NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
409036 |
1z99   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1z99
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 469
_Distance_constraint_stats_list.Viol_count 1683
_Distance_constraint_stats_list.Viol_total 3019.739
_Distance_constraint_stats_list.Viol_max 0.956
_Distance_constraint_stats_list.Viol_rms 0.0537
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0897
_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 TYR 2.363 0.099 10 0 "[ . 1 . 2]"
1 2 LYS 0.875 0.089 7 0 "[ . 1 . 2]"
1 3 GLN 7.568 0.695 18 4 "[ -* 1 .* + 2]"
1 4 CYS 1.307 0.090 15 0 "[ . 1 . 2]"
1 5 HIS 2.729 0.099 10 0 "[ . 1 . 2]"
1 6 LYS 7.079 0.695 18 3 "[ .* 1 .- + 2]"
1 7 LYS 12.419 0.876 6 1 "[ .+ 1 . 2]"
1 8 GLY 3.332 0.922 19 2 "[ - . 1 . +2]"
1 9 GLY 8.324 0.831 19 3 "[ -. *1 . +2]"
1 10 HIS 4.272 0.095 20 0 "[ . 1 . 2]"
1 11 CYS 2.320 0.093 9 0 "[ . 1 . 2]"
1 12 PHE 9.249 0.558 19 1 "[ . 1 . +2]"
1 13 PRO 9.675 0.520 10 2 "[ . - + . 2]"
1 14 LYS 9.104 0.105 16 0 "[ . 1 . 2]"
1 15 GLU 13.323 0.572 12 4 "[ . -* * + . 2]"
1 16 LYS 8.887 0.572 12 1 "[ . 1 + . 2]"
1 17 ILE 6.550 0.137 16 0 "[ . 1 . 2]"
1 18 CYS 5.410 0.956 17 1 "[ . 1 . + 2]"
1 19 LEU 8.834 0.549 19 1 "[ . 1 . +2]"
1 20 PRO 6.922 0.437 2 0 "[ . 1 . 2]"
1 21 PRO 7.855 0.932 17 2 "[ . 1 . + -2]"
1 22 SER 3.834 0.217 2 0 "[ . 1 . 2]"
1 23 SER 6.636 0.113 3 0 "[ . 1 . 2]"
1 24 ASP 4.389 0.956 17 1 "[ . 1 . + 2]"
1 25 PHE 11.972 0.876 6 1 "[ .+ 1 . 2]"
1 26 GLY 4.981 0.450 1 0 "[ . 1 . 2]"
1 27 LYS 11.293 0.551 4 4 "[- +. 1 .* * 2]"
1 28 MET 12.092 0.602 11 1 "[ . 1+ . 2]"
1 29 ASP 8.246 0.444 10 0 "[ . 1 . 2]"
1 30 CYS 6.577 0.551 4 2 "[ +. 1 .- 2]"
1 31 ARG 4.131 0.104 16 0 "[ . 1 . 2]"
1 32 TRP 5.210 0.097 16 0 "[ . 1 . 2]"
1 33 ARG 3.959 0.465 8 0 "[ . 1 . 2]"
1 34 TRP 7.512 0.104 18 0 "[ . 1 . 2]"
1 35 LYS 5.270 0.104 18 0 "[ . 1 . 2]"
1 36 CYS 5.894 0.364 17 0 "[ . 1 . 2]"
1 37 CYS 6.745 0.831 19 3 "[ *. *1 . +2]"
1 38 LYS 8.184 0.922 19 2 "[ - . 1 . +2]"
1 39 LYS 3.465 0.951 1 2 "[+ . 1 -. 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 2.802 0.634 5 2 "[ + 1 - . 2]"
1 42 GLY 1.848 0.634 5 2 "[ + 1 - . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 TYR HA 1 1 TYR HB2 . . 2.820 2.392 2.221 2.545 . 0 0 "[ . 1 . 2]" 1
2 1 1 TYR HA 1 1 TYR HB3 . . 2.910 2.479 2.310 2.999 0.089 15 0 "[ . 1 . 2]" 1
3 1 1 TYR HA 1 1 TYR QD . . 4.190 3.728 2.863 3.817 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR HA 1 4 CYS H . . 4.180 3.997 3.504 4.270 0.090 15 0 "[ . 1 . 2]" 1
5 1 1 TYR HA 1 4 CYS QB . . 3.660 3.145 2.371 3.661 0.001 4 0 "[ . 1 . 2]" 1
6 1 1 TYR HB2 1 5 HIS HD2 . . 4.010 3.327 2.358 4.098 0.088 7 0 "[ . 1 . 2]" 1
7 1 1 TYR QD 1 2 LYS HA . . 3.500 2.974 2.410 3.567 0.067 15 0 "[ . 1 . 2]" 1
8 1 1 TYR QD 1 2 LYS QG . . 4.510 3.606 2.389 4.524 0.014 20 0 "[ . 1 . 2]" 1
9 1 1 TYR QD 1 5 HIS HB2 . . 4.180 3.394 2.617 4.016 . 0 0 "[ . 1 . 2]" 1
10 1 1 TYR QD 1 5 HIS HB3 . . 4.520 4.387 3.765 4.619 0.099 10 0 "[ . 1 . 2]" 1
11 1 1 TYR QD 1 5 HIS HD2 . . 5.500 4.067 2.552 5.174 . 0 0 "[ . 1 . 2]" 1
12 1 1 TYR QD 1 5 HIS HE1 . . 4.590 3.931 2.844 4.668 0.078 3 0 "[ . 1 . 2]" 1
13 1 1 TYR QE 1 2 LYS HA . . 4.110 3.806 3.308 4.194 0.084 5 0 "[ . 1 . 2]" 1
14 1 1 TYR QE 1 2 LYS QG . . 4.040 3.152 2.272 4.070 0.030 5 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 2 LYS QB . . 2.740 2.479 2.398 2.557 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 2 LYS QG . . 3.220 2.308 2.108 2.791 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 5 HIS H . . 3.930 3.578 3.127 4.010 0.080 15 0 "[ . 1 . 2]" 1
18 1 2 LYS HA 1 5 HIS HB2 . . 3.650 2.740 2.103 3.577 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS QB 1 3 GLN HA . . 4.110 3.941 3.514 4.199 0.089 7 0 "[ . 1 . 2]" 1
20 1 3 GLN HA 1 3 GLN QB . . 2.560 2.460 2.338 2.593 0.033 7 0 "[ . 1 . 2]" 1
21 1 3 GLN HA 1 3 GLN HG2 . . 3.810 3.087 2.266 3.712 . 0 0 "[ . 1 . 2]" 1
22 1 3 GLN HA 1 3 GLN HG3 . . 3.270 2.843 2.292 3.772 0.502 5 1 "[ + 1 . 2]" 1
23 1 3 GLN HA 1 4 CYS HA . . 4.970 4.858 4.718 5.033 0.063 1 0 "[ . 1 . 2]" 1
24 1 3 GLN HA 1 6 LYS H . . 3.610 3.486 3.203 3.691 0.081 11 0 "[ . 1 . 2]" 1
25 1 3 GLN HA 1 6 LYS QB . . 2.740 2.490 2.167 2.838 0.098 8 0 "[ . 1 . 2]" 1
26 1 3 GLN HA 1 6 LYS QD . . 4.330 3.478 2.067 4.417 0.087 5 0 "[ . 1 . 2]" 1
27 1 3 GLN HA 1 6 LYS QE . . 3.770 2.947 2.064 3.847 0.077 7 0 "[ . 1 . 2]" 1
28 1 3 GLN HA 1 6 LYS HG2 . . 5.500 4.657 3.894 5.409 . 0 0 "[ . 1 . 2]" 1
29 1 3 GLN HA 1 6 LYS HG3 . . 4.450 4.124 2.243 5.145 0.695 18 3 "[ .* 1 .- + 2]" 1
30 1 3 GLN QB 1 4 CYS H . . 3.190 2.702 2.450 3.175 . 0 0 "[ . 1 . 2]" 1
31 1 3 GLN QB 1 4 CYS QB . . 4.110 3.963 3.746 4.099 . 0 0 "[ . 1 . 2]" 1
32 1 3 GLN QB 1 29 ASP HA . . 4.200 3.881 2.898 4.304 0.104 10 0 "[ . 1 . 2]" 1
33 1 3 GLN QB 1 29 ASP HB2 . . 4.440 2.270 2.035 2.919 . 0 0 "[ . 1 . 2]" 1
34 1 4 CYS H 1 4 CYS QB . . 2.910 1.968 1.827 2.087 . 0 0 "[ . 1 . 2]" 1
35 1 4 CYS H 1 5 HIS H . . 3.700 2.649 2.223 2.982 . 0 0 "[ . 1 . 2]" 1
36 1 4 CYS H 1 29 ASP H . . 4.500 3.625 3.039 4.567 0.067 8 0 "[ . 1 . 2]" 1
37 1 4 CYS HA 1 7 LYS H . . 3.900 3.809 3.424 3.979 0.079 12 0 "[ . 1 . 2]" 1
38 1 4 CYS HA 1 7 LYS HB2 . . 4.470 4.205 3.262 4.554 0.084 7 0 "[ . 1 . 2]" 1
39 1 4 CYS HA 1 28 MET HB2 . . 4.030 2.403 2.060 3.271 . 0 0 "[ . 1 . 2]" 1
40 1 4 CYS HA 1 28 MET HB3 . . 3.370 2.498 2.104 2.992 . 0 0 "[ . 1 . 2]" 1
41 1 4 CYS HA 1 28 MET HG3 . . 3.990 2.574 2.009 3.987 . 0 0 "[ . 1 . 2]" 1
42 1 4 CYS QB 1 5 HIS H . . 3.180 2.577 2.256 3.054 . 0 0 "[ . 1 . 2]" 1
43 1 4 CYS QB 1 5 HIS HD2 . . 3.840 2.773 2.154 3.741 . 0 0 "[ . 1 . 2]" 1
44 1 4 CYS QB 1 28 MET HB2 . . 3.820 3.099 2.015 3.741 . 0 0 "[ . 1 . 2]" 1
45 1 4 CYS QB 1 28 MET HB3 . . 4.000 3.438 2.381 3.918 . 0 0 "[ . 1 . 2]" 1
46 1 4 CYS QB 1 29 ASP H . . 3.980 2.945 2.203 3.789 . 0 0 "[ . 1 . 2]" 1
47 1 5 HIS H 1 5 HIS HB2 . . 3.010 2.380 2.193 2.544 . 0 0 "[ . 1 . 2]" 1
48 1 5 HIS H 1 5 HIS HD2 . . 3.760 2.461 2.014 2.847 . 0 0 "[ . 1 . 2]" 1
49 1 5 HIS H 1 6 LYS H . . 3.340 2.730 2.451 2.939 . 0 0 "[ . 1 . 2]" 1
50 1 5 HIS HA 1 5 HIS HD2 . . 3.730 3.026 2.553 3.752 0.022 15 0 "[ . 1 . 2]" 1
51 1 5 HIS HA 1 7 LYS H . . 4.450 4.252 3.690 4.527 0.077 9 0 "[ . 1 . 2]" 1
52 1 5 HIS HA 1 8 GLY HA2 . . 4.400 3.745 2.924 4.468 0.068 10 0 "[ . 1 . 2]" 1
53 1 5 HIS HA 1 9 GLY H . . 3.720 3.135 2.520 3.764 0.044 11 0 "[ . 1 . 2]" 1
54 1 5 HIS HB2 1 6 LYS H . . 3.720 2.988 2.622 3.337 . 0 0 "[ . 1 . 2]" 1
55 1 5 HIS HD2 1 10 HIS HA . . 3.570 3.367 2.666 3.656 0.086 13 0 "[ . 1 . 2]" 1
56 1 6 LYS H 1 6 LYS QB . . 2.610 2.186 2.017 2.574 . 0 0 "[ . 1 . 2]" 1
57 1 6 LYS H 1 6 LYS HG2 . . 4.630 4.201 3.302 4.643 0.013 16 0 "[ . 1 . 2]" 1
58 1 6 LYS H 1 7 LYS H . . 3.230 3.061 2.663 3.265 0.035 7 0 "[ . 1 . 2]" 1
59 1 6 LYS HA 1 6 LYS QB . . 2.580 2.483 2.351 2.569 . 0 0 "[ . 1 . 2]" 1
60 1 6 LYS HA 1 6 LYS QD . . 3.650 3.572 2.487 3.770 0.120 9 0 "[ . 1 . 2]" 1
61 1 6 LYS HA 1 6 LYS HG2 . . 3.360 2.682 2.135 3.577 0.217 3 0 "[ . 1 . 2]" 1
62 1 6 LYS HA 1 6 LYS HG3 . . 3.510 2.621 2.063 3.350 . 0 0 "[ . 1 . 2]" 1
63 1 6 LYS HA 1 8 GLY H . . 4.010 3.810 3.552 4.083 0.073 9 0 "[ . 1 . 2]" 1
64 1 6 LYS QB 1 6 LYS QE . . 3.970 2.661 1.980 3.806 . 0 0 "[ . 1 . 2]" 1
65 1 6 LYS QB 1 7 LYS H . . 3.130 2.660 2.239 3.111 . 0 0 "[ . 1 . 2]" 1
66 1 6 LYS QB 1 7 LYS HA . . 4.220 4.063 3.751 4.316 0.096 19 0 "[ . 1 . 2]" 1
67 1 6 LYS QE 1 6 LYS HG2 . . 3.830 3.006 2.168 3.549 . 0 0 "[ . 1 . 2]" 1
68 1 7 LYS H 1 7 LYS HB2 . . 2.870 2.254 1.979 2.631 . 0 0 "[ . 1 . 2]" 1
69 1 7 LYS H 1 7 LYS HB3 . . 3.060 3.087 2.821 3.150 0.090 6 0 "[ . 1 . 2]" 1
70 1 7 LYS H 1 7 LYS QG . . 4.140 3.766 3.276 4.124 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS H 1 8 GLY H . . 3.050 2.751 2.428 3.068 0.018 1 0 "[ . 1 . 2]" 1
72 1 7 LYS H 1 9 GLY H . . 4.100 3.374 2.897 3.761 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS H 1 28 MET ME . . 4.690 4.357 3.316 4.799 0.109 16 0 "[ . 1 . 2]" 1
74 1 7 LYS HA 1 7 LYS HB2 . . 2.810 2.817 2.593 2.898 0.088 6 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 7 LYS HB3 . . 2.910 2.907 2.800 2.982 0.072 5 0 "[ . 1 . 2]" 1
76 1 7 LYS HA 1 7 LYS HD2 . . 4.100 3.800 2.468 4.188 0.088 8 0 "[ . 1 . 2]" 1
77 1 7 LYS HA 1 7 LYS HD3 . . 4.280 4.036 3.057 4.353 0.073 5 0 "[ . 1 . 2]" 1
78 1 7 LYS HA 1 7 LYS QG . . 3.210 2.126 1.980 2.390 . 0 0 "[ . 1 . 2]" 1
79 1 7 LYS HB2 1 7 LYS QE . . 3.980 3.470 2.495 3.931 . 0 0 "[ . 1 . 2]" 1
80 1 7 LYS HB2 1 9 GLY H . . 4.060 4.111 3.978 4.151 0.091 14 0 "[ . 1 . 2]" 1
81 1 7 LYS HB2 1 25 PHE QD . . 4.720 4.662 4.249 4.820 0.100 11 0 "[ . 1 . 2]" 1
82 1 7 LYS HB2 1 25 PHE QE . . 3.930 3.860 3.431 4.023 0.093 18 0 "[ . 1 . 2]" 1
83 1 7 LYS HB3 1 8 GLY H . . 4.430 3.977 3.725 4.214 . 0 0 "[ . 1 . 2]" 1
84 1 7 LYS HB3 1 9 GLY H . . 4.250 3.339 2.713 3.824 . 0 0 "[ . 1 . 2]" 1
85 1 7 LYS HB3 1 25 PHE QD . . 4.140 3.873 3.585 4.218 0.078 10 0 "[ . 1 . 2]" 1
86 1 7 LYS HB3 1 25 PHE QE . . 3.610 2.604 2.123 3.005 . 0 0 "[ . 1 . 2]" 1
87 1 7 LYS HD2 1 28 MET ME . . 3.630 3.442 2.328 3.741 0.111 19 0 "[ . 1 . 2]" 1
88 1 7 LYS HD3 1 25 PHE HB3 . . 4.580 4.579 3.846 5.456 0.876 6 1 "[ .+ 1 . 2]" 1
89 1 7 LYS HD3 1 25 PHE QD . . 4.370 3.739 3.341 4.417 0.047 14 0 "[ . 1 . 2]" 1
90 1 7 LYS HD3 1 25 PHE QE . . 4.790 4.164 3.490 4.863 0.073 17 0 "[ . 1 . 2]" 1
91 1 7 LYS QE 1 25 PHE HB2 . . 3.950 3.162 2.455 3.934 . 0 0 "[ . 1 . 2]" 1
92 1 7 LYS QE 1 25 PHE QD . . 4.490 2.626 1.981 3.381 . 0 0 "[ . 1 . 2]" 1
93 1 7 LYS QG 1 25 PHE QD . . 4.090 3.735 2.584 4.208 0.118 3 0 "[ . 1 . 2]" 1
94 1 7 LYS QG 1 25 PHE QE . . 4.030 3.507 2.425 4.143 0.113 4 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 8 GLY HA2 . . 2.930 2.316 2.233 2.396 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLY H 1 9 GLY H . . 2.710 2.578 2.319 2.783 0.073 19 0 "[ . 1 . 2]" 1
97 1 8 GLY HA2 1 38 LYS HA . . 4.110 4.257 4.144 5.032 0.922 19 2 "[ - . 1 . +2]" 1
98 1 9 GLY H 1 25 PHE QE . . 4.390 3.998 3.492 4.429 0.039 20 0 "[ . 1 . 2]" 1
99 1 9 GLY HA2 1 10 HIS H . . 3.260 2.259 2.105 2.560 . 0 0 "[ . 1 . 2]" 1
100 1 9 GLY HA2 1 12 PHE QE . . 4.320 4.353 3.903 4.440 0.120 9 0 "[ . 1 . 2]" 1
101 1 9 GLY HA2 1 25 PHE QE . . 4.410 4.272 3.690 4.514 0.104 9 0 "[ . 1 . 2]" 1
102 1 9 GLY HA2 1 37 CYS H . . 3.670 3.062 2.333 3.738 0.068 16 0 "[ . 1 . 2]" 1
103 1 9 GLY HA2 1 37 CYS HB3 . . 4.820 5.008 4.885 5.651 0.831 19 3 "[ -. *1 . +2]" 1
104 1 9 GLY HA2 1 38 LYS HA . . 3.150 2.614 2.015 3.038 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLY HA3 1 10 HIS H . . 3.380 2.989 2.529 3.353 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLY HA3 1 25 PHE QE . . 4.130 3.522 2.962 4.141 0.011 10 0 "[ . 1 . 2]" 1
107 1 9 GLY HA3 1 37 CYS H . . 4.570 3.374 2.386 3.939 . 0 0 "[ . 1 . 2]" 1
108 1 9 GLY HA3 1 38 LYS HA . . 4.080 3.987 3.190 4.169 0.089 15 0 "[ . 1 . 2]" 1
109 1 10 HIS H 1 10 HIS HB2 . . 3.540 2.337 2.033 2.875 . 0 0 "[ . 1 . 2]" 1
110 1 10 HIS H 1 12 PHE QE . . 4.480 3.499 2.868 4.228 . 0 0 "[ . 1 . 2]" 1
111 1 10 HIS H 1 12 PHE HZ . . 4.370 4.094 3.358 4.445 0.075 10 0 "[ . 1 . 2]" 1
112 1 10 HIS H 1 37 CYS H . . 3.500 3.022 2.317 3.540 0.040 1 0 "[ . 1 . 2]" 1
113 1 10 HIS HA 1 10 HIS HD2 . . 3.920 3.781 3.138 4.002 0.082 18 0 "[ . 1 . 2]" 1
114 1 10 HIS HB2 1 12 PHE QE . . 3.350 3.205 2.795 3.433 0.083 4 0 "[ . 1 . 2]" 1
115 1 10 HIS HB2 1 12 PHE HZ . . 3.730 2.524 2.282 3.121 . 0 0 "[ . 1 . 2]" 1
116 1 10 HIS HB2 1 39 LYS HA . . 4.290 3.958 2.697 4.377 0.087 12 0 "[ . 1 . 2]" 1
117 1 10 HIS HB2 1 39 LYS QB . . 4.480 3.742 2.539 4.430 . 0 0 "[ . 1 . 2]" 1
118 1 10 HIS HB2 1 39 LYS QG . . 4.630 4.052 2.836 4.724 0.094 20 0 "[ . 1 . 2]" 1
119 1 10 HIS HB3 1 11 CYS HA . . 4.540 4.583 4.483 4.633 0.093 9 0 "[ . 1 . 2]" 1
120 1 10 HIS HD2 1 12 PHE QE . . 4.820 4.240 3.039 4.915 0.095 20 0 "[ . 1 . 2]" 1
121 1 11 CYS H 1 36 CYS HA . . 3.600 3.478 2.394 3.679 0.079 18 0 "[ . 1 . 2]" 1
122 1 11 CYS HA 1 12 PHE H . . 2.860 2.253 2.163 2.356 . 0 0 "[ . 1 . 2]" 1
123 1 11 CYS HA 1 36 CYS HA . . 3.360 2.767 2.317 3.322 . 0 0 "[ . 1 . 2]" 1
124 1 11 CYS HB3 1 34 TRP HE3 . . 3.920 3.687 3.105 4.002 0.082 6 0 "[ . 1 . 2]" 1
125 1 12 PHE H 1 12 PHE HB2 . . 3.260 2.902 2.705 3.043 . 0 0 "[ . 1 . 2]" 1
126 1 12 PHE H 1 12 PHE HB3 . . 4.120 3.943 3.819 4.033 . 0 0 "[ . 1 . 2]" 1
127 1 12 PHE H 1 12 PHE QD . . 4.020 3.829 3.699 3.957 . 0 0 "[ . 1 . 2]" 1
128 1 12 PHE H 1 34 TRP QB . . 4.530 3.648 3.481 4.133 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE H 1 34 TRP HE3 . . 4.110 3.518 3.201 3.855 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE H 1 35 LYS H . . 3.470 3.111 2.910 3.488 0.018 18 0 "[ . 1 . 2]" 1
131 1 12 PHE H 1 35 LYS QG . . 4.450 3.631 3.231 4.337 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE HA 1 12 PHE QD . . 3.470 2.391 2.249 2.644 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE HA 1 12 PHE QE . . 4.410 4.503 4.457 4.525 0.115 18 0 "[ . 1 . 2]" 1
134 1 12 PHE HA 1 13 PRO QD . . 2.930 2.227 2.085 2.325 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE HA 1 13 PRO QG . . 4.550 4.183 3.969 4.290 . 0 0 "[ . 1 . 2]" 1
136 1 12 PHE HA 1 16 LYS QE . . 4.580 4.527 4.377 4.558 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE HA 1 34 TRP QB . . 4.610 4.590 4.577 4.606 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE HA 1 34 TRP HE3 . . 3.200 3.039 2.886 3.183 . 0 0 "[ . 1 . 2]" 1
139 1 12 PHE HB2 1 13 PRO QD . . 4.070 3.464 3.386 3.568 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE HB2 1 16 LYS QB . . 4.500 4.035 3.844 4.592 0.092 8 0 "[ . 1 . 2]" 1
141 1 12 PHE HB2 1 16 LYS QD . . 4.040 3.466 3.246 3.789 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE HB2 1 16 LYS QG . . 4.450 2.332 2.198 2.787 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE HB3 1 13 PRO QD . . 4.170 2.149 2.060 2.309 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE HB3 1 16 LYS QB . . 3.550 3.005 2.754 3.433 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE HB3 1 16 LYS QD . . 4.210 3.563 3.104 3.704 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE HB3 1 16 LYS QG . . 3.750 1.983 1.882 2.077 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE QD 1 13 PRO QD . . 3.830 3.241 2.659 3.487 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE QD 1 16 LYS QB . . 4.370 4.452 4.198 4.500 0.130 4 0 "[ . 1 . 2]" 1
149 1 12 PHE QD 1 16 LYS QD . . 4.170 3.564 3.175 3.987 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE QD 1 16 LYS QE . . 4.600 2.387 2.031 2.972 . 0 0 "[ . 1 . 2]" 1
151 1 12 PHE QD 1 16 LYS QG . . 4.440 3.608 3.453 3.723 . 0 0 "[ . 1 . 2]" 1
152 1 12 PHE QD 1 37 CYS H . . 3.690 3.322 2.459 3.775 0.085 15 0 "[ . 1 . 2]" 1
153 1 12 PHE QD 1 37 CYS HB2 . . 3.830 2.992 1.948 3.900 0.070 2 0 "[ . 1 . 2]" 1
154 1 12 PHE QD 1 37 CYS HB3 . . 3.410 2.613 1.963 3.891 0.481 4 0 "[ . 1 . 2]" 1
155 1 12 PHE QE 1 16 LYS QE . . 4.310 3.673 3.523 3.967 . 0 0 "[ . 1 . 2]" 1
156 1 12 PHE QE 1 37 CYS H . . 4.330 3.422 2.896 4.137 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE QE 1 37 CYS HB3 . . 3.540 3.022 2.043 4.098 0.558 19 1 "[ . 1 . +2]" 1
158 1 12 PHE QE 1 39 LYS HA . . 4.630 2.756 2.289 3.634 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE HZ 1 39 LYS HA . . 4.030 2.875 2.098 3.401 . 0 0 "[ . 1 . 2]" 1
160 1 13 PRO HA 1 14 LYS H . . 2.660 2.323 2.167 2.428 . 0 0 "[ . 1 . 2]" 1
161 1 13 PRO HA 1 15 GLU H . . 3.950 4.037 4.004 4.045 0.095 14 0 "[ . 1 . 2]" 1
162 1 13 PRO HA 1 34 TRP HA . . 3.000 2.687 2.430 3.104 0.104 18 0 "[ . 1 . 2]" 1
163 1 13 PRO HA 1 34 TRP HE3 . . 3.010 3.028 2.858 3.096 0.086 8 0 "[ . 1 . 2]" 1
164 1 13 PRO HA 1 34 TRP HZ3 . . 4.160 4.236 4.200 4.249 0.089 5 0 "[ . 1 . 2]" 1
165 1 13 PRO HA 1 35 LYS H . . 4.300 3.407 3.041 3.861 . 0 0 "[ . 1 . 2]" 1
166 1 13 PRO HB2 1 14 LYS H . . 4.190 3.127 2.870 3.460 . 0 0 "[ . 1 . 2]" 1
167 1 13 PRO HB2 1 15 GLU H . . 3.730 2.539 2.281 2.867 . 0 0 "[ . 1 . 2]" 1
168 1 13 PRO HB2 1 15 GLU HG2 . . 4.540 2.295 1.956 4.712 0.172 12 0 "[ . 1 . 2]" 1
169 1 13 PRO HB2 1 16 LYS H . . 3.690 3.113 2.060 3.354 . 0 0 "[ . 1 . 2]" 1
170 1 13 PRO HB3 1 14 LYS H . . 4.070 3.697 3.187 3.860 . 0 0 "[ . 1 . 2]" 1
171 1 13 PRO HB3 1 15 GLU HG3 . . 4.630 4.312 3.006 5.150 0.520 10 2 "[ . - + . 2]" 1
172 1 13 PRO HB3 1 16 LYS H . . 4.600 4.586 3.767 4.685 0.085 14 0 "[ . 1 . 2]" 1
173 1 13 PRO HB3 1 34 TRP HZ2 . . 4.270 3.614 3.261 4.347 0.077 12 0 "[ . 1 . 2]" 1
174 1 13 PRO QD 1 16 LYS QB . . 4.070 2.208 2.035 2.413 . 0 0 "[ . 1 . 2]" 1
175 1 13 PRO QD 1 16 LYS QE . . 4.310 3.923 3.582 4.110 . 0 0 "[ . 1 . 2]" 1
176 1 13 PRO QD 1 34 TRP HE3 . . 3.550 3.312 2.997 3.500 . 0 0 "[ . 1 . 2]" 1
177 1 13 PRO QD 1 34 TRP HZ3 . . 4.450 2.149 2.016 2.290 . 0 0 "[ . 1 . 2]" 1
178 1 13 PRO QG 1 16 LYS HA . . 4.590 3.898 3.550 4.675 0.085 8 0 "[ . 1 . 2]" 1
179 1 13 PRO QG 1 16 LYS QB . . 2.880 2.222 2.078 2.896 0.016 12 0 "[ . 1 . 2]" 1
180 1 13 PRO QG 1 34 TRP HH2 . . 4.620 3.349 2.750 3.674 . 0 0 "[ . 1 . 2]" 1
181 1 13 PRO QG 1 34 TRP HZ2 . . 4.470 4.371 3.794 4.558 0.088 13 0 "[ . 1 . 2]" 1
182 1 13 PRO QG 1 34 TRP HZ3 . . 4.490 3.546 2.919 4.017 . 0 0 "[ . 1 . 2]" 1
183 1 14 LYS H 1 14 LYS HB2 . . 3.230 2.637 2.416 2.810 . 0 0 "[ . 1 . 2]" 1
184 1 14 LYS H 1 14 LYS HB3 . . 3.020 2.255 2.114 2.355 . 0 0 "[ . 1 . 2]" 1
185 1 14 LYS H 1 14 LYS HG3 . . 4.370 4.383 4.298 4.439 0.069 15 0 "[ . 1 . 2]" 1
186 1 14 LYS H 1 15 GLU H . . 3.360 2.673 2.501 2.867 . 0 0 "[ . 1 . 2]" 1
187 1 14 LYS H 1 34 TRP HA . . 2.980 2.580 2.261 2.910 . 0 0 "[ . 1 . 2]" 1
188 1 14 LYS H 1 34 TRP QB . . 4.480 4.296 4.075 4.381 . 0 0 "[ . 1 . 2]" 1
189 1 14 LYS H 1 35 LYS QE . . 4.010 3.972 3.853 4.017 0.007 17 0 "[ . 1 . 2]" 1
190 1 14 LYS HA 1 14 LYS HB2 . . 2.880 2.438 2.381 2.517 . 0 0 "[ . 1 . 2]" 1
191 1 14 LYS HA 1 14 LYS HB3 . . 2.990 3.028 3.002 3.052 0.062 12 0 "[ . 1 . 2]" 1
192 1 14 LYS HA 1 14 LYS HG2 . . 4.100 3.962 3.854 4.087 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS HA 1 16 LYS H . . 3.920 3.933 3.845 3.990 0.070 11 0 "[ . 1 . 2]" 1
194 1 14 LYS HA 1 16 LYS QG . . 3.850 3.911 3.731 3.955 0.105 16 0 "[ . 1 . 2]" 1
195 1 14 LYS HA 1 17 ILE HA . . 4.380 4.445 4.156 4.481 0.101 7 0 "[ . 1 . 2]" 1
196 1 14 LYS HA 1 17 ILE QG . . 4.550 4.320 4.063 4.509 . 0 0 "[ . 1 . 2]" 1
197 1 14 LYS HA 1 35 LYS H . . 4.490 4.519 4.046 4.572 0.082 16 0 "[ . 1 . 2]" 1
198 1 14 LYS HA 1 35 LYS HB3 . . 4.480 3.896 3.568 4.388 . 0 0 "[ . 1 . 2]" 1
199 1 14 LYS HA 1 35 LYS HD2 . . 4.110 3.823 3.492 4.142 0.032 17 0 "[ . 1 . 2]" 1
200 1 14 LYS HA 1 35 LYS HD3 . . 3.010 2.492 2.007 3.049 0.039 17 0 "[ . 1 . 2]" 1
201 1 14 LYS HA 1 35 LYS QE . . 3.220 1.893 1.665 2.298 . 0 0 "[ . 1 . 2]" 1
202 1 14 LYS HA 1 35 LYS QG . . 3.210 2.303 1.970 2.496 . 0 0 "[ . 1 . 2]" 1
203 1 14 LYS HB3 1 14 LYS QE . . 3.980 3.718 3.534 3.865 . 0 0 "[ . 1 . 2]" 1
204 1 14 LYS HB3 1 15 GLU H . . 3.910 2.677 2.425 2.873 . 0 0 "[ . 1 . 2]" 1
205 1 14 LYS HB3 1 34 TRP HA . . 4.270 4.131 3.825 4.334 0.064 11 0 "[ . 1 . 2]" 1
206 1 14 LYS QE 1 14 LYS HG3 . . 3.840 2.408 2.231 2.567 . 0 0 "[ . 1 . 2]" 1
207 1 14 LYS QE 1 17 ILE QG . . 3.300 3.233 2.918 3.339 0.039 9 0 "[ . 1 . 2]" 1
208 1 14 LYS QE 1 35 LYS HB3 . . 3.160 3.235 3.046 3.264 0.104 18 0 "[ . 1 . 2]" 1
209 1 14 LYS QE 1 35 LYS HD2 . . 4.450 3.500 2.914 4.093 . 0 0 "[ . 1 . 2]" 1
210 1 14 LYS QE 1 35 LYS HD3 . . 3.290 2.081 1.862 2.614 . 0 0 "[ . 1 . 2]" 1
211 1 14 LYS HG2 1 15 GLU H . . 4.000 4.056 3.888 4.086 0.086 3 0 "[ . 1 . 2]" 1
212 1 14 LYS HG3 1 15 GLU H . . 3.870 3.644 3.347 3.916 0.046 10 0 "[ . 1 . 2]" 1
213 1 15 GLU H 1 15 GLU HB2 . . 3.620 3.588 2.732 3.683 0.063 14 0 "[ . 1 . 2]" 1
214 1 15 GLU H 1 15 GLU HB3 . . 3.000 2.563 2.216 3.508 0.508 12 1 "[ . 1 + . 2]" 1
215 1 15 GLU H 1 15 GLU HG2 . . 3.910 2.509 2.022 2.954 . 0 0 "[ . 1 . 2]" 1
216 1 15 GLU H 1 15 GLU HG3 . . 4.220 3.200 1.721 3.986 . 0 0 "[ . 1 . 2]" 1
217 1 15 GLU H 1 16 LYS H . . 3.120 2.876 2.761 2.993 . 0 0 "[ . 1 . 2]" 1
218 1 15 GLU HA 1 15 GLU HB2 . . 2.860 2.426 2.255 2.997 0.137 12 0 "[ . 1 . 2]" 1
219 1 15 GLU HA 1 15 GLU HB3 . . 2.920 2.410 2.313 2.602 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLU HA 1 15 GLU HG2 . . 3.940 3.686 2.655 4.030 0.090 20 0 "[ . 1 . 2]" 1
221 1 15 GLU HA 1 15 GLU HG3 . . 3.520 3.702 3.349 4.034 0.514 8 1 "[ . + 1 . 2]" 1
222 1 15 GLU HB3 1 16 LYS H . . 4.210 4.260 4.047 4.306 0.096 18 0 "[ . 1 . 2]" 1
223 1 15 GLU HG2 1 16 LYS H . . 4.410 3.281 2.326 4.982 0.572 12 1 "[ . 1 + . 2]" 1
224 1 16 LYS H 1 16 LYS QB . . 2.580 2.255 2.036 2.390 . 0 0 "[ . 1 . 2]" 1
225 1 16 LYS H 1 16 LYS QD . . 4.500 4.227 4.155 4.275 . 0 0 "[ . 1 . 2]" 1
226 1 16 LYS H 1 16 LYS QG . . 4.320 2.647 2.506 2.775 . 0 0 "[ . 1 . 2]" 1
227 1 16 LYS H 1 35 LYS QE . . 3.720 3.482 3.268 3.630 . 0 0 "[ . 1 . 2]" 1
228 1 16 LYS HA 1 16 LYS QB . . 2.720 2.199 2.125 2.240 . 0 0 "[ . 1 . 2]" 1
229 1 16 LYS HA 1 16 LYS QD . . 3.660 3.599 3.383 3.650 . 0 0 "[ . 1 . 2]" 1
230 1 16 LYS HA 1 16 LYS QG . . 3.770 3.481 3.444 3.518 . 0 0 "[ . 1 . 2]" 1
231 1 16 LYS HA 1 17 ILE HB . . 4.220 4.308 4.296 4.314 0.094 14 0 "[ . 1 . 2]" 1
232 1 16 LYS QB 1 16 LYS QD . . 3.220 2.342 2.015 2.600 . 0 0 "[ . 1 . 2]" 1
233 1 16 LYS QB 1 17 ILE HA . . 5.130 5.079 4.966 5.206 0.076 3 0 "[ . 1 . 2]" 1
234 1 16 LYS QB 1 35 LYS QE . . 4.540 3.982 3.627 4.220 . 0 0 "[ . 1 . 2]" 1
235 1 16 LYS QD 1 17 ILE H . . 4.040 3.465 2.937 3.680 . 0 0 "[ . 1 . 2]" 1
236 1 16 LYS QD 1 18 CYS HA . . 4.540 2.642 2.448 2.985 . 0 0 "[ . 1 . 2]" 1
237 1 16 LYS QD 1 18 CYS QB . . 3.910 2.408 2.046 3.847 . 0 0 "[ . 1 . 2]" 1
238 1 16 LYS QD 1 35 LYS QE . . 4.830 2.982 2.569 3.504 . 0 0 "[ . 1 . 2]" 1
239 1 16 LYS QE 1 16 LYS QG . . 3.410 2.498 2.339 2.660 . 0 0 "[ . 1 . 2]" 1
240 1 16 LYS QE 1 18 CYS HA . . 4.490 3.331 3.095 3.581 . 0 0 "[ . 1 . 2]" 1
241 1 16 LYS QG 1 17 ILE H . . 3.680 2.298 1.741 2.553 . 0 0 "[ . 1 . 2]" 1
242 1 16 LYS QG 1 17 ILE HA . . 4.330 3.370 3.200 3.547 . 0 0 "[ . 1 . 2]" 1
243 1 16 LYS QG 1 35 LYS HD2 . . 4.760 4.517 4.162 4.754 . 0 0 "[ . 1 . 2]" 1
244 1 16 LYS QG 1 35 LYS QE . . 4.120 2.191 2.051 2.368 . 0 0 "[ . 1 . 2]" 1
245 1 17 ILE H 1 17 ILE HA . . 2.870 2.211 2.159 2.261 . 0 0 "[ . 1 . 2]" 1
246 1 17 ILE H 1 17 ILE HB . . 3.070 2.967 2.823 3.147 0.077 17 0 "[ . 1 . 2]" 1
247 1 17 ILE H 1 17 ILE MD . . 4.670 3.529 2.549 4.170 . 0 0 "[ . 1 . 2]" 1
248 1 17 ILE H 1 17 ILE QG . . 3.230 2.779 2.526 3.127 . 0 0 "[ . 1 . 2]" 1
249 1 17 ILE H 1 17 ILE MG . . 4.230 4.042 3.982 4.131 . 0 0 "[ . 1 . 2]" 1
250 1 17 ILE HA 1 17 ILE MD . . 3.730 3.459 2.254 3.733 0.003 17 0 "[ . 1 . 2]" 1
251 1 17 ILE HA 1 17 ILE QG . . 3.290 2.105 2.005 2.209 . 0 0 "[ . 1 . 2]" 1
252 1 17 ILE HA 1 17 ILE MG . . 3.030 2.846 2.746 2.968 . 0 0 "[ . 1 . 2]" 1
253 1 17 ILE HA 1 18 CYS H . . 3.030 2.283 2.069 2.483 . 0 0 "[ . 1 . 2]" 1
254 1 17 ILE HA 1 35 LYS QE . . 4.090 2.721 2.125 3.457 . 0 0 "[ . 1 . 2]" 1
255 1 17 ILE HB 1 17 ILE MD . . 3.430 2.378 2.180 3.290 . 0 0 "[ . 1 . 2]" 1
256 1 17 ILE MG 1 18 CYS H . . 4.090 3.461 2.156 3.941 . 0 0 "[ . 1 . 2]" 1
257 1 17 ILE MG 1 18 CYS HA . . 4.750 4.198 3.997 4.503 . 0 0 "[ . 1 . 2]" 1
258 1 17 ILE MG 1 18 CYS QB . . 4.700 4.776 4.435 4.837 0.137 16 0 "[ . 1 . 2]" 1
259 1 17 ILE MG 1 19 LEU HA . . 4.590 4.505 4.252 4.668 0.078 16 0 "[ . 1 . 2]" 1
260 1 17 ILE MG 1 19 LEU HB2 . . 3.380 3.155 2.713 3.476 0.096 2 0 "[ . 1 . 2]" 1
261 1 17 ILE MG 1 19 LEU MD1 . . 2.600 2.292 2.054 2.620 0.020 1 0 "[ . 1 . 2]" 1
262 1 18 CYS H 1 18 CYS QB . . 3.770 2.378 2.069 3.115 . 0 0 "[ . 1 . 2]" 1
263 1 18 CYS HA 1 19 LEU H . . 2.710 2.366 2.184 2.797 0.087 19 0 "[ . 1 . 2]" 1
264 1 18 CYS HA 1 19 LEU MD1 . . 4.670 4.675 4.341 4.775 0.105 6 0 "[ . 1 . 2]" 1
265 1 18 CYS HA 1 41 SER HB3 . . 4.440 3.356 1.997 4.514 0.074 7 0 "[ . 1 . 2]" 1
266 1 18 CYS QB 1 19 LEU H . . 4.140 3.492 2.891 3.945 . 0 0 "[ . 1 . 2]" 1
267 1 18 CYS QB 1 23 SER HB2 . . 4.490 4.358 3.630 4.582 0.092 18 0 "[ . 1 . 2]" 1
268 1 18 CYS QB 1 24 ASP HA . . 4.200 3.770 3.120 4.293 0.093 11 0 "[ . 1 . 2]" 1
269 1 18 CYS QB 1 24 ASP HB2 . . 3.310 2.483 2.105 4.266 0.956 17 1 "[ . 1 . + 2]" 1
270 1 18 CYS QB 1 24 ASP HB3 . . 4.440 3.754 3.198 4.538 0.098 9 0 "[ . 1 . 2]" 1
271 1 18 CYS QB 1 41 SER HB3 . . 4.030 3.777 2.602 4.123 0.093 10 0 "[ . 1 . 2]" 1
272 1 19 LEU H 1 19 LEU HB2 . . 3.520 2.704 2.096 2.972 . 0 0 "[ . 1 . 2]" 1
273 1 19 LEU H 1 19 LEU HB3 . . 3.370 3.309 3.138 3.403 0.033 13 0 "[ . 1 . 2]" 1
274 1 19 LEU H 1 19 LEU MD1 . . 4.230 3.867 2.903 4.073 . 0 0 "[ . 1 . 2]" 1
275 1 19 LEU H 1 41 SER HB2 . . 3.830 2.955 2.012 3.824 . 0 0 "[ . 1 . 2]" 1
276 1 19 LEU H 1 41 SER HB3 . . 4.150 3.405 2.370 4.223 0.073 13 0 "[ . 1 . 2]" 1
277 1 19 LEU HA 1 19 LEU HB2 . . 2.970 2.862 2.763 2.951 . 0 0 "[ . 1 . 2]" 1
278 1 19 LEU HA 1 19 LEU MD1 . . 2.770 2.056 2.023 2.110 . 0 0 "[ . 1 . 2]" 1
279 1 19 LEU HA 1 20 PRO HA . . 2.930 2.358 2.184 2.576 . 0 0 "[ . 1 . 2]" 1
280 1 19 LEU HA 1 20 PRO HB2 . . 4.380 4.478 4.446 4.607 0.227 18 0 "[ . 1 . 2]" 1
281 1 19 LEU HA 1 20 PRO HD2 . . 4.640 4.434 4.276 4.519 . 0 0 "[ . 1 . 2]" 1
282 1 19 LEU HA 1 21 PRO HA . . 3.550 3.474 3.316 3.624 0.074 19 0 "[ . 1 . 2]" 1
283 1 19 LEU HB3 1 20 PRO HA . . 3.860 3.112 2.705 3.498 . 0 0 "[ . 1 . 2]" 1
284 1 19 LEU MD1 1 20 PRO HA . . 3.220 2.918 2.773 3.160 . 0 0 "[ . 1 . 2]" 1
285 1 19 LEU MD1 1 20 PRO HB3 . . 4.970 4.771 4.578 5.021 0.051 19 0 "[ . 1 . 2]" 1
286 1 19 LEU MD1 1 21 PRO HA . . 4.000 3.289 2.859 3.688 . 0 0 "[ . 1 . 2]" 1
287 1 19 LEU MD1 1 21 PRO HB2 . . 4.400 4.115 3.819 4.949 0.549 19 1 "[ . 1 . +2]" 1
288 1 19 LEU MD1 1 21 PRO HD2 . . 3.990 3.696 3.605 4.068 0.078 19 0 "[ . 1 . 2]" 1
289 1 19 LEU MD1 1 21 PRO HD3 . . 3.290 2.214 2.078 2.603 . 0 0 "[ . 1 . 2]" 1
290 1 19 LEU MD1 1 21 PRO HG2 . . 4.100 4.185 4.092 4.207 0.107 6 0 "[ . 1 . 2]" 1
291 1 19 LEU MD1 1 21 PRO HG3 . . 3.840 3.090 2.829 3.208 . 0 0 "[ . 1 . 2]" 1
292 1 19 LEU HG 1 20 PRO HA . . 3.250 2.039 1.859 2.405 . 0 0 "[ . 1 . 2]" 1
293 1 19 LEU HG 1 20 PRO HB2 . . 4.440 4.529 4.456 4.877 0.437 2 0 "[ . 1 . 2]" 1
294 1 19 LEU HG 1 21 PRO HD3 . . 3.900 2.421 2.121 2.695 . 0 0 "[ . 1 . 2]" 1
295 1 20 PRO HA 1 21 PRO HD2 . . 3.480 2.745 2.641 2.837 . 0 0 "[ . 1 . 2]" 1
296 1 20 PRO HA 1 21 PRO HD3 . . 2.990 2.175 2.082 2.250 . 0 0 "[ . 1 . 2]" 1
297 1 20 PRO HB2 1 21 PRO HD2 . . 3.620 2.293 2.174 2.767 . 0 0 "[ . 1 . 2]" 1
298 1 20 PRO HB2 1 21 PRO HD3 . . 3.750 3.437 3.333 3.811 0.061 13 0 "[ . 1 . 2]" 1
299 1 20 PRO HB3 1 21 PRO HD2 . . 3.120 3.120 2.651 3.198 0.078 18 0 "[ . 1 . 2]" 1
300 1 20 PRO HB3 1 21 PRO HD3 . . 3.640 3.682 3.390 3.803 0.163 2 0 "[ . 1 . 2]" 1
301 1 20 PRO HG3 1 21 PRO HD2 . . 4.850 4.907 4.867 4.927 0.077 17 0 "[ . 1 . 2]" 1
302 1 21 PRO HA 1 24 ASP HB3 . . 4.120 2.899 2.010 5.052 0.932 17 1 "[ . 1 . + 2]" 1
303 1 21 PRO HB3 1 22 SER H . . 4.500 4.320 3.292 4.664 0.164 9 0 "[ . 1 . 2]" 1
304 1 22 SER H 1 23 SER H . . 4.320 2.593 1.919 3.574 . 0 0 "[ . 1 . 2]" 1
305 1 22 SER H 1 24 ASP H . . 4.510 2.891 2.169 4.044 . 0 0 "[ . 1 . 2]" 1
306 1 22 SER HA 1 22 SER HB2 . . 2.990 2.687 2.378 3.045 0.055 3 0 "[ . 1 . 2]" 1
307 1 22 SER HA 1 22 SER HB3 . . 2.830 2.753 2.314 3.047 0.217 2 0 "[ . 1 . 2]" 1
308 1 22 SER HA 1 24 ASP H . . 4.130 3.988 3.473 4.199 0.069 10 0 "[ . 1 . 2]" 1
309 1 23 SER H 1 23 SER HB2 . . 3.220 2.828 2.402 3.313 0.093 11 0 "[ . 1 . 2]" 1
310 1 23 SER H 1 23 SER HB3 . . 3.950 3.395 2.734 3.711 . 0 0 "[ . 1 . 2]" 1
311 1 23 SER H 1 24 ASP H . . 3.210 2.685 2.172 2.974 . 0 0 "[ . 1 . 2]" 1
312 1 23 SER HA 1 23 SER HB3 . . 3.050 2.315 2.009 2.452 . 0 0 "[ . 1 . 2]" 1
313 1 23 SER HA 1 25 PHE H . . 3.970 3.922 3.555 4.064 0.094 2 0 "[ . 1 . 2]" 1
314 1 23 SER HA 1 25 PHE QD . . 4.620 3.114 2.541 3.681 . 0 0 "[ . 1 . 2]" 1
315 1 23 SER HA 1 25 PHE QE . . 3.640 3.624 2.859 3.739 0.099 14 0 "[ . 1 . 2]" 1
316 1 23 SER HA 1 38 LYS H . . 4.230 3.828 3.500 4.308 0.078 9 0 "[ . 1 . 2]" 1
317 1 23 SER HA 1 38 LYS QB . . 4.230 4.201 3.610 4.343 0.113 3 0 "[ . 1 . 2]" 1
318 1 23 SER HA 1 38 LYS QG . . 3.560 3.194 2.755 3.660 0.100 7 0 "[ . 1 . 2]" 1
319 1 23 SER HB2 1 24 ASP HA . . 4.190 4.262 4.186 4.287 0.097 19 0 "[ . 1 . 2]" 1
320 1 23 SER HB2 1 38 LYS H . . 3.770 2.830 1.682 3.621 . 0 0 "[ . 1 . 2]" 1
321 1 23 SER HB2 1 38 LYS QB . . 3.610 3.429 2.565 3.703 0.093 7 0 "[ . 1 . 2]" 1
322 1 23 SER HB2 1 38 LYS QG . . 4.130 3.676 2.285 4.200 0.070 13 0 "[ . 1 . 2]" 1
323 1 23 SER HB3 1 38 LYS H . . 3.440 2.407 1.667 3.309 . 0 0 "[ . 1 . 2]" 1
324 1 23 SER HB3 1 38 LYS QB . . 3.190 2.487 2.177 3.299 0.109 18 0 "[ . 1 . 2]" 1
325 1 23 SER HB3 1 38 LYS QD . . 4.510 3.531 2.234 4.590 0.080 2 0 "[ . 1 . 2]" 1
326 1 23 SER HB3 1 38 LYS QE . . 4.320 3.579 2.068 4.268 . 0 0 "[ . 1 . 2]" 1
327 1 23 SER HB3 1 38 LYS QG . . 3.780 2.397 1.873 2.797 . 0 0 "[ . 1 . 2]" 1
328 1 24 ASP H 1 24 ASP HB2 . . 3.290 2.668 2.302 3.149 . 0 0 "[ . 1 . 2]" 1
329 1 24 ASP H 1 24 ASP HB3 . . 3.110 2.603 2.396 3.382 0.272 17 0 "[ . 1 . 2]" 1
330 1 24 ASP H 1 25 PHE H . . 4.290 3.390 2.259 3.962 . 0 0 "[ . 1 . 2]" 1
331 1 24 ASP H 1 25 PHE QD . . 5.230 4.869 4.047 5.255 0.025 10 0 "[ . 1 . 2]" 1
332 1 24 ASP HA 1 25 PHE H . . 3.330 2.608 2.298 3.392 0.062 15 0 "[ . 1 . 2]" 1
333 1 24 ASP HA 1 37 CYS HA . . 3.750 2.815 1.996 3.592 . 0 0 "[ . 1 . 2]" 1
334 1 25 PHE H 1 25 PHE HB2 . . 4.100 3.630 3.450 4.018 . 0 0 "[ . 1 . 2]" 1
335 1 25 PHE H 1 25 PHE HB3 . . 3.220 3.102 2.921 3.291 0.071 15 0 "[ . 1 . 2]" 1
336 1 25 PHE H 1 25 PHE QD . . 4.040 2.710 2.269 3.406 . 0 0 "[ . 1 . 2]" 1
337 1 25 PHE HB2 1 28 MET HG2 . . 4.320 4.194 2.835 4.622 0.302 11 0 "[ . 1 . 2]" 1
338 1 25 PHE HB3 1 26 GLY H . . 5.120 4.204 3.429 4.762 . 0 0 "[ . 1 . 2]" 1
339 1 25 PHE QD 1 27 LYS HA . . 4.580 3.440 2.869 3.901 . 0 0 "[ . 1 . 2]" 1
340 1 25 PHE QE 1 27 LYS HA . . 3.580 3.660 3.570 3.686 0.106 10 0 "[ . 1 . 2]" 1
341 1 25 PHE QE 1 28 MET HA . . 4.640 4.655 4.094 4.741 0.101 11 0 "[ . 1 . 2]" 1
342 1 25 PHE QE 1 28 MET HB2 . . 4.370 2.924 2.243 3.379 . 0 0 "[ . 1 . 2]" 1
343 1 25 PHE QE 1 38 LYS H . . 4.310 3.615 2.277 4.392 0.082 6 0 "[ . 1 . 2]" 1
344 1 25 PHE QE 1 38 LYS QG . . 3.710 2.934 2.106 3.836 0.126 3 0 "[ . 1 . 2]" 1
345 1 26 GLY H 1 26 GLY HA3 . . 2.780 2.717 2.289 2.932 0.152 1 0 "[ . 1 . 2]" 1
346 1 26 GLY H 1 27 LYS H . . 3.290 2.899 1.760 3.370 0.080 4 0 "[ . 1 . 2]" 1
347 1 26 GLY HA2 1 27 LYS H . . 3.130 3.042 2.366 3.580 0.450 1 0 "[ . 1 . 2]" 1
348 1 26 GLY HA2 1 27 LYS HB3 . . 4.470 4.398 3.876 4.747 0.277 1 0 "[ . 1 . 2]" 1
349 1 27 LYS H 1 27 LYS HB3 . . 3.720 3.279 2.795 3.607 . 0 0 "[ . 1 . 2]" 1
350 1 27 LYS H 1 27 LYS QG . . 4.370 3.754 2.790 4.202 . 0 0 "[ . 1 . 2]" 1
351 1 27 LYS HA 1 27 LYS HB2 . . 3.030 2.286 2.117 2.437 . 0 0 "[ . 1 . 2]" 1
352 1 27 LYS HA 1 27 LYS HD2 . . 4.230 4.168 3.691 4.742 0.512 18 2 "[- . 1 . + 2]" 1
353 1 27 LYS HA 1 27 LYS HD3 . . 4.680 4.214 3.720 4.756 0.076 11 0 "[ . 1 . 2]" 1
354 1 27 LYS HA 1 27 LYS QG . . 3.710 3.246 2.400 3.555 . 0 0 "[ . 1 . 2]" 1
355 1 27 LYS HA 1 28 MET H . . 3.010 2.376 1.986 2.726 . 0 0 "[ . 1 . 2]" 1
356 1 27 LYS HA 1 35 LYS HA . . 3.120 3.028 2.646 3.210 0.090 17 0 "[ . 1 . 2]" 1
357 1 27 LYS HA 1 36 CYS H . . 3.830 2.838 2.134 3.414 . 0 0 "[ . 1 . 2]" 1
358 1 27 LYS HA 1 36 CYS HB2 . . 4.340 2.830 2.010 3.765 . 0 0 "[ . 1 . 2]" 1
359 1 27 LYS HB2 1 27 LYS QE . . 4.420 3.712 3.202 3.950 . 0 0 "[ . 1 . 2]" 1
360 1 27 LYS HB2 1 28 MET H . . 3.670 2.895 2.128 3.763 0.093 5 0 "[ . 1 . 2]" 1
361 1 27 LYS HB2 1 35 LYS HA . . 2.400 2.284 2.052 2.490 0.090 9 0 "[ . 1 . 2]" 1
362 1 27 LYS HB3 1 27 LYS QE . . 4.680 3.758 2.098 4.360 . 0 0 "[ . 1 . 2]" 1
363 1 27 LYS HB3 1 28 MET H . . 4.040 3.912 3.530 4.099 0.059 1 0 "[ . 1 . 2]" 1
364 1 27 LYS HD3 1 30 CYS HB2 . . 3.410 3.096 2.150 3.961 0.551 4 2 "[ +. 1 .- 2]" 1
365 1 27 LYS QE 1 32 TRP H . . 4.520 4.028 3.408 4.450 . 0 0 "[ . 1 . 2]" 1
366 1 27 LYS QE 1 32 TRP HA . . 3.690 2.323 1.892 2.970 . 0 0 "[ . 1 . 2]" 1
367 1 27 LYS QG 1 28 MET H . . 4.730 3.231 1.940 4.112 . 0 0 "[ . 1 . 2]" 1
368 1 27 LYS QG 1 32 TRP HA . . 4.580 3.791 2.632 4.408 . 0 0 "[ . 1 . 2]" 1
369 1 28 MET H 1 28 MET HA . . 2.830 2.914 2.863 2.926 0.096 1 0 "[ . 1 . 2]" 1
370 1 28 MET H 1 28 MET HG2 . . 3.490 3.439 3.081 4.092 0.602 11 1 "[ . 1+ . 2]" 1
371 1 28 MET H 1 28 MET HG3 . . 4.170 4.177 3.543 4.259 0.089 8 0 "[ . 1 . 2]" 1
372 1 28 MET H 1 29 ASP H . . 4.090 3.139 2.271 4.095 0.005 11 0 "[ . 1 . 2]" 1
373 1 28 MET HA 1 28 MET HB3 . . 2.980 2.636 2.541 2.774 . 0 0 "[ . 1 . 2]" 1
374 1 28 MET HA 1 28 MET ME . . 3.940 3.494 2.299 4.040 0.100 19 0 "[ . 1 . 2]" 1
375 1 28 MET HA 1 28 MET HG2 . . 3.300 2.585 2.063 2.827 . 0 0 "[ . 1 . 2]" 1
376 1 28 MET HA 1 28 MET HG3 . . 4.000 3.614 2.899 3.742 . 0 0 "[ . 1 . 2]" 1
377 1 28 MET HB2 1 29 ASP H . . 2.930 2.343 2.044 3.005 0.075 15 0 "[ . 1 . 2]" 1
378 1 28 MET HB2 1 30 CYS H . . 4.040 3.911 3.521 4.121 0.081 13 0 "[ . 1 . 2]" 1
379 1 28 MET HB2 1 36 CYS HB2 . . 3.400 3.403 2.877 3.694 0.294 16 0 "[ . 1 . 2]" 1
380 1 28 MET HB2 1 36 CYS HB3 . . 4.220 3.881 2.917 4.309 0.089 15 0 "[ . 1 . 2]" 1
381 1 28 MET HB3 1 29 ASP H . . 2.590 2.176 1.707 2.675 0.085 1 0 "[ . 1 . 2]" 1
382 1 28 MET ME 1 28 MET HG2 . . 3.340 2.456 2.183 3.434 0.094 10 0 "[ . 1 . 2]" 1
383 1 28 MET ME 1 28 MET HG3 . . 3.830 2.691 2.274 3.411 . 0 0 "[ . 1 . 2]" 1
384 1 28 MET HG3 1 36 CYS HB2 . . 4.640 4.278 3.134 5.004 0.364 17 0 "[ . 1 . 2]" 1
385 1 29 ASP H 1 29 ASP HB3 . . 3.690 2.669 2.123 3.565 . 0 0 "[ . 1 . 2]" 1
386 1 29 ASP H 1 30 CYS H . . 3.240 2.663 1.788 3.319 0.079 15 0 "[ . 1 . 2]" 1
387 1 29 ASP HA 1 29 ASP HB2 . . 3.020 2.576 2.377 2.954 . 0 0 "[ . 1 . 2]" 1
388 1 29 ASP HA 1 29 ASP HB3 . . 2.840 2.995 2.529 3.059 0.219 1 0 "[ . 1 . 2]" 1
389 1 29 ASP HB2 1 30 CYS H . . 4.150 4.292 3.941 4.594 0.444 10 0 "[ . 1 . 2]" 1
390 1 30 CYS H 1 30 CYS HB2 . . 3.090 2.536 2.066 2.961 . 0 0 "[ . 1 . 2]" 1
391 1 30 CYS H 1 30 CYS HB3 . . 3.850 3.383 2.854 3.864 0.014 15 0 "[ . 1 . 2]" 1
392 1 30 CYS HA 1 31 ARG H . . 3.140 2.448 2.275 2.636 . 0 0 "[ . 1 . 2]" 1
393 1 30 CYS HB2 1 31 ARG H . . 3.990 3.532 3.000 4.069 0.079 20 0 "[ . 1 . 2]" 1
394 1 30 CYS HB3 1 31 ARG H . . 3.430 2.648 2.015 3.207 . 0 0 "[ . 1 . 2]" 1
395 1 30 CYS HB3 1 34 TRP QB . . 3.740 3.141 2.279 3.613 . 0 0 "[ . 1 . 2]" 1
396 1 31 ARG H 1 31 ARG HB2 . . 3.250 3.115 2.794 3.354 0.104 16 0 "[ . 1 . 2]" 1
397 1 31 ARG H 1 31 ARG HB3 . . 3.440 3.333 2.550 3.528 0.088 9 0 "[ . 1 . 2]" 1
398 1 31 ARG H 1 31 ARG QG . . 3.410 1.826 1.601 2.460 . 0 0 "[ . 1 . 2]" 1
399 1 31 ARG H 1 34 TRP QB . . 3.770 3.127 2.828 3.669 . 0 0 "[ . 1 . 2]" 1
400 1 31 ARG HA 1 31 ARG HB3 . . 2.990 2.274 2.179 2.320 . 0 0 "[ . 1 . 2]" 1
401 1 31 ARG HA 1 31 ARG QG . . 3.550 2.899 2.600 3.349 . 0 0 "[ . 1 . 2]" 1
402 1 31 ARG HA 1 32 TRP H . . 2.680 2.264 2.091 2.441 . 0 0 "[ . 1 . 2]" 1
403 1 31 ARG HA 1 32 TRP HA . . 4.400 4.392 4.269 4.458 0.058 11 0 "[ . 1 . 2]" 1
404 1 31 ARG HB2 1 32 TRP H . . 3.360 3.144 2.191 3.444 0.084 9 0 "[ . 1 . 2]" 1
405 1 31 ARG HB2 1 32 TRP HA . . 4.710 4.735 4.520 4.792 0.082 10 0 "[ . 1 . 2]" 1
406 1 31 ARG HB2 1 34 TRP QB . . 4.480 2.801 2.226 4.343 . 0 0 "[ . 1 . 2]" 1
407 1 31 ARG HB2 1 34 TRP HD1 . . 4.590 3.166 2.482 4.655 0.065 20 0 "[ . 1 . 2]" 1
408 1 31 ARG HB3 1 32 TRP H . . 3.280 2.960 2.611 3.377 0.097 16 0 "[ . 1 . 2]" 1
409 1 31 ARG HB3 1 34 TRP QB . . 4.540 4.102 3.816 4.528 . 0 0 "[ . 1 . 2]" 1
410 1 31 ARG QD 1 34 TRP QB . . 3.210 3.033 1.965 3.142 . 0 0 "[ . 1 . 2]" 1
411 1 31 ARG QG 1 32 TRP H . . 4.700 4.255 3.607 4.413 . 0 0 "[ . 1 . 2]" 1
412 1 31 ARG QG 1 33 ARG H . . 5.500 4.558 2.916 5.268 . 0 0 "[ . 1 . 2]" 1
413 1 31 ARG QG 1 34 TRP QB . . 3.920 2.367 1.954 3.541 . 0 0 "[ . 1 . 2]" 1
414 1 31 ARG QG 1 34 TRP HD1 . . 4.050 3.702 2.655 3.998 . 0 0 "[ . 1 . 2]" 1
415 1 32 TRP H 1 32 TRP HB2 . . 2.870 2.672 2.463 2.790 . 0 0 "[ . 1 . 2]" 1
416 1 32 TRP H 1 32 TRP HB3 . . 2.850 2.335 2.153 2.506 . 0 0 "[ . 1 . 2]" 1
417 1 32 TRP H 1 33 ARG H . . 4.280 2.907 2.479 4.221 . 0 0 "[ . 1 . 2]" 1
418 1 32 TRP HA 1 32 TRP HB2 . . 2.940 2.427 2.338 2.493 . 0 0 "[ . 1 . 2]" 1
419 1 32 TRP HA 1 32 TRP HD1 . . 3.570 2.713 2.463 3.210 . 0 0 "[ . 1 . 2]" 1
420 1 32 TRP HA 1 33 ARG H . . 3.560 3.280 2.093 3.595 0.035 17 0 "[ . 1 . 2]" 1
421 1 32 TRP HA 1 33 ARG HA . . 4.540 4.552 4.225 4.629 0.089 18 0 "[ . 1 . 2]" 1
422 1 32 TRP HA 1 33 ARG QB . . 5.500 5.018 4.430 5.275 . 0 0 "[ . 1 . 2]" 1
423 1 32 TRP HA 1 34 TRP H . . 4.010 3.845 3.529 4.085 0.075 8 0 "[ . 1 . 2]" 1
424 1 32 TRP HB2 1 32 TRP HD1 . . 3.580 3.275 2.718 3.636 0.056 11 0 "[ . 1 . 2]" 1
425 1 32 TRP HB2 1 32 TRP HE3 . . 3.880 3.403 2.875 3.965 0.085 8 0 "[ . 1 . 2]" 1
426 1 32 TRP HB3 1 32 TRP HD1 . . 3.730 3.786 3.725 3.813 0.083 12 0 "[ . 1 . 2]" 1
427 1 32 TRP HB3 1 32 TRP HE3 . . 3.480 2.633 2.396 2.972 . 0 0 "[ . 1 . 2]" 1
428 1 32 TRP HB3 1 33 ARG H . . 5.370 3.176 2.542 4.466 . 0 0 "[ . 1 . 2]" 1
429 1 33 ARG HA 1 33 ARG HG2 . . 3.820 3.231 2.442 3.880 0.060 19 0 "[ . 1 . 2]" 1
430 1 33 ARG HA 1 33 ARG HG3 . . 3.420 2.798 2.109 3.885 0.465 8 0 "[ . 1 . 2]" 1
431 1 33 ARG QB 1 33 ARG QD . . 3.400 2.214 1.990 2.798 . 0 0 "[ . 1 . 2]" 1
432 1 33 ARG QB 1 34 TRP QB . . 4.770 4.427 4.158 4.485 . 0 0 "[ . 1 . 2]" 1
433 1 33 ARG QB 1 34 TRP HD1 . . 3.820 2.231 1.933 2.415 . 0 0 "[ . 1 . 2]" 1
434 1 33 ARG QD 1 34 TRP HD1 . . 4.410 3.988 2.242 4.500 0.090 11 0 "[ . 1 . 2]" 1
435 1 33 ARG HG2 1 34 TRP HD1 . . 4.060 3.707 3.201 4.143 0.083 11 0 "[ . 1 . 2]" 1
436 1 33 ARG HG3 1 34 TRP HD1 . . 4.640 4.171 2.297 4.726 0.086 16 0 "[ . 1 . 2]" 1
437 1 34 TRP H 1 34 TRP QB . . 3.170 2.535 2.301 2.770 . 0 0 "[ . 1 . 2]" 1
438 1 34 TRP H 1 34 TRP HD1 . . 3.640 3.052 2.303 3.662 0.022 15 0 "[ . 1 . 2]" 1
439 1 34 TRP HA 1 34 TRP HD1 . . 4.030 3.396 3.211 3.665 . 0 0 "[ . 1 . 2]" 1
440 1 34 TRP HA 1 34 TRP HE3 . . 4.030 4.110 4.099 4.122 0.092 6 0 "[ . 1 . 2]" 1
441 1 34 TRP HA 1 35 LYS H . . 3.010 2.555 2.364 2.659 . 0 0 "[ . 1 . 2]" 1
442 1 34 TRP HA 1 35 LYS QG . . 4.520 3.497 3.080 3.928 . 0 0 "[ . 1 . 2]" 1
443 1 34 TRP QB 1 34 TRP HD1 . . 3.420 2.976 2.876 3.085 . 0 0 "[ . 1 . 2]" 1
444 1 34 TRP QB 1 34 TRP HE3 . . 3.040 2.226 2.132 2.324 . 0 0 "[ . 1 . 2]" 1
445 1 34 TRP QB 1 35 LYS H . . 3.100 2.286 2.083 2.552 . 0 0 "[ . 1 . 2]" 1
446 1 34 TRP HE3 1 35 LYS H . . 4.600 3.737 3.483 4.044 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS H 1 35 LYS QG . . 3.190 2.321 2.050 2.473 . 0 0 "[ . 1 . 2]" 1
448 1 35 LYS HB2 1 35 LYS QE . . 4.610 3.958 3.595 4.097 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS HB2 1 36 CYS H . . 3.850 2.046 1.834 2.740 . 0 0 "[ . 1 . 2]" 1
450 1 35 LYS HB3 1 36 CYS H . . 3.460 3.523 3.414 3.547 0.087 20 0 "[ . 1 . 2]" 1
451 1 35 LYS QE 1 35 LYS QG . . 3.410 2.130 1.980 2.420 . 0 0 "[ . 1 . 2]" 1
452 1 35 LYS QG 1 36 CYS H . . 4.280 3.205 2.560 4.362 0.082 15 0 "[ . 1 . 2]" 1
453 1 36 CYS H 1 36 CYS HB2 . . 3.300 2.850 2.183 3.505 0.205 16 0 "[ . 1 . 2]" 1
454 1 36 CYS H 1 36 CYS HB3 . . 3.600 3.380 2.764 3.678 0.078 4 0 "[ . 1 . 2]" 1
455 1 36 CYS HA 1 37 CYS H . . 2.870 2.350 2.122 2.703 . 0 0 "[ . 1 . 2]" 1
456 1 37 CYS H 1 37 CYS HB3 . . 3.810 3.096 2.658 3.871 0.061 4 0 "[ . 1 . 2]" 1
457 1 37 CYS HA 1 38 LYS H . . 2.920 2.354 2.244 2.505 . 0 0 "[ . 1 . 2]" 1
458 1 38 LYS H 1 38 LYS QB . . 3.150 2.355 2.161 2.573 . 0 0 "[ . 1 . 2]" 1
459 1 38 LYS HA 1 38 LYS QD . . 4.380 3.803 2.856 4.260 . 0 0 "[ . 1 . 2]" 1
460 1 38 LYS HA 1 38 LYS QG . . 2.990 2.380 2.022 3.127 0.137 18 0 "[ . 1 . 2]" 1
461 1 38 LYS QB 1 38 LYS QE . . 4.380 2.972 1.940 3.649 . 0 0 "[ . 1 . 2]" 1
462 1 38 LYS QE 1 38 LYS QG . . 3.490 2.260 2.021 2.597 . 0 0 "[ . 1 . 2]" 1
463 1 38 LYS QG 1 39 LYS H . . 4.130 4.067 3.692 4.246 0.116 9 0 "[ . 1 . 2]" 1
464 1 39 LYS H 1 39 LYS QB . . 3.160 2.735 2.238 3.073 . 0 0 "[ . 1 . 2]" 1
465 1 39 LYS HA 1 39 LYS HD3 . . 4.560 4.310 2.667 5.511 0.951 1 2 "[+ . 1 -. 2]" 1
466 1 39 LYS QB 1 40 GLY QA . . 4.310 4.017 3.567 4.223 . 0 0 "[ . 1 . 2]" 1
467 1 41 SER H 1 42 GLY HA3 . . 4.450 4.435 3.768 5.084 0.634 5 2 "[ + 1 - . 2]" 1
468 1 41 SER HA 1 41 SER HB2 . . 2.790 2.533 2.206 2.701 . 0 0 "[ . 1 . 2]" 1
469 1 41 SER HA 1 41 SER HB3 . . 2.850 2.369 2.227 2.572 . 0 0 "[ . 1 . 2]" 1
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