 79 LEU HG 2.161 . 2.745 2.682 2.232 3.013 0.268 1 0 "[ . 1]" 1
845 1 79 LEU HA 1 80 LEU H 2.492 . 3.268 2.242 2.140 2.310 . 0 0 "[ . 1]" 1
846 1 79 LEU HA 1 80 LEU QD 3.973 . 5.946 4.957 4.773 5.175 . 0 0 "[ . 1]" 1
847 1 79 LEU HA 1 81 CYS HA 4.428 . 6.878 6.911 6.660 7.038 0.160 10 0 "[ . 1]" 1
848 1 79 LEU QB 1 80 LEU H 4.607 . 7.260 3.296 2.699 3.629 . 0 0 "[ . 1]" 1
849 1 79 LEU QB 1 80 LEU QD 5.921 . 10.303 5.091 4.213 5.621 . 0 0 "[ . 1]" 1
850 1 79 LEU QD 1 79 LEU HG 1.806 . 2.214 1.879 1.863 1.884 . 0 0 "[ . 1]" 1
851 1 79 LEU QD 1 81 CYS HA 4.363 . 6.742 4.737 3.581 5.858 . 0 0 "[ . 1]" 1
852 1 80 LEU H 1 80 LEU QB 3.025 . 3.394 2.536 2.144 2.915 . 0 0 "[ . 1]" 1
853 1 80 LEU H 1 80 LEU HG 2.871 . 3.901 3.364 2.487 4.403 0.502 3 1 "[ + . 1]" 1
854 1 80 LEU H 1 81 CYS H 3.673 . 5.360 4.322 4.258 4.391 . 0 0 "[ . 1]" 1
855 1 80 LEU HA 1 80 LEU QB 2.603 . 3.450 2.164 2.086 2.257 . 0 0 "[ . 1]" 1
856 1 80 LEU HA 1 80 LEU QD 2.676 . 3.571 2.907 2.224 3.273 . 0 0 "[ . 1]" 1
857 1 80 LEU HA 1 81 CYS H 2.547 . 3.358 2.032 1.974 2.107 . 0 0 "[ . 1]" 1
858 1 80 LEU HA 1 81 CYS QB 3.170 . 4.426 4.299 4.060 4.420 . 0 0 "[ . 1]" 1
859 1 80 LEU QB 1 81 CYS H 3.302 . 4.665 3.138 2.617 3.723 . 0 0 "[ . 1]" 1
860 1 80 LEU QD 1 81 CYS H 3.142 . 4.376 2.620 1.814 3.268 0.094 5 0 "[ . 1]" 1
861 1 80 LEU QD 1 81 CYS HA 2.733 . 3.667 2.529 2.203 2.950 . 0 0 "[ . 1]" 1
862 1 80 LEU QD 1 82 PHE H 2.346 . 3.034 2.344 1.978 2.797 . 0 0 "[ . 1]" 1
863 1 80 LEU QD 1 82 PHE QB 3.130 . 4.354 2.476 1.404 3.227 0.502 5 1 "[ + 1]" 1
864 1 80 LEU HG 1 81 CYS H 3.208 . 4.494 4.311 2.743 4.744 0.250 1 0 "[ . 1]" 1
865 1 81 CYS H 1 81 CYS QB 2.705 . 3.619 2.974 2.611 3.180 . 0 0 "[ . 1]" 1
866 1 81 CYS H 1 82 PHE QD 3.095 . 4.293 4.285 3.887 4.426 0.133 2 0 "[ . 1]" 1
867 1 81 CYS HA 1 81 CYS QB 2.546 . 3.356 2.251 2.168 2.415 . 0 0 "[ . 1]" 1
868 1 81 CYS HA 1 82 PHE H 2.542 . 3.350 2.247 2.083 2.310 . 0 0 "[ . 1]" 1
869 1 81 CYS QB 1 82 PHE HA 4.121 . 6.244 4.290 3.974 4.567 . 0 0 "[ . 1]" 1
870 1 82 PHE H 1 82 PHE QB 2.912 . 3.605 2.725 2.670 2.949 . 0 0 "[ . 1]" 1
871 1 82 PHE H 1 82 PHE QD 3.471 . 4.977 3.767 1.759 4.290 0.206 9 0 "[ . 1]" 1
872 1 82 PHE H 1 84 LEU HB2 5.814 . 10.040 7.481 7.098 8.096 . 0 0 "[ . 1]" 1
873 1 82 PHE QB 1 82 PHE QD 2.640 . 3.511 2.137 2.097 2.198 . 0 0 "[ . 1]" 1
874 1 82 PHE QB 1 83 GLU H 3.718 . 4.663 2.964 2.259 3.239 . 0 0 "[ . 1]" 1
875 1 82 PHE QB 1 83 GLU QB 4.363 . 6.742 4.933 4.734 5.063 . 0 0 "[ . 1]" 1
876 1 82 PHE QB 1 84 LEU MD1 4.260 . 6.528 5.024 2.774 6.365 . 0 0 "[ . 1]" 1
877 1 82 PHE QD 1 83 GLU H 3.305 . 4.670 3.193 2.720 3.991 . 0 0 "[ . 1]" 1
878 1 83 GLU H 1 83 GLU HA 2.223 . 2.841 2.909 2.880 2.927 0.086 3 0 "[ . 1]" 1
879 1 83 GLU H 1 83 GLU QB 3.085 . 4.274 3.053 2.837 3.177 . 0 0 "[ . 1]" 1
880 1 83 GLU HA 1 84 LEU H 2.843 . 3.853 2.168 1.959 2.248 . 0 0 "[ . 1]" 1
881 1 83 GLU QB 1 84 LEU MD1 4.486 . 7.001 5.253 3.867 6.075 . 0 0 "[ . 1]" 1
882 1 84 LEU H 1 84 LEU HB2 2.500 . 3.281 2.616 2.400 3.002 . 0 0 "[ . 1]" 1
883 1 84 LEU H 1 85 LEU H 4.283 . 6.576 4.444 4.272 4.559 . 0 0 "[ . 1]" 1
884 1 84 LEU HA 1 84 LEU MD1 2.636 . 3.505 2.548 1.932 3.308 . 0 0 "[ . 1]" 1
885 1 84 LEU HA 1 85 LEU H 2.674 . 3.568 2.349 2.059 2.542 . 0 0 "[ . 1]" 1
886 1 84 LEU HB2 1 84 LEU MD1 2.932 . 4.007 2.826 2.219 3.211 . 0 0 "[ . 1]" 1
887 1 84 LEU MD1 1 86 SER H 5.705 . 9.773 5.452 3.858 6.676 . 0 0 "[ . 1]" 1
888 1 85 LEU H 1 86 SER HA 3.607 . 5.233 5.452 5.325 5.663 0.430 5 0 "[ . 1]" 1
889 1 86 SER H 1 86 SER QB 2.282 . 2.933 2.871 2.766 2.946 0.013 1 0 "[ . 1]" 1
890 1 86 SER H 1 87 SER HA 3.832 . 5.667 4.625 4.084 5.717 0.050 5 0 "[ . 1]" 1
891 1 88 GLU H 1 88 GLU HB3 2.921 . 3.988 3.219 2.475 4.104 0.116 4 0 "[ . 1]" 1
892 1 88 GLU H 1 88 GLU HG2 3.165 . 4.418 4.128 3.029 5.242 0.824 6 1 "[ .+ 1]" 1
893 1 88 GLU HA 1 88 GLU HG2 2.418 . 3.149 3.201 2.690 3.901 0.752 8 3 "[ * .- + 1]" 1
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