NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
492598 |
2k9o   |
15992 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9o
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 385
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 5.737
_Distance_constraint_stats_list.Viol_max 0.073
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0287
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ILE 0.038 0.038 14 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 CYS 0.165 0.073 16 0 "[ . 1 . 2]"
1 13 PRO 0.165 0.073 16 0 "[ . 1 . 2]"
1 14 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 CYS 0.017 0.012 19 0 "[ . 1 . 2]"
1 22 LYS 0.017 0.012 19 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 MET 0.005 0.005 16 0 "[ . 1 . 2]"
1 28 ASN 0.005 0.005 16 0 "[ . 1 . 2]"
1 29 ARG 0.063 0.063 2 0 "[ . 1 . 2]"
1 30 LYS 0.063 0.063 2 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 0.000 0.000 . 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 2 ALA H 1 4 ILE H 4.780 . 5.280 4.911 4.771 5.066 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA HA 1 3 ALA H 3.430 . 3.930 2.716 2.146 3.482 . 0 0 "[ . 1 . 2]" 1
3 1 2 ALA MB 1 3 ALA H 4.420 . 4.920 2.807 1.872 3.667 . 0 0 "[ . 1 . 2]" 1
4 1 2 ALA MB 1 4 ILE MD 7.930 . 8.430 4.727 2.113 5.551 . 0 0 "[ . 1 . 2]" 1
5 1 3 ALA HA 1 4 ILE H 3.150 . 3.650 2.575 2.031 3.339 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 4 ILE MG 6.610 . 7.110 4.313 3.536 5.001 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA HA 1 31 CYS H 5.500 . 6.000 4.084 2.332 5.651 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA MB 1 4 ILE H 4.900 . 5.400 3.491 3.150 3.735 . 0 0 "[ . 1 . 2]" 1
9 1 3 ALA MB 1 4 ILE MD 7.930 . 8.430 5.545 4.560 5.751 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA MB 1 4 ILE MG 6.200 . 6.700 3.978 3.079 4.469 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA MB 1 31 CYS H 6.610 . 7.110 4.825 3.159 5.670 . 0 0 "[ . 1 . 2]" 1
12 1 4 ILE H 1 4 ILE HB 3.870 . 4.370 3.701 3.478 3.943 . 0 0 "[ . 1 . 2]" 1
13 1 4 ILE H 1 4 ILE HG12 4.530 . 5.030 2.458 1.803 3.596 . 0 0 "[ . 1 . 2]" 1
14 1 4 ILE H 1 4 ILE HG13 3.350 . 3.850 2.569 1.762 3.282 0.038 14 0 "[ . 1 . 2]" 1
15 1 4 ILE H 1 5 SER H 4.450 . 4.950 4.508 4.387 4.580 . 0 0 "[ . 1 . 2]" 1
16 1 4 ILE H 1 6 CYS H 5.500 . 6.000 5.645 5.466 5.743 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 30 LYS QB 5.140 . 5.640 4.322 3.544 4.614 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 31 CYS H 4.400 . 4.900 3.155 2.652 3.605 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE HA 1 4 ILE HG12 3.870 . 4.370 3.889 3.699 4.140 . 0 0 "[ . 1 . 2]" 1
20 1 4 ILE HA 1 5 SER H 2.810 . 3.310 2.309 2.207 2.478 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE HB 1 5 SER H 3.740 . 4.240 2.479 2.273 2.703 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE HB 1 6 CYS H 5.500 . 6.000 5.323 4.716 5.587 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HB 1 15 LYS QD 4.400 . 4.900 2.543 2.131 3.249 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE HB 1 15 LYS QZ 6.160 . 6.660 3.910 3.370 5.205 . 0 0 "[ . 1 . 2]" 1
25 1 4 ILE HB 1 31 CYS QB 5.140 . 5.640 4.400 3.728 4.661 . 0 0 "[ . 1 . 2]" 1
26 1 4 ILE MD 1 5 SER H 6.610 . 7.110 4.048 3.258 4.829 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 9 SER H 6.610 . 7.110 5.675 5.587 5.785 . 0 0 "[ . 1 . 2]" 1
28 1 4 ILE MD 1 15 LYS QB 5.770 . 6.270 2.149 2.007 2.420 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE MD 1 15 LYS HD2 5.560 . 6.060 2.205 2.062 2.620 . 0 0 "[ . 1 . 2]" 1
30 1 4 ILE MD 1 15 LYS QD 5.310 . 5.810 2.077 1.885 2.181 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MD 1 15 LYS HD3 5.560 . 6.060 3.248 2.028 3.757 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MD 1 15 LYS QE 6.080 . 6.580 3.544 3.381 3.834 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE MD 1 16 CYS HA 5.560 . 6.060 3.239 2.217 4.626 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE MD 1 31 CYS H 6.610 . 7.110 4.335 3.316 4.824 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MD 1 31 CYS HB2 5.130 . 5.630 3.003 2.398 3.842 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MD 1 31 CYS QB 4.950 . 5.450 2.407 2.083 2.897 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE MD 1 31 CYS HB3 5.130 . 5.630 2.582 2.228 3.015 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HG12 1 5 SER H 5.500 . 6.000 4.905 4.632 5.108 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE HG12 1 15 LYS QB 6.170 . 6.670 4.408 2.693 5.310 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE HG13 1 30 LYS HA 4.970 . 5.470 4.470 3.781 5.132 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE HG13 1 31 CYS H 3.840 . 4.340 3.451 2.857 3.867 . 0 0 "[ . 1 . 2]" 1
42 1 4 ILE HG13 1 31 CYS HB2 3.340 . 3.840 3.044 2.653 3.389 . 0 0 "[ . 1 . 2]" 1
43 1 4 ILE HG13 1 31 CYS HB3 3.340 . 3.840 2.288 1.968 3.011 . 0 0 "[ . 1 . 2]" 1
44 1 4 ILE MG 1 5 SER H 4.600 . 5.100 3.564 3.278 3.661 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE MG 1 5 SER QB 7.410 . 7.910 5.169 4.792 5.510 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE MG 1 15 LYS HA 6.340 . 6.840 4.880 4.165 5.393 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE MG 1 15 LYS QB 5.280 . 5.780 3.661 2.805 3.956 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE MG 1 15 LYS HD2 5.440 . 5.940 3.709 3.073 4.609 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MG 1 15 LYS QD 5.260 . 5.760 3.375 2.982 3.748 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE MG 1 15 LYS HD3 5.440 . 5.940 4.162 3.639 4.546 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE MG 1 16 CYS HA 6.610 . 7.110 3.302 2.280 4.645 . 0 0 "[ . 1 . 2]" 1
52 1 4 ILE MG 1 31 CYS H 6.360 . 6.860 5.240 4.916 5.376 . 0 0 "[ . 1 . 2]" 1
53 1 4 ILE MG 1 31 CYS HB2 6.610 . 7.110 5.427 4.992 5.578 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE MG 1 31 CYS QB 6.350 . 6.850 4.251 4.099 4.546 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE MG 1 31 CYS HB3 6.610 . 7.110 4.450 4.232 5.004 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER H 1 5 SER QB 3.490 . 3.990 2.468 2.296 2.766 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER H 1 6 CYS H 5.230 . 5.730 4.395 4.181 4.493 . 0 0 "[ . 1 . 2]" 1
58 1 5 SER QB 1 6 CYS H 4.220 . 4.720 3.481 3.077 3.740 . 0 0 "[ . 1 . 2]" 1
59 1 5 SER QB 1 6 CYS QB 5.930 . 6.430 4.682 4.184 4.881 . 0 0 "[ . 1 . 2]" 1
60 1 6 CYS H 1 7 VAL CB 5.500 . 6.000 5.312 4.854 5.539 . 0 0 "[ . 1 . 2]" 1
61 1 6 CYS H 1 7 VAL H 3.920 . 4.420 2.805 2.446 3.014 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS H 1 29 ARG HA 4.320 . 4.820 3.711 3.085 4.170 . 0 0 "[ . 1 . 2]" 1
63 1 6 CYS H 1 29 ARG HB2 5.450 . 5.950 4.222 3.175 5.013 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS H 1 29 ARG QB 5.160 . 5.660 3.805 3.134 4.155 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS H 1 29 ARG HB3 5.450 . 5.950 4.853 3.847 5.625 . 0 0 "[ . 1 . 2]" 1
66 1 6 CYS H 1 29 ARG QD 6.170 . 6.670 5.214 4.349 5.611 . 0 0 "[ . 1 . 2]" 1
67 1 6 CYS H 1 29 ARG QG 5.990 . 6.490 5.035 4.051 5.672 . 0 0 "[ . 1 . 2]" 1
68 1 6 CYS H 1 30 LYS HA 4.490 . 4.990 2.943 2.334 3.421 . 0 0 "[ . 1 . 2]" 1
69 1 6 CYS H 1 31 CYS H 5.500 . 6.000 4.455 3.515 5.504 . 0 0 "[ . 1 . 2]" 1
70 1 6 CYS QB 1 7 VAL H 3.680 . 4.180 2.749 2.371 3.113 . 0 0 "[ . 1 . 2]" 1
71 1 6 CYS QB 1 7 VAL HA 5.930 . 6.430 4.311 3.860 4.844 . 0 0 "[ . 1 . 2]" 1
72 1 6 CYS QB 1 8 GLY H 5.530 . 6.030 4.848 4.542 5.014 . 0 0 "[ . 1 . 2]" 1
73 1 6 CYS QB 1 30 LYS QB 6.110 . 6.610 4.588 4.319 4.856 . 0 0 "[ . 1 . 2]" 1
74 1 6 CYS QB 1 31 CYS H 5.830 . 6.330 4.120 3.377 4.779 . 0 0 "[ . 1 . 2]" 1
75 1 7 VAL CB 1 8 GLY H 4.400 . 4.900 3.228 2.815 3.618 . 0 0 "[ . 1 . 2]" 1
76 1 7 VAL CB 1 8 GLY HA3 5.020 . 5.520 5.250 5.110 5.386 . 0 0 "[ . 1 . 2]" 1
77 1 7 VAL CB 1 29 ARG QD 6.170 . 6.670 5.235 4.212 5.598 . 0 0 "[ . 1 . 2]" 1
78 1 7 VAL H 1 7 VAL HB 3.770 . 4.270 3.162 2.148 3.722 . 0 0 "[ . 1 . 2]" 1
79 1 7 VAL H 1 8 GLY H 3.430 . 3.930 2.777 2.518 3.056 . 0 0 "[ . 1 . 2]" 1
80 1 7 VAL HB 1 8 GLY H 4.320 . 4.820 3.563 2.240 4.192 . 0 0 "[ . 1 . 2]" 1
81 1 8 GLY HA2 1 10 PRO HD2 5.220 . 5.720 5.022 4.683 5.167 . 0 0 "[ . 1 . 2]" 1
82 1 8 GLY HA3 1 9 SER HA 4.610 . 5.110 4.445 4.324 4.578 . 0 0 "[ . 1 . 2]" 1
83 1 8 GLY HA3 1 9 SER QB 4.490 . 4.990 4.082 4.010 4.124 . 0 0 "[ . 1 . 2]" 1
84 1 8 GLY HA3 1 10 PRO HD2 3.500 . 4.000 3.641 3.571 3.691 . 0 0 "[ . 1 . 2]" 1
85 1 9 SER H 1 9 SER QB 3.570 . 4.070 2.690 2.383 2.923 . 0 0 "[ . 1 . 2]" 1
86 1 9 SER H 1 10 PRO HG2 3.640 . 4.140 3.717 3.656 3.840 . 0 0 "[ . 1 . 2]" 1
87 1 9 SER H 1 15 LYS QB 5.680 . 6.180 4.691 3.794 5.048 . 0 0 "[ . 1 . 2]" 1
88 1 9 SER H 1 15 LYS QD 4.800 . 5.300 4.118 3.842 4.298 . 0 0 "[ . 1 . 2]" 1
89 1 9 SER H 1 15 LYS QE 4.670 . 5.170 2.263 2.058 2.403 . 0 0 "[ . 1 . 2]" 1
90 1 9 SER H 1 15 LYS QG 5.590 . 6.090 4.967 4.779 5.050 . 0 0 "[ . 1 . 2]" 1
91 1 9 SER H 1 15 LYS QZ 4.340 . 4.840 2.859 2.293 3.326 . 0 0 "[ . 1 . 2]" 1
92 1 9 SER QB 1 10 PRO HG2 4.980 . 5.480 4.397 4.272 4.482 . 0 0 "[ . 1 . 2]" 1
93 1 9 SER QB 1 15 LYS QB 6.930 . 7.430 5.268 4.068 5.569 . 0 0 "[ . 1 . 2]" 1
94 1 9 SER QB 1 15 LYS QZ 7.410 . 7.910 4.674 4.354 4.949 . 0 0 "[ . 1 . 2]" 1
95 1 10 PRO HB2 1 12 CYS H 3.940 . 4.440 3.822 3.470 4.013 . 0 0 "[ . 1 . 2]" 1
96 1 10 PRO HB2 1 15 LYS QE 4.640 . 5.140 4.110 3.479 4.198 . 0 0 "[ . 1 . 2]" 1
97 1 10 PRO HB3 1 11 GLU H 4.060 . 4.560 3.682 3.518 3.816 . 0 0 "[ . 1 . 2]" 1
98 1 10 PRO HB3 1 15 LYS QE 5.610 . 6.110 4.581 4.340 4.664 . 0 0 "[ . 1 . 2]" 1
99 1 10 PRO HD2 1 11 GLU H 5.460 . 5.960 5.390 5.239 5.482 . 0 0 "[ . 1 . 2]" 1
100 1 10 PRO HD2 1 15 LYS QE 4.410 . 4.910 2.023 1.930 2.158 . 0 0 "[ . 1 . 2]" 1
101 1 10 PRO HD3 1 15 LYS QE 4.280 . 4.780 3.468 3.323 3.691 . 0 0 "[ . 1 . 2]" 1
102 1 10 PRO HG2 1 15 LYS H 5.500 . 6.000 3.936 3.114 4.208 . 0 0 "[ . 1 . 2]" 1
103 1 10 PRO HG2 1 15 LYS QB 3.450 . 3.950 2.268 2.117 2.695 . 0 0 "[ . 1 . 2]" 1
104 1 10 PRO HG2 1 15 LYS QE 3.810 . 4.310 1.927 1.888 1.978 . 0 0 "[ . 1 . 2]" 1
105 1 10 PRO HG2 1 15 LYS QG 4.730 . 5.230 3.358 2.322 3.995 . 0 0 "[ . 1 . 2]" 1
106 1 10 PRO HG3 1 15 LYS HA 4.180 . 4.680 4.189 3.669 4.283 . 0 0 "[ . 1 . 2]" 1
107 1 10 PRO HG3 1 15 LYS QE 4.420 . 4.920 3.071 2.761 3.465 . 0 0 "[ . 1 . 2]" 1
108 1 11 GLU H 1 11 GLU HB2 3.640 . 4.140 2.529 2.297 2.827 . 0 0 "[ . 1 . 2]" 1
109 1 11 GLU H 1 11 GLU QB 3.570 . 4.070 2.456 2.110 2.743 . 0 0 "[ . 1 . 2]" 1
110 1 11 GLU H 1 11 GLU HB3 3.640 . 4.140 3.516 2.353 3.698 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLU H 1 11 GLU HG2 4.230 . 4.730 3.723 2.239 4.281 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLU H 1 11 GLU QG 3.950 . 4.450 2.842 2.187 3.805 . 0 0 "[ . 1 . 2]" 1
113 1 11 GLU H 1 11 GLU HG3 4.230 . 4.730 3.064 2.235 4.296 . 0 0 "[ . 1 . 2]" 1
114 1 11 GLU H 1 12 CYS H 3.820 . 4.320 3.079 2.801 3.353 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLU H 1 15 LYS QE 6.060 . 6.560 5.107 3.721 5.436 . 0 0 "[ . 1 . 2]" 1
116 1 11 GLU HA 1 11 GLU QG 3.380 . 3.880 2.433 2.228 3.038 . 0 0 "[ . 1 . 2]" 1
117 1 11 GLU QB 1 12 CYS H 3.980 . 4.480 2.171 1.921 2.490 . 0 0 "[ . 1 . 2]" 1
118 1 11 GLU QB 1 12 CYS QB 6.530 . 7.030 3.219 2.856 3.828 . 0 0 "[ . 1 . 2]" 1
119 1 11 GLU QB 1 13 PRO QD 4.040 . 4.540 3.068 2.713 3.287 . 0 0 "[ . 1 . 2]" 1
120 1 11 GLU HB2 1 12 CYS H 4.320 . 4.820 2.384 1.963 3.862 . 0 0 "[ . 1 . 2]" 1
121 1 11 GLU HB3 1 12 CYS H 4.320 . 4.820 2.968 2.026 3.384 . 0 0 "[ . 1 . 2]" 1
122 1 12 CYS H 1 12 CYS HB2 3.840 . 4.340 3.177 2.573 3.591 . 0 0 "[ . 1 . 2]" 1
123 1 12 CYS H 1 12 CYS HB3 3.840 . 4.340 3.157 2.578 3.920 . 0 0 "[ . 1 . 2]" 1
124 1 12 CYS H 1 13 PRO HD2 3.610 . 4.110 1.960 1.743 2.175 0.057 16 0 "[ . 1 . 2]" 1
125 1 12 CYS H 1 13 PRO QD 3.340 . 3.840 1.943 1.727 2.152 0.073 16 0 "[ . 1 . 2]" 1
126 1 12 CYS H 1 13 PRO HD3 3.610 . 4.110 3.222 2.778 3.449 . 0 0 "[ . 1 . 2]" 1
127 1 12 CYS H 1 13 PRO QG 4.660 . 5.160 3.815 3.563 4.030 . 0 0 "[ . 1 . 2]" 1
128 1 12 CYS H 1 14 PRO HD2 5.090 . 5.590 2.733 2.250 3.084 . 0 0 "[ . 1 . 2]" 1
129 1 12 CYS H 1 14 PRO HD3 5.360 . 5.860 4.018 3.330 4.364 . 0 0 "[ . 1 . 2]" 1
130 1 12 CYS QB 1 13 PRO QB 6.730 . 7.230 4.532 4.057 4.929 . 0 0 "[ . 1 . 2]" 1
131 1 12 CYS QB 1 13 PRO QD 3.620 . 4.120 2.015 1.911 2.181 . 0 0 "[ . 1 . 2]" 1
132 1 12 CYS QB 1 24 GLY H 5.800 . 6.300 4.518 3.790 5.176 . 0 0 "[ . 1 . 2]" 1
133 1 12 CYS QB 1 24 GLY HA3 4.520 . 5.020 3.277 2.073 3.755 . 0 0 "[ . 1 . 2]" 1
134 1 12 CYS QB 1 25 LYS H 5.080 . 5.580 3.912 3.427 4.524 . 0 0 "[ . 1 . 2]" 1
135 1 12 CYS HB2 1 13 PRO HD2 4.170 . 4.670 3.692 2.458 4.222 . 0 0 "[ . 1 . 2]" 1
136 1 12 CYS HB2 1 13 PRO HD3 4.170 . 4.670 3.281 1.948 3.989 . 0 0 "[ . 1 . 2]" 1
137 1 12 CYS HB2 1 24 GLY HA3 4.870 . 5.370 4.391 3.073 5.046 . 0 0 "[ . 1 . 2]" 1
138 1 12 CYS HB3 1 13 PRO HD2 4.170 . 4.670 3.076 2.492 4.255 . 0 0 "[ . 1 . 2]" 1
139 1 12 CYS HB3 1 13 PRO HD3 4.170 . 4.670 2.365 2.034 3.329 . 0 0 "[ . 1 . 2]" 1
140 1 12 CYS HB3 1 24 GLY HA3 4.870 . 5.370 3.418 2.108 3.891 . 0 0 "[ . 1 . 2]" 1
141 1 13 PRO QB 1 16 CYS QB 6.150 . 6.650 4.423 3.929 4.909 . 0 0 "[ . 1 . 2]" 1
142 1 13 PRO QB 1 24 GLY H 4.920 . 5.420 3.627 2.741 4.402 . 0 0 "[ . 1 . 2]" 1
143 1 13 PRO QD 1 14 PRO HD2 3.570 . 4.070 2.649 2.459 2.739 . 0 0 "[ . 1 . 2]" 1
144 1 13 PRO QD 1 14 PRO HD3 4.190 . 4.690 3.129 2.781 3.424 . 0 0 "[ . 1 . 2]" 1
145 1 13 PRO QD 1 24 GLY H 6.010 . 6.510 3.335 2.729 3.888 . 0 0 "[ . 1 . 2]" 1
146 1 13 PRO HD2 1 14 PRO HD2 3.840 . 4.340 2.690 2.487 2.790 . 0 0 "[ . 1 . 2]" 1
147 1 13 PRO HD3 1 14 PRO HD2 3.840 . 4.340 3.970 3.875 4.007 . 0 0 "[ . 1 . 2]" 1
148 1 13 PRO QG 1 14 PRO HD2 4.060 . 4.560 3.159 2.798 3.677 . 0 0 "[ . 1 . 2]" 1
149 1 13 PRO QG 1 14 PRO HD3 3.560 . 4.060 2.347 2.118 3.102 . 0 0 "[ . 1 . 2]" 1
150 1 13 PRO QG 1 24 GLY HA3 4.800 . 5.300 4.115 3.415 4.324 . 0 0 "[ . 1 . 2]" 1
151 1 14 PRO HA 1 16 CYS QB 5.990 . 6.490 4.977 4.480 5.391 . 0 0 "[ . 1 . 2]" 1
152 1 14 PRO HD2 1 15 LYS QZ 5.690 . 6.190 4.837 4.795 4.920 . 0 0 "[ . 1 . 2]" 1
153 1 14 PRO QG 1 15 LYS QZ 6.520 . 7.020 4.644 4.460 4.914 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS H 1 15 LYS QE 6.170 . 6.670 4.540 3.665 4.905 . 0 0 "[ . 1 . 2]" 1
155 1 15 LYS H 1 15 LYS HG2 5.500 . 6.000 4.024 1.928 4.634 . 0 0 "[ . 1 . 2]" 1
156 1 15 LYS H 1 15 LYS HG3 5.500 . 6.000 4.079 2.610 4.646 . 0 0 "[ . 1 . 2]" 1
157 1 15 LYS QB 1 31 CYS QB 6.730 . 7.230 4.936 4.319 5.287 . 0 0 "[ . 1 . 2]" 1
158 1 17 ARG H 1 17 ARG QB 3.580 . 4.080 3.209 2.890 3.324 . 0 0 "[ . 1 . 2]" 1
159 1 17 ARG H 1 17 ARG HE 5.500 . 6.000 5.356 4.694 5.643 . 0 0 "[ . 1 . 2]" 1
160 1 17 ARG H 1 17 ARG QG 3.680 . 4.180 2.708 2.567 3.017 . 0 0 "[ . 1 . 2]" 1
161 1 17 ARG H 1 18 ALA H 4.440 . 4.940 4.368 4.297 4.451 . 0 0 "[ . 1 . 2]" 1
162 1 17 ARG H 1 18 ALA MB 6.610 . 7.110 5.489 5.404 5.554 . 0 0 "[ . 1 . 2]" 1
163 1 17 ARG H 1 19 GLN H 5.500 . 6.000 5.111 4.488 5.503 . 0 0 "[ . 1 . 2]" 1
164 1 17 ARG H 1 20 GLY H 5.500 . 6.000 3.646 2.832 4.579 . 0 0 "[ . 1 . 2]" 1
165 1 17 ARG H 1 20 GLY HA2 4.200 . 4.700 3.053 1.959 4.138 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG H 1 21 CYS H 5.500 . 6.000 4.314 3.669 5.047 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG H 1 21 CYS QB 5.990 . 6.490 4.548 3.442 5.408 . 0 0 "[ . 1 . 2]" 1
168 1 17 ARG HA 1 17 ARG HE 5.430 . 5.930 4.806 4.308 5.546 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG HA 1 19 GLN H 5.500 . 6.000 4.704 4.272 5.099 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG QB 1 17 ARG HE 4.480 . 4.980 2.551 1.944 3.978 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG QB 1 18 ALA H 4.050 . 4.550 2.297 2.129 2.411 . 0 0 "[ . 1 . 2]" 1
172 1 17 ARG QB 1 18 ALA MB 4.930 . 5.430 3.687 3.562 3.740 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG QB 1 20 GLY H 5.980 . 6.480 3.744 2.069 4.291 . 0 0 "[ . 1 . 2]" 1
174 1 17 ARG QB 1 21 CYS H 6.170 . 6.670 5.297 4.424 5.614 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG QD 1 18 ALA H 5.420 . 5.920 4.473 3.886 4.898 . 0 0 "[ . 1 . 2]" 1
176 1 17 ARG QD 1 20 GLY H 4.950 . 5.450 3.921 3.014 4.383 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG QD 1 20 GLY HA2 4.560 . 5.060 4.142 4.078 4.239 . 0 0 "[ . 1 . 2]" 1
178 1 17 ARG QD 1 21 CYS H 5.990 . 6.490 4.351 3.535 5.313 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG HD2 1 18 ALA H 5.500 . 6.000 5.464 5.226 5.625 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG HD3 1 18 ALA H 5.500 . 6.000 4.821 3.989 5.587 . 0 0 "[ . 1 . 2]" 1
181 1 17 ARG QG 1 18 ALA H 5.150 . 5.650 3.521 3.194 4.215 . 0 0 "[ . 1 . 2]" 1
182 1 17 ARG QG 1 19 GLN H 5.050 . 5.550 3.019 2.134 4.639 . 0 0 "[ . 1 . 2]" 1
183 1 17 ARG QG 1 20 GLY H 5.410 . 5.910 2.498 1.946 3.934 . 0 0 "[ . 1 . 2]" 1
184 1 17 ARG QG 1 20 GLY HA2 3.400 . 3.900 2.775 2.547 3.113 . 0 0 "[ . 1 . 2]" 1
185 1 18 ALA H 1 19 GLN H 3.300 . 3.800 2.950 2.655 3.401 . 0 0 "[ . 1 . 2]" 1
186 1 18 ALA H 1 20 GLY H 5.280 . 5.780 4.090 3.782 4.575 . 0 0 "[ . 1 . 2]" 1
187 1 18 ALA HA 1 19 GLN H 3.570 . 4.070 3.552 3.472 3.624 . 0 0 "[ . 1 . 2]" 1
188 1 18 ALA MB 1 19 GLN H 4.680 . 5.180 2.548 2.241 2.864 . 0 0 "[ . 1 . 2]" 1
189 1 18 ALA MB 1 19 GLN QE 7.090 . 7.590 3.625 2.586 5.113 . 0 0 "[ . 1 . 2]" 1
190 1 18 ALA MB 1 19 GLN QG 6.620 . 7.120 4.178 2.815 4.578 . 0 0 "[ . 1 . 2]" 1
191 1 18 ALA MB 1 20 GLY H 6.000 . 6.500 4.300 4.087 4.487 . 0 0 "[ . 1 . 2]" 1
192 1 19 GLN H 1 19 GLN HG2 3.830 . 4.330 2.756 2.110 3.792 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLN H 1 19 GLN QG 3.750 . 4.250 2.624 2.088 2.856 . 0 0 "[ . 1 . 2]" 1
194 1 19 GLN H 1 19 GLN HG3 3.830 . 4.330 3.622 2.447 3.897 . 0 0 "[ . 1 . 2]" 1
195 1 19 GLN H 1 20 GLY H 3.220 . 3.720 2.478 2.091 2.724 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLN H 1 20 GLY HA3 5.310 . 5.810 5.139 4.805 5.332 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLN HA 1 19 GLN HG2 4.010 . 4.510 3.756 3.685 4.163 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLN HA 1 19 GLN HG3 4.010 . 4.510 4.059 3.676 4.178 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLN QB 1 20 GLY H 4.700 . 5.200 3.935 3.481 4.080 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLN QG 1 20 GLY H 4.750 . 5.250 3.410 3.068 3.703 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLN QG 1 20 GLY HA3 5.990 . 6.490 4.696 4.427 5.411 . 0 0 "[ . 1 . 2]" 1
202 1 19 GLN HG2 1 20 GLY H 4.930 . 5.430 3.585 3.306 4.415 . 0 0 "[ . 1 . 2]" 1
203 1 19 GLN HG3 1 20 GLY H 4.930 . 5.430 4.695 3.576 5.042 . 0 0 "[ . 1 . 2]" 1
204 1 21 CYS HA 1 22 LYS QZ 5.500 . 6.000 4.824 4.246 5.287 . 0 0 "[ . 1 . 2]" 1
205 1 21 CYS HA 1 36 CYS QB 5.960 . 6.460 3.216 2.456 4.506 . 0 0 "[ . 1 . 2]" 1
206 1 21 CYS QB 1 22 LYS H 3.670 . 4.170 2.662 1.788 3.395 0.012 19 0 "[ . 1 . 2]" 1
207 1 21 CYS QB 1 22 LYS QB 6.530 . 7.030 4.217 3.821 4.938 . 0 0 "[ . 1 . 2]" 1
208 1 21 CYS QB 1 36 CYS H 5.970 . 6.470 4.890 4.296 5.377 . 0 0 "[ . 1 . 2]" 1
209 1 21 CYS HB2 1 22 LYS H 3.980 . 4.480 3.760 1.795 4.142 0.005 19 0 "[ . 1 . 2]" 1
210 1 21 CYS HB3 1 22 LYS H 3.980 . 4.480 2.829 2.182 3.762 . 0 0 "[ . 1 . 2]" 1
211 1 22 LYS H 1 22 LYS HB2 4.020 . 4.520 2.586 2.297 2.795 . 0 0 "[ . 1 . 2]" 1
212 1 22 LYS H 1 22 LYS HB3 4.020 . 4.520 3.613 3.522 3.803 . 0 0 "[ . 1 . 2]" 1
213 1 22 LYS H 1 22 LYS QD 4.830 . 5.330 3.689 2.025 4.377 . 0 0 "[ . 1 . 2]" 1
214 1 22 LYS H 1 35 TYR QB 5.480 . 5.980 4.603 4.166 4.920 . 0 0 "[ . 1 . 2]" 1
215 1 22 LYS H 1 36 CYS H 5.200 . 5.700 5.038 4.470 5.276 . 0 0 "[ . 1 . 2]" 1
216 1 22 LYS H 1 36 CYS HA 5.500 . 6.000 4.678 4.081 5.526 . 0 0 "[ . 1 . 2]" 1
217 1 22 LYS H 1 36 CYS QB 3.970 . 4.470 2.289 2.014 2.633 . 0 0 "[ . 1 . 2]" 1
218 1 22 LYS QB 1 23 ASN H 4.190 . 4.690 2.335 1.980 2.586 . 0 0 "[ . 1 . 2]" 1
219 1 22 LYS QB 1 23 ASN QB 6.140 . 6.640 3.450 3.079 3.943 . 0 0 "[ . 1 . 2]" 1
220 1 22 LYS QB 1 35 TYR H 5.790 . 6.290 3.662 3.109 5.169 . 0 0 "[ . 1 . 2]" 1
221 1 22 LYS QB 1 35 TYR QB 4.080 . 4.580 2.371 2.015 2.887 . 0 0 "[ . 1 . 2]" 1
222 1 22 LYS QB 1 35 TYR QD 4.860 . 5.360 3.199 2.455 3.889 . 0 0 "[ . 1 . 2]" 1
223 1 22 LYS QB 1 35 TYR HD2 6.730 . 7.230 3.215 2.458 3.915 . 0 0 "[ . 1 . 2]" 1
224 1 22 LYS QB 1 36 CYS QB 4.110 . 4.610 2.998 2.220 3.330 . 0 0 "[ . 1 . 2]" 1
225 1 22 LYS HB2 1 23 ASN H 4.310 . 4.810 2.589 2.189 3.257 . 0 0 "[ . 1 . 2]" 1
226 1 22 LYS HB2 1 35 TYR QB 4.460 . 4.960 2.475 2.134 3.018 . 0 0 "[ . 1 . 2]" 1
227 1 22 LYS HB2 1 35 TYR QD 5.280 . 5.780 3.612 3.030 4.452 . 0 0 "[ . 1 . 2]" 1
228 1 22 LYS HB3 1 23 ASN H 4.310 . 4.810 3.171 1.997 3.721 . 0 0 "[ . 1 . 2]" 1
229 1 22 LYS HB3 1 35 TYR QB 4.460 . 4.960 3.208 2.169 3.895 . 0 0 "[ . 1 . 2]" 1
230 1 22 LYS HB3 1 35 TYR QD 5.280 . 5.780 3.676 2.495 4.633 . 0 0 "[ . 1 . 2]" 1
231 1 22 LYS QD 1 35 TYR QB 5.030 . 5.530 2.373 2.002 4.004 . 0 0 "[ . 1 . 2]" 1
232 1 22 LYS QD 1 35 TYR QD 6.540 . 7.040 3.955 3.127 5.256 . 0 0 "[ . 1 . 2]" 1
233 1 22 LYS QD 1 36 CYS HB2 5.460 . 5.960 3.884 2.188 5.032 . 0 0 "[ . 1 . 2]" 1
234 1 22 LYS QD 1 36 CYS QB 5.090 . 5.590 3.389 2.168 3.998 . 0 0 "[ . 1 . 2]" 1
235 1 22 LYS QD 1 36 CYS HB3 5.460 . 5.960 4.294 3.527 4.951 . 0 0 "[ . 1 . 2]" 1
236 1 22 LYS QG 1 23 ASN H 5.260 . 5.760 4.070 3.704 4.488 . 0 0 "[ . 1 . 2]" 1
237 1 22 LYS QZ 1 35 TYR HA 5.500 . 6.000 4.523 4.097 5.365 . 0 0 "[ . 1 . 2]" 1
238 1 22 LYS QZ 1 35 TYR QB 5.390 . 5.890 3.376 2.938 3.834 . 0 0 "[ . 1 . 2]" 1
239 1 22 LYS QZ 1 36 CYS H 5.500 . 6.000 4.565 4.187 5.087 . 0 0 "[ . 1 . 2]" 1
240 1 22 LYS QZ 1 36 CYS HA 4.960 . 5.460 2.904 2.261 3.647 . 0 0 "[ . 1 . 2]" 1
241 1 22 LYS QZ 1 36 CYS QB 4.530 . 5.030 2.830 2.384 3.729 . 0 0 "[ . 1 . 2]" 1
242 1 23 ASN H 1 23 ASN HB2 4.140 . 4.640 3.068 2.148 3.355 . 0 0 "[ . 1 . 2]" 1
243 1 23 ASN H 1 23 ASN HB3 4.140 . 4.640 3.243 2.981 3.824 . 0 0 "[ . 1 . 2]" 1
244 1 23 ASN H 1 35 TYR H 5.500 . 6.000 3.861 3.045 5.525 . 0 0 "[ . 1 . 2]" 1
245 1 23 ASN H 1 35 TYR QB 4.920 . 5.420 3.864 3.453 4.406 . 0 0 "[ . 1 . 2]" 1
246 1 23 ASN H 1 35 TYR QD 5.350 . 5.850 3.915 2.395 4.832 . 0 0 "[ . 1 . 2]" 1
247 1 23 ASN H 1 36 CYS H 5.500 . 6.000 5.258 4.349 5.644 . 0 0 "[ . 1 . 2]" 1
248 1 23 ASN QB 1 24 GLY H 3.490 . 3.990 3.037 2.504 3.300 . 0 0 "[ . 1 . 2]" 1
249 1 23 ASN QB 1 34 TYR QD 4.670 . 5.170 2.849 2.323 3.664 . 0 0 "[ . 1 . 2]" 1
250 1 23 ASN QB 1 34 TYR HD2 5.720 . 6.220 2.855 2.323 3.670 . 0 0 "[ . 1 . 2]" 1
251 1 23 ASN QB 1 35 TYR QD 5.470 . 5.970 2.938 2.312 3.912 . 0 0 "[ . 1 . 2]" 1
252 1 23 ASN HB2 1 24 GLY H 3.920 . 4.420 3.924 3.837 3.980 . 0 0 "[ . 1 . 2]" 1
253 1 23 ASN HB2 1 34 TYR QD 5.020 . 5.520 4.258 3.245 4.528 . 0 0 "[ . 1 . 2]" 1
254 1 23 ASN HB2 1 35 TYR QE 6.170 . 6.670 4.159 2.755 5.573 . 0 0 "[ . 1 . 2]" 1
255 1 23 ASN HB3 1 24 GLY H 3.920 . 4.420 3.179 2.536 3.548 . 0 0 "[ . 1 . 2]" 1
256 1 23 ASN HB3 1 34 TYR QD 5.020 . 5.520 2.935 2.337 4.026 . 0 0 "[ . 1 . 2]" 1
257 1 23 ASN HB3 1 35 TYR QE 6.170 . 6.670 3.805 2.389 5.516 . 0 0 "[ . 1 . 2]" 1
258 1 23 ASN QD 1 34 TYR HD2 6.720 . 7.220 4.059 2.861 5.351 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLY H 1 34 TYR QD 6.170 . 6.670 4.076 3.073 5.065 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLY HA2 1 33 CYS HA 4.160 . 4.660 2.536 2.117 3.245 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLY HA2 1 34 TYR H 4.670 . 5.170 2.705 2.226 3.361 . 0 0 "[ . 1 . 2]" 1
262 1 24 GLY HA2 1 34 TYR QD 5.150 . 5.650 2.993 2.306 3.657 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLY HA2 1 34 TYR HD2 6.170 . 6.670 3.271 2.306 4.017 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLY HA3 1 33 CYS HA 3.920 . 4.420 2.582 2.170 3.421 . 0 0 "[ . 1 . 2]" 1
265 1 24 GLY HA3 1 34 TYR QD 6.170 . 6.670 4.503 3.886 5.228 . 0 0 "[ . 1 . 2]" 1
266 1 24 GLY HA3 1 34 TYR QE 6.170 . 6.670 5.233 4.310 5.554 . 0 0 "[ . 1 . 2]" 1
267 1 25 LYS H 1 25 LYS HB2 3.770 . 4.270 2.990 2.609 3.927 . 0 0 "[ . 1 . 2]" 1
268 1 25 LYS H 1 25 LYS QB 3.480 . 3.980 2.619 2.353 3.061 . 0 0 "[ . 1 . 2]" 1
269 1 25 LYS H 1 25 LYS HB3 3.770 . 4.270 3.157 2.453 3.803 . 0 0 "[ . 1 . 2]" 1
270 1 25 LYS H 1 25 LYS QG 4.880 . 5.380 3.860 2.658 4.322 . 0 0 "[ . 1 . 2]" 1
271 1 25 LYS H 1 31 CYS HA 4.830 . 5.330 4.609 4.343 4.849 . 0 0 "[ . 1 . 2]" 1
272 1 25 LYS H 1 32 LYS H 4.430 . 4.930 3.090 2.750 3.644 . 0 0 "[ . 1 . 2]" 1
273 1 25 LYS H 1 33 CYS HA 5.030 . 5.530 3.764 3.519 4.655 . 0 0 "[ . 1 . 2]" 1
274 1 25 LYS H 1 34 TYR QD 5.620 . 6.120 4.194 3.406 4.826 . 0 0 "[ . 1 . 2]" 1
275 1 25 LYS H 1 34 TYR QE 5.290 . 5.790 3.816 2.950 4.561 . 0 0 "[ . 1 . 2]" 1
276 1 25 LYS QB 1 34 TYR QD 5.770 . 6.270 4.117 3.619 4.630 . 0 0 "[ . 1 . 2]" 1
277 1 25 LYS QB 1 34 TYR HD2 4.550 . 5.050 3.331 2.165 4.520 . 0 0 "[ . 1 . 2]" 1
278 1 25 LYS HB2 1 34 TYR QE 4.750 . 5.250 2.810 2.102 4.288 . 0 0 "[ . 1 . 2]" 1
279 1 25 LYS HB3 1 34 TYR QE 4.750 . 5.250 3.437 2.209 4.353 . 0 0 "[ . 1 . 2]" 1
280 1 25 LYS QD 1 26 CYS H 5.650 . 6.150 3.728 2.705 4.783 . 0 0 "[ . 1 . 2]" 1
281 1 25 LYS QD 1 34 TYR QD 6.920 . 7.420 5.364 4.472 5.575 . 0 0 "[ . 1 . 2]" 1
282 1 25 LYS QD 1 34 TYR QE 5.520 . 6.020 3.626 2.532 4.399 . 0 0 "[ . 1 . 2]" 1
283 1 25 LYS QG 1 26 CYS H 6.170 . 6.670 3.118 2.048 4.361 . 0 0 "[ . 1 . 2]" 1
284 1 25 LYS QG 1 34 TYR QD 6.930 . 7.430 5.011 3.709 5.651 . 0 0 "[ . 1 . 2]" 1
285 1 25 LYS QG 1 34 TYR QE 5.630 . 6.130 3.366 2.161 4.027 . 0 0 "[ . 1 . 2]" 1
286 1 26 CYS H 1 31 CYS HA 5.500 . 6.000 4.802 4.514 5.246 . 0 0 "[ . 1 . 2]" 1
287 1 26 CYS H 1 32 LYS H 5.500 . 6.000 4.972 4.823 5.207 . 0 0 "[ . 1 . 2]" 1
288 1 26 CYS QB 1 27 MET H 5.010 . 5.510 3.339 2.399 3.912 . 0 0 "[ . 1 . 2]" 1
289 1 26 CYS QB 1 31 CYS HA 5.870 . 6.370 3.964 3.236 4.736 . 0 0 "[ . 1 . 2]" 1
290 1 26 CYS QB 1 32 LYS H 5.990 . 6.490 5.043 4.620 5.391 . 0 0 "[ . 1 . 2]" 1
291 1 27 MET H 1 28 ASN H 5.380 . 5.880 3.263 1.802 4.381 . 0 0 "[ . 1 . 2]" 1
292 1 27 MET H 1 29 ARG H 5.500 . 6.000 4.630 3.919 5.598 . 0 0 "[ . 1 . 2]" 1
293 1 27 MET H 1 30 LYS H 4.190 . 4.690 3.490 2.670 4.202 . 0 0 "[ . 1 . 2]" 1
294 1 27 MET H 1 30 LYS QB 5.100 . 5.600 4.156 3.797 4.545 . 0 0 "[ . 1 . 2]" 1
295 1 27 MET H 1 31 CYS HA 5.500 . 6.000 3.633 2.881 5.114 . 0 0 "[ . 1 . 2]" 1
296 1 27 MET H 1 32 LYS H 5.500 . 6.000 4.647 3.481 5.429 . 0 0 "[ . 1 . 2]" 1
297 1 27 MET QB 1 30 LYS QB 5.810 . 6.310 3.708 2.181 4.631 . 0 0 "[ . 1 . 2]" 1
298 1 27 MET HB2 1 28 ASN H 5.500 . 6.000 3.192 2.258 4.479 . 0 0 "[ . 1 . 2]" 1
299 1 27 MET HB3 1 28 ASN H 5.500 . 6.000 3.324 1.917 4.451 . 0 0 "[ . 1 . 2]" 1
300 1 27 MET QG 1 28 ASN H 6.170 . 6.670 3.670 1.795 4.553 0.005 16 0 "[ . 1 . 2]" 1
301 1 27 MET QG 1 30 LYS QB 6.800 . 7.300 4.537 2.653 5.431 . 0 0 "[ . 1 . 2]" 1
302 1 28 ASN H 1 29 ARG H 4.160 . 4.660 3.355 2.082 4.206 . 0 0 "[ . 1 . 2]" 1
303 1 28 ASN H 1 29 ARG HA 5.500 . 6.000 5.001 4.192 5.650 . 0 0 "[ . 1 . 2]" 1
304 1 28 ASN H 1 29 ARG QG 5.990 . 6.490 5.135 4.543 5.513 . 0 0 "[ . 1 . 2]" 1
305 1 28 ASN H 1 30 LYS H 5.500 . 6.000 3.420 2.603 4.618 . 0 0 "[ . 1 . 2]" 1
306 1 28 ASN HA 1 30 LYS H 4.820 . 5.320 4.559 3.912 4.983 . 0 0 "[ . 1 . 2]" 1
307 1 28 ASN QB 1 30 LYS H 5.990 . 6.490 4.025 3.575 4.542 . 0 0 "[ . 1 . 2]" 1
308 1 28 ASN QB 1 30 LYS QB 6.730 . 7.230 4.848 3.546 5.365 . 0 0 "[ . 1 . 2]" 1
309 1 29 ARG H 1 29 ARG HB2 4.190 . 4.690 3.496 2.504 4.018 . 0 0 "[ . 1 . 2]" 1
310 1 29 ARG H 1 29 ARG HB3 4.190 . 4.690 3.280 2.708 3.904 . 0 0 "[ . 1 . 2]" 1
311 1 29 ARG H 1 29 ARG QD 5.130 . 5.630 4.338 2.353 4.843 . 0 0 "[ . 1 . 2]" 1
312 1 29 ARG H 1 29 ARG HE 5.500 . 6.000 5.039 3.617 5.697 . 0 0 "[ . 1 . 2]" 1
313 1 29 ARG H 1 29 ARG HG2 4.140 . 4.640 2.852 2.119 3.373 . 0 0 "[ . 1 . 2]" 1
314 1 29 ARG H 1 29 ARG QG 3.750 . 4.250 2.749 2.077 3.235 . 0 0 "[ . 1 . 2]" 1
315 1 29 ARG H 1 29 ARG HG3 4.140 . 4.640 3.723 2.658 4.250 . 0 0 "[ . 1 . 2]" 1
316 1 29 ARG H 1 30 LYS H 4.000 . 4.500 2.534 1.737 3.485 0.063 2 0 "[ . 1 . 2]" 1
317 1 29 ARG QG 1 30 LYS H 5.310 . 5.810 3.726 2.640 4.335 . 0 0 "[ . 1 . 2]" 1
318 1 29 ARG QG 1 30 LYS QG 4.940 . 5.440 3.434 2.293 4.090 . 0 0 "[ . 1 . 2]" 1
319 1 30 LYS H 1 30 LYS QE 6.170 . 6.670 4.857 3.496 5.584 . 0 0 "[ . 1 . 2]" 1
320 1 30 LYS H 1 30 LYS HG2 4.720 . 5.220 3.328 2.585 4.432 . 0 0 "[ . 1 . 2]" 1
321 1 30 LYS H 1 30 LYS QG 4.660 . 5.160 2.864 2.555 3.274 . 0 0 "[ . 1 . 2]" 1
322 1 30 LYS H 1 30 LYS HG3 4.720 . 5.220 3.654 2.653 4.240 . 0 0 "[ . 1 . 2]" 1
323 1 30 LYS H 1 31 CYS H 5.500 . 6.000 4.546 4.425 4.629 . 0 0 "[ . 1 . 2]" 1
324 1 30 LYS HA 1 31 CYS H 3.180 . 3.680 2.364 2.140 2.522 . 0 0 "[ . 1 . 2]" 1
325 1 30 LYS QB 1 31 CYS H 4.040 . 4.540 2.489 2.150 3.106 . 0 0 "[ . 1 . 2]" 1
326 1 30 LYS QB 1 31 CYS QB 6.730 . 7.230 4.351 3.994 4.851 . 0 0 "[ . 1 . 2]" 1
327 1 30 LYS QE 1 31 CYS H 6.170 . 6.670 5.067 3.833 5.589 . 0 0 "[ . 1 . 2]" 1
328 1 30 LYS HG2 1 31 CYS H 5.500 . 6.000 4.514 3.459 5.177 . 0 0 "[ . 1 . 2]" 1
329 1 30 LYS HG3 1 31 CYS H 5.500 . 6.000 4.847 4.447 5.452 . 0 0 "[ . 1 . 2]" 1
330 1 31 CYS H 1 31 CYS HB2 3.670 . 4.170 3.047 2.502 3.384 . 0 0 "[ . 1 . 2]" 1
331 1 31 CYS H 1 31 CYS QB 3.570 . 4.070 2.383 2.044 2.775 . 0 0 "[ . 1 . 2]" 1
332 1 31 CYS H 1 31 CYS HB3 3.670 . 4.170 2.552 2.083 3.196 . 0 0 "[ . 1 . 2]" 1
333 1 31 CYS H 1 32 LYS H 5.260 . 5.760 4.411 4.029 4.593 . 0 0 "[ . 1 . 2]" 1
334 1 31 CYS HA 1 32 LYS H 3.290 . 3.790 2.193 2.068 2.337 . 0 0 "[ . 1 . 2]" 1
335 1 31 CYS HA 1 32 LYS HB2 5.500 . 6.000 4.539 4.276 4.745 . 0 0 "[ . 1 . 2]" 1
336 1 31 CYS HA 1 32 LYS QB 5.210 . 5.710 4.049 3.760 4.307 . 0 0 "[ . 1 . 2]" 1
337 1 31 CYS HA 1 32 LYS HB3 5.500 . 6.000 4.620 4.098 5.628 . 0 0 "[ . 1 . 2]" 1
338 1 31 CYS QB 1 32 LYS H 4.680 . 5.180 3.652 3.279 4.089 . 0 0 "[ . 1 . 2]" 1
339 1 31 CYS HB2 1 32 LYS H 4.900 . 5.400 4.135 3.640 4.656 . 0 0 "[ . 1 . 2]" 1
340 1 31 CYS HB3 1 32 LYS H 4.900 . 5.400 4.114 3.449 4.614 . 0 0 "[ . 1 . 2]" 1
341 1 32 LYS H 1 32 LYS HB2 3.850 . 4.350 2.911 2.316 3.335 . 0 0 "[ . 1 . 2]" 1
342 1 32 LYS H 1 32 LYS QB 3.730 . 4.230 2.388 2.104 2.714 . 0 0 "[ . 1 . 2]" 1
343 1 32 LYS H 1 32 LYS HB3 3.850 . 4.350 2.639 2.273 3.792 . 0 0 "[ . 1 . 2]" 1
344 1 32 LYS H 1 32 LYS QE 6.170 . 6.670 5.214 4.301 5.743 . 0 0 "[ . 1 . 2]" 1
345 1 32 LYS HA 1 33 CYS H 2.900 . 3.400 2.155 2.082 2.243 . 0 0 "[ . 1 . 2]" 1
346 1 32 LYS QB 1 33 CYS H 4.620 . 5.120 3.827 3.360 4.041 . 0 0 "[ . 1 . 2]" 1
347 1 32 LYS QB 1 34 TYR QD 6.730 . 7.230 4.417 3.190 5.375 . 0 0 "[ . 1 . 2]" 1
348 1 32 LYS QE 1 33 CYS H 5.500 . 6.000 4.335 2.427 5.025 . 0 0 "[ . 1 . 2]" 1
349 1 32 LYS QE 1 34 TYR QD 6.930 . 7.430 4.111 2.702 5.563 . 0 0 "[ . 1 . 2]" 1
350 1 32 LYS QE 1 34 TYR QE 6.550 . 7.050 4.206 2.425 5.232 . 0 0 "[ . 1 . 2]" 1
351 1 32 LYS QG 1 33 CYS H 5.440 . 5.940 3.308 2.500 4.733 . 0 0 "[ . 1 . 2]" 1
352 1 32 LYS QG 1 34 TYR QD 6.930 . 7.430 3.516 2.400 5.340 . 0 0 "[ . 1 . 2]" 1
353 1 32 LYS QG 1 34 TYR QE 6.930 . 7.430 3.588 2.405 4.954 . 0 0 "[ . 1 . 2]" 1
354 1 33 CYS H 1 33 CYS HB2 3.240 . 3.740 2.433 2.240 2.688 . 0 0 "[ . 1 . 2]" 1
355 1 33 CYS H 1 33 CYS HB3 3.690 . 4.190 3.535 3.116 3.718 . 0 0 "[ . 1 . 2]" 1
356 1 33 CYS HA 1 34 TYR H 3.070 . 3.570 2.193 2.114 2.314 . 0 0 "[ . 1 . 2]" 1
357 1 33 CYS HA 1 34 TYR QD 5.370 . 5.870 4.131 3.415 4.769 . 0 0 "[ . 1 . 2]" 1
358 1 33 CYS HB3 1 34 TYR H 3.710 . 4.210 3.415 2.884 3.750 . 0 0 "[ . 1 . 2]" 1
359 1 34 TYR H 1 34 TYR HB2 3.740 . 4.240 2.412 2.259 2.612 . 0 0 "[ . 1 . 2]" 1
360 1 34 TYR H 1 34 TYR QB 3.640 . 4.140 2.377 2.234 2.562 . 0 0 "[ . 1 . 2]" 1
361 1 34 TYR H 1 34 TYR HB3 3.740 . 4.240 3.598 3.520 3.749 . 0 0 "[ . 1 . 2]" 1
362 1 34 TYR H 1 34 TYR QD 4.640 . 5.140 3.156 2.483 3.643 . 0 0 "[ . 1 . 2]" 1
363 1 34 TYR H 1 34 TYR QE 6.160 . 6.660 4.958 4.327 5.287 . 0 0 "[ . 1 . 2]" 1
364 1 34 TYR H 1 35 TYR H 4.490 . 4.990 2.981 2.418 4.520 . 0 0 "[ . 1 . 2]" 1
365 1 34 TYR H 1 35 TYR QD 6.170 . 6.670 4.989 4.526 5.490 . 0 0 "[ . 1 . 2]" 1
366 1 34 TYR QB 1 35 TYR H 3.650 . 4.150 2.380 1.959 2.706 . 0 0 "[ . 1 . 2]" 1
367 1 34 TYR QB 1 35 TYR QD 5.100 . 5.600 2.884 2.313 3.216 . 0 0 "[ . 1 . 2]" 1
368 1 34 TYR QB 1 35 TYR HD2 5.980 . 6.480 2.858 2.314 3.264 . 0 0 "[ . 1 . 2]" 1
369 1 34 TYR HB2 1 35 TYR H 3.760 . 4.260 2.573 2.081 3.840 . 0 0 "[ . 1 . 2]" 1
370 1 34 TYR HB2 1 35 TYR QE 6.170 . 6.670 3.771 3.368 4.621 . 0 0 "[ . 1 . 2]" 1
371 1 34 TYR HB3 1 35 TYR H 3.760 . 4.260 3.134 2.171 3.597 . 0 0 "[ . 1 . 2]" 1
372 1 34 TYR HB3 1 35 TYR QE 6.170 . 6.670 3.279 3.023 3.808 . 0 0 "[ . 1 . 2]" 1
373 1 34 TYR QD 1 35 TYR H 4.950 . 5.450 4.289 3.697 4.476 . 0 0 "[ . 1 . 2]" 1
374 1 34 TYR QD 1 35 TYR QB 6.930 . 7.430 5.398 5.066 5.593 . 0 0 "[ . 1 . 2]" 1
375 1 35 TYR H 1 35 TYR QD 5.130 . 5.630 3.274 2.757 3.595 . 0 0 "[ . 1 . 2]" 1
376 1 35 TYR H 1 36 CYS H 3.340 . 3.840 2.776 2.243 3.370 . 0 0 "[ . 1 . 2]" 1
377 1 35 TYR H 1 36 CYS HB2 5.500 . 6.000 4.949 4.150 5.574 . 0 0 "[ . 1 . 2]" 1
378 1 35 TYR H 1 36 CYS HB3 5.500 . 6.000 4.211 3.589 5.123 . 0 0 "[ . 1 . 2]" 1
379 1 35 TYR HA 1 35 TYR QD 4.020 . 4.520 2.512 2.354 2.898 . 0 0 "[ . 1 . 2]" 1
380 1 35 TYR HA 1 35 TYR QE 5.530 . 6.030 4.634 4.391 4.822 . 0 0 "[ . 1 . 2]" 1
381 1 35 TYR QB 1 36 CYS H 4.760 . 5.260 3.805 3.353 3.936 . 0 0 "[ . 1 . 2]" 1
382 1 35 TYR QD 1 36 CYS H 6.170 . 6.670 4.926 4.745 5.022 . 0 0 "[ . 1 . 2]" 1
383 1 36 CYS H 1 36 CYS HB2 3.560 . 4.060 3.466 2.813 3.793 . 0 0 "[ . 1 . 2]" 1
384 1 36 CYS H 1 36 CYS QB 3.410 . 3.910 2.742 2.327 3.026 . 0 0 "[ . 1 . 2]" 1
385 1 36 CYS H 1 36 CYS HB3 3.560 . 4.060 2.885 2.422 3.220 . 0 0 "[ . 1 . 2]" 1
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