NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565138 |
2m7p   |
19200 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m7p
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 626
_Distance_constraint_stats_list.Viol_count 1040
_Distance_constraint_stats_list.Viol_total 1284.630
_Distance_constraint_stats_list.Viol_max 0.959
_Distance_constraint_stats_list.Viol_rms 0.0346
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0051
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 VAL 0.765 0.172 15 0 "[ . 1 . 2]"
1 6 THR 0.970 0.191 19 0 "[ . 1 . 2]"
1 7 CYS 1.116 0.191 19 0 "[ . 1 . 2]"
1 8 SER 5.302 0.413 8 0 "[ . 1 . 2]"
1 9 LEU 9.237 0.572 20 1 "[ . 1 . +]"
1 10 GLY 3.098 0.572 20 1 "[ . 1 . +]"
1 11 TYR 3.501 0.098 19 0 "[ . 1 . 2]"
1 12 PHE 1.853 0.077 9 0 "[ . 1 . 2]"
1 13 PRO 0.526 0.062 20 0 "[ . 1 . 2]"
1 14 CYS 3.252 0.093 14 0 "[ . 1 . 2]"
1 15 GLY 2.168 0.093 14 0 "[ . 1 . 2]"
1 16 ASN 4.932 0.571 4 4 "[* +.* 1 .- 2]"
1 17 ILE 4.473 0.646 18 2 "[ -. 1 . + 2]"
1 18 THR 2.956 0.353 15 0 "[ . 1 . 2]"
1 19 LYS 2.825 0.959 1 3 "[+ . * 1 . -2]"
1 20 CYS 1.134 0.098 19 0 "[ . 1 . 2]"
1 21 ILE 4.327 0.317 19 0 "[ . 1 . 2]"
1 22 PRO 2.106 0.106 2 0 "[ . 1 . 2]"
1 23 GLN 1.999 0.103 17 0 "[ . 1 . 2]"
1 24 PHE 0.296 0.072 19 0 "[ . 1 . 2]"
1 25 TRP 10.951 0.809 14 3 "[ . * +.- 2]"
1 26 ARG 1.785 0.147 17 0 "[ . 1 . 2]"
1 27 CYS 1.757 0.346 14 0 "[ . 1 . 2]"
1 28 ASP 3.376 0.567 10 2 "[ . + .- 2]"
1 29 GLY 0.198 0.058 19 0 "[ . 1 . 2]"
1 30 GLN 1.442 0.179 16 0 "[ . 1 . 2]"
1 31 VAL 7.695 0.387 13 0 "[ . 1 . 2]"
1 32 ASP 4.615 0.809 14 1 "[ . 1 +. 2]"
1 33 CYS 3.408 0.959 1 3 "[+ . * 1 . -2]"
1 34 ASP 0.308 0.059 4 0 "[ . 1 . 2]"
1 35 ASN 7.636 0.755 18 5 "[* *.* 1 .- + 2]"
1 36 GLY 2.734 0.387 13 0 "[ . 1 . 2]"
1 37 SER 1.322 0.755 18 1 "[ . 1 . + 2]"
1 38 ASP 2.130 0.147 17 0 "[ . 1 . 2]"
1 39 GLU 4.233 0.198 8 0 "[ . 1 . 2]"
1 40 GLN 2.736 0.133 17 0 "[ . 1 . 2]"
1 41 GLY 1.371 0.133 17 0 "[ . 1 . 2]"
1 42 CYS 6.048 0.810 10 3 "[ - . + *. 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 5 VAL H 1 5 VAL HB . . 3.590 3.233 2.542 3.762 0.172 15 0 "[ . 1 . 2]" 1
2 1 5 VAL H 1 5 VAL QG . . 4.030 2.213 1.838 2.674 . 0 0 "[ . 1 . 2]" 1
3 1 5 VAL H 1 18 THR MG . . 5.500 4.927 2.789 5.506 0.006 20 0 "[ . 1 . 2]" 1
4 1 5 VAL HA 1 6 THR H . . 2.860 2.231 2.140 2.530 . 0 0 "[ . 1 . 2]" 1
5 1 5 VAL HA 1 6 THR MG . . 5.500 4.831 4.637 5.469 . 0 0 "[ . 1 . 2]" 1
6 1 5 VAL HA 1 18 THR HB . . 5.500 4.988 3.058 5.530 0.030 19 0 "[ . 1 . 2]" 1
7 1 5 VAL HA 1 18 THR MG . . 5.500 4.512 2.067 5.497 . 0 0 "[ . 1 . 2]" 1
8 1 5 VAL HB 1 6 THR H . . 4.180 3.501 2.184 4.219 0.039 20 0 "[ . 1 . 2]" 1
9 1 5 VAL HB 1 6 THR HA . . 4.820 4.491 4.000 4.923 0.103 15 0 "[ . 1 . 2]" 1
10 1 5 VAL HB 1 18 THR HB . . 5.470 3.984 3.023 5.490 0.020 19 0 "[ . 1 . 2]" 1
11 1 5 VAL HB 1 18 THR MG . . 5.390 3.047 1.991 4.663 . 0 0 "[ . 1 . 2]" 1
12 1 5 VAL QG 1 6 THR H . . 4.260 2.675 1.869 3.545 . 0 0 "[ . 1 . 2]" 1
13 1 5 VAL QG 1 6 THR HA . . 5.400 3.736 3.078 4.401 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL QG 1 6 THR MG . . 4.810 4.343 3.769 4.536 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL QG 1 13 PRO HB3 . . 5.500 4.053 2.376 5.374 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL QG 1 18 THR HB . . 5.050 2.387 1.982 3.469 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL QG 1 18 THR MG . . 4.160 2.121 1.675 2.749 . 0 0 "[ . 1 . 2]" 1
18 1 6 THR H 1 6 THR HB . . 4.150 3.543 3.005 4.017 . 0 0 "[ . 1 . 2]" 1
19 1 6 THR H 1 6 THR MG . . 4.510 3.750 3.506 3.925 . 0 0 "[ . 1 . 2]" 1
20 1 6 THR H 1 7 CYS H . . 4.430 4.267 2.619 4.436 0.006 10 0 "[ . 1 . 2]" 1
21 1 6 THR HA 1 6 THR MG . . 3.560 2.082 1.990 2.158 . 0 0 "[ . 1 . 2]" 1
22 1 6 THR HA 1 7 CYS H . . 2.970 2.351 2.151 3.126 0.156 19 0 "[ . 1 . 2]" 1
23 1 6 THR HB 1 7 CYS H . . 3.810 3.010 2.306 3.888 0.078 19 0 "[ . 1 . 2]" 1
24 1 6 THR HB 1 7 CYS HA . . 4.090 4.116 4.067 4.281 0.191 19 0 "[ . 1 . 2]" 1
25 1 6 THR MG 1 7 CYS H . . 4.420 2.842 2.445 4.404 . 0 0 "[ . 1 . 2]" 1
26 1 7 CYS H 1 7 CYS HB2 . . 3.420 2.796 2.647 2.876 . 0 0 "[ . 1 . 2]" 1
27 1 7 CYS H 1 7 CYS HB3 . . 4.120 3.837 3.587 3.875 . 0 0 "[ . 1 . 2]" 1
28 1 7 CYS HA 1 8 SER H . . 2.970 2.709 2.646 2.722 . 0 0 "[ . 1 . 2]" 1
29 1 7 CYS HA 1 8 SER HA . . 5.220 4.372 4.344 4.404 . 0 0 "[ . 1 . 2]" 1
30 1 7 CYS HA 1 11 TYR HB2 . . 5.500 4.442 4.131 4.620 . 0 0 "[ . 1 . 2]" 1
31 1 7 CYS HA 1 20 CYS H . . 5.500 5.482 5.366 5.552 0.052 15 0 "[ . 1 . 2]" 1
32 1 7 CYS HB2 1 8 SER H . . 4.140 2.872 2.767 3.031 . 0 0 "[ . 1 . 2]" 1
33 1 7 CYS HB2 1 11 TYR H . . 5.500 4.924 4.651 5.105 . 0 0 "[ . 1 . 2]" 1
34 1 7 CYS HB2 1 11 TYR HB2 . . 3.760 3.724 3.484 3.812 0.052 19 0 "[ . 1 . 2]" 1
35 1 7 CYS HB2 1 12 PHE HA . . 4.650 3.941 3.451 4.435 . 0 0 "[ . 1 . 2]" 1
36 1 7 CYS HB2 1 13 PRO HD3 . . 4.780 3.999 3.322 4.526 . 0 0 "[ . 1 . 2]" 1
37 1 7 CYS HB3 1 8 SER H . . 3.480 1.990 1.940 2.068 . 0 0 "[ . 1 . 2]" 1
38 1 7 CYS HB3 1 11 TYR HB2 . . 3.290 2.687 2.487 2.835 . 0 0 "[ . 1 . 2]" 1
39 1 7 CYS HB3 1 11 TYR HB3 . . 3.570 2.961 2.710 3.290 . 0 0 "[ . 1 . 2]" 1
40 1 7 CYS HB3 1 11 TYR QD . . 5.430 4.480 4.343 4.647 . 0 0 "[ . 1 . 2]" 1
41 1 7 CYS HB3 1 20 CYS HB2 . . 4.270 3.459 3.305 3.700 . 0 0 "[ . 1 . 2]" 1
42 1 7 CYS HB3 1 20 CYS HB3 . . 3.890 2.076 1.998 2.237 . 0 0 "[ . 1 . 2]" 1
43 1 8 SER H 1 8 SER HB2 . . 3.890 2.645 2.179 3.258 . 0 0 "[ . 1 . 2]" 1
44 1 8 SER H 1 8 SER HB3 . . 3.470 3.388 3.099 3.563 0.093 14 0 "[ . 1 . 2]" 1
45 1 8 SER H 1 11 TYR HB2 . . 4.050 2.055 1.936 2.171 . 0 0 "[ . 1 . 2]" 1
46 1 8 SER H 1 11 TYR HB3 . . 4.790 3.246 3.063 3.687 . 0 0 "[ . 1 . 2]" 1
47 1 8 SER H 1 11 TYR QD . . 5.010 3.658 3.327 3.839 . 0 0 "[ . 1 . 2]" 1
48 1 8 SER H 1 11 TYR QE . . 5.500 5.340 5.120 5.502 0.002 13 0 "[ . 1 . 2]" 1
49 1 8 SER H 1 20 CYS HB2 . . 5.500 4.371 4.182 4.664 . 0 0 "[ . 1 . 2]" 1
50 1 8 SER HA 1 9 LEU H . . 2.820 2.715 2.647 2.780 . 0 0 "[ . 1 . 2]" 1
51 1 8 SER HA 1 9 LEU QD . . 5.500 3.820 3.111 4.695 . 0 0 "[ . 1 . 2]" 1
52 1 8 SER HA 1 9 LEU HG . . 4.340 4.146 3.765 4.469 0.129 16 0 "[ . 1 . 2]" 1
53 1 8 SER HB2 1 9 LEU H . . 3.380 2.977 2.026 3.588 0.208 16 0 "[ . 1 . 2]" 1
54 1 8 SER HB2 1 9 LEU HG . . 5.030 4.821 3.706 5.443 0.413 8 0 "[ . 1 . 2]" 1
55 1 8 SER HB2 1 11 TYR QD . . 4.800 2.350 1.968 3.053 . 0 0 "[ . 1 . 2]" 1
56 1 8 SER HB3 1 9 LEU H . . 3.500 2.299 1.949 2.759 . 0 0 "[ . 1 . 2]" 1
57 1 8 SER HB3 1 9 LEU HG . . 5.330 3.932 2.802 5.031 . 0 0 "[ . 1 . 2]" 1
58 1 8 SER HB3 1 11 TYR QD . . 4.490 2.664 1.977 3.753 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU H 1 9 LEU HB2 . . 3.490 2.958 2.432 3.595 0.105 9 0 "[ . 1 . 2]" 1
60 1 9 LEU H 1 9 LEU HB3 . . 3.550 3.386 2.770 3.583 0.033 3 0 "[ . 1 . 2]" 1
61 1 9 LEU H 1 9 LEU QD . . 4.610 2.229 1.908 2.913 . 0 0 "[ . 1 . 2]" 1
62 1 9 LEU H 1 9 LEU HG . . 2.820 2.129 1.861 2.725 . 0 0 "[ . 1 . 2]" 1
63 1 9 LEU H 1 10 GLY H . . 4.490 2.807 2.348 2.970 . 0 0 "[ . 1 . 2]" 1
64 1 9 LEU H 1 11 TYR QD . . 5.500 3.501 3.285 3.738 . 0 0 "[ . 1 . 2]" 1
65 1 9 LEU H 1 11 TYR QE . . 4.730 4.674 4.387 4.791 0.061 9 0 "[ . 1 . 2]" 1
66 1 9 LEU HA 1 9 LEU HB2 . . 2.960 2.881 2.485 3.014 0.054 3 0 "[ . 1 . 2]" 1
67 1 9 LEU HA 1 9 LEU QD . . 3.720 2.970 2.237 3.421 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HA 1 10 GLY HA2 . . 5.050 4.593 4.505 4.607 . 0 0 "[ . 1 . 2]" 1
69 1 9 LEU QB 1 10 GLY H . . 3.910 2.310 1.918 3.691 . 0 0 "[ . 1 . 2]" 1
70 1 9 LEU QB 1 11 TYR H . . 4.960 4.509 4.394 4.998 0.038 20 0 "[ . 1 . 2]" 1
71 1 9 LEU HB2 1 10 GLY H . . 4.930 2.372 1.930 3.964 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU HB3 1 10 GLY H . . 5.200 3.552 3.055 4.400 . 0 0 "[ . 1 . 2]" 1
73 1 9 LEU HB3 1 10 GLY HA2 . . 5.500 4.912 4.304 5.766 0.266 20 0 "[ . 1 . 2]" 1
74 1 9 LEU HB3 1 10 GLY HA3 . . 5.460 5.200 4.547 6.032 0.572 20 1 "[ . 1 . +]" 1
75 1 9 LEU QD 1 10 GLY H . . 4.330 2.923 2.092 3.679 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU QD 1 11 TYR H . . 5.500 4.901 4.114 5.329 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU QD 1 11 TYR QD . . 4.940 4.253 3.551 4.777 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLY H 1 10 GLY HA3 . . 2.830 2.355 2.338 2.496 . 0 0 "[ . 1 . 2]" 1
79 1 10 GLY H 1 11 TYR H . . 3.280 3.179 2.445 3.322 0.042 17 0 "[ . 1 . 2]" 1
80 1 10 GLY H 1 11 TYR HA . . 5.500 5.193 4.764 5.291 . 0 0 "[ . 1 . 2]" 1
81 1 10 GLY H 1 11 TYR HB2 . . 5.200 4.584 4.084 4.718 . 0 0 "[ . 1 . 2]" 1
82 1 10 GLY H 1 11 TYR QD . . 5.500 2.599 2.208 2.695 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLY HA2 1 11 TYR QD . . 5.500 4.141 4.032 4.254 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLY HA2 1 23 GLN H . . 5.500 4.411 4.235 4.637 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLY HA2 1 23 GLN HB2 . . 4.660 3.912 3.784 3.985 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLY HA2 1 23 GLN HE21 . . 5.500 4.976 4.276 5.500 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLY HA2 1 23 GLN QG . . 4.620 4.560 4.473 4.627 0.007 15 0 "[ . 1 . 2]" 1
88 1 10 GLY HA3 1 11 TYR QD . . 5.040 3.519 3.347 3.717 . 0 0 "[ . 1 . 2]" 1
89 1 10 GLY HA3 1 23 GLN HB2 . . 5.160 4.028 3.556 4.302 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLY HA3 1 23 GLN QG . . 5.500 5.348 4.894 5.526 0.026 16 0 "[ . 1 . 2]" 1
91 1 11 TYR H 1 11 TYR HB2 . . 3.290 2.739 2.643 2.826 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR H 1 11 TYR HB3 . . 4.000 3.831 3.770 3.885 . 0 0 "[ . 1 . 2]" 1
93 1 11 TYR H 1 11 TYR QD . . 3.840 2.866 2.618 2.961 . 0 0 "[ . 1 . 2]" 1
94 1 11 TYR H 1 12 PHE H . . 5.120 4.404 4.320 4.445 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR H 1 12 PHE QD . . 5.290 4.951 4.788 5.055 . 0 0 "[ . 1 . 2]" 1
96 1 11 TYR H 1 23 GLN HB2 . . 5.280 5.315 5.270 5.350 0.070 15 0 "[ . 1 . 2]" 1
97 1 11 TYR H 1 23 GLN QG . . 5.500 5.522 5.505 5.539 0.039 20 0 "[ . 1 . 2]" 1
98 1 11 TYR HA 1 11 TYR QD . . 4.020 3.127 3.083 3.173 . 0 0 "[ . 1 . 2]" 1
99 1 11 TYR HA 1 12 PHE H . . 3.120 2.304 2.210 2.389 . 0 0 "[ . 1 . 2]" 1
100 1 11 TYR HA 1 21 ILE H . . 4.820 4.370 4.163 4.591 . 0 0 "[ . 1 . 2]" 1
101 1 11 TYR HA 1 22 PRO HA . . 3.260 2.536 2.391 2.726 . 0 0 "[ . 1 . 2]" 1
102 1 11 TYR HA 1 22 PRO HB3 . . 5.160 4.753 4.591 4.974 . 0 0 "[ . 1 . 2]" 1
103 1 11 TYR HA 1 23 GLN H . . 3.290 2.865 2.735 2.948 . 0 0 "[ . 1 . 2]" 1
104 1 11 TYR HA 1 23 GLN HA . . 5.490 4.379 4.227 4.475 . 0 0 "[ . 1 . 2]" 1
105 1 11 TYR HA 1 23 GLN QG . . 5.050 4.720 4.497 4.909 . 0 0 "[ . 1 . 2]" 1
106 1 11 TYR HA 1 24 PHE H . . 5.500 5.487 5.385 5.572 0.072 19 0 "[ . 1 . 2]" 1
107 1 11 TYR HB2 1 12 PHE H . . 4.390 3.868 3.644 4.024 . 0 0 "[ . 1 . 2]" 1
108 1 11 TYR HB2 1 20 CYS HB3 . . 4.140 3.515 3.114 3.711 . 0 0 "[ . 1 . 2]" 1
109 1 11 TYR HB2 1 21 ILE H . . 5.080 5.096 4.996 5.140 0.060 17 0 "[ . 1 . 2]" 1
110 1 11 TYR HB3 1 12 PHE H . . 3.490 2.685 2.464 2.976 . 0 0 "[ . 1 . 2]" 1
111 1 11 TYR HB3 1 20 CYS HA . . 4.630 4.042 3.881 4.269 . 0 0 "[ . 1 . 2]" 1
112 1 11 TYR HB3 1 20 CYS HB2 . . 3.830 3.875 3.838 3.928 0.098 19 0 "[ . 1 . 2]" 1
113 1 11 TYR HB3 1 20 CYS HB3 . . 3.480 2.661 2.591 2.745 . 0 0 "[ . 1 . 2]" 1
114 1 11 TYR HB3 1 21 ILE H . . 4.490 3.419 3.303 3.488 . 0 0 "[ . 1 . 2]" 1
115 1 11 TYR HB3 1 22 PRO HA . . 5.250 3.917 3.714 4.084 . 0 0 "[ . 1 . 2]" 1
116 1 11 TYR HB3 1 23 GLN H . . 5.500 5.179 4.958 5.297 . 0 0 "[ . 1 . 2]" 1
117 1 11 TYR QD 1 12 PHE H . . 4.840 3.898 3.722 4.107 . 0 0 "[ . 1 . 2]" 1
118 1 11 TYR QD 1 20 CYS HB2 . . 4.720 4.284 3.969 4.707 . 0 0 "[ . 1 . 2]" 1
119 1 11 TYR QD 1 20 CYS HB3 . . 4.350 3.927 3.668 4.296 . 0 0 "[ . 1 . 2]" 1
120 1 11 TYR QD 1 21 ILE H . . 4.850 3.810 3.536 4.131 . 0 0 "[ . 1 . 2]" 1
121 1 11 TYR QD 1 21 ILE HA . . 4.980 2.689 2.529 2.908 . 0 0 "[ . 1 . 2]" 1
122 1 11 TYR QD 1 22 PRO HA . . 4.800 2.946 2.590 3.184 . 0 0 "[ . 1 . 2]" 1
123 1 11 TYR QD 1 23 GLN H . . 5.320 4.478 4.191 4.615 . 0 0 "[ . 1 . 2]" 1
124 1 11 TYR QE 1 22 PRO HB3 . . 5.130 2.693 2.260 3.053 . 0 0 "[ . 1 . 2]" 1
125 1 11 TYR QE 1 22 PRO HD2 . . 5.500 4.120 3.906 4.386 . 0 0 "[ . 1 . 2]" 1
126 1 11 TYR QE 1 22 PRO HD3 . . 4.250 2.408 2.184 2.734 . 0 0 "[ . 1 . 2]" 1
127 1 11 TYR QE 1 22 PRO HG2 . . 5.220 4.597 4.457 4.752 . 0 0 "[ . 1 . 2]" 1
128 1 11 TYR QE 1 22 PRO HG3 . . 4.920 3.404 3.231 3.544 . 0 0 "[ . 1 . 2]" 1
129 1 12 PHE H 1 12 PHE HB2 . . 4.080 3.892 3.834 3.936 . 0 0 "[ . 1 . 2]" 1
130 1 12 PHE H 1 12 PHE HB3 . . 4.170 3.234 3.112 3.310 . 0 0 "[ . 1 . 2]" 1
131 1 12 PHE H 1 12 PHE QD . . 4.160 2.354 2.142 2.666 . 0 0 "[ . 1 . 2]" 1
132 1 12 PHE H 1 13 PRO HD3 . . 5.500 4.885 4.817 4.927 . 0 0 "[ . 1 . 2]" 1
133 1 12 PHE H 1 20 CYS HB3 . . 5.500 4.070 3.887 4.356 . 0 0 "[ . 1 . 2]" 1
134 1 12 PHE H 1 21 ILE H . . 3.650 2.623 2.477 2.845 . 0 0 "[ . 1 . 2]" 1
135 1 12 PHE H 1 21 ILE HG12 . . 4.680 4.367 4.159 4.681 0.001 12 0 "[ . 1 . 2]" 1
136 1 12 PHE H 1 21 ILE HG13 . . 4.440 3.183 3.026 3.413 . 0 0 "[ . 1 . 2]" 1
137 1 12 PHE H 1 22 PRO HA . . 4.880 4.128 4.042 4.234 . 0 0 "[ . 1 . 2]" 1
138 1 12 PHE H 1 23 GLN H . . 4.510 4.505 4.313 4.564 0.054 15 0 "[ . 1 . 2]" 1
139 1 12 PHE H 1 23 GLN HA . . 5.160 4.787 4.530 4.923 . 0 0 "[ . 1 . 2]" 1
140 1 12 PHE H 1 23 GLN HE22 . . 5.500 3.973 3.611 4.319 . 0 0 "[ . 1 . 2]" 1
141 1 12 PHE H 1 23 GLN QG . . 5.500 5.180 4.904 5.457 . 0 0 "[ . 1 . 2]" 1
142 1 12 PHE HA 1 12 PHE QD . . 4.180 3.707 3.689 3.726 . 0 0 "[ . 1 . 2]" 1
143 1 12 PHE HA 1 13 PRO HB3 . . 5.210 4.842 4.834 4.845 . 0 0 "[ . 1 . 2]" 1
144 1 12 PHE HA 1 13 PRO HD2 . . 3.260 2.379 2.317 2.401 . 0 0 "[ . 1 . 2]" 1
145 1 12 PHE HA 1 13 PRO HD3 . . 3.000 2.290 2.270 2.297 . 0 0 "[ . 1 . 2]" 1
146 1 12 PHE HA 1 13 PRO HG2 . . 5.250 4.495 4.446 4.512 . 0 0 "[ . 1 . 2]" 1
147 1 12 PHE HA 1 23 GLN HE21 . . 4.960 4.470 4.316 4.655 . 0 0 "[ . 1 . 2]" 1
148 1 12 PHE HB2 1 13 PRO HD2 . . 4.200 2.014 1.967 2.149 . 0 0 "[ . 1 . 2]" 1
149 1 12 PHE HB2 1 13 PRO HD3 . . 4.570 3.452 3.400 3.574 . 0 0 "[ . 1 . 2]" 1
150 1 12 PHE HB2 1 21 ILE H . . 5.230 5.275 5.195 5.307 0.077 9 0 "[ . 1 . 2]" 1
151 1 12 PHE HB2 1 23 GLN HE21 . . 4.990 3.894 3.660 4.331 . 0 0 "[ . 1 . 2]" 1
152 1 12 PHE HB2 1 23 GLN HE22 . . 5.500 4.324 3.814 5.045 . 0 0 "[ . 1 . 2]" 1
153 1 12 PHE HB3 1 13 PRO HD2 . . 3.810 3.400 3.315 3.475 . 0 0 "[ . 1 . 2]" 1
154 1 12 PHE HB3 1 13 PRO HD3 . . 4.460 4.367 4.293 4.430 . 0 0 "[ . 1 . 2]" 1
155 1 12 PHE HB3 1 21 ILE H . . 5.410 5.369 5.255 5.442 0.032 20 0 "[ . 1 . 2]" 1
156 1 12 PHE HB3 1 23 GLN HE21 . . 4.870 2.290 2.102 2.656 . 0 0 "[ . 1 . 2]" 1
157 1 12 PHE HB3 1 23 GLN HE22 . . 5.500 2.586 2.057 3.299 . 0 0 "[ . 1 . 2]" 1
158 1 12 PHE QD 1 13 PRO HD2 . . 4.760 3.455 3.286 3.602 . 0 0 "[ . 1 . 2]" 1
159 1 12 PHE QD 1 13 PRO HD3 . . 5.150 4.771 4.662 4.873 . 0 0 "[ . 1 . 2]" 1
160 1 12 PHE QD 1 14 CYS H . . 5.500 5.454 5.223 5.549 0.049 15 0 "[ . 1 . 2]" 1
161 1 12 PHE QD 1 21 ILE H . . 5.500 4.225 4.065 4.307 . 0 0 "[ . 1 . 2]" 1
162 1 12 PHE QD 1 21 ILE MD . . 4.130 3.763 3.673 3.847 . 0 0 "[ . 1 . 2]" 1
163 1 12 PHE QD 1 21 ILE HG12 . . 4.780 4.496 4.307 4.757 . 0 0 "[ . 1 . 2]" 1
164 1 12 PHE QD 1 21 ILE HG13 . . 3.930 3.456 3.308 3.554 . 0 0 "[ . 1 . 2]" 1
165 1 12 PHE QD 1 23 GLN HA . . 3.440 2.738 2.475 2.872 . 0 0 "[ . 1 . 2]" 1
166 1 12 PHE QD 1 23 GLN HE21 . . 2.690 2.170 1.946 2.682 . 0 0 "[ . 1 . 2]" 1
167 1 12 PHE QD 1 23 GLN QG . . 5.500 3.095 2.983 3.346 . 0 0 "[ . 1 . 2]" 1
168 1 12 PHE QD 1 26 ARG HG2 . . 5.310 5.326 5.292 5.349 0.039 4 0 "[ . 1 . 2]" 1
169 1 12 PHE QE 1 21 ILE MD . . 4.370 2.539 2.440 2.590 . 0 0 "[ . 1 . 2]" 1
170 1 12 PHE QE 1 23 GLN HE21 . . 5.080 3.923 3.731 4.253 . 0 0 "[ . 1 . 2]" 1
171 1 12 PHE QE 1 23 GLN HE22 . . 5.500 5.158 4.769 5.499 . 0 0 "[ . 1 . 2]" 1
172 1 12 PHE QE 1 24 PHE H . . 4.920 4.555 4.278 4.800 . 0 0 "[ . 1 . 2]" 1
173 1 12 PHE QE 1 26 ARG H . . 5.500 4.082 3.817 4.405 . 0 0 "[ . 1 . 2]" 1
174 1 12 PHE QE 1 26 ARG HA . . 5.500 3.431 3.187 3.624 . 0 0 "[ . 1 . 2]" 1
175 1 12 PHE QE 1 26 ARG HB2 . . 4.860 2.350 2.094 2.632 . 0 0 "[ . 1 . 2]" 1
176 1 12 PHE QE 1 26 ARG QD . . 4.700 2.764 2.602 2.915 . 0 0 "[ . 1 . 2]" 1
177 1 12 PHE QE 1 27 CYS H . . 5.500 4.638 4.365 4.903 . 0 0 "[ . 1 . 2]" 1
178 1 12 PHE QE 1 38 ASP HA . . 4.080 3.599 3.255 4.070 . 0 0 "[ . 1 . 2]" 1
179 1 12 PHE QE 1 38 ASP QB . . 4.360 3.130 2.614 3.592 . 0 0 "[ . 1 . 2]" 1
180 1 12 PHE HZ 1 21 ILE HG12 . . 5.270 4.560 4.331 4.776 . 0 0 "[ . 1 . 2]" 1
181 1 12 PHE HZ 1 23 GLN HA . . 4.390 4.221 3.983 4.399 0.009 1 0 "[ . 1 . 2]" 1
182 1 12 PHE HZ 1 26 ARG HA . . 5.120 2.299 2.000 2.524 . 0 0 "[ . 1 . 2]" 1
183 1 12 PHE HZ 1 26 ARG HB2 . . 5.020 2.909 2.657 3.138 . 0 0 "[ . 1 . 2]" 1
184 1 12 PHE HZ 1 26 ARG HB3 . . 5.500 4.311 4.100 4.488 . 0 0 "[ . 1 . 2]" 1
185 1 12 PHE HZ 1 26 ARG QD . . 5.500 3.224 3.064 3.561 . 0 0 "[ . 1 . 2]" 1
186 1 12 PHE HZ 1 26 ARG HG2 . . 5.500 4.421 4.031 4.909 . 0 0 "[ . 1 . 2]" 1
187 1 12 PHE HZ 1 26 ARG HG3 . . 5.500 2.880 2.419 3.591 . 0 0 "[ . 1 . 2]" 1
188 1 12 PHE HZ 1 38 ASP QB . . 4.590 3.385 2.972 4.232 . 0 0 "[ . 1 . 2]" 1
189 1 13 PRO HA 1 14 CYS H . . 2.890 2.427 2.342 2.516 . 0 0 "[ . 1 . 2]" 1
190 1 13 PRO HA 1 18 THR MG . . 4.770 3.722 3.360 4.160 . 0 0 "[ . 1 . 2]" 1
191 1 13 PRO HA 1 20 CYS HA . . 3.190 2.333 2.113 2.477 . 0 0 "[ . 1 . 2]" 1
192 1 13 PRO HA 1 21 ILE H . . 4.250 3.742 3.554 3.917 . 0 0 "[ . 1 . 2]" 1
193 1 13 PRO HB2 1 14 CYS H . . 4.310 2.551 2.336 2.765 . 0 0 "[ . 1 . 2]" 1
194 1 13 PRO HB2 1 15 GLY H . . 4.500 4.241 4.078 4.424 . 0 0 "[ . 1 . 2]" 1
195 1 13 PRO HB2 1 18 THR MG . . 3.960 2.471 1.994 3.173 . 0 0 "[ . 1 . 2]" 1
196 1 13 PRO HB2 1 19 LYS H . . 5.500 5.193 4.834 5.516 0.016 17 0 "[ . 1 . 2]" 1
197 1 13 PRO HB3 1 14 CYS H . . 4.350 3.423 3.319 3.532 . 0 0 "[ . 1 . 2]" 1
198 1 13 PRO HB3 1 18 THR HA . . 5.250 3.412 3.023 3.749 . 0 0 "[ . 1 . 2]" 1
199 1 13 PRO HB3 1 18 THR MG . . 3.880 2.242 1.896 2.826 . 0 0 "[ . 1 . 2]" 1
200 1 13 PRO HB3 1 20 CYS HA . . 4.910 4.194 3.950 4.459 . 0 0 "[ . 1 . 2]" 1
201 1 13 PRO HD3 1 14 CYS H . . 5.500 5.521 5.470 5.562 0.062 20 0 "[ . 1 . 2]" 1
202 1 14 CYS H 1 14 CYS HB2 . . 3.580 2.382 2.296 2.440 . 0 0 "[ . 1 . 2]" 1
203 1 14 CYS H 1 14 CYS HB3 . . 4.070 3.611 3.550 3.654 . 0 0 "[ . 1 . 2]" 1
204 1 14 CYS H 1 15 GLY H . . 4.580 2.652 2.507 2.748 . 0 0 "[ . 1 . 2]" 1
205 1 14 CYS H 1 18 THR HA . . 5.220 2.515 2.095 3.030 . 0 0 "[ . 1 . 2]" 1
206 1 14 CYS H 1 18 THR MG . . 4.700 3.626 3.044 4.151 . 0 0 "[ . 1 . 2]" 1
207 1 14 CYS H 1 19 LYS H . . 4.010 3.266 2.978 3.432 . 0 0 "[ . 1 . 2]" 1
208 1 14 CYS H 1 19 LYS HA . . 5.500 4.744 4.470 4.932 . 0 0 "[ . 1 . 2]" 1
209 1 14 CYS H 1 19 LYS QG . . 5.500 5.421 5.052 5.512 0.012 15 0 "[ . 1 . 2]" 1
210 1 14 CYS H 1 20 CYS HA . . 4.680 4.287 3.907 4.526 . 0 0 "[ . 1 . 2]" 1
211 1 14 CYS H 1 21 ILE H . . 5.500 5.324 4.993 5.504 0.004 2 0 "[ . 1 . 2]" 1
212 1 14 CYS H 1 21 ILE MG . . 5.500 5.432 5.060 5.532 0.032 16 0 "[ . 1 . 2]" 1
213 1 14 CYS HA 1 15 GLY H . . 3.480 3.561 3.556 3.573 0.093 14 0 "[ . 1 . 2]" 1
214 1 14 CYS HA 1 33 CYS QB . . 4.310 4.162 3.896 4.373 0.063 12 0 "[ . 1 . 2]" 1
215 1 14 CYS HB2 1 15 GLY H . . 3.760 2.177 2.060 2.306 . 0 0 "[ . 1 . 2]" 1
216 1 14 CYS HB2 1 18 THR HA . . 5.320 3.868 3.424 4.394 . 0 0 "[ . 1 . 2]" 1
217 1 14 CYS HB2 1 19 LYS H . . 5.170 2.791 2.569 3.009 . 0 0 "[ . 1 . 2]" 1
218 1 14 CYS HB2 1 19 LYS HB2 . . 4.480 3.737 2.510 4.167 . 0 0 "[ . 1 . 2]" 1
219 1 14 CYS HB2 1 19 LYS HB3 . . 4.650 2.850 2.326 3.273 . 0 0 "[ . 1 . 2]" 1
220 1 14 CYS HB2 1 33 CYS QB . . 4.030 4.056 4.028 4.081 0.051 15 0 "[ . 1 . 2]" 1
221 1 14 CYS HB3 1 15 GLY H . . 4.080 2.667 2.505 2.855 . 0 0 "[ . 1 . 2]" 1
222 1 14 CYS HB3 1 17 ILE HB . . 5.470 5.058 4.487 5.430 . 0 0 "[ . 1 . 2]" 1
223 1 14 CYS HB3 1 19 LYS H . . 5.500 4.417 4.126 4.655 . 0 0 "[ . 1 . 2]" 1
224 1 14 CYS HB3 1 19 LYS HB2 . . 5.500 5.094 3.849 5.508 0.008 20 0 "[ . 1 . 2]" 1
225 1 14 CYS HB3 1 19 LYS HB3 . . 5.030 4.134 3.651 4.571 . 0 0 "[ . 1 . 2]" 1
226 1 14 CYS HB3 1 21 ILE MD . . 5.120 4.774 4.491 4.978 . 0 0 "[ . 1 . 2]" 1
227 1 14 CYS HB3 1 33 CYS QB . . 3.670 2.678 2.560 2.771 . 0 0 "[ . 1 . 2]" 1
228 1 15 GLY H 1 16 ASN H . . 5.150 3.719 3.400 3.937 . 0 0 "[ . 1 . 2]" 1
229 1 15 GLY H 1 17 ILE H . . 4.640 3.864 3.442 4.131 . 0 0 "[ . 1 . 2]" 1
230 1 15 GLY H 1 17 ILE HB . . 5.500 4.168 3.817 4.500 . 0 0 "[ . 1 . 2]" 1
231 1 15 GLY H 1 18 THR HA . . 5.500 2.921 2.505 3.415 . 0 0 "[ . 1 . 2]" 1
232 1 15 GLY H 1 18 THR MG . . 5.500 4.402 3.855 4.982 . 0 0 "[ . 1 . 2]" 1
233 1 15 GLY H 1 33 CYS QB . . 5.150 5.111 4.897 5.179 0.029 6 0 "[ . 1 . 2]" 1
234 1 15 GLY H 1 35 ASN HD21 . . 5.110 3.446 1.889 3.890 . 0 0 "[ . 1 . 2]" 1
235 1 15 GLY H 1 35 ASN HD22 . . 4.550 2.015 1.892 2.630 . 0 0 "[ . 1 . 2]" 1
236 1 15 GLY HA2 1 17 ILE H . . 5.500 5.193 4.816 5.497 . 0 0 "[ . 1 . 2]" 1
237 1 15 GLY HA2 1 18 THR HA . . 4.640 4.395 4.093 4.688 0.048 18 0 "[ . 1 . 2]" 1
238 1 15 GLY HA2 1 35 ASN HD21 . . 5.290 4.771 3.727 4.986 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLY HA2 1 35 ASN HD22 . . 4.800 3.880 3.607 4.608 . 0 0 "[ . 1 . 2]" 1
240 1 15 GLY HA3 1 17 ILE H . . 5.110 4.234 3.838 4.571 . 0 0 "[ . 1 . 2]" 1
241 1 15 GLY HA3 1 35 ASN H . . 4.770 4.783 4.734 4.822 0.052 17 0 "[ . 1 . 2]" 1
242 1 15 GLY HA3 1 35 ASN HD21 . . 5.120 3.265 2.467 3.480 . 0 0 "[ . 1 . 2]" 1
243 1 15 GLY HA3 1 35 ASN HD22 . . 5.140 2.691 2.326 3.404 . 0 0 "[ . 1 . 2]" 1
244 1 16 ASN H 1 16 ASN HD22 . . 5.500 3.074 2.803 3.396 . 0 0 "[ . 1 . 2]" 1
245 1 16 ASN H 1 17 ILE H . . 4.040 2.903 2.568 3.106 . 0 0 "[ . 1 . 2]" 1
246 1 16 ASN H 1 35 ASN HD21 . . 5.500 2.815 2.179 3.782 . 0 0 "[ . 1 . 2]" 1
247 1 16 ASN HA 1 16 ASN HB3 . . 2.990 2.386 2.302 2.496 . 0 0 "[ . 1 . 2]" 1
248 1 16 ASN HA 1 16 ASN HD22 . . 5.500 4.796 4.516 5.130 . 0 0 "[ . 1 . 2]" 1
249 1 16 ASN QB 1 16 ASN HD22 . . 3.480 3.281 3.225 3.319 . 0 0 "[ . 1 . 2]" 1
250 1 16 ASN QB 1 17 ILE H . . 3.620 2.552 1.957 3.373 . 0 0 "[ . 1 . 2]" 1
251 1 16 ASN QB 1 18 THR H . . 5.500 4.387 4.086 4.840 . 0 0 "[ . 1 . 2]" 1
252 1 16 ASN HB2 1 17 ILE H . . 4.540 2.661 1.971 3.750 . 0 0 "[ . 1 . 2]" 1
253 1 16 ASN HB2 1 17 ILE HA . . 5.500 4.153 3.959 4.575 . 0 0 "[ . 1 . 2]" 1
254 1 16 ASN HB2 1 17 ILE HG12 . . 5.480 4.318 3.006 5.532 0.052 15 0 "[ . 1 . 2]" 1
255 1 16 ASN HB2 1 17 ILE HG13 . . 5.500 4.013 2.759 5.622 0.122 17 0 "[ . 1 . 2]" 1
256 1 16 ASN HB3 1 17 ILE H . . 4.330 3.628 3.311 4.033 . 0 0 "[ . 1 . 2]" 1
257 1 16 ASN HD21 1 17 ILE MD . . 5.500 4.290 2.981 5.023 . 0 0 "[ . 1 . 2]" 1
258 1 16 ASN HD21 1 35 ASN HA . . 4.850 4.402 3.843 4.939 0.089 17 0 "[ . 1 . 2]" 1
259 1 16 ASN HD21 1 35 ASN HB2 . . 5.500 3.609 3.085 4.422 . 0 0 "[ . 1 . 2]" 1
260 1 16 ASN HD21 1 35 ASN HD21 . . 5.170 2.969 2.016 4.990 . 0 0 "[ . 1 . 2]" 1
261 1 16 ASN HD21 1 35 ASN HD22 . . 5.500 4.079 3.341 5.535 0.035 7 0 "[ . 1 . 2]" 1
262 1 16 ASN HD22 1 35 ASN HA . . 4.330 4.335 3.238 4.873 0.543 4 4 "[* +.* 1 .- 2]" 1
263 1 16 ASN HD22 1 35 ASN HB2 . . 5.500 3.614 2.993 4.511 . 0 0 "[ . 1 . 2]" 1
264 1 16 ASN HD22 1 35 ASN HD21 . . 4.610 3.619 2.036 5.181 0.571 4 1 "[ +. 1 . 2]" 1
265 1 16 ASN HD22 1 35 ASN HD22 . . 5.500 4.753 3.690 5.512 0.012 16 0 "[ . 1 . 2]" 1
266 1 17 ILE H 1 17 ILE HB . . 3.450 2.619 2.516 2.711 . 0 0 "[ . 1 . 2]" 1
267 1 17 ILE H 1 17 ILE MD . . 4.290 2.943 2.009 3.670 . 0 0 "[ . 1 . 2]" 1
268 1 17 ILE H 1 17 ILE HG12 . . 4.010 2.997 1.935 3.795 . 0 0 "[ . 1 . 2]" 1
269 1 17 ILE H 1 17 ILE HG13 . . 3.870 2.630 1.932 3.656 . 0 0 "[ . 1 . 2]" 1
270 1 17 ILE H 1 17 ILE MG . . 4.470 3.763 3.754 3.776 . 0 0 "[ . 1 . 2]" 1
271 1 17 ILE H 1 18 THR HA . . 5.390 4.876 4.739 4.971 . 0 0 "[ . 1 . 2]" 1
272 1 17 ILE HA 1 17 ILE MD . . 4.610 3.220 1.961 3.853 . 0 0 "[ . 1 . 2]" 1
273 1 17 ILE HA 1 17 ILE HG12 . . 4.240 3.003 2.504 3.444 . 0 0 "[ . 1 . 2]" 1
274 1 17 ILE HA 1 17 ILE HG13 . . 3.900 3.097 2.313 3.756 . 0 0 "[ . 1 . 2]" 1
275 1 17 ILE HA 1 17 ILE MG . . 3.570 2.287 2.173 2.380 . 0 0 "[ . 1 . 2]" 1
276 1 17 ILE HA 1 18 THR H . . 3.390 3.427 3.366 3.449 0.059 7 0 "[ . 1 . 2]" 1
277 1 17 ILE HB 1 18 THR H . . 3.910 3.111 3.034 3.301 . 0 0 "[ . 1 . 2]" 1
278 1 17 ILE HB 1 19 LYS QD . . 5.500 4.556 3.898 5.507 0.007 18 0 "[ . 1 . 2]" 1
279 1 17 ILE HB 1 34 ASP HB2 . . 5.500 3.015 2.401 4.148 . 0 0 "[ . 1 . 2]" 1
280 1 17 ILE HB 1 35 ASN HD21 . . 5.500 3.568 2.939 4.276 . 0 0 "[ . 1 . 2]" 1
281 1 17 ILE MD 1 19 LYS HB2 . . 5.240 4.246 3.520 5.211 . 0 0 "[ . 1 . 2]" 1
282 1 17 ILE MD 1 34 ASP HB2 . . 4.660 3.043 1.933 4.576 . 0 0 "[ . 1 . 2]" 1
283 1 17 ILE MD 1 35 ASN H . . 5.500 4.695 3.580 5.548 0.048 5 0 "[ . 1 . 2]" 1
284 1 17 ILE MD 1 35 ASN HD21 . . 5.310 3.422 1.903 4.210 . 0 0 "[ . 1 . 2]" 1
285 1 17 ILE MD 1 35 ASN HD22 . . 5.500 4.050 2.245 5.095 . 0 0 "[ . 1 . 2]" 1
286 1 17 ILE HG12 1 18 THR H . . 5.090 4.886 4.125 5.443 0.353 15 0 "[ . 1 . 2]" 1
287 1 17 ILE HG12 1 35 ASN HD21 . . 5.500 4.230 2.295 6.146 0.646 18 2 "[ -. 1 . + 2]" 1
288 1 17 ILE HG12 1 35 ASN HD22 . . 5.500 4.823 3.401 5.531 0.031 15 0 "[ . 1 . 2]" 1
289 1 17 ILE HG13 1 17 ILE MG . . 3.570 2.807 2.143 3.203 . 0 0 "[ . 1 . 2]" 1
290 1 17 ILE HG13 1 35 ASN HD22 . . 5.500 4.398 3.522 5.226 . 0 0 "[ . 1 . 2]" 1
291 1 17 ILE MG 1 18 THR H . . 4.260 3.888 3.722 4.067 . 0 0 "[ . 1 . 2]" 1
292 1 17 ILE MG 1 18 THR HB . . 5.500 4.545 4.288 4.809 . 0 0 "[ . 1 . 2]" 1
293 1 17 ILE MG 1 19 LYS H . . 5.500 2.868 2.598 3.191 . 0 0 "[ . 1 . 2]" 1
294 1 17 ILE MG 1 19 LYS HB2 . . 5.120 2.486 2.021 3.517 . 0 0 "[ . 1 . 2]" 1
295 1 17 ILE MG 1 19 LYS HB3 . . 5.170 3.922 3.563 4.653 . 0 0 "[ . 1 . 2]" 1
296 1 17 ILE MG 1 19 LYS QD . . 5.500 3.708 2.438 4.775 . 0 0 "[ . 1 . 2]" 1
297 1 18 THR H 1 18 THR MG . . 4.150 3.673 3.519 3.855 . 0 0 "[ . 1 . 2]" 1
298 1 18 THR H 1 19 LYS H . . 4.500 2.652 2.590 2.708 . 0 0 "[ . 1 . 2]" 1
299 1 18 THR H 1 19 LYS HB2 . . 5.500 4.754 4.385 5.012 . 0 0 "[ . 1 . 2]" 1
300 1 18 THR HA 1 18 THR MG . . 3.610 2.034 1.944 2.187 . 0 0 "[ . 1 . 2]" 1
301 1 18 THR HA 1 19 LYS H . . 3.020 3.011 2.966 3.038 0.018 18 0 "[ . 1 . 2]" 1
302 1 18 THR HB 1 19 LYS H . . 4.740 4.033 3.978 4.109 . 0 0 "[ . 1 . 2]" 1
303 1 18 THR MG 1 19 LYS H . . 4.400 4.372 4.292 4.403 0.003 6 0 "[ . 1 . 2]" 1
304 1 18 THR MG 1 19 LYS HA . . 5.500 5.078 4.720 5.352 . 0 0 "[ . 1 . 2]" 1
305 1 19 LYS H 1 19 LYS HB2 . . 3.610 2.345 2.066 2.588 . 0 0 "[ . 1 . 2]" 1
306 1 19 LYS H 1 19 LYS HB3 . . 4.190 2.747 2.462 3.320 . 0 0 "[ . 1 . 2]" 1
307 1 19 LYS H 1 19 LYS QG . . 4.120 3.880 3.325 3.992 . 0 0 "[ . 1 . 2]" 1
308 1 19 LYS H 1 20 CYS H . . 4.980 4.463 4.391 4.567 . 0 0 "[ . 1 . 2]" 1
309 1 19 LYS HA 1 19 LYS QG . . 3.730 2.337 2.009 2.554 . 0 0 "[ . 1 . 2]" 1
310 1 19 LYS HA 1 20 CYS H . . 2.860 2.144 2.139 2.164 . 0 0 "[ . 1 . 2]" 1
311 1 19 LYS HB3 1 20 CYS H . . 4.470 4.188 3.810 4.425 . 0 0 "[ . 1 . 2]" 1
312 1 19 LYS QD 1 21 ILE MG . . 5.500 3.326 1.889 4.708 . 0 0 "[ . 1 . 2]" 1
313 1 19 LYS HE2 1 21 ILE MG . . 5.100 3.643 1.966 5.417 0.317 19 0 "[ . 1 . 2]" 1
314 1 19 LYS HE2 1 33 CYS HA . . 5.500 4.721 2.940 6.459 0.959 1 3 "[+ . * 1 . -2]" 1
315 1 19 LYS QG 1 20 CYS H . . 4.020 2.988 2.727 3.450 . 0 0 "[ . 1 . 2]" 1
316 1 19 LYS QG 1 21 ILE MG . . 4.420 2.978 2.185 4.325 . 0 0 "[ . 1 . 2]" 1
317 1 20 CYS H 1 20 CYS HB2 . . 3.310 2.618 2.555 2.676 . 0 0 "[ . 1 . 2]" 1
318 1 20 CYS H 1 20 CYS HB3 . . 3.910 3.617 3.593 3.652 . 0 0 "[ . 1 . 2]" 1
319 1 20 CYS H 1 21 ILE H . . 5.420 4.498 4.423 4.574 . 0 0 "[ . 1 . 2]" 1
320 1 20 CYS H 1 21 ILE MG . . 5.220 4.509 4.350 4.650 . 0 0 "[ . 1 . 2]" 1
321 1 20 CYS HA 1 21 ILE H . . 2.960 2.149 2.139 2.196 . 0 0 "[ . 1 . 2]" 1
322 1 20 CYS HA 1 21 ILE HG12 . . 5.500 3.784 3.529 4.010 . 0 0 "[ . 1 . 2]" 1
323 1 20 CYS HA 1 21 ILE MG . . 4.820 4.079 3.994 4.229 . 0 0 "[ . 1 . 2]" 1
324 1 20 CYS HB2 1 21 ILE H . . 4.230 4.134 3.953 4.255 0.025 20 0 "[ . 1 . 2]" 1
325 1 20 CYS HB3 1 21 ILE H . . 4.130 3.368 3.051 3.586 . 0 0 "[ . 1 . 2]" 1
326 1 20 CYS HB3 1 21 ILE MG . . 5.500 5.280 5.137 5.473 . 0 0 "[ . 1 . 2]" 1
327 1 21 ILE H 1 21 ILE MD . . 4.240 3.814 3.716 3.869 . 0 0 "[ . 1 . 2]" 1
328 1 21 ILE H 1 21 ILE HG12 . . 3.790 2.451 2.200 2.833 . 0 0 "[ . 1 . 2]" 1
329 1 21 ILE H 1 21 ILE HG13 . . 3.150 2.363 2.117 2.609 . 0 0 "[ . 1 . 2]" 1
330 1 21 ILE H 1 21 ILE MG . . 4.390 3.193 3.055 3.406 . 0 0 "[ . 1 . 2]" 1
331 1 21 ILE HA 1 21 ILE MG . . 3.470 2.210 2.070 2.292 . 0 0 "[ . 1 . 2]" 1
332 1 21 ILE HA 1 22 PRO HD2 . . 3.590 2.465 2.453 2.486 . 0 0 "[ . 1 . 2]" 1
333 1 21 ILE HA 1 22 PRO HD3 . . 3.100 2.327 2.321 2.337 . 0 0 "[ . 1 . 2]" 1
334 1 21 ILE HA 1 22 PRO HG2 . . 5.190 4.566 4.556 4.583 . 0 0 "[ . 1 . 2]" 1
335 1 21 ILE HA 1 22 PRO HG3 . . 5.500 4.513 4.504 4.526 . 0 0 "[ . 1 . 2]" 1
336 1 21 ILE HB 1 21 ILE MD . . 3.610 2.334 2.291 2.385 . 0 0 "[ . 1 . 2]" 1
337 1 21 ILE HB 1 22 PRO HD2 . . 3.500 1.904 1.874 1.920 . 0 0 "[ . 1 . 2]" 1
338 1 21 ILE HB 1 22 PRO HD3 . . 3.810 3.367 3.340 3.381 . 0 0 "[ . 1 . 2]" 1
339 1 21 ILE HB 1 25 TRP H . . 5.500 4.619 4.548 4.668 . 0 0 "[ . 1 . 2]" 1
340 1 21 ILE HB 1 25 TRP HB2 . . 4.650 3.205 3.150 3.281 . 0 0 "[ . 1 . 2]" 1
341 1 21 ILE HB 1 25 TRP HB3 . . 4.940 4.747 4.681 4.833 . 0 0 "[ . 1 . 2]" 1
342 1 21 ILE HB 1 25 TRP HE3 . . 4.660 2.576 2.518 2.621 . 0 0 "[ . 1 . 2]" 1
343 1 21 ILE HB 1 25 TRP HZ3 . . 3.870 3.873 3.723 3.921 0.051 16 0 "[ . 1 . 2]" 1
344 1 21 ILE MD 1 25 TRP H . . 4.990 4.235 4.088 4.560 . 0 0 "[ . 1 . 2]" 1
345 1 21 ILE MD 1 25 TRP HB2 . . 4.010 2.654 2.564 2.746 . 0 0 "[ . 1 . 2]" 1
346 1 21 ILE MD 1 25 TRP HB3 . . 3.970 3.733 3.679 3.801 . 0 0 "[ . 1 . 2]" 1
347 1 21 ILE MD 1 26 ARG H . . 5.500 4.981 4.767 5.330 . 0 0 "[ . 1 . 2]" 1
348 1 21 ILE MD 1 26 ARG HA . . 5.080 3.832 3.638 4.014 . 0 0 "[ . 1 . 2]" 1
349 1 21 ILE MD 1 27 CYS H . . 5.500 5.175 4.861 5.519 0.019 7 0 "[ . 1 . 2]" 1
350 1 21 ILE MD 1 32 ASP HB2 . . 3.950 3.695 3.408 4.145 0.195 14 0 "[ . 1 . 2]" 1
351 1 21 ILE MD 1 33 CYS H . . 4.920 3.897 3.698 4.160 . 0 0 "[ . 1 . 2]" 1
352 1 21 ILE MD 1 33 CYS QB . . 5.030 3.807 3.597 4.101 . 0 0 "[ . 1 . 2]" 1
353 1 21 ILE MD 1 38 ASP H . . 5.170 4.732 4.344 5.131 . 0 0 "[ . 1 . 2]" 1
354 1 21 ILE MD 1 38 ASP HA . . 4.950 4.618 4.164 4.969 0.019 17 0 "[ . 1 . 2]" 1
355 1 21 ILE MD 1 38 ASP QB . . 3.850 2.818 2.646 3.074 . 0 0 "[ . 1 . 2]" 1
356 1 21 ILE HG12 1 22 PRO HD2 . . 5.500 4.737 4.703 4.755 . 0 0 "[ . 1 . 2]" 1
357 1 21 ILE HG12 1 25 TRP HB2 . . 5.290 5.357 5.334 5.377 0.087 20 0 "[ . 1 . 2]" 1
358 1 21 ILE MG 1 25 TRP HE3 . . 4.180 2.583 2.306 2.731 . 0 0 "[ . 1 . 2]" 1
359 1 21 ILE MG 1 25 TRP HH2 . . 4.730 4.712 4.507 4.783 0.053 16 0 "[ . 1 . 2]" 1
360 1 21 ILE MG 1 25 TRP HZ3 . . 3.840 2.682 2.408 2.791 . 0 0 "[ . 1 . 2]" 1
361 1 21 ILE MG 1 32 ASP HB2 . . 4.570 3.689 2.964 4.234 . 0 0 "[ . 1 . 2]" 1
362 1 22 PRO HA 1 23 GLN H . . 2.820 2.176 2.169 2.180 . 0 0 "[ . 1 . 2]" 1
363 1 22 PRO HA 1 23 GLN HA . . 5.070 4.348 4.344 4.353 . 0 0 "[ . 1 . 2]" 1
364 1 22 PRO HA 1 23 GLN HB2 . . 5.450 4.245 4.228 4.267 . 0 0 "[ . 1 . 2]" 1
365 1 22 PRO HA 1 23 GLN QG . . 5.500 5.370 5.313 5.419 . 0 0 "[ . 1 . 2]" 1
366 1 22 PRO HA 1 24 PHE H . . 4.950 3.770 3.751 3.800 . 0 0 "[ . 1 . 2]" 1
367 1 22 PRO HB2 1 23 GLN H . . 4.410 3.365 3.344 3.406 . 0 0 "[ . 1 . 2]" 1
368 1 22 PRO HB2 1 24 PHE H . . 3.870 2.437 2.422 2.459 . 0 0 "[ . 1 . 2]" 1
369 1 22 PRO HB2 1 24 PHE HB2 . . 5.260 2.440 2.343 2.863 . 0 0 "[ . 1 . 2]" 1
370 1 22 PRO HB2 1 25 TRP H . . 3.920 3.623 3.597 3.642 . 0 0 "[ . 1 . 2]" 1
371 1 22 PRO HB2 1 25 TRP HD1 . . 5.110 5.111 5.059 5.145 0.035 16 0 "[ . 1 . 2]" 1
372 1 22 PRO HB2 1 25 TRP HE1 . . 4.810 4.905 4.886 4.916 0.106 2 0 "[ . 1 . 2]" 1
373 1 22 PRO HB3 1 23 GLN H . . 4.070 3.890 3.876 3.916 . 0 0 "[ . 1 . 2]" 1
374 1 22 PRO HB3 1 24 PHE H . . 4.180 4.027 4.016 4.044 . 0 0 "[ . 1 . 2]" 1
375 1 22 PRO HB3 1 24 PHE HB2 . . 5.490 4.084 3.999 4.449 . 0 0 "[ . 1 . 2]" 1
376 1 22 PRO HB3 1 25 TRP H . . 5.280 5.138 5.115 5.159 . 0 0 "[ . 1 . 2]" 1
377 1 22 PRO HD2 1 25 TRP HZ3 . . 4.720 2.989 2.934 3.027 . 0 0 "[ . 1 . 2]" 1
378 1 22 PRO HD3 1 25 TRP HH2 . . 5.500 4.350 4.263 4.386 . 0 0 "[ . 1 . 2]" 1
379 1 22 PRO HG2 1 23 GLN H . . 5.230 4.889 4.878 4.907 . 0 0 "[ . 1 . 2]" 1
380 1 22 PRO HG2 1 24 PHE H . . 5.500 3.901 3.865 3.939 . 0 0 "[ . 1 . 2]" 1
381 1 22 PRO HG2 1 25 TRP HE1 . . 5.260 3.880 3.829 3.933 . 0 0 "[ . 1 . 2]" 1
382 1 22 PRO HG2 1 25 TRP HE3 . . 4.320 3.505 3.427 3.568 . 0 0 "[ . 1 . 2]" 1
383 1 22 PRO HG3 1 24 PHE H . . 5.500 4.933 4.910 4.964 . 0 0 "[ . 1 . 2]" 1
384 1 22 PRO HG3 1 25 TRP H . . 5.400 4.914 4.873 4.949 . 0 0 "[ . 1 . 2]" 1
385 1 22 PRO HG3 1 25 TRP HE1 . . 4.450 4.397 4.338 4.444 . 0 0 "[ . 1 . 2]" 1
386 1 22 PRO HG3 1 25 TRP HH2 . . 5.500 3.695 3.614 3.770 . 0 0 "[ . 1 . 2]" 1
387 1 22 PRO HG3 1 25 TRP HZ2 . . 5.290 3.527 3.475 3.555 . 0 0 "[ . 1 . 2]" 1
388 1 23 GLN H 1 23 GLN HB2 . . 2.940 2.111 2.088 2.131 . 0 0 "[ . 1 . 2]" 1
389 1 23 GLN H 1 23 GLN HB3 . . 3.560 3.413 3.376 3.441 . 0 0 "[ . 1 . 2]" 1
390 1 23 GLN H 1 23 GLN HE22 . . 5.500 4.394 4.265 4.524 . 0 0 "[ . 1 . 2]" 1
391 1 23 GLN H 1 23 GLN QG . . 3.600 3.593 3.542 3.625 0.025 16 0 "[ . 1 . 2]" 1
392 1 23 GLN H 1 24 PHE H . . 3.570 2.781 2.765 2.794 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLN H 1 25 TRP H . . 5.500 4.399 4.383 4.420 . 0 0 "[ . 1 . 2]" 1
394 1 23 GLN H 1 26 ARG QD . . 5.500 5.122 4.971 5.225 . 0 0 "[ . 1 . 2]" 1
395 1 23 GLN HA 1 23 GLN HB2 . . 3.020 2.903 2.883 2.917 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLN HA 1 23 GLN HE21 . . 3.660 3.259 3.063 3.490 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLN HA 1 23 GLN QG . . 3.910 2.081 2.015 2.187 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLN HA 1 25 TRP H . . 4.750 3.634 3.597 3.690 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLN HA 1 26 ARG H . . 4.350 4.115 3.899 4.453 0.103 17 0 "[ . 1 . 2]" 1
400 1 23 GLN HA 1 26 ARG HB2 . . 4.290 2.423 2.297 2.572 . 0 0 "[ . 1 . 2]" 1
401 1 23 GLN HA 1 26 ARG QD . . 4.460 2.849 2.673 2.938 . 0 0 "[ . 1 . 2]" 1
402 1 23 GLN HA 1 26 ARG HG2 . . 5.320 5.029 4.880 5.170 . 0 0 "[ . 1 . 2]" 1
403 1 23 GLN HB2 1 24 PHE H . . 3.550 3.291 3.247 3.348 . 0 0 "[ . 1 . 2]" 1
404 1 23 GLN HB2 1 25 TRP H . . 5.500 5.271 5.243 5.312 . 0 0 "[ . 1 . 2]" 1
405 1 23 GLN HB3 1 24 PHE H . . 4.430 3.394 3.362 3.425 . 0 0 "[ . 1 . 2]" 1
406 1 23 GLN HE21 1 26 ARG HB2 . . 5.500 4.454 4.314 4.642 . 0 0 "[ . 1 . 2]" 1
407 1 23 GLN HE21 1 26 ARG HB3 . . 5.500 5.475 5.245 5.515 0.015 19 0 "[ . 1 . 2]" 1
408 1 23 GLN QG 1 26 ARG H . . 5.500 5.120 4.907 5.465 . 0 0 "[ . 1 . 2]" 1
409 1 23 GLN QG 1 26 ARG HB3 . . 3.830 3.654 3.434 3.827 . 0 0 "[ . 1 . 2]" 1
410 1 23 GLN QG 1 26 ARG QD . . 4.740 2.170 1.971 2.495 . 0 0 "[ . 1 . 2]" 1
411 1 24 PHE H 1 24 PHE HB2 . . 3.340 2.119 2.069 2.203 . 0 0 "[ . 1 . 2]" 1
412 1 24 PHE H 1 24 PHE HB3 . . 3.480 3.330 2.924 3.461 . 0 0 "[ . 1 . 2]" 1
413 1 24 PHE H 1 25 TRP H . . 3.440 2.751 2.735 2.767 . 0 0 "[ . 1 . 2]" 1
414 1 24 PHE H 1 25 TRP HD1 . . 5.500 4.844 4.810 4.894 . 0 0 "[ . 1 . 2]" 1
415 1 24 PHE H 1 26 ARG H . . 5.280 4.760 4.590 5.085 . 0 0 "[ . 1 . 2]" 1
416 1 24 PHE HA 1 26 ARG H . . 4.980 3.935 3.819 4.171 . 0 0 "[ . 1 . 2]" 1
417 1 24 PHE HB2 1 25 TRP HD1 . . 5.420 3.825 3.648 4.248 . 0 0 "[ . 1 . 2]" 1
418 1 24 PHE HB2 1 25 TRP HE1 . . 5.500 3.973 3.727 4.433 . 0 0 "[ . 1 . 2]" 1
419 1 24 PHE HB3 1 25 TRP H . . 4.800 3.308 2.995 3.489 . 0 0 "[ . 1 . 2]" 1
420 1 24 PHE HB3 1 25 TRP HE1 . . 5.500 2.906 2.775 3.042 . 0 0 "[ . 1 . 2]" 1
421 1 24 PHE HB3 1 26 ARG H . . 5.500 5.181 5.111 5.331 . 0 0 "[ . 1 . 2]" 1
422 1 24 PHE QD 1 25 TRP HD1 . . 4.520 3.656 2.168 4.143 . 0 0 "[ . 1 . 2]" 1
423 1 25 TRP H 1 25 TRP HB2 . . 3.740 2.732 2.691 2.785 . 0 0 "[ . 1 . 2]" 1
424 1 25 TRP H 1 25 TRP HB3 . . 3.730 3.741 3.727 3.751 0.021 16 0 "[ . 1 . 2]" 1
425 1 25 TRP H 1 25 TRP HD1 . . 4.110 3.197 3.165 3.237 . 0 0 "[ . 1 . 2]" 1
426 1 25 TRP H 1 25 TRP HE1 . . 5.500 4.845 4.775 4.892 . 0 0 "[ . 1 . 2]" 1
427 1 25 TRP H 1 26 ARG H . . 3.270 3.037 2.902 3.302 0.032 16 0 "[ . 1 . 2]" 1
428 1 25 TRP H 1 26 ARG HA . . 5.500 4.813 4.713 4.916 . 0 0 "[ . 1 . 2]" 1
429 1 25 TRP H 1 26 ARG HB2 . . 4.650 4.059 3.989 4.152 . 0 0 "[ . 1 . 2]" 1
430 1 25 TRP H 1 26 ARG HB3 . . 5.500 4.985 4.864 5.092 . 0 0 "[ . 1 . 2]" 1
431 1 25 TRP HA 1 25 TRP HD1 . . 3.560 2.480 2.437 2.537 . 0 0 "[ . 1 . 2]" 1
432 1 25 TRP HA 1 25 TRP HE1 . . 5.180 4.977 4.933 5.034 . 0 0 "[ . 1 . 2]" 1
433 1 25 TRP HA 1 28 ASP H . . 5.500 4.617 4.254 5.194 . 0 0 "[ . 1 . 2]" 1
434 1 25 TRP HA 1 28 ASP HB2 . . 4.050 4.191 3.914 4.617 0.567 10 2 "[ . + .- 2]" 1
435 1 25 TRP HA 1 28 ASP HB3 . . 4.730 3.323 2.709 4.512 . 0 0 "[ . 1 . 2]" 1
436 1 25 TRP HB2 1 25 TRP HZ3 . . 4.890 4.995 4.973 5.017 0.127 12 0 "[ . 1 . 2]" 1
437 1 25 TRP HB2 1 32 ASP HB3 . . 5.170 5.112 4.668 5.263 0.093 4 0 "[ . 1 . 2]" 1
438 1 25 TRP HB3 1 26 ARG H . . 4.570 4.499 4.438 4.528 . 0 0 "[ . 1 . 2]" 1
439 1 25 TRP HB3 1 32 ASP HB2 . . 4.830 4.049 3.243 4.915 0.085 14 0 "[ . 1 . 2]" 1
440 1 25 TRP HB3 1 32 ASP HB3 . . 4.910 4.527 3.928 4.838 . 0 0 "[ . 1 . 2]" 1
441 1 25 TRP HD1 1 26 ARG H . . 5.500 4.588 4.561 4.618 . 0 0 "[ . 1 . 2]" 1
442 1 25 TRP HE3 1 32 ASP HB2 . . 5.500 3.471 3.039 3.808 . 0 0 "[ . 1 . 2]" 1
443 1 25 TRP HE3 1 32 ASP HB3 . . 4.690 3.625 3.211 3.937 . 0 0 "[ . 1 . 2]" 1
444 1 25 TRP HZ3 1 32 ASP HB3 . . 4.490 4.328 3.850 5.299 0.809 14 1 "[ . 1 +. 2]" 1
445 1 26 ARG H 1 26 ARG HB2 . . 3.130 2.817 2.676 2.953 . 0 0 "[ . 1 . 2]" 1
446 1 26 ARG H 1 26 ARG HB3 . . 3.160 2.740 2.613 2.863 . 0 0 "[ . 1 . 2]" 1
447 1 26 ARG H 1 26 ARG QD . . 5.110 4.592 4.478 4.717 . 0 0 "[ . 1 . 2]" 1
448 1 26 ARG H 1 26 ARG HG2 . . 4.720 4.651 4.571 4.729 0.009 5 0 "[ . 1 . 2]" 1
449 1 26 ARG H 1 26 ARG HG3 . . 5.150 4.543 4.485 4.609 . 0 0 "[ . 1 . 2]" 1
450 1 26 ARG H 1 27 CYS H . . 5.000 4.391 4.309 4.451 . 0 0 "[ . 1 . 2]" 1
451 1 26 ARG HA 1 26 ARG QD . . 4.240 3.640 3.298 3.928 . 0 0 "[ . 1 . 2]" 1
452 1 26 ARG HA 1 26 ARG HG3 . . 4.150 2.295 2.231 2.367 . 0 0 "[ . 1 . 2]" 1
453 1 26 ARG HA 1 27 CYS H . . 2.840 2.157 2.140 2.178 . 0 0 "[ . 1 . 2]" 1
454 1 26 ARG HA 1 27 CYS QB . . 4.890 4.327 4.164 4.629 . 0 0 "[ . 1 . 2]" 1
455 1 26 ARG HA 1 28 ASP H . . 4.760 3.741 3.405 4.371 . 0 0 "[ . 1 . 2]" 1
456 1 26 ARG HB2 1 26 ARG QD . . 3.770 2.112 1.960 2.209 . 0 0 "[ . 1 . 2]" 1
457 1 26 ARG HB2 1 27 CYS H . . 5.280 4.321 4.275 4.377 . 0 0 "[ . 1 . 2]" 1
458 1 26 ARG HB3 1 27 CYS H . . 4.390 4.040 3.883 4.183 . 0 0 "[ . 1 . 2]" 1
459 1 26 ARG HB3 1 27 CYS QB . . 5.280 3.928 3.680 4.251 . 0 0 "[ . 1 . 2]" 1
460 1 26 ARG QD 1 27 CYS H . . 5.350 4.675 4.405 4.867 . 0 0 "[ . 1 . 2]" 1
461 1 26 ARG HG2 1 27 CYS H . . 4.010 3.468 2.934 4.030 0.020 2 0 "[ . 1 . 2]" 1
462 1 26 ARG HG2 1 27 CYS QB . . 4.830 3.252 2.857 3.796 . 0 0 "[ . 1 . 2]" 1
463 1 26 ARG HG3 1 27 CYS H . . 4.620 2.872 2.704 3.082 . 0 0 "[ . 1 . 2]" 1
464 1 26 ARG HG3 1 38 ASP HA . . 4.580 4.630 4.547 4.727 0.147 17 0 "[ . 1 . 2]" 1
465 1 26 ARG HG3 1 38 ASP QB . . 5.500 4.364 3.858 5.006 . 0 0 "[ . 1 . 2]" 1
466 1 27 CYS H 1 28 ASP H . . 3.650 2.838 2.689 3.119 . 0 0 "[ . 1 . 2]" 1
467 1 27 CYS H 1 29 GLY H . . 5.500 4.507 4.138 5.179 . 0 0 "[ . 1 . 2]" 1
468 1 27 CYS H 1 38 ASP QB . . 3.850 3.330 2.733 3.773 . 0 0 "[ . 1 . 2]" 1
469 1 27 CYS HA 1 28 ASP H . . 3.380 2.821 2.503 3.000 . 0 0 "[ . 1 . 2]" 1
470 1 27 CYS HA 1 42 CYS HB3 . . 4.500 2.725 1.993 4.846 0.346 14 0 "[ . 1 . 2]" 1
471 1 27 CYS QB 1 28 ASP H . . 5.380 3.849 3.728 3.985 . 0 0 "[ . 1 . 2]" 1
472 1 27 CYS QB 1 42 CYS HB2 . . 3.990 3.600 2.381 3.911 . 0 0 "[ . 1 . 2]" 1
473 1 27 CYS QB 1 42 CYS HB3 . . 3.570 3.146 2.285 3.889 0.319 10 0 "[ . 1 . 2]" 1
474 1 28 ASP H 1 28 ASP HB2 . . 3.860 3.599 3.193 3.776 . 0 0 "[ . 1 . 2]" 1
475 1 28 ASP H 1 29 GLY H . . 2.920 2.254 1.893 2.488 . 0 0 "[ . 1 . 2]" 1
476 1 28 ASP H 1 29 GLY HA2 . . 4.560 4.464 4.109 4.618 0.058 19 0 "[ . 1 . 2]" 1
477 1 28 ASP H 1 29 GLY HA3 . . 5.430 4.892 4.619 5.040 . 0 0 "[ . 1 . 2]" 1
478 1 28 ASP H 1 30 GLN H . . 4.180 3.743 3.246 4.018 . 0 0 "[ . 1 . 2]" 1
479 1 28 ASP H 1 30 GLN HB2 . . 5.500 4.861 4.309 5.305 . 0 0 "[ . 1 . 2]" 1
480 1 28 ASP HA 1 30 GLN H . . 5.500 5.300 4.507 5.526 0.026 5 0 "[ . 1 . 2]" 1
481 1 28 ASP HB2 1 29 GLY H . . 4.980 3.804 2.159 4.469 . 0 0 "[ . 1 . 2]" 1
482 1 28 ASP HB3 1 29 GLY H . . 5.370 3.909 3.594 4.504 . 0 0 "[ . 1 . 2]" 1
483 1 28 ASP HB3 1 30 GLN H . . 5.500 5.111 4.719 5.473 . 0 0 "[ . 1 . 2]" 1
484 1 29 GLY H 1 30 GLN H . . 3.370 2.165 1.951 2.718 . 0 0 "[ . 1 . 2]" 1
485 1 29 GLY H 1 30 GLN HB2 . . 5.500 3.977 3.452 4.926 . 0 0 "[ . 1 . 2]" 1
486 1 29 GLY H 1 39 GLU HG2 . . 5.500 4.724 4.129 5.156 . 0 0 "[ . 1 . 2]" 1
487 1 29 GLY H 1 39 GLU HG3 . . 5.090 4.172 3.809 4.758 . 0 0 "[ . 1 . 2]" 1
488 1 29 GLY HA2 1 39 GLU HG3 . . 5.460 3.011 2.638 3.524 . 0 0 "[ . 1 . 2]" 1
489 1 30 GLN H 1 30 GLN HB2 . . 3.120 2.544 2.408 2.936 . 0 0 "[ . 1 . 2]" 1
490 1 30 GLN H 1 30 GLN QG . . 4.210 3.609 2.822 4.212 0.002 17 0 "[ . 1 . 2]" 1
491 1 30 GLN H 1 31 VAL H . . 5.140 4.420 4.376 4.482 . 0 0 "[ . 1 . 2]" 1
492 1 30 GLN H 1 31 VAL MG2 . . 5.040 4.914 4.754 5.043 0.003 19 0 "[ . 1 . 2]" 1
493 1 30 GLN H 1 32 ASP H . . 5.500 4.647 4.547 4.794 . 0 0 "[ . 1 . 2]" 1
494 1 30 GLN H 1 39 GLU HB3 . . 5.500 4.784 4.429 5.332 . 0 0 "[ . 1 . 2]" 1
495 1 30 GLN H 1 39 GLU HG2 . . 5.500 3.415 2.927 3.664 . 0 0 "[ . 1 . 2]" 1
496 1 30 GLN H 1 39 GLU HG3 . . 3.730 2.918 2.555 3.448 . 0 0 "[ . 1 . 2]" 1
497 1 30 GLN HA 1 30 GLN QG . . 3.620 2.378 2.066 2.911 . 0 0 "[ . 1 . 2]" 1
498 1 30 GLN HA 1 31 VAL H . . 3.000 2.220 2.178 2.255 . 0 0 "[ . 1 . 2]" 1
499 1 30 GLN HA 1 31 VAL MG2 . . 4.900 3.377 3.308 3.453 . 0 0 "[ . 1 . 2]" 1
500 1 30 GLN HA 1 32 ASP H . . 5.500 3.721 3.636 3.775 . 0 0 "[ . 1 . 2]" 1
501 1 30 GLN HA 1 39 GLU HG3 . . 5.500 3.733 3.521 4.089 . 0 0 "[ . 1 . 2]" 1
502 1 30 GLN HB2 1 30 GLN HE22 . . 5.500 4.813 3.457 5.378 . 0 0 "[ . 1 . 2]" 1
503 1 30 GLN HB2 1 30 GLN QG . . 2.430 2.223 2.129 2.446 0.016 9 0 "[ . 1 . 2]" 1
504 1 30 GLN HB2 1 31 VAL H . . 4.160 4.220 4.104 4.339 0.179 16 0 "[ . 1 . 2]" 1
505 1 30 GLN HB3 1 31 VAL H . . 4.060 3.109 2.942 3.862 . 0 0 "[ . 1 . 2]" 1
506 1 30 GLN HB3 1 32 ASP H . . 4.730 2.236 2.125 2.879 . 0 0 "[ . 1 . 2]" 1
507 1 30 GLN QG 1 31 VAL H . . 4.810 3.673 2.393 4.541 . 0 0 "[ . 1 . 2]" 1
508 1 31 VAL H 1 31 VAL HB . . 3.230 2.700 2.687 2.719 . 0 0 "[ . 1 . 2]" 1
509 1 31 VAL H 1 31 VAL MG2 . . 3.720 2.098 2.018 2.210 . 0 0 "[ . 1 . 2]" 1
510 1 31 VAL H 1 32 ASP H . . 5.500 2.635 2.524 2.659 . 0 0 "[ . 1 . 2]" 1
511 1 31 VAL HA 1 31 VAL MG1 . . 3.640 2.149 2.123 2.185 . 0 0 "[ . 1 . 2]" 1
512 1 31 VAL HA 1 31 VAL MG2 . . 3.350 2.485 2.454 2.516 . 0 0 "[ . 1 . 2]" 1
513 1 31 VAL HA 1 32 ASP HA . . 4.930 4.928 4.924 4.934 0.004 20 0 "[ . 1 . 2]" 1
514 1 31 VAL HA 1 33 CYS H . . 3.930 3.473 3.392 3.549 . 0 0 "[ . 1 . 2]" 1
515 1 31 VAL HA 1 39 GLU H . . 5.270 4.767 4.464 4.880 . 0 0 "[ . 1 . 2]" 1
516 1 31 VAL HA 1 39 GLU HB2 . . 5.020 4.169 3.746 4.357 . 0 0 "[ . 1 . 2]" 1
517 1 31 VAL HA 1 39 GLU HB3 . . 5.500 5.310 5.056 5.457 . 0 0 "[ . 1 . 2]" 1
518 1 31 VAL HA 1 39 GLU HG2 . . 3.550 2.951 2.621 3.385 . 0 0 "[ . 1 . 2]" 1
519 1 31 VAL HA 1 39 GLU HG3 . . 3.650 3.682 3.535 3.740 0.090 18 0 "[ . 1 . 2]" 1
520 1 31 VAL HB 1 32 ASP H . . 5.310 3.808 3.777 3.829 . 0 0 "[ . 1 . 2]" 1
521 1 31 VAL HB 1 33 CYS H . . 5.350 5.206 5.127 5.274 . 0 0 "[ . 1 . 2]" 1
522 1 31 VAL MG1 1 32 ASP H . . 4.200 4.234 4.212 4.249 0.049 11 0 "[ . 1 . 2]" 1
523 1 31 VAL MG1 1 33 CYS QB . . 4.760 3.949 3.765 4.113 . 0 0 "[ . 1 . 2]" 1
524 1 31 VAL MG1 1 34 ASP HA . . 5.000 4.915 4.410 5.059 0.059 4 0 "[ . 1 . 2]" 1
525 1 31 VAL MG1 1 35 ASN H . . 5.500 5.307 5.111 5.544 0.044 16 0 "[ . 1 . 2]" 1
526 1 31 VAL MG1 1 36 GLY H . . 3.950 3.614 3.236 3.938 . 0 0 "[ . 1 . 2]" 1
527 1 31 VAL MG1 1 36 GLY HA2 . . 3.900 2.720 2.306 2.949 . 0 0 "[ . 1 . 2]" 1
528 1 31 VAL MG1 1 36 GLY HA3 . . 3.070 2.738 2.103 3.457 0.387 13 0 "[ . 1 . 2]" 1
529 1 31 VAL MG1 1 37 SER H . . 5.500 5.201 4.826 5.453 . 0 0 "[ . 1 . 2]" 1
530 1 31 VAL MG1 1 38 ASP H . . 5.390 5.408 5.277 5.503 0.113 4 0 "[ . 1 . 2]" 1
531 1 31 VAL MG1 1 39 GLU H . . 5.500 5.202 4.893 5.369 . 0 0 "[ . 1 . 2]" 1
532 1 31 VAL MG1 1 39 GLU HB2 . . 5.150 4.518 4.022 4.789 . 0 0 "[ . 1 . 2]" 1
533 1 31 VAL MG1 1 39 GLU HG2 . . 4.770 4.303 3.835 4.793 0.023 16 0 "[ . 1 . 2]" 1
534 1 31 VAL MG1 1 39 GLU HG3 . . 4.970 4.835 4.435 4.983 0.013 18 0 "[ . 1 . 2]" 1
535 1 31 VAL MG2 1 32 ASP H . . 4.670 4.089 4.064 4.100 . 0 0 "[ . 1 . 2]" 1
536 1 31 VAL MG2 1 36 GLY HA2 . . 4.980 4.545 4.248 4.785 . 0 0 "[ . 1 . 2]" 1
537 1 31 VAL MG2 1 36 GLY HA3 . . 4.690 4.552 4.110 5.022 0.332 18 0 "[ . 1 . 2]" 1
538 1 31 VAL MG2 1 39 GLU HB2 . . 3.880 3.869 3.637 3.941 0.061 10 0 "[ . 1 . 2]" 1
539 1 31 VAL MG2 1 39 GLU HB3 . . 4.600 4.530 4.118 4.681 0.081 6 0 "[ . 1 . 2]" 1
540 1 31 VAL MG2 1 39 GLU HG2 . . 4.080 3.714 3.276 4.114 0.034 17 0 "[ . 1 . 2]" 1
541 1 31 VAL MG2 1 39 GLU HG3 . . 3.730 3.341 2.854 3.543 . 0 0 "[ . 1 . 2]" 1
542 1 32 ASP H 1 32 ASP HB2 . . 3.530 3.049 2.778 3.612 0.082 8 0 "[ . 1 . 2]" 1
543 1 32 ASP H 1 32 ASP HB3 . . 3.980 3.301 2.140 3.595 . 0 0 "[ . 1 . 2]" 1
544 1 32 ASP H 1 33 CYS H . . 3.090 2.969 2.927 3.017 . 0 0 "[ . 1 . 2]" 1
545 1 32 ASP H 1 33 CYS QB . . 5.500 4.685 4.625 4.774 . 0 0 "[ . 1 . 2]" 1
546 1 32 ASP H 1 39 GLU HG2 . . 4.760 4.845 4.795 4.958 0.198 8 0 "[ . 1 . 2]" 1
547 1 32 ASP HB2 1 33 CYS H . . 4.000 2.886 2.523 4.081 0.081 14 0 "[ . 1 . 2]" 1
548 1 32 ASP HB3 1 33 CYS H . . 4.520 3.857 3.554 4.139 . 0 0 "[ . 1 . 2]" 1
549 1 33 CYS H 1 33 CYS QB . . 3.120 2.142 2.098 2.195 . 0 0 "[ . 1 . 2]" 1
550 1 33 CYS H 1 37 SER H . . 5.500 5.374 5.009 5.537 0.037 13 0 "[ . 1 . 2]" 1
551 1 33 CYS H 1 38 ASP H . . 4.780 4.643 4.244 4.851 0.071 17 0 "[ . 1 . 2]" 1
552 1 33 CYS H 1 38 ASP QB . . 5.500 4.093 3.534 4.646 . 0 0 "[ . 1 . 2]" 1
553 1 33 CYS H 1 39 GLU HG2 . . 5.500 4.869 4.709 4.960 . 0 0 "[ . 1 . 2]" 1
554 1 33 CYS QB 1 35 ASN H . . 3.810 2.487 2.174 2.917 . 0 0 "[ . 1 . 2]" 1
555 1 33 CYS QB 1 36 GLY H . . 3.670 2.167 1.901 2.489 . 0 0 "[ . 1 . 2]" 1
556 1 33 CYS QB 1 36 GLY HA3 . . 5.030 3.804 3.613 4.276 . 0 0 "[ . 1 . 2]" 1
557 1 33 CYS QB 1 37 SER H . . 3.390 2.459 2.123 2.707 . 0 0 "[ . 1 . 2]" 1
558 1 33 CYS QB 1 37 SER HB3 . . 5.500 4.063 3.195 5.153 . 0 0 "[ . 1 . 2]" 1
559 1 33 CYS QB 1 38 ASP H . . 3.040 2.648 2.281 2.881 . 0 0 "[ . 1 . 2]" 1
560 1 33 CYS QB 1 38 ASP HA . . 5.060 4.805 4.502 4.975 . 0 0 "[ . 1 . 2]" 1
561 1 33 CYS QB 1 39 GLU H . . 5.380 4.233 4.008 4.468 . 0 0 "[ . 1 . 2]" 1
562 1 34 ASP HA 1 36 GLY H . . 4.700 4.061 3.794 4.289 . 0 0 "[ . 1 . 2]" 1
563 1 34 ASP HB2 1 35 ASN H . . 5.490 3.182 2.598 3.992 . 0 0 "[ . 1 . 2]" 1
564 1 35 ASN H 1 35 ASN HB2 . . 3.670 3.468 2.703 3.579 . 0 0 "[ . 1 . 2]" 1
565 1 35 ASN H 1 35 ASN HB3 . . 3.760 3.391 3.174 3.807 0.047 18 0 "[ . 1 . 2]" 1
566 1 35 ASN H 1 35 ASN HD22 . . 5.500 3.290 2.931 3.757 . 0 0 "[ . 1 . 2]" 1
567 1 35 ASN H 1 36 GLY H . . 3.200 2.205 1.958 2.436 . 0 0 "[ . 1 . 2]" 1
568 1 35 ASN HA 1 35 ASN HD21 . . 4.230 3.809 3.592 4.248 0.018 18 0 "[ . 1 . 2]" 1
569 1 35 ASN HA 1 37 SER H . . 4.680 4.538 4.390 4.694 0.014 13 0 "[ . 1 . 2]" 1
570 1 35 ASN HB2 1 35 ASN HD21 . . 3.530 3.296 2.152 3.496 . 0 0 "[ . 1 . 2]" 1
571 1 35 ASN HB2 1 37 SER H . . 5.060 3.509 2.908 3.979 . 0 0 "[ . 1 . 2]" 1
572 1 35 ASN HB3 1 35 ASN HD21 . . 3.480 2.320 2.118 3.389 . 0 0 "[ . 1 . 2]" 1
573 1 35 ASN HB3 1 36 GLY H . . 5.040 4.548 4.403 4.652 . 0 0 "[ . 1 . 2]" 1
574 1 35 ASN HB3 1 37 SER H . . 5.500 4.760 4.140 5.041 . 0 0 "[ . 1 . 2]" 1
575 1 35 ASN HD22 1 37 SER HB2 . . 5.420 4.849 4.315 6.175 0.755 18 1 "[ . 1 . + 2]" 1
576 1 36 GLY H 1 37 SER H . . 3.590 2.725 2.409 2.838 . 0 0 "[ . 1 . 2]" 1
577 1 36 GLY H 1 38 ASP H . . 5.500 4.298 3.960 4.488 . 0 0 "[ . 1 . 2]" 1
578 1 36 GLY HA3 1 38 ASP H . . 5.220 4.324 4.084 4.675 . 0 0 "[ . 1 . 2]" 1
579 1 36 GLY HA3 1 39 GLU H . . 5.360 4.227 3.992 4.627 . 0 0 "[ . 1 . 2]" 1
580 1 37 SER H 1 37 SER HB2 . . 2.990 2.552 2.132 3.097 0.107 18 0 "[ . 1 . 2]" 1
581 1 37 SER H 1 37 SER HB3 . . 3.930 2.717 2.193 3.523 . 0 0 "[ . 1 . 2]" 1
582 1 37 SER H 1 38 ASP H . . 3.640 2.537 2.265 2.642 . 0 0 "[ . 1 . 2]" 1
583 1 37 SER H 1 40 GLN QB . . 5.500 5.073 4.847 5.236 . 0 0 "[ . 1 . 2]" 1
584 1 37 SER H 1 40 GLN QG . . 5.500 4.634 4.195 5.516 0.016 13 0 "[ . 1 . 2]" 1
585 1 37 SER HA 1 39 GLU H . . 4.600 3.760 3.568 3.890 . 0 0 "[ . 1 . 2]" 1
586 1 37 SER HA 1 40 GLN H . . 3.950 3.929 3.743 4.016 0.066 5 0 "[ . 1 . 2]" 1
587 1 37 SER HA 1 40 GLN QB . . 3.410 2.630 2.267 3.035 . 0 0 "[ . 1 . 2]" 1
588 1 37 SER HA 1 40 GLN HE21 . . 5.500 3.867 2.885 5.333 . 0 0 "[ . 1 . 2]" 1
589 1 37 SER HA 1 40 GLN HE22 . . 5.500 4.527 3.618 5.523 0.023 6 0 "[ . 1 . 2]" 1
590 1 37 SER HA 1 40 GLN QG . . 3.720 2.338 1.962 3.158 . 0 0 "[ . 1 . 2]" 1
591 1 37 SER HB2 1 38 ASP H . . 5.080 3.984 3.006 4.439 . 0 0 "[ . 1 . 2]" 1
592 1 37 SER HB3 1 38 ASP H . . 4.950 3.354 2.912 4.060 . 0 0 "[ . 1 . 2]" 1
593 1 38 ASP H 1 38 ASP QB . . 3.920 2.611 2.091 2.832 . 0 0 "[ . 1 . 2]" 1
594 1 38 ASP H 1 39 GLU H . . 3.210 2.469 2.235 2.743 . 0 0 "[ . 1 . 2]" 1
595 1 38 ASP H 1 39 GLU HB2 . . 5.410 4.925 4.546 5.222 . 0 0 "[ . 1 . 2]" 1
596 1 38 ASP H 1 39 GLU HG2 . . 5.500 4.212 3.884 4.501 . 0 0 "[ . 1 . 2]" 1
597 1 38 ASP H 1 40 GLN H . . 4.530 4.442 4.256 4.563 0.033 20 0 "[ . 1 . 2]" 1
598 1 38 ASP H 1 40 GLN QG . . 5.500 4.606 3.788 5.360 . 0 0 "[ . 1 . 2]" 1
599 1 38 ASP QB 1 39 GLU H . . 5.340 3.439 3.005 3.649 . 0 0 "[ . 1 . 2]" 1
600 1 39 GLU H 1 39 GLU HB2 . . 3.330 2.714 2.542 2.829 . 0 0 "[ . 1 . 2]" 1
601 1 39 GLU H 1 39 GLU HB3 . . 3.930 3.770 3.716 3.815 . 0 0 "[ . 1 . 2]" 1
602 1 39 GLU H 1 39 GLU HG2 . . 3.840 2.779 2.517 3.045 . 0 0 "[ . 1 . 2]" 1
603 1 39 GLU H 1 39 GLU HG3 . . 4.270 4.163 3.954 4.336 0.066 8 0 "[ . 1 . 2]" 1
604 1 39 GLU H 1 40 GLN H . . 3.110 2.793 2.720 2.922 . 0 0 "[ . 1 . 2]" 1
605 1 39 GLU H 1 40 GLN HA . . 5.420 4.710 4.474 4.934 . 0 0 "[ . 1 . 2]" 1
606 1 39 GLU H 1 40 GLN QG . . 5.110 3.797 3.343 4.188 . 0 0 "[ . 1 . 2]" 1
607 1 39 GLU H 1 42 CYS H . . 5.500 5.506 5.401 5.567 0.067 10 0 "[ . 1 . 2]" 1
608 1 39 GLU HA 1 42 CYS H . . 3.500 3.456 3.302 3.631 0.131 20 0 "[ . 1 . 2]" 1
609 1 39 GLU HB2 1 40 GLN H . . 4.480 4.195 4.186 4.218 . 0 0 "[ . 1 . 2]" 1
610 1 39 GLU HB2 1 40 GLN HA . . 4.930 4.677 4.550 4.854 . 0 0 "[ . 1 . 2]" 1
611 1 39 GLU HB3 1 40 GLN H . . 4.880 4.498 4.439 4.534 . 0 0 "[ . 1 . 2]" 1
612 1 40 GLN H 1 40 GLN QB . . 3.100 2.611 2.246 2.972 . 0 0 "[ . 1 . 2]" 1
613 1 40 GLN H 1 40 GLN QG . . 3.900 2.820 1.906 3.600 . 0 0 "[ . 1 . 2]" 1
614 1 40 GLN H 1 41 GLY H . . 5.230 2.946 1.866 3.648 . 0 0 "[ . 1 . 2]" 1
615 1 40 GLN H 1 42 CYS H . . 5.500 3.232 2.975 3.351 . 0 0 "[ . 1 . 2]" 1
616 1 40 GLN HA 1 40 GLN QG . . 3.660 2.698 2.105 3.392 . 0 0 "[ . 1 . 2]" 1
617 1 40 GLN HA 1 41 GLY H . . 3.360 2.792 2.439 3.493 0.133 17 0 "[ . 1 . 2]" 1
618 1 40 GLN HA 1 41 GLY HA2 . . 4.450 4.435 4.368 4.566 0.116 13 0 "[ . 1 . 2]" 1
619 1 40 GLN HA 1 41 GLY HA3 . . 5.140 4.648 4.353 5.224 0.084 19 0 "[ . 1 . 2]" 1
620 1 40 GLN HA 1 42 CYS H . . 4.130 4.172 4.067 4.227 0.097 20 0 "[ . 1 . 2]" 1
621 1 40 GLN QB 1 41 GLY H . . 4.960 3.782 3.148 4.033 . 0 0 "[ . 1 . 2]" 1
622 1 40 GLN QB 1 42 CYS H . . 5.430 4.744 4.343 4.998 . 0 0 "[ . 1 . 2]" 1
623 1 40 GLN QG 1 41 GLY H . . 5.500 3.936 2.063 4.588 . 0 0 "[ . 1 . 2]" 1
624 1 41 GLY H 1 42 CYS H . . 3.530 2.243 2.015 2.540 . 0 0 "[ . 1 . 2]" 1
625 1 42 CYS H 1 42 CYS HB2 . . 3.070 2.720 2.157 3.880 0.810 10 3 "[ - . + *. 2]" 1
626 1 42 CYS H 1 42 CYS HB3 . . 3.710 3.269 2.874 4.039 0.329 20 0 "[ . 1 . 2]" 1
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