NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
653049 |
6tj3   |
34459 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6tj3
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 932
_Distance_constraint_stats_list.Viol_count 874
_Distance_constraint_stats_list.Viol_total 1098.846
_Distance_constraint_stats_list.Viol_max 1.675
_Distance_constraint_stats_list.Viol_rms 0.0601
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0118
_Distance_constraint_stats_list.Viol_average_violations_only 0.1257
_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 MET 2.296 0.334 6 0 "[ . 1]"
1 2 ALA 0.409 0.107 5 0 "[ . 1]"
1 3 SER 1.064 0.334 6 0 "[ . 1]"
1 4 ASP 0.015 0.006 3 0 "[ . 1]"
1 5 MET 0.626 0.148 4 0 "[ . 1]"
1 6 GLU 1.127 0.229 6 0 "[ . 1]"
1 7 GLU 2.339 0.373 6 0 "[ . 1]"
1 8 LYS 5.022 0.695 1 1 "[+ . 1]"
1 9 PHE 0.663 0.119 9 0 "[ . 1]"
1 10 ARG 2.885 0.482 1 0 "[ . 1]"
1 11 GLU 5.479 0.921 7 1 "[ . + 1]"
1 12 ALA 2.985 0.813 6 3 "[ .+-* 1]"
1 13 PHE 2.223 0.814 10 2 "[- . +]"
1 14 ILE 1.390 0.170 9 0 "[ . 1]"
1 15 LEU 5.440 0.813 6 3 "[ -+ * 1]"
1 16 PHE 1.348 0.641 6 1 "[ .+ 1]"
1 17 SER 1.490 0.814 10 2 "[- . +]"
1 18 SER 1.115 0.170 9 0 "[ . 1]"
1 19 CYS 0.465 0.106 10 0 "[ . 1]"
1 20 SER 1.010 0.380 1 0 "[ . 1]"
1 21 ASP 0.789 0.343 9 0 "[ . 1]"
1 22 HIS 1.569 0.343 9 0 "[ . 1]"
1 23 ILE 5.055 0.508 6 1 "[ .+ 1]"
1 24 GLU 1.207 0.206 4 0 "[ . 1]"
1 25 MET 3.350 0.465 2 0 "[ . 1]"
1 26 TYR 6.151 0.606 1 3 "[+ . - *]"
1 27 LYS 7.150 0.606 1 3 "[+ . - *]"
1 28 PHE 5.730 0.508 6 1 "[ .+ 1]"
1 29 PHE 3.679 1.675 10 2 "[ - +]"
1 30 GLU 2.653 0.645 8 1 "[ . + 1]"
1 31 LEU 1.678 0.188 3 0 "[ . 1]"
1 32 MET 8.173 0.814 8 3 "[ * -+ 1]"
1 33 ASN 1.675 1.675 10 1 "[ . +]"
1 34 SER 2.174 0.174 8 0 "[ . 1]"
1 35 PHE 0.940 0.162 1 0 "[ . 1]"
1 36 GLY 0.000 0.000 . 0 "[ . 1]"
1 37 ILE 0.759 0.074 1 0 "[ . 1]"
1 38 ILE 1.639 0.299 10 0 "[ . 1]"
1 39 LEU 4.855 0.335 1 0 "[ . 1]"
1 40 THR 2.311 0.335 1 0 "[ . 1]"
1 41 ASN 0.936 0.153 6 0 "[ . 1]"
1 42 ASP 0.000 0.000 . 0 "[ . 1]"
1 43 GLU 0.434 0.143 8 0 "[ . 1]"
1 44 LYS 4.798 0.646 5 1 "[ + 1]"
1 45 ALA 0.082 0.082 8 0 "[ . 1]"
1 46 ALA 0.283 0.283 7 0 "[ . 1]"
1 47 LEU 4.384 0.697 5 1 "[ + 1]"
1 48 PRO 0.029 0.023 4 0 "[ . 1]"
1 49 ASN 2.699 0.741 9 2 "[ . +-]"
1 50 ASP 1.466 0.741 9 2 "[ . +-]"
1 51 ILE 0.568 0.238 4 0 "[ . 1]"
1 52 ASN 1.698 0.488 7 0 "[ . 1]"
1 53 MET 3.365 0.256 1 0 "[ . 1]"
1 54 ASP 0.309 0.079 10 0 "[ . 1]"
1 55 TYR 4.184 0.697 5 1 "[ + 1]"
1 56 TRP 2.421 0.140 3 0 "[ . 1]"
1 57 LEU 2.707 0.229 6 0 "[ . 1]"
1 58 ASN 7.321 0.625 4 1 "[ +. 1]"
1 59 PHE 1.947 0.157 1 0 "[ . 1]"
1 60 ALA 2.888 0.523 1 2 "[+ . - 1]"
1 61 LYS 12.082 0.625 4 3 "[* +. - 1]"
1 62 LYS 2.208 0.180 10 0 "[ . 1]"
1 63 HIS 2.268 0.327 9 0 "[ . 1]"
1 64 TYR 6.352 0.523 1 2 "[+ . - 1]"
1 65 ASN 1.649 0.470 8 0 "[ . 1]"
1 66 TYR 3.290 0.523 1 2 "[+ . - 1]"
1 67 GLU 5.005 0.477 2 0 "[ . 1]"
1 68 GLN 2.026 0.482 2 0 "[ . 1]"
1 69 PRO 1.468 0.482 2 0 "[ . 1]"
1 70 PHE 1.585 0.686 8 1 "[ . + 1]"
1 71 LYS 3.355 0.785 5 2 "[ -+ 1]"
1 72 HIS 1.267 0.686 8 1 "[ . + 1]"
1 73 ILE 0.186 0.186 4 0 "[ . 1]"
1 74 ASN 0.000 0.000 . 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 1 MET HA 1 1 MET QB 1.982 . 2.473 2.337 2.180 2.430 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 1 MET QB 2.128 . 2.694 2.244 2.128 2.326 . 0 0 "[ . 1]" 1
3 1 1 MET HA 1 2 ALA H 3.301 . 4.663 2.279 2.120 2.847 . 0 0 "[ . 1]" 1
4 1 1 MET QB 1 1 MET HG2 1.985 . 2.478 2.224 2.132 2.391 . 0 0 "[ . 1]" 1
5 1 1 MET QB 1 1 MET HG3 1.787 . 2.186 2.345 2.272 2.484 0.298 7 0 "[ . 1]" 1
6 1 1 MET ME 1 2 ALA H 3.041 . 4.197 3.807 2.645 4.302 0.105 10 0 "[ . 1]" 1
7 1 1 MET ME 1 3 SER H 3.805 . 5.614 3.465 2.946 4.841 . 0 0 "[ . 1]" 1
8 1 1 MET HG2 1 3 SER QB 2.925 . 3.994 3.544 2.717 4.328 0.334 6 0 "[ . 1]" 1
9 1 2 ALA H 1 2 ALA HA 2.854 . 3.872 2.800 2.760 2.826 . 0 0 "[ . 1]" 1
10 1 2 ALA H 1 2 ALA MB 2.704 . 3.618 2.227 2.215 2.242 . 0 0 "[ . 1]" 1
11 1 2 ALA H 1 3 SER H 2.673 . 3.566 2.739 2.628 2.885 . 0 0 "[ . 1]" 1
12 1 2 ALA HA 1 2 ALA MB 1.992 . 2.488 2.122 2.114 2.126 . 0 0 "[ . 1]" 1
13 1 2 ALA HA 1 5 MET QB 2.107 . 2.662 2.425 1.977 2.743 0.081 2 0 "[ . 1]" 1
14 1 2 ALA MB 1 3 SER H 2.970 . 4.073 2.658 2.506 2.760 . 0 0 "[ . 1]" 1
15 1 2 ALA MB 1 64 TYR QE 3.137 . 4.367 3.231 1.987 4.474 0.107 5 0 "[ . 1]" 1
16 1 3 SER H 1 3 SER HA 2.636 . 3.505 2.811 2.799 2.829 . 0 0 "[ . 1]" 1
17 1 3 SER H 1 3 SER QB 2.533 . 3.335 2.323 2.256 2.656 . 0 0 "[ . 1]" 1
18 1 3 SER HA 1 3 SER QB 2.186 . 2.783 2.349 2.188 2.398 . 0 0 "[ . 1]" 1
19 1 3 SER HA 1 4 ASP H 2.849 . 3.864 3.530 3.502 3.563 . 0 0 "[ . 1]" 1
20 1 3 SER HA 1 6 GLU H 2.560 . 3.379 3.410 3.303 3.513 0.134 4 0 "[ . 1]" 1
21 1 3 SER HA 1 9 PHE QD 3.799 . 5.603 5.470 5.249 5.624 0.021 7 0 "[ . 1]" 1
22 1 3 SER QB 1 4 ASP H 3.068 . 4.245 2.693 2.446 3.385 . 0 0 "[ . 1]" 1
23 1 4 ASP H 1 4 ASP HA 2.746 . 3.689 2.842 2.826 2.857 . 0 0 "[ . 1]" 1
24 1 4 ASP H 1 4 ASP HB2 2.477 . 3.244 2.656 2.583 2.713 . 0 0 "[ . 1]" 1
25 1 4 ASP H 1 4 ASP HB3 2.464 . 3.223 2.446 2.374 2.532 . 0 0 "[ . 1]" 1
26 1 4 ASP H 1 5 MET H 2.590 . 3.428 2.523 2.416 2.607 . 0 0 "[ . 1]" 1
27 1 4 ASP HA 1 5 MET H 2.645 . 3.519 3.504 3.464 3.525 0.006 3 0 "[ . 1]" 1
28 1 4 ASP HA 1 7 GLU H 3.439 . 4.918 3.611 3.235 3.885 . 0 0 "[ . 1]" 1
29 1 4 ASP HB3 1 5 MET H 2.555 . 3.371 2.640 2.465 2.825 . 0 0 "[ . 1]" 1
30 1 5 MET QB 1 6 GLU H 2.808 . 3.793 2.635 2.458 2.764 . 0 0 "[ . 1]" 1
31 1 5 MET QB 1 9 PHE QD 3.556 . 5.137 4.064 2.854 5.156 0.019 4 0 "[ . 1]" 1
32 1 5 MET QB 1 9 PHE QE 3.226 . 4.527 3.190 1.923 4.252 0.002 10 0 "[ . 1]" 1
33 1 5 MET ME 1 5 MET QG 2.683 . 3.582 2.296 2.188 2.515 . 0 0 "[ . 1]" 1
34 1 5 MET ME 1 9 PHE QD 3.467 . 4.970 3.777 3.589 3.981 . 0 0 "[ . 1]" 1
35 1 5 MET ME 1 9 PHE QE 3.047 . 4.208 2.666 2.008 2.914 . 0 0 "[ . 1]" 1
36 1 5 MET ME 1 35 PHE QE 2.536 . 3.340 3.348 3.274 3.387 0.047 4 0 "[ . 1]" 1
37 1 5 MET ME 1 64 TYR QE 2.752 . 3.699 3.519 2.710 3.847 0.148 4 0 "[ . 1]" 1
38 1 5 MET QG 1 64 TYR QD 3.346 . 4.745 4.250 3.863 4.657 . 0 0 "[ . 1]" 1
39 1 5 MET QG 1 64 TYR QE 2.933 . 4.009 2.735 2.256 3.173 . 0 0 "[ . 1]" 1
40 1 6 GLU H 1 6 GLU HA 2.775 . 3.738 2.798 2.765 2.826 . 0 0 "[ . 1]" 1
41 1 6 GLU H 1 6 GLU QB 2.202 . 2.808 2.325 2.173 2.610 . 0 0 "[ . 1]" 1
42 1 6 GLU H 1 9 PHE QD 3.772 . 5.551 4.184 3.953 4.618 . 0 0 "[ . 1]" 1
43 1 6 GLU HA 1 6 GLU QB 2.288 . 2.942 2.242 2.160 2.334 . 0 0 "[ . 1]" 1
44 1 6 GLU HA 1 7 GLU H 3.468 . 4.971 3.532 3.498 3.549 . 0 0 "[ . 1]" 1
45 1 6 GLU HA 1 9 PHE H 3.266 . 4.599 3.291 3.066 3.570 . 0 0 "[ . 1]" 1
46 1 6 GLU HA 1 9 PHE QE 3.259 . 4.586 3.821 3.096 4.603 0.017 10 0 "[ . 1]" 1
47 1 6 GLU HA 1 10 ARG H 3.728 . 5.466 4.117 3.915 4.370 . 0 0 "[ . 1]" 1
48 1 6 GLU HA 1 57 LEU QD 3.261 . 4.591 2.655 2.083 3.507 . 0 0 "[ . 1]" 1
49 1 6 GLU QB 1 7 GLU H 2.130 . 2.697 2.327 2.137 2.531 . 0 0 "[ . 1]" 1
50 1 6 GLU QB 1 57 LEU QD 2.332 . 3.012 2.771 2.104 3.053 0.041 2 0 "[ . 1]" 1
51 1 6 GLU HG2 1 57 LEU QD 2.588 . 3.425 2.977 2.375 3.654 0.229 6 0 "[ . 1]" 1
52 1 7 GLU H 1 7 GLU HA 2.737 . 3.673 2.803 2.780 2.831 . 0 0 "[ . 1]" 1
53 1 7 GLU H 1 7 GLU HG2 2.772 . 3.732 2.475 2.048 3.239 . 0 0 "[ . 1]" 1
54 1 7 GLU H 1 8 LYS H 2.781 . 3.748 2.679 2.561 2.783 . 0 0 "[ . 1]" 1
55 1 7 GLU H 1 9 PHE H 3.602 . 5.224 4.154 4.031 4.361 . 0 0 "[ . 1]" 1
56 1 7 GLU HA 1 7 GLU QB 2.072 . 2.609 2.330 2.173 2.425 . 0 0 "[ . 1]" 1
57 1 7 GLU HA 1 10 ARG H 2.816 . 3.807 3.403 3.136 3.690 . 0 0 "[ . 1]" 1
58 1 7 GLU QB 1 7 GLU HG2 1.797 . 2.201 2.341 2.284 2.387 0.186 9 0 "[ . 1]" 1
59 1 7 GLU QB 1 8 LYS H 2.610 . 3.461 2.712 2.297 3.465 0.004 9 0 "[ . 1]" 1
60 1 7 GLU HG2 1 8 LYS H 3.254 . 4.577 4.132 2.452 4.950 0.373 6 0 "[ . 1]" 1
61 1 8 LYS H 1 8 LYS HA 2.517 . 3.309 2.817 2.795 2.831 . 0 0 "[ . 1]" 1
62 1 8 LYS H 1 8 LYS QD 2.554 . 3.369 2.303 1.930 3.130 . 0 0 "[ . 1]" 1
63 1 8 LYS H 1 9 PHE H 2.668 . 3.557 2.671 2.592 2.780 . 0 0 "[ . 1]" 1
64 1 8 LYS HA 1 8 LYS HG3 2.832 . 3.834 3.540 2.478 3.828 . 0 0 "[ . 1]" 1
65 1 8 LYS HA 1 9 PHE H 3.085 . 4.274 3.543 3.512 3.559 . 0 0 "[ . 1]" 1
66 1 8 LYS HB2 1 8 LYS QD 1.652 . 1.993 2.385 2.128 2.688 0.695 1 1 "[+ . 1]" 1
67 1 8 LYS HB2 1 8 LYS HG3 2.207 . 2.816 2.438 2.290 2.980 0.164 2 0 "[ . 1]" 1
68 1 9 PHE H 1 9 PHE HA 2.905 . 3.960 2.826 2.800 2.858 . 0 0 "[ . 1]" 1
69 1 9 PHE H 1 9 PHE HB2 2.603 . 3.450 2.461 2.400 2.567 . 0 0 "[ . 1]" 1
70 1 9 PHE H 1 9 PHE QD 2.983 . 4.095 3.173 2.883 3.328 . 0 0 "[ . 1]" 1
71 1 9 PHE H 1 56 TRP HE1 3.833 . 5.669 4.377 4.036 4.656 . 0 0 "[ . 1]" 1
72 1 9 PHE H 1 57 LEU QD 2.883 . 3.922 3.918 3.886 3.954 0.032 4 0 "[ . 1]" 1
73 1 9 PHE HA 1 9 PHE QD 2.228 . 2.848 2.132 1.951 2.470 . 0 0 "[ . 1]" 1
74 1 9 PHE HA 1 35 PHE QE 2.621 . 3.480 2.816 2.520 3.166 . 0 0 "[ . 1]" 1
75 1 9 PHE HB2 1 9 PHE QD 2.598 . 3.441 2.283 2.252 2.334 . 0 0 "[ . 1]" 1
76 1 9 PHE HB2 1 9 PHE QE 3.386 . 4.820 4.369 4.351 4.386 . 0 0 "[ . 1]" 1
77 1 9 PHE HB2 1 10 ARG H 2.816 . 3.808 2.653 2.493 2.814 . 0 0 "[ . 1]" 1
78 1 9 PHE HB3 1 9 PHE QD 2.720 . 3.645 2.700 2.571 2.760 . 0 0 "[ . 1]" 1
79 1 9 PHE HB3 1 9 PHE QE 3.108 . 4.315 4.083 4.000 4.171 . 0 0 "[ . 1]" 1
80 1 9 PHE QD 1 10 ARG H 3.591 . 5.203 4.367 4.233 4.526 . 0 0 "[ . 1]" 1
81 1 9 PHE QD 1 35 PHE QD 3.663 . 5.340 3.727 3.420 4.186 . 0 0 "[ . 1]" 1
82 1 9 PHE QD 1 35 PHE QE 2.916 . 3.979 2.825 2.615 2.940 . 0 0 "[ . 1]" 1
83 1 9 PHE QD 1 56 TRP HE1 3.545 . 5.116 3.077 2.510 3.843 . 0 0 "[ . 1]" 1
84 1 9 PHE QD 1 56 TRP HH2 4.079 . 6.158 4.612 3.621 5.182 . 0 0 "[ . 1]" 1
85 1 9 PHE QD 1 56 TRP HZ2 2.706 . 3.621 2.698 2.079 3.276 . 0 0 "[ . 1]" 1
86 1 9 PHE QD 1 57 LEU QD 2.850 . 3.865 2.938 2.598 3.612 . 0 0 "[ . 1]" 1
87 1 9 PHE QD 1 60 ALA MB 2.964 . 4.062 2.971 2.789 3.297 . 0 0 "[ . 1]" 1
88 1 9 PHE QE 1 35 PHE QD 3.355 . 4.762 2.920 2.659 3.079 . 0 0 "[ . 1]" 1
89 1 9 PHE QE 1 35 PHE QE 3.227 . 4.529 3.600 3.188 3.874 . 0 0 "[ . 1]" 1
90 1 9 PHE QE 1 56 TRP HZ2 3.293 . 4.649 3.656 2.888 4.614 . 0 0 "[ . 1]" 1
91 1 9 PHE QE 1 60 ALA MB 3.093 . 4.289 2.534 2.296 2.783 . 0 0 "[ . 1]" 1
92 1 9 PHE QE 1 61 LYS HA 3.127 . 4.349 4.325 3.784 4.468 0.119 9 0 "[ . 1]" 1
93 1 9 PHE QE 1 64 TYR QE 3.640 . 5.296 2.526 1.937 4.378 0.047 6 0 "[ . 1]" 1
94 1 9 PHE HZ 1 60 ALA MB 3.210 . 4.498 2.854 2.419 3.257 . 0 0 "[ . 1]" 1
95 1 9 PHE HZ 1 64 TYR QE 3.496 . 5.024 2.879 1.998 5.053 0.029 1 0 "[ . 1]" 1
96 1 10 ARG H 1 10 ARG HA 2.668 . 3.558 2.795 2.781 2.812 . 0 0 "[ . 1]" 1
97 1 10 ARG H 1 10 ARG QB 2.270 . 2.914 2.227 2.189 2.260 . 0 0 "[ . 1]" 1
98 1 10 ARG H 1 11 GLU H 2.781 . 3.748 2.721 2.680 2.761 . 0 0 "[ . 1]" 1
99 1 10 ARG H 1 12 ALA H 3.389 . 4.825 4.196 4.099 4.285 . 0 0 "[ . 1]" 1
100 1 10 ARG HA 1 10 ARG QB 1.998 . 2.497 2.328 2.282 2.354 . 0 0 "[ . 1]" 1
101 1 10 ARG HA 1 11 GLU H 2.590 . 3.429 3.522 3.513 3.530 0.101 9 0 "[ . 1]" 1
102 1 10 ARG HA 1 53 MET ME 2.571 . 3.397 2.760 2.284 3.099 . 0 0 "[ . 1]" 1
103 1 10 ARG HA 1 57 LEU QD 2.739 . 3.677 2.998 2.504 3.408 . 0 0 "[ . 1]" 1
104 1 10 ARG QB 1 10 ARG HE 3.332 . 4.720 3.468 2.388 3.956 . 0 0 "[ . 1]" 1
105 1 10 ARG QB 1 11 GLU H 2.469 . 3.231 2.462 2.414 2.558 . 0 0 "[ . 1]" 1
106 1 10 ARG HD2 1 10 ARG HE 2.919 . 3.984 2.775 2.438 2.952 . 0 0 "[ . 1]" 1
107 1 10 ARG HD2 1 10 ARG HG2 2.243 . 2.872 2.790 2.423 3.013 0.141 3 0 "[ . 1]" 1
108 1 10 ARG HD2 1 10 ARG HG3 2.646 . 3.521 2.607 2.404 3.015 . 0 0 "[ . 1]" 1
109 1 10 ARG HD3 1 10 ARG HG2 2.274 . 2.920 2.491 2.381 3.008 0.088 7 0 "[ . 1]" 1
110 1 10 ARG HD3 1 11 GLU H 3.648 . 5.311 4.952 4.416 5.793 0.482 1 0 "[ . 1]" 1
111 1 10 ARG HE 1 53 MET ME 3.545 . 5.116 3.520 2.817 5.045 . 0 0 "[ . 1]" 1
112 1 10 ARG HG3 1 53 MET ME 2.274 . 2.921 2.151 2.005 2.365 . 0 0 "[ . 1]" 1
113 1 11 GLU H 1 11 GLU HB3 2.093 . 2.641 2.551 2.387 3.562 0.921 7 1 "[ . + 1]" 1
114 1 11 GLU H 1 12 ALA H 2.658 . 3.541 2.667 2.579 2.755 . 0 0 "[ . 1]" 1
115 1 11 GLU H 1 13 PHE H 3.218 . 4.513 4.044 3.965 4.140 . 0 0 "[ . 1]" 1
116 1 11 GLU HA 1 11 GLU HB2 1.935 . 2.403 2.473 2.370 3.005 0.602 7 1 "[ . + 1]" 1
117 1 11 GLU HA 1 11 GLU HB2 1.723 . 2.094 2.145 2.088 2.287 0.193 7 0 "[ . 1]" 1
118 1 11 GLU HA 1 11 GLU QG 2.493 . 3.270 2.555 2.492 2.782 . 0 0 "[ . 1]" 1
119 1 11 GLU HA 1 12 ALA H 2.616 . 3.472 3.527 3.516 3.534 0.062 5 0 "[ . 1]" 1
120 1 11 GLU HA 1 14 ILE HB 2.772 . 3.733 3.232 3.085 3.360 . 0 0 "[ . 1]" 1
121 1 11 GLU HA 1 14 ILE MD 2.080 . 2.621 2.587 2.430 2.648 0.027 3 0 "[ . 1]" 1
122 1 11 GLU HB2 1 12 ALA H 2.881 . 3.919 3.718 2.426 3.905 . 0 0 "[ . 1]" 1
123 1 11 GLU HB3 1 12 ALA H 2.366 . 3.066 2.653 2.414 3.740 0.674 7 1 "[ . + 1]" 1
124 1 11 GLU QG 1 12 ALA H 2.656 . 3.538 3.461 3.409 3.542 0.004 7 0 "[ . 1]" 1
125 1 12 ALA H 1 12 ALA HA 2.520 . 3.313 2.831 2.809 2.849 . 0 0 "[ . 1]" 1
126 1 12 ALA H 1 12 ALA MB 2.290 . 2.946 2.243 2.234 2.254 . 0 0 "[ . 1]" 1
127 1 12 ALA H 1 13 PHE H 2.574 . 3.402 2.594 2.513 2.636 . 0 0 "[ . 1]" 1
128 1 12 ALA H 1 35 PHE QE 2.832 . 3.835 3.479 3.268 3.882 0.047 7 0 "[ . 1]" 1
129 1 12 ALA HA 1 12 ALA MB 1.886 . 2.331 2.127 2.124 2.131 . 0 0 "[ . 1]" 1
130 1 12 ALA HA 1 13 PHE H 3.143 . 4.378 3.521 3.508 3.540 . 0 0 "[ . 1]" 1
131 1 12 ALA HA 1 15 LEU QB 2.239 . 2.866 2.757 2.573 2.911 0.045 7 0 "[ . 1]" 1
132 1 12 ALA HA 1 15 LEU MD1 3.088 . 4.280 2.797 2.045 5.093 0.813 6 2 "[ .+ - 1]" 1
133 1 12 ALA HA 1 16 PHE H 3.316 . 4.691 4.290 4.039 4.598 . 0 0 "[ . 1]" 1
134 1 12 ALA HA 1 16 PHE QD 3.600 . 5.220 3.703 3.241 4.137 . 0 0 "[ . 1]" 1
135 1 12 ALA MB 1 13 PHE H 2.606 . 3.455 2.585 2.536 2.678 . 0 0 "[ . 1]" 1
136 1 12 ALA MB 1 13 PHE QD 3.649 . 5.313 5.112 5.021 5.216 . 0 0 "[ . 1]" 1
137 1 12 ALA MB 1 31 LEU QD 2.261 . 2.900 2.514 2.150 2.807 . 0 0 "[ . 1]" 1
138 1 12 ALA MB 1 35 PHE QE 2.204 . 2.811 2.361 2.145 2.638 . 0 0 "[ . 1]" 1
139 1 12 ALA MB 1 35 PHE QE 2.073 . 2.610 1.921 1.824 2.077 . 0 0 "[ . 1]" 1
140 1 12 ALA MB 1 56 TRP HE1 3.305 . 4.670 3.377 3.109 3.888 . 0 0 "[ . 1]" 1
141 1 13 PHE H 1 13 PHE HA 2.623 . 3.483 2.792 2.785 2.812 . 0 0 "[ . 1]" 1
142 1 13 PHE H 1 13 PHE HB2 2.681 . 3.580 2.410 2.311 2.486 . 0 0 "[ . 1]" 1
143 1 13 PHE H 1 13 PHE HB3 2.554 . 3.370 2.644 2.612 2.672 . 0 0 "[ . 1]" 1
144 1 13 PHE H 1 13 PHE QD 3.110 . 4.319 4.145 4.099 4.185 . 0 0 "[ . 1]" 1
145 1 13 PHE H 1 31 LEU QD 3.566 . 4.913 3.287 3.004 3.498 . 0 0 "[ . 1]" 1
146 1 13 PHE H 1 56 TRP HD1 3.215 . 4.507 4.236 4.055 4.537 0.030 10 0 "[ . 1]" 1
147 1 13 PHE H 1 56 TRP HE1 3.548 . 5.122 3.586 3.003 4.027 . 0 0 "[ . 1]" 1
148 1 13 PHE HA 1 13 PHE HB2 2.569 . 3.394 2.513 2.492 2.545 . 0 0 "[ . 1]" 1
149 1 13 PHE HA 1 13 PHE HB3 2.845 . 3.857 3.025 3.021 3.029 . 0 0 "[ . 1]" 1
150 1 13 PHE HA 1 13 PHE QD 2.792 . 3.766 2.805 2.674 3.001 . 0 0 "[ . 1]" 1
151 1 13 PHE HA 1 14 ILE H 3.223 . 4.522 3.540 3.529 3.552 . 0 0 "[ . 1]" 1
152 1 13 PHE HA 1 16 PHE H 3.480 . 4.993 3.587 3.351 3.678 . 0 0 "[ . 1]" 1
153 1 13 PHE HA 1 31 LEU QD 2.736 . 3.218 2.191 2.083 2.434 . 0 0 "[ . 1]" 1
154 1 13 PHE HA 1 56 TRP HD1 3.538 . 5.102 4.438 4.301 4.639 . 0 0 "[ . 1]" 1
155 1 13 PHE HB2 1 13 PHE QD 2.602 . 3.448 2.417 2.342 2.477 . 0 0 "[ . 1]" 1
156 1 13 PHE HB2 1 53 MET ME 2.715 . 3.636 3.608 3.448 3.663 0.027 1 0 "[ . 1]" 1
157 1 13 PHE HB2 1 56 TRP HD1 2.113 . 2.671 2.236 2.074 2.439 . 0 0 "[ . 1]" 1
158 1 13 PHE HB2 1 56 TRP HE1 2.944 . 4.027 2.956 2.554 3.394 . 0 0 "[ . 1]" 1
159 1 13 PHE HB3 1 13 PHE QD 2.521 . 3.315 2.358 2.317 2.417 . 0 0 "[ . 1]" 1
160 1 13 PHE HB3 1 14 ILE H 2.890 . 3.934 2.480 2.328 2.601 . 0 0 "[ . 1]" 1
161 1 13 PHE HB3 1 53 MET ME 2.451 . 3.202 2.277 2.131 2.353 . 0 0 "[ . 1]" 1
162 1 13 PHE QD 1 14 ILE H 3.051 . 4.215 3.594 3.506 3.739 . 0 0 "[ . 1]" 1
163 1 13 PHE QD 1 14 ILE MG 3.422 . 4.886 4.907 4.835 4.966 0.080 4 0 "[ . 1]" 1
164 1 13 PHE QD 1 17 SER H 3.837 . 5.678 4.447 4.168 4.680 . 0 0 "[ . 1]" 1
165 1 13 PHE QD 1 17 SER HB2 3.001 . 4.127 3.886 3.193 4.941 0.814 10 2 "[- . +]" 1
166 1 13 PHE QD 1 23 ILE MD 3.834 . 5.672 3.682 3.141 4.165 . 0 0 "[ . 1]" 1
167 1 13 PHE QD 1 23 ILE MG 3.729 . 5.467 3.985 3.657 4.722 . 0 0 "[ . 1]" 1
168 1 13 PHE QD 1 31 LEU HB2 4.277 . 6.563 5.178 4.978 5.351 . 0 0 "[ . 1]" 1
169 1 13 PHE QD 1 31 LEU HB3 3.909 . 5.819 5.257 4.926 5.483 . 0 0 "[ . 1]" 1
170 1 13 PHE QD 1 31 LEU QD 2.713 . 3.633 2.048 1.868 2.408 . 0 0 "[ . 1]" 1
171 1 13 PHE QD 1 31 LEU QD 3.018 . 4.157 2.007 1.857 2.298 0.022 9 0 "[ . 1]" 1
172 1 13 PHE QD 1 53 MET ME 2.413 . 3.141 2.165 2.010 2.313 . 0 0 "[ . 1]" 1
173 1 13 PHE QD 1 53 MET HG3 3.952 . 5.905 4.087 3.447 5.306 . 0 0 "[ . 1]" 1
174 1 13 PHE QD 1 56 TRP HD1 2.666 . 3.555 2.795 2.299 3.059 . 0 0 "[ . 1]" 1
175 1 13 PHE QD 1 56 TRP HE1 2.900 . 3.951 3.714 3.534 3.928 . 0 0 "[ . 1]" 1
176 1 13 PHE QE 1 22 HIS HA 3.300 . 4.661 4.167 3.284 4.754 0.093 9 0 "[ . 1]" 1
177 1 13 PHE QE 1 23 ILE HB 3.337 . 4.729 3.040 2.410 3.876 . 0 0 "[ . 1]" 1
178 1 13 PHE QE 1 23 ILE MG 2.683 . 3.583 2.311 2.017 3.075 . 0 0 "[ . 1]" 1
179 1 13 PHE QE 1 31 LEU QD 3.394 . 4.834 3.107 2.816 3.453 . 0 0 "[ . 1]" 1
180 1 13 PHE QE 1 53 MET H 2.584 . 3.419 3.310 2.959 3.533 0.114 1 0 "[ . 1]" 1
181 1 13 PHE QE 1 53 MET ME 2.852 . 3.869 3.365 3.238 3.599 . 0 0 "[ . 1]" 1
182 1 13 PHE HZ 1 23 ILE MG 2.932 . 4.006 2.794 2.239 4.002 . 0 0 "[ . 1]" 1
183 1 13 PHE HZ 1 52 ASN HA 2.675 . 3.569 2.706 2.006 3.508 . 0 0 "[ . 1]" 1
184 1 14 ILE H 1 14 ILE HA 2.548 . 3.359 2.805 2.794 2.814 . 0 0 "[ . 1]" 1
185 1 14 ILE H 1 14 ILE HB 2.162 . 2.746 2.542 2.487 2.578 . 0 0 "[ . 1]" 1
186 1 14 ILE H 1 14 ILE HG12 2.738 . 3.675 3.391 3.320 3.451 . 0 0 "[ . 1]" 1
187 1 14 ILE H 1 14 ILE HG13 2.333 . 3.013 2.096 2.065 2.152 . 0 0 "[ . 1]" 1
188 1 14 ILE H 1 53 MET ME 2.900 . 3.951 3.394 3.155 3.605 . 0 0 "[ . 1]" 1
189 1 14 ILE HA 1 14 ILE MD 2.971 . 4.074 3.836 3.827 3.845 . 0 0 "[ . 1]" 1
190 1 14 ILE HA 1 14 ILE HG12 2.917 . 3.981 2.543 2.526 2.558 . 0 0 "[ . 1]" 1
191 1 14 ILE HA 1 14 ILE MG 2.533 . 3.335 2.408 2.378 2.437 . 0 0 "[ . 1]" 1
192 1 14 ILE HA 1 15 LEU H 2.754 . 3.702 3.536 3.515 3.562 . 0 0 "[ . 1]" 1
193 1 14 ILE HA 1 17 SER H 2.986 . 4.101 3.455 2.982 3.823 . 0 0 "[ . 1]" 1
194 1 14 ILE HB 1 14 ILE MD 2.464 . 3.223 2.407 2.398 2.430 . 0 0 "[ . 1]" 1
195 1 14 ILE HB 1 14 ILE MG 2.194 . 2.796 2.130 2.129 2.132 . 0 0 "[ . 1]" 1
196 1 14 ILE HB 1 15 LEU H 2.579 . 3.411 2.668 2.569 2.763 . 0 0 "[ . 1]" 1
197 1 14 ILE MD 1 14 ILE HG12 2.239 . 2.866 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
198 1 14 ILE MD 1 14 ILE HG13 2.340 . 3.025 2.119 2.118 2.121 . 0 0 "[ . 1]" 1
199 1 14 ILE MD 1 53 MET ME 2.479 . 3.247 2.807 2.360 3.150 . 0 0 "[ . 1]" 1
200 1 14 ILE HG12 1 14 ILE MG 2.530 . 3.330 2.350 2.323 2.366 . 0 0 "[ . 1]" 1
201 1 14 ILE HG12 1 53 MET ME 2.761 . 3.714 2.779 2.383 2.980 . 0 0 "[ . 1]" 1
202 1 14 ILE HG13 1 14 ILE MG 2.758 . 3.709 3.202 3.198 3.208 . 0 0 "[ . 1]" 1
203 1 14 ILE HG13 1 53 MET ME 2.287 . 2.941 2.443 2.161 2.783 . 0 0 "[ . 1]" 1
204 1 14 ILE MG 1 15 LEU H 2.940 . 4.021 3.448 3.380 3.522 . 0 0 "[ . 1]" 1
205 1 14 ILE MG 1 15 LEU HA 2.568 . 3.392 3.407 3.327 3.449 0.057 4 0 "[ . 1]" 1
206 1 14 ILE MG 1 17 SER H 3.530 . 5.087 4.661 3.948 5.016 . 0 0 "[ . 1]" 1
207 1 14 ILE MG 1 18 SER H 2.935 . 4.012 4.090 4.041 4.182 0.170 9 0 "[ . 1]" 1
208 1 15 LEU H 1 15 LEU HA 2.377 . 3.083 2.805 2.786 2.823 . 0 0 "[ . 1]" 1
209 1 15 LEU H 1 15 LEU QB 2.028 . 2.542 2.384 2.042 2.523 . 0 0 "[ . 1]" 1
210 1 15 LEU H 1 15 LEU MD1 2.923 . 3.991 3.553 2.195 4.280 0.289 8 0 "[ . 1]" 1
211 1 15 LEU H 1 15 LEU HG 2.815 . 3.806 2.730 2.153 4.044 0.238 8 0 "[ . 1]" 1
212 1 15 LEU H 1 16 PHE H 2.864 . 3.889 2.723 2.626 2.792 . 0 0 "[ . 1]" 1
213 1 15 LEU HA 1 15 LEU QB 1.867 . 2.303 2.364 2.217 2.454 0.151 5 0 "[ . 1]" 1
214 1 15 LEU HA 1 15 LEU MD1 2.153 . 2.732 2.446 1.960 2.811 0.079 10 0 "[ . 1]" 1
215 1 15 LEU HA 1 15 LEU MD2 2.456 . 3.210 2.451 2.018 4.011 0.801 8 2 "[ - + 1]" 1
216 1 15 LEU HA 1 16 PHE H 2.587 . 3.424 2.748 2.734 2.757 . 0 0 "[ . 1]" 1
217 1 15 LEU QB 1 15 LEU MD1 2.004 . 2.506 2.150 2.092 2.307 . 0 0 "[ . 1]" 1
218 1 15 LEU QB 1 15 LEU MD2 1.977 . 2.466 2.268 2.077 2.342 . 0 0 "[ . 1]" 1
219 1 15 LEU QB 1 15 LEU HG 2.041 . 2.562 2.344 2.165 2.383 . 0 0 "[ . 1]" 1
220 1 15 LEU QB 1 16 PHE H 2.591 . 3.430 2.508 2.400 2.685 . 0 0 "[ . 1]" 1
221 1 15 LEU QB 1 17 SER H 3.611 . 5.241 4.589 4.373 4.751 . 0 0 "[ . 1]" 1
222 1 15 LEU MD1 1 15 LEU HG 2.188 . 2.786 2.125 2.120 2.128 . 0 0 "[ . 1]" 1
223 1 15 LEU MD1 1 16 PHE H 3.505 . 5.041 4.396 4.101 4.665 . 0 0 "[ . 1]" 1
224 1 15 LEU MD1 1 16 PHE QD 3.295 . 4.653 4.173 3.783 5.294 0.641 6 1 "[ .+ 1]" 1
225 1 15 LEU MD2 1 15 LEU HG 2.267 . 2.910 2.127 2.121 2.129 . 0 0 "[ . 1]" 1
226 1 16 PHE H 1 16 PHE QB 2.378 . 3.085 2.275 2.222 2.346 . 0 0 "[ . 1]" 1
227 1 16 PHE H 1 16 PHE QD 2.879 . 3.915 2.204 1.955 2.354 . 0 0 "[ . 1]" 1
228 1 16 PHE H 1 17 SER H 2.733 . 3.667 2.537 2.420 2.628 . 0 0 "[ . 1]" 1
229 1 16 PHE H 1 18 SER H 3.193 . 4.468 3.958 3.745 4.490 0.022 9 0 "[ . 1]" 1
230 1 16 PHE QB 1 16 PHE QD 2.676 . 3.571 2.133 2.125 2.161 . 0 0 "[ . 1]" 1
231 1 16 PHE QB 1 17 SER H 2.970 . 4.072 2.819 2.637 3.183 . 0 0 "[ . 1]" 1
232 1 16 PHE QB 1 23 ILE MD 2.498 . 3.278 2.543 1.926 3.314 0.036 9 0 "[ . 1]" 1
233 1 16 PHE QB 1 31 LEU QD 2.862 . 3.886 2.258 2.015 2.557 . 0 0 "[ . 1]" 1
234 1 16 PHE QD 1 27 LYS HD2 3.044 . 4.202 2.825 1.985 3.813 . 0 0 "[ . 1]" 1
235 1 16 PHE QD 1 27 LYS QE 3.428 . 4.897 3.538 2.221 4.520 . 0 0 "[ . 1]" 1
236 1 16 PHE QD 1 30 GLU QG 2.851 . 3.867 2.550 2.120 3.528 . 0 0 "[ . 1]" 1
237 1 16 PHE QD 1 31 LEU H 3.523 . 5.074 3.746 3.321 4.339 . 0 0 "[ . 1]" 1
238 1 16 PHE QD 1 31 LEU HB2 2.823 . 3.819 2.982 2.554 3.407 . 0 0 "[ . 1]" 1
239 1 16 PHE QD 1 31 LEU HB3 3.926 . 5.853 4.387 4.037 4.708 . 0 0 "[ . 1]" 1
240 1 16 PHE QD 1 31 LEU QD . . 3.442 2.632 2.439 2.803 . 0 0 "[ . 1]" 1
241 1 16 PHE QE 1 30 GLU HA 3.137 . 4.367 4.427 4.315 4.559 0.192 4 0 "[ . 1]" 1
242 1 16 PHE QE 1 30 GLU QG 2.740 . 3.678 2.305 1.960 2.956 . 0 0 "[ . 1]" 1
243 1 16 PHE QE 1 31 LEU HB2 3.202 . 4.483 3.945 3.222 4.392 . 0 0 "[ . 1]" 1
244 1 17 SER H 1 17 SER HA 2.591 . 3.430 2.908 2.884 2.932 . 0 0 "[ . 1]" 1
245 1 17 SER H 1 17 SER HB2 2.809 . 3.796 2.796 2.524 3.625 . 0 0 "[ . 1]" 1
246 1 17 SER H 1 17 SER HB3 2.735 . 3.670 3.146 2.490 3.713 0.043 9 0 "[ . 1]" 1
247 1 17 SER H 1 18 SER H 2.629 . 3.493 2.396 2.277 2.566 . 0 0 "[ . 1]" 1
248 1 18 SER H 1 18 SER HA 2.210 . 2.820 2.430 2.236 2.823 0.003 7 0 "[ . 1]" 1
249 1 18 SER H 1 18 SER QB 2.801 . 3.782 2.922 2.213 3.412 . 0 0 "[ . 1]" 1
250 1 18 SER H 1 19 CYS H 2.789 . 3.762 3.352 2.575 3.851 0.089 5 0 "[ . 1]" 1
251 1 18 SER HA 1 19 CYS H 2.278 . 2.926 2.648 2.087 2.814 . 0 0 "[ . 1]" 1
252 1 18 SER QB 1 19 CYS H 2.975 . 4.082 2.937 1.863 4.037 0.005 4 0 "[ . 1]" 1
253 1 19 CYS H 1 19 CYS HB2 3.127 . 4.350 3.347 2.817 3.812 . 0 0 "[ . 1]" 1
254 1 19 CYS H 1 19 CYS HB3 2.922 . 3.989 3.446 2.948 4.041 0.052 8 0 "[ . 1]" 1
255 1 19 CYS HA 1 20 SER H 2.899 . 3.950 3.097 2.506 3.560 . 0 0 "[ . 1]" 1
256 1 19 CYS HB3 1 20 SER H 3.200 . 4.480 3.507 1.814 4.451 0.106 10 0 "[ . 1]" 1
257 1 20 SER H 1 20 SER HB2 2.709 . 3.626 3.130 2.382 4.006 0.380 1 0 "[ . 1]" 1
258 1 20 SER H 1 21 ASP H 3.841 . 5.685 3.995 1.989 4.592 0.008 10 0 "[ . 1]" 1
259 1 20 SER HA 1 20 SER QB 2.246 . 2.877 2.316 2.173 2.444 . 0 0 "[ . 1]" 1
260 1 20 SER HA 1 21 ASP H 2.648 . 3.525 2.505 2.176 3.551 0.026 10 0 "[ . 1]" 1
261 1 20 SER HA 1 22 HIS H 2.774 . 3.736 3.127 2.802 3.369 . 0 0 "[ . 1]" 1
262 1 20 SER QB 1 21 ASP H 2.753 . 3.700 2.989 2.138 3.928 0.228 9 0 "[ . 1]" 1
263 1 20 SER QB 1 22 HIS H 3.162 . 4.412 3.345 2.485 4.516 0.104 9 0 "[ . 1]" 1
264 1 21 ASP H 1 21 ASP QB 2.532 . 3.334 2.326 2.111 2.673 . 0 0 "[ . 1]" 1
265 1 21 ASP H 1 22 HIS H 2.639 . 3.510 2.398 2.258 2.697 . 0 0 "[ . 1]" 1
266 1 21 ASP HA 1 21 ASP QB 2.156 . 2.737 2.336 2.183 2.437 . 0 0 "[ . 1]" 1
267 1 21 ASP HA 1 22 HIS HD2 4.120 . 6.242 5.889 4.297 6.585 0.343 9 0 "[ . 1]" 1
268 1 21 ASP QB 1 22 HIS H 2.912 . 3.972 3.376 2.593 3.863 . 0 0 "[ . 1]" 1
269 1 21 ASP QB 1 22 HIS HD2 3.928 . 5.857 4.700 2.825 5.717 . 0 0 "[ . 1]" 1
270 1 22 HIS H 1 22 HIS HA 2.909 . 3.967 2.930 2.882 2.948 . 0 0 "[ . 1]" 1
271 1 22 HIS H 1 22 HIS HB2 3.380 . 4.808 2.552 2.323 2.735 . 0 0 "[ . 1]" 1
272 1 22 HIS H 1 22 HIS HB3 2.772 . 3.732 3.611 2.741 3.784 0.052 5 0 "[ . 1]" 1
273 1 22 HIS H 1 22 HIS HD2 3.375 . 4.799 4.494 3.656 4.847 0.048 10 0 "[ . 1]" 1
274 1 22 HIS HA 1 22 HIS HB2 2.499 . 3.279 2.980 2.609 3.036 . 0 0 "[ . 1]" 1
275 1 22 HIS HA 1 22 HIS HB3 2.560 . 3.379 2.565 2.435 3.027 . 0 0 "[ . 1]" 1
276 1 22 HIS HA 1 22 HIS HD2 2.994 . 4.114 2.529 2.051 3.026 . 0 0 "[ . 1]" 1
277 1 22 HIS HA 1 23 ILE H 2.298 . 2.958 2.286 2.181 2.402 . 0 0 "[ . 1]" 1
278 1 22 HIS HA 1 23 ILE MG 3.121 . 4.339 3.846 3.573 4.280 . 0 0 "[ . 1]" 1
279 1 22 HIS HB2 1 22 HIS HD2 3.296 . 4.654 3.877 3.427 3.969 . 0 0 "[ . 1]" 1
280 1 22 HIS HB2 1 23 ILE H 2.964 . 4.063 4.014 3.650 4.357 0.294 9 0 "[ . 1]" 1
281 1 22 HIS HB3 1 22 HIS HD2 3.359 . 4.769 3.268 2.964 3.810 . 0 0 "[ . 1]" 1
282 1 22 HIS HB3 1 23 ILE H 3.182 . 4.448 2.990 2.585 3.860 . 0 0 "[ . 1]" 1
283 1 22 HIS HD2 1 50 ASP QB 3.565 . 5.153 4.107 2.521 5.158 0.005 4 0 "[ . 1]" 1
284 1 22 HIS HD2 1 51 ILE H 4.293 . 6.597 4.779 3.275 6.280 . 0 0 "[ . 1]" 1
285 1 22 HIS HD2 1 52 ASN HB2 3.737 . 5.482 3.490 1.996 5.499 0.017 10 0 "[ . 1]" 1
286 1 22 HIS HD2 1 52 ASN HB3 3.422 . 4.886 3.867 2.096 4.889 0.003 4 0 "[ . 1]" 1
287 1 23 ILE H 1 23 ILE HA 2.819 . 3.812 2.930 2.909 2.948 . 0 0 "[ . 1]" 1
288 1 23 ILE H 1 23 ILE MG 2.519 . 3.312 2.151 1.998 2.525 . 0 0 "[ . 1]" 1
289 1 23 ILE H 1 24 GLU H 3.747 . 5.502 4.396 4.297 4.464 . 0 0 "[ . 1]" 1
290 1 23 ILE H 1 28 PHE QD 4.291 . 6.593 5.597 5.407 5.874 . 0 0 "[ . 1]" 1
291 1 23 ILE HA 1 23 ILE HB 2.703 . 3.616 2.470 2.421 2.597 . 0 0 "[ . 1]" 1
292 1 23 ILE HA 1 23 ILE HG12 2.991 . 4.109 3.245 2.923 3.775 . 0 0 "[ . 1]" 1
293 1 23 ILE HA 1 23 ILE HG13 2.870 . 3.900 2.452 2.155 2.960 . 0 0 "[ . 1]" 1
294 1 23 ILE HA 1 23 ILE MG 3.017 . 4.155 3.216 3.177 3.231 . 0 0 "[ . 1]" 1
295 1 23 ILE HA 1 24 GLU H 2.129 . 2.696 2.101 1.973 2.186 . 0 0 "[ . 1]" 1
296 1 23 ILE HB 1 23 ILE MD 2.700 . 3.611 2.347 2.298 2.383 . 0 0 "[ . 1]" 1
297 1 23 ILE HB 1 23 ILE HG13 2.584 . 3.419 2.618 2.511 3.011 . 0 0 "[ . 1]" 1
298 1 23 ILE HB 1 23 ILE MG 2.419 . 3.151 2.128 2.120 2.134 . 0 0 "[ . 1]" 1
299 1 23 ILE HB 1 24 GLU H 2.968 . 4.069 4.178 4.121 4.275 0.206 4 0 "[ . 1]" 1
300 1 23 ILE HB 1 28 PHE QD 3.533 . 5.093 3.250 2.816 3.597 . 0 0 "[ . 1]" 1
301 1 23 ILE MD 1 23 ILE HG12 2.469 . 3.231 2.117 2.109 2.124 . 0 0 "[ . 1]" 1
302 1 23 ILE MD 1 23 ILE HG13 2.284 . 2.936 2.118 2.112 2.122 . 0 0 "[ . 1]" 1
303 1 23 ILE MD 1 23 ILE MG 2.409 . 3.134 2.234 1.955 3.213 0.079 8 0 "[ . 1]" 1
304 1 23 ILE MD 1 24 GLU H 3.433 . 4.906 3.947 2.390 4.494 . 0 0 "[ . 1]" 1
305 1 23 ILE MD 1 28 PHE H 3.545 . 5.116 3.538 3.238 3.795 . 0 0 "[ . 1]" 1
306 1 23 ILE MD 1 28 PHE HA 2.533 . 3.335 2.167 1.863 3.033 . 0 0 "[ . 1]" 1
307 1 23 ILE MD 1 28 PHE QD 3.013 . 4.148 2.906 2.117 4.229 0.081 5 0 "[ . 1]" 1
308 1 23 ILE MD 1 31 LEU QD 2.929 . 3.309 2.329 1.892 2.864 . 0 0 "[ . 1]" 1
309 1 23 ILE HG12 1 23 ILE MG 2.912 . 3.972 2.315 2.200 2.362 . 0 0 "[ . 1]" 1
310 1 23 ILE HG12 1 24 GLU H 3.033 . 4.183 3.328 2.903 4.246 0.063 8 0 "[ . 1]" 1
311 1 23 ILE HG12 1 28 PHE QD 2.845 . 3.857 3.551 2.663 3.883 0.026 1 0 "[ . 1]" 1
312 1 23 ILE HG13 1 23 ILE MG 2.465 . 3.225 3.071 2.514 3.210 . 0 0 "[ . 1]" 1
313 1 23 ILE HG13 1 24 GLU H 2.560 . 3.379 2.836 2.635 3.132 . 0 0 "[ . 1]" 1
314 1 23 ILE MG 1 28 PHE HB2 3.087 . 4.278 2.318 2.038 2.666 . 0 0 "[ . 1]" 1
315 1 23 ILE MG 1 28 PHE HB3 2.740 . 3.678 3.791 3.540 4.186 0.508 6 1 "[ .+ 1]" 1
316 1 23 ILE MG 1 28 PHE QD 2.663 . 3.549 2.043 1.968 2.150 . 0 0 "[ . 1]" 1
317 1 23 ILE MG 1 28 PHE QE 2.639 . 3.510 3.658 3.576 3.767 0.257 7 0 "[ . 1]" 1
318 1 23 ILE MG 1 51 ILE HB 2.645 . 3.519 2.073 1.813 2.444 . 0 0 "[ . 1]" 1
319 1 23 ILE MG 1 51 ILE MD 3.035 . 4.187 2.984 2.589 3.328 . 0 0 "[ . 1]" 1
320 1 23 ILE MG 1 51 ILE MG 1.984 . 2.476 2.447 2.287 2.593 0.117 4 0 "[ . 1]" 1
321 1 24 GLU H 1 24 GLU HB2 2.381 . 3.090 2.340 2.266 2.376 . 0 0 "[ . 1]" 1
322 1 24 GLU H 1 24 GLU HB3 2.903 . 3.956 3.557 3.535 3.581 . 0 0 "[ . 1]" 1
323 1 24 GLU H 1 24 GLU QG 2.561 . 3.381 2.492 2.232 3.177 . 0 0 "[ . 1]" 1
324 1 24 GLU HA 1 24 GLU QG 2.554 . 3.369 2.355 2.282 2.440 . 0 0 "[ . 1]" 1
325 1 24 GLU HA 1 25 MET H 2.258 . 2.895 2.240 2.150 2.433 . 0 0 "[ . 1]" 1
326 1 24 GLU HB2 1 24 GLU QG 2.323 . 2.997 2.329 2.285 2.383 . 0 0 "[ . 1]" 1
327 1 24 GLU HB2 1 25 MET H 3.251 . 4.572 3.933 3.554 4.150 . 0 0 "[ . 1]" 1
328 1 24 GLU HB3 1 25 MET H 2.376 . 3.082 2.802 2.408 3.091 0.009 10 0 "[ . 1]" 1
329 1 24 GLU HB3 1 26 TYR H 2.753 . 3.700 2.786 2.697 2.867 . 0 0 "[ . 1]" 1
330 1 24 GLU HB3 1 26 TYR QE 3.169 . 4.424 3.099 2.799 3.833 . 0 0 "[ . 1]" 1
331 1 24 GLU HB3 1 27 LYS H 3.266 . 4.599 3.357 2.872 3.852 . 0 0 "[ . 1]" 1
332 1 24 GLU QG 1 25 MET H 2.945 . 4.029 3.817 3.698 3.906 . 0 0 "[ . 1]" 1
333 1 24 GLU QG 1 26 TYR H 3.412 . 4.867 4.664 4.487 4.723 . 0 0 "[ . 1]" 1
334 1 24 GLU QG 1 26 TYR QD 3.558 . 5.140 3.998 3.735 4.453 . 0 0 "[ . 1]" 1
335 1 24 GLU QG 1 26 TYR QE 3.238 . 4.549 3.380 2.315 3.818 . 0 0 "[ . 1]" 1
336 1 24 GLU QG 1 27 LYS H 3.706 . 5.423 4.739 4.429 4.943 . 0 0 "[ . 1]" 1
337 1 25 MET H 1 25 MET HA 2.859 . 3.880 2.788 2.759 2.811 . 0 0 "[ . 1]" 1
338 1 25 MET H 1 25 MET HB2 2.537 . 3.342 2.293 2.054 2.462 . 0 0 "[ . 1]" 1
339 1 25 MET H 1 26 TYR H 2.863 . 3.888 2.742 2.637 2.835 . 0 0 "[ . 1]" 1
340 1 25 MET H 1 26 TYR QD 4.485 . 7.000 4.137 3.843 4.325 . 0 0 "[ . 1]" 1
341 1 25 MET H 1 28 PHE HB2 3.530 . 5.088 4.815 4.519 4.981 . 0 0 "[ . 1]" 1
342 1 25 MET HA 1 25 MET HB3 2.214 . 2.827 2.440 2.256 2.587 . 0 0 "[ . 1]" 1
343 1 25 MET HA 1 25 MET ME 3.010 . 4.143 3.545 3.205 3.787 . 0 0 "[ . 1]" 1
344 1 25 MET HA 1 25 MET HG3 2.480 . 3.249 3.128 2.376 3.714 0.465 2 0 "[ . 1]" 1
345 1 25 MET HA 1 26 TYR H 3.343 . 4.740 3.523 3.512 3.546 . 0 0 "[ . 1]" 1
346 1 25 MET HA 1 28 PHE HB2 2.544 . 3.353 2.947 2.370 3.447 0.094 9 0 "[ . 1]" 1
347 1 25 MET HB2 1 26 TYR H 2.777 . 3.741 3.200 2.896 3.951 0.210 4 0 "[ . 1]" 1
348 1 25 MET HB3 1 29 PHE H 3.585 . 5.191 5.052 4.832 5.384 0.193 6 0 "[ . 1]" 1
349 1 25 MET ME 1 25 MET HG2 2.664 . 3.551 2.586 2.445 3.388 . 0 0 "[ . 1]" 1
350 1 25 MET ME 1 25 MET HG3 2.422 . 3.155 2.581 2.409 3.393 0.238 6 0 "[ . 1]" 1
351 1 25 MET ME 1 44 LYS QZ 2.821 . 3.816 3.535 3.112 3.892 0.076 4 0 "[ . 1]" 1
352 1 25 MET ME 1 47 LEU QD 2.441 . 3.186 2.918 2.512 3.189 0.003 10 0 "[ . 1]" 1
353 1 25 MET ME 1 49 ASN HA 2.629 . 3.493 3.100 2.153 3.557 0.064 4 0 "[ . 1]" 1
354 1 25 MET ME 1 51 ILE MD 2.548 . 3.359 2.434 2.052 3.221 . 0 0 "[ . 1]" 1
355 1 26 TYR H 1 26 TYR HA 2.750 . 3.696 2.859 2.841 2.873 . 0 0 "[ . 1]" 1
356 1 26 TYR H 1 26 TYR HB2 2.553 . 3.368 3.576 3.536 3.624 0.256 7 0 "[ . 1]" 1
357 1 26 TYR H 1 26 TYR HB3 2.561 . 3.381 2.433 2.268 2.759 . 0 0 "[ . 1]" 1
358 1 26 TYR H 1 26 TYR QD 2.646 . 3.521 2.443 2.196 2.647 . 0 0 "[ . 1]" 1
359 1 26 TYR H 1 26 TYR QE 3.815 . 5.634 4.441 4.044 4.738 . 0 0 "[ . 1]" 1
360 1 26 TYR H 1 27 LYS H 2.937 . 4.015 2.480 2.391 2.529 . 0 0 "[ . 1]" 1
361 1 26 TYR H 1 27 LYS HB2 3.294 . 4.650 4.539 4.335 4.723 0.073 7 0 "[ . 1]" 1
362 1 26 TYR HA 1 26 TYR HB2 2.069 . 2.604 2.344 2.282 2.493 . 0 0 "[ . 1]" 1
363 1 26 TYR HA 1 26 TYR HB3 2.303 . 2.966 2.561 2.385 2.671 . 0 0 "[ . 1]" 1
364 1 26 TYR HA 1 26 TYR QD 2.959 . 4.054 3.718 3.656 3.762 . 0 0 "[ . 1]" 1
365 1 26 TYR HA 1 27 LYS H 3.292 . 4.647 3.495 3.455 3.526 . 0 0 "[ . 1]" 1
366 1 26 TYR HB2 1 26 TYR QD 2.402 . 3.123 2.398 2.299 2.508 . 0 0 "[ . 1]" 1
367 1 26 TYR HB2 1 27 LYS H 3.039 . 4.193 3.764 3.610 3.884 . 0 0 "[ . 1]" 1
368 1 26 TYR QD 1 27 LYS H 3.343 . 4.740 2.936 2.686 3.193 . 0 0 "[ . 1]" 1
369 1 26 TYR QD 1 27 LYS HB2 2.954 . 4.045 3.572 2.910 4.066 0.021 2 0 "[ . 1]" 1
370 1 26 TYR QD 1 27 LYS HG2 4.028 . 6.056 4.427 2.436 5.475 . 0 0 "[ . 1]" 1
371 1 26 TYR QD 1 27 LYS HG3 3.693 . 5.397 5.142 4.148 5.870 0.473 1 0 "[ . 1]" 1
372 1 26 TYR QE 1 27 LYS HB2 2.899 . 3.950 3.352 2.770 4.044 0.094 2 0 "[ . 1]" 1
373 1 26 TYR QE 1 27 LYS HG2 3.801 . 5.607 3.696 2.013 4.643 . 0 0 "[ . 1]" 1
374 1 26 TYR QE 1 27 LYS HG3 3.425 . 4.891 4.516 3.043 5.497 0.606 1 3 "[+ . - *]" 1
375 1 27 LYS H 1 27 LYS HA 2.927 . 3.998 2.881 2.843 2.904 . 0 0 "[ . 1]" 1
376 1 27 LYS H 1 27 LYS HB2 2.456 . 3.210 2.324 2.108 2.590 . 0 0 "[ . 1]" 1
377 1 27 LYS H 1 27 LYS HB3 3.046 . 4.206 2.872 2.279 3.558 . 0 0 "[ . 1]" 1
378 1 27 LYS H 1 27 LYS HG2 2.986 . 4.101 3.932 2.944 4.481 0.380 7 0 "[ . 1]" 1
379 1 27 LYS H 1 27 LYS HG3 3.091 . 4.285 4.238 4.014 4.420 0.135 4 0 "[ . 1]" 1
380 1 27 LYS H 1 28 PHE H 2.666 . 3.554 2.258 2.182 2.318 . 0 0 "[ . 1]" 1
381 1 27 LYS H 1 29 PHE H 3.738 . 5.484 4.267 4.005 4.580 . 0 0 "[ . 1]" 1
382 1 27 LYS HA 1 27 LYS HD2 2.664 . 3.551 2.921 1.953 3.680 0.129 1 0 "[ . 1]" 1
383 1 27 LYS HA 1 27 LYS HD3 2.611 . 3.463 2.506 1.932 3.556 0.093 9 0 "[ . 1]" 1
384 1 27 LYS HB2 1 27 LYS HG2 2.618 . 3.475 2.460 2.384 2.578 . 0 0 "[ . 1]" 1
385 1 27 LYS HB2 1 27 LYS HG3 2.742 . 3.682 2.670 2.304 2.988 . 0 0 "[ . 1]" 1
386 1 27 LYS HB2 1 28 PHE H 2.785 . 3.754 3.604 2.889 4.213 0.459 1 0 "[ . 1]" 1
387 1 27 LYS HB3 1 27 LYS HG2 1.980 . 2.470 2.116 1.992 2.278 . 0 0 "[ . 1]" 1
388 1 27 LYS HD2 1 27 LYS QE 2.089 . 2.634 2.310 2.171 2.377 . 0 0 "[ . 1]" 1
389 1 27 LYS HD3 1 27 LYS QE 2.356 . 3.050 2.335 2.174 2.385 . 0 0 "[ . 1]" 1
390 1 27 LYS QE 1 27 LYS HG2 2.810 . 3.797 2.577 2.307 3.280 . 0 0 "[ . 1]" 1
391 1 28 PHE H 1 28 PHE HA 2.858 . 3.879 2.817 2.762 2.864 . 0 0 "[ . 1]" 1
392 1 28 PHE H 1 28 PHE HB2 2.630 . 3.495 2.681 2.546 2.784 . 0 0 "[ . 1]" 1
393 1 28 PHE H 1 28 PHE HB3 2.290 . 2.946 2.319 2.179 2.449 . 0 0 "[ . 1]" 1
394 1 28 PHE H 1 28 PHE QD 3.423 . 4.888 4.098 3.990 4.158 . 0 0 "[ . 1]" 1
395 1 28 PHE H 1 29 PHE H 2.712 . 3.631 2.663 2.441 2.828 . 0 0 "[ . 1]" 1
396 1 28 PHE HA 1 28 PHE HB3 2.713 . 3.633 3.012 3.000 3.018 . 0 0 "[ . 1]" 1
397 1 28 PHE HA 1 28 PHE QD 2.621 . 3.480 2.773 2.669 2.897 . 0 0 "[ . 1]" 1
398 1 28 PHE HA 1 31 LEU HB2 2.822 . 3.818 3.282 2.930 3.616 . 0 0 "[ . 1]" 1
399 1 28 PHE HA 1 32 MET H 3.389 . 4.825 4.676 4.454 4.908 0.083 1 0 "[ . 1]" 1
400 1 28 PHE HB2 1 28 PHE QD 2.548 . 3.360 2.471 2.413 2.534 . 0 0 "[ . 1]" 1
401 1 28 PHE HB2 1 29 PHE H 2.362 . 3.060 2.742 2.617 2.839 . 0 0 "[ . 1]" 1
402 1 28 PHE HB3 1 28 PHE QD 2.692 . 3.598 2.296 2.253 2.351 . 0 0 "[ . 1]" 1
403 1 28 PHE HB3 1 29 PHE H 3.074 . 4.255 2.707 2.627 2.853 . 0 0 "[ . 1]" 1
404 1 28 PHE QD 1 29 PHE H 3.405 . 4.855 3.319 3.103 3.527 . 0 0 "[ . 1]" 1
405 1 28 PHE QD 1 29 PHE QD 3.278 . 4.621 3.719 3.359 4.070 . 0 0 "[ . 1]" 1
406 1 28 PHE QD 1 31 LEU QD 2.830 . 3.831 2.822 2.157 3.438 . 0 0 "[ . 1]" 1
407 1 28 PHE QD 1 31 LEU HG 4.090 . 6.181 4.450 4.103 4.701 . 0 0 "[ . 1]" 1
408 1 28 PHE QD 1 32 MET ME 2.751 . 3.697 3.172 2.774 3.817 0.120 6 0 "[ . 1]" 1
409 1 28 PHE QD 1 51 ILE MD 3.255 . 4.579 3.049 2.696 3.222 . 0 0 "[ . 1]" 1
410 1 28 PHE QD 1 51 ILE MG 3.043 . 4.201 2.988 2.753 3.384 . 0 0 "[ . 1]" 1
411 1 28 PHE QD 1 56 TRP HE3 3.581 . 5.184 4.672 4.302 5.128 . 0 0 "[ . 1]" 1
412 1 28 PHE QE 1 29 PHE QD 3.015 . 4.151 4.211 4.003 4.314 0.163 9 0 "[ . 1]" 1
413 1 28 PHE QE 1 31 LEU QD 3.339 . 4.732 3.448 3.224 3.866 . 0 0 "[ . 1]" 1
414 1 28 PHE QE 1 39 LEU QD 2.719 . 3.643 1.885 1.770 2.124 0.025 4 0 "[ . 1]" 1
415 1 28 PHE QE 1 44 LYS QZ 2.579 . 3.410 3.090 2.375 3.491 0.081 4 0 "[ . 1]" 1
416 1 28 PHE QE 1 47 LEU QD 2.833 . 3.836 2.290 2.172 2.598 . 0 0 "[ . 1]" 1
417 1 28 PHE QE 1 51 ILE MD 3.476 . 4.986 2.950 2.686 3.629 . 0 0 "[ . 1]" 1
418 1 28 PHE QE 1 51 ILE MG 2.650 . 3.528 2.465 1.997 3.084 . 0 0 "[ . 1]" 1
419 1 28 PHE QE 1 55 TYR QE 3.253 . 4.575 4.422 4.240 4.659 0.084 7 0 "[ . 1]" 1
420 1 28 PHE QE 1 56 TRP HE3 2.625 . 3.486 2.668 2.110 3.310 . 0 0 "[ . 1]" 1
421 1 28 PHE HZ 1 32 MET ME 2.624 . 3.485 3.205 2.562 3.587 0.102 5 0 "[ . 1]" 1
422 1 28 PHE HZ 1 39 LEU QD 3.203 . 4.485 2.998 2.471 3.543 . 0 0 "[ . 1]" 1
423 1 28 PHE HZ 1 55 TYR QD 3.708 . 5.426 4.350 3.827 5.203 . 0 0 "[ . 1]" 1
424 1 28 PHE HZ 1 55 TYR QE 3.458 . 4.953 4.142 3.610 4.788 . 0 0 "[ . 1]" 1
425 1 28 PHE HZ 1 56 TRP HE3 3.186 . 4.455 3.653 3.014 4.140 . 0 0 "[ . 1]" 1
426 1 28 PHE HZ 1 59 PHE QD 3.163 . 4.414 4.017 3.291 4.455 0.041 8 0 "[ . 1]" 1
427 1 28 PHE HZ 1 59 PHE QE 3.201 . 4.482 4.066 2.986 4.516 0.034 10 0 "[ . 1]" 1
428 1 29 PHE H 1 29 PHE HA 2.593 . 3.434 2.833 2.805 2.846 . 0 0 "[ . 1]" 1
429 1 29 PHE H 1 29 PHE HB2 2.943 . 4.025 2.352 2.254 2.481 . 0 0 "[ . 1]" 1
430 1 29 PHE H 1 29 PHE QD 3.286 . 4.636 4.115 3.995 4.213 . 0 0 "[ . 1]" 1
431 1 29 PHE H 1 30 GLU H 2.567 . 3.391 2.649 2.593 2.786 . 0 0 "[ . 1]" 1
432 1 29 PHE HA 1 32 MET H 3.240 . 4.553 3.361 3.167 3.523 . 0 0 "[ . 1]" 1
433 1 29 PHE HB2 1 29 PHE QD 2.624 . 3.485 2.385 2.345 2.448 . 0 0 "[ . 1]" 1
434 1 29 PHE HB2 1 30 GLU H 2.815 . 3.806 3.769 3.673 3.884 0.078 1 0 "[ . 1]" 1
435 1 29 PHE QD 1 39 LEU QD 3.754 . 5.516 2.911 2.021 3.734 . 0 0 "[ . 1]" 1
436 1 29 PHE QD 1 44 LYS QG 2.984 . 4.097 3.816 3.425 4.137 0.040 6 0 "[ . 1]" 1
437 1 29 PHE QD 1 47 LEU QD 3.447 . 4.933 4.861 4.622 4.968 0.035 5 0 "[ . 1]" 1
438 1 29 PHE QE 1 33 ASN QB 2.435 . 3.176 3.237 2.858 4.851 1.675 10 1 "[ . +]" 1
439 1 29 PHE QE 1 39 LEU QD 2.402 . 3.123 1.964 1.634 2.210 0.047 6 0 "[ . 1]" 1
440 1 29 PHE QE 1 44 LYS HD2 2.856 . 3.875 3.072 2.469 4.521 0.646 5 1 "[ + 1]" 1
441 1 29 PHE QE 1 44 LYS QG 2.838 . 3.845 3.537 3.199 3.705 . 0 0 "[ . 1]" 1
442 1 30 GLU H 1 30 GLU HA 2.628 . 3.492 2.829 2.821 2.837 . 0 0 "[ . 1]" 1
443 1 30 GLU H 1 30 GLU HB3 2.260 . 2.898 2.825 2.657 3.543 0.645 8 1 "[ . + 1]" 1
444 1 30 GLU H 1 30 GLU QG 2.536 . 3.099 1.953 1.821 2.067 . 0 0 "[ . 1]" 1
445 1 30 GLU H 1 31 LEU H 2.692 . 3.598 2.559 2.499 2.609 . 0 0 "[ . 1]" 1
446 1 30 GLU HA 1 31 LEU H 3.087 . 4.278 3.466 3.444 3.492 . 0 0 "[ . 1]" 1
447 1 30 GLU HA 1 33 ASN H 2.853 . 3.871 3.399 2.979 3.845 . 0 0 "[ . 1]" 1
448 1 30 GLU HA 1 34 SER H 2.853 . 3.870 3.945 3.904 4.032 0.162 1 0 "[ . 1]" 1
449 1 30 GLU QG 1 31 LEU H 2.661 . 3.546 2.525 2.351 3.449 . 0 0 "[ . 1]" 1
450 1 30 GLU QG 1 33 ASN QD 3.723 . 5.455 4.236 4.130 4.368 . 0 0 "[ . 1]" 1
451 1 31 LEU H 1 31 LEU HA 2.723 . 3.650 2.797 2.782 2.823 . 0 0 "[ . 1]" 1
452 1 31 LEU H 1 31 LEU HB2 2.579 . 3.410 2.638 2.515 2.721 . 0 0 "[ . 1]" 1
453 1 31 LEU H 1 31 LEU HB3 2.649 . 3.526 2.306 2.252 2.364 . 0 0 "[ . 1]" 1
454 1 31 LEU H 1 31 LEU QD 3.273 . 4.612 3.711 3.618 3.746 . 0 0 "[ . 1]" 1
455 1 31 LEU H 1 31 LEU HG 3.393 . 4.832 4.374 4.293 4.515 . 0 0 "[ . 1]" 1
456 1 31 LEU H 1 32 MET H 2.841 . 3.850 2.682 2.605 2.738 . 0 0 "[ . 1]" 1
457 1 31 LEU HA 1 31 LEU QD 2.208 . 2.818 2.312 2.206 2.413 . 0 0 "[ . 1]" 1
458 1 31 LEU HA 1 32 MET H 2.554 . 3.370 3.502 3.475 3.517 0.147 8 0 "[ . 1]" 1
459 1 31 LEU HA 1 34 SER H 2.856 . 3.875 3.398 2.728 3.501 . 0 0 "[ . 1]" 1
460 1 31 LEU HB2 1 31 LEU QD 2.733 . 3.667 2.189 2.110 2.474 . 0 0 "[ . 1]" 1
461 1 31 LEU HB3 1 31 LEU QD 3.112 . 3.622 2.192 2.170 2.224 . 0 0 "[ . 1]" 1
462 1 31 LEU HB3 1 32 MET H 2.653 . 3.533 2.816 2.647 3.006 . 0 0 "[ . 1]" 1
463 1 31 LEU MD1 1 31 LEU MD2 2.271 . 2.916 2.082 2.068 2.091 . 0 0 "[ . 1]" 1
464 1 31 LEU QD 1 32 MET H 3.404 . 4.852 3.681 2.862 3.981 . 0 0 "[ . 1]" 1
465 1 31 LEU QD 1 35 PHE QD 3.591 . 5.203 3.734 3.251 4.190 . 0 0 "[ . 1]" 1
466 1 31 LEU QD 1 35 PHE QE 2.381 . 3.090 2.703 2.514 3.078 . 0 0 "[ . 1]" 1
467 1 31 LEU QD 1 56 TRP HD1 3.508 . 5.046 3.491 3.021 3.819 . 0 0 "[ . 1]" 1
468 1 31 LEU QD 1 56 TRP HE1 3.640 . 5.296 2.762 2.467 2.974 . 0 0 "[ . 1]" 1
469 1 31 LEU QD 1 56 TRP HE3 3.776 . 5.558 3.796 3.623 4.045 . 0 0 "[ . 1]" 1
470 1 31 LEU QD 1 56 TRP HZ2 2.862 . 3.886 3.033 2.692 3.317 . 0 0 "[ . 1]" 1
471 1 31 LEU HG 1 32 MET H 3.304 . 4.669 3.890 3.523 4.857 0.188 3 0 "[ . 1]" 1
472 1 31 LEU HG 1 35 PHE QD 4.712 . 7.487 4.448 3.629 6.396 . 0 0 "[ . 1]" 1
473 1 32 MET H 1 32 MET HA 2.827 . 3.826 2.911 2.892 2.927 . 0 0 "[ . 1]" 1
474 1 32 MET H 1 32 MET HG3 2.627 . 3.490 2.473 1.709 3.430 0.055 6 0 "[ . 1]" 1
475 1 32 MET H 1 33 ASN H 2.099 . 2.650 2.367 2.275 2.465 . 0 0 "[ . 1]" 1
476 1 32 MET HA 1 32 MET HB3 2.801 . 3.781 2.411 2.273 2.559 . 0 0 "[ . 1]" 1
477 1 32 MET HA 1 34 SER H 2.693 . 3.600 3.742 3.690 3.774 0.174 8 0 "[ . 1]" 1
478 1 32 MET HA 1 35 PHE QD 3.183 . 4.450 2.621 2.201 3.136 . 0 0 "[ . 1]" 1
479 1 32 MET HA 1 56 TRP HZ2 2.775 . 3.737 3.388 2.993 3.765 0.028 2 0 "[ . 1]" 1
480 1 32 MET HA 1 56 TRP HZ3 3.451 . 4.939 4.078 3.748 4.525 . 0 0 "[ . 1]" 1
481 1 32 MET HB3 1 32 MET ME 2.453 . 3.205 2.951 1.952 4.019 0.814 8 3 "[ * -+ 1]" 1
482 1 32 MET HB3 1 56 TRP HE3 4.031 . 6.062 4.696 4.008 6.078 0.016 2 0 "[ . 1]" 1
483 1 32 MET ME 1 32 MET HG2 3.010 . 4.143 2.576 2.159 3.404 . 0 0 "[ . 1]" 1
484 1 32 MET ME 1 32 MET HG3 2.656 . 3.538 3.063 2.472 3.398 . 0 0 "[ . 1]" 1
485 1 32 MET ME 1 39 LEU HA 3.042 . 4.199 4.170 3.821 4.312 0.113 3 0 "[ . 1]" 1
486 1 32 MET ME 1 44 LYS QZ 2.489 . 3.264 3.402 3.269 3.492 0.228 3 0 "[ . 1]" 1
487 1 33 ASN H 1 33 ASN HA 2.534 . 3.337 2.833 2.804 2.843 . 0 0 "[ . 1]" 1
488 1 33 ASN H 1 33 ASN QB 2.180 . 2.774 2.406 2.328 2.638 . 0 0 "[ . 1]" 1
489 1 33 ASN H 1 33 ASN QD 2.844 . 3.855 2.501 2.211 3.388 . 0 0 "[ . 1]" 1
490 1 33 ASN HA 1 33 ASN QB 2.406 . 3.129 2.183 2.154 2.318 . 0 0 "[ . 1]" 1
491 1 33 ASN HA 1 33 ASN QD 3.158 . 4.405 3.958 3.593 4.101 . 0 0 "[ . 1]" 1
492 1 33 ASN HA 1 35 PHE H 3.593 . 5.207 3.829 3.651 3.974 . 0 0 "[ . 1]" 1
493 1 33 ASN HA 1 36 GLY H 3.219 . 4.515 3.244 2.833 3.635 . 0 0 "[ . 1]" 1
494 1 33 ASN QB 1 33 ASN QD 2.722 . 3.648 2.231 2.017 2.652 . 0 0 "[ . 1]" 1
495 1 33 ASN QB 1 36 GLY H 3.459 . 4.955 4.494 4.279 4.744 . 0 0 "[ . 1]" 1
496 1 33 ASN QD 1 34 SER HA 3.824 . 5.590 4.360 3.303 5.551 . 0 0 "[ . 1]" 1
497 1 34 SER H 1 34 SER HA 2.361 . 3.058 2.831 2.804 2.843 . 0 0 "[ . 1]" 1
498 1 34 SER H 1 34 SER QB 2.247 . 2.878 2.471 2.245 2.710 . 0 0 "[ . 1]" 1
499 1 34 SER H 1 35 PHE H 2.583 . 3.417 2.554 2.509 2.607 . 0 0 "[ . 1]" 1
500 1 34 SER H 1 35 PHE H 2.510 . 3.297 2.188 2.082 2.265 . 0 0 "[ . 1]" 1
501 1 34 SER HA 1 36 GLY H 3.437 . 4.914 3.724 3.548 4.014 . 0 0 "[ . 1]" 1
502 1 34 SER QB 1 35 PHE H 3.018 . 4.156 3.123 2.717 3.571 . 0 0 "[ . 1]" 1
503 1 35 PHE H 1 35 PHE HB2 2.545 . 3.355 2.363 2.296 2.445 . 0 0 "[ . 1]" 1
504 1 35 PHE H 1 35 PHE HB3 2.746 . 3.689 3.606 3.570 3.653 . 0 0 "[ . 1]" 1
505 1 35 PHE H 1 36 GLY H 2.663 . 3.550 2.383 2.218 2.487 . 0 0 "[ . 1]" 1
506 1 35 PHE HB2 1 37 ILE H 2.270 . 2.914 2.446 2.427 2.464 . 0 0 "[ . 1]" 1
507 1 35 PHE HB2 1 37 ILE MD 2.412 . 3.139 2.478 2.071 2.707 . 0 0 "[ . 1]" 1
508 1 35 PHE HB3 1 35 PHE QD 3.254 . 4.578 2.419 2.347 2.515 . 0 0 "[ . 1]" 1
509 1 35 PHE QD 1 56 TRP HH2 3.321 . 4.700 3.443 2.957 4.048 . 0 0 "[ . 1]" 1
510 1 35 PHE QD 1 56 TRP HZ2 3.307 . 4.674 2.869 2.583 3.426 . 0 0 "[ . 1]" 1
511 1 35 PHE QE 1 56 TRP HZ2 2.616 . 3.471 2.920 2.567 3.459 . 0 0 "[ . 1]" 1
512 1 36 GLY H 1 36 GLY HA2 2.385 . 3.096 2.325 2.307 2.353 . 0 0 "[ . 1]" 1
513 1 36 GLY H 1 37 ILE H 2.797 . 3.775 2.403 2.300 2.518 . 0 0 "[ . 1]" 1
514 1 36 GLY HA2 1 37 ILE H 2.854 . 3.872 3.102 2.998 3.202 . 0 0 "[ . 1]" 1
515 1 37 ILE H 1 37 ILE HB 2.269 . 2.913 2.471 2.384 2.525 . 0 0 "[ . 1]" 1
516 1 37 ILE H 1 37 ILE MD 2.675 . 3.569 3.589 3.318 3.643 0.074 1 0 "[ . 1]" 1
517 1 37 ILE HA 1 37 ILE HG13 2.890 . 3.934 3.041 2.858 3.771 . 0 0 "[ . 1]" 1
518 1 37 ILE HA 1 37 ILE MG 2.315 . 2.985 2.418 2.392 2.472 . 0 0 "[ . 1]" 1
519 1 37 ILE HA 1 38 ILE H 2.076 . 2.615 2.169 2.139 2.200 . 0 0 "[ . 1]" 1
520 1 37 ILE HA 1 63 HIS HD2 3.648 . 5.312 5.052 4.830 5.342 0.030 10 0 "[ . 1]" 1
521 1 37 ILE HA 1 63 HIS HE1 3.820 . 5.644 4.660 2.539 5.693 0.049 1 0 "[ . 1]" 1
522 1 37 ILE HB 1 37 ILE MD 2.516 . 3.307 2.489 2.391 3.233 . 0 0 "[ . 1]" 1
523 1 37 ILE MD 1 37 ILE HG12 2.305 . 2.969 2.116 2.112 2.118 . 0 0 "[ . 1]" 1
524 1 37 ILE MD 1 37 ILE MG 2.098 . 2.648 1.943 1.929 1.964 . 0 0 "[ . 1]" 1
525 1 37 ILE MD 1 56 TRP HH2 2.666 . 3.554 2.234 1.859 3.525 . 0 0 "[ . 1]" 1
526 1 37 ILE MD 1 56 TRP HZ3 3.320 . 4.698 3.328 2.759 4.175 . 0 0 "[ . 1]" 1
527 1 37 ILE MD 1 59 PHE QE 2.720 . 3.645 3.516 2.959 3.680 0.035 9 0 "[ . 1]" 1
528 1 37 ILE MD 1 60 ALA HA 2.443 . 3.189 2.906 2.390 3.203 0.014 9 0 "[ . 1]" 1
529 1 37 ILE MD 1 63 HIS HE1 4.060 . 6.120 4.969 2.786 5.977 . 0 0 "[ . 1]" 1
530 1 37 ILE MG 1 59 PHE QD 2.975 . 4.081 3.374 3.084 3.731 . 0 0 "[ . 1]" 1
531 1 37 ILE MG 1 59 PHE QE 2.583 . 3.417 2.118 1.830 2.477 . 0 0 "[ . 1]" 1
532 1 37 ILE MG 1 63 HIS HD2 3.518 . 5.065 4.210 3.807 4.647 . 0 0 "[ . 1]" 1
533 1 37 ILE MG 1 63 HIS HE1 3.113 . 4.325 3.051 2.590 3.447 . 0 0 "[ . 1]" 1
534 1 38 ILE H 1 38 ILE HA 2.731 . 3.663 2.927 2.903 2.941 . 0 0 "[ . 1]" 1
535 1 38 ILE H 1 38 ILE HB 2.428 . 3.165 2.648 2.406 2.985 . 0 0 "[ . 1]" 1
536 1 38 ILE H 1 38 ILE MD 3.273 . 4.612 3.706 3.604 3.800 . 0 0 "[ . 1]" 1
537 1 38 ILE H 1 38 ILE HG12 2.953 . 4.043 2.519 1.913 3.753 . 0 0 "[ . 1]" 1
538 1 38 ILE H 1 38 ILE HG13 3.059 . 4.228 2.600 2.474 2.696 . 0 0 "[ . 1]" 1
539 1 38 ILE H 1 38 ILE MG 2.616 . 3.472 3.218 2.926 3.771 0.299 10 0 "[ . 1]" 1
540 1 38 ILE HA 1 38 ILE MD 3.172 . 4.429 4.070 3.811 4.180 . 0 0 "[ . 1]" 1
541 1 38 ILE HA 1 38 ILE HG12 2.705 . 3.619 3.309 2.491 3.676 0.057 6 0 "[ . 1]" 1
542 1 38 ILE HA 1 38 ILE HG13 3.051 . 4.214 3.521 2.975 3.786 . 0 0 "[ . 1]" 1
543 1 38 ILE HA 1 38 ILE MG 2.070 . 2.606 2.271 2.175 2.433 . 0 0 "[ . 1]" 1
544 1 38 ILE HA 1 39 LEU H 2.213 . 2.825 2.174 2.075 2.273 . 0 0 "[ . 1]" 1
545 1 38 ILE HB 1 38 ILE MD 2.575 . 3.404 2.426 2.403 2.460 . 0 0 "[ . 1]" 1
546 1 38 ILE HB 1 38 ILE MD 1.837 . 2.259 1.993 1.988 2.004 . 0 0 "[ . 1]" 1
547 1 38 ILE MD 1 38 ILE HG12 2.169 . 2.757 1.887 1.885 1.889 . 0 0 "[ . 1]" 1
548 1 38 ILE MD 1 38 ILE HG13 1.831 . 2.250 1.887 1.886 1.889 . 0 0 "[ . 1]" 1
549 1 38 ILE HG12 1 38 ILE MG 2.367 . 3.067 2.395 2.352 2.438 . 0 0 "[ . 1]" 1
550 1 38 ILE HG12 1 38 ILE MG 1.874 . 2.313 1.985 1.973 1.997 . 0 0 "[ . 1]" 1
551 1 38 ILE HG13 1 38 ILE MG 2.582 . 3.416 3.206 3.197 3.213 . 0 0 "[ . 1]" 1
552 1 38 ILE HG13 1 63 HIS HE1 4.088 . 6.177 4.680 3.870 6.149 . 0 0 "[ . 1]" 1
553 1 38 ILE MG 1 39 LEU H 2.561 . 3.381 3.311 2.881 3.497 0.116 6 0 "[ . 1]" 1
554 1 39 LEU H 1 39 LEU HB2 2.345 . 3.032 2.758 2.296 3.221 0.189 9 0 "[ . 1]" 1
555 1 39 LEU H 1 39 LEU HB3 2.550 . 3.363 2.951 2.466 3.504 0.141 6 0 "[ . 1]" 1
556 1 39 LEU H 1 40 THR H 3.280 . 4.625 3.801 3.670 3.861 . 0 0 "[ . 1]" 1
557 1 39 LEU HA 1 39 LEU HB2 2.377 . 3.084 2.338 2.199 2.465 . 0 0 "[ . 1]" 1
558 1 39 LEU HA 1 39 LEU HB3 2.672 . 3.564 2.944 2.691 3.020 . 0 0 "[ . 1]" 1
559 1 39 LEU HA 1 39 LEU QD 2.254 . 2.889 2.330 1.942 2.808 . 0 0 "[ . 1]" 1
560 1 39 LEU HA 1 40 THR H 2.309 . 2.976 2.184 2.138 2.223 . 0 0 "[ . 1]" 1
561 1 39 LEU HB2 1 39 LEU QD 2.629 . 3.493 2.226 2.108 2.394 . 0 0 "[ . 1]" 1
562 1 39 LEU HB2 1 40 THR H 2.710 . 3.628 3.599 3.243 3.963 0.335 1 0 "[ . 1]" 1
563 1 39 LEU HB3 1 39 LEU QD 2.407 . 3.131 2.123 2.013 2.256 . 0 0 "[ . 1]" 1
564 1 39 LEU HB3 1 40 THR H 3.194 . 4.469 3.938 3.039 4.333 . 0 0 "[ . 1]" 1
565 1 39 LEU MD1 1 39 LEU MD2 2.044 . 2.566 2.044 2.021 2.061 . 0 0 "[ . 1]" 1
566 1 39 LEU QD 1 39 LEU HG 2.124 . 2.688 1.887 1.878 1.892 . 0 0 "[ . 1]" 1
567 1 39 LEU QD 1 40 THR H 2.868 . 3.896 2.494 2.218 2.702 . 0 0 "[ . 1]" 1
568 1 39 LEU QD 1 43 GLU HB2 2.739 . 3.677 2.031 1.818 2.239 . 0 0 "[ . 1]" 1
569 1 39 LEU QD 1 43 GLU HB3 2.610 . 3.462 2.274 2.031 2.722 . 0 0 "[ . 1]" 1
570 1 39 LEU QD 1 44 LYS H 2.912 . 3.972 2.576 2.187 2.977 . 0 0 "[ . 1]" 1
571 1 39 LEU QD 1 44 LYS HA 2.447 . 3.195 2.175 1.684 2.472 0.015 7 0 "[ . 1]" 1
572 1 39 LEU QD 1 44 LYS QZ 2.636 . 3.504 2.296 1.592 3.362 0.176 10 0 "[ . 1]" 1
573 1 39 LEU QD 1 47 LEU QD . . 2.801 1.712 1.584 1.876 0.286 2 0 "[ . 1]" 1
574 1 39 LEU QD 1 51 ILE MD 2.732 . 3.665 2.275 1.975 2.579 . 0 0 "[ . 1]" 1
575 1 39 LEU QD 1 59 PHE QE 2.371 . 3.074 2.001 1.659 2.144 0.009 6 0 "[ . 1]" 1
576 1 39 LEU QD 1 47 LEU HG 2.585 . 3.421 2.988 2.607 3.452 0.031 7 0 "[ . 1]" 1
577 1 39 LEU QD 1 59 PHE QE 2.545 . 3.355 1.992 1.642 2.272 0.093 6 0 "[ . 1]" 1
578 1 40 THR H 1 40 THR HA 2.828 . 3.828 2.904 2.883 2.910 . 0 0 "[ . 1]" 1
579 1 40 THR H 1 40 THR HB 3.118 . 4.333 3.612 3.581 3.651 . 0 0 "[ . 1]" 1
580 1 40 THR H 1 40 THR MG 2.532 . 3.333 2.786 2.699 2.903 . 0 0 "[ . 1]" 1
581 1 40 THR H 1 43 GLU H 3.307 . 4.674 3.538 3.380 3.666 . 0 0 "[ . 1]" 1
582 1 40 THR H 1 44 LYS H 3.636 . 5.289 3.998 3.790 4.251 . 0 0 "[ . 1]" 1
583 1 40 THR H 1 43 GLU H 3.405 . 4.854 3.805 3.594 4.016 . 0 0 "[ . 1]" 1
584 1 40 THR H 1 43 GLU HB2 2.525 . 3.322 2.557 2.281 2.708 . 0 0 "[ . 1]" 1
585 1 40 THR H 1 43 GLU HB3 2.929 . 4.001 3.950 3.699 4.084 0.083 2 0 "[ . 1]" 1
586 1 40 THR HA 1 40 THR HB 2.291 . 2.947 2.563 2.528 2.599 . 0 0 "[ . 1]" 1
587 1 40 THR HA 1 40 THR MG 2.218 . 2.833 2.230 2.210 2.250 . 0 0 "[ . 1]" 1
588 1 40 THR HA 1 41 ASN H 2.766 . 3.723 2.441 2.396 2.484 . 0 0 "[ . 1]" 1
589 1 40 THR HB 1 40 THR MG 2.233 . 2.856 2.126 2.122 2.132 . 0 0 "[ . 1]" 1
590 1 40 THR HB 1 42 ASP H 2.313 . 2.982 2.734 2.536 2.882 . 0 0 "[ . 1]" 1
591 1 40 THR MG 1 41 ASN H 2.465 . 3.225 3.318 3.220 3.378 0.153 6 0 "[ . 1]" 1
592 1 40 THR MG 1 42 ASP H 3.798 . 5.601 4.339 4.177 4.472 . 0 0 "[ . 1]" 1
593 1 41 ASN H 1 41 ASN QB 3.838 . 5.679 2.322 2.247 2.443 . 0 0 "[ . 1]" 1
594 1 41 ASN HA 1 44 LYS H 2.888 . 3.931 3.457 3.151 3.904 . 0 0 "[ . 1]" 1
595 1 41 ASN QB 1 41 ASN HD21 2.759 . 3.710 2.203 2.149 2.237 . 0 0 "[ . 1]" 1
596 1 41 ASN QB 1 41 ASN HD22 3.131 . 4.356 3.276 3.215 3.300 . 0 0 "[ . 1]" 1
597 1 41 ASN QB 1 42 ASP H 2.875 . 3.909 2.582 2.455 2.755 . 0 0 "[ . 1]" 1
598 1 42 ASP H 1 42 ASP HA 2.725 . 3.653 2.804 2.794 2.818 . 0 0 "[ . 1]" 1
599 1 43 GLU H 1 43 GLU HB2 2.157 . 2.739 2.396 2.278 2.484 . 0 0 "[ . 1]" 1
600 1 43 GLU H 1 43 GLU HG2 2.783 . 3.751 3.575 3.349 3.687 . 0 0 "[ . 1]" 1
601 1 43 GLU H 1 44 LYS H 2.360 . 3.056 2.651 2.569 2.782 . 0 0 "[ . 1]" 1
602 1 43 GLU H 1 44 LYS H 2.315 . 2.985 2.408 2.369 2.479 . 0 0 "[ . 1]" 1
603 1 43 GLU HA 1 43 GLU HG2 2.449 . 3.199 2.467 2.252 2.582 . 0 0 "[ . 1]" 1
604 1 43 GLU HA 1 43 GLU HG3 2.363 . 3.061 3.012 2.882 3.204 0.143 8 0 "[ . 1]" 1
605 1 43 GLU HA 1 46 ALA MB 2.628 . 3.491 2.575 2.268 3.464 . 0 0 "[ . 1]" 1
606 1 43 GLU HB2 1 44 LYS H 2.700 . 3.611 2.630 2.429 2.801 . 0 0 "[ . 1]" 1
607 1 44 LYS H 1 44 LYS HA 2.723 . 3.650 2.777 2.761 2.786 . 0 0 "[ . 1]" 1
608 1 44 LYS H 1 44 LYS QB 2.311 . 2.979 2.438 2.229 2.598 . 0 0 "[ . 1]" 1
609 1 44 LYS H 1 44 LYS QG 3.121 . 3.161 2.323 1.937 2.674 . 0 0 "[ . 1]" 1
610 1 44 LYS H 1 46 ALA H 3.387 . 4.821 3.944 3.833 4.250 . 0 0 "[ . 1]" 1
611 1 44 LYS H 1 47 LEU QD 3.082 . 4.270 3.907 3.471 4.098 . 0 0 "[ . 1]" 1
612 1 44 LYS HA 1 44 LYS QB 2.380 . 3.088 2.376 2.148 2.475 . 0 0 "[ . 1]" 1
613 1 44 LYS HA 1 47 LEU H 2.744 . 3.685 3.365 3.167 3.640 . 0 0 "[ . 1]" 1
614 1 44 LYS HA 1 47 LEU QD 2.570 . 3.396 2.413 1.718 2.831 0.026 7 0 "[ . 1]" 1
615 1 44 LYS HA 1 47 LEU HG 2.814 . 3.804 2.121 1.716 4.027 0.223 7 0 "[ . 1]" 1
616 1 44 LYS QB 1 44 LYS HD3 2.214 . 2.826 2.549 2.242 3.442 0.616 5 1 "[ + 1]" 1
617 1 44 LYS QB 1 45 ALA H 2.585 . 3.421 2.737 2.523 3.503 0.082 8 0 "[ . 1]" 1
618 1 44 LYS HD3 1 44 LYS HE2 2.493 . 3.270 2.487 2.282 3.007 . 0 0 "[ . 1]" 1
619 1 44 LYS HD3 1 44 LYS HE3 2.651 . 3.529 2.508 2.371 3.015 . 0 0 "[ . 1]" 1
620 1 44 LYS QG 1 46 ALA H 3.825 . 5.654 5.162 4.405 5.423 . 0 0 "[ . 1]" 1
621 1 44 LYS QZ 1 47 LEU QD 2.309 . 2.976 2.880 2.222 3.078 0.102 8 0 "[ . 1]" 1
622 1 45 ALA H 1 45 ALA HA 2.386 . 3.097 2.836 2.810 2.857 . 0 0 "[ . 1]" 1
623 1 45 ALA H 1 45 ALA MB 2.126 . 2.691 2.239 2.233 2.248 . 0 0 "[ . 1]" 1
624 1 45 ALA H 1 46 ALA H 2.739 . 3.677 2.578 2.475 2.752 . 0 0 "[ . 1]" 1
625 1 45 ALA H 1 47 LEU H 3.864 . 5.731 4.114 3.903 4.269 . 0 0 "[ . 1]" 1
626 1 45 ALA HA 1 45 ALA MB 1.916 . 2.375 2.128 2.122 2.130 . 0 0 "[ . 1]" 1
627 1 45 ALA HA 1 46 ALA H 2.892 . 3.938 3.400 3.368 3.463 . 0 0 "[ . 1]" 1
628 1 46 ALA H 1 46 ALA HA 2.516 . 3.307 2.933 2.910 2.950 . 0 0 "[ . 1]" 1
629 1 46 ALA H 1 46 ALA MB 2.142 . 2.715 2.344 2.299 2.412 . 0 0 "[ . 1]" 1
630 1 46 ALA H 1 47 LEU HG 3.409 . 4.862 3.715 3.366 5.145 0.283 7 0 "[ . 1]" 1
631 1 46 ALA HA 1 46 ALA MB 1.946 . 2.419 2.127 2.124 2.136 . 0 0 "[ . 1]" 1
632 1 46 ALA MB 1 47 LEU H 2.960 . 4.056 3.117 2.798 3.351 . 0 0 "[ . 1]" 1
633 1 47 LEU H 1 47 LEU HA 2.769 . 3.728 2.869 2.793 2.910 . 0 0 "[ . 1]" 1
634 1 47 LEU H 1 47 LEU HB2 2.673 . 3.566 2.625 2.310 2.784 . 0 0 "[ . 1]" 1
635 1 47 LEU H 1 47 LEU HG 2.379 . 3.086 2.464 2.156 3.436 0.350 7 0 "[ . 1]" 1
636 1 47 LEU H 1 48 PRO HD2 3.804 . 5.613 5.117 4.776 5.233 . 0 0 "[ . 1]" 1
637 1 47 LEU HA 1 47 LEU QD 2.247 . 2.878 2.199 2.001 2.754 . 0 0 "[ . 1]" 1
638 1 47 LEU HA 1 48 PRO HD2 2.300 . 2.961 2.584 2.157 2.910 . 0 0 "[ . 1]" 1
639 1 47 LEU HA 1 48 PRO HD3 2.403 . 3.125 2.066 1.919 2.476 . 0 0 "[ . 1]" 1
640 1 47 LEU HB2 1 55 TYR QD 3.907 . 5.815 5.886 5.624 6.512 0.697 5 1 "[ + 1]" 1
641 1 47 LEU HB3 1 47 LEU QD 2.095 . 2.644 2.118 2.059 2.281 . 0 0 "[ . 1]" 1
642 1 47 LEU HB3 1 47 LEU HG 2.861 . 3.884 2.941 2.436 3.010 . 0 0 "[ . 1]" 1
643 1 47 LEU QD 1 51 ILE MD 2.589 . 3.427 2.288 1.979 2.595 . 0 0 "[ . 1]" 1
644 1 47 LEU QD 1 55 TYR QD 2.943 . 3.951 3.594 3.496 3.685 . 0 0 "[ . 1]" 1
645 1 47 LEU QD 1 55 TYR QE 3.333 . 3.655 1.945 1.783 2.343 0.162 4 0 "[ . 1]" 1
646 1 47 LEU QD 1 59 PHE QD 2.729 . 3.660 2.703 2.295 3.001 . 0 0 "[ . 1]" 1
647 1 47 LEU QD 1 59 PHE QE 2.566 . 3.389 2.218 1.931 2.530 . 0 0 "[ . 1]" 1
648 1 48 PRO HA 1 48 PRO HB3 2.388 . 3.101 2.293 2.281 2.298 . 0 0 "[ . 1]" 1
649 1 48 PRO HA 1 49 ASN H 2.209 . 2.819 2.254 2.190 2.380 . 0 0 "[ . 1]" 1
650 1 48 PRO HA 1 51 ILE H 3.860 . 5.722 5.384 5.231 5.524 . 0 0 "[ . 1]" 1
651 1 48 PRO HA 1 50 ASP H 3.003 . 4.130 4.047 3.897 4.153 0.023 4 0 "[ . 1]" 1
652 1 48 PRO HB2 1 48 PRO HG3 2.766 . 3.722 2.926 2.663 2.995 . 0 0 "[ . 1]" 1
653 1 48 PRO HB2 1 49 ASN H 3.032 . 4.181 3.390 2.763 3.693 . 0 0 "[ . 1]" 1
654 1 48 PRO HB3 1 48 PRO HG3 2.429 . 3.166 2.315 2.307 2.321 . 0 0 "[ . 1]" 1
655 1 48 PRO HB3 1 49 ASN H 2.908 . 3.965 3.257 3.068 3.627 . 0 0 "[ . 1]" 1
656 1 48 PRO HD2 1 48 PRO HG2 2.691 . 3.596 2.313 2.309 2.317 . 0 0 "[ . 1]" 1
657 1 48 PRO HD2 1 55 TYR QE 3.520 . 5.069 3.219 2.553 4.057 . 0 0 "[ . 1]" 1
658 1 48 PRO HD3 1 48 PRO HG2 2.778 . 3.743 2.748 2.683 2.991 . 0 0 "[ . 1]" 1
659 1 48 PRO HD3 1 48 PRO HG3 2.495 . 3.273 2.309 2.306 2.314 . 0 0 "[ . 1]" 1
660 1 49 ASN H 1 49 ASN HA 2.675 . 3.570 2.819 2.811 2.841 . 0 0 "[ . 1]" 1
661 1 49 ASN H 1 49 ASN HB2 2.445 . 3.192 2.452 2.378 2.593 . 0 0 "[ . 1]" 1
662 1 49 ASN H 1 49 ASN HD21 3.225 . 4.525 3.918 2.264 4.634 0.109 7 0 "[ . 1]" 1
663 1 49 ASN H 1 50 ASP H 2.349 . 3.039 2.595 2.522 2.634 . 0 0 "[ . 1]" 1
664 1 49 ASN HA 1 49 ASN HB3 2.138 . 2.709 2.618 2.470 3.026 0.317 9 0 "[ . 1]" 1
665 1 49 ASN HA 1 50 ASP H 2.866 . 3.892 3.479 3.457 3.499 . 0 0 "[ . 1]" 1
666 1 49 ASN HB2 1 49 ASN HD22 2.893 . 3.939 3.700 3.473 4.037 0.098 9 0 "[ . 1]" 1
667 1 49 ASN HB2 1 50 ASP H 2.507 . 3.293 3.124 2.764 4.034 0.741 9 2 "[ . +-]" 1
668 1 50 ASP H 1 50 ASP HA 2.655 . 3.536 2.941 2.929 2.948 . 0 0 "[ . 1]" 1
669 1 50 ASP H 1 50 ASP QB 2.634 . 3.501 2.695 2.426 3.093 . 0 0 "[ . 1]" 1
670 1 50 ASP H 1 51 ILE H 3.399 . 4.843 4.227 4.135 4.273 . 0 0 "[ . 1]" 1
671 1 50 ASP HA 1 50 ASP QB 2.595 . 3.228 2.301 2.186 2.428 . 0 0 "[ . 1]" 1
672 1 50 ASP HA 1 51 ILE H 2.172 . 2.761 2.133 2.096 2.162 . 0 0 "[ . 1]" 1
673 1 50 ASP QB 1 51 ILE H 3.237 . 4.547 3.455 3.271 3.854 . 0 0 "[ . 1]" 1
674 1 51 ILE H 1 51 ILE HB 2.623 . 3.483 2.523 2.283 2.606 . 0 0 "[ . 1]" 1
675 1 51 ILE H 1 51 ILE MD 3.393 . 4.832 3.741 2.352 3.974 . 0 0 "[ . 1]" 1
676 1 51 ILE H 1 51 ILE HG12 2.911 . 3.970 3.842 3.728 4.208 0.238 4 0 "[ . 1]" 1
677 1 51 ILE H 1 51 ILE HG13 3.238 . 4.548 2.760 2.514 3.821 . 0 0 "[ . 1]" 1
678 1 51 ILE HA 1 51 ILE MD 3.021 . 4.162 3.717 2.847 3.856 . 0 0 "[ . 1]" 1
679 1 51 ILE HA 1 51 ILE HG13 2.793 . 3.768 2.930 2.248 3.050 . 0 0 "[ . 1]" 1
680 1 51 ILE HA 1 51 ILE MG 2.499 . 3.279 2.436 2.365 2.630 . 0 0 "[ . 1]" 1
681 1 51 ILE HA 1 52 ASN H 2.263 . 2.903 2.144 2.092 2.191 . 0 0 "[ . 1]" 1
682 1 51 ILE HA 1 55 TYR QD 3.333 . 4.722 4.245 3.634 4.646 . 0 0 "[ . 1]" 1
683 1 51 ILE HB 1 51 ILE MD 2.646 . 3.521 2.426 2.319 2.465 . 0 0 "[ . 1]" 1
684 1 51 ILE HB 1 51 ILE HG12 2.809 . 3.795 2.981 2.575 3.028 . 0 0 "[ . 1]" 1
685 1 51 ILE HB 1 51 ILE MG 2.401 . 3.122 2.129 2.114 2.133 . 0 0 "[ . 1]" 1
686 1 51 ILE HB 1 52 ASN H 3.826 . 5.655 4.215 4.118 4.339 . 0 0 "[ . 1]" 1
687 1 51 ILE HB 1 55 TYR QD 3.630 . 5.278 4.952 4.520 5.315 0.037 7 0 "[ . 1]" 1
688 1 51 ILE MD 1 51 ILE HG12 2.476 . 3.242 2.116 2.113 2.118 . 0 0 "[ . 1]" 1
689 1 51 ILE MD 1 51 ILE HG13 2.284 . 2.936 2.118 2.116 2.120 . 0 0 "[ . 1]" 1
690 1 51 ILE MD 1 51 ILE MG 2.380 . 3.088 2.062 1.906 3.200 0.112 4 0 "[ . 1]" 1
691 1 51 ILE MD 1 55 TYR QD 3.363 . 4.777 3.214 2.634 3.701 . 0 0 "[ . 1]" 1
692 1 51 ILE MD 1 55 TYR QE 3.497 . 5.026 3.638 3.126 4.258 . 0 0 "[ . 1]" 1
693 1 51 ILE HG12 1 51 ILE MG 2.700 . 3.611 2.371 2.195 2.413 . 0 0 "[ . 1]" 1
694 1 51 ILE HG13 1 51 ILE MG 2.750 . 3.695 3.141 2.567 3.207 . 0 0 "[ . 1]" 1
695 1 51 ILE HG13 1 52 ASN H 3.784 . 5.574 4.919 3.925 5.100 . 0 0 "[ . 1]" 1
696 1 51 ILE HG13 1 55 TYR QD 3.722 . 5.453 4.700 2.192 5.412 . 0 0 "[ . 1]" 1
697 1 51 ILE MG 1 52 ASN H 2.864 . 3.889 2.688 2.488 2.865 . 0 0 "[ . 1]" 1
698 1 51 ILE MG 1 55 TYR HB2 2.832 . 3.835 3.527 3.259 3.841 0.006 10 0 "[ . 1]" 1
699 1 51 ILE MG 1 55 TYR QD 2.428 . 3.165 2.322 2.082 2.540 . 0 0 "[ . 1]" 1
700 1 51 ILE MG 1 55 TYR QE 3.737 . 5.483 4.073 3.799 4.402 . 0 0 "[ . 1]" 1
701 1 51 ILE MG 1 56 TRP HB3 3.103 . 4.307 3.948 3.462 4.209 . 0 0 "[ . 1]" 1
702 1 52 ASN H 1 53 MET H 3.030 . 4.178 3.579 3.422 3.705 . 0 0 "[ . 1]" 1
703 1 52 ASN H 1 52 ASN HB3 2.438 . 3.181 2.882 2.399 3.669 0.488 7 0 "[ . 1]" 1
704 1 52 ASN H 1 53 MET H 3.223 . 4.521 4.451 4.348 4.566 0.045 8 0 "[ . 1]" 1
705 1 52 ASN HA 1 52 ASN HB2 2.462 . 3.220 2.531 2.410 3.016 . 0 0 "[ . 1]" 1
706 1 52 ASN HA 1 52 ASN HB3 2.469 . 3.231 2.735 2.347 3.033 . 0 0 "[ . 1]" 1
707 1 52 ASN HA 1 52 ASN QD 3.767 . 5.541 3.702 2.810 4.310 . 0 0 "[ . 1]" 1
708 1 52 ASN HA 1 53 MET H 2.581 . 3.414 2.574 2.410 2.651 . 0 0 "[ . 1]" 1
709 1 52 ASN HB2 1 52 ASN QD 3.273 . 4.204 2.567 2.154 3.271 . 0 0 "[ . 1]" 1
710 1 52 ASN HB2 1 54 ASP H 3.115 . 4.328 3.762 3.068 4.382 0.054 8 0 "[ . 1]" 1
711 1 52 ASN HB3 1 53 MET H 2.389 . 3.103 3.003 2.072 3.359 0.256 1 0 "[ . 1]" 1
712 1 52 ASN QD 1 53 MET H 2.628 . 3.491 3.201 2.742 3.433 . 0 0 "[ . 1]" 1
713 1 52 ASN QD 1 54 ASP H 3.608 . 5.236 3.203 2.676 4.709 . 0 0 "[ . 1]" 1
714 1 53 MET H 1 53 MET HA 2.609 . 3.460 2.674 2.646 2.725 . 0 0 "[ . 1]" 1
715 1 53 MET H 1 53 MET HB2 2.786 . 3.756 2.480 2.377 2.653 . 0 0 "[ . 1]" 1
716 1 53 MET H 1 53 MET HB3 2.551 . 3.364 2.543 2.432 2.629 . 0 0 "[ . 1]" 1
717 1 53 MET H 1 53 MET HG3 3.103 . 4.306 4.411 4.374 4.470 0.164 10 0 "[ . 1]" 1
718 1 53 MET H 1 54 ASP QB 3.421 . 4.884 4.092 3.981 4.199 . 0 0 "[ . 1]" 1
719 1 53 MET HA 1 53 MET HG3 2.106 . 2.660 2.619 2.504 2.779 0.119 1 0 "[ . 1]" 1
720 1 53 MET HB2 1 53 MET ME 2.606 . 3.455 2.012 1.950 2.090 . 0 0 "[ . 1]" 1
721 1 53 MET HB2 1 53 MET HG2 2.615 . 3.470 2.876 2.550 3.008 . 0 0 "[ . 1]" 1
722 1 53 MET HB2 1 54 ASP H 3.141 . 4.374 3.906 3.769 3.990 . 0 0 "[ . 1]" 1
723 1 53 MET HB3 1 53 MET HG2 2.178 . 2.771 2.389 2.276 2.492 . 0 0 "[ . 1]" 1
724 1 53 MET HB3 1 54 ASP H 2.572 . 3.399 2.669 2.485 2.808 . 0 0 "[ . 1]" 1
725 1 53 MET HG3 1 56 TRP HD1 3.558 . 5.140 3.480 2.761 4.328 . 0 0 "[ . 1]" 1
726 1 53 MET HG3 1 57 LEU H 3.470 . 4.975 4.331 3.828 4.680 . 0 0 "[ . 1]" 1
727 1 53 MET HG3 1 57 LEU QD 2.479 . 3.247 2.755 2.109 3.165 . 0 0 "[ . 1]" 1
728 1 54 ASP H 1 54 ASP QB 2.327 . 3.004 2.322 2.246 2.499 . 0 0 "[ . 1]" 1
729 1 54 ASP H 1 55 TYR H 2.396 . 3.114 2.817 2.718 2.885 . 0 0 "[ . 1]" 1
730 1 54 ASP HA 1 54 ASP QB 1.962 . 2.443 2.381 2.324 2.456 0.013 5 0 "[ . 1]" 1
731 1 54 ASP HA 1 55 TYR H 2.950 . 4.038 3.566 3.540 3.589 . 0 0 "[ . 1]" 1
732 1 54 ASP HA 1 57 LEU H 3.043 . 4.200 3.726 3.393 3.940 . 0 0 "[ . 1]" 1
733 1 54 ASP QB 1 57 LEU H 3.309 . 4.678 4.444 4.338 4.548 . 0 0 "[ . 1]" 1
734 1 55 TYR H 1 55 TYR QD 3.205 . 4.489 4.212 4.168 4.247 . 0 0 "[ . 1]" 1
735 1 55 TYR HA 1 55 TYR HB2 2.285 . 2.938 2.529 2.495 2.579 . 0 0 "[ . 1]" 1
736 1 55 TYR HA 1 55 TYR HB3 2.461 . 3.218 3.021 3.013 3.030 . 0 0 "[ . 1]" 1
737 1 55 TYR HB3 1 55 TYR QD 3.498 . 5.027 2.345 2.316 2.380 . 0 0 "[ . 1]" 1
738 1 55 TYR HB3 1 55 TYR QE 3.103 . 4.306 4.398 4.391 4.408 0.102 10 0 "[ . 1]" 1
739 1 55 TYR HB3 1 58 ASN H 3.723 . 5.456 5.465 5.125 5.619 0.163 10 0 "[ . 1]" 1
740 1 55 TYR QD 1 56 TRP H 3.230 . 4.534 3.945 3.648 4.159 . 0 0 "[ . 1]" 1
741 1 55 TYR QD 1 59 PHE HB2 2.600 . 3.445 3.428 3.264 3.498 0.053 1 0 "[ . 1]" 1
742 1 55 TYR QD 1 59 PHE QD 3.229 . 4.532 4.190 3.891 4.442 . 0 0 "[ . 1]" 1
743 1 55 TYR QE 1 59 PHE QD 2.655 . 3.536 2.436 2.118 2.703 . 0 0 "[ . 1]" 1
744 1 55 TYR QE 1 59 PHE QE 2.981 . 4.092 3.200 2.503 3.704 . 0 0 "[ . 1]" 1
745 1 55 TYR QE 1 59 PHE QD 2.960 . 4.055 2.701 2.284 3.184 . 0 0 "[ . 1]" 1
746 1 56 TRP H 1 56 TRP HB2 2.149 . 2.726 2.584 2.553 2.644 . 0 0 "[ . 1]" 1
747 1 56 TRP H 1 56 TRP HD1 3.511 . 5.052 4.977 4.955 5.022 . 0 0 "[ . 1]" 1
748 1 56 TRP H 1 56 TRP HE3 3.199 . 4.478 4.587 4.562 4.618 0.140 3 0 "[ . 1]" 1
749 1 56 TRP H 1 57 LEU H 2.837 . 3.843 2.798 2.735 2.846 . 0 0 "[ . 1]" 1
750 1 56 TRP HA 1 59 PHE H 3.304 . 4.668 3.715 3.525 3.890 . 0 0 "[ . 1]" 1
751 1 56 TRP HA 1 59 PHE HB2 2.956 . 4.048 3.771 3.258 4.080 0.032 2 0 "[ . 1]" 1
752 1 56 TRP HA 1 60 ALA H 3.545 . 5.116 4.024 3.767 4.192 . 0 0 "[ . 1]" 1
753 1 56 TRP HB2 1 56 TRP HE3 3.045 . 4.204 3.219 3.063 3.319 . 0 0 "[ . 1]" 1
754 1 56 TRP HB2 1 57 LEU H 2.793 . 3.768 3.840 3.824 3.850 0.082 1 0 "[ . 1]" 1
755 1 56 TRP HB3 1 56 TRP HD1 2.108 . 2.663 2.567 2.552 2.579 . 0 0 "[ . 1]" 1
756 1 56 TRP HB3 1 58 ASN H 3.536 . 5.099 4.974 4.903 5.089 . 0 0 "[ . 1]" 1
757 1 56 TRP HD1 1 57 LEU H 3.386 . 4.819 4.131 3.958 4.299 . 0 0 "[ . 1]" 1
758 1 56 TRP HD1 1 57 LEU QD . . 3.787 3.107 2.816 3.646 . 0 0 "[ . 1]" 1
759 1 56 TRP HD1 1 60 ALA MB 4.347 . 6.709 5.296 4.901 5.709 . 0 0 "[ . 1]" 1
760 1 56 TRP HE1 1 57 LEU QD 3.309 . 4.678 4.038 3.918 4.478 . 0 0 "[ . 1]" 1
761 1 56 TRP HE3 1 59 PHE QD 2.845 . 3.857 3.538 2.787 3.885 0.028 2 0 "[ . 1]" 1
762 1 56 TRP HE3 1 60 ALA H 5.176 . 8.525 4.270 3.850 4.686 . 0 0 "[ . 1]" 1
763 1 56 TRP HE3 1 60 ALA MB 3.688 . 5.388 3.955 3.547 4.395 . 0 0 "[ . 1]" 1
764 1 56 TRP HZ3 1 59 PHE QD 3.002 . 4.128 2.937 2.242 3.378 . 0 0 "[ . 1]" 1
765 1 56 TRP HZ3 1 59 PHE QE 3.040 . 4.195 3.459 2.542 4.246 0.051 5 0 "[ . 1]" 1
766 1 56 TRP HZ3 1 60 ALA MB 4.044 . 6.088 3.825 3.281 4.379 . 0 0 "[ . 1]" 1
767 1 57 LEU H 1 57 LEU HA 2.719 . 3.643 2.813 2.768 2.830 . 0 0 "[ . 1]" 1
768 1 57 LEU H 1 57 LEU HB2 2.792 . 3.767 2.559 1.971 2.660 . 0 0 "[ . 1]" 1
769 1 57 LEU H 1 57 LEU HB2 2.254 . 2.889 1.940 1.890 1.969 . 0 0 "[ . 1]" 1
770 1 57 LEU H 1 57 LEU HB3 2.822 . 3.817 3.506 2.754 3.593 . 0 0 "[ . 1]" 1
771 1 57 LEU H 1 57 LEU QD 3.092 . 3.503 2.931 2.823 3.266 . 0 0 "[ . 1]" 1
772 1 57 LEU H 1 58 ASN H 2.923 . 3.991 2.684 2.626 2.775 . 0 0 "[ . 1]" 1
773 1 57 LEU HA 1 57 LEU HB2 2.414 . 3.143 2.721 2.453 2.766 . 0 0 "[ . 1]" 1
774 1 57 LEU HA 1 57 LEU HB3 2.604 . 3.452 2.472 2.401 2.973 . 0 0 "[ . 1]" 1
775 1 57 LEU HA 1 57 LEU QD 2.132 . 2.700 2.130 1.872 2.189 . 0 0 "[ . 1]" 1
776 1 57 LEU HA 1 58 ASN H 3.375 . 4.799 3.516 3.502 3.528 . 0 0 "[ . 1]" 1
777 1 57 LEU HA 1 60 ALA H 3.486 . 5.005 3.623 3.481 3.749 . 0 0 "[ . 1]" 1
778 1 57 LEU HA 1 60 ALA MB 2.731 . 3.664 2.786 2.438 3.073 . 0 0 "[ . 1]" 1
779 1 57 LEU HB3 1 57 LEU QD 2.580 . 3.412 2.125 2.089 2.285 . 0 0 "[ . 1]" 1
780 1 57 LEU HB3 1 58 ASN H 3.190 . 4.462 3.424 2.154 3.619 . 0 0 "[ . 1]" 1
781 1 57 LEU QD 1 58 ASN H 3.502 . 5.035 3.859 3.801 3.903 . 0 0 "[ . 1]" 1
782 1 57 LEU HG 1 58 ASN H 2.847 . 3.860 3.976 3.916 4.065 0.205 10 0 "[ . 1]" 1
783 1 58 ASN H 1 58 ASN HA 2.767 . 3.724 2.807 2.760 2.831 . 0 0 "[ . 1]" 1
784 1 58 ASN H 1 58 ASN HB2 2.363 . 3.061 2.506 2.371 2.662 . 0 0 "[ . 1]" 1
785 1 58 ASN H 1 59 PHE H 2.532 . 3.334 2.683 2.589 2.874 . 0 0 "[ . 1]" 1
786 1 58 ASN H 1 60 ALA H 2.898 . 3.948 4.070 3.982 4.106 0.158 9 0 "[ . 1]" 1
787 1 58 ASN H 1 61 LYS HG2 3.112 . 4.322 4.487 4.192 4.789 0.467 5 0 "[ . 1]" 1
788 1 58 ASN H 1 61 LYS HG3 3.317 . 4.693 4.575 4.177 4.898 0.205 9 0 "[ . 1]" 1
789 1 58 ASN HA 1 58 ASN HB2 2.182 . 2.777 2.475 2.420 2.545 . 0 0 "[ . 1]" 1
790 1 58 ASN HA 1 61 LYS HG2 1.805 . 2.212 2.405 2.130 2.837 0.625 4 1 "[ +. 1]" 1
791 1 58 ASN HB3 1 58 ASN HD21 2.827 . 3.826 3.254 2.913 3.483 . 0 0 "[ . 1]" 1
792 1 58 ASN HB3 1 58 ASN HD22 2.977 . 4.085 3.946 3.782 4.063 . 0 0 "[ . 1]" 1
793 1 59 PHE H 1 59 PHE HA 2.406 . 3.130 2.807 2.799 2.813 . 0 0 "[ . 1]" 1
794 1 59 PHE H 1 59 PHE HB2 2.311 . 2.979 2.558 2.426 2.626 . 0 0 "[ . 1]" 1
795 1 59 PHE H 1 59 PHE HB3 2.491 . 3.267 2.449 2.317 2.556 . 0 0 "[ . 1]" 1
796 1 59 PHE H 1 60 ALA H 2.877 . 3.911 2.652 2.628 2.679 . 0 0 "[ . 1]" 1
797 1 59 PHE H 1 60 ALA MB 3.444 . 4.926 4.340 4.298 4.378 . 0 0 "[ . 1]" 1
798 1 59 PHE HA 1 59 PHE HB2 2.884 . 3.924 2.438 2.387 2.502 . 0 0 "[ . 1]" 1
799 1 59 PHE HA 1 60 ALA H 3.341 . 4.736 3.529 3.514 3.546 . 0 0 "[ . 1]" 1
800 1 59 PHE HA 1 62 LYS HB2 2.733 . 3.666 3.482 3.238 3.689 0.023 5 0 "[ . 1]" 1
801 1 59 PHE HA 1 62 LYS QZ 2.459 . 3.215 2.819 1.917 3.243 0.028 1 0 "[ . 1]" 1
802 1 59 PHE HB2 1 59 PHE QD 2.801 . 3.782 2.317 2.267 2.356 . 0 0 "[ . 1]" 1
803 1 59 PHE HB2 1 60 ALA H 2.845 . 3.857 3.861 3.765 3.913 0.056 1 0 "[ . 1]" 1
804 1 59 PHE HB2 1 62 LYS QZ 2.778 . 3.742 3.760 3.368 3.899 0.157 1 0 "[ . 1]" 1
805 1 59 PHE HB3 1 59 PHE QD 2.698 . 3.608 2.465 2.409 2.553 . 0 0 "[ . 1]" 1
806 1 59 PHE QD 1 60 ALA H 3.160 . 4.408 3.175 2.886 3.384 . 0 0 "[ . 1]" 1
807 1 59 PHE QD 1 60 ALA MB 3.176 . 4.437 3.336 2.902 3.596 . 0 0 "[ . 1]" 1
808 1 59 PHE QD 1 63 HIS QB 3.341 . 4.736 4.355 3.437 4.805 0.069 5 0 "[ . 1]" 1
809 1 59 PHE QD 1 63 HIS HD2 4.031 . 6.062 3.850 3.600 4.127 . 0 0 "[ . 1]" 1
810 1 59 PHE QE 1 63 HIS HE1 3.373 . 4.795 3.649 2.982 4.874 0.079 10 0 "[ . 1]" 1
811 1 60 ALA H 1 60 ALA HA 2.644 . 3.518 2.840 2.810 2.854 . 0 0 "[ . 1]" 1
812 1 60 ALA H 1 60 ALA MB 2.440 . 3.184 2.236 2.220 2.247 . 0 0 "[ . 1]" 1
813 1 60 ALA H 1 61 LYS H 2.774 . 3.736 2.606 2.539 2.660 . 0 0 "[ . 1]" 1
814 1 60 ALA H 1 61 LYS HA 3.876 . 5.754 5.225 5.190 5.289 . 0 0 "[ . 1]" 1
815 1 60 ALA HA 1 60 ALA MB 2.162 . 2.746 2.125 2.122 2.128 . 0 0 "[ . 1]" 1
816 1 60 ALA HA 1 61 LYS H 3.288 . 4.639 3.530 3.500 3.550 . 0 0 "[ . 1]" 1
817 1 60 ALA HA 1 64 TYR QE 3.036 . 4.188 4.209 3.134 4.711 0.523 1 2 "[+ . - 1]" 1
818 1 60 ALA HA 1 62 LYS H 3.164 . 4.415 4.101 3.966 4.364 . 0 0 "[ . 1]" 1
819 1 60 ALA MB 1 61 LYS H 2.742 . 3.682 2.539 2.440 2.841 . 0 0 "[ . 1]" 1
820 1 60 ALA MB 1 63 HIS H 3.785 . 5.576 4.661 4.357 5.031 . 0 0 "[ . 1]" 1
821 1 60 ALA MB 1 64 TYR H 3.709 . 5.429 5.012 4.355 5.294 . 0 0 "[ . 1]" 1
822 1 61 LYS H 1 61 LYS HA 2.691 . 3.596 2.830 2.815 2.855 . 0 0 "[ . 1]" 1
823 1 61 LYS H 1 61 LYS HG2 2.507 . 3.293 2.650 1.900 3.326 0.033 5 0 "[ . 1]" 1
824 1 61 LYS H 1 63 HIS HD2 3.788 . 5.582 5.248 4.361 5.649 0.067 1 0 "[ . 1]" 1
825 1 61 LYS H 1 64 TYR H 3.527 . 5.082 4.971 4.494 5.212 0.130 10 0 "[ . 1]" 1
826 1 61 LYS HA 1 61 LYS QB 1.935 . 2.403 2.234 2.128 2.348 . 0 0 "[ . 1]" 1
827 1 61 LYS HA 1 61 LYS QD 2.580 . 3.412 2.977 2.086 3.688 0.276 5 0 "[ . 1]" 1
828 1 61 LYS HA 1 61 LYS HG2 2.778 . 3.743 3.571 2.834 4.151 0.408 3 0 "[ . 1]" 1
829 1 61 LYS HA 1 61 LYS HG3 2.722 . 3.648 3.691 3.552 3.846 0.198 4 0 "[ . 1]" 1
830 1 61 LYS HA 1 64 TYR QD 2.775 . 3.738 2.971 1.867 3.645 . 0 0 "[ . 1]" 1
831 1 61 LYS HA 1 64 TYR QE 2.416 . 3.145 2.960 2.185 3.382 0.237 7 0 "[ . 1]" 1
832 1 61 LYS QB 1 61 LYS QD 2.344 . 3.031 2.409 2.176 2.716 . 0 0 "[ . 1]" 1
833 1 61 LYS QB 1 61 LYS HG3 2.383 . 3.093 2.301 2.114 2.487 . 0 0 "[ . 1]" 1
834 1 61 LYS QB 1 61 LYS QZ 2.419 . 3.150 2.637 1.769 3.243 0.093 4 0 "[ . 1]" 1
835 1 61 LYS QB 1 66 TYR QD 3.760 . 5.527 4.160 2.995 5.462 . 0 0 "[ . 1]" 1
836 1 61 LYS HG2 1 62 LYS H 3.137 . 4.367 4.131 4.001 4.325 . 0 0 "[ . 1]" 1
837 1 61 LYS HG3 1 64 TYR H 3.622 . 5.262 4.693 4.486 4.907 . 0 0 "[ . 1]" 1
838 1 62 LYS H 1 62 LYS HA 2.417 . 3.147 2.846 2.803 2.872 . 0 0 "[ . 1]" 1
839 1 62 LYS H 1 62 LYS HB2 2.502 . 3.285 2.600 2.517 2.674 . 0 0 "[ . 1]" 1
840 1 62 LYS H 1 62 LYS HB3 2.445 . 3.192 2.397 2.304 2.483 . 0 0 "[ . 1]" 1
841 1 62 LYS H 1 62 LYS HG2 3.412 . 4.868 4.384 4.316 4.437 . 0 0 "[ . 1]" 1
842 1 62 LYS H 1 62 LYS HG3 3.242 . 4.556 4.493 4.467 4.527 . 0 0 "[ . 1]" 1
843 1 62 LYS H 1 63 HIS H 2.478 . 3.245 2.535 2.474 2.745 . 0 0 "[ . 1]" 1
844 1 62 LYS H 1 64 TYR H 3.877 . 5.756 3.917 3.616 4.063 . 0 0 "[ . 1]" 1
845 1 62 LYS HA 1 62 LYS HB2 2.452 . 3.203 2.434 2.393 2.463 . 0 0 "[ . 1]" 1
846 1 62 LYS HA 1 62 LYS HB3 2.408 . 3.133 3.018 3.011 3.026 . 0 0 "[ . 1]" 1
847 1 62 LYS HA 1 62 LYS HG3 2.691 . 3.596 2.645 2.503 2.795 . 0 0 "[ . 1]" 1
848 1 62 LYS HA 1 64 TYR H 2.959 . 4.053 4.153 3.972 4.233 0.180 10 0 "[ . 1]" 1
849 1 62 LYS HB2 1 62 LYS HG2 2.786 . 3.756 3.005 2.998 3.009 . 0 0 "[ . 1]" 1
850 1 62 LYS HB2 1 62 LYS HG3 2.878 . 3.914 2.449 2.377 2.541 . 0 0 "[ . 1]" 1
851 1 62 LYS HB3 1 62 LYS HG3 2.691 . 3.596 3.008 3.003 3.015 . 0 0 "[ . 1]" 1
852 1 62 LYS HB3 1 63 HIS H 2.690 . 3.594 2.675 2.387 3.060 . 0 0 "[ . 1]" 1
853 1 62 LYS HB3 1 63 HIS HD2 3.366 . 4.783 3.337 2.380 4.944 0.161 10 0 "[ . 1]" 1
854 1 62 LYS HG2 1 63 HIS H 3.287 . 4.638 3.757 3.356 4.133 . 0 0 "[ . 1]" 1
855 1 62 LYS HG2 1 64 TYR H 3.774 . 5.554 5.422 5.048 5.622 0.068 5 0 "[ . 1]" 1
856 1 63 HIS H 1 63 HIS HA 2.940 . 4.020 2.853 2.814 2.876 . 0 0 "[ . 1]" 1
857 1 63 HIS H 1 63 HIS QB 2.707 . 3.623 2.256 2.167 2.375 . 0 0 "[ . 1]" 1
858 1 63 HIS H 1 63 HIS HD2 3.826 . 5.656 2.641 2.346 2.804 . 0 0 "[ . 1]" 1
859 1 63 HIS H 1 64 TYR H 2.523 . 3.319 2.473 2.345 2.621 . 0 0 "[ . 1]" 1
860 1 63 HIS HA 1 63 HIS QB 2.418 . 3.149 2.360 2.152 2.467 . 0 0 "[ . 1]" 1
861 1 63 HIS HA 1 63 HIS HD2 4.529 . 7.093 3.660 3.124 4.540 . 0 0 "[ . 1]" 1
862 1 63 HIS HA 1 64 TYR H 3.276 . 4.618 3.453 3.395 3.487 . 0 0 "[ . 1]" 1
863 1 63 HIS QB 1 63 HIS HD2 3.535 . 5.097 2.958 2.829 3.037 . 0 0 "[ . 1]" 1
864 1 63 HIS QB 1 64 TYR H 2.451 . 3.202 3.101 2.819 3.529 0.327 9 0 "[ . 1]" 1
865 1 63 HIS HD2 1 64 TYR H 3.440 . 4.919 4.245 2.664 4.995 0.076 6 0 "[ . 1]" 1
866 1 64 TYR H 1 64 TYR QE 3.736 . 5.481 4.677 4.159 5.548 0.067 9 0 "[ . 1]" 1
867 1 64 TYR H 1 66 TYR QD 3.371 . 4.792 4.494 2.910 4.909 0.117 7 0 "[ . 1]" 1
868 1 64 TYR QB 1 64 TYR QD 2.505 . 3.289 2.158 2.123 2.224 . 0 0 "[ . 1]" 1
869 1 64 TYR QB 1 66 TYR H 3.097 . 4.296 3.881 3.275 4.351 0.055 4 0 "[ . 1]" 1
870 1 64 TYR QB 1 66 TYR QE 3.926 . 5.853 2.864 1.914 4.768 0.085 5 0 "[ . 1]" 1
871 1 64 TYR QD 1 65 ASN HA 3.462 . 4.960 4.458 3.539 5.430 0.470 8 0 "[ . 1]" 1
872 1 64 TYR QD 1 66 TYR QD 3.582 . 5.185 4.352 2.395 5.186 0.001 3 0 "[ . 1]" 1
873 1 65 ASN H 1 65 ASN HA 2.698 . 3.608 2.700 2.249 2.942 . 0 0 "[ . 1]" 1
874 1 65 ASN H 1 65 ASN HB2 2.713 . 3.633 2.840 2.362 3.384 . 0 0 "[ . 1]" 1
875 1 65 ASN H 1 65 ASN HB3 2.691 . 3.596 3.405 2.580 3.797 0.201 9 0 "[ . 1]" 1
876 1 65 ASN H 1 66 TYR H 3.722 . 5.453 2.846 1.979 4.040 0.012 1 0 "[ . 1]" 1
877 1 65 ASN H 1 66 TYR QD 3.025 . 4.169 3.452 2.170 4.189 0.020 5 0 "[ . 1]" 1
878 1 65 ASN HA 1 65 ASN HB3 2.420 . 3.152 2.823 2.469 3.032 . 0 0 "[ . 1]" 1
879 1 65 ASN HA 1 66 TYR H 2.166 . 2.753 2.689 2.212 3.063 0.310 8 0 "[ . 1]" 1
880 1 65 ASN HB3 1 66 TYR H 3.326 . 4.709 4.203 3.968 4.434 . 0 0 "[ . 1]" 1
881 1 66 TYR H 1 66 TYR QB 2.506 . 3.291 2.863 2.278 3.091 . 0 0 "[ . 1]" 1
882 1 66 TYR H 1 66 TYR QE 3.317 . 4.693 4.139 3.820 4.764 0.071 9 0 "[ . 1]" 1
883 1 66 TYR HA 1 66 TYR QB 2.482 . 3.252 2.252 2.168 2.467 . 0 0 "[ . 1]" 1
884 1 66 TYR QB 1 66 TYR QD 2.574 . 3.402 2.139 2.130 2.152 . 0 0 "[ . 1]" 1
885 1 67 GLU H 1 67 GLU HA 2.445 . 3.193 2.853 2.734 2.948 . 0 0 "[ . 1]" 1
886 1 67 GLU H 1 67 GLU HB2 2.615 . 3.470 2.559 2.451 2.742 . 0 0 "[ . 1]" 1
887 1 67 GLU H 1 67 GLU HG2 2.569 . 3.394 3.109 1.904 3.853 0.459 5 0 "[ . 1]" 1
888 1 67 GLU H 1 67 GLU HG3 3.120 . 4.337 2.733 1.994 3.832 . 0 0 "[ . 1]" 1
889 1 67 GLU H 1 68 GLN H 2.802 . 3.783 2.666 1.933 4.146 0.363 9 0 "[ . 1]" 1
890 1 67 GLU HA 1 67 GLU HB3 2.038 . 2.557 2.436 2.377 2.481 . 0 0 "[ . 1]" 1
891 1 67 GLU HA 1 67 GLU HG2 2.646 . 3.521 2.883 2.484 3.657 0.136 7 0 "[ . 1]" 1
892 1 67 GLU HA 1 67 GLU HG3 2.746 . 3.688 3.251 2.547 3.793 0.105 3 0 "[ . 1]" 1
893 1 67 GLU HB2 1 67 GLU HG2 2.023 . 2.534 2.790 2.401 3.011 0.477 2 0 "[ . 1]" 1
894 1 67 GLU HB2 1 68 GLN H 2.560 . 3.379 2.695 2.020 3.513 0.134 6 0 "[ . 1]" 1
895 1 68 GLN H 1 69 PRO HD2 3.200 . 4.480 4.200 3.277 4.962 0.482 2 0 "[ . 1]" 1
896 1 68 GLN HA 1 68 GLN HB2 2.636 . 3.504 2.674 2.420 3.024 . 0 0 "[ . 1]" 1
897 1 68 GLN HA 1 68 GLN HB3 2.624 . 3.485 2.796 2.371 3.028 . 0 0 "[ . 1]" 1
898 1 68 GLN HA 1 69 PRO HD2 2.251 . 2.884 2.272 1.956 2.552 . 0 0 "[ . 1]" 1
899 1 68 GLN HA 1 69 PRO HD3 2.060 . 2.590 2.458 2.141 2.766 0.176 3 0 "[ . 1]" 1
900 1 68 GLN HB2 1 68 GLN QG 2.205 . 2.813 2.269 2.156 2.370 . 0 0 "[ . 1]" 1
901 1 68 GLN HB3 1 68 GLN QG 2.168 . 2.755 2.294 2.163 2.390 . 0 0 "[ . 1]" 1
902 1 69 PRO HA 1 70 PHE H 2.313 . 2.982 2.280 2.138 2.682 . 0 0 "[ . 1]" 1
903 1 69 PRO HB3 1 69 PRO QG 1.959 . 2.439 2.222 2.182 2.251 . 0 0 "[ . 1]" 1
904 1 69 PRO HD2 1 69 PRO QG 2.137 . 2.708 2.198 2.176 2.251 . 0 0 "[ . 1]" 1
905 1 70 PHE H 1 70 PHE HA 2.269 . 2.913 2.423 2.166 2.600 . 0 0 "[ . 1]" 1
906 1 70 PHE H 1 70 PHE HB2 2.691 . 3.596 3.064 2.391 3.667 0.071 5 0 "[ . 1]" 1
907 1 70 PHE H 1 70 PHE HB3 2.364 . 3.063 2.751 2.437 3.171 0.108 3 0 "[ . 1]" 1
908 1 70 PHE H 1 71 LYS H 3.214 . 4.505 2.679 2.098 3.130 . 0 0 "[ . 1]" 1
909 1 70 PHE HA 1 70 PHE HB2 2.548 . 3.360 2.825 2.461 3.030 . 0 0 "[ . 1]" 1
910 1 70 PHE HA 1 70 PHE QB 2.374 . 3.078 2.284 2.163 2.407 . 0 0 "[ . 1]" 1
911 1 70 PHE HA 1 70 PHE HB3 1.943 . 2.415 2.172 2.096 2.223 . 0 0 "[ . 1]" 1
912 1 70 PHE HA 1 71 LYS H 2.550 . 3.363 2.738 2.327 3.504 0.141 3 0 "[ . 1]" 1
913 1 70 PHE HA 1 72 HIS HE1 2.544 . 3.353 3.039 2.123 3.395 0.042 1 0 "[ . 1]" 1
914 1 70 PHE HB3 1 71 LYS H 3.360 . 4.771 4.251 3.298 4.599 . 0 0 "[ . 1]" 1
915 1 70 PHE HB3 1 72 HIS HE1 2.436 . 3.177 3.101 2.365 3.863 0.686 8 1 "[ . + 1]" 1
916 1 71 LYS H 1 71 LYS HB2 2.830 . 3.831 2.671 2.269 3.619 . 0 0 "[ . 1]" 1
917 1 71 LYS H 1 71 LYS HG2 3.436 . 4.911 4.040 2.378 5.226 0.315 9 0 "[ . 1]" 1
918 1 71 LYS HA 1 71 LYS HD3 2.838 . 3.845 2.979 1.999 4.630 0.785 5 1 "[ + 1]" 1
919 1 71 LYS QB 1 71 LYS HG2 2.189 . 2.788 2.243 2.157 2.364 . 0 0 "[ . 1]" 1
920 1 71 LYS HD3 1 71 LYS QE 2.174 . 2.765 2.287 2.170 2.385 . 0 0 "[ . 1]" 1
921 1 71 LYS QE 1 74 ASN QD 2.937 . 4.015 3.216 1.869 3.891 . 0 0 "[ . 1]" 1
922 1 73 ILE H 1 73 ILE HB 3.182 . 4.448 3.131 2.446 3.924 . 0 0 "[ . 1]" 1
923 1 73 ILE H 1 73 ILE HG13 3.517 . 5.063 3.625 1.785 4.817 0.186 4 0 "[ . 1]" 1
924 1 73 ILE H 1 73 ILE MG 3.857 . 5.716 3.134 1.999 4.035 . 0 0 "[ . 1]" 1
925 1 73 ILE HA 1 73 ILE MG 2.854 . 3.873 2.781 2.220 3.234 . 0 0 "[ . 1]" 1
926 1 73 ILE HA 1 74 ASN H 2.662 . 3.547 2.941 2.235 3.516 . 0 0 "[ . 1]" 1
927 1 73 ILE HB 1 74 ASN H 3.571 . 5.165 3.972 2.489 4.636 . 0 0 "[ . 1]" 1
928 1 73 ILE MD 1 73 ILE HG12 2.199 . 2.803 2.117 2.116 2.121 . 0 0 "[ . 1]" 1
929 1 73 ILE HG12 1 73 ILE MG 3.060 . 4.230 2.433 2.197 3.205 . 0 0 "[ . 1]" 1
930 1 73 ILE MG 1 74 ASN H 3.485 . 5.003 3.409 2.035 4.254 . 0 0 "[ . 1]" 1
931 1 74 ASN H 1 74 ASN HA 2.739 . 3.677 2.831 2.258 2.933 . 0 0 "[ . 1]" 1
932 1 74 ASN H 1 74 ASN HB3 3.215 . 4.507 3.183 2.498 4.091 . 0 0 "[ . 1]" 1
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