Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595804 | 2mt8 RC | 25152 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mt8
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 403
_Distance_constraint_stats_list.Viol_count 937
_Distance_constraint_stats_list.Viol_total 2525.526
_Distance_constraint_stats_list.Viol_max 1.979
_Distance_constraint_stats_list.Viol_rms 0.1314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0157
_Distance_constraint_stats_list.Viol_average_violations_only 0.1348
_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 CYS 0.406 0.120 7 0 "[ . 1 . 2]"
1 2 GLU 0.971 0.126 9 0 "[ . 1 . 2]"
1 3 ALA 1.869 0.211 18 0 "[ . 1 . 2]"
1 4 ILE 2.669 0.211 18 0 "[ . 1 . 2]"
1 5 TYR 1.629 0.113 14 0 "[ . 1 . 2]"
1 6 ALA 2.388 0.117 1 0 "[ . 1 . 2]"
1 7 ALA 0.018 0.012 12 0 "[ . 1 . 2]"
1 8 PRO 0.259 0.048 4 0 "[ . 1 . 2]"
1 9 LYS 0.927 0.089 3 0 "[ . 1 . 2]"
1 10 CYS 0.050 0.025 1 0 "[ . 1 . 2]"
1 11 ARG 0.387 0.053 18 0 "[ . 1 . 2]"
1 12 ARG 71.616 1.979 18 19 "[ **************-*+**]"
1 13 ASP 23.803 1.632 15 6 "[ * . * 1 + * -*]"
1 14 SER 6.086 0.142 11 0 "[ . 1 . 2]"
1 15 ASP 70.410 1.979 18 19 "[ **************-*+**]"
1 16 CYS 2.102 0.153 18 0 "[ . 1 . 2]"
1 17 PRO 0.675 0.079 20 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.067 0.027 9 0 "[ . 1 . 2]"
1 20 CYS 2.535 0.098 11 0 "[ . 1 . 2]"
1 21 ILE 1.385 0.098 11 0 "[ . 1 . 2]"
1 22 CYS 16.840 1.632 15 6 "[ * . * 1 + * -*]"
1 23 ARG 3.046 0.120 9 0 "[ . 1 . 2]"
1 24 GLY 0.492 0.055 9 0 "[ . 1 . 2]"
1 25 ASN 0.548 0.073 2 0 "[ . 1 . 2]"
1 26 GLY 2.865 0.130 18 0 "[ . 1 . 2]"
1 27 TYR 4.069 0.130 18 0 "[ . 1 . 2]"
1 28 CYS 0.382 0.048 4 0 "[ . 1 . 2]"
1 29 GLY 0.636 0.044 18 0 "[ . 1 . 2]"
1 30 GLU 3.993 0.142 11 0 "[ . 1 . 2]"
1 31 ALA 3.554 0.134 11 0 "[ . 1 . 2]"
1 32 ILE 3.834 0.256 4 0 "[ . 1 . 2]"
1 33 TYR 3.724 0.256 4 0 "[ . 1 . 2]"
1 34 ALA 0.144 0.039 2 0 "[ . 1 . 2]"
1 35 ALA 0.428 0.214 7 0 "[ . 1 . 2]"
1 36 PRO 1.157 0.214 7 0 "[ . 1 . 2]"
1 37 PHE 2.422 0.145 15 0 "[ . 1 . 2]"
1 38 ALA 1.241 0.142 11 0 "[ . 1 . 2]"
1 39 ARG 1.991 0.176 17 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 CYS HA 1 2 GLU H 2.380 . 2.960 2.552 2.084 3.080 0.120 7 0 "[ . 1 . 2]" 1
2 1 1 CYS QB 1 2 GLU H 3.500 . 5.200 3.760 3.254 4.040 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLU H 1 2 GLU HB2 2.795 . 3.790 2.670 2.371 3.628 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLU H 1 2 GLU QB 2.485 . 3.170 2.480 2.209 2.759 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLU H 1 2 GLU HB3 2.795 . 3.790 3.351 2.408 3.818 0.028 12 0 "[ . 1 . 2]" 1
6 1 2 GLU H 1 2 GLU QG 4.000 . 6.200 2.955 1.794 4.124 0.006 18 0 "[ . 1 . 2]" 1
7 1 2 GLU H 1 39 ARG QB 3.005 . 4.210 3.512 2.362 4.288 0.078 7 0 "[ . 1 . 2]" 1
8 1 2 GLU HB2 1 3 ALA H 2.815 . 3.830 3.501 2.375 3.956 0.126 9 0 "[ . 1 . 2]" 1
9 1 2 GLU HB3 1 3 ALA H 2.815 . 3.830 2.916 2.083 3.842 0.012 14 0 "[ . 1 . 2]" 1
10 1 2 GLU QG 1 3 ALA H 4.090 . 6.380 3.729 1.771 4.522 0.029 15 0 "[ . 1 . 2]" 1
11 1 3 ALA H 1 3 ALA MB 2.920 . 4.040 2.513 2.175 2.807 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA H 1 4 ILE H 2.860 . 3.920 3.877 2.554 4.131 0.211 18 0 "[ . 1 . 2]" 1
13 1 3 ALA HA 1 4 ILE H 2.380 . 2.960 2.197 1.961 2.786 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA HA 1 5 TYR H 2.970 . 4.140 3.872 3.236 4.185 0.045 5 0 "[ . 1 . 2]" 1
15 1 3 ALA MB 1 4 ILE H 3.370 . 4.940 3.157 2.554 3.667 . 0 0 "[ . 1 . 2]" 1
16 1 3 ALA MB 1 5 TYR H 3.710 . 5.620 3.728 2.793 5.279 . 0 0 "[ . 1 . 2]" 1
17 1 4 ILE H 1 4 ILE HB 2.485 . 3.170 2.621 2.498 2.752 . 0 0 "[ . 1 . 2]" 1
18 1 4 ILE H 1 4 ILE MD 4.160 . 6.520 3.487 2.063 4.042 . 0 0 "[ . 1 . 2]" 1
19 1 4 ILE H 1 4 ILE HG12 3.015 . 4.230 3.567 2.268 4.243 0.013 12 0 "[ . 1 . 2]" 1
20 1 4 ILE H 1 4 ILE QG 2.725 . 3.650 2.568 2.196 3.427 . 0 0 "[ . 1 . 2]" 1
21 1 4 ILE H 1 4 ILE HG13 3.015 . 4.230 2.840 2.219 3.916 . 0 0 "[ . 1 . 2]" 1
22 1 4 ILE H 1 4 ILE MG 3.540 . 5.280 3.851 3.783 3.903 . 0 0 "[ . 1 . 2]" 1
23 1 4 ILE HA 1 4 ILE MD 3.635 . 5.470 3.514 2.023 3.902 . 0 0 "[ . 1 . 2]" 1
24 1 4 ILE HA 1 5 TYR H 2.650 . 3.500 3.446 3.334 3.510 0.010 5 0 "[ . 1 . 2]" 1
25 1 4 ILE HA 1 6 ALA H 3.170 . 4.540 4.552 4.064 4.657 0.117 1 0 "[ . 1 . 2]" 1
26 1 4 ILE HB 1 5 TYR H 2.580 . 3.360 2.830 1.907 3.321 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE MD 1 5 TYR QE 5.225 . 8.650 8.421 7.667 8.753 0.103 9 0 "[ . 1 . 2]" 1
28 1 4 ILE QG 1 5 TYR H 3.270 . 4.740 4.070 3.540 4.656 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE HG12 1 5 TYR H 3.605 . 5.410 4.897 3.765 5.425 0.015 13 0 "[ . 1 . 2]" 1
30 1 4 ILE HG13 1 5 TYR H 3.605 . 5.410 4.438 3.828 5.390 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE MG 1 5 TYR H 3.665 . 5.530 3.643 3.011 3.959 . 0 0 "[ . 1 . 2]" 1
32 1 4 ILE MG 1 5 TYR HA 3.975 . 6.150 3.644 3.390 3.875 . 0 0 "[ . 1 . 2]" 1
33 1 4 ILE MG 1 5 TYR QD 5.225 . 8.650 4.834 4.132 5.243 . 0 0 "[ . 1 . 2]" 1
34 1 4 ILE MG 1 5 TYR QE 5.225 . 8.650 6.584 5.929 6.902 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE MG 1 6 ALA H 4.130 . 6.460 5.131 4.618 5.463 . 0 0 "[ . 1 . 2]" 1
36 1 4 ILE MG 1 7 ALA MB 4.670 . 7.540 5.316 3.039 7.544 0.004 12 0 "[ . 1 . 2]" 1
37 1 5 TYR H 1 5 TYR HB2 2.505 . 3.210 2.612 2.411 2.762 . 0 0 "[ . 1 . 2]" 1
38 1 5 TYR H 1 5 TYR QB 2.300 . 2.800 2.277 2.075 2.353 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR H 1 5 TYR HB3 2.505 . 3.210 2.527 2.157 2.708 . 0 0 "[ . 1 . 2]" 1
40 1 5 TYR H 1 5 TYR QD 4.715 . 7.630 4.216 4.023 4.285 . 0 0 "[ . 1 . 2]" 1
41 1 5 TYR HA 1 5 TYR QD 4.080 . 6.360 2.762 2.520 3.066 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR HA 1 6 ALA H 2.650 . 3.500 3.436 3.374 3.505 0.005 17 0 "[ . 1 . 2]" 1
43 1 5 TYR QB 1 6 ALA H 2.470 . 3.140 2.465 2.333 2.701 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR HB2 1 6 ALA H 2.705 . 3.610 3.673 3.627 3.723 0.113 14 0 "[ . 1 . 2]" 1
45 1 5 TYR HB3 1 6 ALA H 2.705 . 3.610 2.507 2.361 2.782 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QD 1 6 ALA H 4.715 . 7.630 3.747 3.468 4.149 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QD 1 6 ALA MB 5.225 . 8.650 2.851 2.438 4.075 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR QE 1 6 ALA MB 5.225 . 8.650 4.247 3.352 5.874 . 0 0 "[ . 1 . 2]" 1
49 1 6 ALA H 1 6 ALA MB 2.920 . 4.040 2.586 2.294 2.903 . 0 0 "[ . 1 . 2]" 1
50 1 6 ALA HA 1 7 ALA H 2.650 . 3.500 2.337 2.097 3.077 . 0 0 "[ . 1 . 2]" 1
51 1 6 ALA HA 1 7 ALA MB 3.910 . 6.020 4.129 3.947 4.696 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA H 1 7 ALA MB 2.840 . 3.880 2.230 2.179 2.274 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA H 1 8 PRO HD2 3.650 . 5.500 5.095 4.777 5.358 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 8 PRO QD 3.230 . 4.660 4.238 4.019 4.497 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 8 PRO HD3 3.650 . 5.500 4.586 4.167 5.137 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA HA 1 8 PRO HD2 2.610 . 3.420 2.457 2.050 2.775 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA HA 1 8 PRO QD 2.360 . 2.920 1.961 1.865 2.288 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 8 PRO HD3 2.610 . 3.420 2.128 1.911 2.440 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA MB 1 8 PRO HD2 3.585 . 5.370 3.019 2.008 3.764 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA MB 1 8 PRO QD 3.155 . 4.510 2.837 1.986 3.288 . 0 0 "[ . 1 . 2]" 1
61 1 7 ALA MB 1 8 PRO HD3 3.585 . 5.370 3.604 3.135 3.879 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA MB 1 27 TYR QB 3.205 . 4.610 3.234 1.986 4.622 0.012 12 0 "[ . 1 . 2]" 1
63 1 7 ALA MB 1 28 CYS H 3.925 . 6.050 4.604 2.536 5.855 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HA 1 9 LYS H 2.225 . 2.650 2.172 2.084 2.390 . 0 0 "[ . 1 . 2]" 1
65 1 8 PRO QD 1 28 CYS H 3.575 . 5.350 3.812 2.992 4.675 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HD2 1 28 CYS QB 4.090 . 6.380 3.585 2.233 4.598 . 0 0 "[ . 1 . 2]" 1
67 1 8 PRO HD3 1 28 CYS QB 4.090 . 6.380 4.683 3.797 5.111 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO O 1 28 CYS H 1.900 . 2.000 1.815 1.752 2.014 0.048 4 0 "[ . 1 . 2]" 1
69 1 8 PRO O 1 28 CYS N 2.400 . 3.000 2.783 2.723 2.949 . 0 0 "[ . 1 . 2]" 1
70 1 9 LYS H 1 9 LYS QD 3.255 . 4.710 3.904 3.716 4.131 . 0 0 "[ . 1 . 2]" 1
71 1 9 LYS H 1 9 LYS QG 2.760 . 3.720 2.243 1.796 2.621 0.004 15 0 "[ . 1 . 2]" 1
72 1 9 LYS HA 1 10 CYS H 2.225 . 2.650 2.309 2.159 2.416 . 0 0 "[ . 1 . 2]" 1
73 1 9 LYS HA 1 27 TYR H 3.170 . 4.540 4.586 4.545 4.629 0.089 3 0 "[ . 1 . 2]" 1
74 1 9 LYS HA 1 27 TYR HA 2.505 . 3.210 1.983 1.819 2.217 . 0 0 "[ . 1 . 2]" 1
75 1 9 LYS HA 1 27 TYR QD 4.405 . 7.010 2.829 2.241 3.928 . 0 0 "[ . 1 . 2]" 1
76 1 9 LYS HA 1 27 TYR QE 4.715 . 7.630 4.060 3.688 5.053 . 0 0 "[ . 1 . 2]" 1
77 1 9 LYS HA 1 28 CYS H 2.845 . 3.890 3.322 2.924 3.699 . 0 0 "[ . 1 . 2]" 1
78 1 9 LYS QB 1 9 LYS QZ 4.580 . 7.360 3.590 2.629 4.012 . 0 0 "[ . 1 . 2]" 1
79 1 9 LYS QB 1 10 CYS H 3.595 . 5.390 2.607 2.310 2.966 . 0 0 "[ . 1 . 2]" 1
80 1 9 LYS QB 1 27 TYR QE 5.155 . 8.510 3.732 2.457 5.512 . 0 0 "[ . 1 . 2]" 1
81 1 9 LYS QD 1 27 TYR QD 5.155 . 8.510 4.868 2.800 6.808 . 0 0 "[ . 1 . 2]" 1
82 1 9 LYS QD 1 27 TYR QE 5.160 . 8.520 4.015 2.748 6.708 . 0 0 "[ . 1 . 2]" 1
83 1 9 LYS QE 1 27 TYR QE 5.160 . 8.520 4.272 2.464 5.799 . 0 0 "[ . 1 . 2]" 1
84 1 9 LYS QG 1 27 TYR QD 4.015 . 6.230 3.921 2.616 6.027 . 0 0 "[ . 1 . 2]" 1
85 1 9 LYS QG 1 27 TYR QE 4.075 . 6.350 3.531 2.005 6.251 . 0 0 "[ . 1 . 2]" 1
86 1 9 LYS HG2 1 9 LYS QZ 4.140 . 6.480 3.144 1.977 3.776 . 0 0 "[ . 1 . 2]" 1
87 1 9 LYS HG2 1 10 CYS H 3.650 . 5.500 4.566 3.998 5.005 . 0 0 "[ . 1 . 2]" 1
88 1 9 LYS HG3 1 9 LYS QZ 4.140 . 6.480 3.038 1.954 4.140 . 0 0 "[ . 1 . 2]" 1
89 1 9 LYS HG3 1 10 CYS H 3.650 . 5.500 4.462 3.725 5.120 . 0 0 "[ . 1 . 2]" 1
90 1 10 CYS H 1 10 CYS HB2 2.920 . 4.040 3.770 3.642 3.886 . 0 0 "[ . 1 . 2]" 1
91 1 10 CYS H 1 10 CYS QB 2.585 . 3.370 3.020 2.802 3.169 . 0 0 "[ . 1 . 2]" 1
92 1 10 CYS H 1 10 CYS HB3 2.920 . 4.040 3.181 2.913 3.376 . 0 0 "[ . 1 . 2]" 1
93 1 10 CYS H 1 26 GLY O 1.900 . 2.000 1.916 1.786 2.025 0.025 1 0 "[ . 1 . 2]" 1
94 1 10 CYS H 1 27 TYR HA 2.610 . 3.420 2.867 2.523 3.369 . 0 0 "[ . 1 . 2]" 1
95 1 10 CYS HA 1 10 CYS QB 2.190 . 2.580 2.170 2.162 2.182 . 0 0 "[ . 1 . 2]" 1
96 1 10 CYS HA 1 11 ARG H 2.300 . 2.800 2.229 2.151 2.305 . 0 0 "[ . 1 . 2]" 1
97 1 10 CYS HA 1 12 ARG H 2.900 . 4.000 3.759 3.492 4.003 0.003 5 0 "[ . 1 . 2]" 1
98 1 10 CYS QB 1 11 ARG H 2.530 . 3.260 2.725 2.516 2.936 . 0 0 "[ . 1 . 2]" 1
99 1 10 CYS QB 1 22 CYS QB 2.945 . 4.090 2.456 2.170 2.686 . 0 0 "[ . 1 . 2]" 1
100 1 10 CYS QB 1 28 CYS H 3.570 . 5.340 3.651 3.100 4.090 . 0 0 "[ . 1 . 2]" 1
101 1 10 CYS QB 1 28 CYS HA 3.570 . 5.340 3.451 2.921 4.135 . 0 0 "[ . 1 . 2]" 1
102 1 10 CYS N 1 26 GLY O 2.400 . 3.000 2.853 2.749 2.988 . 0 0 "[ . 1 . 2]" 1
103 1 11 ARG H 1 11 ARG HB2 2.795 . 3.790 2.538 2.445 2.649 . 0 0 "[ . 1 . 2]" 1
104 1 11 ARG H 1 11 ARG QB 2.445 . 3.090 2.496 2.409 2.599 . 0 0 "[ . 1 . 2]" 1
105 1 11 ARG H 1 11 ARG HB3 2.795 . 3.790 3.690 3.614 3.768 . 0 0 "[ . 1 . 2]" 1
106 1 11 ARG H 1 11 ARG QD 3.640 . 5.480 4.023 2.429 4.717 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG H 1 11 ARG QG 3.845 . 5.890 2.775 2.336 3.695 . 0 0 "[ . 1 . 2]" 1
108 1 11 ARG H 1 12 ARG H 2.210 . 2.620 1.821 1.763 1.935 0.037 18 0 "[ . 1 . 2]" 1
109 1 11 ARG HA 1 11 ARG QD 3.750 . 5.700 3.519 1.943 4.273 . 0 0 "[ . 1 . 2]" 1
110 1 11 ARG QB 1 11 ARG HE 3.275 . 4.750 2.750 1.785 4.106 0.015 1 0 "[ . 1 . 2]" 1
111 1 11 ARG QB 1 12 ARG H 2.650 . 3.500 2.462 2.063 2.727 . 0 0 "[ . 1 . 2]" 1
112 1 11 ARG HB2 1 11 ARG HE 3.650 . 5.500 3.367 1.796 4.877 0.004 1 0 "[ . 1 . 2]" 1
113 1 11 ARG HB2 1 12 ARG H 2.750 . 3.700 2.507 2.079 2.806 . 0 0 "[ . 1 . 2]" 1
114 1 11 ARG HB3 1 11 ARG HE 3.650 . 5.500 3.383 1.862 4.620 . 0 0 "[ . 1 . 2]" 1
115 1 11 ARG HB3 1 12 ARG H 2.750 . 3.700 3.643 3.440 3.753 0.053 18 0 "[ . 1 . 2]" 1
116 1 12 ARG H 1 12 ARG HB2 2.815 . 3.830 3.708 3.618 3.829 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG H 1 12 ARG QB 2.515 . 3.230 3.144 3.055 3.240 0.010 16 0 "[ . 1 . 2]" 1
118 1 12 ARG H 1 12 ARG HB3 2.815 . 3.830 3.399 3.254 3.525 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG H 1 12 ARG QD 3.515 . 5.230 3.916 2.000 4.326 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG H 1 12 ARG QG 2.755 . 3.710 2.223 1.946 2.910 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG H 1 15 ASP QB 3.100 . 4.400 3.283 2.922 3.915 . 0 0 "[ . 1 . 2]" 1
122 1 12 ARG H 1 15 ASP OD1 1.900 . 2.000 3.679 2.077 3.979 1.979 18 19 "[ **************-*+**]" 1
123 1 12 ARG H 1 22 CYS HB2 3.650 . 5.500 4.364 4.065 4.758 . 0 0 "[ . 1 . 2]" 1
124 1 12 ARG H 1 22 CYS HB3 3.650 . 5.500 5.362 5.063 5.523 0.023 14 0 "[ . 1 . 2]" 1
125 1 12 ARG HA 1 13 ASP H 2.240 . 2.680 2.289 2.228 2.392 . 0 0 "[ . 1 . 2]" 1
126 1 12 ARG HA 1 14 SER H 2.920 . 4.040 4.108 4.060 4.167 0.127 12 0 "[ . 1 . 2]" 1
127 1 12 ARG QB 1 12 ARG HE 3.100 . 4.400 2.661 1.861 3.961 . 0 0 "[ . 1 . 2]" 1
128 1 12 ARG QB 1 13 ASP H 2.275 . 2.750 2.387 2.222 2.545 . 0 0 "[ . 1 . 2]" 1
129 1 12 ARG QB 1 14 SER H 2.590 . 3.380 2.591 2.479 2.749 . 0 0 "[ . 1 . 2]" 1
130 1 12 ARG QB 1 15 ASP H 2.755 . 3.710 3.683 3.497 3.811 0.101 17 0 "[ . 1 . 2]" 1
131 1 12 ARG HB2 1 12 ARG HE 3.400 . 5.000 3.280 2.195 4.534 . 0 0 "[ . 1 . 2]" 1
132 1 12 ARG HB2 1 13 ASP H 2.505 . 3.210 2.425 2.245 2.602 . 0 0 "[ . 1 . 2]" 1
133 1 12 ARG HB2 1 15 ASP H 3.400 . 5.000 3.801 3.595 3.952 . 0 0 "[ . 1 . 2]" 1
134 1 12 ARG HB3 1 12 ARG HE 3.400 . 5.000 3.169 1.874 4.549 . 0 0 "[ . 1 . 2]" 1
135 1 12 ARG HB3 1 13 ASP H 2.650 . 3.500 3.578 3.427 3.658 0.158 20 0 "[ . 1 . 2]" 1
136 1 12 ARG HB3 1 15 ASP H 3.400 . 5.000 4.939 4.731 5.072 0.072 12 0 "[ . 1 . 2]" 1
137 1 12 ARG QD 1 14 SER QB 3.910 . 6.020 4.002 3.412 4.813 . 0 0 "[ . 1 . 2]" 1
138 1 12 ARG HE 1 14 SER H 3.650 . 5.500 4.677 2.946 5.591 0.091 13 0 "[ . 1 . 2]" 1
139 1 12 ARG QG 1 14 SER H 2.710 . 3.620 3.022 2.565 3.391 . 0 0 "[ . 1 . 2]" 1
140 1 12 ARG QG 1 15 ASP H 2.955 . 4.110 2.417 2.049 2.761 . 0 0 "[ . 1 . 2]" 1
141 1 12 ARG HG2 1 13 ASP H 3.650 . 5.500 4.701 3.829 4.926 . 0 0 "[ . 1 . 2]" 1
142 1 12 ARG HG3 1 13 ASP H 3.650 . 5.500 4.091 3.803 4.408 . 0 0 "[ . 1 . 2]" 1
143 1 12 ARG N 1 15 ASP OD1 2.400 . 3.000 4.614 3.046 4.961 1.961 18 19 "[ **************-*+**]" 1
144 1 12 ARG O 1 15 ASP H 1.900 . 2.000 2.056 2.025 2.097 0.097 6 0 "[ . 1 . 2]" 1
145 1 12 ARG O 1 15 ASP N 2.400 . 3.000 2.940 2.889 3.006 0.006 6 0 "[ . 1 . 2]" 1
146 1 13 ASP H 1 13 ASP HB2 2.565 . 3.330 2.281 2.184 2.404 . 0 0 "[ . 1 . 2]" 1
147 1 13 ASP H 1 13 ASP QB 2.245 . 2.690 2.251 2.162 2.364 . 0 0 "[ . 1 . 2]" 1
148 1 13 ASP H 1 13 ASP HB3 2.565 . 3.330 3.473 3.447 3.508 0.178 4 0 "[ . 1 . 2]" 1
149 1 13 ASP H 1 14 SER H 2.505 . 3.210 2.521 2.429 2.615 . 0 0 "[ . 1 . 2]" 1
150 1 13 ASP H 1 15 ASP H 3.110 . 4.420 4.073 3.959 4.204 . 0 0 "[ . 1 . 2]" 1
151 1 13 ASP HA 1 21 ILE HA 2.780 . 3.760 3.235 2.752 3.633 . 0 0 "[ . 1 . 2]" 1
152 1 13 ASP HA 1 22 CYS H 2.650 . 3.500 2.563 2.294 2.833 . 0 0 "[ . 1 . 2]" 1
153 1 13 ASP HA 1 22 CYS HB2 2.860 . 3.920 2.167 1.968 2.627 . 0 0 "[ . 1 . 2]" 1
154 1 13 ASP HA 1 22 CYS QB 2.600 . 3.400 2.115 1.917 2.545 . 0 0 "[ . 1 . 2]" 1
155 1 13 ASP HA 1 22 CYS HB3 2.860 . 3.920 2.980 2.574 3.405 . 0 0 "[ . 1 . 2]" 1
156 1 13 ASP QB 1 14 SER H 2.345 . 2.890 2.622 2.399 2.786 . 0 0 "[ . 1 . 2]" 1
157 1 13 ASP QB 1 21 ILE HB 3.325 . 4.850 3.646 3.100 3.864 . 0 0 "[ . 1 . 2]" 1
158 1 13 ASP QB 1 21 ILE MG 3.555 . 5.310 3.196 2.684 3.696 . 0 0 "[ . 1 . 2]" 1
159 1 13 ASP QB 1 22 CYS QB 3.370 . 4.940 3.674 3.517 3.916 . 0 0 "[ . 1 . 2]" 1
160 1 13 ASP HB2 1 14 SER H 2.640 . 3.480 2.704 2.443 2.916 . 0 0 "[ . 1 . 2]" 1
161 1 13 ASP HB2 1 21 ILE MD 4.160 . 6.520 6.429 6.060 6.558 0.038 14 0 "[ . 1 . 2]" 1
162 1 13 ASP HB3 1 14 SER H 2.640 . 3.480 3.549 3.487 3.585 0.105 17 0 "[ . 1 . 2]" 1
163 1 13 ASP HB3 1 21 ILE MD 4.160 . 6.520 5.448 4.952 5.632 . 0 0 "[ . 1 . 2]" 1
164 1 13 ASP O 1 16 CYS H 1.900 . 2.000 2.050 2.018 2.096 0.096 18 0 "[ . 1 . 2]" 1
165 1 13 ASP O 1 16 CYS N 2.400 . 3.000 2.967 2.903 3.019 0.019 1 0 "[ . 1 . 2]" 1
166 1 13 ASP OD1 1 22 CYS H 1.900 . 2.000 2.285 1.740 3.632 1.632 15 6 "[ * . * 1 + * -*]" 1
167 1 13 ASP OD1 1 22 CYS N 2.400 . 3.000 3.231 2.724 4.492 1.492 15 6 "[ * . * 1 + * -*]" 1
168 1 14 SER H 1 14 SER HA 2.365 . 2.930 2.810 2.776 2.837 . 0 0 "[ . 1 . 2]" 1
169 1 14 SER H 1 14 SER HB2 2.650 . 3.500 3.492 3.408 3.562 0.062 1 0 "[ . 1 . 2]" 1
170 1 14 SER H 1 14 SER QB 2.255 . 2.710 2.633 2.562 2.698 . 0 0 "[ . 1 . 2]" 1
171 1 14 SER H 1 14 SER HB3 2.650 . 3.500 2.724 2.648 2.801 . 0 0 "[ . 1 . 2]" 1
172 1 14 SER H 1 15 ASP H 2.505 . 3.210 2.622 2.551 2.752 . 0 0 "[ . 1 . 2]" 1
173 1 14 SER HA 1 15 ASP H 2.900 . 4.000 3.388 3.256 3.495 . 0 0 "[ . 1 . 2]" 1
174 1 14 SER QB 1 15 ASP H 2.650 . 3.500 3.590 3.534 3.642 0.142 11 0 "[ . 1 . 2]" 1
175 1 14 SER HB2 1 15 ASP H 3.015 . 4.230 3.861 3.794 3.934 . 0 0 "[ . 1 . 2]" 1
176 1 14 SER HB3 1 15 ASP H 3.015 . 4.230 4.271 4.205 4.314 0.084 6 0 "[ . 1 . 2]" 1
177 1 15 ASP H 1 15 ASP QB 2.850 . 3.900 2.613 2.346 3.035 . 0 0 "[ . 1 . 2]" 1
178 1 15 ASP H 1 16 CYS H 2.315 . 2.830 2.484 2.348 2.694 . 0 0 "[ . 1 . 2]" 1
179 1 15 ASP QB 1 16 CYS H 3.190 . 4.580 3.275 2.693 4.004 . 0 0 "[ . 1 . 2]" 1
180 1 16 CYS H 1 16 CYS HB2 2.650 . 3.500 2.400 2.297 2.537 . 0 0 "[ . 1 . 2]" 1
181 1 16 CYS H 1 16 CYS QB 2.400 . 3.000 2.364 2.270 2.492 . 0 0 "[ . 1 . 2]" 1
182 1 16 CYS H 1 16 CYS HB3 2.650 . 3.500 3.551 3.518 3.653 0.153 18 0 "[ . 1 . 2]" 1
183 1 16 CYS H 1 17 PRO QD 3.575 . 5.350 4.201 3.683 4.371 . 0 0 "[ . 1 . 2]" 1
184 1 16 CYS HA 1 17 PRO HD2 2.595 . 3.390 2.338 2.145 2.771 . 0 0 "[ . 1 . 2]" 1
185 1 16 CYS HA 1 17 PRO QD 2.350 . 2.900 1.978 1.920 2.042 . 0 0 "[ . 1 . 2]" 1
186 1 16 CYS HA 1 17 PRO HD3 2.595 . 3.390 2.173 1.959 2.515 . 0 0 "[ . 1 . 2]" 1
187 1 16 CYS QB 1 17 PRO QD 2.780 . 3.760 2.902 2.321 3.429 . 0 0 "[ . 1 . 2]" 1
188 1 16 CYS QB 1 20 CYS QB 2.695 . 3.590 2.103 1.841 2.559 . 0 0 "[ . 1 . 2]" 1
189 1 16 CYS QB 1 21 ILE HA 3.005 . 4.210 3.011 2.292 4.239 0.029 18 0 "[ . 1 . 2]" 1
190 1 16 CYS QB 1 29 GLY H 3.570 . 5.340 4.051 3.506 4.791 . 0 0 "[ . 1 . 2]" 1
191 1 16 CYS HB2 1 17 PRO HD2 3.590 . 5.380 4.366 3.855 4.811 . 0 0 "[ . 1 . 2]" 1
192 1 16 CYS HB2 1 17 PRO HD3 3.590 . 5.380 4.863 4.641 5.069 . 0 0 "[ . 1 . 2]" 1
193 1 16 CYS HB3 1 17 PRO HD2 3.590 . 5.380 3.079 2.363 3.788 . 0 0 "[ . 1 . 2]" 1
194 1 16 CYS HB3 1 17 PRO HD3 3.590 . 5.380 4.051 3.669 4.468 . 0 0 "[ . 1 . 2]" 1
195 1 17 PRO HA 1 18 GLY H 2.240 . 2.680 2.403 2.088 2.669 . 0 0 "[ . 1 . 2]" 1
196 1 17 PRO QB 1 18 GLY H 2.650 . 3.500 2.466 1.901 3.407 . 0 0 "[ . 1 . 2]" 1
197 1 17 PRO QD 1 28 CYS QB 3.985 . 6.170 3.384 2.393 5.743 . 0 0 "[ . 1 . 2]" 1
198 1 17 PRO O 1 20 CYS H 1.900 . 2.000 2.031 1.992 2.079 0.079 20 0 "[ . 1 . 2]" 1
199 1 17 PRO O 1 20 CYS N 2.400 . 3.000 2.968 2.911 3.017 0.017 20 0 "[ . 1 . 2]" 1
200 1 18 GLY QA 1 19 ALA MB 4.600 . 7.400 3.646 3.533 3.727 . 0 0 "[ . 1 . 2]" 1
201 1 18 GLY QA 1 20 CYS H 3.390 . 4.980 3.299 3.014 3.652 . 0 0 "[ . 1 . 2]" 1
202 1 19 ALA H 1 20 CYS H 2.520 . 3.240 2.257 1.916 2.583 . 0 0 "[ . 1 . 2]" 1
203 1 19 ALA H 1 20 CYS QB 3.120 . 4.440 4.222 3.630 4.467 0.027 9 0 "[ . 1 . 2]" 1
204 1 19 ALA HA 1 20 CYS H 2.900 . 4.000 3.163 2.991 3.419 . 0 0 "[ . 1 . 2]" 1
205 1 20 CYS H 1 20 CYS HB2 2.650 . 3.500 2.409 2.331 2.491 . 0 0 "[ . 1 . 2]" 1
206 1 20 CYS H 1 20 CYS QB 2.275 . 2.750 2.372 2.301 2.445 . 0 0 "[ . 1 . 2]" 1
207 1 20 CYS H 1 20 CYS HB3 2.650 . 3.500 3.545 3.526 3.569 0.069 11 0 "[ . 1 . 2]" 1
208 1 20 CYS HA 1 21 ILE H 2.315 . 2.830 2.191 2.001 2.297 . 0 0 "[ . 1 . 2]" 1
209 1 20 CYS HA 1 21 ILE MG 4.130 . 6.460 3.629 3.269 3.877 . 0 0 "[ . 1 . 2]" 1
210 1 20 CYS HA 1 29 GLY H 3.125 . 4.450 4.164 3.461 4.491 0.041 15 0 "[ . 1 . 2]" 1
211 1 20 CYS HA 1 31 ALA H 3.015 . 4.230 3.886 3.198 4.289 0.059 2 0 "[ . 1 . 2]" 1
212 1 20 CYS QB 1 21 ILE H 2.435 . 3.070 2.680 2.525 2.944 . 0 0 "[ . 1 . 2]" 1
213 1 20 CYS QB 1 28 CYS HA 3.570 . 5.340 3.759 3.401 4.423 . 0 0 "[ . 1 . 2]" 1
214 1 20 CYS QB 1 29 GLY H 2.915 . 4.030 2.904 2.381 3.712 . 0 0 "[ . 1 . 2]" 1
215 1 20 CYS HB2 1 21 ILE H 2.795 . 3.790 3.815 3.705 3.888 0.098 11 0 "[ . 1 . 2]" 1
216 1 20 CYS HB3 1 21 ILE H 2.795 . 3.790 2.739 2.570 3.053 . 0 0 "[ . 1 . 2]" 1
217 1 21 ILE H 1 21 ILE HB 2.860 . 3.920 3.762 3.707 3.839 . 0 0 "[ . 1 . 2]" 1
218 1 21 ILE H 1 21 ILE MD 3.775 . 5.750 3.804 2.781 4.007 . 0 0 "[ . 1 . 2]" 1
219 1 21 ILE H 1 21 ILE HG12 2.890 . 3.980 2.300 2.115 3.828 . 0 0 "[ . 1 . 2]" 1
220 1 21 ILE H 1 21 ILE QG 2.645 . 3.490 2.159 2.060 2.325 . 0 0 "[ . 1 . 2]" 1
221 1 21 ILE H 1 21 ILE HG13 2.890 . 3.980 2.900 2.227 3.079 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE H 1 21 ILE MG 3.510 . 5.220 2.923 2.649 3.226 . 0 0 "[ . 1 . 2]" 1
223 1 21 ILE H 1 28 CYS HA 3.185 . 4.570 4.355 4.013 4.594 0.024 19 0 "[ . 1 . 2]" 1
224 1 21 ILE H 1 29 GLY H 2.565 . 3.330 2.864 2.513 3.242 . 0 0 "[ . 1 . 2]" 1
225 1 21 ILE H 1 29 GLY O 1.900 . 2.000 1.821 1.758 1.988 0.042 9 0 "[ . 1 . 2]" 1
226 1 21 ILE HA 1 21 ILE MD 3.620 . 5.440 4.186 3.702 4.233 . 0 0 "[ . 1 . 2]" 1
227 1 21 ILE HA 1 21 ILE MG 2.905 . 4.010 2.361 2.304 2.419 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE HA 1 22 CYS H 2.335 . 2.870 2.538 2.376 2.658 . 0 0 "[ . 1 . 2]" 1
229 1 21 ILE HB 1 22 CYS H 2.300 . 2.800 2.133 2.023 2.229 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE MD 1 22 CYS H 3.880 . 5.960 3.886 3.085 4.097 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE MD 1 23 ARG H 4.160 . 6.520 5.129 3.264 5.717 . 0 0 "[ . 1 . 2]" 1
232 1 21 ILE MD 1 23 ARG HA 3.820 . 5.840 3.993 2.858 4.564 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE MD 1 23 ARG QD 4.370 . 6.940 3.731 2.263 5.379 . 0 0 "[ . 1 . 2]" 1
234 1 21 ILE MD 1 23 ARG HE 4.160 . 6.520 4.723 2.444 6.534 0.014 16 0 "[ . 1 . 2]" 1
235 1 21 ILE MD 1 23 ARG QG 4.030 . 6.260 3.687 2.292 4.618 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE MD 1 31 ALA H 4.160 . 6.520 4.336 3.700 5.620 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE MD 1 31 ALA HA 3.245 . 4.690 2.583 1.943 4.197 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE QG 1 22 CYS H 3.570 . 5.340 3.314 3.113 4.031 . 0 0 "[ . 1 . 2]" 1
239 1 21 ILE QG 1 31 ALA H 3.570 . 5.340 3.864 3.468 4.701 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE QG 1 31 ALA HA 3.145 . 4.490 2.968 2.135 4.061 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE HG12 1 23 ARG QD 4.090 . 6.380 4.355 2.763 6.282 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE HG12 1 31 ALA HA 3.555 . 5.310 3.070 2.152 4.246 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE HG13 1 23 ARG QD 4.090 . 6.380 3.690 2.059 5.604 . 0 0 "[ . 1 . 2]" 1
244 1 21 ILE HG13 1 31 ALA HA 3.555 . 5.310 4.153 3.539 5.168 . 0 0 "[ . 1 . 2]" 1
245 1 21 ILE MG 1 22 CYS H 3.510 . 5.220 3.562 3.432 3.701 . 0 0 "[ . 1 . 2]" 1
246 1 21 ILE MG 1 23 ARG QD 4.600 . 7.400 5.665 4.292 7.119 . 0 0 "[ . 1 . 2]" 1
247 1 21 ILE MG 1 31 ALA H 4.160 . 6.520 4.273 3.718 5.485 . 0 0 "[ . 1 . 2]" 1
248 1 21 ILE MG 1 31 ALA HA 3.820 . 5.840 3.932 2.040 5.472 . 0 0 "[ . 1 . 2]" 1
249 1 21 ILE MG 1 31 ALA MB 4.530 . 7.260 2.970 2.025 4.338 . 0 0 "[ . 1 . 2]" 1
250 1 21 ILE N 1 29 GLY O 2.400 . 3.000 2.778 2.715 2.908 . 0 0 "[ . 1 . 2]" 1
251 1 21 ILE O 1 29 GLY H 1.900 . 2.000 1.961 1.802 2.044 0.044 18 0 "[ . 1 . 2]" 1
252 1 21 ILE O 1 29 GLY N 2.400 . 3.000 2.902 2.754 2.992 . 0 0 "[ . 1 . 2]" 1
253 1 22 CYS H 1 22 CYS HB2 2.505 . 3.210 2.764 2.617 2.898 . 0 0 "[ . 1 . 2]" 1
254 1 22 CYS H 1 22 CYS HB3 2.505 . 3.210 2.497 2.423 2.643 . 0 0 "[ . 1 . 2]" 1
255 1 22 CYS HA 1 23 ARG H 2.240 . 2.680 2.174 2.127 2.215 . 0 0 "[ . 1 . 2]" 1
256 1 22 CYS HA 1 28 CYS HA 2.440 . 3.080 2.573 2.272 2.776 . 0 0 "[ . 1 . 2]" 1
257 1 22 CYS HA 1 29 GLY H 2.830 . 3.860 3.701 3.396 3.884 0.024 19 0 "[ . 1 . 2]" 1
258 1 23 ARG H 1 23 ARG HB2 2.650 . 3.500 2.432 2.244 2.609 . 0 0 "[ . 1 . 2]" 1
259 1 23 ARG H 1 23 ARG QB 2.255 . 2.710 2.392 2.218 2.548 . 0 0 "[ . 1 . 2]" 1
260 1 23 ARG H 1 23 ARG HB3 2.650 . 3.500 3.541 3.476 3.575 0.075 16 0 "[ . 1 . 2]" 1
261 1 23 ARG H 1 23 ARG QD 4.090 . 6.380 3.835 3.372 4.335 . 0 0 "[ . 1 . 2]" 1
262 1 23 ARG H 1 23 ARG HG2 2.625 . 3.450 2.857 2.083 3.503 0.053 3 0 "[ . 1 . 2]" 1
263 1 23 ARG H 1 23 ARG QG 2.385 . 2.970 2.261 2.068 2.504 . 0 0 "[ . 1 . 2]" 1
264 1 23 ARG H 1 23 ARG HG3 2.625 . 3.450 2.910 2.174 3.570 0.120 9 0 "[ . 1 . 2]" 1
265 1 23 ARG H 1 24 GLY H 3.200 . 4.600 4.494 4.455 4.542 . 0 0 "[ . 1 . 2]" 1
266 1 23 ARG H 1 27 TYR H 2.920 . 4.040 3.522 3.257 3.726 . 0 0 "[ . 1 . 2]" 1
267 1 23 ARG H 1 27 TYR O 1.900 . 2.000 1.934 1.787 2.017 0.017 13 0 "[ . 1 . 2]" 1
268 1 23 ARG H 1 28 CYS HA 2.640 . 3.480 3.139 2.884 3.480 0.000 20 0 "[ . 1 . 2]" 1
269 1 23 ARG H 1 29 GLY H 3.140 . 4.480 3.688 3.174 4.433 . 0 0 "[ . 1 . 2]" 1
270 1 23 ARG HA 1 23 ARG QD 3.670 . 5.540 3.255 2.136 4.258 . 0 0 "[ . 1 . 2]" 1
271 1 23 ARG HA 1 23 ARG HG2 2.860 . 3.920 2.771 2.500 3.140 . 0 0 "[ . 1 . 2]" 1
272 1 23 ARG HA 1 23 ARG QG 2.575 . 3.350 2.665 2.378 3.006 . 0 0 "[ . 1 . 2]" 1
273 1 23 ARG HA 1 23 ARG HG3 2.860 . 3.920 3.475 2.977 3.852 . 0 0 "[ . 1 . 2]" 1
274 1 23 ARG HA 1 24 GLY H 2.315 . 2.830 2.423 2.321 2.494 . 0 0 "[ . 1 . 2]" 1
275 1 23 ARG QB 1 23 ARG HE 3.230 . 4.660 2.575 1.802 4.072 . 0 0 "[ . 1 . 2]" 1
276 1 23 ARG QB 1 24 GLY H 2.275 . 2.750 2.294 2.149 2.500 . 0 0 "[ . 1 . 2]" 1
277 1 23 ARG QB 1 25 ASN H 2.445 . 3.090 2.542 2.293 2.718 . 0 0 "[ . 1 . 2]" 1
278 1 23 ARG QB 1 27 TYR H 2.675 . 3.550 3.020 2.720 3.264 . 0 0 "[ . 1 . 2]" 1
279 1 23 ARG HB2 1 23 ARG HE 3.605 . 5.410 3.539 1.973 4.728 . 0 0 "[ . 1 . 2]" 1
280 1 23 ARG HB2 1 24 GLY H 2.610 . 3.420 3.432 3.265 3.475 0.055 9 0 "[ . 1 . 2]" 1
281 1 23 ARG HB2 1 25 ASN H 2.675 . 3.550 2.818 2.495 3.015 . 0 0 "[ . 1 . 2]" 1
282 1 23 ARG HB2 1 26 GLY H 3.125 . 4.450 3.408 3.055 3.653 . 0 0 "[ . 1 . 2]" 1
283 1 23 ARG HB3 1 23 ARG HE 3.605 . 5.410 2.825 1.816 4.549 . 0 0 "[ . 1 . 2]" 1
284 1 23 ARG HB3 1 24 GLY H 2.610 . 3.420 2.331 2.172 2.564 . 0 0 "[ . 1 . 2]" 1
285 1 23 ARG HB3 1 25 ASN H 2.675 . 3.550 2.912 2.651 3.163 . 0 0 "[ . 1 . 2]" 1
286 1 23 ARG HB3 1 26 GLY H 3.125 . 4.450 4.368 4.087 4.471 0.021 16 0 "[ . 1 . 2]" 1
287 1 23 ARG QD 1 24 GLY H 4.090 . 6.380 4.251 3.134 5.082 . 0 0 "[ . 1 . 2]" 1
288 1 23 ARG QD 1 30 GLU H 4.090 . 6.380 4.523 3.889 5.977 . 0 0 "[ . 1 . 2]" 1
289 1 23 ARG QG 1 29 GLY H 3.245 . 4.690 2.723 2.135 3.393 . 0 0 "[ . 1 . 2]" 1
290 1 23 ARG HG2 1 24 GLY H 3.650 . 5.500 4.435 3.881 4.893 . 0 0 "[ . 1 . 2]" 1
291 1 23 ARG HG2 1 29 GLY H 3.635 . 5.470 3.445 2.204 4.671 . 0 0 "[ . 1 . 2]" 1
292 1 23 ARG HG3 1 24 GLY H 3.650 . 5.500 4.820 4.625 4.989 . 0 0 "[ . 1 . 2]" 1
293 1 23 ARG HG3 1 29 GLY H 3.635 . 5.470 3.260 2.470 3.915 . 0 0 "[ . 1 . 2]" 1
294 1 23 ARG N 1 27 TYR O 2.400 . 3.000 2.884 2.746 2.958 . 0 0 "[ . 1 . 2]" 1
295 1 23 ARG O 1 26 GLY H 1.900 . 2.000 2.031 2.004 2.079 0.079 18 0 "[ . 1 . 2]" 1
296 1 23 ARG O 1 26 GLY N 2.400 . 3.000 2.935 2.884 2.994 . 0 0 "[ . 1 . 2]" 1
297 1 24 GLY H 1 25 ASN H 2.595 . 3.390 2.660 2.511 2.752 . 0 0 "[ . 1 . 2]" 1
298 1 25 ASN H 1 25 ASN HB2 2.735 . 3.670 3.653 3.632 3.674 0.004 18 0 "[ . 1 . 2]" 1
299 1 25 ASN H 1 25 ASN QB 2.435 . 3.070 2.715 2.601 2.909 . 0 0 "[ . 1 . 2]" 1
300 1 25 ASN H 1 25 ASN HB3 2.735 . 3.670 2.804 2.660 3.052 . 0 0 "[ . 1 . 2]" 1
301 1 25 ASN H 1 26 GLY H 2.440 . 3.080 2.225 2.123 2.350 . 0 0 "[ . 1 . 2]" 1
302 1 25 ASN H 1 26 GLY QA 3.135 . 4.470 4.211 4.128 4.316 . 0 0 "[ . 1 . 2]" 1
303 1 25 ASN H 1 27 TYR H 3.000 . 4.200 3.437 3.278 3.561 . 0 0 "[ . 1 . 2]" 1
304 1 25 ASN QB 1 25 ASN QD 2.410 . 3.020 2.145 2.095 2.182 . 0 0 "[ . 1 . 2]" 1
305 1 25 ASN QB 1 27 TYR QD 4.555 . 7.310 2.736 2.220 3.270 . 0 0 "[ . 1 . 2]" 1
306 1 25 ASN QB 1 27 TYR QE 4.560 . 7.320 3.839 3.032 4.551 . 0 0 "[ . 1 . 2]" 1
307 1 25 ASN QD 1 27 TYR QB 3.215 . 4.630 2.272 1.792 3.191 0.008 16 0 "[ . 1 . 2]" 1
308 1 25 ASN QD 1 27 TYR QD 4.555 . 7.310 2.869 2.093 3.766 . 0 0 "[ . 1 . 2]" 1
309 1 25 ASN OD1 1 27 TYR H 1.900 . 2.000 2.012 1.848 2.073 0.073 2 0 "[ . 1 . 2]" 1
310 1 25 ASN OD1 1 27 TYR N 2.400 . 3.000 2.902 2.762 2.959 . 0 0 "[ . 1 . 2]" 1
311 1 26 GLY H 1 26 GLY QA 2.180 . 2.560 2.289 2.257 2.339 . 0 0 "[ . 1 . 2]" 1
312 1 26 GLY H 1 27 TYR H 2.395 . 2.990 2.034 1.974 2.074 . 0 0 "[ . 1 . 2]" 1
313 1 26 GLY H 1 27 TYR QB 2.855 . 3.910 4.016 3.993 4.040 0.130 18 0 "[ . 1 . 2]" 1
314 1 26 GLY H 1 27 TYR QD 4.715 . 7.630 4.120 3.704 4.384 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLY QA 1 27 TYR QD 4.555 . 7.310 3.873 3.195 4.296 . 0 0 "[ . 1 . 2]" 1
316 1 27 TYR H 1 27 TYR HB2 2.690 . 3.580 2.332 2.260 2.392 . 0 0 "[ . 1 . 2]" 1
317 1 27 TYR H 1 27 TYR QB 2.365 . 2.930 2.304 2.237 2.360 . 0 0 "[ . 1 . 2]" 1
318 1 27 TYR H 1 27 TYR HB3 2.690 . 3.580 3.598 3.571 3.629 0.049 13 0 "[ . 1 . 2]" 1
319 1 27 TYR H 1 27 TYR QD 4.605 . 7.410 3.097 2.692 3.328 . 0 0 "[ . 1 . 2]" 1
320 1 27 TYR H 1 28 CYS H 3.125 . 4.450 4.337 4.281 4.389 . 0 0 "[ . 1 . 2]" 1
321 1 27 TYR HA 1 27 TYR QD 4.220 . 6.640 2.774 2.460 3.151 . 0 0 "[ . 1 . 2]" 1
322 1 27 TYR HA 1 28 CYS H 2.400 . 3.000 2.239 2.137 2.321 . 0 0 "[ . 1 . 2]" 1
323 1 27 TYR QB 1 28 CYS H 2.365 . 2.930 2.643 2.473 2.836 . 0 0 "[ . 1 . 2]" 1
324 1 27 TYR HB2 1 28 CYS H 2.900 . 4.000 3.855 3.701 3.955 . 0 0 "[ . 1 . 2]" 1
325 1 27 TYR HB3 1 28 CYS H 2.900 . 4.000 2.692 2.510 2.906 . 0 0 "[ . 1 . 2]" 1
326 1 27 TYR QD 1 28 CYS H 4.715 . 7.630 3.538 3.156 4.034 . 0 0 "[ . 1 . 2]" 1
327 1 28 CYS H 1 29 GLY H 3.185 . 4.570 4.496 4.269 4.612 0.042 16 0 "[ . 1 . 2]" 1
328 1 28 CYS HA 1 29 GLY H 2.255 . 2.710 2.170 2.091 2.397 . 0 0 "[ . 1 . 2]" 1
329 1 28 CYS HA 1 29 GLY QA 3.045 . 4.290 3.883 3.843 3.982 . 0 0 "[ . 1 . 2]" 1
330 1 28 CYS QB 1 29 GLY H 3.255 . 4.710 3.025 2.417 3.541 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLY H 1 30 GLU H 3.125 . 4.450 4.300 4.125 4.453 0.003 20 0 "[ . 1 . 2]" 1
332 1 29 GLY QA 1 30 GLU H 2.050 . 2.300 2.217 2.097 2.302 0.002 16 0 "[ . 1 . 2]" 1
333 1 30 GLU H 1 30 GLU HA 2.255 . 2.710 2.773 2.724 2.812 0.102 20 0 "[ . 1 . 2]" 1
334 1 30 GLU H 1 30 GLU HB2 2.425 . 3.050 2.504 2.154 2.669 . 0 0 "[ . 1 . 2]" 1
335 1 30 GLU H 1 30 GLU QB 2.215 . 2.630 2.172 2.035 2.234 . 0 0 "[ . 1 . 2]" 1
336 1 30 GLU H 1 30 GLU HB3 2.425 . 3.050 2.399 2.191 2.561 . 0 0 "[ . 1 . 2]" 1
337 1 30 GLU H 1 30 GLU QG 3.425 . 5.050 3.947 3.830 4.016 . 0 0 "[ . 1 . 2]" 1
338 1 30 GLU H 1 38 ALA MB 4.160 . 6.520 6.132 4.409 6.662 0.142 11 0 "[ . 1 . 2]" 1
339 1 30 GLU HA 1 31 ALA H 2.650 . 3.500 2.330 1.961 2.684 . 0 0 "[ . 1 . 2]" 1
340 1 30 GLU HB2 1 31 ALA H 2.750 . 3.700 3.774 3.740 3.816 0.116 15 0 "[ . 1 . 2]" 1
341 1 30 GLU HB3 1 31 ALA H 2.750 . 3.700 3.660 3.086 3.834 0.134 11 0 "[ . 1 . 2]" 1
342 1 30 GLU QG 1 31 ALA H 3.985 . 6.170 2.233 1.771 2.695 0.029 7 0 "[ . 1 . 2]" 1
343 1 31 ALA H 1 31 ALA MB 2.905 . 4.010 2.282 2.197 2.398 . 0 0 "[ . 1 . 2]" 1
344 1 31 ALA H 1 32 ILE H 2.860 . 3.920 2.788 2.279 4.053 0.133 6 0 "[ . 1 . 2]" 1
345 1 31 ALA H 1 32 ILE HA 3.400 . 5.000 5.028 4.826 5.107 0.107 7 0 "[ . 1 . 2]" 1
346 1 31 ALA HA 1 32 ILE H 2.650 . 3.500 3.360 2.715 3.539 0.039 7 0 "[ . 1 . 2]" 1
347 1 32 ILE H 1 32 ILE HB 2.410 . 3.020 2.668 2.519 2.894 . 0 0 "[ . 1 . 2]" 1
348 1 32 ILE H 1 32 ILE MD 3.880 . 5.960 3.851 3.187 4.355 . 0 0 "[ . 1 . 2]" 1
349 1 32 ILE H 1 32 ILE HG12 2.985 . 4.170 3.461 2.154 4.117 . 0 0 "[ . 1 . 2]" 1
350 1 32 ILE H 1 32 ILE QG 2.590 . 3.380 2.575 1.990 3.014 . 0 0 "[ . 1 . 2]" 1
351 1 32 ILE H 1 32 ILE HG13 2.985 . 4.170 2.973 2.009 4.103 . 0 0 "[ . 1 . 2]" 1
352 1 32 ILE H 1 32 ILE MG 3.510 . 5.220 3.860 3.763 3.992 . 0 0 "[ . 1 . 2]" 1
353 1 32 ILE HA 1 32 ILE MD 3.620 . 5.440 3.475 2.060 3.991 . 0 0 "[ . 1 . 2]" 1
354 1 32 ILE HA 1 33 TYR H 2.470 . 3.140 2.320 2.030 3.392 0.252 20 0 "[ . 1 . 2]" 1
355 1 32 ILE HB 1 33 TYR H 2.780 . 3.760 3.699 1.935 4.016 0.256 4 0 "[ . 1 . 2]" 1
356 1 32 ILE MG 1 33 TYR H 3.785 . 5.770 2.534 2.203 3.319 . 0 0 "[ . 1 . 2]" 1
357 1 32 ILE MG 1 33 TYR QD 5.225 . 8.650 4.479 3.008 5.271 . 0 0 "[ . 1 . 2]" 1
358 1 33 TYR H 1 33 TYR HB2 2.660 . 3.520 2.712 2.345 3.628 0.108 19 0 "[ . 1 . 2]" 1
359 1 33 TYR H 1 33 TYR HB3 2.660 . 3.520 3.351 2.596 3.700 0.180 4 0 "[ . 1 . 2]" 1
360 1 33 TYR H 1 33 TYR QD 4.715 . 7.630 3.311 2.325 4.620 . 0 0 "[ . 1 . 2]" 1
361 1 33 TYR H 1 34 ALA MB 3.540 . 5.280 4.412 3.462 5.250 . 0 0 "[ . 1 . 2]" 1
362 1 33 TYR HA 1 33 TYR QD 4.095 . 6.390 2.810 2.408 3.753 . 0 0 "[ . 1 . 2]" 1
363 1 33 TYR HA 1 34 ALA H 2.650 . 3.500 2.854 2.064 3.539 0.039 2 0 "[ . 1 . 2]" 1
364 1 33 TYR QD 1 34 ALA MB 5.145 . 8.490 4.808 2.599 5.768 . 0 0 "[ . 1 . 2]" 1
365 1 34 ALA H 1 34 ALA MB 2.825 . 3.850 2.441 2.238 2.975 . 0 0 "[ . 1 . 2]" 1
366 1 34 ALA HA 1 35 ALA H 2.650 . 3.500 2.890 2.166 3.536 0.036 7 0 "[ . 1 . 2]" 1
367 1 35 ALA H 1 35 ALA MB 2.905 . 4.010 2.237 2.150 2.449 . 0 0 "[ . 1 . 2]" 1
368 1 35 ALA HA 1 36 PRO HD2 2.765 . 3.730 2.673 2.208 3.839 0.109 7 0 "[ . 1 . 2]" 1
369 1 35 ALA HA 1 36 PRO QD 2.485 . 3.170 2.075 1.891 3.384 0.214 7 0 "[ . 1 . 2]" 1
370 1 35 ALA HA 1 36 PRO HD3 2.765 . 3.730 2.202 1.912 3.761 0.031 7 0 "[ . 1 . 2]" 1
371 1 35 ALA MB 1 36 PRO HD2 3.510 . 5.220 2.870 1.923 3.649 . 0 0 "[ . 1 . 2]" 1
372 1 35 ALA MB 1 36 PRO QD 3.075 . 4.350 2.666 1.819 3.272 . 0 0 "[ . 1 . 2]" 1
373 1 35 ALA MB 1 36 PRO HD3 3.510 . 5.220 3.358 1.835 3.876 . 0 0 "[ . 1 . 2]" 1
374 1 35 ALA MB 1 37 PHE QE 5.225 . 8.650 7.103 6.196 8.154 . 0 0 "[ . 1 . 2]" 1
375 1 36 PRO HA 1 37 PHE H 2.650 . 3.500 2.740 2.039 3.561 0.061 2 0 "[ . 1 . 2]" 1
376 1 36 PRO QB 1 37 PHE H 2.660 . 3.520 2.974 2.120 3.648 0.128 20 0 "[ . 1 . 2]" 1
377 1 36 PRO QB 1 37 PHE QD 4.555 . 7.310 5.558 4.937 6.201 . 0 0 "[ . 1 . 2]" 1
378 1 36 PRO HB2 1 37 PHE H 2.955 . 4.110 3.242 2.143 4.077 . 0 0 "[ . 1 . 2]" 1
379 1 36 PRO HB3 1 37 PHE H 2.955 . 4.110 3.800 2.985 4.139 0.029 10 0 "[ . 1 . 2]" 1
380 1 36 PRO QD 1 37 PHE H 3.365 . 4.930 3.996 2.305 4.954 0.024 19 0 "[ . 1 . 2]" 1
381 1 36 PRO QG 1 37 PHE QD 5.160 . 8.520 6.719 5.060 7.387 . 0 0 "[ . 1 . 2]" 1
382 1 37 PHE H 1 37 PHE HA 2.350 . 2.900 2.914 2.880 2.937 0.037 19 0 "[ . 1 . 2]" 1
383 1 37 PHE H 1 37 PHE HB2 2.520 . 3.240 3.109 2.697 3.295 0.055 20 0 "[ . 1 . 2]" 1
384 1 37 PHE H 1 37 PHE HB3 2.520 . 3.240 2.715 2.418 2.932 . 0 0 "[ . 1 . 2]" 1
385 1 37 PHE H 1 37 PHE QD 4.715 . 7.630 4.339 4.193 4.446 . 0 0 "[ . 1 . 2]" 1
386 1 37 PHE H 1 39 ARG H 2.935 . 4.070 3.945 3.214 4.215 0.145 15 0 "[ . 1 . 2]" 1
387 1 37 PHE HA 1 38 ALA H 2.650 . 3.500 3.462 3.038 3.555 0.055 1 0 "[ . 1 . 2]" 1
388 1 37 PHE QD 1 38 ALA MB 5.225 . 8.650 3.336 2.181 4.895 . 0 0 "[ . 1 . 2]" 1
389 1 38 ALA H 1 38 ALA MB 2.780 . 3.760 2.582 2.239 3.047 . 0 0 "[ . 1 . 2]" 1
390 1 38 ALA HA 1 39 ARG H 2.285 . 2.770 2.449 2.125 2.894 0.124 17 0 "[ . 1 . 2]" 1
391 1 38 ALA MB 1 39 ARG H 3.400 . 5.000 3.581 3.413 3.685 . 0 0 "[ . 1 . 2]" 1
392 1 39 ARG H 1 39 ARG HB2 2.690 . 3.580 2.500 2.316 2.809 . 0 0 "[ . 1 . 2]" 1
393 1 39 ARG H 1 39 ARG QB 2.395 . 2.990 2.455 2.290 2.721 . 0 0 "[ . 1 . 2]" 1
394 1 39 ARG H 1 39 ARG HB3 2.690 . 3.580 3.617 3.586 3.756 0.176 17 0 "[ . 1 . 2]" 1
395 1 39 ARG H 1 39 ARG QD 4.090 . 6.380 4.016 3.253 4.521 . 0 0 "[ . 1 . 2]" 1
396 1 39 ARG H 1 39 ARG HG2 3.125 . 4.450 3.467 2.137 4.328 . 0 0 "[ . 1 . 2]" 1
397 1 39 ARG H 1 39 ARG HG3 3.125 . 4.450 2.844 1.959 4.453 0.003 17 0 "[ . 1 . 2]" 1
398 1 39 ARG HA 1 39 ARG QD 3.705 . 5.610 3.715 2.116 4.305 . 0 0 "[ . 1 . 2]" 1
399 1 39 ARG HA 1 39 ARG HE 3.650 . 5.500 4.501 3.502 5.322 . 0 0 "[ . 1 . 2]" 1
400 1 39 ARG HA 1 39 ARG QG 2.545 . 3.290 2.527 2.296 3.069 . 0 0 "[ . 1 . 2]" 1
401 1 39 ARG QB 1 39 ARG HE 3.320 . 4.840 2.853 1.951 4.036 . 0 0 "[ . 1 . 2]" 1
402 1 39 ARG HB2 1 39 ARG HE 3.650 . 5.500 3.615 1.975 4.589 . 0 0 "[ . 1 . 2]" 1
403 1 39 ARG HB3 1 39 ARG HE 3.650 . 5.500 3.200 2.035 4.495 . 0 0 "[ . 1 . 2]" 1
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