NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442313 |
2kcn   |
16087 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kcn
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 683
_Distance_constraint_stats_list.Viol_count 1237
_Distance_constraint_stats_list.Viol_total 1703.042
_Distance_constraint_stats_list.Viol_max 0.933
_Distance_constraint_stats_list.Viol_rms 0.0398
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0688
_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 ALA 0.063 0.037 14 0 "[ . 1 . 2]"
1 2 LYS 2.056 0.172 15 0 "[ . 1 . 2]"
1 3 TYR 2.721 0.172 15 0 "[ . 1 . 2]"
1 4 THR 0.090 0.030 20 0 "[ . 1 . 2]"
1 5 GLY 0.344 0.029 14 0 "[ . 1 . 2]"
1 6 LYS 2.015 0.426 2 0 "[ . 1 . 2]"
1 7 CYS 2.016 0.163 19 0 "[ . 1 . 2]"
1 8 THR 5.207 0.890 18 3 "[- . 1 *. + 2]"
1 9 LYS 1.757 0.180 5 0 "[ . 1 . 2]"
1 10 SER 0.584 0.144 3 0 "[ . 1 . 2]"
1 11 LYS 0.381 0.108 8 0 "[ . 1 . 2]"
1 12 ASN 0.708 0.108 8 0 "[ . 1 . 2]"
1 13 GLU 6.710 0.890 18 3 "[- . 1 *. + 2]"
1 14 CYS 1.775 0.359 6 0 "[ . 1 . 2]"
1 15 LYS 0.243 0.045 9 0 "[ . 1 . 2]"
1 16 TYR 0.810 0.055 18 0 "[ . 1 . 2]"
1 17 LYS 1.299 0.386 12 0 "[ . 1 . 2]"
1 18 ASN 0.792 0.249 12 0 "[ . 1 . 2]"
1 19 ASP 2.516 0.741 3 2 "[ + . 1 . -2]"
1 20 ALA 4.080 0.290 2 0 "[ . 1 . 2]"
1 21 GLY 3.850 0.290 2 0 "[ . 1 . 2]"
1 22 LYS 3.746 0.741 3 2 "[ + . 1 . -2]"
1 23 ASP 1.209 0.521 2 1 "[ + . 1 . 2]"
1 24 THR 0.777 0.075 2 0 "[ . 1 . 2]"
1 25 PHE 1.507 0.521 2 1 "[ + . 1 . 2]"
1 26 ILE 2.861 0.260 11 0 "[ . 1 . 2]"
1 27 LYS 0.968 0.219 18 0 "[ . 1 . 2]"
1 28 CYS 8.184 0.933 16 4 "[ *. *1 -.+ 2]"
1 29 PRO 3.082 0.436 17 0 "[ . 1 . 2]"
1 30 LYS 8.098 0.521 10 1 "[ . + . 2]"
1 31 PHE 9.880 0.463 16 0 "[ . 1 . 2]"
1 32 ASP 2.334 0.509 1 1 "[+ . 1 . 2]"
1 33 ASN 1.984 0.509 1 1 "[+ . 1 . 2]"
1 34 LYS 1.374 0.252 16 0 "[ . 1 . 2]"
1 35 LYS 1.428 0.155 10 0 "[ . 1 . 2]"
1 36 CYS 0.082 0.053 19 0 "[ . 1 . 2]"
1 37 THR 2.455 0.401 12 0 "[ . 1 . 2]"
1 38 LYS 1.593 0.307 20 0 "[ . 1 . 2]"
1 39 ASP 2.398 0.180 5 0 "[ . 1 . 2]"
1 40 ASN 4.069 0.299 14 0 "[ . 1 . 2]"
1 41 ASN 2.406 0.307 20 0 "[ . 1 . 2]"
1 42 LYS 4.890 0.157 12 0 "[ . 1 . 2]"
1 43 CYS 2.813 0.189 4 0 "[ . 1 . 2]"
1 44 THR 0.294 0.149 17 0 "[ . 1 . 2]"
1 45 VAL 1.733 0.149 17 0 "[ . 1 . 2]"
1 46 ASP 0.059 0.024 14 0 "[ . 1 . 2]"
1 47 THR 0.205 0.121 20 0 "[ . 1 . 2]"
1 48 TYR 3.772 0.187 18 0 "[ . 1 . 2]"
1 49 ASN 9.449 0.485 17 0 "[ . 1 . 2]"
1 50 ASN 1.978 0.106 17 0 "[ . 1 . 2]"
1 51 ALA 4.840 0.485 17 0 "[ . 1 . 2]"
1 52 VAL 1.360 0.436 17 0 "[ . 1 . 2]"
1 53 ASP 0.099 0.027 15 0 "[ . 1 . 2]"
1 54 CYS 14.758 0.933 16 5 "[ *. *- *.+ 2]"
1 55 ASP 2.292 0.428 1 0 "[ . 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 ALA HA 1 2 LYS H . . 3.480 2.497 2.146 2.716 . 0 0 "[ . 1 . 2]" 1
2 1 1 ALA HA 1 2 LYS HA . . 5.500 4.521 4.371 4.654 . 0 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 1 2 LYS QG . . 5.500 4.094 3.325 4.958 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 1 2 LYS H . . 4.110 2.489 2.001 3.707 . 0 0 "[ . 1 . 2]" 1
5 1 1 ALA MB 1 2 LYS HA . . 4.850 3.886 3.677 4.375 . 0 0 "[ . 1 . 2]" 1
6 1 1 ALA MB 1 3 TYR QE . . 3.900 3.317 2.563 3.937 0.037 14 0 "[ . 1 . 2]" 1
7 1 1 ALA MB 1 46 ASP HA . . 5.500 5.056 3.864 5.502 0.002 11 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS HB3 . . 3.950 3.743 3.407 3.926 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 3 TYR H . . 5.050 4.432 4.267 4.607 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 3 TYR QE . . 5.430 4.767 3.894 5.437 0.007 18 0 "[ . 1 . 2]" 1
11 1 2 LYS HA 1 3 TYR H . . 2.720 2.429 2.204 2.517 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 3 TYR HB2 . . 4.820 4.517 4.193 4.739 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 3 TYR HB3 . . 5.500 5.599 5.569 5.672 0.172 15 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 3 TYR QD . . 4.340 3.466 2.841 4.313 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS HA 1 3 TYR QE . . 5.240 4.465 3.836 5.257 0.017 18 0 "[ . 1 . 2]" 1
16 1 2 LYS HA 1 45 VAL MG1 . . 5.500 4.655 4.367 5.039 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS HA 1 46 ASP HA . . 3.380 2.332 1.970 2.665 . 0 0 "[ . 1 . 2]" 1
18 1 2 LYS HA 1 46 ASP QB . . 4.900 4.211 3.558 4.579 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS HA 1 47 THR H . . 3.760 3.119 2.185 3.762 0.002 18 0 "[ . 1 . 2]" 1
20 1 2 LYS HB2 1 3 TYR H . . 4.360 3.549 2.240 4.178 . 0 0 "[ . 1 . 2]" 1
21 1 2 LYS HB3 1 3 TYR H . . 5.300 2.555 2.176 3.689 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HB3 1 3 TYR QD . . 5.080 5.032 4.693 5.100 0.020 14 0 "[ . 1 . 2]" 1
23 1 2 LYS QG 1 46 ASP HA . . 4.570 2.930 2.006 3.939 . 0 0 "[ . 1 . 2]" 1
24 1 2 LYS QG 1 46 ASP QB . . 4.810 3.459 2.693 4.286 . 0 0 "[ . 1 . 2]" 1
25 1 3 TYR H 1 3 TYR HB2 . . 3.580 2.825 2.360 2.986 . 0 0 "[ . 1 . 2]" 1
26 1 3 TYR H 1 3 TYR HB3 . . 4.070 3.860 3.607 3.943 . 0 0 "[ . 1 . 2]" 1
27 1 3 TYR H 1 3 TYR QD . . 3.630 3.218 2.592 3.626 . 0 0 "[ . 1 . 2]" 1
28 1 3 TYR H 1 3 TYR QE . . 5.500 5.073 4.717 5.510 0.010 4 0 "[ . 1 . 2]" 1
29 1 3 TYR H 1 45 VAL H . . 3.540 2.997 2.164 3.421 . 0 0 "[ . 1 . 2]" 1
30 1 3 TYR H 1 45 VAL HB . . 4.050 3.839 3.375 4.066 0.016 17 0 "[ . 1 . 2]" 1
31 1 3 TYR H 1 45 VAL MG1 . . 4.930 4.315 3.903 4.785 . 0 0 "[ . 1 . 2]" 1
32 1 3 TYR H 1 46 ASP HA . . 4.180 3.524 2.702 4.080 . 0 0 "[ . 1 . 2]" 1
33 1 3 TYR HA 1 3 TYR QD . . 3.400 2.811 2.003 3.135 . 0 0 "[ . 1 . 2]" 1
34 1 3 TYR HA 1 4 THR H . . 2.850 2.272 2.137 2.563 . 0 0 "[ . 1 . 2]" 1
35 1 3 TYR HB2 1 4 THR H . . 4.260 3.863 3.125 4.290 0.030 20 0 "[ . 1 . 2]" 1
36 1 3 TYR HB2 1 16 TYR HB2 . . 4.800 3.816 3.087 4.816 0.016 18 0 "[ . 1 . 2]" 1
37 1 3 TYR HB2 1 16 TYR QD . . 4.030 3.430 2.672 4.085 0.055 18 0 "[ . 1 . 2]" 1
38 1 3 TYR HB2 1 45 VAL H . . 4.430 3.425 2.904 3.917 . 0 0 "[ . 1 . 2]" 1
39 1 3 TYR HB2 1 45 VAL HB . . 4.020 2.325 2.098 2.553 . 0 0 "[ . 1 . 2]" 1
40 1 3 TYR HB2 1 45 VAL MG1 . . 4.690 3.477 3.286 3.612 . 0 0 "[ . 1 . 2]" 1
41 1 3 TYR HB2 1 45 VAL MG2 . . 5.000 3.770 3.506 4.094 . 0 0 "[ . 1 . 2]" 1
42 1 3 TYR HB3 1 4 THR H . . 3.630 2.893 2.199 3.570 . 0 0 "[ . 1 . 2]" 1
43 1 3 TYR HB3 1 16 TYR HB3 . . 4.890 3.642 3.057 4.331 . 0 0 "[ . 1 . 2]" 1
44 1 3 TYR HB3 1 16 TYR QD . . 3.730 2.519 2.006 3.361 . 0 0 "[ . 1 . 2]" 1
45 1 3 TYR HB3 1 17 LYS H . . 5.430 3.874 3.121 5.211 . 0 0 "[ . 1 . 2]" 1
46 1 3 TYR HB3 1 45 VAL H . . 5.500 4.683 4.131 5.321 . 0 0 "[ . 1 . 2]" 1
47 1 3 TYR HB3 1 45 VAL HB . . 3.960 3.839 3.309 4.006 0.046 15 0 "[ . 1 . 2]" 1
48 1 3 TYR HB3 1 45 VAL MG1 . . 5.500 4.801 4.504 4.964 . 0 0 "[ . 1 . 2]" 1
49 1 3 TYR QD 1 4 THR H . . 4.400 4.011 3.531 4.392 . 0 0 "[ . 1 . 2]" 1
50 1 3 TYR QD 1 16 TYR HB2 . . 4.980 3.936 3.263 4.426 . 0 0 "[ . 1 . 2]" 1
51 1 3 TYR QD 1 16 TYR HB3 . . 5.500 5.111 4.736 5.515 0.015 14 0 "[ . 1 . 2]" 1
52 1 3 TYR QD 1 16 TYR QD . . 3.940 2.755 2.164 3.343 . 0 0 "[ . 1 . 2]" 1
53 1 3 TYR QD 1 16 TYR QE . . 4.120 3.381 2.325 4.110 . 0 0 "[ . 1 . 2]" 1
54 1 3 TYR QD 1 17 LYS H . . 5.370 3.998 3.284 4.999 . 0 0 "[ . 1 . 2]" 1
55 1 3 TYR QD 1 18 ASN HA . . 4.240 3.850 3.210 4.252 0.012 18 0 "[ . 1 . 2]" 1
56 1 3 TYR QD 1 18 ASN HB3 . . 5.260 4.822 4.357 5.263 0.003 7 0 "[ . 1 . 2]" 1
57 1 3 TYR QD 1 45 VAL H . . 4.820 4.663 4.334 4.830 0.010 18 0 "[ . 1 . 2]" 1
58 1 3 TYR QD 1 45 VAL HB . . 3.660 3.218 2.448 3.731 0.071 18 0 "[ . 1 . 2]" 1
59 1 3 TYR QD 1 45 VAL MG1 . . 4.020 2.868 2.126 3.738 . 0 0 "[ . 1 . 2]" 1
60 1 3 TYR QD 1 45 VAL MG2 . . 5.500 4.533 3.888 5.006 . 0 0 "[ . 1 . 2]" 1
61 1 3 TYR QD 1 46 ASP HA . . 5.500 3.952 3.379 4.878 . 0 0 "[ . 1 . 2]" 1
62 1 3 TYR QD 1 47 THR H . . 5.010 4.258 3.167 5.010 0.000 10 0 "[ . 1 . 2]" 1
63 1 3 TYR QD 1 47 THR MG . . 3.310 3.198 2.814 3.321 0.011 8 0 "[ . 1 . 2]" 1
64 1 3 TYR QE 1 16 TYR QD . . 4.910 4.065 3.607 4.593 . 0 0 "[ . 1 . 2]" 1
65 1 3 TYR QE 1 16 TYR QE . . 4.360 3.585 3.040 4.288 . 0 0 "[ . 1 . 2]" 1
66 1 3 TYR QE 1 18 ASN HA . . 3.850 2.741 2.017 3.614 . 0 0 "[ . 1 . 2]" 1
67 1 3 TYR QE 1 18 ASN HB3 . . 5.500 4.380 3.674 5.246 . 0 0 "[ . 1 . 2]" 1
68 1 3 TYR QE 1 19 ASP H . . 4.360 3.760 3.039 4.361 0.001 13 0 "[ . 1 . 2]" 1
69 1 3 TYR QE 1 45 VAL MG1 . . 4.800 4.094 3.156 4.797 . 0 0 "[ . 1 . 2]" 1
70 1 3 TYR QE 1 47 THR H . . 4.920 4.201 3.446 4.924 0.004 6 0 "[ . 1 . 2]" 1
71 1 3 TYR QE 1 47 THR HA . . 5.500 4.214 3.217 5.340 . 0 0 "[ . 1 . 2]" 1
72 1 3 TYR QE 1 47 THR MG . . 3.390 2.019 1.884 2.420 . 0 0 "[ . 1 . 2]" 1
73 1 4 THR H 1 4 THR MG . . 4.530 3.207 2.017 4.014 . 0 0 "[ . 1 . 2]" 1
74 1 4 THR H 1 44 THR HA . . 5.340 5.100 4.739 5.348 0.008 18 0 "[ . 1 . 2]" 1
75 1 4 THR MG 1 5 GLY H . . 3.810 3.088 1.899 3.821 0.011 14 0 "[ . 1 . 2]" 1
76 1 5 GLY H 1 6 LYS H . . 4.660 4.224 3.907 4.477 . 0 0 "[ . 1 . 2]" 1
77 1 5 GLY H 1 16 TYR HB3 . . 4.870 4.698 4.193 4.880 0.010 17 0 "[ . 1 . 2]" 1
78 1 5 GLY H 1 42 LYS HA . . 5.310 5.257 4.682 5.339 0.029 6 0 "[ . 1 . 2]" 1
79 1 5 GLY H 1 43 CYS H . . 3.820 3.623 3.069 3.833 0.013 13 0 "[ . 1 . 2]" 1
80 1 5 GLY H 1 44 THR HA . . 3.800 3.325 2.839 3.801 0.001 20 0 "[ . 1 . 2]" 1
81 1 5 GLY H 1 44 THR MG . . 4.970 3.579 2.659 4.302 . 0 0 "[ . 1 . 2]" 1
82 1 5 GLY QA 1 6 LYS H . . 3.020 2.199 2.116 2.281 . 0 0 "[ . 1 . 2]" 1
83 1 5 GLY QA 1 6 LYS HA . . 5.040 3.970 3.940 4.029 . 0 0 "[ . 1 . 2]" 1
84 1 5 GLY QA 1 15 LYS H . . 5.500 4.076 2.596 4.696 . 0 0 "[ . 1 . 2]" 1
85 1 5 GLY QA 1 16 TYR HA . . 3.730 3.435 2.415 3.759 0.029 14 0 "[ . 1 . 2]" 1
86 1 5 GLY QA 1 16 TYR HB2 . . 4.160 3.938 3.519 4.178 0.018 11 0 "[ . 1 . 2]" 1
87 1 5 GLY QA 1 16 TYR HB3 . . 3.590 3.146 2.523 3.612 0.022 20 0 "[ . 1 . 2]" 1
88 1 5 GLY QA 1 16 TYR QD . . 5.180 4.725 3.963 5.186 0.006 3 0 "[ . 1 . 2]" 1
89 1 5 GLY QA 1 43 CYS H . . 5.470 4.516 3.972 4.859 . 0 0 "[ . 1 . 2]" 1
90 1 6 LYS H 1 6 LYS QG . . 4.900 2.971 2.357 3.772 . 0 0 "[ . 1 . 2]" 1
91 1 6 LYS H 1 7 CYS H . . 4.970 4.391 4.228 4.507 . 0 0 "[ . 1 . 2]" 1
92 1 6 LYS H 1 15 LYS H . . 3.760 3.458 2.397 3.788 0.028 6 0 "[ . 1 . 2]" 1
93 1 6 LYS HA 1 6 LYS QG . . 3.790 2.687 2.293 3.385 . 0 0 "[ . 1 . 2]" 1
94 1 6 LYS HA 1 7 CYS H . . 2.870 2.443 2.219 2.686 . 0 0 "[ . 1 . 2]" 1
95 1 6 LYS HA 1 7 CYS HA . . 4.930 4.425 4.346 4.542 . 0 0 "[ . 1 . 2]" 1
96 1 6 LYS HA 1 7 CYS QB . . 4.700 4.302 3.950 4.486 . 0 0 "[ . 1 . 2]" 1
97 1 6 LYS HA 1 40 ASN HA . . 4.670 4.366 3.632 4.666 . 0 0 "[ . 1 . 2]" 1
98 1 6 LYS HA 1 41 ASN H . . 5.270 4.480 4.066 5.174 . 0 0 "[ . 1 . 2]" 1
99 1 6 LYS HA 1 42 LYS HA . . 3.400 3.000 2.396 3.411 0.011 19 0 "[ . 1 . 2]" 1
100 1 6 LYS QB 1 6 LYS HE2 . . 3.410 3.070 2.132 3.836 0.426 2 0 "[ . 1 . 2]" 1
101 1 6 LYS QB 1 7 CYS H . . 3.940 2.406 2.034 2.933 . 0 0 "[ . 1 . 2]" 1
102 1 6 LYS QB 1 40 ASN H . . 5.160 4.118 3.649 4.561 . 0 0 "[ . 1 . 2]" 1
103 1 6 LYS QB 1 40 ASN HA . . 3.440 2.173 1.899 2.587 . 0 0 "[ . 1 . 2]" 1
104 1 6 LYS QB 1 40 ASN HB2 . . 4.950 4.018 3.370 4.561 . 0 0 "[ . 1 . 2]" 1
105 1 6 LYS QB 1 40 ASN HB3 . . 4.160 2.915 2.058 3.626 . 0 0 "[ . 1 . 2]" 1
106 1 6 LYS QB 1 40 ASN HD22 . . 4.830 4.327 3.424 5.129 0.299 14 0 "[ . 1 . 2]" 1
107 1 6 LYS QB 1 41 ASN H . . 5.220 3.190 2.630 4.095 . 0 0 "[ . 1 . 2]" 1
108 1 6 LYS QB 1 42 LYS H . . 5.390 4.174 3.163 5.129 . 0 0 "[ . 1 . 2]" 1
109 1 6 LYS QB 1 42 LYS HA . . 3.930 3.629 2.541 4.018 0.088 5 0 "[ . 1 . 2]" 1
110 1 6 LYS QB 1 43 CYS H . . 5.240 4.448 3.706 4.956 . 0 0 "[ . 1 . 2]" 1
111 1 6 LYS QB 1 43 CYS QB . . 5.500 4.555 3.669 4.980 . 0 0 "[ . 1 . 2]" 1
112 1 6 LYS QG 1 7 CYS H . . 5.350 4.075 3.684 4.449 . 0 0 "[ . 1 . 2]" 1
113 1 6 LYS QG 1 40 ASN HB3 . . 5.500 3.571 2.614 4.869 . 0 0 "[ . 1 . 2]" 1
114 1 6 LYS QG 1 42 LYS HA . . 5.270 3.441 2.040 5.119 . 0 0 "[ . 1 . 2]" 1
115 1 7 CYS H 1 8 THR H . . 4.840 4.465 4.396 4.541 . 0 0 "[ . 1 . 2]" 1
116 1 7 CYS H 1 40 ASN H . . 4.410 4.334 4.090 4.472 0.062 18 0 "[ . 1 . 2]" 1
117 1 7 CYS H 1 40 ASN HA . . 4.280 3.059 2.686 3.683 . 0 0 "[ . 1 . 2]" 1
118 1 7 CYS H 1 41 ASN H . . 4.050 2.647 1.941 3.408 . 0 0 "[ . 1 . 2]" 1
119 1 7 CYS H 1 41 ASN HA . . 5.370 4.835 4.092 5.409 0.039 17 0 "[ . 1 . 2]" 1
120 1 7 CYS H 1 41 ASN QB . . 5.500 3.482 2.815 4.767 . 0 0 "[ . 1 . 2]" 1
121 1 7 CYS H 1 42 LYS H . . 5.500 3.573 2.557 4.899 . 0 0 "[ . 1 . 2]" 1
122 1 7 CYS H 1 42 LYS HA . . 4.600 4.367 3.953 4.702 0.102 19 0 "[ . 1 . 2]" 1
123 1 7 CYS H 1 43 CYS H . . 5.100 4.803 4.269 5.126 0.026 8 0 "[ . 1 . 2]" 1
124 1 7 CYS H 1 43 CYS QB . . 5.500 3.795 3.121 4.395 . 0 0 "[ . 1 . 2]" 1
125 1 7 CYS HA 1 8 THR H . . 2.810 2.421 2.272 2.682 . 0 0 "[ . 1 . 2]" 1
126 1 7 CYS HA 1 8 THR HB . . 5.500 5.273 4.377 5.663 0.163 19 0 "[ . 1 . 2]" 1
127 1 7 CYS HA 1 8 THR MG . . 5.390 3.798 3.217 4.722 . 0 0 "[ . 1 . 2]" 1
128 1 7 CYS HA 1 13 GLU H . . 5.200 3.681 3.216 4.155 . 0 0 "[ . 1 . 2]" 1
129 1 7 CYS HA 1 15 LYS QB . . 5.500 4.691 3.186 5.278 . 0 0 "[ . 1 . 2]" 1
130 1 7 CYS HA 1 43 CYS QB . . 5.110 4.642 3.779 4.924 . 0 0 "[ . 1 . 2]" 1
131 1 7 CYS QB 1 8 THR H . . 3.330 2.435 2.144 2.723 . 0 0 "[ . 1 . 2]" 1
132 1 7 CYS QB 1 36 CYS QB . . 3.950 2.855 1.995 3.699 . 0 0 "[ . 1 . 2]" 1
133 1 8 THR H 1 8 THR HB . . 3.750 3.460 2.804 3.843 0.093 8 0 "[ . 1 . 2]" 1
134 1 8 THR H 1 8 THR MG . . 4.300 2.691 1.897 3.778 . 0 0 "[ . 1 . 2]" 1
135 1 8 THR H 1 12 ASN H . . 5.500 5.272 4.826 5.540 0.040 20 0 "[ . 1 . 2]" 1
136 1 8 THR H 1 13 GLU H . . 3.490 3.195 2.671 3.505 0.015 4 0 "[ . 1 . 2]" 1
137 1 8 THR H 1 13 GLU HG2 . . 5.500 4.210 3.676 5.505 0.005 7 0 "[ . 1 . 2]" 1
138 1 8 THR H 1 13 GLU HG3 . . 5.500 5.322 3.821 5.525 0.025 11 0 "[ . 1 . 2]" 1
139 1 8 THR HA 1 8 THR MG . . 3.510 2.533 1.959 3.202 . 0 0 "[ . 1 . 2]" 1
140 1 8 THR HA 1 9 LYS H . . 2.670 2.254 2.163 2.714 0.044 8 0 "[ . 1 . 2]" 1
141 1 8 THR HA 1 40 ASN H . . 3.570 2.362 1.950 2.860 . 0 0 "[ . 1 . 2]" 1
142 1 8 THR HB 1 10 SER H . . 4.800 3.378 2.547 4.650 . 0 0 "[ . 1 . 2]" 1
143 1 8 THR HB 1 11 LYS H . . 5.380 3.634 1.950 5.006 . 0 0 "[ . 1 . 2]" 1
144 1 8 THR HB 1 39 ASP HA . . 5.280 4.451 3.440 5.287 0.007 3 0 "[ . 1 . 2]" 1
145 1 8 THR HB 1 40 ASN H . . 5.500 4.400 3.563 5.553 0.053 15 0 "[ . 1 . 2]" 1
146 1 8 THR MG 1 11 LYS H . . 4.490 3.502 1.878 4.502 0.012 5 0 "[ . 1 . 2]" 1
147 1 8 THR MG 1 13 GLU H . . 5.280 4.516 3.343 5.359 0.079 18 0 "[ . 1 . 2]" 1
148 1 8 THR MG 1 13 GLU HG3 . . 5.410 5.069 4.031 6.300 0.890 18 3 "[- . 1 *. + 2]" 1
149 1 8 THR MG 1 40 ASN H . . 4.740 3.748 2.732 4.786 0.046 13 0 "[ . 1 . 2]" 1
150 1 9 LYS H 1 9 LYS QB . . 3.120 2.597 2.112 3.142 0.022 8 0 "[ . 1 . 2]" 1
151 1 9 LYS H 1 9 LYS QG . . 3.140 2.183 1.910 3.194 0.054 8 0 "[ . 1 . 2]" 1
152 1 9 LYS H 1 10 SER H . . 3.970 2.804 2.565 4.043 0.073 8 0 "[ . 1 . 2]" 1
153 1 9 LYS H 1 36 CYS QB . . 5.500 4.702 3.352 5.209 . 0 0 "[ . 1 . 2]" 1
154 1 9 LYS H 1 38 LYS H . . 5.460 4.098 3.567 4.511 . 0 0 "[ . 1 . 2]" 1
155 1 9 LYS H 1 38 LYS HA . . 5.500 4.977 4.258 5.516 0.016 14 0 "[ . 1 . 2]" 1
156 1 9 LYS H 1 39 ASP HA . . 3.310 2.566 2.301 3.185 . 0 0 "[ . 1 . 2]" 1
157 1 9 LYS H 1 39 ASP QB . . 5.320 4.093 3.216 4.809 . 0 0 "[ . 1 . 2]" 1
158 1 9 LYS H 1 40 ASN H . . 4.490 3.663 3.304 4.052 . 0 0 "[ . 1 . 2]" 1
159 1 9 LYS HA 1 9 LYS QG . . 3.510 2.947 2.133 3.339 . 0 0 "[ . 1 . 2]" 1
160 1 9 LYS HA 1 36 CYS QB . . 3.750 3.042 1.990 3.679 . 0 0 "[ . 1 . 2]" 1
161 1 9 LYS HA 1 38 LYS H . . 5.500 3.103 2.469 3.589 . 0 0 "[ . 1 . 2]" 1
162 1 9 LYS QB 1 10 SER H . . 3.800 3.130 1.988 3.607 . 0 0 "[ . 1 . 2]" 1
163 1 9 LYS QB 1 10 SER HA . . 4.780 4.106 3.655 4.342 . 0 0 "[ . 1 . 2]" 1
164 1 9 LYS QB 1 38 LYS H . . 3.880 3.153 2.075 4.000 0.120 11 0 "[ . 1 . 2]" 1
165 1 9 LYS QB 1 39 ASP H . . 4.170 3.922 3.174 4.350 0.180 5 0 "[ . 1 . 2]" 1
166 1 9 LYS QE 1 38 LYS H . . 5.360 4.436 2.744 5.141 . 0 0 "[ . 1 . 2]" 1
167 1 9 LYS QG 1 10 SER H . . 4.100 2.926 2.002 4.127 0.027 5 0 "[ . 1 . 2]" 1
168 1 9 LYS QG 1 38 LYS H . . 4.950 3.412 1.934 4.792 . 0 0 "[ . 1 . 2]" 1
169 1 9 LYS QG 1 38 LYS HA . . 4.020 3.451 2.556 4.044 0.024 20 0 "[ . 1 . 2]" 1
170 1 9 LYS QG 1 39 ASP H . . 4.090 3.069 2.233 3.999 . 0 0 "[ . 1 . 2]" 1
171 1 9 LYS QG 1 39 ASP HA . . 2.920 2.789 2.315 2.990 0.070 8 0 "[ . 1 . 2]" 1
172 1 9 LYS QG 1 39 ASP QB . . 4.900 3.309 2.360 3.993 . 0 0 "[ . 1 . 2]" 1
173 1 10 SER H 1 10 SER HB2 . . 3.720 3.591 3.473 3.699 . 0 0 "[ . 1 . 2]" 1
174 1 10 SER H 1 10 SER HB3 . . 4.130 2.735 2.235 3.163 . 0 0 "[ . 1 . 2]" 1
175 1 10 SER H 1 11 LYS H . . 4.620 2.515 2.287 2.797 . 0 0 "[ . 1 . 2]" 1
176 1 10 SER HA 1 10 SER HB2 . . 2.550 2.485 2.284 2.694 0.144 3 0 "[ . 1 . 2]" 1
177 1 10 SER HA 1 10 SER HB3 . . 2.710 2.450 2.283 2.694 . 0 0 "[ . 1 . 2]" 1
178 1 10 SER HB2 1 11 LYS H . . 4.920 4.057 3.176 4.509 . 0 0 "[ . 1 . 2]" 1
179 1 10 SER HB3 1 11 LYS H . . 4.930 4.192 3.736 4.626 . 0 0 "[ . 1 . 2]" 1
180 1 11 LYS H 1 12 ASN H . . 3.980 3.882 3.397 4.088 0.108 8 0 "[ . 1 . 2]" 1
181 1 11 LYS HA 1 11 LYS QE . . 4.200 3.481 2.075 4.110 . 0 0 "[ . 1 . 2]" 1
182 1 12 ASN H 1 12 ASN HB2 . . 3.590 2.702 2.566 2.854 . 0 0 "[ . 1 . 2]" 1
183 1 12 ASN H 1 12 ASN HB3 . . 4.190 2.466 2.398 2.569 . 0 0 "[ . 1 . 2]" 1
184 1 12 ASN H 1 12 ASN QD . . 5.060 4.407 4.237 4.561 . 0 0 "[ . 1 . 2]" 1
185 1 12 ASN H 1 13 GLU H . . 3.840 3.741 3.520 3.892 0.052 18 0 "[ . 1 . 2]" 1
186 1 12 ASN H 1 13 GLU HB3 . . 4.690 4.616 4.379 4.751 0.061 7 0 "[ . 1 . 2]" 1
187 1 12 ASN HA 1 13 GLU H . . 3.140 2.457 2.373 2.594 . 0 0 "[ . 1 . 2]" 1
188 1 12 ASN HA 1 36 CYS QB . . 4.090 2.850 2.285 3.435 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASN HB2 1 13 GLU H . . 4.870 4.635 4.602 4.657 . 0 0 "[ . 1 . 2]" 1
190 1 12 ASN HB3 1 12 ASN QD . . 3.090 2.140 2.098 2.441 . 0 0 "[ . 1 . 2]" 1
191 1 12 ASN HB3 1 13 GLU HB3 . . 5.500 5.245 5.043 5.477 . 0 0 "[ . 1 . 2]" 1
192 1 12 ASN HB3 1 36 CYS H . . 4.880 4.405 3.544 4.889 0.009 17 0 "[ . 1 . 2]" 1
193 1 12 ASN QD 1 28 CYS H . . 5.050 3.223 2.808 4.154 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASN QD 1 28 CYS HB2 . . 3.780 2.298 1.930 3.099 . 0 0 "[ . 1 . 2]" 1
195 1 12 ASN QD 1 28 CYS HB3 . . 3.960 3.502 1.936 3.872 . 0 0 "[ . 1 . 2]" 1
196 1 12 ASN QD 1 29 PRO HA . . 5.500 4.898 4.593 5.073 . 0 0 "[ . 1 . 2]" 1
197 1 12 ASN QD 1 30 LYS H . . 5.500 3.349 2.699 4.805 . 0 0 "[ . 1 . 2]" 1
198 1 12 ASN QD 1 30 LYS QB . . 5.500 2.005 1.846 2.408 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASN QD 1 30 LYS QG . . 5.030 2.764 2.028 3.607 . 0 0 "[ . 1 . 2]" 1
200 1 12 ASN QD 1 35 LYS HA . . 3.970 3.358 2.292 3.744 . 0 0 "[ . 1 . 2]" 1
201 1 12 ASN QD 1 35 LYS QG . . 5.500 3.493 2.311 4.608 . 0 0 "[ . 1 . 2]" 1
202 1 12 ASN QD 1 36 CYS H . . 4.550 3.732 2.869 4.250 . 0 0 "[ . 1 . 2]" 1
203 1 13 GLU H 1 13 GLU HB2 . . 4.090 3.857 3.778 3.913 . 0 0 "[ . 1 . 2]" 1
204 1 13 GLU H 1 13 GLU HB3 . . 3.760 3.081 2.914 3.294 . 0 0 "[ . 1 . 2]" 1
205 1 13 GLU H 1 13 GLU HG2 . . 4.890 2.406 2.141 3.781 . 0 0 "[ . 1 . 2]" 1
206 1 13 GLU H 1 13 GLU HG3 . . 4.830 3.531 2.196 4.007 . 0 0 "[ . 1 . 2]" 1
207 1 13 GLU H 1 14 CYS H . . 4.990 4.399 4.308 4.491 . 0 0 "[ . 1 . 2]" 1
208 1 13 GLU H 1 14 CYS HA . . 5.500 4.871 4.750 4.996 . 0 0 "[ . 1 . 2]" 1
209 1 13 GLU H 1 27 LYS HA . . 5.370 4.426 4.118 4.844 . 0 0 "[ . 1 . 2]" 1
210 1 13 GLU H 1 28 CYS H . . 5.080 4.905 4.677 5.168 0.088 20 0 "[ . 1 . 2]" 1
211 1 13 GLU HA 1 14 CYS H . . 2.790 2.244 2.171 2.394 . 0 0 "[ . 1 . 2]" 1
212 1 13 GLU HA 1 14 CYS HB3 . . 5.090 4.805 4.320 5.449 0.359 6 0 "[ . 1 . 2]" 1
213 1 13 GLU HA 1 26 ILE MG . . 5.420 4.487 4.109 5.170 . 0 0 "[ . 1 . 2]" 1
214 1 13 GLU HA 1 27 LYS H . . 5.330 4.130 3.418 4.694 . 0 0 "[ . 1 . 2]" 1
215 1 13 GLU HA 1 27 LYS HA . . 3.060 2.045 1.967 2.339 . 0 0 "[ . 1 . 2]" 1
216 1 13 GLU HA 1 28 CYS H . . 2.940 2.692 2.478 2.894 . 0 0 "[ . 1 . 2]" 1
217 1 13 GLU HB2 1 14 CYS H . . 3.950 2.912 2.461 3.186 . 0 0 "[ . 1 . 2]" 1
218 1 13 GLU HB2 1 25 PHE QB . . 4.310 3.095 2.776 3.559 . 0 0 "[ . 1 . 2]" 1
219 1 13 GLU HB2 1 25 PHE QD . . 4.330 4.098 3.759 4.329 . 0 0 "[ . 1 . 2]" 1
220 1 13 GLU HB2 1 26 ILE H . . 3.750 2.818 2.355 3.134 . 0 0 "[ . 1 . 2]" 1
221 1 13 GLU HB3 1 14 CYS H . . 4.430 4.091 3.798 4.256 . 0 0 "[ . 1 . 2]" 1
222 1 13 GLU HB3 1 25 PHE QD . . 5.020 4.989 4.757 5.130 0.110 15 0 "[ . 1 . 2]" 1
223 1 13 GLU HB3 1 26 ILE H . . 4.810 4.542 3.993 4.843 0.033 18 0 "[ . 1 . 2]" 1
224 1 13 GLU HB3 1 27 LYS HA . . 3.130 2.727 2.376 3.170 0.040 18 0 "[ . 1 . 2]" 1
225 1 13 GLU HG2 1 14 CYS H . . 4.890 4.610 4.248 4.889 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLU HG2 1 25 PHE QB . . 5.370 4.123 3.548 4.755 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLU HG2 1 25 PHE QD . . 4.620 3.667 3.333 4.091 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLU HG2 1 25 PHE QE . . 5.500 5.275 4.836 5.518 0.018 17 0 "[ . 1 . 2]" 1
229 1 13 GLU HG2 1 26 ILE H . . 5.280 5.264 4.867 5.540 0.260 11 0 "[ . 1 . 2]" 1
230 1 13 GLU HG2 1 27 LYS HA . . 4.970 4.917 4.655 5.189 0.219 18 0 "[ . 1 . 2]" 1
231 1 13 GLU HG3 1 14 CYS H . . 4.780 3.957 3.667 4.488 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLU HG3 1 25 PHE QB . . 5.350 2.857 2.105 5.101 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLU HG3 1 25 PHE QD . . 4.910 2.399 1.994 4.282 . 0 0 "[ . 1 . 2]" 1
234 1 13 GLU HG3 1 26 ILE H . . 5.500 4.002 3.697 5.503 0.003 7 0 "[ . 1 . 2]" 1
235 1 14 CYS H 1 14 CYS HB2 . . 3.500 2.653 2.081 3.545 0.045 15 0 "[ . 1 . 2]" 1
236 1 14 CYS H 1 14 CYS HB3 . . 3.230 2.617 2.260 3.282 0.052 6 0 "[ . 1 . 2]" 1
237 1 14 CYS H 1 15 LYS H . . 4.780 4.380 4.197 4.633 . 0 0 "[ . 1 . 2]" 1
238 1 14 CYS H 1 25 PHE HA . . 4.910 4.376 3.960 4.693 . 0 0 "[ . 1 . 2]" 1
239 1 14 CYS H 1 25 PHE QB . . 5.410 4.887 4.427 5.116 . 0 0 "[ . 1 . 2]" 1
240 1 14 CYS H 1 25 PHE QD . . 5.500 5.372 4.866 5.511 0.011 17 0 "[ . 1 . 2]" 1
241 1 14 CYS H 1 26 ILE H . . 3.550 2.897 2.501 3.441 . 0 0 "[ . 1 . 2]" 1
242 1 14 CYS H 1 26 ILE MG . . 4.370 3.053 2.415 3.801 . 0 0 "[ . 1 . 2]" 1
243 1 14 CYS H 1 27 LYS HA . . 3.810 3.628 3.188 3.844 0.034 8 0 "[ . 1 . 2]" 1
244 1 14 CYS H 1 28 CYS H . . 4.070 3.996 3.461 4.141 0.071 6 0 "[ . 1 . 2]" 1
245 1 14 CYS H 1 52 VAL QG . . 5.470 3.891 3.324 4.423 . 0 0 "[ . 1 . 2]" 1
246 1 14 CYS HB2 1 15 LYS H . . 5.170 4.289 2.923 4.629 . 0 0 "[ . 1 . 2]" 1
247 1 14 CYS HB2 1 26 ILE H . . 4.820 4.634 3.770 4.908 0.088 9 0 "[ . 1 . 2]" 1
248 1 14 CYS HB2 1 26 ILE MG . . 4.090 3.491 2.401 4.197 0.107 15 0 "[ . 1 . 2]" 1
249 1 14 CYS HB2 1 45 VAL MG2 . . 5.200 3.131 2.415 3.689 . 0 0 "[ . 1 . 2]" 1
250 1 14 CYS HB2 1 52 VAL QG . . 4.230 2.867 1.923 3.489 . 0 0 "[ . 1 . 2]" 1
251 1 14 CYS HB3 1 15 LYS H . . 4.650 4.254 3.922 4.455 . 0 0 "[ . 1 . 2]" 1
252 1 14 CYS HB3 1 26 ILE H . . 4.170 3.637 3.158 4.380 0.210 6 0 "[ . 1 . 2]" 1
253 1 14 CYS HB3 1 26 ILE MG . . 3.550 2.598 2.012 3.462 . 0 0 "[ . 1 . 2]" 1
254 1 14 CYS HB3 1 45 VAL MG2 . . 4.600 2.882 1.950 3.447 . 0 0 "[ . 1 . 2]" 1
255 1 14 CYS HB3 1 52 VAL QG . . 4.430 3.231 2.574 3.942 . 0 0 "[ . 1 . 2]" 1
256 1 15 LYS H 1 15 LYS QB . . 3.380 2.740 2.285 3.131 . 0 0 "[ . 1 . 2]" 1
257 1 15 LYS H 1 25 PHE HA . . 5.260 4.941 4.661 5.245 . 0 0 "[ . 1 . 2]" 1
258 1 15 LYS H 1 25 PHE QD . . 5.500 4.542 4.231 4.892 . 0 0 "[ . 1 . 2]" 1
259 1 15 LYS H 1 25 PHE QE . . 5.500 5.102 4.907 5.525 0.025 18 0 "[ . 1 . 2]" 1
260 1 15 LYS HA 1 16 TYR H . . 2.740 2.412 2.155 2.653 . 0 0 "[ . 1 . 2]" 1
261 1 15 LYS HA 1 24 THR H . . 4.900 4.295 3.817 4.926 0.026 18 0 "[ . 1 . 2]" 1
262 1 15 LYS HA 1 25 PHE HA . . 3.420 3.024 2.682 3.465 0.045 9 0 "[ . 1 . 2]" 1
263 1 15 LYS HA 1 25 PHE QD . . 4.290 3.077 2.545 3.518 . 0 0 "[ . 1 . 2]" 1
264 1 15 LYS HA 1 25 PHE QE . . 4.890 3.576 2.980 4.060 . 0 0 "[ . 1 . 2]" 1
265 1 15 LYS QB 1 16 TYR H . . 4.390 3.932 3.615 4.021 . 0 0 "[ . 1 . 2]" 1
266 1 15 LYS QB 1 25 PHE QD . . 3.710 2.480 2.250 3.031 . 0 0 "[ . 1 . 2]" 1
267 1 15 LYS QB 1 25 PHE QE . . 2.990 2.067 1.882 2.417 . 0 0 "[ . 1 . 2]" 1
268 1 16 TYR H 1 16 TYR HB2 . . 4.070 3.735 3.618 3.876 . 0 0 "[ . 1 . 2]" 1
269 1 16 TYR H 1 16 TYR HB3 . . 3.800 2.790 2.536 3.162 . 0 0 "[ . 1 . 2]" 1
270 1 16 TYR H 1 16 TYR QD . . 3.500 2.121 1.933 2.546 . 0 0 "[ . 1 . 2]" 1
271 1 16 TYR H 1 16 TYR QE . . 5.320 4.055 3.862 4.207 . 0 0 "[ . 1 . 2]" 1
272 1 16 TYR H 1 17 LYS H . . 5.060 4.442 4.354 4.525 . 0 0 "[ . 1 . 2]" 1
273 1 16 TYR H 1 24 THR MG . . 5.500 4.462 4.060 4.902 . 0 0 "[ . 1 . 2]" 1
274 1 16 TYR H 1 25 PHE QD . . 5.500 5.116 4.374 5.484 . 0 0 "[ . 1 . 2]" 1
275 1 16 TYR HA 1 16 TYR QD . . 3.810 3.729 3.711 3.738 . 0 0 "[ . 1 . 2]" 1
276 1 16 TYR HA 1 17 LYS H . . 2.850 2.613 2.513 2.714 . 0 0 "[ . 1 . 2]" 1
277 1 16 TYR HB2 1 17 LYS H . . 3.220 2.161 2.040 2.254 . 0 0 "[ . 1 . 2]" 1
278 1 16 TYR HB2 1 45 VAL MG2 . . 5.350 4.882 3.962 5.367 0.017 19 0 "[ . 1 . 2]" 1
279 1 16 TYR HB3 1 17 LYS H . . 3.700 3.650 3.561 3.714 0.014 20 0 "[ . 1 . 2]" 1
280 1 16 TYR HB3 1 45 VAL MG1 . . 5.500 5.389 4.646 5.525 0.025 18 0 "[ . 1 . 2]" 1
281 1 16 TYR HB3 1 45 VAL MG2 . . 4.880 3.905 2.817 4.292 . 0 0 "[ . 1 . 2]" 1
282 1 16 TYR QD 1 17 LYS H . . 3.850 2.526 2.258 3.101 . 0 0 "[ . 1 . 2]" 1
283 1 16 TYR QD 1 17 LYS HA . . 5.470 3.923 3.617 4.418 . 0 0 "[ . 1 . 2]" 1
284 1 16 TYR QD 1 18 ASN H . . 5.100 4.227 3.967 4.397 . 0 0 "[ . 1 . 2]" 1
285 1 16 TYR QD 1 18 ASN HA . . 3.810 3.798 3.445 3.835 0.025 18 0 "[ . 1 . 2]" 1
286 1 16 TYR QD 1 18 ASN HB3 . . 4.840 3.653 3.279 3.941 . 0 0 "[ . 1 . 2]" 1
287 1 16 TYR QD 1 24 THR MG . . 4.770 3.862 3.449 4.773 0.003 18 0 "[ . 1 . 2]" 1
288 1 16 TYR QD 1 25 PHE HA . . 4.920 4.458 3.672 4.842 . 0 0 "[ . 1 . 2]" 1
289 1 16 TYR QD 1 26 ILE H . . 5.120 4.880 4.207 5.152 0.032 20 0 "[ . 1 . 2]" 1
290 1 16 TYR QD 1 26 ILE MG . . 4.270 3.799 3.208 4.310 0.040 15 0 "[ . 1 . 2]" 1
291 1 16 TYR QD 1 45 VAL HB . . 5.080 4.090 3.348 4.550 . 0 0 "[ . 1 . 2]" 1
292 1 16 TYR QD 1 45 VAL MG1 . . 5.220 4.210 3.545 4.771 . 0 0 "[ . 1 . 2]" 1
293 1 16 TYR QD 1 45 VAL MG2 . . 3.950 3.122 2.395 3.693 . 0 0 "[ . 1 . 2]" 1
294 1 16 TYR QE 1 18 ASN H . . 5.500 4.207 3.868 4.716 . 0 0 "[ . 1 . 2]" 1
295 1 16 TYR QE 1 18 ASN HA . . 3.600 3.287 2.365 3.604 0.004 20 0 "[ . 1 . 2]" 1
296 1 16 TYR QE 1 18 ASN HB2 . . 5.050 2.885 2.579 3.070 . 0 0 "[ . 1 . 2]" 1
297 1 16 TYR QE 1 18 ASN HB3 . . 4.480 2.142 1.995 2.539 . 0 0 "[ . 1 . 2]" 1
298 1 16 TYR QE 1 18 ASN HD21 . . 5.500 4.370 4.172 4.697 . 0 0 "[ . 1 . 2]" 1
299 1 16 TYR QE 1 19 ASP H . . 5.500 4.965 4.155 5.238 . 0 0 "[ . 1 . 2]" 1
300 1 16 TYR QE 1 24 THR MG . . 3.810 2.571 2.024 3.597 . 0 0 "[ . 1 . 2]" 1
301 1 16 TYR QE 1 26 ILE H . . 5.040 4.679 3.962 5.013 . 0 0 "[ . 1 . 2]" 1
302 1 16 TYR QE 1 26 ILE MG . . 3.780 2.662 2.011 3.267 . 0 0 "[ . 1 . 2]" 1
303 1 16 TYR QE 1 45 VAL MG1 . . 4.450 3.288 2.279 4.400 . 0 0 "[ . 1 . 2]" 1
304 1 16 TYR QE 1 45 VAL MG2 . . 4.370 3.082 2.015 4.048 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS H 1 17 LYS HG3 . . 4.430 3.636 2.901 4.816 0.386 12 0 "[ . 1 . 2]" 1
306 1 17 LYS H 1 18 ASN H . . 5.070 4.350 4.136 4.483 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS HA 1 18 ASN H . . 2.660 2.169 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
308 1 17 LYS HA 1 18 ASN HA . . 4.710 4.400 4.391 4.425 . 0 0 "[ . 1 . 2]" 1
309 1 17 LYS HA 1 24 THR HB . . 5.360 4.045 3.171 5.116 . 0 0 "[ . 1 . 2]" 1
310 1 17 LYS HG2 1 18 ASN H . . 5.140 4.216 2.337 5.171 0.031 9 0 "[ . 1 . 2]" 1
311 1 17 LYS HG3 1 18 ASN H . . 5.170 4.399 3.147 5.111 . 0 0 "[ . 1 . 2]" 1
312 1 18 ASN H 1 18 ASN HB3 . . 3.620 2.761 2.437 2.913 . 0 0 "[ . 1 . 2]" 1
313 1 18 ASN H 1 18 ASN HD21 . . 5.500 1.897 1.892 1.900 . 0 0 "[ . 1 . 2]" 1
314 1 18 ASN H 1 22 LYS H . . 3.300 3.186 2.969 3.305 0.005 18 0 "[ . 1 . 2]" 1
315 1 18 ASN H 1 24 THR H . . 4.790 4.550 4.032 4.808 0.018 2 0 "[ . 1 . 2]" 1
316 1 18 ASN H 1 24 THR HB . . 5.150 4.079 3.557 4.950 . 0 0 "[ . 1 . 2]" 1
317 1 18 ASN H 1 24 THR MG . . 5.500 4.955 4.486 5.512 0.012 8 0 "[ . 1 . 2]" 1
318 1 18 ASN HA 1 18 ASN HD21 . . 4.770 3.883 3.785 3.938 . 0 0 "[ . 1 . 2]" 1
319 1 18 ASN HA 1 19 ASP H . . 3.320 2.440 2.233 2.568 . 0 0 "[ . 1 . 2]" 1
320 1 18 ASN HB2 1 19 ASP H . . 3.080 2.567 2.347 3.046 . 0 0 "[ . 1 . 2]" 1
321 1 18 ASN HB2 1 24 THR HB . . 5.500 5.352 4.747 5.511 0.011 7 0 "[ . 1 . 2]" 1
322 1 18 ASN HB2 1 24 THR MG . . 5.330 4.903 4.303 5.171 . 0 0 "[ . 1 . 2]" 1
323 1 18 ASN HB3 1 18 ASN HD21 . . 3.600 2.493 2.438 2.589 . 0 0 "[ . 1 . 2]" 1
324 1 18 ASN HB3 1 19 ASP H . . 4.220 3.926 3.765 4.229 0.009 2 0 "[ . 1 . 2]" 1
325 1 18 ASN HB3 1 24 THR MG . . 4.750 3.779 3.095 4.336 . 0 0 "[ . 1 . 2]" 1
326 1 18 ASN HD21 1 19 ASP H . . 4.940 4.732 4.513 4.947 0.007 2 0 "[ . 1 . 2]" 1
327 1 18 ASN HD21 1 22 LYS HB2 . . 4.350 3.339 2.572 4.599 0.249 12 0 "[ . 1 . 2]" 1
328 1 18 ASN HD21 1 22 LYS HB3 . . 4.730 2.756 2.256 3.503 . 0 0 "[ . 1 . 2]" 1
329 1 18 ASN HD21 1 24 THR HA . . 5.500 4.762 4.440 5.097 . 0 0 "[ . 1 . 2]" 1
330 1 18 ASN HD21 1 24 THR HB . . 5.500 3.516 2.686 4.324 . 0 0 "[ . 1 . 2]" 1
331 1 18 ASN HD21 1 24 THR MG . . 4.910 3.933 3.461 4.422 . 0 0 "[ . 1 . 2]" 1
332 1 18 ASN HD22 1 22 LYS HB2 . . 3.830 3.046 2.244 3.993 0.163 12 0 "[ . 1 . 2]" 1
333 1 18 ASN HD22 1 22 LYS HB3 . . 4.230 2.295 1.951 3.204 . 0 0 "[ . 1 . 2]" 1
334 1 18 ASN HD22 1 24 THR MG . . 5.500 4.188 3.699 4.586 . 0 0 "[ . 1 . 2]" 1
335 1 19 ASP H 1 19 ASP HB2 . . 3.500 3.179 3.175 3.229 . 0 0 "[ . 1 . 2]" 1
336 1 19 ASP H 1 19 ASP HB3 . . 3.790 3.780 3.529 3.796 0.006 1 0 "[ . 1 . 2]" 1
337 1 19 ASP H 1 20 ALA MB . . 5.470 5.190 5.137 5.280 . 0 0 "[ . 1 . 2]" 1
338 1 19 ASP H 1 22 LYS H . . 5.260 5.199 5.084 5.289 0.029 18 0 "[ . 1 . 2]" 1
339 1 19 ASP HB2 1 20 ALA H . . 4.320 3.353 3.343 3.463 . 0 0 "[ . 1 . 2]" 1
340 1 19 ASP HB2 1 20 ALA MB . . 5.310 4.807 4.785 4.829 . 0 0 "[ . 1 . 2]" 1
341 1 19 ASP HB3 1 20 ALA H . . 4.240 1.917 1.873 1.930 . 0 0 "[ . 1 . 2]" 1
342 1 19 ASP HB3 1 22 LYS HB2 . . 2.730 2.556 2.386 3.180 0.450 12 0 "[ . 1 . 2]" 1
343 1 19 ASP HB3 1 22 LYS HG2 . . 4.390 4.218 3.082 5.131 0.741 3 2 "[ + . 1 . -2]" 1
344 1 20 ALA H 1 20 ALA MB . . 3.140 2.889 2.846 2.919 . 0 0 "[ . 1 . 2]" 1
345 1 20 ALA H 1 21 GLY H . . 3.000 2.195 2.012 2.624 . 0 0 "[ . 1 . 2]" 1
346 1 20 ALA H 1 21 GLY HA2 . . 4.610 4.448 4.363 4.638 0.028 19 0 "[ . 1 . 2]" 1
347 1 20 ALA H 1 21 GLY HA3 . . 4.830 4.407 4.264 4.597 . 0 0 "[ . 1 . 2]" 1
348 1 20 ALA H 1 22 LYS H . . 3.900 2.411 2.326 2.538 . 0 0 "[ . 1 . 2]" 1
349 1 20 ALA HA 1 22 LYS H . . 4.480 4.430 4.237 4.500 0.020 15 0 "[ . 1 . 2]" 1
350 1 20 ALA MB 1 21 GLY H . . 4.200 3.698 3.684 3.723 . 0 0 "[ . 1 . 2]" 1
351 1 20 ALA MB 1 21 GLY HA2 . . 4.770 4.961 4.859 5.060 0.290 2 0 "[ . 1 . 2]" 1
352 1 20 ALA MB 1 21 GLY HA3 . . 5.500 4.198 4.160 4.301 . 0 0 "[ . 1 . 2]" 1
353 1 20 ALA MB 1 22 LYS H . . 4.380 4.385 4.335 4.411 0.031 18 0 "[ . 1 . 2]" 1
354 1 21 GLY H 1 22 LYS H . . 3.220 2.069 1.922 2.389 . 0 0 "[ . 1 . 2]" 1
355 1 22 LYS H 1 22 LYS HB2 . . 3.160 2.221 2.109 2.924 . 0 0 "[ . 1 . 2]" 1
356 1 22 LYS H 1 22 LYS HB3 . . 3.630 3.233 2.313 3.577 . 0 0 "[ . 1 . 2]" 1
357 1 22 LYS H 1 22 LYS HG2 . . 4.200 3.789 2.968 4.400 0.200 3 0 "[ . 1 . 2]" 1
358 1 22 LYS H 1 22 LYS HG3 . . 4.670 4.003 2.984 4.526 . 0 0 "[ . 1 . 2]" 1
359 1 22 LYS H 1 23 ASP H . . 4.680 4.447 4.340 4.612 . 0 0 "[ . 1 . 2]" 1
360 1 22 LYS HA 1 23 ASP H . . 2.570 2.182 2.140 2.585 0.015 19 0 "[ . 1 . 2]" 1
361 1 22 LYS HB2 1 22 LYS HG2 . . 3.010 2.700 2.403 3.001 . 0 0 "[ . 1 . 2]" 1
362 1 22 LYS HB2 1 23 ASP H . . 4.640 4.423 3.785 4.609 . 0 0 "[ . 1 . 2]" 1
363 1 22 LYS HB3 1 23 ASP H . . 3.900 3.664 2.717 4.113 0.213 12 0 "[ . 1 . 2]" 1
364 1 23 ASP H 1 23 ASP HB3 . . 3.610 3.218 2.491 3.771 0.161 19 0 "[ . 1 . 2]" 1
365 1 23 ASP H 1 25 PHE QE . . 5.500 5.395 4.485 5.529 0.029 18 0 "[ . 1 . 2]" 1
366 1 23 ASP HA 1 24 THR H . . 2.790 2.168 2.138 2.260 . 0 0 "[ . 1 . 2]" 1
367 1 23 ASP HA 1 24 THR HB . . 4.750 4.606 4.488 4.754 0.004 6 0 "[ . 1 . 2]" 1
368 1 23 ASP HA 1 25 PHE QE . . 5.100 4.131 3.120 4.761 . 0 0 "[ . 1 . 2]" 1
369 1 23 ASP HB3 1 24 THR H . . 4.340 3.690 2.954 4.415 0.075 2 0 "[ . 1 . 2]" 1
370 1 23 ASP HB3 1 25 PHE QE . . 3.880 2.773 1.999 4.401 0.521 2 1 "[ + . 1 . 2]" 1
371 1 24 THR H 1 24 THR HB . . 3.430 2.805 2.609 3.034 . 0 0 "[ . 1 . 2]" 1
372 1 24 THR H 1 24 THR MG . . 4.380 3.908 3.833 4.010 . 0 0 "[ . 1 . 2]" 1
373 1 24 THR H 1 25 PHE H . . 5.080 4.284 4.174 4.471 . 0 0 "[ . 1 . 2]" 1
374 1 24 THR HA 1 24 THR MG . . 3.360 2.374 2.139 2.422 . 0 0 "[ . 1 . 2]" 1
375 1 24 THR HA 1 25 PHE H . . 2.770 2.168 2.145 2.241 . 0 0 "[ . 1 . 2]" 1
376 1 24 THR HA 1 25 PHE QD . . 3.690 3.189 3.097 3.331 . 0 0 "[ . 1 . 2]" 1
377 1 24 THR HA 1 25 PHE QE . . 4.460 4.424 4.065 4.504 0.044 2 0 "[ . 1 . 2]" 1
378 1 24 THR HB 1 25 PHE H . . 4.800 4.120 3.907 4.233 . 0 0 "[ . 1 . 2]" 1
379 1 24 THR HB 1 25 PHE QD . . 5.430 5.385 5.117 5.468 0.038 20 0 "[ . 1 . 2]" 1
380 1 24 THR MG 1 25 PHE H . . 3.410 2.493 2.166 2.676 . 0 0 "[ . 1 . 2]" 1
381 1 24 THR MG 1 25 PHE HA . . 5.100 3.535 3.407 3.913 . 0 0 "[ . 1 . 2]" 1
382 1 24 THR MG 1 25 PHE QB . . 4.830 4.383 4.265 4.598 . 0 0 "[ . 1 . 2]" 1
383 1 24 THR MG 1 25 PHE QD . . 5.180 4.405 4.224 4.507 . 0 0 "[ . 1 . 2]" 1
384 1 24 THR MG 1 50 ASN HD22 . . 5.500 5.513 5.497 5.546 0.046 14 0 "[ . 1 . 2]" 1
385 1 25 PHE H 1 25 PHE QB . . 3.140 2.689 2.588 2.847 . 0 0 "[ . 1 . 2]" 1
386 1 25 PHE H 1 25 PHE QD . . 3.220 2.606 2.486 2.720 . 0 0 "[ . 1 . 2]" 1
387 1 25 PHE H 1 25 PHE QE . . 5.430 4.690 4.554 4.808 . 0 0 "[ . 1 . 2]" 1
388 1 25 PHE H 1 26 ILE H . . 4.460 4.310 4.115 4.450 . 0 0 "[ . 1 . 2]" 1
389 1 25 PHE HA 1 25 PHE QD . . 3.670 3.107 3.082 3.146 . 0 0 "[ . 1 . 2]" 1
390 1 25 PHE HA 1 25 PHE QE . . 4.860 4.754 4.720 4.827 . 0 0 "[ . 1 . 2]" 1
391 1 25 PHE HA 1 26 ILE H . . 2.760 2.187 2.138 2.378 . 0 0 "[ . 1 . 2]" 1
392 1 25 PHE HA 1 26 ILE MG . . 4.840 3.597 3.328 3.813 . 0 0 "[ . 1 . 2]" 1
393 1 25 PHE QB 1 26 ILE H . . 3.530 3.077 2.500 3.446 . 0 0 "[ . 1 . 2]" 1
394 1 25 PHE QB 1 26 ILE HA . . 4.720 4.048 3.874 4.204 . 0 0 "[ . 1 . 2]" 1
395 1 25 PHE QD 1 26 ILE H . . 4.610 4.360 4.024 4.610 0.000 1 0 "[ . 1 . 2]" 1
396 1 26 ILE H 1 26 ILE MG . . 3.350 2.249 1.956 2.572 . 0 0 "[ . 1 . 2]" 1
397 1 26 ILE H 1 27 LYS H . . 4.720 3.814 2.087 4.336 . 0 0 "[ . 1 . 2]" 1
398 1 26 ILE HA 1 27 LYS H . . 2.650 2.248 2.138 2.835 0.185 6 0 "[ . 1 . 2]" 1
399 1 26 ILE MG 1 27 LYS H . . 4.950 4.021 3.562 4.194 . 0 0 "[ . 1 . 2]" 1
400 1 26 ILE MG 1 27 LYS HA . . 5.500 4.603 4.423 4.773 . 0 0 "[ . 1 . 2]" 1
401 1 26 ILE MG 1 45 VAL HB . . 5.500 5.265 3.928 5.579 0.079 18 0 "[ . 1 . 2]" 1
402 1 26 ILE MG 1 45 VAL MG1 . . 3.950 3.664 2.446 3.969 0.019 13 0 "[ . 1 . 2]" 1
403 1 26 ILE MG 1 45 VAL MG2 . . 3.590 3.148 1.978 3.603 0.013 6 0 "[ . 1 . 2]" 1
404 1 27 LYS HA 1 28 CYS H . . 2.630 2.227 2.141 2.589 . 0 0 "[ . 1 . 2]" 1
405 1 28 CYS H 1 28 CYS HB2 . . 3.180 2.622 2.461 2.685 . 0 0 "[ . 1 . 2]" 1
406 1 28 CYS H 1 28 CYS HB3 . . 3.690 3.606 3.415 3.716 0.026 10 0 "[ . 1 . 2]" 1
407 1 28 CYS H 1 29 PRO QD . . 5.180 4.359 4.301 4.380 . 0 0 "[ . 1 . 2]" 1
408 1 28 CYS H 1 30 LYS QB . . 5.500 5.173 4.891 5.663 0.163 18 0 "[ . 1 . 2]" 1
409 1 28 CYS H 1 52 VAL QG . . 5.500 4.118 3.553 4.845 . 0 0 "[ . 1 . 2]" 1
410 1 28 CYS HA 1 29 PRO QD . . 3.610 2.077 2.014 2.121 . 0 0 "[ . 1 . 2]" 1
411 1 28 CYS HA 1 52 VAL HB . . 4.130 3.669 3.086 4.265 0.135 19 0 "[ . 1 . 2]" 1
412 1 28 CYS HA 1 52 VAL QG . . 3.360 2.472 1.883 3.159 . 0 0 "[ . 1 . 2]" 1
413 1 28 CYS HB2 1 52 VAL QG . . 4.500 3.775 3.371 4.213 . 0 0 "[ . 1 . 2]" 1
414 1 28 CYS HB2 1 54 CYS HB2 . . 4.450 4.228 2.979 5.284 0.834 16 3 "[ *. -1 .+ 2]" 1
415 1 28 CYS HB3 1 29 PRO QB . . 5.070 4.954 4.757 5.118 0.048 15 0 "[ . 1 . 2]" 1
416 1 28 CYS HB3 1 29 PRO QD . . 3.940 2.083 1.941 2.761 . 0 0 "[ . 1 . 2]" 1
417 1 28 CYS HB3 1 30 LYS QB . . 5.190 4.521 3.670 5.215 0.025 10 0 "[ . 1 . 2]" 1
418 1 28 CYS HB3 1 52 VAL QG . . 5.150 2.756 2.003 3.868 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS HB3 1 54 CYS HB2 . . 4.760 4.022 1.994 5.693 0.933 16 4 "[ *. *1 -.+ 2]" 1
420 1 29 PRO HA 1 30 LYS H . . 2.720 2.413 2.152 2.576 . 0 0 "[ . 1 . 2]" 1
421 1 29 PRO HA 1 30 LYS HA . . 4.880 4.367 4.341 4.460 . 0 0 "[ . 1 . 2]" 1
422 1 29 PRO HA 1 30 LYS QG . . 5.290 4.405 4.093 4.937 . 0 0 "[ . 1 . 2]" 1
423 1 29 PRO HA 1 31 PHE H . . 4.230 4.105 3.688 4.400 0.170 13 0 "[ . 1 . 2]" 1
424 1 29 PRO HA 1 31 PHE QD . . 5.500 3.595 2.979 4.501 . 0 0 "[ . 1 . 2]" 1
425 1 29 PRO QB 1 30 LYS H . . 3.920 3.841 3.061 3.979 0.059 14 0 "[ . 1 . 2]" 1
426 1 29 PRO QB 1 31 PHE H . . 4.730 4.635 3.603 4.862 0.132 15 0 "[ . 1 . 2]" 1
427 1 29 PRO QB 1 31 PHE QD . . 4.490 4.371 3.312 4.558 0.068 15 0 "[ . 1 . 2]" 1
428 1 29 PRO QB 1 31 PHE QE . . 5.060 3.899 2.457 5.070 0.010 2 0 "[ . 1 . 2]" 1
429 1 29 PRO QD 1 30 LYS H . . 5.500 4.478 4.217 5.006 . 0 0 "[ . 1 . 2]" 1
430 1 29 PRO QD 1 30 LYS QB . . 5.160 5.106 4.820 5.275 0.115 10 0 "[ . 1 . 2]" 1
431 1 29 PRO QD 1 52 VAL H . . 5.230 4.298 3.398 5.135 . 0 0 "[ . 1 . 2]" 1
432 1 29 PRO QD 1 52 VAL HB . . 3.640 2.657 1.961 4.076 0.436 17 0 "[ . 1 . 2]" 1
433 1 29 PRO QD 1 52 VAL QG . . 3.770 2.435 1.711 3.212 . 0 0 "[ . 1 . 2]" 1
434 1 29 PRO QD 1 53 ASP H . . 5.500 4.942 3.774 5.525 0.025 13 0 "[ . 1 . 2]" 1
435 1 29 PRO QG 1 30 LYS H . . 5.500 4.628 4.517 4.741 . 0 0 "[ . 1 . 2]" 1
436 1 29 PRO QG 1 52 VAL H . . 5.500 4.287 3.479 5.274 . 0 0 "[ . 1 . 2]" 1
437 1 29 PRO QG 1 52 VAL QG . . 5.500 3.577 2.607 4.499 . 0 0 "[ . 1 . 2]" 1
438 1 30 LYS H 1 30 LYS QB . . 3.420 2.806 2.683 3.266 . 0 0 "[ . 1 . 2]" 1
439 1 30 LYS H 1 30 LYS QG . . 3.530 3.228 2.783 3.726 0.196 16 0 "[ . 1 . 2]" 1
440 1 30 LYS H 1 31 PHE H . . 3.100 2.918 2.443 3.188 0.088 13 0 "[ . 1 . 2]" 1
441 1 30 LYS H 1 31 PHE HA . . 5.500 4.269 4.089 4.413 . 0 0 "[ . 1 . 2]" 1
442 1 30 LYS H 1 31 PHE HB2 . . 5.500 5.232 4.788 5.819 0.319 17 0 "[ . 1 . 2]" 1
443 1 30 LYS H 1 31 PHE QD . . 4.960 3.542 2.919 4.264 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS H 1 31 PHE QE . . 5.500 4.385 3.785 5.504 0.004 5 0 "[ . 1 . 2]" 1
445 1 30 LYS HA 1 30 LYS QD . . 3.390 2.418 1.961 3.680 0.290 18 0 "[ . 1 . 2]" 1
446 1 30 LYS HA 1 30 LYS QG . . 3.790 2.847 2.314 3.443 . 0 0 "[ . 1 . 2]" 1
447 1 30 LYS HA 1 31 PHE HA . . 4.480 4.555 4.471 4.631 0.151 9 0 "[ . 1 . 2]" 1
448 1 30 LYS HA 1 35 LYS QG . . 5.500 4.619 3.877 5.301 . 0 0 "[ . 1 . 2]" 1
449 1 30 LYS QB 1 31 PHE H . . 3.860 3.909 3.879 4.047 0.187 10 0 "[ . 1 . 2]" 1
450 1 30 LYS QB 1 34 LYS H . . 3.370 3.021 2.210 3.622 0.252 16 0 "[ . 1 . 2]" 1
451 1 30 LYS QB 1 35 LYS H . . 4.880 3.677 2.816 4.137 . 0 0 "[ . 1 . 2]" 1
452 1 30 LYS QB 1 35 LYS HA . . 5.090 2.462 1.950 3.325 . 0 0 "[ . 1 . 2]" 1
453 1 30 LYS QB 1 54 CYS HB3 . . 5.140 4.457 3.499 5.152 0.012 20 0 "[ . 1 . 2]" 1
454 1 30 LYS QD 1 31 PHE H . . 4.500 4.417 4.164 4.963 0.463 16 0 "[ . 1 . 2]" 1
455 1 30 LYS QD 1 54 CYS HB2 . . 4.250 3.978 2.873 4.771 0.521 10 1 "[ . + . 2]" 1
456 1 30 LYS QD 1 54 CYS HB3 . . 5.500 3.765 2.723 4.969 . 0 0 "[ . 1 . 2]" 1
457 1 30 LYS QG 1 31 PHE H . . 4.870 4.693 4.019 4.845 . 0 0 "[ . 1 . 2]" 1
458 1 31 PHE H 1 31 PHE HB2 . . 3.860 2.863 2.193 3.642 . 0 0 "[ . 1 . 2]" 1
459 1 31 PHE H 1 31 PHE HB3 . . 3.380 3.378 2.601 3.657 0.277 8 0 "[ . 1 . 2]" 1
460 1 31 PHE H 1 31 PHE QD . . 3.860 2.493 2.095 3.004 . 0 0 "[ . 1 . 2]" 1
461 1 31 PHE H 1 31 PHE QE . . 5.340 4.190 3.750 4.985 . 0 0 "[ . 1 . 2]" 1
462 1 31 PHE H 1 32 ASP H . . 4.930 4.053 3.017 4.531 . 0 0 "[ . 1 . 2]" 1
463 1 31 PHE H 1 33 ASN H . . 5.500 4.950 3.742 5.551 0.051 16 0 "[ . 1 . 2]" 1
464 1 31 PHE H 1 34 LYS H . . 5.500 4.929 4.095 5.473 . 0 0 "[ . 1 . 2]" 1
465 1 31 PHE HA 1 31 PHE QE . . 5.500 4.975 4.468 5.639 0.139 5 0 "[ . 1 . 2]" 1
466 1 31 PHE HA 1 32 ASP H . . 2.910 2.356 2.138 2.803 . 0 0 "[ . 1 . 2]" 1
467 1 31 PHE HB2 1 32 ASP H . . 4.520 4.108 2.738 4.588 0.068 20 0 "[ . 1 . 2]" 1
468 1 31 PHE QD 1 32 ASP H . . 4.730 4.535 3.853 4.835 0.105 17 0 "[ . 1 . 2]" 1
469 1 32 ASP H 1 34 LYS H . . 5.500 4.163 2.365 5.494 . 0 0 "[ . 1 . 2]" 1
470 1 32 ASP HA 1 33 ASN H . . 3.220 2.583 2.244 3.464 0.244 15 0 "[ . 1 . 2]" 1
471 1 32 ASP HA 1 33 ASN HA . . 4.450 4.357 4.296 4.589 0.139 12 0 "[ . 1 . 2]" 1
472 1 32 ASP HA 1 34 LYS H . . 4.660 4.292 4.013 4.671 0.011 9 0 "[ . 1 . 2]" 1
473 1 32 ASP HA 1 35 LYS H . . 4.770 4.750 4.510 4.859 0.089 14 0 "[ . 1 . 2]" 1
474 1 32 ASP HB3 1 33 ASN H . . 4.470 4.180 3.290 4.545 0.075 1 0 "[ . 1 . 2]" 1
475 1 32 ASP HB3 1 33 ASN HB2 . . 5.500 4.910 4.278 6.009 0.509 1 1 "[+ . 1 . 2]" 1
476 1 33 ASN H 1 33 ASN HB2 . . 4.020 3.170 2.501 3.751 . 0 0 "[ . 1 . 2]" 1
477 1 33 ASN H 1 33 ASN HB3 . . 3.530 3.376 2.740 3.711 0.181 15 0 "[ . 1 . 2]" 1
478 1 33 ASN H 1 34 LYS H . . 3.240 2.011 1.860 2.369 . 0 0 "[ . 1 . 2]" 1
479 1 33 ASN H 1 35 LYS H . . 4.500 3.465 3.059 4.576 0.076 12 0 "[ . 1 . 2]" 1
480 1 33 ASN HA 1 33 ASN HD22 . . 5.140 4.110 3.430 4.846 . 0 0 "[ . 1 . 2]" 1
481 1 34 LYS H 1 35 LYS H . . 2.730 2.690 2.420 2.885 0.155 10 0 "[ . 1 . 2]" 1
482 1 34 LYS H 1 35 LYS QG . . 5.330 3.719 2.771 4.523 . 0 0 "[ . 1 . 2]" 1
483 1 35 LYS H 1 35 LYS QG . . 3.790 2.908 1.996 3.616 . 0 0 "[ . 1 . 2]" 1
484 1 35 LYS H 1 36 CYS H . . 4.970 4.349 3.409 4.617 . 0 0 "[ . 1 . 2]" 1
485 1 35 LYS HA 1 36 CYS H . . 2.880 2.408 2.149 2.676 . 0 0 "[ . 1 . 2]" 1
486 1 36 CYS H 1 36 CYS QB . . 3.210 2.402 2.102 2.976 . 0 0 "[ . 1 . 2]" 1
487 1 36 CYS H 1 37 THR H . . 5.500 4.558 4.223 4.645 . 0 0 "[ . 1 . 2]" 1
488 1 36 CYS HA 1 37 THR H . . 2.920 2.256 2.148 2.358 . 0 0 "[ . 1 . 2]" 1
489 1 36 CYS HA 1 38 LYS H . . 4.520 4.209 3.955 4.573 0.053 19 0 "[ . 1 . 2]" 1
490 1 36 CYS QB 1 37 THR H . . 5.330 3.269 2.591 3.700 . 0 0 "[ . 1 . 2]" 1
491 1 36 CYS QB 1 38 LYS H . . 5.120 3.656 3.061 4.178 . 0 0 "[ . 1 . 2]" 1
492 1 36 CYS QB 1 41 ASN HD21 . . 5.370 3.766 2.169 4.629 . 0 0 "[ . 1 . 2]" 1
493 1 37 THR H 1 37 THR MG . . 3.790 3.060 2.022 3.470 . 0 0 "[ . 1 . 2]" 1
494 1 37 THR H 1 38 LYS H . . 3.080 2.423 2.053 3.063 . 0 0 "[ . 1 . 2]" 1
495 1 37 THR H 1 38 LYS HA . . 5.500 4.734 4.535 4.933 . 0 0 "[ . 1 . 2]" 1
496 1 37 THR H 1 41 ASN QB . . 5.440 3.983 3.536 4.799 . 0 0 "[ . 1 . 2]" 1
497 1 37 THR H 1 41 ASN HD21 . . 3.940 2.388 1.936 2.959 . 0 0 "[ . 1 . 2]" 1
498 1 37 THR H 1 41 ASN HD22 . . 4.490 2.644 2.187 3.612 . 0 0 "[ . 1 . 2]" 1
499 1 37 THR HA 1 37 THR MG . . 2.790 2.456 2.097 3.191 0.401 12 0 "[ . 1 . 2]" 1
500 1 37 THR HA 1 38 LYS H . . 3.550 2.790 2.557 2.836 . 0 0 "[ . 1 . 2]" 1
501 1 37 THR HA 1 41 ASN HD21 . . 5.500 5.027 4.576 5.520 0.020 3 0 "[ . 1 . 2]" 1
502 1 37 THR HA 1 41 ASN HD22 . . 4.940 4.913 4.478 5.216 0.276 20 0 "[ . 1 . 2]" 1
503 1 37 THR MG 1 38 LYS H . . 4.830 4.197 3.594 4.399 . 0 0 "[ . 1 . 2]" 1
504 1 37 THR MG 1 41 ASN HD21 . . 5.500 4.621 2.732 5.271 . 0 0 "[ . 1 . 2]" 1
505 1 37 THR MG 1 41 ASN HD22 . . 5.500 4.359 1.985 5.552 0.052 15 0 "[ . 1 . 2]" 1
506 1 38 LYS H 1 39 ASP H . . 4.510 4.088 3.790 4.389 . 0 0 "[ . 1 . 2]" 1
507 1 38 LYS H 1 40 ASN H . . 5.500 5.412 5.008 5.647 0.147 19 0 "[ . 1 . 2]" 1
508 1 38 LYS H 1 41 ASN H . . 5.380 5.102 4.630 5.400 0.020 7 0 "[ . 1 . 2]" 1
509 1 38 LYS H 1 41 ASN QB . . 4.650 4.139 3.598 4.511 . 0 0 "[ . 1 . 2]" 1
510 1 38 LYS H 1 41 ASN HD22 . . 4.150 3.603 2.624 4.016 . 0 0 "[ . 1 . 2]" 1
511 1 38 LYS HA 1 39 ASP H . . 2.560 2.243 2.139 2.572 0.012 17 0 "[ . 1 . 2]" 1
512 1 38 LYS HA 1 41 ASN HD22 . . 5.500 4.893 4.251 5.807 0.307 20 0 "[ . 1 . 2]" 1
513 1 39 ASP H 1 39 ASP QB . . 3.060 2.476 2.113 2.866 . 0 0 "[ . 1 . 2]" 1
514 1 39 ASP H 1 40 ASN H . . 4.390 4.460 4.271 4.547 0.157 19 0 "[ . 1 . 2]" 1
515 1 39 ASP HA 1 40 ASN H . . 2.660 2.145 2.138 2.173 . 0 0 "[ . 1 . 2]" 1
516 1 39 ASP HA 1 40 ASN HA . . 4.460 4.365 4.361 4.379 . 0 0 "[ . 1 . 2]" 1
517 1 39 ASP QB 1 40 ASN H . . 3.880 3.458 3.245 3.724 . 0 0 "[ . 1 . 2]" 1
518 1 39 ASP QB 1 40 ASN HD21 . . 5.430 3.839 2.912 5.033 . 0 0 "[ . 1 . 2]" 1
519 1 39 ASP QB 1 40 ASN HD22 . . 5.250 4.528 3.605 5.087 . 0 0 "[ . 1 . 2]" 1
520 1 40 ASN H 1 40 ASN HA . . 2.730 2.275 2.273 2.282 . 0 0 "[ . 1 . 2]" 1
521 1 40 ASN H 1 41 ASN H . . 3.070 2.951 2.583 3.119 0.049 17 0 "[ . 1 . 2]" 1
522 1 40 ASN H 1 41 ASN QB . . 5.010 4.587 4.315 4.966 . 0 0 "[ . 1 . 2]" 1
523 1 40 ASN HA 1 41 ASN H . . 3.320 2.534 2.364 2.928 . 0 0 "[ . 1 . 2]" 1
524 1 40 ASN HB2 1 40 ASN HD21 . . 3.320 2.901 2.364 3.550 0.230 20 0 "[ . 1 . 2]" 1
525 1 40 ASN HB2 1 41 ASN H . . 5.040 4.446 4.218 4.611 . 0 0 "[ . 1 . 2]" 1
526 1 40 ASN HB3 1 41 ASN H . . 5.140 4.317 4.215 4.551 . 0 0 "[ . 1 . 2]" 1
527 1 41 ASN H 1 41 ASN QB . . 2.840 2.164 2.044 2.759 . 0 0 "[ . 1 . 2]" 1
528 1 41 ASN H 1 41 ASN HD22 . . 5.500 5.127 3.602 5.509 0.009 10 0 "[ . 1 . 2]" 1
529 1 41 ASN H 1 42 LYS H . . 4.560 3.508 2.862 4.501 . 0 0 "[ . 1 . 2]" 1
530 1 41 ASN HA 1 42 LYS QB . . 5.450 4.099 4.009 4.133 . 0 0 "[ . 1 . 2]" 1
531 1 41 ASN HA 1 55 ASP QB . . 5.150 4.206 3.892 4.375 . 0 0 "[ . 1 . 2]" 1
532 1 41 ASN QB 1 42 LYS H . . 3.220 2.081 1.939 2.472 . 0 0 "[ . 1 . 2]" 1
533 1 41 ASN QB 1 42 LYS QB . . 5.500 3.520 3.190 4.131 . 0 0 "[ . 1 . 2]" 1
534 1 41 ASN QB 1 55 ASP HA . . 5.050 4.645 4.193 4.948 . 0 0 "[ . 1 . 2]" 1
535 1 41 ASN QB 1 55 ASP QB . . 4.110 2.188 1.981 2.558 . 0 0 "[ . 1 . 2]" 1
536 1 41 ASN HD21 1 42 LYS H . . 5.270 4.397 4.166 4.627 . 0 0 "[ . 1 . 2]" 1
537 1 41 ASN HD21 1 55 ASP QB . . 4.620 3.273 2.448 4.028 . 0 0 "[ . 1 . 2]" 1
538 1 41 ASN HD22 1 42 LYS H . . 5.500 5.084 3.947 5.657 0.157 12 0 "[ . 1 . 2]" 1
539 1 41 ASN HD22 1 55 ASP QB . . 5.110 3.789 2.800 4.596 . 0 0 "[ . 1 . 2]" 1
540 1 42 LYS H 1 42 LYS QB . . 3.080 2.763 2.296 2.979 . 0 0 "[ . 1 . 2]" 1
541 1 42 LYS H 1 42 LYS HG2 . . 4.700 4.676 4.574 4.786 0.086 19 0 "[ . 1 . 2]" 1
542 1 42 LYS H 1 42 LYS HG3 . . 4.600 4.550 4.227 4.704 0.104 15 0 "[ . 1 . 2]" 1
543 1 42 LYS H 1 43 CYS H . . 4.160 4.170 3.814 4.275 0.115 14 0 "[ . 1 . 2]" 1
544 1 42 LYS H 1 55 ASP QB . . 3.760 2.285 1.891 2.739 . 0 0 "[ . 1 . 2]" 1
545 1 42 LYS HA 1 43 CYS H . . 2.620 2.194 2.141 2.266 . 0 0 "[ . 1 . 2]" 1
546 1 42 LYS QB 1 43 CYS H . . 3.700 3.656 3.497 3.821 0.121 17 0 "[ . 1 . 2]" 1
547 1 42 LYS QB 1 43 CYS HA . . 5.020 4.461 4.233 4.689 . 0 0 "[ . 1 . 2]" 1
548 1 42 LYS QB 1 55 ASP QB . . 4.250 2.346 1.903 3.164 . 0 0 "[ . 1 . 2]" 1
549 1 42 LYS HG2 1 43 CYS H . . 4.090 3.541 3.034 4.098 0.008 19 0 "[ . 1 . 2]" 1
550 1 42 LYS HG3 1 43 CYS H . . 3.680 2.776 2.107 3.702 0.022 19 0 "[ . 1 . 2]" 1
551 1 43 CYS H 1 44 THR H . . 5.230 4.378 4.247 4.446 . 0 0 "[ . 1 . 2]" 1
552 1 43 CYS H 1 44 THR HA . . 5.280 4.864 4.649 5.062 . 0 0 "[ . 1 . 2]" 1
553 1 43 CYS H 1 44 THR MG . . 5.500 4.488 3.820 5.033 . 0 0 "[ . 1 . 2]" 1
554 1 43 CYS H 1 55 ASP QB . . 4.940 4.783 4.585 4.894 . 0 0 "[ . 1 . 2]" 1
555 1 43 CYS HA 1 44 THR H . . 2.860 2.491 2.255 2.716 . 0 0 "[ . 1 . 2]" 1
556 1 43 CYS HA 1 44 THR MG . . 4.870 4.557 3.614 4.870 . 0 0 "[ . 1 . 2]" 1
557 1 43 CYS HA 1 52 VAL QG . . 5.500 4.902 4.062 5.439 . 0 0 "[ . 1 . 2]" 1
558 1 43 CYS HA 1 54 CYS H . . 5.140 4.541 4.056 5.138 . 0 0 "[ . 1 . 2]" 1
559 1 43 CYS HA 1 54 CYS HA . . 3.050 2.705 2.083 3.083 0.033 8 0 "[ . 1 . 2]" 1
560 1 43 CYS HA 1 54 CYS HB3 . . 5.330 5.301 4.672 5.519 0.189 4 0 "[ . 1 . 2]" 1
561 1 43 CYS HA 1 55 ASP H . . 3.970 3.787 3.292 3.975 0.005 10 0 "[ . 1 . 2]" 1
562 1 43 CYS HA 1 55 ASP QB . . 4.990 4.466 3.929 4.721 . 0 0 "[ . 1 . 2]" 1
563 1 43 CYS QB 1 44 THR H . . 3.590 2.482 2.018 3.128 . 0 0 "[ . 1 . 2]" 1
564 1 43 CYS QB 1 44 THR HA . . 5.500 4.049 3.696 4.433 . 0 0 "[ . 1 . 2]" 1
565 1 43 CYS QB 1 45 VAL MG2 . . 5.500 3.945 3.413 4.143 . 0 0 "[ . 1 . 2]" 1
566 1 43 CYS QB 1 52 VAL QG . . 5.280 3.886 2.676 4.725 . 0 0 "[ . 1 . 2]" 1
567 1 44 THR H 1 44 THR HB . . 3.870 3.660 3.400 3.890 0.020 19 0 "[ . 1 . 2]" 1
568 1 44 THR H 1 44 THR MG . . 4.260 3.791 3.188 3.936 . 0 0 "[ . 1 . 2]" 1
569 1 44 THR H 1 45 VAL MG2 . . 5.250 3.567 3.202 4.161 . 0 0 "[ . 1 . 2]" 1
570 1 44 THR H 1 52 VAL QG . . 5.500 3.587 2.632 4.334 . 0 0 "[ . 1 . 2]" 1
571 1 44 THR H 1 53 ASP H . . 3.810 2.985 2.460 3.598 . 0 0 "[ . 1 . 2]" 1
572 1 44 THR H 1 53 ASP QB . . 4.610 3.195 2.440 3.922 . 0 0 "[ . 1 . 2]" 1
573 1 44 THR H 1 54 CYS HA . . 4.650 4.078 3.657 4.647 . 0 0 "[ . 1 . 2]" 1
574 1 44 THR HA 1 44 THR MG . . 3.400 2.069 1.960 2.341 . 0 0 "[ . 1 . 2]" 1
575 1 44 THR HA 1 45 VAL H . . 2.730 2.288 2.143 2.422 . 0 0 "[ . 1 . 2]" 1
576 1 44 THR HA 1 45 VAL HA . . 4.980 4.467 4.396 4.515 . 0 0 "[ . 1 . 2]" 1
577 1 44 THR HA 1 45 VAL MG2 . . 4.530 3.525 3.344 3.945 . 0 0 "[ . 1 . 2]" 1
578 1 44 THR HA 1 53 ASP QB . . 4.900 4.629 4.210 4.825 . 0 0 "[ . 1 . 2]" 1
579 1 44 THR HB 1 45 VAL H . . 3.390 3.009 2.513 3.539 0.149 17 0 "[ . 1 . 2]" 1
580 1 44 THR HB 1 45 VAL HA . . 5.440 4.075 3.934 4.788 . 0 0 "[ . 1 . 2]" 1
581 1 44 THR HB 1 45 VAL MG2 . . 5.490 4.621 4.474 5.354 . 0 0 "[ . 1 . 2]" 1
582 1 44 THR HB 1 53 ASP QB . . 4.290 3.092 2.231 4.202 . 0 0 "[ . 1 . 2]" 1
583 1 44 THR MG 1 45 VAL H . . 4.080 2.919 2.332 3.971 . 0 0 "[ . 1 . 2]" 1
584 1 44 THR MG 1 53 ASP QB . . 5.490 3.967 3.554 4.384 . 0 0 "[ . 1 . 2]" 1
585 1 45 VAL H 1 45 VAL HB . . 3.380 2.810 2.366 2.911 . 0 0 "[ . 1 . 2]" 1
586 1 45 VAL H 1 45 VAL MG2 . . 3.760 3.012 2.561 3.156 . 0 0 "[ . 1 . 2]" 1
587 1 45 VAL HA 1 45 VAL MG1 . . 3.540 2.377 2.314 2.484 . 0 0 "[ . 1 . 2]" 1
588 1 45 VAL HA 1 45 VAL MG2 . . 3.570 2.345 2.223 2.417 . 0 0 "[ . 1 . 2]" 1
589 1 45 VAL HA 1 46 ASP H . . 2.790 2.201 2.140 2.230 . 0 0 "[ . 1 . 2]" 1
590 1 45 VAL HA 1 46 ASP HA . . 5.490 4.403 4.387 4.432 . 0 0 "[ . 1 . 2]" 1
591 1 45 VAL HA 1 46 ASP QB . . 5.500 4.070 3.919 4.656 . 0 0 "[ . 1 . 2]" 1
592 1 45 VAL HA 1 52 VAL HA . . 4.820 2.453 1.923 2.938 . 0 0 "[ . 1 . 2]" 1
593 1 45 VAL HA 1 52 VAL QG . . 3.780 3.125 2.057 3.568 . 0 0 "[ . 1 . 2]" 1
594 1 45 VAL HB 1 52 VAL QG . . 5.500 4.165 3.723 4.747 . 0 0 "[ . 1 . 2]" 1
595 1 45 VAL MG1 1 46 ASP H . . 3.640 2.380 2.054 3.149 . 0 0 "[ . 1 . 2]" 1
596 1 45 VAL MG1 1 46 ASP HA . . 5.330 3.663 3.448 4.090 . 0 0 "[ . 1 . 2]" 1
597 1 45 VAL MG1 1 46 ASP QB . . 5.500 4.083 3.885 4.597 . 0 0 "[ . 1 . 2]" 1
598 1 45 VAL MG1 1 47 THR H . . 4.720 4.300 3.060 4.701 . 0 0 "[ . 1 . 2]" 1
599 1 45 VAL MG1 1 47 THR HA . . 4.330 3.988 3.519 4.285 . 0 0 "[ . 1 . 2]" 1
600 1 45 VAL MG1 1 47 THR MG . . 3.810 3.687 3.097 3.931 0.121 20 0 "[ . 1 . 2]" 1
601 1 45 VAL MG1 1 50 ASN HA . . 4.300 3.263 2.455 3.959 . 0 0 "[ . 1 . 2]" 1
602 1 45 VAL MG1 1 51 ALA H . . 5.280 3.701 3.257 3.974 . 0 0 "[ . 1 . 2]" 1
603 1 45 VAL MG1 1 52 VAL HA . . 4.980 3.465 3.001 3.785 . 0 0 "[ . 1 . 2]" 1
604 1 45 VAL MG1 1 52 VAL HB . . 5.500 4.865 2.663 5.536 0.036 20 0 "[ . 1 . 2]" 1
605 1 45 VAL MG1 1 52 VAL QG . . 4.010 2.601 2.097 3.358 . 0 0 "[ . 1 . 2]" 1
606 1 45 VAL MG2 1 51 ALA H . . 5.500 5.509 5.168 5.626 0.126 17 0 "[ . 1 . 2]" 1
607 1 45 VAL MG2 1 52 VAL HA . . 4.480 2.526 1.973 3.528 . 0 0 "[ . 1 . 2]" 1
608 1 45 VAL MG2 1 52 VAL HB . . 5.500 3.978 1.950 4.818 . 0 0 "[ . 1 . 2]" 1
609 1 45 VAL MG2 1 52 VAL QG . . 3.780 2.009 1.731 2.523 . 0 0 "[ . 1 . 2]" 1
610 1 46 ASP H 1 46 ASP QB . . 3.460 2.449 2.169 2.693 . 0 0 "[ . 1 . 2]" 1
611 1 46 ASP H 1 47 THR H . . 4.930 4.426 3.928 4.599 . 0 0 "[ . 1 . 2]" 1
612 1 46 ASP H 1 50 ASN HA . . 5.250 4.099 3.566 4.783 . 0 0 "[ . 1 . 2]" 1
613 1 46 ASP H 1 51 ALA H . . 3.700 2.874 2.569 3.245 . 0 0 "[ . 1 . 2]" 1
614 1 46 ASP H 1 51 ALA MB . . 4.190 3.164 2.552 4.083 . 0 0 "[ . 1 . 2]" 1
615 1 46 ASP HA 1 47 THR H . . 2.700 2.233 2.140 2.391 . 0 0 "[ . 1 . 2]" 1
616 1 46 ASP HA 1 47 THR HA . . 4.910 4.362 4.333 4.479 . 0 0 "[ . 1 . 2]" 1
617 1 46 ASP HA 1 48 TYR H . . 4.340 3.717 3.264 4.018 . 0 0 "[ . 1 . 2]" 1
618 1 46 ASP HA 1 48 TYR HB3 . . 5.500 5.262 4.636 5.524 0.024 14 0 "[ . 1 . 2]" 1
619 1 46 ASP HA 1 51 ALA H . . 5.500 4.697 4.216 5.175 . 0 0 "[ . 1 . 2]" 1
620 1 46 ASP QB 1 47 THR H . . 4.460 3.308 2.525 3.967 . 0 0 "[ . 1 . 2]" 1
621 1 46 ASP QB 1 48 TYR H . . 4.630 2.890 2.219 3.775 . 0 0 "[ . 1 . 2]" 1
622 1 46 ASP QB 1 49 ASN H . . 4.700 3.312 3.012 3.937 . 0 0 "[ . 1 . 2]" 1
623 1 46 ASP QB 1 50 ASN HA . . 5.460 4.622 4.206 5.084 . 0 0 "[ . 1 . 2]" 1
624 1 46 ASP QB 1 51 ALA H . . 3.460 2.718 2.132 3.315 . 0 0 "[ . 1 . 2]" 1
625 1 46 ASP QB 1 51 ALA MB . . 3.430 2.196 1.735 2.822 . 0 0 "[ . 1 . 2]" 1
626 1 47 THR H 1 47 THR MG . . 3.320 2.658 1.895 3.331 0.011 19 0 "[ . 1 . 2]" 1
627 1 47 THR H 1 48 TYR H . . 3.540 2.398 2.019 2.658 . 0 0 "[ . 1 . 2]" 1
628 1 47 THR H 1 49 ASN H . . 5.180 4.784 4.401 5.034 . 0 0 "[ . 1 . 2]" 1
629 1 47 THR H 1 50 ASN H . . 5.310 4.999 4.764 5.128 . 0 0 "[ . 1 . 2]" 1
630 1 47 THR HA 1 47 THR MG . . 3.300 2.347 2.150 3.189 . 0 0 "[ . 1 . 2]" 1
631 1 47 THR HA 1 48 TYR HA . . 4.970 4.897 4.894 4.923 . 0 0 "[ . 1 . 2]" 1
632 1 47 THR HA 1 49 ASN H . . 4.440 4.281 3.912 4.438 . 0 0 "[ . 1 . 2]" 1
633 1 48 TYR H 1 48 TYR HB2 . . 3.230 2.558 2.356 2.689 . 0 0 "[ . 1 . 2]" 1
634 1 48 TYR H 1 48 TYR HB3 . . 3.180 2.514 2.385 2.725 . 0 0 "[ . 1 . 2]" 1
635 1 48 TYR H 1 48 TYR QD . . 4.780 4.187 4.163 4.199 . 0 0 "[ . 1 . 2]" 1
636 1 48 TYR H 1 49 ASN H . . 3.090 2.931 2.818 2.986 . 0 0 "[ . 1 . 2]" 1
637 1 48 TYR H 1 50 ASN H . . 4.060 4.037 4.016 4.093 0.033 20 0 "[ . 1 . 2]" 1
638 1 48 TYR HA 1 48 TYR QD . . 3.480 2.662 2.249 3.147 . 0 0 "[ . 1 . 2]" 1
639 1 48 TYR HA 1 48 TYR QE . . 4.520 4.636 4.562 4.707 0.187 18 0 "[ . 1 . 2]" 1
640 1 48 TYR HB2 1 49 ASN H . . 3.930 3.781 3.581 3.933 0.003 20 0 "[ . 1 . 2]" 1
641 1 48 TYR HB3 1 49 ASN H . . 3.430 2.387 2.189 2.637 . 0 0 "[ . 1 . 2]" 1
642 1 48 TYR QD 1 49 ASN H . . 4.970 3.309 2.969 3.753 . 0 0 "[ . 1 . 2]" 1
643 1 48 TYR QD 1 49 ASN HA . . 4.780 4.368 3.740 4.719 . 0 0 "[ . 1 . 2]" 1
644 1 48 TYR QD 1 49 ASN HB3 . . 4.390 3.254 1.998 4.356 . 0 0 "[ . 1 . 2]" 1
645 1 48 TYR QE 1 49 ASN HA . . 5.500 5.558 5.540 5.578 0.078 17 0 "[ . 1 . 2]" 1
646 1 48 TYR QE 1 49 ASN HB2 . . 4.970 4.315 3.472 5.099 0.129 4 0 "[ . 1 . 2]" 1
647 1 48 TYR QE 1 49 ASN HB3 . . 5.500 4.005 3.349 5.204 . 0 0 "[ . 1 . 2]" 1
648 1 49 ASN H 1 49 ASN HB2 . . 3.730 3.554 2.752 3.963 0.233 6 0 "[ . 1 . 2]" 1
649 1 49 ASN H 1 49 ASN HB3 . . 3.960 3.294 2.994 3.803 . 0 0 "[ . 1 . 2]" 1
650 1 49 ASN H 1 50 ASN H . . 2.970 2.338 2.288 2.375 . 0 0 "[ . 1 . 2]" 1
651 1 49 ASN H 1 50 ASN HA . . 4.100 4.183 4.121 4.206 0.106 17 0 "[ . 1 . 2]" 1
652 1 49 ASN H 1 51 ALA MB . . 5.130 3.565 3.381 3.681 . 0 0 "[ . 1 . 2]" 1
653 1 49 ASN HB2 1 49 ASN HD22 . . 4.010 3.760 3.437 4.096 0.086 6 0 "[ . 1 . 2]" 1
654 1 49 ASN HB3 1 50 ASN H . . 5.000 4.444 4.178 4.646 . 0 0 "[ . 1 . 2]" 1
655 1 49 ASN HB3 1 51 ALA H . . 5.500 5.224 4.181 5.985 0.485 17 0 "[ . 1 . 2]" 1
656 1 49 ASN HB3 1 51 ALA MB . . 5.080 4.482 3.484 5.383 0.303 18 0 "[ . 1 . 2]" 1
657 1 49 ASN HD21 1 51 ALA MB . . 4.830 4.580 3.052 5.110 0.280 18 0 "[ . 1 . 2]" 1
658 1 50 ASN H 1 50 ASN HA . . 2.620 2.280 2.274 2.285 . 0 0 "[ . 1 . 2]" 1
659 1 50 ASN H 1 50 ASN HB2 . . 3.920 3.026 2.913 3.293 . 0 0 "[ . 1 . 2]" 1
660 1 50 ASN H 1 50 ASN HD21 . . 5.500 4.125 3.483 5.010 . 0 0 "[ . 1 . 2]" 1
661 1 50 ASN HA 1 50 ASN HD22 . . 5.500 3.456 3.290 3.864 . 0 0 "[ . 1 . 2]" 1
662 1 50 ASN HA 1 52 VAL QG . . 5.360 4.122 3.645 5.082 . 0 0 "[ . 1 . 2]" 1
663 1 50 ASN HB3 1 52 VAL QG . . 5.260 4.258 3.109 5.186 . 0 0 "[ . 1 . 2]" 1
664 1 51 ALA H 1 51 ALA MB . . 3.140 2.233 2.072 2.552 . 0 0 "[ . 1 . 2]" 1
665 1 51 ALA H 1 52 VAL H . . 4.750 4.176 3.606 4.601 . 0 0 "[ . 1 . 2]" 1
666 1 51 ALA H 1 52 VAL QG . . 5.500 4.330 3.965 4.815 . 0 0 "[ . 1 . 2]" 1
667 1 51 ALA HA 1 52 VAL H . . 2.640 2.236 2.143 2.349 . 0 0 "[ . 1 . 2]" 1
668 1 51 ALA HA 1 52 VAL HB . . 4.830 4.783 4.610 4.916 0.086 17 0 "[ . 1 . 2]" 1
669 1 51 ALA MB 1 52 VAL H . . 3.760 3.403 2.620 3.652 . 0 0 "[ . 1 . 2]" 1
670 1 52 VAL H 1 52 VAL HB . . 3.360 2.661 2.483 2.936 . 0 0 "[ . 1 . 2]" 1
671 1 52 VAL H 1 52 VAL QG . . 3.650 2.363 1.911 2.856 . 0 0 "[ . 1 . 2]" 1
672 1 52 VAL HA 1 53 ASP H . . 2.660 2.198 2.142 2.279 . 0 0 "[ . 1 . 2]" 1
673 1 52 VAL QG 1 53 ASP H . . 3.700 2.468 1.993 3.244 . 0 0 "[ . 1 . 2]" 1
674 1 52 VAL QG 1 54 CYS H . . 5.340 4.714 3.082 5.224 . 0 0 "[ . 1 . 2]" 1
675 1 53 ASP H 1 53 ASP QB . . 2.990 2.440 2.100 2.707 . 0 0 "[ . 1 . 2]" 1
676 1 53 ASP HA 1 54 CYS H . . 2.670 2.493 2.143 2.697 0.027 15 0 "[ . 1 . 2]" 1
677 1 53 ASP HA 1 54 CYS HB3 . . 5.500 4.757 4.113 5.498 . 0 0 "[ . 1 . 2]" 1
678 1 53 ASP QB 1 54 CYS H . . 4.560 2.514 1.925 3.935 . 0 0 "[ . 1 . 2]" 1
679 1 54 CYS H 1 54 CYS HB2 . . 3.500 3.268 2.139 3.983 0.483 5 0 "[ . 1 . 2]" 1
680 1 54 CYS H 1 54 CYS HB3 . . 3.960 3.250 2.685 3.884 . 0 0 "[ . 1 . 2]" 1
681 1 54 CYS HA 1 55 ASP H . . 2.930 2.390 2.191 2.576 . 0 0 "[ . 1 . 2]" 1
682 1 54 CYS HB3 1 55 ASP H . . 3.660 3.370 2.626 4.088 0.428 1 0 "[ . 1 . 2]" 1
683 1 55 ASP H 1 55 ASP QB . . 3.240 2.241 2.089 2.709 . 0 0 "[ . 1 . 2]" 1
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