Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603149 | 2n94 RC | 26691 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n94
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 848
_Distance_constraint_stats_list.Viol_count 1189
_Distance_constraint_stats_list.Viol_total 1171.300
_Distance_constraint_stats_list.Viol_max 1.403
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PRO 0.671 0.473 9 0 "[ . 1 . 2]"
1 4 MET 1.122 0.473 9 0 "[ . 1 . 2]"
1 5 ALA 2.638 0.151 13 0 "[ . 1 . 2]"
1 6 VAL 4.141 1.403 7 1 "[ . + 1 . 2]"
1 7 LEU 4.546 1.403 7 1 "[ . + 1 . 2]"
1 8 CYS 0.924 0.077 11 0 "[ . 1 . 2]"
1 9 GLY 1.145 0.100 18 0 "[ . 1 . 2]"
1 10 VAL 3.438 0.082 6 0 "[ . 1 . 2]"
1 11 CYS 1.716 0.141 7 0 "[ . 1 . 2]"
1 12 GLY 1.580 0.108 4 0 "[ . 1 . 2]"
1 13 ILE 3.855 0.176 8 0 "[ . 1 . 2]"
1 14 LYS 0.845 0.178 18 0 "[ . 1 . 2]"
1 15 GLU 0.812 0.140 9 0 "[ . 1 . 2]"
1 16 PHE 7.844 0.267 20 0 "[ . 1 . 2]"
1 17 LYS 3.669 0.086 13 0 "[ . 1 . 2]"
1 18 TYR 5.671 0.169 10 0 "[ . 1 . 2]"
1 19 LYS 1.450 0.114 11 0 "[ . 1 . 2]"
1 20 CYS 0.686 0.061 10 0 "[ . 1 . 2]"
1 21 PRO 1.961 0.184 2 0 "[ . 1 . 2]"
1 22 ARG 2.631 0.153 4 0 "[ . 1 . 2]"
1 23 CYS 1.927 0.958 16 1 "[ . 1 .+ 2]"
1 24 LEU 1.776 0.958 16 1 "[ . 1 .+ 2]"
1 25 VAL 5.144 0.344 16 0 "[ . 1 . 2]"
1 26 GLN 5.956 0.172 11 0 "[ . 1 . 2]"
1 27 THR 6.010 0.155 17 0 "[ . 1 . 2]"
1 28 CYS 2.846 0.176 8 0 "[ . 1 . 2]"
1 29 SER 3.099 0.117 5 0 "[ . 1 . 2]"
1 30 LEU 1.894 0.159 17 0 "[ . 1 . 2]"
1 31 GLU 0.977 0.158 17 0 "[ . 1 . 2]"
1 32 CYS 1.646 0.117 5 0 "[ . 1 . 2]"
1 33 SER 1.655 0.098 18 0 "[ . 1 . 2]"
1 34 LYS 1.153 0.098 18 0 "[ . 1 . 2]"
1 35 LYS 2.934 0.171 20 0 "[ . 1 . 2]"
1 36 HIS 6.752 0.163 16 0 "[ . 1 . 2]"
1 37 LYS 3.289 0.163 16 0 "[ . 1 . 2]"
1 38 THR 2.685 0.092 15 0 "[ . 1 . 2]"
1 39 ARG 0.563 0.092 15 0 "[ . 1 . 2]"
1 40 ASP 0.954 0.117 1 0 "[ . 1 . 2]"
1 41 ASN 2.146 0.117 1 0 "[ . 1 . 2]"
1 42 CYS 0.235 0.084 20 0 "[ . 1 . 2]"
1 43 SER 1.267 0.126 6 0 "[ . 1 . 2]"
1 44 GLY 1.518 0.153 4 0 "[ . 1 . 2]"
1 45 GLN 2.675 0.173 17 0 "[ . 1 . 2]"
1 46 THR 1.954 0.184 2 0 "[ . 1 . 2]"
1 48 ASP 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 15 GLU HA 1 16 PHE H 2.680 . 2.680 2.362 2.204 2.656 . 0 0 "[ . 1 . 2]" 1
2 1 10 VAL H 1 27 THR MG 3.400 . 3.400 3.301 3.090 3.385 . 0 0 "[ . 1 . 2]" 1
3 1 4 MET QB 1 5 ALA H 3.850 . 3.850 3.252 1.767 4.000 0.150 4 0 "[ . 1 . 2]" 1
4 1 5 ALA H 1 5 ALA MB 3.230 . 3.230 2.611 2.254 2.996 . 0 0 "[ . 1 . 2]" 1
5 1 39 ARG HG2 1 40 ASP H 3.590 . 3.590 3.156 2.860 3.572 . 0 0 "[ . 1 . 2]" 1
6 1 39 ARG HG3 1 40 ASP H 3.590 . 3.590 2.542 2.028 3.389 . 0 0 "[ . 1 . 2]" 1
7 1 30 LEU HA 1 33 SER H 3.250 . 3.250 2.973 2.806 3.174 . 0 0 "[ . 1 . 2]" 1
8 1 11 CYS H 1 12 GLY QA 4.270 . 4.270 4.081 3.962 4.256 . 0 0 "[ . 1 . 2]" 1
9 1 11 CYS H 1 11 CYS HB2 3.680 . 3.680 3.693 3.654 3.749 0.069 13 0 "[ . 1 . 2]" 1
10 1 17 LYS H 1 17 LYS QB 3.450 . 3.450 2.598 2.544 2.656 . 0 0 "[ . 1 . 2]" 1
11 1 27 THR MG 1 33 SER H 3.730 . 3.730 3.179 3.065 3.260 . 0 0 "[ . 1 . 2]" 1
12 1 27 THR MG 1 36 HIS H 5.340 . 5.340 4.541 4.395 4.637 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL QG 1 16 PHE QD 3.330 . 3.330 2.525 1.622 3.158 . 0 0 "[ . 1 . 2]" 1
14 1 17 LYS QB 1 18 TYR QD 3.330 . 3.330 2.143 2.055 2.250 . 0 0 "[ . 1 . 2]" 1
15 1 17 LYS QB 1 18 TYR QE 3.440 . 3.440 2.774 2.631 2.885 . 0 0 "[ . 1 . 2]" 1
16 1 17 LYS QD 1 18 TYR QE 3.620 . 3.620 2.203 2.072 2.461 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL HB 1 16 PHE QD 3.210 . 3.210 2.257 2.087 2.403 . 0 0 "[ . 1 . 2]" 1
18 1 18 TYR HA 1 18 TYR QD 3.260 . 3.260 3.180 3.139 3.209 . 0 0 "[ . 1 . 2]" 1
19 1 18 TYR QE 1 29 SER HA 2.990 . 2.990 2.070 1.980 2.248 . 0 0 "[ . 1 . 2]" 1
20 1 46 THR HA 1 46 THR MG 2.960 . 2.960 2.242 2.158 2.447 . 0 0 "[ . 1 . 2]" 1
21 1 19 LYS HG3 1 24 LEU HA 3.560 . 3.560 3.097 2.555 3.577 0.017 12 0 "[ . 1 . 2]" 1
22 1 13 ILE HA 1 13 ILE MG 3.110 . 3.110 2.230 2.180 2.349 . 0 0 "[ . 1 . 2]" 1
23 1 10 VAL MG1 1 32 CYS HA 3.170 . 3.170 2.790 2.599 2.997 . 0 0 "[ . 1 . 2]" 1
24 1 10 VAL HA 1 10 VAL MG1 2.890 . 2.890 2.445 2.419 2.460 . 0 0 "[ . 1 . 2]" 1
25 1 10 VAL HA 1 10 VAL MG2 2.910 . 2.910 2.331 2.308 2.349 . 0 0 "[ . 1 . 2]" 1
26 1 24 LEU HA 1 24 LEU QD 2.930 . 2.930 2.051 1.997 2.093 . 0 0 "[ . 1 . 2]" 1
27 1 30 LEU HA 1 30 LEU MD2 3.920 . 3.920 2.085 1.898 3.833 . 0 0 "[ . 1 . 2]" 1
28 1 10 VAL MG1 1 11 CYS HB3 3.540 . 3.540 2.981 2.810 3.215 . 0 0 "[ . 1 . 2]" 1
29 1 27 THR MG 1 32 CYS QB 3.020 . 3.020 2.058 1.944 2.173 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE HB 1 13 ILE MD 3.110 . 3.110 2.349 2.266 2.400 . 0 0 "[ . 1 . 2]" 1
31 1 10 VAL MG1 1 35 LYS HB2 3.490 . 3.490 3.069 2.680 3.490 0.000 1 0 "[ . 1 . 2]" 1
32 1 10 VAL MG1 1 35 LYS HB3 3.130 . 3.130 2.375 2.128 2.644 . 0 0 "[ . 1 . 2]" 1
33 1 7 LEU HB2 1 7 LEU QD 3.070 . 3.070 2.298 2.230 2.590 . 0 0 "[ . 1 . 2]" 1
34 1 24 LEU HB2 1 24 LEU QD 3.020 . 3.020 2.427 2.187 2.484 . 0 0 "[ . 1 . 2]" 1
35 1 22 ARG HB2 1 22 ARG HD3 4.040 . 4.040 2.794 2.523 3.269 . 0 0 "[ . 1 . 2]" 1
36 1 20 CYS HA 1 21 PRO QD 2.960 . 2.960 1.903 1.825 1.956 . 0 0 "[ . 1 . 2]" 1
37 1 27 THR HB 1 32 CYS QB . . 3.270 2.315 2.157 2.487 . 0 0 "[ . 1 . 2]" 1
38 1 19 LYS QB 1 19 LYS QE 3.670 . 3.670 2.450 1.932 3.583 . 0 0 "[ . 1 . 2]" 1
39 1 39 ARG QB 1 39 ARG HD2 3.790 . 3.790 2.709 2.235 3.298 . 0 0 "[ . 1 . 2]" 1
40 1 35 LYS HB3 1 36 HIS QB 3.920 . 3.920 3.912 3.793 4.041 0.121 20 0 "[ . 1 . 2]" 1
41 1 37 LYS QE 1 37 LYS QG 3.380 . 3.380 2.144 2.120 2.273 . 0 0 "[ . 1 . 2]" 1
42 1 14 LYS HA 1 14 LYS HG2 4.180 . 4.180 3.818 3.701 4.172 . 0 0 "[ . 1 . 2]" 1
43 1 16 PHE QD 1 17 LYS H 3.500 . 3.500 3.056 2.911 3.147 . 0 0 "[ . 1 . 2]" 1
44 1 17 LYS H 1 18 TYR QD 3.810 . 3.810 3.135 3.030 3.196 . 0 0 "[ . 1 . 2]" 1
45 1 16 PHE H 1 16 PHE QD 3.050 . 3.050 2.221 1.905 2.366 . 0 0 "[ . 1 . 2]" 1
46 1 21 PRO HG2 1 44 GLY HA2 3.700 . 3.700 2.886 2.048 3.547 . 0 0 "[ . 1 . 2]" 1
47 1 31 GLU QB 1 32 CYS QB 4.920 . 4.920 4.111 3.922 4.549 . 0 0 "[ . 1 . 2]" 1
48 1 10 VAL HB 1 32 CYS QB . . 3.240 2.222 2.142 2.300 . 0 0 "[ . 1 . 2]" 1
49 1 4 MET HA 1 4 MET HG2 3.870 . 3.870 3.273 2.510 3.786 . 0 0 "[ . 1 . 2]" 1
50 1 4 MET HA 1 4 MET HG3 3.870 . 3.870 3.591 3.036 3.850 . 0 0 "[ . 1 . 2]" 1
51 1 18 TYR HA 1 19 LYS QB 4.540 . 4.540 3.900 3.783 4.014 . 0 0 "[ . 1 . 2]" 1
52 1 17 LYS HA 1 17 LYS QD 4.220 . 4.220 4.052 3.949 4.263 0.043 10 0 "[ . 1 . 2]" 1
53 1 22 ARG HB2 1 22 ARG HD2 4.040 . 4.040 3.489 2.574 3.949 . 0 0 "[ . 1 . 2]" 1
54 1 30 LEU HA 1 30 LEU MD1 3.920 . 3.920 3.520 2.087 3.875 . 0 0 "[ . 1 . 2]" 1
55 1 13 ILE HA 1 13 ILE MD 3.810 . 3.810 3.615 3.560 3.711 . 0 0 "[ . 1 . 2]" 1
56 1 16 PHE QD 1 17 LYS QB 4.610 . 4.610 4.655 4.623 4.696 0.086 12 0 "[ . 1 . 2]" 1
57 1 36 HIS HD2 1 37 LYS QG 3.800 . 3.800 2.501 2.380 2.731 . 0 0 "[ . 1 . 2]" 1
58 1 8 CYS HB3 1 27 THR HA 4.730 . 4.730 4.607 4.501 4.715 . 0 0 "[ . 1 . 2]" 1
59 1 18 TYR QD 1 29 SER H 3.770 . 3.770 3.702 3.518 3.824 0.054 17 0 "[ . 1 . 2]" 1
60 1 22 ARG HD3 1 45 GLN H 5.190 . 5.190 3.606 2.450 4.976 . 0 0 "[ . 1 . 2]" 1
61 1 29 SER HA 1 31 GLU H 4.660 . 4.660 4.276 4.015 4.452 . 0 0 "[ . 1 . 2]" 1
62 1 8 CYS H 1 16 PHE HB3 4.480 . 4.480 4.155 3.796 4.493 0.013 8 0 "[ . 1 . 2]" 1
63 1 33 SER H 1 34 LYS QB 4.790 . 4.790 4.822 4.722 4.888 0.098 18 0 "[ . 1 . 2]" 1
64 1 13 ILE H 1 13 ILE HG12 3.960 . 3.960 3.694 3.448 3.878 . 0 0 "[ . 1 . 2]" 1
65 1 5 ALA MB 1 6 VAL H 3.850 . 3.850 2.377 1.985 2.977 . 0 0 "[ . 1 . 2]" 1
66 1 5 ALA MB 1 16 PHE QD 4.630 . 4.630 4.238 3.721 4.484 . 0 0 "[ . 1 . 2]" 1
67 1 5 ALA MB 1 16 PHE QE 4.940 . 4.940 4.091 3.364 4.545 . 0 0 "[ . 1 . 2]" 1
68 1 18 TYR QE 1 30 LEU MD2 4.760 . 4.760 2.355 2.087 3.880 . 0 0 "[ . 1 . 2]" 1
69 1 18 TYR QD 1 30 LEU MD2 5.640 . 5.640 3.136 2.860 5.265 . 0 0 "[ . 1 . 2]" 1
70 1 18 TYR QE 1 30 LEU MD1 4.760 . 4.760 3.609 1.894 4.845 0.085 3 0 "[ . 1 . 2]" 1
71 1 16 PHE QD 1 17 LYS HA 3.510 . 3.510 3.527 3.411 3.584 0.074 3 0 "[ . 1 . 2]" 1
72 1 18 TYR QD 1 29 SER HA 3.800 . 3.800 2.818 2.616 3.033 . 0 0 "[ . 1 . 2]" 1
73 1 21 PRO HB3 1 46 THR MG 4.230 . 4.230 3.549 2.701 4.265 0.035 2 0 "[ . 1 . 2]" 1
74 1 5 ALA MB 1 7 LEU QD 4.610 . 4.610 4.373 2.843 4.677 0.067 10 0 "[ . 1 . 2]" 1
75 1 20 CYS QB 1 25 VAL MG1 3.950 . 3.950 2.079 1.944 2.250 . 0 0 "[ . 1 . 2]" 1
76 1 25 VAL MG1 1 26 GLN HA 5.030 . 5.030 4.318 4.182 4.437 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLU H 1 15 GLU QG 4.510 . 4.510 3.422 2.288 4.279 . 0 0 "[ . 1 . 2]" 1
78 1 34 LYS QB 1 35 LYS H 3.900 . 3.900 3.795 3.715 3.934 0.034 10 0 "[ . 1 . 2]" 1
79 1 8 CYS HB3 1 28 CYS H 4.510 . 4.510 4.118 4.005 4.275 . 0 0 "[ . 1 . 2]" 1
80 1 16 PHE H 1 16 PHE HB2 3.660 . 3.660 3.639 3.568 3.745 0.085 2 0 "[ . 1 . 2]" 1
81 1 18 TYR H 1 18 TYR HB2 3.670 . 3.670 2.604 2.501 2.693 . 0 0 "[ . 1 . 2]" 1
82 1 16 PHE HB2 1 26 GLN HA 4.250 . 4.250 3.380 3.179 3.631 . 0 0 "[ . 1 . 2]" 1
83 1 18 TYR HB2 1 26 GLN HA 4.940 . 4.940 4.679 4.486 4.825 . 0 0 "[ . 1 . 2]" 1
84 1 19 LYS QE 1 26 GLN HA 5.470 . 5.470 5.092 4.346 5.505 0.035 19 0 "[ . 1 . 2]" 1
85 1 20 CYS QB 1 21 PRO QD 4.290 . 4.290 3.370 3.268 3.464 . 0 0 "[ . 1 . 2]" 1
86 1 6 VAL H 1 6 VAL QG 4.250 . 4.250 2.721 2.285 2.927 . 0 0 "[ . 1 . 2]" 1
87 1 21 PRO HG2 1 46 THR H 4.130 . 4.130 3.338 2.039 4.182 0.052 6 0 "[ . 1 . 2]" 1
88 1 6 VAL H 1 16 PHE QD 4.590 . 4.590 2.903 2.235 3.548 . 0 0 "[ . 1 . 2]" 1
89 1 6 VAL H 1 16 PHE QE 5.190 . 5.190 3.237 2.145 4.593 . 0 0 "[ . 1 . 2]" 1
90 1 16 PHE QD 1 26 GLN HA 4.050 . 4.050 3.629 3.414 3.830 . 0 0 "[ . 1 . 2]" 1
91 1 16 PHE QE 1 18 TYR HA 5.500 . 5.500 5.131 4.821 5.418 . 0 0 "[ . 1 . 2]" 1
92 1 5 ALA HA 1 16 PHE QE 3.780 . 3.780 3.158 2.354 3.803 0.023 11 0 "[ . 1 . 2]" 1
93 1 40 ASP H 1 41 ASN HB2 5.120 . 5.120 5.145 5.022 5.237 0.117 1 0 "[ . 1 . 2]" 1
94 1 17 LYS HG3 1 18 TYR QE 4.520 . 4.520 4.404 4.343 4.525 0.005 2 0 "[ . 1 . 2]" 1
95 1 17 LYS QD 1 18 TYR QD 4.460 . 4.460 3.598 3.438 3.766 . 0 0 "[ . 1 . 2]" 1
96 1 18 TYR QE 1 30 LEU HA 4.370 . 4.370 4.299 3.609 4.450 0.080 7 0 "[ . 1 . 2]" 1
97 1 45 GLN H 1 46 THR HA 4.420 . 4.420 4.413 4.008 4.593 0.173 17 0 "[ . 1 . 2]" 1
98 1 8 CYS HB3 1 28 CYS HB3 3.820 . 3.820 3.266 3.015 3.446 . 0 0 "[ . 1 . 2]" 1
99 1 17 LYS QB 1 17 LYS QE 4.360 . 4.360 3.250 1.889 3.669 . 0 0 "[ . 1 . 2]" 1
100 1 10 VAL MG2 1 32 CYS QB 3.550 . 3.550 2.293 2.206 2.419 . 0 0 "[ . 1 . 2]" 1
101 1 37 LYS QB 1 37 LYS QE 3.620 . 3.620 3.537 3.517 3.609 . 0 0 "[ . 1 . 2]" 1
102 1 34 LYS QB 1 37 LYS QE 3.910 . 3.910 3.515 2.949 3.826 . 0 0 "[ . 1 . 2]" 1
103 1 22 ARG HA 1 22 ARG HD3 4.780 . 4.780 4.515 4.049 4.712 . 0 0 "[ . 1 . 2]" 1
104 1 34 LYS HA 1 37 LYS QE 3.570 . 3.570 2.441 1.990 2.886 . 0 0 "[ . 1 . 2]" 1
105 1 5 ALA MB 1 15 GLU QB 3.990 . 3.990 3.572 2.919 3.956 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLY H 1 27 THR MG 4.380 . 4.380 3.895 3.589 4.011 . 0 0 "[ . 1 . 2]" 1
107 1 7 LEU QD 1 16 PHE H 4.640 . 4.640 4.480 3.306 4.645 0.005 19 0 "[ . 1 . 2]" 1
108 1 10 VAL MG2 1 11 CYS H 3.750 . 3.750 3.772 3.706 3.815 0.065 13 0 "[ . 1 . 2]" 1
109 1 10 VAL MG1 1 36 HIS H 4.470 . 4.470 4.222 4.040 4.392 . 0 0 "[ . 1 . 2]" 1
110 1 17 LYS HG3 1 18 TYR HA 5.860 . 5.860 5.305 5.036 5.574 . 0 0 "[ . 1 . 2]" 1
111 1 23 CYS HA 1 24 LEU QD . . 4.330 4.173 2.681 4.289 . 0 0 "[ . 1 . 2]" 1
112 1 24 LEU HB3 1 24 LEU QD . . 3.140 2.106 2.070 2.455 . 0 0 "[ . 1 . 2]" 1
113 1 10 VAL MG2 1 25 VAL MG2 3.780 . 3.780 2.455 2.114 2.758 . 0 0 "[ . 1 . 2]" 1
114 1 6 VAL QG 1 8 CYS H 5.460 . 5.460 4.079 3.191 4.886 . 0 0 "[ . 1 . 2]" 1
115 1 7 LEU HB3 1 8 CYS H 3.980 . 3.980 2.823 1.988 3.167 . 0 0 "[ . 1 . 2]" 1
116 1 46 THR H 1 46 THR MG 4.320 . 4.320 3.299 2.595 3.942 . 0 0 "[ . 1 . 2]" 1
117 1 7 LEU HB3 1 14 LYS H 4.610 . 4.610 4.118 3.673 4.707 0.097 13 0 "[ . 1 . 2]" 1
118 1 18 TYR QD 1 30 LEU HA 4.480 . 4.480 4.357 3.762 4.516 0.036 8 0 "[ . 1 . 2]" 1
119 1 17 LYS HG3 1 18 TYR QD 4.750 . 4.750 4.499 4.313 4.641 . 0 0 "[ . 1 . 2]" 1
120 1 18 TYR HB2 1 19 LYS H 3.730 . 3.730 3.331 3.183 3.578 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS HB2 1 13 ILE MG 3.970 . 3.970 3.762 3.408 4.111 0.141 7 0 "[ . 1 . 2]" 1
122 1 29 SER HB2 1 32 CYS H 4.510 . 4.510 3.433 3.072 4.005 . 0 0 "[ . 1 . 2]" 1
123 1 19 LYS H 1 20 CYS HA 4.530 . 4.530 4.238 4.114 4.380 . 0 0 "[ . 1 . 2]" 1
124 1 43 SER HB2 1 45 GLN QB 5.180 . 5.180 3.938 2.595 5.202 0.022 6 0 "[ . 1 . 2]" 1
125 1 44 GLY HA3 1 45 GLN QB 5.770 . 5.770 4.823 4.229 5.373 . 0 0 "[ . 1 . 2]" 1
126 1 23 CYS HA 1 24 LEU HG 4.680 . 4.680 4.224 3.993 5.638 0.958 16 1 "[ . 1 .+ 2]" 1
127 1 19 LYS H 1 19 LYS HG3 4.960 . 4.960 4.790 4.745 4.837 . 0 0 "[ . 1 . 2]" 1
128 1 18 TYR QE 1 29 SER H 4.700 . 4.700 4.575 4.412 4.713 0.013 19 0 "[ . 1 . 2]" 1
129 1 19 LYS HG2 1 24 LEU HB3 4.970 . 4.970 3.854 3.536 4.161 . 0 0 "[ . 1 . 2]" 1
130 1 20 CYS QB 1 25 VAL MG2 5.010 . 5.010 4.484 4.385 4.613 . 0 0 "[ . 1 . 2]" 1
131 1 35 LYS HA 1 35 LYS QE 5.130 . 5.130 4.284 3.780 4.976 . 0 0 "[ . 1 . 2]" 1
132 1 37 LYS QE 1 44 GLY HA2 5.590 . 5.590 3.742 2.921 5.376 . 0 0 "[ . 1 . 2]" 1
133 1 32 CYS QB 1 35 LYS HB2 4.800 . 4.800 4.069 3.729 4.295 . 0 0 "[ . 1 . 2]" 1
134 1 16 PHE QE 1 19 LYS QE 4.760 . 4.760 4.762 4.435 4.874 0.114 11 0 "[ . 1 . 2]" 1
135 1 13 ILE H 1 28 CYS HB2 5.870 . 5.870 5.913 5.433 6.046 0.176 8 0 "[ . 1 . 2]" 1
136 1 7 LEU QD 1 13 ILE H 5.200 . 5.200 3.648 3.133 4.082 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL HB 1 12 GLY H 4.820 . 4.820 4.320 4.251 4.397 . 0 0 "[ . 1 . 2]" 1
138 1 15 GLU QG 1 16 PHE QD 5.060 . 5.060 3.846 2.881 4.695 . 0 0 "[ . 1 . 2]" 1
139 1 18 TYR QD 1 29 SER HB3 5.450 . 5.450 5.144 5.003 5.321 . 0 0 "[ . 1 . 2]" 1
140 1 18 TYR QE 1 30 LEU HB3 5.220 . 5.220 5.162 4.590 5.278 0.058 19 0 "[ . 1 . 2]" 1
141 1 10 VAL HB 1 32 CYS HA 4.460 . 4.460 3.913 3.736 4.125 . 0 0 "[ . 1 . 2]" 1
142 1 31 GLU QB 1 32 CYS HA 4.800 . 4.800 4.164 3.891 4.320 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLU HA 1 16 PHE HB3 4.470 . 4.470 4.316 4.240 4.404 . 0 0 "[ . 1 . 2]" 1
144 1 6 VAL HB 1 16 PHE HB3 3.960 . 3.960 3.755 3.416 3.968 0.008 13 0 "[ . 1 . 2]" 1
145 1 7 LEU HB2 1 12 GLY QA 4.680 . 4.680 3.510 2.665 3.952 . 0 0 "[ . 1 . 2]" 1
146 1 21 PRO QD 1 22 ARG HB2 5.030 . 5.030 4.423 4.085 4.693 . 0 0 "[ . 1 . 2]" 1
147 1 27 THR MG 1 30 LEU HA 5.210 . 5.210 5.126 4.957 5.217 0.007 10 0 "[ . 1 . 2]" 1
148 1 11 CYS HB2 1 13 ILE MD 4.060 . 4.060 3.812 3.370 4.069 0.009 6 0 "[ . 1 . 2]" 1
149 1 6 VAL QG 1 16 PHE HB2 4.780 . 4.780 3.890 2.916 4.710 . 0 0 "[ . 1 . 2]" 1
150 1 8 CYS HB2 1 13 ILE HG13 5.270 . 5.270 5.149 4.491 5.316 0.046 11 0 "[ . 1 . 2]" 1
151 1 6 VAL QG 1 16 PHE HB3 4.710 . 4.710 2.697 1.652 3.567 . 0 0 "[ . 1 . 2]" 1
152 1 21 PRO HG2 1 46 THR MG 4.420 . 4.420 3.826 2.854 4.604 0.184 2 0 "[ . 1 . 2]" 1
153 1 21 PRO HB2 1 46 THR MG 3.640 . 3.640 2.357 1.915 3.147 . 0 0 "[ . 1 . 2]" 1
154 1 10 VAL MG2 1 35 LYS HB2 4.290 . 4.290 3.943 3.245 4.331 0.041 13 0 "[ . 1 . 2]" 1
155 1 34 LYS HA 1 37 LYS QG 3.570 . 3.570 2.154 2.015 2.392 . 0 0 "[ . 1 . 2]" 1
156 1 31 GLU HA 1 31 GLU HG3 3.810 . 3.810 2.916 2.445 3.715 . 0 0 "[ . 1 . 2]" 1
157 1 35 LYS QE 1 38 THR MG 5.470 . 5.470 4.652 3.615 5.558 0.088 20 0 "[ . 1 . 2]" 1
158 1 17 LYS QD 1 28 CYS HB2 5.930 . 5.930 5.567 5.066 5.972 0.042 18 0 "[ . 1 . 2]" 1
159 1 34 LYS HA 1 36 HIS H 4.270 . 4.270 4.146 3.972 4.299 0.029 17 0 "[ . 1 . 2]" 1
160 1 18 TYR H 1 27 THR HB 5.370 . 5.370 4.688 4.518 4.810 . 0 0 "[ . 1 . 2]" 1
161 1 10 VAL H 1 32 CYS QB . . 4.050 3.861 3.745 3.939 . 0 0 "[ . 1 . 2]" 1
162 1 21 PRO HG2 1 45 GLN H 4.120 . 4.120 3.418 3.101 3.903 . 0 0 "[ . 1 . 2]" 1
163 1 5 ALA MB 1 15 GLU QG 4.100 . 4.100 2.296 2.029 2.578 . 0 0 "[ . 1 . 2]" 1
164 1 2 PRO HB2 1 4 MET HG2 3.330 . 3.330 2.677 2.057 3.365 0.035 18 0 "[ . 1 . 2]" 1
165 1 2 PRO HB2 1 4 MET HG3 3.330 . 3.330 3.006 1.951 3.803 0.473 9 0 "[ . 1 . 2]" 1
166 1 7 LEU HA 1 8 CYS HB2 4.750 . 4.750 4.434 4.303 4.535 . 0 0 "[ . 1 . 2]" 1
167 1 11 CYS H 1 13 ILE H 5.320 . 5.320 4.540 3.947 5.068 . 0 0 "[ . 1 . 2]" 1
168 1 11 CYS H 1 28 CYS H 5.630 . 5.630 4.772 4.647 4.936 . 0 0 "[ . 1 . 2]" 1
169 1 18 TYR H 1 28 CYS H 6.000 . 6.000 4.840 4.663 4.986 . 0 0 "[ . 1 . 2]" 1
170 1 10 VAL H 1 28 CYS H 4.890 . 4.890 4.587 4.418 4.771 . 0 0 "[ . 1 . 2]" 1
171 1 17 LYS QB 1 29 SER H 5.070 . 5.070 4.500 4.335 4.669 . 0 0 "[ . 1 . 2]" 1
172 1 30 LEU MD2 1 31 GLU H 5.340 . 5.340 4.726 4.563 4.769 . 0 0 "[ . 1 . 2]" 1
173 1 8 CYS HA 1 28 CYS H 4.500 . 4.500 3.851 3.591 4.112 . 0 0 "[ . 1 . 2]" 1
174 1 46 THR HB 1 48 ASP H 5.820 . 5.820 4.542 2.665 5.755 . 0 0 "[ . 1 . 2]" 1
175 1 17 LYS HA 1 18 TYR QE 5.540 . 5.540 5.425 5.295 5.540 0.000 11 0 "[ . 1 . 2]" 1
176 1 26 GLN HA 1 27 THR HA 5.510 . 5.510 4.412 4.380 4.442 . 0 0 "[ . 1 . 2]" 1
177 1 18 TYR QD 1 26 GLN HA 6.000 . 6.000 6.092 5.992 6.169 0.169 10 0 "[ . 1 . 2]" 1
178 1 7 LEU HB3 1 8 CYS HB3 4.860 . 4.860 4.215 3.692 4.478 . 0 0 "[ . 1 . 2]" 1
179 1 8 CYS HB3 1 10 VAL MG2 6.000 . 6.000 5.475 5.265 5.585 . 0 0 "[ . 1 . 2]" 1
180 1 26 GLN HA 1 27 THR HB 5.800 . 5.800 5.675 5.609 5.743 . 0 0 "[ . 1 . 2]" 1
181 1 7 LEU H 1 7 LEU QD 4.280 . 4.280 3.277 1.879 3.579 . 0 0 "[ . 1 . 2]" 1
182 1 7 LEU QD 1 15 GLU H 5.450 . 5.450 3.079 1.653 3.639 . 0 0 "[ . 1 . 2]" 1
183 1 17 LYS QB 1 29 SER HA 5.090 . 5.090 3.514 3.280 3.852 . 0 0 "[ . 1 . 2]" 1
184 1 17 LYS QD 1 29 SER HA 5.220 . 5.220 3.643 3.359 3.941 . 0 0 "[ . 1 . 2]" 1
185 1 43 SER HB3 1 45 GLN QB 5.180 . 5.180 4.165 3.316 5.303 0.123 7 0 "[ . 1 . 2]" 1
186 1 21 PRO HA 1 46 THR MG 4.820 . 4.820 3.919 3.635 4.774 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLY HA3 1 10 VAL MG2 4.820 . 4.820 3.824 3.778 3.880 . 0 0 "[ . 1 . 2]" 1
188 1 34 LYS QB 1 34 LYS QD 3.250 . 3.250 2.170 2.102 2.331 . 0 0 "[ . 1 . 2]" 1
189 1 8 CYS HB3 1 13 ILE MG 5.510 . 5.510 5.387 4.989 5.536 0.026 14 0 "[ . 1 . 2]" 1
190 1 8 CYS HB2 1 13 ILE MD 4.370 . 4.370 4.374 4.214 4.447 0.077 11 0 "[ . 1 . 2]" 1
191 1 16 PHE HA 1 28 CYS HB3 4.910 . 4.910 3.379 3.098 3.652 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE HB3 1 26 GLN HA 5.290 . 5.290 4.545 4.302 4.793 . 0 0 "[ . 1 . 2]" 1
193 1 7 LEU QD 1 8 CYS HB3 5.530 . 5.530 4.511 4.282 4.775 . 0 0 "[ . 1 . 2]" 1
194 1 17 LYS QB 1 28 CYS HB2 5.320 . 5.320 4.355 3.994 4.653 . 0 0 "[ . 1 . 2]" 1
195 1 20 CYS HA 1 21 PRO HG3 4.510 . 4.510 4.367 4.339 4.381 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL MG2 1 35 LYS HB3 3.960 . 3.960 2.920 2.655 3.583 . 0 0 "[ . 1 . 2]" 1
197 1 18 TYR QE 1 30 LEU HB2 5.220 . 5.220 4.586 3.077 5.023 . 0 0 "[ . 1 . 2]" 1
198 1 19 LYS HG2 1 25 VAL H 5.290 . 5.290 4.734 4.500 5.184 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL MG2 1 12 GLY H 5.580 . 5.580 5.214 5.073 5.353 . 0 0 "[ . 1 . 2]" 1
200 1 18 TYR H 1 18 TYR QE 5.470 . 5.470 4.738 4.551 4.897 . 0 0 "[ . 1 . 2]" 1
201 1 8 CYS H 1 12 GLY H 5.230 . 5.230 4.066 3.718 4.652 . 0 0 "[ . 1 . 2]" 1
202 1 17 LYS H 1 29 SER H 5.830 . 5.830 4.767 4.554 4.961 . 0 0 "[ . 1 . 2]" 1
203 1 8 CYS H 1 27 THR HA 6.000 . 6.000 5.512 5.402 5.637 . 0 0 "[ . 1 . 2]" 1
204 1 31 GLU H 1 32 CYS QB 5.530 . 5.530 4.683 4.532 4.818 . 0 0 "[ . 1 . 2]" 1
205 1 25 VAL MG1 1 36 HIS HD2 4.890 . 4.890 4.943 4.805 5.024 0.134 20 0 "[ . 1 . 2]" 1
206 1 18 TYR QD 1 19 LYS QB 6.000 . 6.000 5.607 5.506 5.755 . 0 0 "[ . 1 . 2]" 1
207 1 37 LYS QB 1 41 ASN H 5.240 . 5.240 4.750 4.197 5.083 . 0 0 "[ . 1 . 2]" 1
208 1 39 ARG QB 1 41 ASN H 5.690 . 5.690 4.891 4.672 5.143 . 0 0 "[ . 1 . 2]" 1
209 1 17 LYS HA 1 17 LYS QE 5.360 . 5.360 4.659 3.730 5.186 . 0 0 "[ . 1 . 2]" 1
210 1 29 SER H 1 32 CYS HA 5.490 . 5.490 5.401 5.347 5.467 . 0 0 "[ . 1 . 2]" 1
211 1 43 SER H 1 44 GLY HA2 5.050 . 5.050 4.453 4.040 5.176 0.126 6 0 "[ . 1 . 2]" 1
212 1 6 VAL H 1 6 VAL HB 4.040 . 4.040 2.916 2.463 3.389 . 0 0 "[ . 1 . 2]" 1
213 1 10 VAL H 1 12 GLY H 3.950 . 3.950 3.517 3.259 3.677 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL H 1 27 THR HA 4.520 . 4.520 3.463 3.288 3.635 . 0 0 "[ . 1 . 2]" 1
215 1 8 CYS HB3 1 10 VAL H 4.430 . 4.430 3.787 3.516 3.999 . 0 0 "[ . 1 . 2]" 1
216 1 10 VAL H 1 10 VAL MG2 3.020 . 3.020 2.465 2.380 2.521 . 0 0 "[ . 1 . 2]" 1
217 1 10 VAL H 1 10 VAL HB 3.010 . 3.010 2.474 2.450 2.520 . 0 0 "[ . 1 . 2]" 1
218 1 11 CYS H 1 12 GLY H 3.050 . 3.050 2.207 2.049 2.356 . 0 0 "[ . 1 . 2]" 1
219 1 8 CYS HB3 1 11 CYS H 3.730 . 3.730 3.068 2.545 3.350 . 0 0 "[ . 1 . 2]" 1
220 1 10 VAL HB 1 11 CYS H 2.760 . 2.760 2.255 2.108 2.354 . 0 0 "[ . 1 . 2]" 1
221 1 11 CYS H 1 11 CYS HB3 3.140 . 3.140 2.767 2.656 2.889 . 0 0 "[ . 1 . 2]" 1
222 1 11 CYS H 1 32 CYS QB 4.480 . 4.480 3.889 3.776 4.074 . 0 0 "[ . 1 . 2]" 1
223 1 10 VAL MG1 1 11 CYS H 2.990 . 2.990 2.908 2.720 3.010 0.020 2 0 "[ . 1 . 2]" 1
224 1 10 VAL MG1 1 12 GLY H 4.610 . 4.610 4.657 4.607 4.692 0.082 6 0 "[ . 1 . 2]" 1
225 1 6 VAL QG 1 16 PHE H 4.660 . 4.660 3.340 1.832 4.465 . 0 0 "[ . 1 . 2]" 1
226 1 16 PHE HB3 1 17 LYS H 4.180 . 4.180 3.966 3.814 4.087 . 0 0 "[ . 1 . 2]" 1
227 1 16 PHE HB2 1 17 LYS H 3.750 . 3.750 2.651 2.427 2.864 . 0 0 "[ . 1 . 2]" 1
228 1 17 LYS H 1 17 LYS HG2 4.750 . 4.750 4.446 4.364 4.525 . 0 0 "[ . 1 . 2]" 1
229 1 18 TYR QD 1 19 LYS H 4.290 . 4.290 3.708 3.589 3.936 . 0 0 "[ . 1 . 2]" 1
230 1 18 TYR HA 1 19 LYS H 3.000 . 3.000 2.521 2.390 2.608 . 0 0 "[ . 1 . 2]" 1
231 1 18 TYR HB3 1 19 LYS H 3.470 . 3.470 2.112 1.949 2.413 . 0 0 "[ . 1 . 2]" 1
232 1 19 LYS H 1 19 LYS QB 3.310 . 3.310 2.834 2.737 2.903 . 0 0 "[ . 1 . 2]" 1
233 1 25 VAL H 1 25 VAL MG1 3.620 . 3.620 2.047 1.988 2.152 . 0 0 "[ . 1 . 2]" 1
234 1 24 LEU HG 1 25 VAL H 5.260 . 5.260 4.977 4.863 5.604 0.344 16 0 "[ . 1 . 2]" 1
235 1 24 LEU HB2 1 25 VAL H 4.280 . 4.280 3.821 3.576 4.001 . 0 0 "[ . 1 . 2]" 1
236 1 19 LYS H 1 27 THR H 5.040 . 5.040 4.192 4.061 4.457 . 0 0 "[ . 1 . 2]" 1
237 1 27 THR H 1 28 CYS H 4.560 . 4.560 4.550 4.503 4.571 0.011 2 0 "[ . 1 . 2]" 1
238 1 16 PHE HA 1 28 CYS H 4.930 . 4.930 3.933 3.671 4.221 . 0 0 "[ . 1 . 2]" 1
239 1 8 CYS HB2 1 28 CYS H 3.380 . 3.380 3.076 2.909 3.298 . 0 0 "[ . 1 . 2]" 1
240 1 27 THR MG 1 28 CYS H 3.520 . 3.520 3.425 3.319 3.528 0.008 1 0 "[ . 1 . 2]" 1
241 1 10 VAL HB 1 28 CYS H 4.920 . 4.920 4.476 4.336 4.575 . 0 0 "[ . 1 . 2]" 1
242 1 29 SER H 1 32 CYS H 3.770 . 3.770 3.386 3.309 3.463 . 0 0 "[ . 1 . 2]" 1
243 1 27 THR HA 1 29 SER H 4.260 . 4.260 4.059 3.944 4.155 . 0 0 "[ . 1 . 2]" 1
244 1 27 THR HB 1 29 SER H 3.010 . 3.010 2.505 2.382 2.655 . 0 0 "[ . 1 . 2]" 1
245 1 28 CYS HB3 1 29 SER H 4.410 . 4.410 4.038 3.995 4.119 . 0 0 "[ . 1 . 2]" 1
246 1 29 SER H 1 32 CYS QB . . 3.060 2.523 2.479 2.573 . 0 0 "[ . 1 . 2]" 1
247 1 28 CYS HB2 1 29 SER H 4.280 . 4.280 4.023 3.881 4.199 . 0 0 "[ . 1 . 2]" 1
248 1 31 GLU H 1 33 SER H 4.780 . 4.780 3.881 3.689 3.979 . 0 0 "[ . 1 . 2]" 1
249 1 31 GLU H 1 32 CYS H 3.770 . 3.770 2.813 2.656 2.944 . 0 0 "[ . 1 . 2]" 1
250 1 29 SER H 1 31 GLU H 5.200 . 5.200 4.680 4.477 4.833 . 0 0 "[ . 1 . 2]" 1
251 1 29 SER HB3 1 31 GLU H 3.800 . 3.800 3.087 2.692 3.917 0.117 5 0 "[ . 1 . 2]" 1
252 1 29 SER HB2 1 31 GLU H 3.800 . 3.800 2.925 2.351 3.246 . 0 0 "[ . 1 . 2]" 1
253 1 30 LEU HB3 1 31 GLU H 3.830 . 3.830 3.527 2.819 3.861 0.031 8 0 "[ . 1 . 2]" 1
254 1 30 LEU HB2 1 31 GLU H 3.830 . 3.830 3.069 2.723 3.756 . 0 0 "[ . 1 . 2]" 1
255 1 31 GLU H 1 31 GLU QB . . 3.220 2.256 2.069 2.610 . 0 0 "[ . 1 . 2]" 1
256 1 30 LEU MD1 1 31 GLU H 5.340 . 5.340 4.571 3.973 4.844 . 0 0 "[ . 1 . 2]" 1
257 1 28 CYS H 1 32 CYS H 5.020 . 5.020 4.820 4.640 4.950 . 0 0 "[ . 1 . 2]" 1
258 1 27 THR MG 1 32 CYS H 4.220 . 4.220 4.293 4.261 4.337 0.117 5 0 "[ . 1 . 2]" 1
259 1 31 GLU QB 1 32 CYS H 3.380 . 3.380 2.576 2.309 3.170 . 0 0 "[ . 1 . 2]" 1
260 1 33 SER H 1 34 LYS H 3.770 . 3.770 2.554 2.497 2.638 . 0 0 "[ . 1 . 2]" 1
261 1 40 ASP H 1 41 ASN H 3.170 . 3.170 2.112 1.799 2.228 . 0 0 "[ . 1 . 2]" 1
262 1 36 HIS HA 1 40 ASP H 4.830 . 4.830 3.959 3.474 4.706 . 0 0 "[ . 1 . 2]" 1
263 1 39 ARG QB 1 40 ASP H 3.850 . 3.850 3.546 3.227 3.848 . 0 0 "[ . 1 . 2]" 1
264 1 41 ASN HB2 1 41 ASN HD22 3.950 . 3.950 3.655 3.468 4.024 0.074 2 0 "[ . 1 . 2]" 1
265 1 43 SER H 1 43 SER HB3 3.750 . 3.750 3.356 2.485 3.814 0.064 4 0 "[ . 1 . 2]" 1
266 1 42 CYS HA 1 43 SER H 2.890 . 2.890 2.267 2.159 2.495 . 0 0 "[ . 1 . 2]" 1
267 1 22 ARG HD3 1 43 SER H 4.590 . 4.590 3.042 1.822 4.080 . 0 0 "[ . 1 . 2]" 1
268 1 22 ARG HD2 1 43 SER H 4.590 . 4.590 3.550 2.569 4.464 . 0 0 "[ . 1 . 2]" 1
269 1 43 SER H 1 43 SER HB2 3.750 . 3.750 2.931 2.530 3.829 0.079 19 0 "[ . 1 . 2]" 1
270 1 22 ARG HD2 1 45 GLN H 5.190 . 5.190 3.211 1.825 4.263 . 0 0 "[ . 1 . 2]" 1
271 1 22 ARG QG 1 45 GLN H 4.350 . 4.350 2.840 2.229 3.496 . 0 0 "[ . 1 . 2]" 1
272 1 21 PRO HB2 1 45 GLN H 4.840 . 4.840 4.892 4.725 4.994 0.154 2 0 "[ . 1 . 2]" 1
273 1 45 GLN QB 1 45 GLN HE22 4.370 . 4.370 3.585 3.192 4.291 . 0 0 "[ . 1 . 2]" 1
274 1 21 PRO HB2 1 46 THR H 5.320 . 5.320 3.193 2.485 3.978 . 0 0 "[ . 1 . 2]" 1
275 1 15 GLU QG 1 16 PHE H 3.520 . 3.520 2.884 1.624 3.660 0.140 9 0 "[ . 1 . 2]" 1
276 1 5 ALA H 1 6 VAL H 4.420 . 4.420 4.405 4.161 4.552 0.132 16 0 "[ . 1 . 2]" 1
277 1 46 THR HA 1 48 ASP H 6.000 . 6.000 4.512 3.393 5.847 . 0 0 "[ . 1 . 2]" 1
278 1 5 ALA HA 1 6 VAL H 2.980 . 2.980 2.370 2.110 2.574 . 0 0 "[ . 1 . 2]" 1
279 1 5 ALA HA 1 6 VAL HB 4.680 . 4.680 4.266 3.758 4.686 0.006 11 0 "[ . 1 . 2]" 1
280 1 6 VAL QG 1 7 LEU HA 4.630 . 4.630 3.463 2.786 3.905 . 0 0 "[ . 1 . 2]" 1
281 1 9 GLY HA2 1 27 THR MG 5.580 . 5.580 5.568 5.246 5.619 0.039 20 0 "[ . 1 . 2]" 1
282 1 9 GLY HA3 1 27 THR MG 5.360 . 5.360 4.412 4.073 4.479 . 0 0 "[ . 1 . 2]" 1
283 1 10 VAL MG1 1 35 LYS QD 3.610 . 3.610 3.053 1.809 3.690 0.080 14 0 "[ . 1 . 2]" 1
284 1 10 VAL H 1 10 VAL MG1 3.810 . 3.810 3.779 3.760 3.807 . 0 0 "[ . 1 . 2]" 1
285 1 10 VAL MG1 1 11 CYS HB2 4.580 . 4.580 4.303 4.185 4.502 . 0 0 "[ . 1 . 2]" 1
286 1 10 VAL MG1 1 35 LYS QE 4.060 . 4.060 3.586 2.841 4.112 0.052 7 0 "[ . 1 . 2]" 1
287 1 10 VAL MG1 1 32 CYS QB 3.900 . 3.900 2.935 2.803 3.023 . 0 0 "[ . 1 . 2]" 1
288 1 10 VAL MG2 1 36 HIS HA 4.620 . 4.620 4.497 4.179 4.661 0.041 7 0 "[ . 1 . 2]" 1
289 1 11 CYS HB2 1 13 ILE H 4.920 . 4.920 4.201 3.674 4.771 . 0 0 "[ . 1 . 2]" 1
290 1 11 CYS HB3 1 13 ILE H 6.000 . 6.000 5.033 4.612 5.606 . 0 0 "[ . 1 . 2]" 1
291 1 7 LEU HB3 1 12 GLY QA 4.120 . 4.120 2.424 1.930 3.259 . 0 0 "[ . 1 . 2]" 1
292 1 7 LEU QD 1 12 GLY QA 4.200 . 4.200 3.201 2.685 3.864 . 0 0 "[ . 1 . 2]" 1
293 1 11 CYS HB2 1 12 GLY QA 5.030 . 5.030 4.936 4.857 5.041 0.011 13 0 "[ . 1 . 2]" 1
294 1 13 ILE HA 1 13 ILE HG13 3.780 . 3.780 3.569 3.524 3.603 . 0 0 "[ . 1 . 2]" 1
295 1 7 LEU QD 1 13 ILE HA 3.970 . 3.970 2.980 1.875 3.377 . 0 0 "[ . 1 . 2]" 1
296 1 12 GLY QA 1 13 ILE HG12 5.600 . 5.600 5.533 5.158 5.708 0.108 4 0 "[ . 1 . 2]" 1
297 1 13 ILE HG12 1 13 ILE MG 3.600 . 3.600 2.227 2.155 2.284 . 0 0 "[ . 1 . 2]" 1
298 1 12 GLY QA 1 13 ILE MG 4.300 . 4.300 3.800 3.380 4.049 . 0 0 "[ . 1 . 2]" 1
299 1 14 LYS HA 1 14 LYS HG3 4.180 . 4.180 3.729 3.596 3.877 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLU HA 1 15 GLU QG 3.050 . 3.050 2.388 2.306 2.433 . 0 0 "[ . 1 . 2]" 1
301 1 7 LEU QD 1 15 GLU HA 3.340 . 3.340 2.634 1.771 2.974 . 0 0 "[ . 1 . 2]" 1
302 1 7 LEU QD 1 15 GLU QB 4.400 . 4.400 3.935 3.259 4.401 0.001 8 0 "[ . 1 . 2]" 1
303 1 16 PHE HA 1 17 LYS QB 4.300 . 4.300 3.932 3.873 3.992 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS HA 1 17 LYS HG2 3.730 . 3.730 3.229 3.132 3.319 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS HA 1 17 LYS HG3 3.570 . 3.570 2.586 2.500 2.637 . 0 0 "[ . 1 . 2]" 1
306 1 19 LYS HG2 1 24 LEU QD 4.680 . 4.680 3.162 2.745 3.328 . 0 0 "[ . 1 . 2]" 1
307 1 21 PRO HA 1 24 LEU QD 3.660 . 3.660 3.039 2.851 3.291 . 0 0 "[ . 1 . 2]" 1
308 1 21 PRO HA 1 24 LEU H 4.880 . 4.880 4.338 4.161 4.559 . 0 0 "[ . 1 . 2]" 1
309 1 21 PRO HB3 1 46 THR HA 6.000 . 6.000 5.277 3.929 6.031 0.031 19 0 "[ . 1 . 2]" 1
310 1 21 PRO HB3 1 46 THR HB 6.000 . 6.000 5.096 3.202 6.008 0.008 15 0 "[ . 1 . 2]" 1
311 1 21 PRO HG3 1 22 ARG QG 5.300 . 5.300 4.606 4.207 5.347 0.047 15 0 "[ . 1 . 2]" 1
312 1 22 ARG HA 1 22 ARG QG 2.970 . 2.970 2.308 2.081 2.379 . 0 0 "[ . 1 . 2]" 1
313 1 22 ARG HA 1 46 THR MG 4.010 . 4.010 3.534 2.835 4.083 0.073 3 0 "[ . 1 . 2]" 1
314 1 22 ARG HA 1 24 LEU QD 4.460 . 4.460 3.673 3.431 3.958 . 0 0 "[ . 1 . 2]" 1
315 1 22 ARG HA 1 22 ARG HD2 4.780 . 4.780 4.651 4.372 4.803 0.023 3 0 "[ . 1 . 2]" 1
316 1 22 ARG HB3 1 23 CYS HB2 5.800 . 5.800 5.329 4.644 5.514 . 0 0 "[ . 1 . 2]" 1
317 1 23 CYS HB2 1 24 LEU HB2 6.000 . 6.000 5.330 5.204 5.429 . 0 0 "[ . 1 . 2]" 1
318 1 24 LEU HA 1 25 VAL HA 4.800 . 4.800 4.673 4.594 4.745 . 0 0 "[ . 1 . 2]" 1
319 1 25 VAL HA 1 25 VAL MG1 3.340 . 3.340 3.224 3.218 3.230 . 0 0 "[ . 1 . 2]" 1
320 1 19 LYS HG3 1 26 GLN HG3 5.220 . 5.220 3.029 2.622 3.523 . 0 0 "[ . 1 . 2]" 1
321 1 16 PHE HB2 1 26 GLN HG2 5.190 . 5.190 4.268 3.983 4.629 . 0 0 "[ . 1 . 2]" 1
322 1 25 VAL MG2 1 27 THR MG 3.610 . 3.610 2.587 2.343 2.867 . 0 0 "[ . 1 . 2]" 1
323 1 27 THR MG 1 32 CYS HA 4.070 . 4.070 3.926 3.786 4.040 . 0 0 "[ . 1 . 2]" 1
324 1 31 GLU HA 1 32 CYS HA 4.750 . 4.750 4.660 4.621 4.718 . 0 0 "[ . 1 . 2]" 1
325 1 31 GLU HA 1 34 LYS HG2 4.590 . 4.590 2.473 2.142 2.882 . 0 0 "[ . 1 . 2]" 1
326 1 31 GLU HA 1 31 GLU QB 2.780 . 2.780 2.355 2.149 2.502 . 0 0 "[ . 1 . 2]" 1
327 1 31 GLU HA 1 34 LYS QD 3.610 . 3.610 3.299 2.277 3.665 0.055 18 0 "[ . 1 . 2]" 1
328 1 31 GLU HA 1 31 GLU HG2 3.810 . 3.810 3.388 2.391 3.815 0.005 14 0 "[ . 1 . 2]" 1
329 1 10 VAL MG2 1 32 CYS HA 4.010 . 4.010 3.309 3.134 3.454 . 0 0 "[ . 1 . 2]" 1
330 1 32 CYS HA 1 35 LYS QD 3.820 . 3.820 3.262 1.983 3.850 0.030 7 0 "[ . 1 . 2]" 1
331 1 32 CYS HA 1 35 LYS HB3 3.410 . 3.410 2.699 2.467 3.304 . 0 0 "[ . 1 . 2]" 1
332 1 32 CYS HA 1 35 LYS HB2 3.270 . 3.270 1.987 1.769 2.186 . 0 0 "[ . 1 . 2]" 1
333 1 28 CYS HB3 1 32 CYS QB 5.470 . 5.470 4.710 4.636 4.781 . 0 0 "[ . 1 . 2]" 1
334 1 34 LYS HA 1 34 LYS HG2 4.160 . 4.160 3.801 3.743 4.222 0.062 18 0 "[ . 1 . 2]" 1
335 1 35 LYS HA 1 35 LYS HB2 2.990 . 2.990 2.566 2.481 2.885 . 0 0 "[ . 1 . 2]" 1
336 1 35 LYS HA 1 38 THR MG 4.010 . 4.010 3.082 2.463 3.867 . 0 0 "[ . 1 . 2]" 1
337 1 35 LYS HA 1 35 LYS QD 3.730 . 3.730 2.708 1.981 3.901 0.171 20 0 "[ . 1 . 2]" 1
338 1 37 LYS QB 1 41 ASN HA 4.670 . 4.670 4.344 3.652 4.692 0.022 1 0 "[ . 1 . 2]" 1
339 1 37 LYS QB 1 38 THR HA 4.560 . 4.560 3.914 3.809 4.053 . 0 0 "[ . 1 . 2]" 1
340 1 38 THR HA 1 38 THR MG 3.270 . 3.270 3.208 3.202 3.215 . 0 0 "[ . 1 . 2]" 1
341 1 38 THR MG 1 39 ARG HA 4.270 . 4.270 3.651 3.457 3.865 . 0 0 "[ . 1 . 2]" 1
342 1 39 ARG HA 1 39 ARG HG3 3.850 . 3.850 3.770 3.694 3.819 . 0 0 "[ . 1 . 2]" 1
343 1 37 LYS QB 1 38 THR MG 4.830 . 4.830 4.281 4.094 4.553 . 0 0 "[ . 1 . 2]" 1
344 1 36 HIS HA 1 39 ARG QB 4.890 . 4.890 4.245 4.018 4.562 . 0 0 "[ . 1 . 2]" 1
345 1 40 ASP H 1 41 ASN HA 4.390 . 4.390 4.274 3.994 4.398 0.008 17 0 "[ . 1 . 2]" 1
346 1 37 LYS QE 1 43 SER HA 4.460 . 4.460 3.748 2.634 4.498 0.038 14 0 "[ . 1 . 2]" 1
347 1 37 LYS QD 1 43 SER HA 4.000 . 4.000 2.910 2.167 3.962 . 0 0 "[ . 1 . 2]" 1
348 1 37 LYS QB 1 43 SER HA 4.500 . 4.500 4.026 3.368 4.558 0.058 8 0 "[ . 1 . 2]" 1
349 1 22 ARG QG 1 46 THR HA 4.300 . 4.300 3.213 2.148 4.333 0.033 19 0 "[ . 1 . 2]" 1
350 1 22 ARG QG 1 44 GLY HA3 4.860 . 4.860 4.848 4.231 5.013 0.153 4 0 "[ . 1 . 2]" 1
351 1 22 ARG HB2 1 44 GLY HA3 6.000 . 6.000 5.223 4.173 6.024 0.024 20 0 "[ . 1 . 2]" 1
352 1 42 CYS HA 1 43 SER HA 4.440 . 4.440 4.416 4.347 4.524 0.084 20 0 "[ . 1 . 2]" 1
353 1 17 LYS HA 1 18 TYR QD 4.300 . 4.300 4.334 4.249 4.366 0.066 16 0 "[ . 1 . 2]" 1
354 1 15 GLU HA 1 16 PHE QD 4.260 . 4.260 3.997 3.662 4.299 0.039 10 0 "[ . 1 . 2]" 1
355 1 16 PHE QD 1 26 GLN HB2 4.460 . 4.460 4.023 3.715 4.292 . 0 0 "[ . 1 . 2]" 1
356 1 20 CYS HA 1 36 HIS HE1 4.860 . 4.860 4.179 4.049 4.319 . 0 0 "[ . 1 . 2]" 1
357 1 7 LEU H 1 7 LEU HG 3.750 . 3.750 2.990 2.579 3.936 0.186 7 0 "[ . 1 . 2]" 1
358 1 6 VAL HB 1 7 LEU H 5.240 . 5.240 4.020 3.898 4.228 . 0 0 "[ . 1 . 2]" 1
359 1 9 GLY H 1 27 THR HA 3.950 . 3.950 3.081 2.648 3.250 . 0 0 "[ . 1 . 2]" 1
360 1 9 GLY H 1 25 VAL MG1 5.000 . 5.000 4.891 4.771 5.000 0.000 9 0 "[ . 1 . 2]" 1
361 1 9 GLY H 1 26 GLN HB2 4.490 . 4.490 3.529 3.257 3.941 . 0 0 "[ . 1 . 2]" 1
362 1 9 GLY H 1 10 VAL HB 5.140 . 5.140 4.956 4.826 5.056 . 0 0 "[ . 1 . 2]" 1
363 1 8 CYS HB3 1 9 GLY H 4.670 . 4.670 4.222 4.077 4.317 . 0 0 "[ . 1 . 2]" 1
364 1 8 CYS HA 1 9 GLY H 3.090 . 3.090 2.148 2.118 2.186 . 0 0 "[ . 1 . 2]" 1
365 1 9 GLY H 1 10 VAL H 3.460 . 3.460 2.701 2.570 2.794 . 0 0 "[ . 1 . 2]" 1
366 1 8 CYS HB2 1 10 VAL H 4.860 . 4.860 4.524 4.354 4.639 . 0 0 "[ . 1 . 2]" 1
367 1 10 VAL H 1 11 CYS HA 5.580 . 5.580 5.146 5.058 5.210 . 0 0 "[ . 1 . 2]" 1
368 1 9 GLY H 1 11 CYS H 4.910 . 4.910 4.891 4.695 4.941 0.031 3 0 "[ . 1 . 2]" 1
369 1 22 ARG H 1 23 CYS H 3.300 . 3.300 2.280 2.180 2.367 . 0 0 "[ . 1 . 2]" 1
370 1 22 ARG H 1 22 ARG HB3 3.960 . 3.960 3.620 3.385 3.688 . 0 0 "[ . 1 . 2]" 1
371 1 22 ARG H 1 22 ARG QG 4.210 . 4.210 2.930 2.688 3.441 . 0 0 "[ . 1 . 2]" 1
372 1 20 CYS QB 1 22 ARG H 3.510 . 3.510 3.457 3.359 3.542 0.032 12 0 "[ . 1 . 2]" 1
373 1 8 CYS HB2 1 13 ILE H 4.570 . 4.570 3.934 3.092 4.331 . 0 0 "[ . 1 . 2]" 1
374 1 8 CYS H 1 16 PHE H 5.180 . 5.180 4.258 3.763 4.699 . 0 0 "[ . 1 . 2]" 1
375 1 16 PHE H 1 17 LYS H 5.540 . 5.540 4.561 4.477 4.610 . 0 0 "[ . 1 . 2]" 1
376 1 16 PHE H 1 16 PHE HB3 3.120 . 3.120 2.519 2.362 2.787 . 0 0 "[ . 1 . 2]" 1
377 1 15 GLU QB 1 16 PHE H 3.630 . 3.630 2.816 1.856 3.517 . 0 0 "[ . 1 . 2]" 1
378 1 17 LYS H 1 27 THR H 4.650 . 4.650 4.183 3.940 4.423 . 0 0 "[ . 1 . 2]" 1
379 1 17 LYS H 1 18 TYR H 2.880 . 2.880 1.613 1.562 1.667 . 0 0 "[ . 1 . 2]" 1
380 1 16 PHE HA 1 17 LYS H 3.260 . 3.260 2.324 2.243 2.391 . 0 0 "[ . 1 . 2]" 1
381 1 17 LYS H 1 18 TYR HB2 4.360 . 4.360 3.970 3.899 4.067 . 0 0 "[ . 1 . 2]" 1
382 1 17 LYS H 1 17 LYS HG3 4.800 . 4.800 4.743 4.701 4.783 . 0 0 "[ . 1 . 2]" 1
383 1 18 TYR QD 1 20 CYS H 6.000 . 6.000 6.018 5.806 6.061 0.061 10 0 "[ . 1 . 2]" 1
384 1 20 CYS H 1 26 GLN HA 4.630 . 4.630 3.976 3.655 4.246 . 0 0 "[ . 1 . 2]" 1
385 1 20 CYS H 1 21 PRO QD 5.160 . 5.160 4.233 4.189 4.278 . 0 0 "[ . 1 . 2]" 1
386 1 20 CYS H 1 24 LEU HA 5.390 . 5.390 4.127 3.973 4.348 . 0 0 "[ . 1 . 2]" 1
387 1 19 LYS QB 1 20 CYS H 4.590 . 4.590 3.964 3.934 3.988 . 0 0 "[ . 1 . 2]" 1
388 1 23 CYS H 1 25 VAL H 4.560 . 4.560 3.817 3.654 3.964 . 0 0 "[ . 1 . 2]" 1
389 1 20 CYS QB 1 23 CYS H 3.980 . 3.980 2.541 2.321 2.676 . 0 0 "[ . 1 . 2]" 1
390 1 22 ARG HB3 1 23 CYS H 3.650 . 3.650 3.325 2.769 3.602 . 0 0 "[ . 1 . 2]" 1
391 1 22 ARG HB2 1 23 CYS H 3.640 . 3.640 2.539 2.323 2.724 . 0 0 "[ . 1 . 2]" 1
392 1 22 ARG H 1 24 LEU H 4.130 . 4.130 3.339 3.215 3.533 . 0 0 "[ . 1 . 2]" 1
393 1 24 LEU H 1 24 LEU HA 2.870 . 2.870 2.248 2.242 2.254 . 0 0 "[ . 1 . 2]" 1
394 1 24 LEU H 1 24 LEU HB3 4.070 . 4.070 4.039 3.952 4.079 0.009 6 0 "[ . 1 . 2]" 1
395 1 23 CYS HB3 1 24 LEU H 4.300 . 4.300 4.044 3.890 4.215 . 0 0 "[ . 1 . 2]" 1
396 1 20 CYS QB 1 24 LEU H 3.600 . 3.600 2.645 2.510 2.907 . 0 0 "[ . 1 . 2]" 1
397 1 24 LEU H 1 24 LEU HG 3.930 . 3.930 3.401 3.260 4.228 0.298 16 0 "[ . 1 . 2]" 1
398 1 24 LEU H 1 25 VAL H 3.660 . 3.660 2.652 2.578 2.825 . 0 0 "[ . 1 . 2]" 1
399 1 25 VAL H 1 26 GLN H 4.290 . 4.290 4.408 4.354 4.462 0.172 11 0 "[ . 1 . 2]" 1
400 1 25 VAL H 1 25 VAL MG2 3.840 . 3.840 3.782 3.765 3.803 . 0 0 "[ . 1 . 2]" 1
401 1 25 VAL H 1 25 VAL HB 3.290 . 3.290 2.642 2.543 2.763 . 0 0 "[ . 1 . 2]" 1
402 1 20 CYS QB 1 25 VAL H 3.340 . 3.340 2.475 2.206 2.850 . 0 0 "[ . 1 . 2]" 1
403 1 23 CYS HB2 1 25 VAL H 5.180 . 5.180 2.357 2.186 2.551 . 0 0 "[ . 1 . 2]" 1
404 1 26 GLN H 1 26 GLN HB3 3.960 . 3.960 3.584 3.564 3.609 . 0 0 "[ . 1 . 2]" 1
405 1 26 GLN H 1 26 GLN HB2 3.460 . 3.460 2.454 2.381 2.541 . 0 0 "[ . 1 . 2]" 1
406 1 18 TYR H 1 27 THR H 3.950 . 3.950 3.365 3.095 3.504 . 0 0 "[ . 1 . 2]" 1
407 1 20 CYS H 1 27 THR H 4.100 . 4.100 3.817 3.699 4.016 . 0 0 "[ . 1 . 2]" 1
408 1 8 CYS HA 1 27 THR H 5.500 . 5.500 4.919 4.787 5.093 . 0 0 "[ . 1 . 2]" 1
409 1 16 PHE HA 1 27 THR H 6.000 . 6.000 4.964 4.551 5.250 . 0 0 "[ . 1 . 2]" 1
410 1 19 LYS HA 1 27 THR H 3.940 . 3.940 2.915 2.767 3.137 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLN HA 1 27 THR H 2.870 . 2.870 2.147 2.100 2.195 . 0 0 "[ . 1 . 2]" 1
412 1 26 GLN HB3 1 27 THR H 4.040 . 4.040 3.859 3.655 3.970 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLN HG3 1 27 THR H 5.130 . 5.130 5.052 4.915 5.190 0.060 8 0 "[ . 1 . 2]" 1
414 1 16 PHE HB3 1 27 THR H 5.120 . 5.120 5.013 4.481 5.195 0.075 13 0 "[ . 1 . 2]" 1
415 1 18 TYR HB2 1 27 THR H 4.090 . 4.090 3.009 2.893 3.137 . 0 0 "[ . 1 . 2]" 1
416 1 16 PHE HB2 1 27 THR H 3.730 . 3.730 3.570 3.170 3.739 0.009 1 0 "[ . 1 . 2]" 1
417 1 17 LYS H 1 28 CYS H 4.540 . 4.540 4.380 4.276 4.486 . 0 0 "[ . 1 . 2]" 1
418 1 27 THR HA 1 28 CYS H 2.890 . 2.890 2.314 2.256 2.393 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS H 1 28 CYS HB3 3.270 . 3.270 2.630 2.541 2.702 . 0 0 "[ . 1 . 2]" 1
420 1 29 SER H 1 33 SER H 4.150 . 4.150 4.093 4.012 4.163 0.013 12 0 "[ . 1 . 2]" 1
421 1 28 CYS H 1 29 SER H 3.150 . 3.150 2.347 2.224 2.455 . 0 0 "[ . 1 . 2]" 1
422 1 27 THR MG 1 29 SER H 3.980 . 3.980 4.056 3.975 4.091 0.111 17 0 "[ . 1 . 2]" 1
423 1 32 CYS H 1 34 LYS H 4.450 . 4.450 4.028 3.881 4.220 . 0 0 "[ . 1 . 2]" 1
424 1 32 CYS H 1 33 SER H 3.220 . 3.220 2.369 2.241 2.559 . 0 0 "[ . 1 . 2]" 1
425 1 32 CYS H 1 32 CYS QB . . 3.040 2.211 2.149 2.263 . 0 0 "[ . 1 . 2]" 1
426 1 33 SER H 1 35 LYS H 4.670 . 4.670 3.690 3.553 3.799 . 0 0 "[ . 1 . 2]" 1
427 1 31 GLU QB 1 33 SER H 5.110 . 5.110 4.501 4.335 4.788 . 0 0 "[ . 1 . 2]" 1
428 1 34 LYS H 1 35 LYS H 3.590 . 3.590 2.288 2.098 2.471 . 0 0 "[ . 1 . 2]" 1
429 1 32 CYS HA 1 35 LYS H 3.590 . 3.590 3.038 2.893 3.193 . 0 0 "[ . 1 . 2]" 1
430 1 10 VAL MG1 1 35 LYS H 4.990 . 4.990 4.455 4.234 4.720 . 0 0 "[ . 1 . 2]" 1
431 1 27 THR MG 1 35 LYS H 5.320 . 5.320 4.523 4.315 4.727 . 0 0 "[ . 1 . 2]" 1
432 1 36 HIS H 1 37 LYS H 3.720 . 3.720 2.511 2.416 2.590 . 0 0 "[ . 1 . 2]" 1
433 1 36 HIS H 1 36 HIS HB3 3.340 . 3.340 2.633 2.594 2.679 . 0 0 "[ . 1 . 2]" 1
434 1 36 HIS H 1 36 HIS HB2 3.820 . 3.820 3.640 3.609 3.668 . 0 0 "[ . 1 . 2]" 1
435 1 35 LYS QD 1 36 HIS H 5.870 . 5.870 4.805 4.703 4.985 . 0 0 "[ . 1 . 2]" 1
436 1 35 LYS HB3 1 36 HIS H 3.640 . 3.640 2.600 2.412 2.953 . 0 0 "[ . 1 . 2]" 1
437 1 35 LYS HB2 1 36 HIS H 3.750 . 3.750 3.674 2.945 3.813 0.063 16 0 "[ . 1 . 2]" 1
438 1 40 ASP H 1 40 ASP HB3 3.790 . 3.790 3.196 2.537 3.728 . 0 0 "[ . 1 . 2]" 1
439 1 40 ASP H 1 40 ASP HB2 3.790 . 3.790 2.666 2.420 3.119 . 0 0 "[ . 1 . 2]" 1
440 1 41 ASN H 1 41 ASN HB3 4.010 . 4.010 3.870 3.572 4.085 0.075 9 0 "[ . 1 . 2]" 1
441 1 40 ASP HB2 1 41 ASN H 4.710 . 4.710 3.907 3.521 4.353 . 0 0 "[ . 1 . 2]" 1
442 1 37 LYS HA 1 42 CYS H 3.990 . 3.990 2.242 1.921 2.645 . 0 0 "[ . 1 . 2]" 1
443 1 42 CYS H 1 42 CYS HB3 4.200 . 4.200 2.609 2.334 2.959 . 0 0 "[ . 1 . 2]" 1
444 1 42 CYS H 1 42 CYS HB2 4.200 . 4.200 2.951 2.506 3.417 . 0 0 "[ . 1 . 2]" 1
445 1 22 ARG H 1 22 ARG HB2 3.410 . 3.410 2.400 2.211 2.503 . 0 0 "[ . 1 . 2]" 1
446 1 21 PRO QD 1 22 ARG H 3.320 . 3.320 2.883 2.702 3.067 . 0 0 "[ . 1 . 2]" 1
447 1 21 PRO HG2 1 22 ARG H 4.220 . 4.220 2.892 2.702 3.002 . 0 0 "[ . 1 . 2]" 1
448 1 21 PRO HG3 1 22 ARG H 4.750 . 4.750 4.298 4.157 4.372 . 0 0 "[ . 1 . 2]" 1
449 1 37 LYS QB 1 42 CYS H 5.520 . 5.520 3.298 2.604 3.971 . 0 0 "[ . 1 . 2]" 1
450 1 6 VAL HA 1 7 LEU HG 4.380 . 4.380 4.313 4.109 5.783 1.403 7 1 "[ . + 1 . 2]" 1
451 1 6 VAL HA 1 16 PHE QD 4.220 . 4.220 4.227 4.070 4.324 0.104 19 0 "[ . 1 . 2]" 1
452 1 6 VAL HA 1 7 LEU H 3.420 . 3.420 2.357 2.143 2.668 . 0 0 "[ . 1 . 2]" 1
453 1 7 LEU HA 1 7 LEU HG 4.070 . 4.070 3.081 2.872 3.717 . 0 0 "[ . 1 . 2]" 1
454 1 10 VAL HA 1 25 VAL MG2 3.980 . 3.980 3.851 3.525 4.026 0.046 10 0 "[ . 1 . 2]" 1
455 1 10 VAL HB 1 11 CYS HB3 4.560 . 4.560 3.838 3.748 3.981 . 0 0 "[ . 1 . 2]" 1
456 1 10 VAL MG1 1 36 HIS HB2 5.830 . 5.830 5.537 5.272 5.845 0.015 14 0 "[ . 1 . 2]" 1
457 1 10 VAL MG2 1 36 HIS HB2 4.750 . 4.750 4.373 4.220 4.634 . 0 0 "[ . 1 . 2]" 1
458 1 11 CYS HA 1 11 CYS HB2 2.950 . 2.950 2.413 2.395 2.439 . 0 0 "[ . 1 . 2]" 1
459 1 10 VAL MG1 1 11 CYS HA 3.890 . 3.890 3.166 3.049 3.300 . 0 0 "[ . 1 . 2]" 1
460 1 13 ILE MD 1 14 LYS QE 5.430 . 5.430 3.678 2.114 4.164 . 0 0 "[ . 1 . 2]" 1
461 1 8 CYS H 1 15 GLU HA 4.500 . 4.500 3.592 3.106 4.020 . 0 0 "[ . 1 . 2]" 1
462 1 16 PHE HB2 1 26 GLN HB2 4.620 . 4.620 3.333 3.066 3.581 . 0 0 "[ . 1 . 2]" 1
463 1 18 TYR HA 1 18 TYR QE 4.820 . 4.820 4.755 4.707 4.801 . 0 0 "[ . 1 . 2]" 1
464 1 19 LYS HA 1 26 GLN HA 3.180 . 3.180 2.276 2.073 2.546 . 0 0 "[ . 1 . 2]" 1
465 1 19 LYS HA 1 26 GLN HG2 4.110 . 4.110 3.808 3.216 4.149 0.039 10 0 "[ . 1 . 2]" 1
466 1 19 LYS HA 1 19 LYS HG2 4.000 . 4.000 3.172 3.016 3.247 . 0 0 "[ . 1 . 2]" 1
467 1 19 LYS HA 1 19 LYS HG3 3.940 . 3.940 2.470 2.388 2.542 . 0 0 "[ . 1 . 2]" 1
468 1 19 LYS HA 1 20 CYS H 3.140 . 3.140 2.180 2.155 2.209 . 0 0 "[ . 1 . 2]" 1
469 1 19 LYS QB 1 21 PRO QD 5.530 . 5.530 5.050 4.868 5.206 . 0 0 "[ . 1 . 2]" 1
470 1 19 LYS QB 1 24 LEU HA 5.760 . 5.760 4.405 4.025 4.643 . 0 0 "[ . 1 . 2]" 1
471 1 16 PHE QD 1 19 LYS QB 5.480 . 5.480 3.752 3.521 3.881 . 0 0 "[ . 1 . 2]" 1
472 1 19 LYS QD 1 24 LEU QD 4.390 . 4.390 3.555 3.176 4.156 . 0 0 "[ . 1 . 2]" 1
473 1 16 PHE QE 1 19 LYS QD 4.420 . 4.420 4.224 3.625 4.457 0.037 15 0 "[ . 1 . 2]" 1
474 1 20 CYS HA 1 21 PRO HA 4.640 . 4.640 4.447 4.429 4.469 . 0 0 "[ . 1 . 2]" 1
475 1 22 ARG QG 1 23 CYS H 4.700 . 4.700 4.142 3.924 4.272 . 0 0 "[ . 1 . 2]" 1
476 1 22 ARG HB3 1 23 CYS HA 4.210 . 4.210 4.067 3.698 4.237 0.027 10 0 "[ . 1 . 2]" 1
477 1 22 ARG HB3 1 23 CYS HB3 5.800 . 5.800 5.730 5.076 5.924 0.124 17 0 "[ . 1 . 2]" 1
478 1 23 CYS HB3 1 24 LEU HB2 6.000 . 6.000 5.164 4.987 5.288 . 0 0 "[ . 1 . 2]" 1
479 1 19 LYS QE 1 24 LEU HA 5.060 . 5.060 4.267 3.648 4.871 . 0 0 "[ . 1 . 2]" 1
480 1 23 CYS HB3 1 24 LEU HA 6.000 . 6.000 5.577 5.408 5.721 . 0 0 "[ . 1 . 2]" 1
481 1 20 CYS QB 1 24 LEU HA 4.290 . 4.290 3.849 3.673 4.001 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU HA 1 24 LEU HG 3.740 . 3.740 3.481 3.433 3.600 . 0 0 "[ . 1 . 2]" 1
483 1 25 VAL HA 1 26 GLN HG3 4.610 . 4.610 3.652 3.443 3.813 . 0 0 "[ . 1 . 2]" 1
484 1 25 VAL HA 1 26 GLN H 2.770 . 2.770 2.070 2.041 2.088 . 0 0 "[ . 1 . 2]" 1
485 1 19 LYS HG2 1 26 GLN HA 4.910 . 4.910 4.644 4.458 4.917 0.007 18 0 "[ . 1 . 2]" 1
486 1 19 LYS HG3 1 26 GLN HA 4.710 . 4.710 3.156 2.958 3.382 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLN HA 1 26 GLN HG2 3.730 . 3.730 2.618 2.497 2.754 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLN HA 1 26 GLN HG3 3.870 . 3.870 3.007 2.835 3.198 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLN H 1 26 GLN HG2 4.500 . 4.500 3.546 3.317 3.761 . 0 0 "[ . 1 . 2]" 1
490 1 18 TYR QD 1 27 THR HA 6.000 . 6.000 5.524 5.437 5.652 . 0 0 "[ . 1 . 2]" 1
491 1 17 LYS H 1 27 THR HA 5.160 . 5.160 4.688 4.573 4.784 . 0 0 "[ . 1 . 2]" 1
492 1 27 THR HB 1 29 SER HA 5.010 . 5.010 4.749 4.650 4.837 . 0 0 "[ . 1 . 2]" 1
493 1 14 LYS QD 1 28 CYS HB3 4.260 . 4.260 3.633 3.099 4.417 0.157 18 0 "[ . 1 . 2]" 1
494 1 29 SER HA 1 30 LEU HA 4.580 . 4.580 4.312 4.226 4.390 . 0 0 "[ . 1 . 2]" 1
495 1 31 GLU HA 1 34 LYS HG3 4.590 . 4.590 3.578 2.359 4.143 . 0 0 "[ . 1 . 2]" 1
496 1 31 GLU HA 1 34 LYS H 4.140 . 4.140 3.783 3.563 4.045 . 0 0 "[ . 1 . 2]" 1
497 1 32 CYS HA 1 36 HIS H 4.900 . 4.900 4.506 4.355 4.779 . 0 0 "[ . 1 . 2]" 1
498 1 33 SER HA 1 36 HIS H 4.610 . 4.610 4.270 3.925 4.601 . 0 0 "[ . 1 . 2]" 1
499 1 34 LYS HA 1 34 LYS HG3 4.160 . 4.160 3.728 3.632 3.778 . 0 0 "[ . 1 . 2]" 1
500 1 34 LYS HA 1 37 LYS QD 3.350 . 3.350 1.965 1.800 2.207 . 0 0 "[ . 1 . 2]" 1
501 1 34 LYS QB 1 37 LYS QD 3.530 . 3.530 2.642 2.226 3.108 . 0 0 "[ . 1 . 2]" 1
502 1 31 GLU HA 1 34 LYS QE 4.600 . 4.600 2.363 1.853 4.456 . 0 0 "[ . 1 . 2]" 1
503 1 37 LYS HA 1 37 LYS HG3 4.040 . 4.040 3.123 3.054 3.196 . 0 0 "[ . 1 . 2]" 1
504 1 37 LYS HA 1 37 LYS HG2 4.040 . 4.040 2.537 2.448 2.630 . 0 0 "[ . 1 . 2]" 1
505 1 37 LYS H 1 38 THR HA 5.100 . 5.100 5.069 5.012 5.122 0.022 1 0 "[ . 1 . 2]" 1
506 1 38 THR MG 1 39 ARG QB 4.400 . 4.400 2.892 2.568 3.132 . 0 0 "[ . 1 . 2]" 1
507 1 37 LYS QD 1 44 GLY HA3 5.790 . 5.790 4.491 3.768 5.711 . 0 0 "[ . 1 . 2]" 1
508 1 45 GLN HA 1 45 GLN QG 3.720 . 3.720 2.631 2.375 3.348 . 0 0 "[ . 1 . 2]" 1
509 1 21 PRO QD 1 22 ARG QG 5.780 . 5.780 4.285 3.714 4.865 . 0 0 "[ . 1 . 2]" 1
510 1 18 TYR QD 1 21 PRO QD 6.000 . 6.000 5.698 5.529 5.931 . 0 0 "[ . 1 . 2]" 1
511 1 23 CYS HB2 1 24 LEU HA 6.000 . 6.000 4.749 4.630 4.908 . 0 0 "[ . 1 . 2]" 1
512 1 18 TYR H 1 18 TYR QD 3.700 . 3.700 2.495 2.256 2.704 . 0 0 "[ . 1 . 2]" 1
513 1 17 LYS H 1 18 TYR QE 5.070 . 5.070 5.078 4.947 5.148 0.078 11 0 "[ . 1 . 2]" 1
514 1 17 LYS QE 1 18 TYR QE 4.780 . 4.780 3.731 3.084 4.287 . 0 0 "[ . 1 . 2]" 1
515 1 18 TYR QE 1 30 LEU HG 4.370 . 4.370 3.246 2.596 4.529 0.159 17 0 "[ . 1 . 2]" 1
516 1 6 VAL HA 1 16 PHE QE 5.130 . 5.130 4.963 4.575 5.232 0.102 6 0 "[ . 1 . 2]" 1
517 1 16 PHE QE 1 17 LYS HA 4.800 . 4.800 4.398 4.270 4.573 . 0 0 "[ . 1 . 2]" 1
518 1 16 PHE QE 1 19 LYS QB 4.240 . 4.240 3.829 3.572 4.028 . 0 0 "[ . 1 . 2]" 1
519 1 16 PHE QE 1 26 GLN HB3 4.800 . 4.800 4.057 3.671 4.425 . 0 0 "[ . 1 . 2]" 1
520 1 6 VAL HB 1 16 PHE QE 3.960 . 3.960 2.852 2.547 3.190 . 0 0 "[ . 1 . 2]" 1
521 1 16 PHE HA 1 16 PHE QD 4.320 . 4.320 3.714 3.691 3.730 . 0 0 "[ . 1 . 2]" 1
522 1 16 PHE QD 1 26 GLN HG2 3.820 . 3.820 3.686 3.450 3.907 0.087 8 0 "[ . 1 . 2]" 1
523 1 16 PHE QD 1 18 TYR HB2 5.100 . 5.100 5.059 4.883 5.152 0.052 13 0 "[ . 1 . 2]" 1
524 1 36 HIS HE1 1 37 LYS QE 4.030 . 4.030 4.118 4.057 4.193 0.163 16 0 "[ . 1 . 2]" 1
525 1 27 THR MG 1 36 HIS HE1 3.410 . 3.410 3.508 3.480 3.565 0.155 17 0 "[ . 1 . 2]" 1
526 1 36 HIS HD2 1 37 LYS QE 4.560 . 4.560 4.211 4.009 4.604 0.044 6 0 "[ . 1 . 2]" 1
527 1 18 TYR QD 1 29 SER HB2 5.450 . 5.450 5.411 5.280 5.503 0.053 11 0 "[ . 1 . 2]" 1
528 1 18 TYR QD 1 30 LEU MD1 5.640 . 5.640 4.906 2.780 5.264 . 0 0 "[ . 1 . 2]" 1
529 1 33 SER H 1 33 SER HB3 3.740 . 3.740 3.449 2.587 3.606 . 0 0 "[ . 1 . 2]" 1
530 1 20 CYS QB 1 36 HIS HE1 4.430 . 4.430 1.856 1.796 1.918 . 0 0 "[ . 1 . 2]" 1
531 1 10 VAL H 1 11 CYS H 3.090 . 3.090 2.641 2.540 2.752 . 0 0 "[ . 1 . 2]" 1
532 1 16 PHE QD 1 27 THR H 4.390 . 4.390 4.275 3.793 4.428 0.038 6 0 "[ . 1 . 2]" 1
533 1 35 LYS H 1 36 HIS H 3.370 . 3.370 2.614 2.379 2.784 . 0 0 "[ . 1 . 2]" 1
534 1 20 CYS H 1 25 VAL H 4.460 . 4.460 3.487 3.235 3.728 . 0 0 "[ . 1 . 2]" 1
535 1 12 GLY H 1 13 ILE H 3.930 . 3.930 2.910 2.641 3.235 . 0 0 "[ . 1 . 2]" 1
536 1 28 CYS H 1 33 SER H 5.350 . 5.350 5.389 5.363 5.423 0.073 2 0 "[ . 1 . 2]" 1
537 1 8 CYS HA 1 27 THR HA 3.950 . 3.950 3.107 2.898 3.275 . 0 0 "[ . 1 . 2]" 1
538 1 27 THR HA 1 32 CYS QB 4.520 . 4.520 3.350 3.263 3.526 . 0 0 "[ . 1 . 2]" 1
539 1 27 THR HA 1 28 CYS HB3 4.860 . 4.860 4.405 4.303 4.561 . 0 0 "[ . 1 . 2]" 1
540 1 27 THR HA 1 27 THR MG 3.050 . 3.050 2.238 2.196 2.285 . 0 0 "[ . 1 . 2]" 1
541 1 27 THR HB 1 28 CYS H 3.080 . 3.080 2.628 2.442 2.808 . 0 0 "[ . 1 . 2]" 1
542 1 8 CYS H 1 8 CYS HB3 3.440 . 3.440 2.567 2.450 2.637 . 0 0 "[ . 1 . 2]" 1
543 1 8 CYS HB3 1 13 ILE H 4.120 . 4.120 2.821 2.190 3.074 . 0 0 "[ . 1 . 2]" 1
544 1 8 CYS HB3 1 12 GLY H 3.750 . 3.750 2.020 1.663 2.888 . 0 0 "[ . 1 . 2]" 1
545 1 28 CYS H 1 28 CYS HB2 3.680 . 3.680 3.623 3.601 3.656 . 0 0 "[ . 1 . 2]" 1
546 1 28 CYS H 1 32 CYS QB . . 3.630 2.781 2.660 2.881 . 0 0 "[ . 1 . 2]" 1
547 1 18 TYR HB3 1 27 THR H 4.560 . 4.560 4.029 3.874 4.186 . 0 0 "[ . 1 . 2]" 1
548 1 10 VAL H 1 25 VAL MG2 3.930 . 3.930 3.289 3.062 3.470 . 0 0 "[ . 1 . 2]" 1
549 1 9 GLY H 1 25 VAL MG2 4.110 . 4.110 2.909 2.800 3.006 . 0 0 "[ . 1 . 2]" 1
550 1 10 VAL H 1 25 VAL MG1 4.920 . 4.920 4.938 4.883 4.980 0.060 7 0 "[ . 1 . 2]" 1
551 1 20 CYS H 1 25 VAL MG1 3.690 . 3.690 2.895 2.751 3.058 . 0 0 "[ . 1 . 2]" 1
552 1 25 VAL MG1 1 36 HIS HE1 4.020 . 4.020 2.519 2.283 2.714 . 0 0 "[ . 1 . 2]" 1
553 1 26 GLN H 1 26 GLN HG3 3.900 . 3.900 2.266 2.053 2.438 . 0 0 "[ . 1 . 2]" 1
554 1 17 LYS H 1 28 CYS HA 3.400 . 3.400 2.479 2.202 2.714 . 0 0 "[ . 1 . 2]" 1
555 1 7 LEU HA 1 8 CYS H 3.140 . 3.140 2.182 2.060 2.481 . 0 0 "[ . 1 . 2]" 1
556 1 21 PRO QD 1 23 CYS H 5.240 . 5.240 4.367 4.212 4.503 . 0 0 "[ . 1 . 2]" 1
557 1 23 CYS H 1 24 LEU HA 5.650 . 5.650 4.516 4.372 4.671 . 0 0 "[ . 1 . 2]" 1
558 1 33 SER H 1 33 SER HB2 3.740 . 3.740 2.610 2.414 3.621 . 0 0 "[ . 1 . 2]" 1
559 1 37 LYS H 1 37 LYS QB 3.580 . 3.580 2.439 2.399 2.508 . 0 0 "[ . 1 . 2]" 1
560 1 37 LYS H 1 37 LYS QD 4.760 . 4.760 3.908 3.811 4.003 . 0 0 "[ . 1 . 2]" 1
561 1 37 LYS H 1 38 THR MG 4.030 . 4.030 3.809 3.555 4.037 0.007 15 0 "[ . 1 . 2]" 1
562 1 23 CYS HB2 1 24 LEU H 4.300 . 4.300 3.091 2.935 3.331 . 0 0 "[ . 1 . 2]" 1
563 1 13 ILE H 1 13 ILE HB 3.840 . 3.840 3.767 3.657 3.910 0.070 7 0 "[ . 1 . 2]" 1
564 1 6 VAL H 1 15 GLU QG 4.720 . 4.720 3.091 2.143 4.232 . 0 0 "[ . 1 . 2]" 1
565 1 34 LYS H 1 34 LYS QB 3.200 . 3.200 2.654 2.483 2.810 . 0 0 "[ . 1 . 2]" 1
566 1 13 ILE H 1 13 ILE HG13 3.790 . 3.790 2.081 1.789 2.326 . 0 0 "[ . 1 . 2]" 1
567 1 17 LYS QB 1 18 TYR H 4.070 . 4.070 3.015 2.834 3.175 . 0 0 "[ . 1 . 2]" 1
568 1 10 VAL MG2 1 36 HIS H 3.530 . 3.530 3.536 3.394 3.610 0.080 1 0 "[ . 1 . 2]" 1
569 1 25 VAL MG2 1 26 GLN H 3.850 . 3.850 2.754 2.566 2.877 . 0 0 "[ . 1 . 2]" 1
570 1 7 LEU QD 1 8 CYS H 4.130 . 4.130 3.124 2.912 3.360 . 0 0 "[ . 1 . 2]" 1
571 1 7 LEU H 1 7 LEU HB2 3.570 . 3.570 2.441 2.284 2.612 . 0 0 "[ . 1 . 2]" 1
572 1 32 CYS QB 1 33 SER H . . 3.600 2.940 2.858 3.022 . 0 0 "[ . 1 . 2]" 1
573 1 8 CYS H 1 8 CYS HB2 3.430 . 3.430 2.360 2.246 2.458 . 0 0 "[ . 1 . 2]" 1
574 1 24 LEU H 1 24 LEU QD 3.700 . 3.700 2.157 1.931 2.274 . 0 0 "[ . 1 . 2]" 1
575 1 23 CYS H 1 24 LEU QD 5.120 . 5.120 3.743 3.145 3.900 . 0 0 "[ . 1 . 2]" 1
576 1 25 VAL MG1 1 27 THR MG 3.340 . 3.340 2.035 1.937 2.136 . 0 0 "[ . 1 . 2]" 1
577 1 10 VAL MG2 1 25 VAL MG1 3.550 . 3.550 3.047 2.949 3.180 . 0 0 "[ . 1 . 2]" 1
578 1 37 LYS HA 1 42 CYS HB2 4.480 . 4.480 3.520 3.226 4.022 . 0 0 "[ . 1 . 2]" 1
579 1 16 PHE QD 1 18 TYR HA 4.500 . 4.500 4.191 3.996 4.418 . 0 0 "[ . 1 . 2]" 1
580 1 6 VAL QG 1 16 PHE QE 3.760 . 3.760 3.101 2.758 3.389 . 0 0 "[ . 1 . 2]" 1
581 1 16 PHE QE 1 26 GLN HG2 4.380 . 4.380 4.018 3.670 4.384 0.004 8 0 "[ . 1 . 2]" 1
582 1 16 PHE QD 1 26 GLN HB3 3.390 . 3.390 2.716 2.306 2.989 . 0 0 "[ . 1 . 2]" 1
583 1 17 LYS HG2 1 18 TYR QD 3.720 . 3.720 3.175 2.909 3.369 . 0 0 "[ . 1 . 2]" 1
584 1 8 CYS H 1 28 CYS H 6.000 . 6.000 5.300 5.110 5.503 . 0 0 "[ . 1 . 2]" 1
585 1 27 THR HB 1 33 SER H 3.690 . 3.690 3.314 3.139 3.495 . 0 0 "[ . 1 . 2]" 1
586 1 7 LEU HA 1 16 PHE H 4.020 . 4.020 3.761 2.519 4.099 0.079 19 0 "[ . 1 . 2]" 1
587 1 20 CYS H 1 20 CYS QB 3.490 . 3.490 2.288 2.269 2.304 . 0 0 "[ . 1 . 2]" 1
588 1 16 PHE HB2 1 18 TYR H 4.050 . 4.050 3.219 2.831 3.508 . 0 0 "[ . 1 . 2]" 1
589 1 25 VAL MG1 1 26 GLN H 4.200 . 4.200 3.984 3.837 4.070 . 0 0 "[ . 1 . 2]" 1
590 1 7 LEU HA 1 7 LEU QD 3.090 . 3.090 1.978 1.932 2.053 . 0 0 "[ . 1 . 2]" 1
591 1 27 THR MG 1 33 SER HA 2.810 . 2.810 1.992 1.902 2.110 . 0 0 "[ . 1 . 2]" 1
592 1 22 ARG QG 1 44 GLY HA2 3.590 . 3.590 3.301 2.585 3.543 . 0 0 "[ . 1 . 2]" 1
593 1 25 VAL HA 1 25 VAL MG2 3.190 . 3.190 2.346 2.325 2.380 . 0 0 "[ . 1 . 2]" 1
594 1 7 LEU HB3 1 7 LEU QD . . 3.270 2.118 2.049 2.377 . 0 0 "[ . 1 . 2]" 1
595 1 16 PHE HB2 1 26 GLN HB3 3.810 . 3.810 2.100 1.904 2.380 . 0 0 "[ . 1 . 2]" 1
596 1 37 LYS HA 1 42 CYS HB3 4.480 . 4.480 2.311 2.047 2.811 . 0 0 "[ . 1 . 2]" 1
597 1 16 PHE HB3 1 26 GLN HB2 4.060 . 4.060 3.133 2.874 3.355 . 0 0 "[ . 1 . 2]" 1
598 1 8 CYS HB2 1 28 CYS HB3 3.200 . 3.200 1.850 1.783 1.963 . 0 0 "[ . 1 . 2]" 1
599 1 1 GLY QA 1 2 PRO QD 3.310 . 3.310 1.998 1.914 2.086 . 0 0 "[ . 1 . 2]" 1
600 1 16 PHE HA 1 18 TYR H 4.530 . 4.530 3.743 3.580 3.895 . 0 0 "[ . 1 . 2]" 1
601 1 39 ARG HA 1 39 ARG HG2 3.850 . 3.850 3.702 3.636 3.766 . 0 0 "[ . 1 . 2]" 1
602 1 35 LYS H 1 35 LYS HB2 3.160 . 3.160 2.367 2.073 2.561 . 0 0 "[ . 1 . 2]" 1
603 1 13 ILE H 1 13 ILE MG 3.800 . 3.800 3.194 3.005 3.464 . 0 0 "[ . 1 . 2]" 1
604 1 13 ILE H 1 13 ILE MD 3.600 . 3.600 2.718 2.321 3.408 . 0 0 "[ . 1 . 2]" 1
605 1 40 ASP HB3 1 41 ASN H 4.710 . 4.710 3.862 3.289 4.296 . 0 0 "[ . 1 . 2]" 1
606 1 19 LYS HG2 1 24 LEU HA 4.430 . 4.430 2.471 2.039 2.706 . 0 0 "[ . 1 . 2]" 1
607 1 9 GLY HA3 1 25 VAL MG1 4.590 . 4.590 4.442 4.187 4.543 . 0 0 "[ . 1 . 2]" 1
608 1 10 VAL MG2 1 36 HIS HB3 3.680 . 3.680 2.954 2.799 3.170 . 0 0 "[ . 1 . 2]" 1
609 1 10 VAL MG1 1 36 HIS HB3 4.540 . 4.540 4.180 3.894 4.449 . 0 0 "[ . 1 . 2]" 1
610 1 20 CYS QB 1 27 THR MG 4.850 . 4.850 3.824 3.742 3.920 . 0 0 "[ . 1 . 2]" 1
611 1 10 VAL MG2 1 27 THR HB 4.710 . 4.710 4.028 3.939 4.136 . 0 0 "[ . 1 . 2]" 1
612 1 8 CYS HB3 1 12 GLY QA 4.270 . 4.270 2.803 2.348 3.817 . 0 0 "[ . 1 . 2]" 1
613 1 25 VAL MG2 1 26 GLN HA 4.810 . 4.810 4.164 4.114 4.216 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLN HA 1 27 THR MG 5.110 . 5.110 4.193 4.070 4.297 . 0 0 "[ . 1 . 2]" 1
615 1 16 PHE HB2 1 27 THR HA 4.710 . 4.710 4.148 3.913 4.320 . 0 0 "[ . 1 . 2]" 1
616 1 8 CYS HB2 1 27 THR HA 4.360 . 4.360 3.913 3.694 4.120 . 0 0 "[ . 1 . 2]" 1
617 1 16 PHE QD 1 19 LYS HG3 5.870 . 5.870 5.464 4.982 5.691 . 0 0 "[ . 1 . 2]" 1
618 1 16 PHE QE 1 19 LYS HG3 6.000 . 6.000 5.772 5.096 6.041 0.041 13 0 "[ . 1 . 2]" 1
619 1 5 ALA HA 1 6 VAL QG 3.530 . 3.530 3.438 3.188 3.605 0.075 14 0 "[ . 1 . 2]" 1
620 1 26 GLN HB2 1 27 THR H 4.420 . 4.420 4.421 4.328 4.460 0.040 2 0 "[ . 1 . 2]" 1
621 1 7 LEU QD 1 15 GLU QG 4.330 . 4.330 3.607 2.148 4.331 0.001 12 0 "[ . 1 . 2]" 1
622 1 17 LYS HG2 1 29 SER HA 4.770 . 4.770 4.809 4.752 4.856 0.086 13 0 "[ . 1 . 2]" 1
623 1 6 VAL QG 1 7 LEU H . . 4.230 2.197 1.746 2.715 . 0 0 "[ . 1 . 2]" 1
624 1 25 VAL HB 1 36 HIS HE1 5.660 . 5.660 5.093 4.767 5.363 . 0 0 "[ . 1 . 2]" 1
625 1 35 LYS H 1 35 LYS HB3 3.530 . 3.530 2.711 2.546 3.367 . 0 0 "[ . 1 . 2]" 1
626 1 19 LYS QE 1 24 LEU QD 4.260 . 4.260 3.667 3.115 4.115 . 0 0 "[ . 1 . 2]" 1
627 1 17 LYS H 1 28 CYS HB2 5.120 . 5.120 4.859 4.560 5.116 . 0 0 "[ . 1 . 2]" 1
628 1 17 LYS HG2 1 18 TYR QE 4.210 . 4.210 3.022 2.857 3.209 . 0 0 "[ . 1 . 2]" 1
629 1 36 HIS HB2 1 40 ASP H 5.050 . 5.050 4.404 3.914 5.058 0.008 7 0 "[ . 1 . 2]" 1
630 1 18 TYR QD 1 30 LEU HG 5.650 . 5.650 4.607 4.061 5.666 0.016 2 0 "[ . 1 . 2]" 1
631 1 35 LYS HB3 1 35 LYS QE 4.450 . 4.450 4.314 4.059 4.481 0.031 7 0 "[ . 1 . 2]" 1
632 1 13 ILE MD 1 14 LYS HG3 3.770 . 3.770 3.291 2.339 3.523 . 0 0 "[ . 1 . 2]" 1
633 1 14 LYS QB 1 14 LYS QE 3.430 . 3.430 2.210 1.905 3.608 0.178 18 0 "[ . 1 . 2]" 1
634 1 37 LYS HA 1 40 ASP H 4.900 . 4.900 3.531 3.209 3.861 . 0 0 "[ . 1 . 2]" 1
635 1 27 THR HB 1 32 CYS H 4.250 . 4.250 3.913 3.771 4.103 . 0 0 "[ . 1 . 2]" 1
636 1 29 SER HB3 1 32 CYS H 4.510 . 4.510 4.368 4.159 4.572 0.062 8 0 "[ . 1 . 2]" 1
637 1 8 CYS HB2 1 9 GLY H 4.530 . 4.530 4.269 4.166 4.347 . 0 0 "[ . 1 . 2]" 1
638 1 7 LEU HB2 1 8 CYS H 4.430 . 4.430 3.966 3.281 4.178 . 0 0 "[ . 1 . 2]" 1
639 1 25 VAL HA 1 26 GLN HB2 4.760 . 4.760 4.494 4.426 4.581 . 0 0 "[ . 1 . 2]" 1
640 1 16 PHE HA 1 28 CYS HA 4.500 . 4.500 2.166 1.911 2.469 . 0 0 "[ . 1 . 2]" 1
641 1 18 TYR HB2 1 29 SER HA 4.790 . 4.790 4.659 4.462 4.810 0.020 9 0 "[ . 1 . 2]" 1
642 1 27 THR H 1 27 THR MG 3.720 . 3.720 2.825 2.601 3.162 . 0 0 "[ . 1 . 2]" 1
643 1 17 LYS QB 1 28 CYS HA 4.680 . 4.680 3.061 2.677 3.372 . 0 0 "[ . 1 . 2]" 1
644 1 16 PHE HB3 1 26 GLN HB3 4.140 . 4.140 2.519 2.209 2.884 . 0 0 "[ . 1 . 2]" 1
645 1 17 LYS QB 1 17 LYS HG2 2.550 . 2.550 2.315 2.296 2.343 . 0 0 "[ . 1 . 2]" 1
646 1 13 ILE HG13 1 13 ILE MG 3.550 . 3.550 2.542 2.475 2.691 . 0 0 "[ . 1 . 2]" 1
647 1 14 LYS QD 1 28 CYS HB2 3.580 . 3.580 2.502 2.000 3.635 0.055 2 0 "[ . 1 . 2]" 1
648 1 8 CYS HB2 1 12 GLY H 4.780 . 4.780 3.746 3.406 4.544 . 0 0 "[ . 1 . 2]" 1
649 1 11 CYS HB3 1 12 GLY H 5.450 . 5.450 4.029 3.873 4.345 . 0 0 "[ . 1 . 2]" 1
650 1 11 CYS HB2 1 13 ILE HG13 4.340 . 4.340 2.872 2.591 3.144 . 0 0 "[ . 1 . 2]" 1
651 1 8 CYS HA 1 27 THR MG 5.460 . 5.460 4.642 4.463 4.776 . 0 0 "[ . 1 . 2]" 1
652 1 22 ARG HB2 1 24 LEU H 4.710 . 4.710 4.640 4.492 4.781 0.071 16 0 "[ . 1 . 2]" 1
653 1 37 LYS H 1 38 THR HB 4.600 . 4.600 4.652 4.609 4.692 0.092 16 0 "[ . 1 . 2]" 1
654 1 34 LYS HA 1 37 LYS H 4.560 . 4.560 3.282 2.994 3.656 . 0 0 "[ . 1 . 2]" 1
655 1 8 CYS H 1 28 CYS HB3 4.590 . 4.590 3.870 3.655 4.028 . 0 0 "[ . 1 . 2]" 1
656 1 21 PRO HB2 1 22 ARG H 4.170 . 4.170 3.563 3.287 3.725 . 0 0 "[ . 1 . 2]" 1
657 1 24 LEU H 1 24 LEU HB2 3.850 . 3.850 3.635 3.531 3.675 . 0 0 "[ . 1 . 2]" 1
658 1 35 LYS H 1 35 LYS QD 4.270 . 4.270 4.071 3.300 4.332 0.062 15 0 "[ . 1 . 2]" 1
659 1 16 PHE QD 1 19 LYS HA 5.050 . 5.050 4.825 4.660 4.972 . 0 0 "[ . 1 . 2]" 1
660 1 16 PHE QD 1 18 TYR H 3.630 . 3.630 2.961 2.724 3.240 . 0 0 "[ . 1 . 2]" 1
661 1 19 LYS QB 1 21 PRO HA 5.660 . 5.660 5.294 5.143 5.437 . 0 0 "[ . 1 . 2]" 1
662 1 21 PRO HA 1 22 ARG QG 6.000 . 6.000 5.036 4.836 5.605 . 0 0 "[ . 1 . 2]" 1
663 1 23 CYS H 1 24 LEU H 3.000 . 3.000 2.309 2.194 2.454 . 0 0 "[ . 1 . 2]" 1
664 1 6 VAL H 1 7 LEU H 4.470 . 4.470 4.353 4.269 4.502 0.032 11 0 "[ . 1 . 2]" 1
665 1 41 ASN H 1 42 CYS H 4.130 . 4.130 2.979 2.509 3.630 . 0 0 "[ . 1 . 2]" 1
666 1 18 TYR QD 1 28 CYS H 5.100 . 5.100 4.862 4.632 5.098 . 0 0 "[ . 1 . 2]" 1
667 1 18 TYR QD 1 27 THR H 4.990 . 4.990 4.747 4.622 4.834 . 0 0 "[ . 1 . 2]" 1
668 1 25 VAL H 1 36 HIS HE1 5.030 . 5.030 4.721 4.474 4.925 . 0 0 "[ . 1 . 2]" 1
669 1 9 GLY H 1 26 GLN H 5.000 . 5.000 3.781 3.489 4.096 . 0 0 "[ . 1 . 2]" 1
670 1 19 LYS HG3 1 26 GLN H 4.950 . 4.950 3.970 3.679 4.395 . 0 0 "[ . 1 . 2]" 1
671 1 38 THR MG 1 40 ASP H 4.560 . 4.560 4.493 4.187 4.625 0.065 4 0 "[ . 1 . 2]" 1
672 1 18 TYR QD 1 27 THR HB 4.610 . 4.610 4.352 4.220 4.515 . 0 0 "[ . 1 . 2]" 1
673 1 15 GLU QB 1 16 PHE QD 5.150 . 5.150 4.295 3.489 4.977 . 0 0 "[ . 1 . 2]" 1
674 1 10 VAL MG2 1 27 THR HA 4.510 . 4.510 3.625 3.515 3.721 . 0 0 "[ . 1 . 2]" 1
675 1 25 VAL MG1 1 27 THR HA 5.360 . 5.360 4.398 4.307 4.471 . 0 0 "[ . 1 . 2]" 1
676 1 25 VAL MG1 1 27 THR H 5.380 . 5.380 3.806 3.622 4.197 . 0 0 "[ . 1 . 2]" 1
677 1 7 LEU HG 1 8 CYS H 5.250 . 5.250 4.833 4.249 5.084 . 0 0 "[ . 1 . 2]" 1
678 1 25 VAL HB 1 26 GLN H 4.770 . 4.770 4.224 4.150 4.264 . 0 0 "[ . 1 . 2]" 1
679 1 13 ILE H 1 14 LYS QD 6.000 . 6.000 5.371 4.605 5.954 . 0 0 "[ . 1 . 2]" 1
680 1 32 CYS H 1 35 LYS HB3 6.000 . 6.000 5.455 5.220 6.050 0.050 20 0 "[ . 1 . 2]" 1
681 1 17 LYS H 1 18 TYR HA 4.820 . 4.820 4.410 4.351 4.458 . 0 0 "[ . 1 . 2]" 1
682 1 26 GLN H 1 27 THR H 5.520 . 5.520 4.199 4.115 4.364 . 0 0 "[ . 1 . 2]" 1
683 1 11 CYS HA 1 13 ILE H 6.000 . 6.000 5.024 4.656 5.613 . 0 0 "[ . 1 . 2]" 1
684 1 24 LEU HB3 1 25 VAL H 4.940 . 4.940 4.406 4.291 4.463 . 0 0 "[ . 1 . 2]" 1
685 1 10 VAL HB 1 33 SER H 6.000 . 6.000 5.921 5.828 6.009 0.009 16 0 "[ . 1 . 2]" 1
686 1 8 CYS H 1 15 GLU QG 6.000 . 6.000 5.405 4.793 6.000 0.000 8 0 "[ . 1 . 2]" 1
687 1 16 PHE HB3 1 27 THR HA 5.360 . 5.360 4.911 4.406 5.154 . 0 0 "[ . 1 . 2]" 1
688 1 36 HIS H 1 36 HIS HE1 4.900 . 4.900 4.883 4.725 5.013 0.113 6 0 "[ . 1 . 2]" 1
689 1 25 VAL HA 1 26 GLN HA 5.220 . 5.220 4.338 4.287 4.373 . 0 0 "[ . 1 . 2]" 1
690 1 8 CYS HB3 1 14 LYS QD 6.000 . 6.000 5.694 5.102 6.072 0.072 2 0 "[ . 1 . 2]" 1
691 1 36 HIS HA 1 37 LYS HA 4.870 . 4.870 4.734 4.692 4.783 . 0 0 "[ . 1 . 2]" 1
692 1 7 LEU HA 1 8 CYS HB3 4.960 . 4.960 4.677 4.495 4.974 0.014 13 0 "[ . 1 . 2]" 1
693 1 36 HIS H 1 37 LYS QE 5.230 . 5.230 5.082 4.963 5.221 . 0 0 "[ . 1 . 2]" 1
694 1 12 GLY H 1 13 ILE MG 4.860 . 4.860 4.674 4.563 4.813 . 0 0 "[ . 1 . 2]" 1
695 1 10 VAL MG2 1 35 LYS H 5.180 . 5.180 4.208 3.936 4.453 . 0 0 "[ . 1 . 2]" 1
696 1 25 VAL MG1 1 27 THR HB 5.610 . 5.610 4.738 4.597 4.898 . 0 0 "[ . 1 . 2]" 1
697 1 34 LYS HA 1 37 LYS QB 3.820 . 3.820 2.796 2.373 3.252 . 0 0 "[ . 1 . 2]" 1
698 1 30 LEU HA 1 30 LEU HG 3.880 . 3.880 3.089 2.694 3.690 . 0 0 "[ . 1 . 2]" 1
699 1 22 ARG HB2 1 44 GLY HA2 4.410 . 4.410 3.560 2.492 4.418 0.008 19 0 "[ . 1 . 2]" 1
700 1 9 GLY HA3 1 25 VAL MG2 4.610 . 4.610 1.964 1.843 2.059 . 0 0 "[ . 1 . 2]" 1
701 1 39 ARG QB 1 39 ARG HD3 3.790 . 3.790 2.758 2.352 3.296 . 0 0 "[ . 1 . 2]" 1
702 1 10 VAL HB 1 11 CYS HB2 5.430 . 5.430 5.339 5.274 5.431 0.001 7 0 "[ . 1 . 2]" 1
703 1 37 LYS QB 1 37 LYS QD 3.160 . 3.160 2.133 2.112 2.155 . 0 0 "[ . 1 . 2]" 1
704 1 37 LYS HA 1 38 THR HA 4.720 . 4.720 4.661 4.588 4.724 0.004 6 0 "[ . 1 . 2]" 1
705 1 19 LYS HG3 1 24 LEU QD . . 4.680 4.108 3.779 4.371 . 0 0 "[ . 1 . 2]" 1
706 1 29 SER HA 1 32 CYS H 5.140 . 5.140 4.797 4.701 4.975 . 0 0 "[ . 1 . 2]" 1
707 1 23 CYS HA 1 25 VAL H 5.190 . 5.190 4.080 3.884 4.283 . 0 0 "[ . 1 . 2]" 1
708 1 16 PHE QD 1 17 LYS HG2 5.990 . 5.990 5.857 5.784 5.951 . 0 0 "[ . 1 . 2]" 1
709 1 28 CYS H 1 29 SER HA 5.390 . 5.390 4.999 4.920 5.076 . 0 0 "[ . 1 . 2]" 1
710 1 8 CYS HA 1 10 VAL H 4.950 . 4.950 3.751 3.583 3.873 . 0 0 "[ . 1 . 2]" 1
711 1 24 LEU QD 1 25 VAL H 5.160 . 5.160 4.050 3.602 4.111 . 0 0 "[ . 1 . 2]" 1
712 1 11 CYS HB2 1 12 GLY H 5.200 . 5.200 4.007 3.825 4.268 . 0 0 "[ . 1 . 2]" 1
713 1 36 HIS HB3 1 37 LYS H 5.940 . 5.940 4.270 4.194 4.359 . 0 0 "[ . 1 . 2]" 1
714 1 12 GLY QA 1 13 ILE HA 5.100 . 5.100 3.952 3.913 4.003 . 0 0 "[ . 1 . 2]" 1
715 1 44 GLY HA2 1 45 GLN HA 5.660 . 5.660 4.389 4.308 4.497 . 0 0 "[ . 1 . 2]" 1
716 1 9 GLY HA2 1 25 VAL MG1 5.880 . 5.880 5.885 5.640 5.980 0.100 18 0 "[ . 1 . 2]" 1
717 1 6 VAL HA 1 7 LEU QD 5.320 . 5.320 4.288 2.848 4.606 . 0 0 "[ . 1 . 2]" 1
718 1 21 PRO HG2 1 22 ARG HA 5.580 . 5.580 4.736 4.512 4.979 . 0 0 "[ . 1 . 2]" 1
719 1 20 CYS QB 1 25 VAL HB 4.610 . 4.610 4.176 3.961 4.427 . 0 0 "[ . 1 . 2]" 1
720 1 11 CYS HB2 1 13 ILE HG12 4.370 . 4.370 3.348 3.164 3.482 . 0 0 "[ . 1 . 2]" 1
721 1 19 LYS QE 1 26 GLN HG2 5.020 . 5.020 3.747 2.303 4.845 . 0 0 "[ . 1 . 2]" 1
722 1 11 CYS HB3 1 13 ILE MD 4.760 . 4.760 4.491 4.177 4.692 . 0 0 "[ . 1 . 2]" 1
723 1 7 LEU QD 1 14 LYS QB 4.770 . 4.770 4.053 3.804 4.595 . 0 0 "[ . 1 . 2]" 1
724 1 25 VAL MG1 1 26 GLN HB2 5.860 . 5.860 5.669 5.578 5.785 . 0 0 "[ . 1 . 2]" 1
725 1 13 ILE MD 1 14 LYS QD 4.680 . 4.680 2.725 2.201 3.685 . 0 0 "[ . 1 . 2]" 1
726 1 19 LYS HA 1 26 GLN HG3 5.010 . 5.010 4.320 3.937 4.737 . 0 0 "[ . 1 . 2]" 1
727 1 29 SER HA 1 32 CYS QB 5.130 . 5.130 4.956 4.872 5.001 . 0 0 "[ . 1 . 2]" 1
728 1 37 LYS H 1 40 ASP H 5.260 . 5.260 4.692 4.545 4.906 . 0 0 "[ . 1 . 2]" 1
729 1 35 LYS H 1 37 LYS H 5.280 . 5.280 3.781 3.697 3.856 . 0 0 "[ . 1 . 2]" 1
730 1 8 CYS H 1 9 GLY H 5.160 . 5.160 4.514 4.455 4.562 . 0 0 "[ . 1 . 2]" 1
731 1 29 SER HA 1 33 SER H 5.530 . 5.530 5.292 5.178 5.432 . 0 0 "[ . 1 . 2]" 1
732 1 7 LEU HA 1 16 PHE QD 4.920 . 4.920 4.670 3.757 5.187 0.267 20 0 "[ . 1 . 2]" 1
733 1 9 GLY HA3 1 26 GLN H 5.240 . 5.240 3.758 3.300 4.259 . 0 0 "[ . 1 . 2]" 1
734 1 23 CYS HB3 1 25 VAL H 5.180 . 5.180 3.075 2.821 3.485 . 0 0 "[ . 1 . 2]" 1
735 1 19 LYS HG3 1 20 CYS H 5.600 . 5.600 3.820 3.608 4.063 . 0 0 "[ . 1 . 2]" 1
736 1 8 CYS HA 1 28 CYS HB3 5.050 . 5.050 3.954 3.736 4.115 . 0 0 "[ . 1 . 2]" 1
737 1 44 GLY HA3 1 45 GLN QG 6.000 . 6.000 4.721 3.475 6.123 0.123 10 0 "[ . 1 . 2]" 1
738 1 34 LYS QB 1 34 LYS QE 4.500 . 4.500 3.184 1.912 3.666 . 0 0 "[ . 1 . 2]" 1
739 1 11 CYS HB3 1 13 ILE HG12 4.830 . 4.830 4.813 4.600 4.902 0.072 8 0 "[ . 1 . 2]" 1
740 1 13 ILE MD 1 14 LYS HG2 3.770 . 3.770 1.914 1.791 2.231 . 0 0 "[ . 1 . 2]" 1
741 1 5 ALA MB 1 6 VAL QG 4.240 . 4.240 4.010 3.867 4.168 . 0 0 "[ . 1 . 2]" 1
742 1 7 LEU QD 1 13 ILE MD 4.250 . 4.250 4.240 4.166 4.282 0.032 7 0 "[ . 1 . 2]" 1
743 1 7 LEU QD 1 13 ILE MG 5.050 . 5.050 4.084 3.131 4.454 . 0 0 "[ . 1 . 2]" 1
744 1 35 LYS HB3 1 38 THR MG 5.280 . 5.280 4.975 4.257 5.302 0.022 10 0 "[ . 1 . 2]" 1
745 1 8 CYS HB3 1 28 CYS HB2 5.170 . 5.170 4.922 4.640 5.115 . 0 0 "[ . 1 . 2]" 1
746 1 8 CYS HB2 1 28 CYS HB2 3.870 . 3.870 3.561 3.477 3.682 . 0 0 "[ . 1 . 2]" 1
747 1 5 ALA H 1 6 VAL QG 4.700 . 4.700 4.475 4.111 4.667 . 0 0 "[ . 1 . 2]" 1
748 1 9 GLY H 1 10 VAL MG2 4.620 . 4.620 4.087 3.971 4.196 . 0 0 "[ . 1 . 2]" 1
749 1 10 VAL MG2 1 28 CYS H 4.870 . 4.870 4.703 4.597 4.818 . 0 0 "[ . 1 . 2]" 1
750 1 37 LYS HA 1 41 ASN H 4.850 . 4.850 3.504 2.972 3.761 . 0 0 "[ . 1 . 2]" 1
751 1 38 THR HA 1 41 ASN H 4.230 . 4.230 4.226 4.023 4.315 0.085 1 0 "[ . 1 . 2]" 1
752 1 2 PRO HB2 1 4 MET QG 2.860 . 2.860 2.327 1.939 2.864 0.004 20 0 "[ . 1 . 2]" 1
753 1 4 MET HA 1 4 MET QG 3.360 . 3.360 3.011 2.403 3.356 . 0 0 "[ . 1 . 2]" 1
754 1 5 ALA MB 1 26 GLN QE 5.810 . 5.810 5.760 5.338 5.961 0.151 13 0 "[ . 1 . 2]" 1
755 1 6 VAL HA 1 26 GLN QE 4.910 . 4.910 4.751 4.438 4.979 0.069 3 0 "[ . 1 . 2]" 1
756 1 6 VAL HB 1 26 GLN QE 4.640 . 4.640 2.402 1.930 2.778 . 0 0 "[ . 1 . 2]" 1
757 1 6 VAL QG 1 26 GLN QE 4.070 . 4.070 2.121 1.798 2.623 . 0 0 "[ . 1 . 2]" 1
758 1 7 LEU QD 1 14 LYS QG 4.630 . 4.630 4.194 3.947 4.522 . 0 0 "[ . 1 . 2]" 1
759 1 10 VAL MG1 1 35 LYS QG 4.050 . 4.050 2.426 1.951 3.548 . 0 0 "[ . 1 . 2]" 1
760 1 13 ILE H 1 14 LYS QG 4.380 . 4.380 3.722 3.067 4.182 . 0 0 "[ . 1 . 2]" 1
761 1 13 ILE HB 1 14 LYS QG 4.990 . 4.990 4.526 4.068 4.859 . 0 0 "[ . 1 . 2]" 1
762 1 14 LYS HA 1 14 LYS QG 3.530 . 3.530 3.355 3.328 3.396 . 0 0 "[ . 1 . 2]" 1
763 1 14 LYS QG 1 15 GLU H 4.200 . 4.200 3.050 1.634 4.010 . 0 0 "[ . 1 . 2]" 1
764 1 14 LYS QG 1 15 GLU QB 5.340 . 5.340 3.983 2.959 4.614 . 0 0 "[ . 1 . 2]" 1
765 1 14 LYS QG 1 28 CYS HB2 4.740 . 4.740 2.393 2.019 3.017 . 0 0 "[ . 1 . 2]" 1
766 1 16 PHE QD 1 26 GLN QE 4.320 . 4.320 3.067 2.725 3.909 . 0 0 "[ . 1 . 2]" 1
767 1 16 PHE QE 1 26 GLN QE 4.540 . 4.540 2.952 2.670 4.053 . 0 0 "[ . 1 . 2]" 1
768 1 17 LYS QD 1 30 LEU QD 5.920 . 5.920 5.696 5.370 5.968 0.048 13 0 "[ . 1 . 2]" 1
769 1 18 TYR QD 1 30 LEU QB 5.810 . 5.810 5.193 4.444 5.471 . 0 0 "[ . 1 . 2]" 1
770 1 18 TYR QD 1 30 LEU QD 4.200 . 4.200 2.988 2.770 3.093 . 0 0 "[ . 1 . 2]" 1
771 1 18 TYR QD 1 33 SER QB 4.630 . 4.630 4.317 3.644 4.704 0.074 1 0 "[ . 1 . 2]" 1
772 1 18 TYR QE 1 29 SER QB 4.820 . 4.820 3.784 3.600 3.952 . 0 0 "[ . 1 . 2]" 1
773 1 18 TYR QE 1 30 LEU QD 3.560 . 3.560 2.226 1.890 2.391 . 0 0 "[ . 1 . 2]" 1
774 1 19 LYS H 1 30 LEU QD 5.800 . 5.800 5.752 5.447 5.837 0.037 17 0 "[ . 1 . 2]" 1
775 1 20 CYS QB 1 23 CYS QB 4.380 . 4.380 2.075 1.964 2.222 . 0 0 "[ . 1 . 2]" 1
776 1 21 PRO QD 1 30 LEU QD 5.920 . 5.920 5.748 5.279 5.975 0.055 8 0 "[ . 1 . 2]" 1
777 1 22 ARG HA 1 22 ARG QD 4.160 . 4.160 4.072 3.809 4.179 0.019 19 0 "[ . 1 . 2]" 1
778 1 22 ARG HB2 1 22 ARG QD 3.380 . 3.380 2.586 2.463 2.880 . 0 0 "[ . 1 . 2]" 1
779 1 22 ARG HB2 1 23 CYS QB 5.690 . 5.690 4.420 4.209 4.644 . 0 0 "[ . 1 . 2]" 1
780 1 22 ARG HB3 1 22 ARG QD 3.390 . 3.390 2.705 2.200 3.037 . 0 0 "[ . 1 . 2]" 1
781 1 22 ARG HB3 1 23 CYS QB 5.060 . 5.060 4.903 4.300 5.070 0.010 17 0 "[ . 1 . 2]" 1
782 1 22 ARG QD 1 43 SER H 3.940 . 3.940 2.701 1.810 3.553 . 0 0 "[ . 1 . 2]" 1
783 1 22 ARG QD 1 45 GLN H 4.400 . 4.400 2.893 1.814 3.609 . 0 0 "[ . 1 . 2]" 1
784 1 22 ARG QD 1 45 GLN QB 5.610 . 5.610 4.542 2.754 5.599 . 0 0 "[ . 1 . 2]" 1
785 1 23 CYS H 1 23 CYS QB 3.640 . 3.640 2.481 2.443 2.551 . 0 0 "[ . 1 . 2]" 1
786 1 23 CYS HA 1 23 CYS QB 2.550 . 2.550 2.348 2.335 2.367 . 0 0 "[ . 1 . 2]" 1
787 1 23 CYS QB 1 24 LEU HA 5.160 . 5.160 4.500 4.380 4.641 . 0 0 "[ . 1 . 2]" 1
788 1 23 CYS QB 1 25 VAL H 4.540 . 4.540 2.284 2.115 2.485 . 0 0 "[ . 1 . 2]" 1
789 1 23 CYS QB 1 25 VAL HA 5.010 . 5.010 4.275 4.096 4.425 . 0 0 "[ . 1 . 2]" 1
790 1 23 CYS QB 1 25 VAL MG1 4.550 . 4.550 1.891 1.837 1.943 . 0 0 "[ . 1 . 2]" 1
791 1 23 CYS QB 1 25 VAL MG2 5.020 . 5.020 3.920 3.779 4.037 . 0 0 "[ . 1 . 2]" 1
792 1 26 GLN HB2 1 26 GLN QE 4.050 . 4.050 2.897 1.771 3.563 . 0 0 "[ . 1 . 2]" 1
793 1 26 GLN HB3 1 26 GLN QE 4.190 . 4.190 2.597 1.869 3.509 . 0 0 "[ . 1 . 2]" 1
794 1 27 THR MG 1 33 SER QB 4.220 . 4.220 3.504 2.745 3.680 . 0 0 "[ . 1 . 2]" 1
795 1 29 SER H 1 29 SER QB 3.630 . 3.630 2.983 2.866 3.275 . 0 0 "[ . 1 . 2]" 1
796 1 29 SER HA 1 30 LEU QD 5.270 . 5.270 4.538 4.369 4.859 . 0 0 "[ . 1 . 2]" 1
797 1 29 SER QB 1 31 GLU H 3.290 . 3.290 2.582 2.333 2.754 . 0 0 "[ . 1 . 2]" 1
798 1 29 SER QB 1 31 GLU QB 5.580 . 5.580 2.959 2.501 3.791 . 0 0 "[ . 1 . 2]" 1
799 1 29 SER QB 1 31 GLU QG 5.620 . 5.620 4.372 1.903 5.035 . 0 0 "[ . 1 . 2]" 1
800 1 30 LEU HA 1 30 LEU QD 3.140 . 3.140 1.983 1.849 2.078 . 0 0 "[ . 1 . 2]" 1
801 1 30 LEU QB 1 30 LEU QD 2.730 . 2.730 1.957 1.923 2.062 . 0 0 "[ . 1 . 2]" 1
802 1 30 LEU QB 1 31 GLU QB 4.530 . 4.530 4.193 4.006 4.409 . 0 0 "[ . 1 . 2]" 1
803 1 30 LEU QD 1 31 GLU H 4.530 . 4.530 4.125 3.771 4.268 . 0 0 "[ . 1 . 2]" 1
804 1 30 LEU QD 1 33 SER QB 4.770 . 4.770 2.610 1.958 3.358 . 0 0 "[ . 1 . 2]" 1
805 1 30 LEU QD 1 34 LYS H 5.920 . 5.920 4.378 2.893 4.895 . 0 0 "[ . 1 . 2]" 1
806 1 30 LEU QD 1 34 LYS QB 5.030 . 5.030 4.063 2.490 4.647 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU QD 1 37 LYS QE 5.170 . 5.170 4.652 3.389 5.185 0.015 20 0 "[ . 1 . 2]" 1
808 1 31 GLU H 1 31 GLU QG 4.650 . 4.650 3.765 1.807 4.055 . 0 0 "[ . 1 . 2]" 1
809 1 31 GLU HA 1 31 GLU QG 3.120 . 3.120 2.710 2.360 3.278 0.158 17 0 "[ . 1 . 2]" 1
810 1 31 GLU HA 1 34 LYS QG 3.770 . 3.770 2.406 2.122 2.722 . 0 0 "[ . 1 . 2]" 1
811 1 31 GLU QG 1 32 CYS H 4.490 . 4.490 3.494 1.753 4.488 . 0 0 "[ . 1 . 2]" 1
812 1 31 GLU QG 1 34 LYS QE 4.670 . 4.670 3.658 2.207 4.708 0.038 4 0 "[ . 1 . 2]" 1
813 1 33 SER H 1 33 SER QB 3.010 . 3.010 2.494 2.241 2.632 . 0 0 "[ . 1 . 2]" 1
814 1 33 SER H 1 34 LYS QG 5.330 . 5.330 3.963 3.797 4.274 . 0 0 "[ . 1 . 2]" 1
815 1 33 SER QB 1 34 LYS H 3.830 . 3.830 2.773 2.531 3.507 . 0 0 "[ . 1 . 2]" 1
816 1 34 LYS H 1 34 LYS QG 3.770 . 3.770 2.124 1.957 2.413 . 0 0 "[ . 1 . 2]" 1
817 1 34 LYS HA 1 34 LYS QG 3.480 . 3.480 3.350 3.322 3.453 . 0 0 "[ . 1 . 2]" 1
818 1 34 LYS QG 1 35 LYS H 3.580 . 3.580 2.926 2.717 3.328 . 0 0 "[ . 1 . 2]" 1
819 1 35 LYS HA 1 35 LYS QG 3.260 . 3.260 2.586 2.182 2.882 . 0 0 "[ . 1 . 2]" 1
820 1 35 LYS QE 1 35 LYS QG 3.340 . 3.340 2.285 2.123 2.367 . 0 0 "[ . 1 . 2]" 1
821 1 35 LYS QG 1 38 THR MG 3.870 . 3.870 3.689 3.270 3.940 0.070 9 0 "[ . 1 . 2]" 1
822 1 36 HIS H 1 37 LYS QG 5.810 . 5.810 3.650 3.553 3.789 . 0 0 "[ . 1 . 2]" 1
823 1 36 HIS HA 1 39 ARG QG 3.440 . 3.440 2.184 1.942 2.473 . 0 0 "[ . 1 . 2]" 1
824 1 36 HIS HA 1 39 ARG QD 5.040 . 5.040 2.622 2.078 3.715 . 0 0 "[ . 1 . 2]" 1
825 1 36 HIS HE1 1 37 LYS QG 4.400 . 4.400 4.328 4.242 4.413 0.013 14 0 "[ . 1 . 2]" 1
826 1 36 HIS HE1 1 42 CYS QB 5.810 . 5.810 5.008 4.899 5.136 . 0 0 "[ . 1 . 2]" 1
827 1 37 LYS H 1 37 LYS QG 4.130 . 4.130 2.293 2.211 2.430 . 0 0 "[ . 1 . 2]" 1
828 1 37 LYS HA 1 42 CYS QB 3.620 . 3.620 2.281 2.026 2.760 . 0 0 "[ . 1 . 2]" 1
829 1 37 LYS QD 1 42 CYS QB 5.090 . 5.090 4.122 3.824 4.595 . 0 0 "[ . 1 . 2]" 1
830 1 37 LYS QE 1 42 CYS QB 4.840 . 4.840 3.981 3.647 4.782 . 0 0 "[ . 1 . 2]" 1
831 1 38 THR HB 1 39 ARG QG 5.050 . 5.050 5.050 4.838 5.142 0.092 15 0 "[ . 1 . 2]" 1
832 1 38 THR MG 1 39 ARG QG 5.040 . 5.040 2.842 2.544 2.988 . 0 0 "[ . 1 . 2]" 1
833 1 39 ARG HA 1 39 ARG QG 3.370 . 3.370 3.327 3.286 3.340 . 0 0 "[ . 1 . 2]" 1
834 1 39 ARG HA 1 39 ARG QD 4.770 . 4.770 4.437 4.234 4.560 . 0 0 "[ . 1 . 2]" 1
835 1 39 ARG QB 1 39 ARG QD 3.090 . 3.090 2.268 2.108 2.365 . 0 0 "[ . 1 . 2]" 1
836 1 39 ARG QG 1 40 ASP H 3.070 . 3.070 2.422 2.008 3.070 0.000 18 0 "[ . 1 . 2]" 1
837 1 40 ASP H 1 40 ASP QB 3.110 . 3.110 2.435 2.353 2.597 . 0 0 "[ . 1 . 2]" 1
838 1 40 ASP H 1 42 CYS QB 4.990 . 4.990 4.439 4.025 4.817 . 0 0 "[ . 1 . 2]" 1
839 1 40 ASP QB 1 42 CYS QB 4.090 . 4.090 3.003 2.156 3.723 . 0 0 "[ . 1 . 2]" 1
840 1 41 ASN HB2 1 41 ASN QD 3.260 . 3.260 2.566 2.182 3.253 . 0 0 "[ . 1 . 2]" 1
841 1 41 ASN HB3 1 42 CYS QB 5.810 . 5.810 5.342 4.800 5.760 . 0 0 "[ . 1 . 2]" 1
842 1 42 CYS H 1 42 CYS QB 3.660 . 3.660 2.440 2.184 2.791 . 0 0 "[ . 1 . 2]" 1
843 1 43 SER H 1 43 SER QB 3.110 . 3.110 2.640 2.284 3.209 0.099 10 0 "[ . 1 . 2]" 1
844 1 43 SER HA 1 43 SER QB 2.500 . 2.500 2.314 2.182 2.434 . 0 0 "[ . 1 . 2]" 1
845 1 43 SER QB 1 45 GLN H 5.340 . 5.340 3.467 2.958 4.734 . 0 0 "[ . 1 . 2]" 1
846 1 43 SER QB 1 45 GLN QB 4.390 . 4.390 3.447 2.564 4.096 . 0 0 "[ . 1 . 2]" 1
847 1 43 SER QB 1 45 GLN QG 5.720 . 5.720 3.579 1.919 5.720 . 0 0 "[ . 1 . 2]" 1
848 1 45 GLN QB 1 45 GLN QE 3.640 . 3.640 2.605 1.768 3.664 0.024 4 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 8 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 ZN 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 8 CYS CB 2 1 ZN ZN 3.600 . 3.600 3.311 3.262 3.341 . 0 0 "[ . 1 . 2]" 2
2 1 11 CYS CB 2 1 ZN ZN 3.600 . 3.600 3.395 3.372 3.430 . 0 0 "[ . 1 . 2]" 2
3 1 28 CYS CB 2 1 ZN ZN 3.600 . 3.600 3.376 3.358 3.392 . 0 0 "[ . 1 . 2]" 2
4 1 32 CYS CB 2 1 ZN ZN 3.600 . 3.600 3.336 3.308 3.360 . 0 0 "[ . 1 . 2]" 2
5 1 8 CYS SG 2 1 ZN ZN 2.400 . 2.400 2.293 2.285 2.300 . 0 0 "[ . 1 . 2]" 2
6 1 11 CYS SG 2 1 ZN ZN 2.400 . 2.400 2.300 2.294 2.306 . 0 0 "[ . 1 . 2]" 2
7 1 28 CYS SG 2 1 ZN ZN 2.400 . 2.400 2.299 2.296 2.304 . 0 0 "[ . 1 . 2]" 2
8 1 32 CYS SG 2 1 ZN ZN 2.400 . 2.400 2.297 2.292 2.304 . 0 0 "[ . 1 . 2]" 2
9 1 20 CYS CB 3 1 ZN ZN 3.600 . 3.600 3.439 3.411 3.457 . 0 0 "[ . 1 . 2]" 2
10 1 23 CYS CB 3 1 ZN ZN 3.600 . 3.600 3.378 3.365 3.393 . 0 0 "[ . 1 . 2]" 2
11 1 42 CYS CB 3 1 ZN ZN 3.600 . 3.600 3.365 3.332 3.397 . 0 0 "[ . 1 . 2]" 2
12 1 20 CYS SG 3 1 ZN ZN 2.400 . 2.400 2.305 2.301 2.312 . 0 0 "[ . 1 . 2]" 2
13 1 23 CYS SG 3 1 ZN ZN 2.400 . 2.400 2.298 2.295 2.302 . 0 0 "[ . 1 . 2]" 2
14 1 42 CYS SG 3 1 ZN ZN 2.400 . 2.400 2.298 2.294 2.306 . 0 0 "[ . 1 . 2]" 2
15 1 36 HIS NE2 3 1 ZN ZN 2.100 . 2.100 2.007 2.001 2.014 . 0 0 "[ . 1 . 2]" 2
16 1 8 CYS SG 1 11 CYS SG 3.950 . 3.950 3.672 3.654 3.688 . 0 0 "[ . 1 . 2]" 2
17 1 8 CYS SG 1 28 CYS SG 3.950 . 3.950 3.712 3.694 3.736 . 0 0 "[ . 1 . 2]" 2
18 1 8 CYS SG 1 32 CYS SG 3.950 . 3.950 3.705 3.686 3.725 . 0 0 "[ . 1 . 2]" 2
19 1 11 CYS SG 1 28 CYS SG 3.950 . 3.950 3.797 3.785 3.809 . 0 0 "[ . 1 . 2]" 2
20 1 11 CYS SG 1 32 CYS SG 3.950 . 3.950 3.835 3.796 3.873 . 0 0 "[ . 1 . 2]" 2
21 1 28 CYS SG 1 32 CYS SG 3.950 . 3.950 3.777 3.747 3.790 . 0 0 "[ . 1 . 2]" 2
22 1 20 CYS SG 1 23 CYS SG 3.950 . 3.950 3.775 3.750 3.794 . 0 0 "[ . 1 . 2]" 2
23 1 20 CYS SG 1 42 CYS SG 3.950 . 3.950 3.703 3.680 3.737 . 0 0 "[ . 1 . 2]" 2
24 1 23 CYS SG 1 42 CYS SG 3.950 . 3.950 3.719 3.690 3.752 . 0 0 "[ . 1 . 2]" 2
25 1 20 CYS SG 1 36 HIS NE2 3.950 . 3.950 3.577 3.550 3.619 . 0 0 "[ . 1 . 2]" 2
26 1 23 CYS SG 1 36 HIS NE2 3.950 . 3.950 3.549 3.523 3.565 . 0 0 "[ . 1 . 2]" 2
27 1 36 HIS NE2 1 42 CYS SG 3.950 . 3.950 3.499 3.479 3.514 . 0 0 "[ . 1 . 2]" 2
stop_
save_