NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
603170 |
2n95   |
25881 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n95
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 906
_Distance_constraint_stats_list.Viol_count 1695
_Distance_constraint_stats_list.Viol_total 1636.788
_Distance_constraint_stats_list.Viol_max 0.681
_Distance_constraint_stats_list.Viol_rms 0.0201
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.0483
_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 4 MET 0.647 0.065 6 0 "[ . 1 . 2]"
1 6 SER 0.293 0.061 20 0 "[ . 1 . 2]"
1 8 ALA 1.165 0.118 3 0 "[ . 1 . 2]"
1 9 VAL 0.545 0.095 19 0 "[ . 1 . 2]"
1 10 LYS 3.967 0.300 3 0 "[ . 1 . 2]"
1 11 CYS 3.660 0.094 16 0 "[ . 1 . 2]"
1 12 GLY 1.036 0.079 8 0 "[ . 1 . 2]"
1 13 ILE 7.445 0.133 4 0 "[ . 1 . 2]"
1 14 CYS 3.732 0.133 4 0 "[ . 1 . 2]"
1 15 ARG 2.165 0.176 4 0 "[ . 1 . 2]"
1 16 GLY 1.950 0.176 4 0 "[ . 1 . 2]"
1 17 VAL 3.446 0.105 15 0 "[ . 1 . 2]"
1 18 ASP 1.843 0.118 3 0 "[ . 1 . 2]"
1 19 GLY 1.495 0.084 8 0 "[ . 1 . 2]"
1 20 LYS 5.844 0.143 8 0 "[ . 1 . 2]"
1 21 TYR 3.606 0.122 17 0 "[ . 1 . 2]"
1 22 LYS 6.307 0.179 7 0 "[ . 1 . 2]"
1 23 CYS 10.163 0.142 13 0 "[ . 1 . 2]"
1 24 PRO 2.367 0.087 8 0 "[ . 1 . 2]"
1 25 LYS 1.653 0.144 2 0 "[ . 1 . 2]"
1 26 CYS 4.208 0.220 19 0 "[ . 1 . 2]"
1 27 GLY 3.598 0.171 9 0 "[ . 1 . 2]"
1 28 VAL 9.109 0.199 19 0 "[ . 1 . 2]"
1 29 ARG 3.607 0.141 17 0 "[ . 1 . 2]"
1 30 TYR 9.838 0.128 13 0 "[ . 1 . 2]"
1 31 CYS 3.717 0.120 12 0 "[ . 1 . 2]"
1 32 SER 4.497 0.124 12 0 "[ . 1 . 2]"
1 33 LEU 2.244 0.574 12 1 "[ . 1 + . 2]"
1 34 LYS 3.503 0.681 16 2 "[ . 1 - .+ 2]"
1 35 CYS 1.749 0.681 16 2 "[ . 1 - .+ 2]"
1 36 TYR 10.189 0.312 11 0 "[ . 1 . 2]"
1 37 LYS 2.806 0.312 11 0 "[ . 1 . 2]"
1 38 ASP 4.505 0.164 8 0 "[ . 1 . 2]"
1 39 ALA 1.942 0.111 6 0 "[ . 1 . 2]"
1 40 ALA 1.240 0.082 13 0 "[ . 1 . 2]"
1 41 LYS 2.303 0.103 20 0 "[ . 1 . 2]"
1 42 HIS 5.512 0.178 2 0 "[ . 1 . 2]"
1 43 VAL 5.102 0.290 16 0 "[ . 1 . 2]"
1 44 HIS 9.632 0.290 16 0 "[ . 1 . 2]"
1 46 GLU 0.017 0.017 8 0 "[ . 1 . 2]"
1 47 SER 0.161 0.122 19 0 "[ . 1 . 2]"
1 48 GLU 0.033 0.023 4 0 "[ . 1 . 2]"
1 49 GLN 0.161 0.122 19 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 26 CYS H 1 44 HIS HE1 5.400 . 5.400 3.964 3.712 4.249 . 0 0 "[ . 1 . 2]" 1
2 1 48 GLU H 1 49 GLN H 4.330 . 4.330 2.989 1.969 4.307 . 0 0 "[ . 1 . 2]" 1
3 1 42 HIS HE1 1 44 HIS HE1 4.580 . 4.580 3.508 2.836 4.704 0.124 17 0 "[ . 1 . 2]" 1
4 1 36 TYR HE1 1 42 HIS HE1 3.240 . 3.240 2.772 2.334 3.180 . 0 0 "[ . 1 . 2]" 1
5 1 22 LYS HA 1 30 TYR HE1 3.410 . 3.410 3.475 3.425 3.522 0.112 12 0 "[ . 1 . 2]" 1
6 1 42 HIS HA 1 42 HIS HD2 3.180 . 3.180 2.403 2.296 2.513 . 0 0 "[ . 1 . 2]" 1
7 1 11 CYS H 1 17 VAL HA 4.860 . 4.860 4.722 4.675 4.814 . 0 0 "[ . 1 . 2]" 1
8 1 10 LYS HA 1 19 GLY H 3.430 . 3.430 2.371 2.163 2.454 . 0 0 "[ . 1 . 2]" 1
9 1 10 LYS HA 1 18 ASP H 4.620 . 4.620 4.373 4.282 4.526 . 0 0 "[ . 1 . 2]" 1
10 1 34 LYS HA 1 36 TYR H 4.660 . 4.660 4.406 4.237 4.559 . 0 0 "[ . 1 . 2]" 1
11 1 26 CYS H 1 27 GLY HA2 4.400 . 4.400 4.415 4.244 4.470 0.070 2 0 "[ . 1 . 2]" 1
12 1 39 ALA HA 1 42 HIS H 4.280 . 4.280 3.948 3.746 4.114 . 0 0 "[ . 1 . 2]" 1
13 1 21 TYR HA 1 21 TYR HE1 4.980 . 4.980 4.913 4.602 5.065 0.085 3 0 "[ . 1 . 2]" 1
14 1 24 PRO HD2 1 30 TYR HE1 5.470 . 5.470 5.490 5.341 5.545 0.075 9 0 "[ . 1 . 2]" 1
15 1 26 CYS HB2 1 44 HIS HD2 3.550 . 3.550 3.581 3.239 3.770 0.220 19 0 "[ . 1 . 2]" 1
16 1 23 CYS HB3 1 36 TYR HE1 5.550 . 5.550 5.559 5.471 5.621 0.071 12 0 "[ . 1 . 2]" 1
17 1 26 CYS HB2 1 27 GLY H 4.850 . 4.850 3.887 3.727 4.082 . 0 0 "[ . 1 . 2]" 1
18 1 12 GLY H 1 19 GLY HA3 5.230 . 5.230 4.344 4.198 4.614 . 0 0 "[ . 1 . 2]" 1
19 1 29 ARG H 1 29 ARG HG2 4.600 . 4.600 3.259 2.863 3.384 . 0 0 "[ . 1 . 2]" 1
20 1 13 ILE H 1 28 VAL MG2 5.000 . 5.000 4.314 4.075 4.667 . 0 0 "[ . 1 . 2]" 1
21 1 13 ILE MG 1 14 CYS H 3.780 . 3.780 3.621 3.362 3.756 . 0 0 "[ . 1 . 2]" 1
22 1 43 VAL H 1 43 VAL MG1 4.200 . 4.200 3.752 2.017 3.930 . 0 0 "[ . 1 . 2]" 1
23 1 46 GLU HB2 1 47 SER H 4.700 . 4.700 3.664 2.192 4.399 . 0 0 "[ . 1 . 2]" 1
24 1 46 GLU HB3 1 47 SER H 4.700 . 4.700 3.442 1.706 4.437 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL H 1 9 VAL HB 3.800 . 3.800 2.948 2.497 3.454 . 0 0 "[ . 1 . 2]" 1
26 1 33 LEU QB 1 34 LYS H 4.200 . 4.200 2.945 2.751 3.041 . 0 0 "[ . 1 . 2]" 1
27 1 39 ALA MB 1 40 ALA H 3.810 . 3.810 3.517 3.286 3.611 . 0 0 "[ . 1 . 2]" 1
28 1 25 LYS QB 1 27 GLY H 4.230 . 4.230 4.108 4.032 4.230 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL QG 1 10 LYS H 3.740 . 3.740 2.139 1.889 2.490 . 0 0 "[ . 1 . 2]" 1
30 1 13 ILE QG 1 29 ARG H 5.060 . 5.060 4.222 3.933 4.541 . 0 0 "[ . 1 . 2]" 1
31 1 20 LYS QB 1 21 TYR HE1 4.310 . 4.310 3.691 3.302 4.161 . 0 0 "[ . 1 . 2]" 1
32 1 28 VAL MG2 1 42 HIS HD2 4.620 . 4.620 3.220 2.840 3.927 . 0 0 "[ . 1 . 2]" 1
33 1 20 LYS HG2 1 21 TYR HE1 4.990 . 4.990 4.795 4.516 4.996 0.006 15 0 "[ . 1 . 2]" 1
34 1 28 VAL MG1 1 42 HIS HD2 3.300 . 3.300 2.369 1.909 3.301 0.001 9 0 "[ . 1 . 2]" 1
35 1 13 ILE MD 1 42 HIS HD2 4.010 . 4.010 3.184 2.465 3.785 . 0 0 "[ . 1 . 2]" 1
36 1 20 LYS HG3 1 21 TYR HE1 4.590 . 4.590 3.549 3.175 3.784 . 0 0 "[ . 1 . 2]" 1
37 1 20 LYS QD 1 21 TYR HE1 3.960 . 3.960 2.220 2.054 2.407 . 0 0 "[ . 1 . 2]" 1
38 1 20 LYS QD 1 21 TYR HD1 4.240 . 4.240 2.577 2.397 3.021 . 0 0 "[ . 1 . 2]" 1
39 1 21 TYR HB2 1 21 TYR HD1 3.340 . 3.340 2.791 2.546 3.203 . 0 0 "[ . 1 . 2]" 1
40 1 20 LYS HG2 1 21 TYR HD1 4.280 . 4.280 3.568 3.498 3.713 . 0 0 "[ . 1 . 2]" 1
41 1 28 VAL MG1 1 42 HIS HE1 4.320 . 4.320 3.823 3.328 4.062 . 0 0 "[ . 1 . 2]" 1
42 1 25 LYS HG3 1 44 HIS HE1 4.880 . 4.880 2.500 2.303 2.860 . 0 0 "[ . 1 . 2]" 1
43 1 28 VAL MG1 1 30 TYR HE1 4.690 . 4.690 4.772 4.713 4.818 0.128 13 0 "[ . 1 . 2]" 1
44 1 13 ILE MD 1 36 TYR HD1 4.790 . 4.790 4.822 4.692 4.920 0.130 14 0 "[ . 1 . 2]" 1
45 1 20 LYS HG3 1 21 TYR HD1 4.580 . 4.580 1.856 1.783 2.012 . 0 0 "[ . 1 . 2]" 1
46 1 28 VAL MG1 1 44 HIS HD2 5.270 . 5.270 5.353 5.139 5.469 0.199 19 0 "[ . 1 . 2]" 1
47 1 28 VAL MG1 1 30 TYR HA 4.940 . 4.940 4.704 4.503 4.834 . 0 0 "[ . 1 . 2]" 1
48 1 28 VAL HB 1 42 HIS HD2 4.140 . 4.140 3.520 3.227 4.168 0.028 9 0 "[ . 1 . 2]" 1
49 1 21 TYR HB3 1 30 TYR HE1 4.200 . 4.200 1.926 1.840 2.011 . 0 0 "[ . 1 . 2]" 1
50 1 11 CYS HB2 1 17 VAL H 4.480 . 4.480 3.644 3.566 3.756 . 0 0 "[ . 1 . 2]" 1
51 1 26 CYS HB3 1 44 HIS HD2 3.550 . 3.550 2.194 1.831 2.457 . 0 0 "[ . 1 . 2]" 1
52 1 20 LYS QE 1 21 TYR HE1 4.100 . 4.100 3.938 2.738 4.172 0.072 16 0 "[ . 1 . 2]" 1
53 1 36 TYR HA 1 38 ASP H 4.610 . 4.610 3.911 3.855 4.000 . 0 0 "[ . 1 . 2]" 1
54 1 14 CYS HB2 1 15 ARG H 4.620 . 4.620 4.202 4.164 4.240 . 0 0 "[ . 1 . 2]" 1
55 1 30 TYR H 1 31 CYS H 4.560 . 4.560 4.404 4.357 4.443 . 0 0 "[ . 1 . 2]" 1
56 1 11 CYS H 1 16 GLY H 4.230 . 4.230 4.211 4.068 4.305 0.075 9 0 "[ . 1 . 2]" 1
57 1 11 CYS H 1 18 ASP H 4.870 . 4.870 4.753 4.689 4.835 . 0 0 "[ . 1 . 2]" 1
58 1 25 LYS HG2 1 27 GLY H 5.920 . 5.920 5.589 5.445 5.784 . 0 0 "[ . 1 . 2]" 1
59 1 36 TYR HE1 1 37 LYS HG3 6.000 . 6.000 5.903 5.648 6.312 0.312 11 0 "[ . 1 . 2]" 1
60 1 33 LEU HA 1 36 TYR HD1 5.450 . 5.450 5.148 5.047 5.278 . 0 0 "[ . 1 . 2]" 1
61 1 33 LEU H 1 36 TYR HB2 5.180 . 5.180 4.417 4.295 4.580 . 0 0 "[ . 1 . 2]" 1
62 1 34 LYS HA 1 37 LYS H 5.590 . 5.590 4.387 4.000 4.818 . 0 0 "[ . 1 . 2]" 1
63 1 22 LYS H 1 22 LYS QD 4.940 . 4.940 4.353 4.297 4.447 . 0 0 "[ . 1 . 2]" 1
64 1 13 ILE MG 1 38 ASP H 5.070 . 5.070 4.901 4.607 5.070 0.000 16 0 "[ . 1 . 2]" 1
65 1 36 TYR HB2 1 36 TYR HD1 3.670 . 3.670 3.575 3.516 3.611 . 0 0 "[ . 1 . 2]" 1
66 1 30 TYR HB2 1 30 TYR HE1 4.990 . 4.990 4.857 4.831 4.896 . 0 0 "[ . 1 . 2]" 1
67 1 36 TYR HD1 1 37 LYS HG2 4.500 . 4.500 4.478 4.128 4.612 0.112 4 0 "[ . 1 . 2]" 1
68 1 28 VAL MG1 1 36 TYR HD1 5.600 . 5.600 4.889 4.799 5.001 . 0 0 "[ . 1 . 2]" 1
69 1 43 VAL HA 1 43 VAL MG2 3.630 . 3.630 2.427 2.368 2.499 . 0 0 "[ . 1 . 2]" 1
70 1 13 ILE MG 1 28 VAL MG1 4.960 . 4.960 4.787 4.640 5.002 0.042 4 0 "[ . 1 . 2]" 1
71 1 13 ILE HA 1 13 ILE MG 3.100 . 3.100 2.356 2.335 2.391 . 0 0 "[ . 1 . 2]" 1
72 1 33 LEU HA 1 33 LEU MD1 3.900 . 3.900 2.944 2.019 3.832 . 0 0 "[ . 1 . 2]" 1
73 1 33 LEU HA 1 33 LEU MD2 3.900 . 3.900 2.906 1.907 3.893 . 0 0 "[ . 1 . 2]" 1
74 1 13 ILE MG 1 41 LYS HA 4.370 . 4.370 4.217 3.968 4.405 0.035 4 0 "[ . 1 . 2]" 1
75 1 11 CYS HB3 1 15 ARG HA 4.840 . 4.840 3.323 3.061 3.412 . 0 0 "[ . 1 . 2]" 1
76 1 11 CYS HB3 1 16 GLY HA2 5.800 . 5.800 5.347 5.250 5.456 . 0 0 "[ . 1 . 2]" 1
77 1 4 MET HA 1 4 MET ME 4.340 . 4.340 3.685 1.773 4.405 0.065 6 0 "[ . 1 . 2]" 1
78 1 12 GLY HA2 1 28 VAL MG2 4.910 . 4.910 4.635 4.400 4.712 . 0 0 "[ . 1 . 2]" 1
79 1 23 CYS HB2 1 28 VAL MG1 3.630 . 3.630 2.172 2.107 2.260 . 0 0 "[ . 1 . 2]" 1
80 1 17 VAL MG2 1 31 CYS HB2 4.290 . 4.290 1.997 1.935 2.083 . 0 0 "[ . 1 . 2]" 1
81 1 13 ILE MD 1 35 CYS HB2 4.590 . 4.590 2.847 2.704 2.955 . 0 0 "[ . 1 . 2]" 1
82 1 20 LYS HG3 1 21 TYR HB2 3.420 . 3.420 3.441 3.378 3.507 0.087 2 0 "[ . 1 . 2]" 1
83 1 13 ILE MD 1 13 ILE MG 3.150 . 3.150 1.840 1.761 1.925 . 0 0 "[ . 1 . 2]" 1
84 1 24 PRO HD2 1 25 LYS HG2 4.190 . 4.190 3.428 3.186 3.840 . 0 0 "[ . 1 . 2]" 1
85 1 34 LYS HA 1 34 LYS HG2 4.120 . 4.120 3.136 2.974 3.554 . 0 0 "[ . 1 . 2]" 1
86 1 25 LYS HA 1 25 LYS QD 3.060 . 3.060 2.131 1.974 2.272 . 0 0 "[ . 1 . 2]" 1
87 1 16 GLY HA2 1 17 VAL MG1 4.220 . 4.220 4.065 4.019 4.135 . 0 0 "[ . 1 . 2]" 1
88 1 41 LYS HA 1 41 LYS HD3 4.580 . 4.580 4.155 2.161 4.484 . 0 0 "[ . 1 . 2]" 1
89 1 41 LYS HA 1 41 LYS HD2 4.580 . 4.580 4.488 2.964 4.669 0.089 14 0 "[ . 1 . 2]" 1
90 1 16 GLY HA3 1 17 VAL MG2 4.160 . 4.160 3.916 3.816 3.998 . 0 0 "[ . 1 . 2]" 1
91 1 33 LEU MD1 1 36 TYR HB3 4.640 . 4.640 3.342 1.938 4.722 0.082 12 0 "[ . 1 . 2]" 1
92 1 10 LYS HB3 1 10 LYS QE 3.790 . 3.790 3.564 1.986 4.090 0.300 3 0 "[ . 1 . 2]" 1
93 1 34 LYS QB 1 35 CYS HB2 5.460 . 5.460 4.237 4.055 4.379 . 0 0 "[ . 1 . 2]" 1
94 1 13 ILE QG 1 35 CYS HB3 3.860 . 3.860 3.236 3.125 3.336 . 0 0 "[ . 1 . 2]" 1
95 1 13 ILE MG 1 41 LYS HB2 3.230 . 3.230 1.949 1.756 2.092 . 0 0 "[ . 1 . 2]" 1
96 1 11 CYS HA 1 19 GLY HA2 3.760 . 3.760 3.173 3.018 3.422 . 0 0 "[ . 1 . 2]" 1
97 1 22 LYS QE 1 27 GLY HA2 4.330 . 4.330 2.219 1.870 3.559 . 0 0 "[ . 1 . 2]" 1
98 1 19 GLY HA2 1 31 CYS HB2 4.440 . 4.440 4.431 4.273 4.491 0.051 1 0 "[ . 1 . 2]" 1
99 1 20 LYS QB 1 20 LYS QD 2.800 . 2.800 2.210 2.111 2.265 . 0 0 "[ . 1 . 2]" 1
100 1 13 ILE QG 1 30 TYR HB3 4.530 . 4.530 2.832 2.716 2.996 . 0 0 "[ . 1 . 2]" 1
101 1 14 CYS HB3 1 16 GLY HA3 6.000 . 6.000 5.463 5.275 5.620 . 0 0 "[ . 1 . 2]" 1
102 1 34 LYS HA 1 36 TYR HB3 6.000 . 6.000 5.437 5.101 5.756 . 0 0 "[ . 1 . 2]" 1
103 1 36 TYR HB3 1 37 LYS HA 4.990 . 4.990 4.164 4.101 4.238 . 0 0 "[ . 1 . 2]" 1
104 1 37 LYS HA 1 37 LYS QE 5.430 . 5.430 4.462 3.856 5.044 . 0 0 "[ . 1 . 2]" 1
105 1 36 TYR HD1 1 37 LYS HG3 4.480 . 4.480 4.495 4.332 4.587 0.107 11 0 "[ . 1 . 2]" 1
106 1 23 CYS HA 1 28 VAL MG1 5.510 . 5.510 4.161 4.086 4.214 . 0 0 "[ . 1 . 2]" 1
107 1 23 CYS H 1 30 TYR HD1 5.770 . 5.770 5.402 5.264 5.524 . 0 0 "[ . 1 . 2]" 1
108 1 21 TYR H 1 21 TYR HE1 5.370 . 5.370 5.098 4.877 5.327 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL H 1 10 LYS H 4.540 . 4.540 4.416 4.300 4.552 0.012 19 0 "[ . 1 . 2]" 1
110 1 11 CYS H 1 12 GLY H 4.550 . 4.550 4.457 4.413 4.534 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG H 1 16 GLY H 3.270 . 3.270 2.696 2.629 2.747 . 0 0 "[ . 1 . 2]" 1
112 1 16 GLY H 1 17 VAL H 3.020 . 3.020 2.798 2.560 2.923 . 0 0 "[ . 1 . 2]" 1
113 1 20 LYS H 1 21 TYR H 3.120 . 3.120 2.671 2.574 2.769 . 0 0 "[ . 1 . 2]" 1
114 1 21 TYR H 1 22 LYS H 4.590 . 4.590 4.548 4.499 4.575 . 0 0 "[ . 1 . 2]" 1
115 1 26 CYS H 1 27 GLY H 2.700 . 2.700 2.137 1.996 2.213 . 0 0 "[ . 1 . 2]" 1
116 1 39 ALA H 1 40 ALA H 3.250 . 3.250 2.255 1.845 2.517 . 0 0 "[ . 1 . 2]" 1
117 1 40 ALA H 1 41 LYS H 2.860 . 2.860 2.084 1.946 2.312 . 0 0 "[ . 1 . 2]" 1
118 1 41 LYS H 1 42 HIS H 2.970 . 2.970 2.009 1.897 2.189 . 0 0 "[ . 1 . 2]" 1
119 1 8 ALA H 1 9 VAL QG 6.000 . 6.000 5.203 4.728 5.461 . 0 0 "[ . 1 . 2]" 1
120 1 8 ALA H 1 9 VAL H 5.540 . 5.540 4.431 4.286 4.594 . 0 0 "[ . 1 . 2]" 1
121 1 8 ALA HA 1 9 VAL H 2.750 . 2.750 2.372 2.175 2.684 . 0 0 "[ . 1 . 2]" 1
122 1 8 ALA MB 1 9 VAL H 3.410 . 3.410 2.327 1.855 2.655 . 0 0 "[ . 1 . 2]" 1
123 1 9 VAL H 1 9 VAL QG 2.990 . 2.990 2.305 1.981 2.601 . 0 0 "[ . 1 . 2]" 1
124 1 9 VAL HA 1 10 LYS H 2.640 . 2.640 2.318 2.212 2.439 . 0 0 "[ . 1 . 2]" 1
125 1 10 LYS H 1 10 LYS QE 5.130 . 5.130 4.687 4.342 5.090 . 0 0 "[ . 1 . 2]" 1
126 1 10 LYS H 1 10 LYS HB2 3.110 . 3.110 2.586 2.529 2.675 . 0 0 "[ . 1 . 2]" 1
127 1 10 LYS H 1 10 LYS HB3 3.940 . 3.940 3.700 3.672 3.759 . 0 0 "[ . 1 . 2]" 1
128 1 10 LYS H 1 10 LYS QD 3.990 . 3.990 3.673 3.362 3.952 . 0 0 "[ . 1 . 2]" 1
129 1 10 LYS H 1 10 LYS QG 3.520 . 3.520 2.540 2.403 2.821 . 0 0 "[ . 1 . 2]" 1
130 1 11 CYS H 1 17 VAL H 3.870 . 3.870 3.924 3.858 3.964 0.094 16 0 "[ . 1 . 2]" 1
131 1 11 CYS H 1 19 GLY HA3 4.090 . 4.090 3.936 3.718 4.040 . 0 0 "[ . 1 . 2]" 1
132 1 11 CYS H 1 17 VAL HB 5.980 . 5.980 5.716 5.672 5.780 . 0 0 "[ . 1 . 2]" 1
133 1 10 LYS HB2 1 11 CYS H 4.170 . 4.170 3.670 3.574 3.960 . 0 0 "[ . 1 . 2]" 1
134 1 10 LYS QD 1 11 CYS H 3.930 . 3.930 3.635 3.422 3.879 . 0 0 "[ . 1 . 2]" 1
135 1 10 LYS QG 1 11 CYS H 4.640 . 4.640 4.405 4.330 4.558 . 0 0 "[ . 1 . 2]" 1
136 1 11 CYS H 1 17 VAL MG2 4.520 . 4.520 4.179 4.091 4.255 . 0 0 "[ . 1 . 2]" 1
137 1 12 GLY H 1 31 CYS H 5.260 . 5.260 5.093 4.915 5.253 . 0 0 "[ . 1 . 2]" 1
138 1 12 GLY H 1 30 TYR HA 3.970 . 3.970 3.383 3.224 3.476 . 0 0 "[ . 1 . 2]" 1
139 1 12 GLY H 1 29 ARG HA 5.600 . 5.600 4.701 4.503 4.885 . 0 0 "[ . 1 . 2]" 1
140 1 11 CYS HB3 1 12 GLY H 4.620 . 4.620 4.273 4.156 4.318 . 0 0 "[ . 1 . 2]" 1
141 1 11 CYS HB2 1 12 GLY H 4.490 . 4.490 4.403 4.333 4.450 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLY H 1 13 ILE HB 5.340 . 5.340 4.863 4.750 4.960 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS HB2 1 12 GLY H 6.000 . 6.000 5.559 5.366 5.826 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLY H 1 28 VAL MG2 3.780 . 3.780 3.576 3.271 3.746 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLY H 1 13 ILE QG 4.590 . 4.590 3.405 3.313 3.526 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLY H 1 13 ILE MD 5.080 . 5.080 4.844 4.746 4.970 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLY H 1 28 VAL MG1 5.170 . 5.170 5.126 4.989 5.187 0.017 14 0 "[ . 1 . 2]" 1
148 1 13 ILE H 1 15 ARG HA 4.710 . 4.710 4.592 4.281 4.737 0.027 6 0 "[ . 1 . 2]" 1
149 1 13 ILE H 1 14 CYS HB3 4.850 . 4.850 4.940 4.872 4.983 0.133 4 0 "[ . 1 . 2]" 1
150 1 11 CYS HB2 1 13 ILE H 4.870 . 4.870 4.394 4.362 4.428 . 0 0 "[ . 1 . 2]" 1
151 1 13 ILE H 1 13 ILE MG 3.940 . 3.940 3.846 3.812 3.908 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLY H 1 14 CYS H 4.870 . 4.870 4.606 4.432 4.759 . 0 0 "[ . 1 . 2]" 1
153 1 11 CYS HA 1 14 CYS H 4.980 . 4.980 4.660 4.599 4.768 . 0 0 "[ . 1 . 2]" 1
154 1 11 CYS HB2 1 14 CYS H 4.650 . 4.650 4.340 4.286 4.397 . 0 0 "[ . 1 . 2]" 1
155 1 14 CYS H 1 35 CYS HB3 4.500 . 4.500 4.477 4.211 4.559 0.059 1 0 "[ . 1 . 2]" 1
156 1 13 ILE QG 1 14 CYS H 3.860 . 3.860 3.904 3.873 3.931 0.071 2 0 "[ . 1 . 2]" 1
157 1 14 CYS H 1 15 ARG QG 4.680 . 4.680 4.233 3.814 4.768 0.088 1 0 "[ . 1 . 2]" 1
158 1 13 ILE MD 1 14 CYS H 4.930 . 4.930 4.771 4.594 4.855 . 0 0 "[ . 1 . 2]" 1
159 1 13 ILE H 1 15 ARG H 3.710 . 3.710 2.971 2.685 3.121 . 0 0 "[ . 1 . 2]" 1
160 1 11 CYS HA 1 15 ARG H 4.870 . 4.870 4.688 4.627 4.735 . 0 0 "[ . 1 . 2]" 1
161 1 14 CYS HB3 1 15 ARG H 4.170 . 4.170 4.143 4.072 4.178 0.008 12 0 "[ . 1 . 2]" 1
162 1 15 ARG H 1 15 ARG HB2 4.100 . 4.100 3.495 3.359 3.613 . 0 0 "[ . 1 . 2]" 1
163 1 15 ARG H 1 15 ARG HB3 4.100 . 4.100 4.051 3.986 4.075 . 0 0 "[ . 1 . 2]" 1
164 1 15 ARG H 1 15 ARG QG 3.280 . 3.280 2.986 2.641 3.385 0.105 8 0 "[ . 1 . 2]" 1
165 1 16 GLY H 1 31 CYS HB3 4.990 . 4.990 4.581 4.431 4.754 . 0 0 "[ . 1 . 2]" 1
166 1 11 CYS HB2 1 16 GLY H 4.000 . 4.000 4.046 4.003 4.075 0.075 2 0 "[ . 1 . 2]" 1
167 1 15 ARG HB3 1 16 GLY H 4.680 . 4.680 4.431 4.379 4.475 . 0 0 "[ . 1 . 2]" 1
168 1 15 ARG HB2 1 16 GLY H 4.680 . 4.680 4.128 4.018 4.229 . 0 0 "[ . 1 . 2]" 1
169 1 16 GLY H 1 17 VAL MG1 4.800 . 4.800 4.789 4.637 4.843 0.043 20 0 "[ . 1 . 2]" 1
170 1 16 GLY H 1 17 VAL MG2 4.470 . 4.470 4.453 4.256 4.528 0.058 14 0 "[ . 1 . 2]" 1
171 1 16 GLY HA3 1 17 VAL H 3.050 . 3.050 2.434 2.348 2.551 . 0 0 "[ . 1 . 2]" 1
172 1 17 VAL H 1 17 VAL MG2 2.870 . 2.870 2.154 2.104 2.206 . 0 0 "[ . 1 . 2]" 1
173 1 17 VAL H 1 17 VAL MG1 3.080 . 3.080 2.673 2.554 2.860 . 0 0 "[ . 1 . 2]" 1
174 1 17 VAL HA 1 18 ASP H 2.820 . 2.820 2.705 2.597 2.744 . 0 0 "[ . 1 . 2]" 1
175 1 18 ASP H 1 18 ASP HA 2.910 . 2.910 2.796 2.755 2.820 . 0 0 "[ . 1 . 2]" 1
176 1 18 ASP H 1 31 CYS HB2 5.740 . 5.740 5.061 4.765 5.369 . 0 0 "[ . 1 . 2]" 1
177 1 18 ASP H 1 18 ASP HB2 3.670 . 3.670 3.250 2.241 3.602 . 0 0 "[ . 1 . 2]" 1
178 1 17 VAL HB 1 18 ASP H 3.020 . 3.020 1.910 1.863 1.968 . 0 0 "[ . 1 . 2]" 1
179 1 18 ASP H 1 18 ASP HB3 3.670 . 3.670 2.798 2.460 3.607 . 0 0 "[ . 1 . 2]" 1
180 1 17 VAL MG2 1 18 ASP H 3.470 . 3.470 2.647 2.544 2.906 . 0 0 "[ . 1 . 2]" 1
181 1 17 VAL MG1 1 18 ASP H 3.620 . 3.620 3.569 3.521 3.603 . 0 0 "[ . 1 . 2]" 1
182 1 10 LYS HB3 1 18 ASP H 5.530 . 5.530 5.512 5.363 5.581 0.051 2 0 "[ . 1 . 2]" 1
183 1 8 ALA MB 1 18 ASP H 5.930 . 5.930 5.909 5.420 6.048 0.118 3 0 "[ . 1 . 2]" 1
184 1 10 LYS H 1 19 GLY H 4.330 . 4.330 3.995 3.750 4.103 . 0 0 "[ . 1 . 2]" 1
185 1 11 CYS HA 1 19 GLY H 4.090 . 4.090 4.097 4.026 4.153 0.063 9 0 "[ . 1 . 2]" 1
186 1 19 GLY H 1 19 GLY HA3 2.890 . 2.890 2.344 2.323 2.371 . 0 0 "[ . 1 . 2]" 1
187 1 11 CYS HB3 1 19 GLY H 5.610 . 5.610 5.618 5.553 5.654 0.044 19 0 "[ . 1 . 2]" 1
188 1 18 ASP HB3 1 19 GLY H 4.410 . 4.410 3.749 2.930 4.141 . 0 0 "[ . 1 . 2]" 1
189 1 9 VAL HB 1 19 GLY H 5.490 . 5.490 4.979 2.950 5.220 . 0 0 "[ . 1 . 2]" 1
190 1 19 GLY H 1 29 ARG HB3 4.820 . 4.820 4.188 3.944 4.420 . 0 0 "[ . 1 . 2]" 1
191 1 10 LYS HB3 1 19 GLY H 4.730 . 4.730 4.708 4.537 4.777 0.047 18 0 "[ . 1 . 2]" 1
192 1 9 VAL QG 1 19 GLY H 4.070 . 4.070 2.490 2.219 2.697 . 0 0 "[ . 1 . 2]" 1
193 1 19 GLY H 1 20 LYS H 4.400 . 4.400 3.746 3.591 3.968 . 0 0 "[ . 1 . 2]" 1
194 1 20 LYS H 1 31 CYS H 5.190 . 5.190 5.186 5.105 5.221 0.031 2 0 "[ . 1 . 2]" 1
195 1 20 LYS H 1 21 TYR HD1 4.540 . 4.540 4.179 4.037 4.430 . 0 0 "[ . 1 . 2]" 1
196 1 20 LYS H 1 31 CYS HA 3.220 . 3.220 2.651 2.582 2.694 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLY HA2 1 20 LYS H 3.100 . 3.100 2.394 2.313 2.474 . 0 0 "[ . 1 . 2]" 1
198 1 20 LYS H 1 31 CYS HB2 4.610 . 4.610 4.677 4.622 4.730 0.120 12 0 "[ . 1 . 2]" 1
199 1 11 CYS HB2 1 20 LYS H 5.440 . 5.440 5.101 5.005 5.220 . 0 0 "[ . 1 . 2]" 1
200 1 20 LYS H 1 20 LYS HG3 3.730 . 3.730 2.588 2.406 2.927 . 0 0 "[ . 1 . 2]" 1
201 1 20 LYS H 1 20 LYS HG2 3.290 . 3.290 1.953 1.819 2.157 . 0 0 "[ . 1 . 2]" 1
202 1 20 LYS H 1 20 LYS QB 3.060 . 3.060 2.693 2.608 2.731 . 0 0 "[ . 1 . 2]" 1
203 1 20 LYS H 1 20 LYS QD 4.380 . 4.380 3.930 3.861 4.016 . 0 0 "[ . 1 . 2]" 1
204 1 21 TYR H 1 30 TYR HD1 4.970 . 4.970 3.411 3.246 3.505 . 0 0 "[ . 1 . 2]" 1
205 1 21 TYR H 1 21 TYR HD1 3.400 . 3.400 2.698 2.562 2.911 . 0 0 "[ . 1 . 2]" 1
206 1 21 TYR H 1 30 TYR HE1 5.030 . 5.030 4.867 4.640 5.041 0.011 17 0 "[ . 1 . 2]" 1
207 1 21 TYR H 1 29 ARG HA 5.290 . 5.290 5.180 4.960 5.288 . 0 0 "[ . 1 . 2]" 1
208 1 21 TYR H 1 31 CYS HA 4.130 . 4.130 3.625 3.416 3.831 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLY HA3 1 21 TYR H 4.410 . 4.410 4.176 3.962 4.297 . 0 0 "[ . 1 . 2]" 1
210 1 20 LYS QB 1 21 TYR H 3.660 . 3.660 3.492 3.390 3.666 0.006 9 0 "[ . 1 . 2]" 1
211 1 20 LYS HG3 1 21 TYR H 4.350 . 4.350 2.332 2.203 2.563 . 0 0 "[ . 1 . 2]" 1
212 1 22 LYS H 1 30 TYR HE1 4.340 . 4.340 2.787 2.574 2.932 . 0 0 "[ . 1 . 2]" 1
213 1 22 LYS H 1 29 ARG HA 5.170 . 5.170 5.038 4.933 5.164 . 0 0 "[ . 1 . 2]" 1
214 1 21 TYR HA 1 22 LYS H 2.880 . 2.880 2.341 2.303 2.409 . 0 0 "[ . 1 . 2]" 1
215 1 21 TYR HB3 1 22 LYS H 3.330 . 3.330 2.719 2.517 2.876 . 0 0 "[ . 1 . 2]" 1
216 1 22 LYS H 1 22 LYS HB3 3.410 . 3.410 2.861 2.800 2.959 . 0 0 "[ . 1 . 2]" 1
217 1 22 LYS H 1 22 LYS HB2 3.610 . 3.610 3.026 2.925 3.121 . 0 0 "[ . 1 . 2]" 1
218 1 22 LYS H 1 22 LYS HG3 5.130 . 5.130 4.993 4.945 5.053 . 0 0 "[ . 1 . 2]" 1
219 1 23 CYS H 1 28 VAL H 3.940 . 3.940 3.441 3.278 3.611 . 0 0 "[ . 1 . 2]" 1
220 1 23 CYS H 1 30 TYR H 5.210 . 5.210 4.586 4.431 4.694 . 0 0 "[ . 1 . 2]" 1
221 1 23 CYS H 1 30 TYR HE1 4.380 . 4.380 4.239 4.169 4.306 . 0 0 "[ . 1 . 2]" 1
222 1 23 CYS H 1 24 PRO HD3 4.730 . 4.730 4.436 4.348 4.541 . 0 0 "[ . 1 . 2]" 1
223 1 23 CYS H 1 24 PRO HD2 4.670 . 4.670 4.696 4.677 4.715 0.045 18 0 "[ . 1 . 2]" 1
224 1 22 LYS HB3 1 23 CYS H 4.080 . 4.080 3.789 3.716 3.842 . 0 0 "[ . 1 . 2]" 1
225 1 22 LYS HB2 1 23 CYS H 4.180 . 4.180 4.149 4.120 4.182 0.002 15 0 "[ . 1 . 2]" 1
226 1 22 LYS HG2 1 23 CYS H 3.940 . 3.940 2.663 2.424 2.829 . 0 0 "[ . 1 . 2]" 1
227 1 23 CYS H 1 28 VAL MG1 3.890 . 3.890 3.089 2.953 3.178 . 0 0 "[ . 1 . 2]" 1
228 1 25 LYS H 1 44 HIS HE1 5.510 . 5.510 4.215 3.853 4.569 . 0 0 "[ . 1 . 2]" 1
229 1 23 CYS HA 1 25 LYS H 4.060 . 4.060 3.495 3.411 3.602 . 0 0 "[ . 1 . 2]" 1
230 1 23 CYS HB3 1 25 LYS H 4.060 . 4.060 3.760 3.538 3.960 . 0 0 "[ . 1 . 2]" 1
231 1 24 PRO HB2 1 25 LYS H 4.670 . 4.670 3.799 3.623 3.969 . 0 0 "[ . 1 . 2]" 1
232 1 24 PRO HG2 1 25 LYS H 3.480 . 3.480 3.100 2.881 3.340 . 0 0 "[ . 1 . 2]" 1
233 1 25 LYS H 1 25 LYS QE 4.980 . 4.980 4.552 4.061 5.006 0.026 10 0 "[ . 1 . 2]" 1
234 1 25 LYS H 1 25 LYS HG2 3.580 . 3.580 2.326 2.123 2.486 . 0 0 "[ . 1 . 2]" 1
235 1 25 LYS H 1 25 LYS HG3 3.820 . 3.820 3.721 3.517 3.838 0.018 14 0 "[ . 1 . 2]" 1
236 1 26 CYS H 1 28 VAL H 4.030 . 4.030 3.616 3.525 3.697 . 0 0 "[ . 1 . 2]" 1
237 1 23 CYS H 1 26 CYS H 5.750 . 5.750 5.414 5.278 5.524 . 0 0 "[ . 1 . 2]" 1
238 1 26 CYS H 1 44 HIS HD2 4.790 . 4.790 4.445 4.185 4.798 0.008 18 0 "[ . 1 . 2]" 1
239 1 24 PRO HA 1 26 CYS H 5.070 . 5.070 5.025 4.706 5.116 0.046 8 0 "[ . 1 . 2]" 1
240 1 23 CYS HB2 1 26 CYS H 4.660 . 4.660 4.506 4.212 4.662 0.002 13 0 "[ . 1 . 2]" 1
241 1 25 LYS QB 1 26 CYS H 3.140 . 3.140 2.189 2.084 2.396 . 0 0 "[ . 1 . 2]" 1
242 1 25 LYS HG2 1 26 CYS H 4.010 . 4.010 4.061 4.012 4.154 0.144 2 0 "[ . 1 . 2]" 1
243 1 26 CYS H 1 26 CYS HB2 3.920 . 3.920 3.682 3.637 3.736 . 0 0 "[ . 1 . 2]" 1
244 1 24 PRO HG2 1 26 CYS H 5.970 . 5.970 5.655 5.505 5.763 . 0 0 "[ . 1 . 2]" 1
245 1 25 LYS HG3 1 26 CYS H 4.710 . 4.710 4.563 4.425 4.711 0.001 18 0 "[ . 1 . 2]" 1
246 1 26 CYS H 1 28 VAL MG1 4.900 . 4.900 4.201 4.142 4.247 . 0 0 "[ . 1 . 2]" 1
247 1 25 LYS H 1 27 GLY H 3.850 . 3.850 3.463 3.124 3.673 . 0 0 "[ . 1 . 2]" 1
248 1 24 PRO HA 1 27 GLY H 4.700 . 4.700 4.403 4.239 4.571 . 0 0 "[ . 1 . 2]" 1
249 1 23 CYS HB2 1 27 GLY H 4.310 . 4.310 4.370 4.311 4.452 0.142 13 0 "[ . 1 . 2]" 1
250 1 27 GLY H 1 28 VAL HB 5.010 . 5.010 4.273 4.196 4.400 . 0 0 "[ . 1 . 2]" 1
251 1 27 GLY H 1 28 VAL MG1 4.300 . 4.300 3.750 3.658 3.904 . 0 0 "[ . 1 . 2]" 1
252 1 27 GLY H 1 28 VAL H 3.390 . 3.390 2.095 2.005 2.237 . 0 0 "[ . 1 . 2]" 1
253 1 23 CYS HA 1 28 VAL H 4.990 . 4.990 4.986 4.868 5.069 0.079 20 0 "[ . 1 . 2]" 1
254 1 23 CYS HB2 1 28 VAL H 3.690 . 3.690 3.706 3.626 3.745 0.055 4 0 "[ . 1 . 2]" 1
255 1 28 VAL H 1 28 VAL HB 2.900 . 2.900 2.481 2.411 2.556 . 0 0 "[ . 1 . 2]" 1
256 1 28 VAL H 1 28 VAL MG1 3.120 . 3.120 2.367 2.326 2.421 . 0 0 "[ . 1 . 2]" 1
257 1 12 GLY H 1 29 ARG H 4.320 . 4.320 3.491 3.385 3.613 . 0 0 "[ . 1 . 2]" 1
258 1 22 LYS HA 1 29 ARG H 5.150 . 5.150 4.979 4.899 5.126 . 0 0 "[ . 1 . 2]" 1
259 1 28 VAL HB 1 29 ARG H 3.940 . 3.940 3.965 3.948 3.986 0.046 5 0 "[ . 1 . 2]" 1
260 1 29 ARG H 1 29 ARG HB3 3.830 . 3.830 3.621 3.589 3.693 . 0 0 "[ . 1 . 2]" 1
261 1 9 VAL QG 1 29 ARG H 6.000 . 6.000 4.670 4.454 5.040 . 0 0 "[ . 1 . 2]" 1
262 1 20 LYS H 1 30 TYR H 5.510 . 5.510 5.385 5.275 5.483 . 0 0 "[ . 1 . 2]" 1
263 1 30 TYR H 1 30 TYR HE1 4.620 . 4.620 3.905 3.813 3.996 . 0 0 "[ . 1 . 2]" 1
264 1 19 GLY HA2 1 30 TYR H 4.860 . 4.860 4.001 3.870 4.219 . 0 0 "[ . 1 . 2]" 1
265 1 11 CYS HA 1 30 TYR H 4.710 . 4.710 4.373 4.283 4.485 . 0 0 "[ . 1 . 2]" 1
266 1 29 ARG HD2 1 30 TYR H 4.750 . 4.750 4.044 3.881 4.319 . 0 0 "[ . 1 . 2]" 1
267 1 29 ARG HD3 1 30 TYR H 4.750 . 4.750 3.551 3.336 4.249 . 0 0 "[ . 1 . 2]" 1
268 1 19 GLY HA3 1 30 TYR H 4.350 . 4.350 3.894 3.750 4.136 . 0 0 "[ . 1 . 2]" 1
269 1 29 ARG HB2 1 30 TYR H 4.440 . 4.440 4.347 4.297 4.429 . 0 0 "[ . 1 . 2]" 1
270 1 28 VAL MG1 1 30 TYR H 4.930 . 4.930 3.901 3.705 4.012 . 0 0 "[ . 1 . 2]" 1
271 1 11 CYS HA 1 31 CYS H 4.050 . 4.050 3.663 3.435 3.853 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLY HA2 1 31 CYS H 4.270 . 4.270 3.594 3.471 3.709 . 0 0 "[ . 1 . 2]" 1
273 1 30 TYR HB3 1 31 CYS H 3.530 . 3.530 3.322 3.227 3.391 . 0 0 "[ . 1 . 2]" 1
274 1 31 CYS H 1 32 SER H 3.320 . 3.320 2.544 2.455 2.622 . 0 0 "[ . 1 . 2]" 1
275 1 32 SER HB2 1 34 LYS H 3.970 . 3.970 3.223 2.743 4.077 0.107 11 0 "[ . 1 . 2]" 1
276 1 32 SER HB3 1 34 LYS H 3.970 . 3.970 3.178 2.340 4.070 0.100 8 0 "[ . 1 . 2]" 1
277 1 34 LYS H 1 34 LYS QE 4.610 . 4.610 4.026 3.323 4.508 . 0 0 "[ . 1 . 2]" 1
278 1 34 LYS H 1 34 LYS QB 2.740 . 2.740 2.508 2.456 2.587 . 0 0 "[ . 1 . 2]" 1
279 1 34 LYS H 1 34 LYS QD 3.340 . 3.340 3.088 1.593 3.409 0.069 6 0 "[ . 1 . 2]" 1
280 1 34 LYS H 1 34 LYS HG3 4.120 . 4.120 3.485 2.601 3.650 . 0 0 "[ . 1 . 2]" 1
281 1 34 LYS H 1 34 LYS HG2 4.290 . 4.290 2.254 1.945 3.812 . 0 0 "[ . 1 . 2]" 1
282 1 33 LEU MD1 1 34 LYS H 5.120 . 5.120 4.838 4.656 4.989 . 0 0 "[ . 1 . 2]" 1
283 1 33 LEU MD2 1 34 LYS H 5.120 . 5.120 4.717 4.492 4.809 . 0 0 "[ . 1 . 2]" 1
284 1 31 CYS H 1 35 CYS H 5.080 . 5.080 4.729 4.439 4.947 . 0 0 "[ . 1 . 2]" 1
285 1 33 LEU H 1 35 CYS H 5.150 . 5.150 4.583 4.398 4.740 . 0 0 "[ . 1 . 2]" 1
286 1 32 SER HA 1 35 CYS H 5.170 . 5.170 5.055 4.917 5.175 0.005 12 0 "[ . 1 . 2]" 1
287 1 30 TYR HB2 1 35 CYS H 4.050 . 4.050 3.713 3.601 3.914 . 0 0 "[ . 1 . 2]" 1
288 1 13 ILE HB 1 35 CYS H 5.590 . 5.590 5.467 5.360 5.596 0.006 4 0 "[ . 1 . 2]" 1
289 1 34 LYS HG2 1 35 CYS H 4.290 . 4.290 4.281 3.966 4.971 0.681 16 2 "[ . 1 - .+ 2]" 1
290 1 13 ILE MG 1 35 CYS H 5.090 . 5.090 5.068 4.958 5.127 0.037 4 0 "[ . 1 . 2]" 1
291 1 13 ILE MD 1 35 CYS H 5.060 . 5.060 4.565 4.475 4.642 . 0 0 "[ . 1 . 2]" 1
292 1 36 TYR H 1 38 ASP H 4.650 . 4.650 4.559 4.232 4.678 0.028 18 0 "[ . 1 . 2]" 1
293 1 33 LEU H 1 36 TYR H 4.770 . 4.770 4.641 4.543 4.723 . 0 0 "[ . 1 . 2]" 1
294 1 30 TYR HB2 1 36 TYR H 3.520 . 3.520 3.380 3.254 3.531 0.011 13 0 "[ . 1 . 2]" 1
295 1 33 LEU QB 1 36 TYR H 5.420 . 5.420 4.577 4.338 4.762 . 0 0 "[ . 1 . 2]" 1
296 1 36 TYR H 1 37 LYS HG3 5.920 . 5.920 4.890 4.241 5.167 . 0 0 "[ . 1 . 2]" 1
297 1 38 ASP H 1 42 HIS H 4.880 . 4.880 4.926 4.818 5.044 0.164 8 0 "[ . 1 . 2]" 1
298 1 38 ASP H 1 38 ASP HB3 2.990 . 2.990 2.497 2.438 2.612 . 0 0 "[ . 1 . 2]" 1
299 1 37 LYS HB3 1 38 ASP H 4.520 . 4.520 4.417 4.356 4.520 0.000 11 0 "[ . 1 . 2]" 1
300 1 37 LYS HB2 1 38 ASP H 4.390 . 4.390 4.289 4.141 4.358 . 0 0 "[ . 1 . 2]" 1
301 1 38 ASP H 1 39 ALA MB 5.420 . 5.420 5.015 4.925 5.135 . 0 0 "[ . 1 . 2]" 1
302 1 37 LYS HG2 1 38 ASP H 5.120 . 5.120 5.028 4.895 5.149 0.029 12 0 "[ . 1 . 2]" 1
303 1 13 ILE MD 1 38 ASP H 5.010 . 5.010 4.300 4.126 4.486 . 0 0 "[ . 1 . 2]" 1
304 1 38 ASP H 1 39 ALA H 4.380 . 4.380 4.453 4.388 4.491 0.111 6 0 "[ . 1 . 2]" 1
305 1 39 ALA H 1 41 LYS H 4.720 . 4.720 4.177 3.888 4.531 . 0 0 "[ . 1 . 2]" 1
306 1 38 ASP HA 1 39 ALA H 2.610 . 2.610 2.245 2.167 2.315 . 0 0 "[ . 1 . 2]" 1
307 1 38 ASP HB3 1 39 ALA H 4.480 . 4.480 4.007 3.904 4.254 . 0 0 "[ . 1 . 2]" 1
308 1 38 ASP HB2 1 39 ALA H 4.460 . 4.460 4.040 3.930 4.299 . 0 0 "[ . 1 . 2]" 1
309 1 39 ALA H 1 39 ALA MB 2.690 . 2.690 2.498 2.378 2.550 . 0 0 "[ . 1 . 2]" 1
310 1 38 ASP HA 1 40 ALA H 3.860 . 3.860 3.817 3.601 3.942 0.082 13 0 "[ . 1 . 2]" 1
311 1 38 ASP HB3 1 40 ALA H 4.650 . 4.650 3.914 3.787 4.183 . 0 0 "[ . 1 . 2]" 1
312 1 38 ASP HB2 1 40 ALA H 4.860 . 4.860 4.442 4.386 4.525 . 0 0 "[ . 1 . 2]" 1
313 1 40 ALA H 1 40 ALA MB 2.660 . 2.660 2.363 2.249 2.433 . 0 0 "[ . 1 . 2]" 1
314 1 39 ALA HA 1 41 LYS H 4.390 . 4.390 4.401 4.263 4.443 0.053 5 0 "[ . 1 . 2]" 1
315 1 38 ASP HB3 1 41 LYS H 4.150 . 4.150 3.912 3.750 4.028 . 0 0 "[ . 1 . 2]" 1
316 1 13 ILE MG 1 41 LYS H 4.190 . 4.190 3.805 3.641 3.971 . 0 0 "[ . 1 . 2]" 1
317 1 40 ALA H 1 42 HIS H 3.740 . 3.740 3.039 2.788 3.384 . 0 0 "[ . 1 . 2]" 1
318 1 42 HIS H 1 42 HIS HB3 3.220 . 3.220 2.548 2.448 2.660 . 0 0 "[ . 1 . 2]" 1
319 1 42 HIS H 1 42 HIS HB2 3.460 . 3.460 2.652 2.532 2.915 . 0 0 "[ . 1 . 2]" 1
320 1 38 ASP HB2 1 42 HIS H 5.240 . 5.240 4.526 4.359 4.875 . 0 0 "[ . 1 . 2]" 1
321 1 41 LYS HB3 1 42 HIS H 4.250 . 4.250 3.724 3.341 3.866 . 0 0 "[ . 1 . 2]" 1
322 1 41 LYS HB2 1 42 HIS H 3.540 . 3.540 2.685 2.341 2.924 . 0 0 "[ . 1 . 2]" 1
323 1 13 ILE MG 1 42 HIS H 4.260 . 4.260 3.207 3.001 3.425 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE MD 1 42 HIS H 4.470 . 4.470 3.655 3.498 3.846 . 0 0 "[ . 1 . 2]" 1
325 1 42 HIS HD2 1 43 VAL H 3.600 . 3.600 3.357 2.656 3.672 0.072 6 0 "[ . 1 . 2]" 1
326 1 42 HIS HB3 1 43 VAL H 4.650 . 4.650 4.409 4.349 4.479 . 0 0 "[ . 1 . 2]" 1
327 1 42 HIS HB2 1 43 VAL H 4.630 . 4.630 4.529 4.405 4.579 . 0 0 "[ . 1 . 2]" 1
328 1 43 VAL H 1 43 VAL HB 3.170 . 3.170 2.653 2.495 3.238 0.068 17 0 "[ . 1 . 2]" 1
329 1 43 VAL H 1 43 VAL MG2 4.200 . 4.200 2.527 2.258 3.802 . 0 0 "[ . 1 . 2]" 1
330 1 13 ILE MD 1 43 VAL H 5.270 . 5.270 5.086 4.681 5.356 0.086 17 0 "[ . 1 . 2]" 1
331 1 46 GLU H 1 46 GLU QG 4.970 . 4.970 3.111 1.887 4.260 . 0 0 "[ . 1 . 2]" 1
332 1 46 GLU QG 1 47 SER H 5.280 . 5.280 3.903 2.598 4.850 . 0 0 "[ . 1 . 2]" 1
333 1 48 GLU H 1 48 GLU QG 4.520 . 4.520 3.194 1.890 4.477 . 0 0 "[ . 1 . 2]" 1
334 1 4 MET HA 1 6 SER H 4.610 . 4.610 3.897 2.915 4.671 0.061 20 0 "[ . 1 . 2]" 1
335 1 4 MET ME 1 6 SER H 4.060 . 4.060 3.786 2.325 4.120 0.060 17 0 "[ . 1 . 2]" 1
336 1 9 VAL H 1 19 GLY H 4.920 . 4.920 3.890 3.483 4.287 . 0 0 "[ . 1 . 2]" 1
337 1 13 ILE MD 1 31 CYS H 5.070 . 5.070 4.585 4.472 4.699 . 0 0 "[ . 1 . 2]" 1
338 1 36 TYR HD1 1 37 LYS H 3.940 . 3.940 3.979 3.944 4.034 0.094 20 0 "[ . 1 . 2]" 1
339 1 36 TYR HB2 1 37 LYS H 3.790 . 3.790 3.525 3.451 3.599 . 0 0 "[ . 1 . 2]" 1
340 1 37 LYS H 1 37 LYS HB2 3.000 . 3.000 2.460 2.388 2.625 . 0 0 "[ . 1 . 2]" 1
341 1 37 LYS H 1 37 LYS HG3 3.040 . 3.040 2.487 2.028 2.654 . 0 0 "[ . 1 . 2]" 1
342 1 33 LEU MD1 1 37 LYS H 5.420 . 5.420 4.370 3.176 5.465 0.045 17 0 "[ . 1 . 2]" 1
343 1 33 LEU MD2 1 37 LYS H 5.420 . 5.420 4.284 3.501 5.085 . 0 0 "[ . 1 . 2]" 1
344 1 41 LYS H 1 41 LYS HD3 5.310 . 5.310 4.988 3.892 5.189 . 0 0 "[ . 1 . 2]" 1
345 1 41 LYS H 1 41 LYS HD2 5.310 . 5.310 4.319 3.972 5.096 . 0 0 "[ . 1 . 2]" 1
346 1 8 ALA HA 1 9 VAL QG 4.820 . 4.820 3.706 3.097 3.970 . 0 0 "[ . 1 . 2]" 1
347 1 8 ALA MB 1 9 VAL QG 4.150 . 4.150 3.847 3.590 4.019 . 0 0 "[ . 1 . 2]" 1
348 1 9 VAL HA 1 9 VAL QG 2.870 . 2.870 2.186 2.115 2.246 . 0 0 "[ . 1 . 2]" 1
349 1 8 ALA MB 1 9 VAL HA 4.150 . 4.150 4.066 3.912 4.245 0.095 19 0 "[ . 1 . 2]" 1
350 1 9 VAL HA 1 10 LYS HB2 5.150 . 5.150 4.734 4.597 4.834 . 0 0 "[ . 1 . 2]" 1
351 1 10 LYS HA 1 10 LYS QD 3.790 . 3.790 2.133 1.989 2.261 . 0 0 "[ . 1 . 2]" 1
352 1 10 LYS HB2 1 10 LYS QD 3.380 . 3.380 3.328 3.269 3.488 0.108 4 0 "[ . 1 . 2]" 1
353 1 10 LYS HB3 1 10 LYS QD 3.280 . 3.280 2.413 2.209 2.850 . 0 0 "[ . 1 . 2]" 1
354 1 9 VAL QG 1 10 LYS HB3 6.000 . 6.000 4.759 4.646 5.318 . 0 0 "[ . 1 . 2]" 1
355 1 9 VAL QG 1 10 LYS QG 5.060 . 5.060 3.956 3.852 4.289 . 0 0 "[ . 1 . 2]" 1
356 1 11 CYS HA 1 12 GLY HA2 4.590 . 4.590 4.394 4.374 4.420 . 0 0 "[ . 1 . 2]" 1
357 1 11 CYS HA 1 28 VAL MG2 5.440 . 5.440 5.118 4.812 5.304 . 0 0 "[ . 1 . 2]" 1
358 1 10 LYS HA 1 11 CYS HB2 4.650 . 4.650 4.502 4.386 4.574 . 0 0 "[ . 1 . 2]" 1
359 1 13 ILE HA 1 41 LYS HB3 4.240 . 4.240 3.342 2.903 3.663 . 0 0 "[ . 1 . 2]" 1
360 1 28 VAL HA 1 28 VAL MG2 3.030 . 3.030 2.238 2.222 2.258 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL HA 1 28 VAL MG1 3.490 . 3.490 3.194 3.187 3.201 . 0 0 "[ . 1 . 2]" 1
362 1 13 ILE HA 1 13 ILE MD 3.700 . 3.700 3.731 3.706 3.757 0.057 9 0 "[ . 1 . 2]" 1
363 1 13 ILE HA 1 14 CYS HB3 5.970 . 5.970 5.304 5.239 5.397 . 0 0 "[ . 1 . 2]" 1
364 1 13 ILE HA 1 41 LYS QE 6.000 . 6.000 5.471 4.514 6.000 0.000 8 0 "[ . 1 . 2]" 1
365 1 13 ILE MD 1 42 HIS HB2 3.840 . 3.840 1.871 1.721 2.047 . 0 0 "[ . 1 . 2]" 1
366 1 13 ILE MD 1 30 TYR HB3 4.000 . 4.000 1.912 1.833 2.086 . 0 0 "[ . 1 . 2]" 1
367 1 13 ILE MD 1 35 CYS HB3 3.730 . 3.730 1.951 1.892 2.030 . 0 0 "[ . 1 . 2]" 1
368 1 13 ILE MD 1 42 HIS HB3 4.110 . 4.110 3.375 2.928 3.561 . 0 0 "[ . 1 . 2]" 1
369 1 13 ILE MD 1 23 CYS HB2 5.030 . 5.030 4.838 4.617 5.042 0.012 17 0 "[ . 1 . 2]" 1
370 1 13 ILE MD 1 35 CYS HA 4.140 . 4.140 3.507 3.448 3.591 . 0 0 "[ . 1 . 2]" 1
371 1 13 ILE QG 1 13 ILE MG 3.080 . 3.080 2.421 2.377 2.444 . 0 0 "[ . 1 . 2]" 1
372 1 13 ILE MG 1 41 LYS HB3 3.530 . 3.530 2.427 2.140 2.743 . 0 0 "[ . 1 . 2]" 1
373 1 13 ILE MG 1 42 HIS HB2 4.340 . 4.340 2.926 2.559 3.289 . 0 0 "[ . 1 . 2]" 1
374 1 13 ILE MG 1 38 ASP HB2 4.000 . 4.000 3.780 3.423 4.033 0.033 2 0 "[ . 1 . 2]" 1
375 1 13 ILE MG 1 38 ASP HB3 3.490 . 3.490 3.093 2.850 3.238 . 0 0 "[ . 1 . 2]" 1
376 1 15 ARG HA 1 15 ARG QD 3.960 . 3.960 2.379 1.901 3.913 . 0 0 "[ . 1 . 2]" 1
377 1 15 ARG HA 1 15 ARG QG 3.150 . 3.150 2.705 2.276 3.035 . 0 0 "[ . 1 . 2]" 1
378 1 15 ARG HB2 1 15 ARG QD 3.830 . 3.830 3.094 2.300 3.515 . 0 0 "[ . 1 . 2]" 1
379 1 15 ARG HB3 1 15 ARG QD 3.830 . 3.830 2.797 2.351 3.527 . 0 0 "[ . 1 . 2]" 1
380 1 12 GLY HA2 1 15 ARG QD 4.440 . 4.440 2.762 2.199 4.447 0.007 4 0 "[ . 1 . 2]" 1
381 1 15 ARG H 1 15 ARG QD 4.710 . 4.710 2.861 2.091 4.594 . 0 0 "[ . 1 . 2]" 1
382 1 10 LYS HB3 1 17 VAL HA 4.910 . 4.910 4.797 4.629 4.908 . 0 0 "[ . 1 . 2]" 1
383 1 17 VAL HA 1 17 VAL MG1 3.080 . 3.080 2.400 2.365 2.424 . 0 0 "[ . 1 . 2]" 1
384 1 17 VAL HA 1 17 VAL MG2 3.320 . 3.320 3.210 3.206 3.214 . 0 0 "[ . 1 . 2]" 1
385 1 10 LYS HB3 1 18 ASP HA 3.960 . 3.960 3.969 3.835 4.031 0.071 15 0 "[ . 1 . 2]" 1
386 1 9 VAL QG 1 18 ASP HA 4.470 . 4.470 4.022 3.791 4.250 . 0 0 "[ . 1 . 2]" 1
387 1 17 VAL MG2 1 18 ASP HA 4.740 . 4.740 4.114 4.059 4.287 . 0 0 "[ . 1 . 2]" 1
388 1 17 VAL MG2 1 18 ASP HB2 4.890 . 4.890 4.539 3.590 4.892 0.002 10 0 "[ . 1 . 2]" 1
389 1 17 VAL MG2 1 18 ASP HB3 4.890 . 4.890 4.568 3.852 4.928 0.038 9 0 "[ . 1 . 2]" 1
390 1 11 CYS HB3 1 19 GLY HA3 5.640 . 5.640 5.305 5.086 5.405 . 0 0 "[ . 1 . 2]" 1
391 1 9 VAL QG 1 19 GLY HA3 4.670 . 4.670 2.555 2.405 2.728 . 0 0 "[ . 1 . 2]" 1
392 1 18 ASP HA 1 19 GLY HA3 4.840 . 4.840 4.374 4.352 4.392 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLY HA3 1 31 CYS HA 4.620 . 4.620 3.991 3.862 4.096 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLY HA3 1 20 LYS HA 4.760 . 4.760 4.760 4.720 4.790 0.030 19 0 "[ . 1 . 2]" 1
395 1 20 LYS HA 1 20 LYS QD 4.350 . 4.350 4.427 4.246 4.493 0.143 8 0 "[ . 1 . 2]" 1
396 1 20 LYS HA 1 20 LYS HG2 4.020 . 4.020 3.709 3.631 3.802 . 0 0 "[ . 1 . 2]" 1
397 1 9 VAL QG 1 20 LYS HA 5.350 . 5.350 4.086 3.858 4.375 . 0 0 "[ . 1 . 2]" 1
398 1 21 TYR HA 1 21 TYR HD1 3.360 . 3.360 3.067 2.418 3.419 0.059 3 0 "[ . 1 . 2]" 1
399 1 20 LYS QD 1 21 TYR HB3 5.760 . 5.760 5.793 5.680 5.882 0.122 17 0 "[ . 1 . 2]" 1
400 1 22 LYS HA 1 30 TYR HD1 4.240 . 4.240 4.093 4.008 4.179 . 0 0 "[ . 1 . 2]" 1
401 1 22 LYS HA 1 22 LYS HG3 3.810 . 3.810 3.590 3.510 3.637 . 0 0 "[ . 1 . 2]" 1
402 1 22 LYS HA 1 22 LYS HG2 3.690 . 3.690 2.367 2.323 2.416 . 0 0 "[ . 1 . 2]" 1
403 1 22 LYS HA 1 28 VAL MG1 4.630 . 4.630 4.073 3.985 4.182 . 0 0 "[ . 1 . 2]" 1
404 1 22 LYS HB3 1 22 LYS QE 4.960 . 4.960 3.792 3.248 4.065 . 0 0 "[ . 1 . 2]" 1
405 1 22 LYS HB3 1 24 PRO HD3 5.330 . 5.330 4.197 4.008 4.383 . 0 0 "[ . 1 . 2]" 1
406 1 22 LYS HB3 1 24 PRO HD2 5.660 . 5.660 5.648 5.515 5.747 0.087 8 0 "[ . 1 . 2]" 1
407 1 22 LYS QD 1 24 PRO HG3 5.350 . 5.350 5.054 4.875 5.247 . 0 0 "[ . 1 . 2]" 1
408 1 22 LYS QD 1 23 CYS HB3 4.180 . 4.180 3.695 3.589 3.909 . 0 0 "[ . 1 . 2]" 1
409 1 22 LYS QD 1 29 ARG HA 4.640 . 4.640 4.673 4.460 4.740 0.100 10 0 "[ . 1 . 2]" 1
410 1 13 ILE MG 1 41 LYS QE 4.160 . 4.160 4.096 3.846 4.263 0.103 20 0 "[ . 1 . 2]" 1
411 1 23 CYS HA 1 30 TYR HE1 4.200 . 4.200 4.101 4.029 4.136 . 0 0 "[ . 1 . 2]" 1
412 1 23 CYS HA 1 36 TYR HE1 4.350 . 4.350 4.419 4.309 4.485 0.135 11 0 "[ . 1 . 2]" 1
413 1 23 CYS HB3 1 30 TYR HE1 5.770 . 5.770 5.645 5.564 5.691 . 0 0 "[ . 1 . 2]" 1
414 1 23 CYS HB3 1 25 LYS QB 5.270 . 5.270 4.412 4.332 4.548 . 0 0 "[ . 1 . 2]" 1
415 1 23 CYS HB2 1 30 TYR HE1 4.270 . 4.270 4.261 4.139 4.339 0.069 8 0 "[ . 1 . 2]" 1
416 1 25 LYS HA 1 25 LYS HG3 3.960 . 3.960 3.791 3.742 3.840 . 0 0 "[ . 1 . 2]" 1
417 1 25 LYS H 1 25 LYS QD 4.640 . 4.640 3.487 3.306 3.789 . 0 0 "[ . 1 . 2]" 1
418 1 25 LYS HA 1 26 CYS HA 5.060 . 5.060 4.550 4.517 4.577 . 0 0 "[ . 1 . 2]" 1
419 1 26 CYS HA 1 27 GLY HA3 5.420 . 5.420 4.492 4.408 4.529 . 0 0 "[ . 1 . 2]" 1
420 1 25 LYS QB 1 26 CYS HA 4.420 . 4.420 3.910 3.804 4.001 . 0 0 "[ . 1 . 2]" 1
421 1 22 LYS QE 1 27 GLY HA3 4.790 . 4.790 3.499 3.094 4.795 0.005 5 0 "[ . 1 . 2]" 1
422 1 22 LYS QD 1 27 GLY HA2 4.570 . 4.570 2.913 2.096 3.190 . 0 0 "[ . 1 . 2]" 1
423 1 28 VAL HA 1 29 ARG HA 4.560 . 4.560 4.407 4.394 4.422 . 0 0 "[ . 1 . 2]" 1
424 1 29 ARG HA 1 29 ARG HD2 4.000 . 4.000 3.107 2.598 3.263 . 0 0 "[ . 1 . 2]" 1
425 1 29 ARG HA 1 29 ARG HD3 4.000 . 4.000 2.112 2.019 2.231 . 0 0 "[ . 1 . 2]" 1
426 1 22 LYS HG2 1 29 ARG HA 4.520 . 4.520 3.212 3.032 3.483 . 0 0 "[ . 1 . 2]" 1
427 1 22 LYS HB2 1 29 ARG HA 4.620 . 4.620 4.133 3.918 4.372 . 0 0 "[ . 1 . 2]" 1
428 1 28 VAL MG1 1 29 ARG HA 4.540 . 4.540 3.518 3.444 3.577 . 0 0 "[ . 1 . 2]" 1
429 1 19 GLY HA2 1 29 ARG HB2 5.980 . 5.980 5.317 5.008 5.481 . 0 0 "[ . 1 . 2]" 1
430 1 22 LYS HG2 1 29 ARG HB3 5.240 . 5.240 4.991 4.831 5.094 . 0 0 "[ . 1 . 2]" 1
431 1 28 VAL MG2 1 29 ARG HB3 5.820 . 5.820 4.844 4.791 4.911 . 0 0 "[ . 1 . 2]" 1
432 1 9 VAL QG 1 29 ARG HB3 4.910 . 4.910 2.599 2.287 2.809 . 0 0 "[ . 1 . 2]" 1
433 1 22 LYS HG2 1 29 ARG HD3 4.760 . 4.760 2.422 1.876 2.649 . 0 0 "[ . 1 . 2]" 1
434 1 22 LYS HG2 1 29 ARG HD2 4.760 . 4.760 4.045 3.166 4.279 . 0 0 "[ . 1 . 2]" 1
435 1 22 LYS HB2 1 29 ARG HD2 4.610 . 4.610 3.634 3.368 3.925 . 0 0 "[ . 1 . 2]" 1
436 1 22 LYS HB2 1 29 ARG HD3 4.610 . 4.610 2.554 2.318 3.390 . 0 0 "[ . 1 . 2]" 1
437 1 9 VAL QG 1 29 ARG HD2 4.480 . 4.480 2.219 2.040 2.716 . 0 0 "[ . 1 . 2]" 1
438 1 9 VAL QG 1 29 ARG HD3 4.480 . 4.480 3.467 3.354 3.763 . 0 0 "[ . 1 . 2]" 1
439 1 29 ARG H 1 29 ARG HG3 4.600 . 4.600 4.230 4.137 4.306 . 0 0 "[ . 1 . 2]" 1
440 1 30 TYR HA 1 30 TYR HD1 4.130 . 4.130 4.007 3.959 4.074 . 0 0 "[ . 1 . 2]" 1
441 1 12 GLY HA2 1 30 TYR HA 5.930 . 5.930 5.934 5.820 6.009 0.079 8 0 "[ . 1 . 2]" 1
442 1 11 CYS HB3 1 30 TYR HA 4.700 . 4.700 4.218 4.157 4.252 . 0 0 "[ . 1 . 2]" 1
443 1 13 ILE MD 1 30 TYR HA 4.290 . 4.290 3.586 3.490 3.756 . 0 0 "[ . 1 . 2]" 1
444 1 30 TYR HB3 1 35 CYS H 6.000 . 6.000 4.534 4.407 4.725 . 0 0 "[ . 1 . 2]" 1
445 1 30 TYR HA 1 31 CYS HA 4.340 . 4.340 4.220 4.204 4.246 . 0 0 "[ . 1 . 2]" 1
446 1 19 GLY H 1 31 CYS HA 4.740 . 4.740 4.658 4.511 4.824 0.084 8 0 "[ . 1 . 2]" 1
447 1 11 CYS HA 1 31 CYS HA 4.860 . 4.860 4.512 4.400 4.656 . 0 0 "[ . 1 . 2]" 1
448 1 11 CYS HB2 1 31 CYS HB2 4.190 . 4.190 3.621 3.549 3.703 . 0 0 "[ . 1 . 2]" 1
449 1 11 CYS HA 1 31 CYS HB2 6.000 . 6.000 5.841 5.757 5.907 . 0 0 "[ . 1 . 2]" 1
450 1 30 TYR HA 1 31 CYS HB2 5.890 . 5.890 5.619 5.582 5.664 . 0 0 "[ . 1 . 2]" 1
451 1 17 VAL HB 1 31 CYS HB3 5.680 . 5.680 4.988 4.822 5.125 . 0 0 "[ . 1 . 2]" 1
452 1 11 CYS HA 1 31 CYS HB3 5.140 . 5.140 4.259 4.178 4.321 . 0 0 "[ . 1 . 2]" 1
453 1 30 TYR HA 1 31 CYS HB3 5.740 . 5.740 4.385 4.337 4.447 . 0 0 "[ . 1 . 2]" 1
454 1 33 LEU HA 1 36 TYR HA 4.450 . 4.450 4.420 4.305 4.500 0.050 4 0 "[ . 1 . 2]" 1
455 1 33 LEU HA 1 33 LEU HG 3.310 . 3.310 2.944 2.752 3.072 . 0 0 "[ . 1 . 2]" 1
456 1 33 LEU QB 1 34 LYS HG2 5.050 . 5.050 4.048 3.760 5.624 0.574 12 1 "[ . 1 + . 2]" 1
457 1 34 LYS HA 1 34 LYS QD 3.490 . 3.490 2.199 1.959 3.588 0.098 16 0 "[ . 1 . 2]" 1
458 1 34 LYS QD 1 34 LYS HG3 2.750 . 2.750 2.354 2.316 2.415 . 0 0 "[ . 1 . 2]" 1
459 1 34 LYS HG3 1 35 CYS H 5.110 . 5.110 4.835 4.506 5.082 . 0 0 "[ . 1 . 2]" 1
460 1 35 CYS HA 1 38 ASP HB2 3.300 . 3.300 2.665 2.405 2.957 . 0 0 "[ . 1 . 2]" 1
461 1 36 TYR HA 1 37 LYS HG3 5.240 . 5.240 5.129 4.836 5.255 0.015 1 0 "[ . 1 . 2]" 1
462 1 13 ILE QG 1 36 TYR HA 5.380 . 5.380 5.412 5.380 5.449 0.069 9 0 "[ . 1 . 2]" 1
463 1 13 ILE MD 1 36 TYR HA 4.000 . 4.000 3.342 3.307 3.383 . 0 0 "[ . 1 . 2]" 1
464 1 36 TYR HA 1 36 TYR HD1 3.340 . 3.340 2.267 2.176 2.343 . 0 0 "[ . 1 . 2]" 1
465 1 36 TYR HA 1 36 TYR HE1 4.750 . 4.750 4.518 4.462 4.564 . 0 0 "[ . 1 . 2]" 1
466 1 30 TYR HD1 1 36 TYR HA 5.290 . 5.290 4.774 4.602 4.926 . 0 0 "[ . 1 . 2]" 1
467 1 33 LEU H 1 36 TYR HB3 5.030 . 5.030 4.757 4.599 4.908 . 0 0 "[ . 1 . 2]" 1
468 1 37 LYS HA 1 37 LYS HG2 3.400 . 3.400 2.484 2.383 2.664 . 0 0 "[ . 1 . 2]" 1
469 1 37 LYS HA 1 37 LYS HG3 3.240 . 3.240 3.140 3.071 3.298 0.058 11 0 "[ . 1 . 2]" 1
470 1 36 TYR HD1 1 37 LYS HA 4.300 . 4.300 3.737 3.628 3.853 . 0 0 "[ . 1 . 2]" 1
471 1 38 ASP HA 1 39 ALA MB 4.010 . 4.010 3.921 3.881 3.983 . 0 0 "[ . 1 . 2]" 1
472 1 38 ASP HB2 1 40 ALA MB 4.910 . 4.910 4.948 4.878 4.980 0.070 18 0 "[ . 1 . 2]" 1
473 1 39 ALA HA 1 42 HIS HB3 4.710 . 4.710 3.535 3.186 3.865 . 0 0 "[ . 1 . 2]" 1
474 1 40 ALA MB 1 41 LYS HA 4.240 . 4.240 4.018 3.968 4.073 . 0 0 "[ . 1 . 2]" 1
475 1 41 LYS HA 1 41 LYS HG3 3.670 . 3.670 3.125 2.979 3.771 0.101 20 0 "[ . 1 . 2]" 1
476 1 41 LYS HA 1 41 LYS HG2 3.670 . 3.670 2.618 2.482 3.061 . 0 0 "[ . 1 . 2]" 1
477 1 13 ILE HA 1 41 LYS HB2 5.050 . 5.050 4.010 3.689 4.280 . 0 0 "[ . 1 . 2]" 1
478 1 13 ILE MG 1 41 LYS HG2 4.620 . 4.620 4.062 3.431 4.324 . 0 0 "[ . 1 . 2]" 1
479 1 13 ILE MG 1 41 LYS HG3 4.620 . 4.620 3.706 2.506 3.972 . 0 0 "[ . 1 . 2]" 1
480 1 13 ILE MD 1 42 HIS HA 3.820 . 3.820 3.263 2.825 3.523 . 0 0 "[ . 1 . 2]" 1
481 1 38 ASP H 1 42 HIS HB3 5.480 . 5.480 3.156 3.012 3.308 . 0 0 "[ . 1 . 2]" 1
482 1 40 ALA H 1 42 HIS HB3 6.000 . 6.000 4.280 4.013 4.565 . 0 0 "[ . 1 . 2]" 1
483 1 37 LYS HA 1 42 HIS HB3 5.540 . 5.540 5.263 4.996 5.538 . 0 0 "[ . 1 . 2]" 1
484 1 43 VAL HA 1 43 VAL MG1 3.630 . 3.630 2.410 2.338 3.185 . 0 0 "[ . 1 . 2]" 1
485 1 46 GLU HA 1 46 GLU QG 3.470 . 3.470 2.745 2.317 3.487 0.017 8 0 "[ . 1 . 2]" 1
486 1 48 GLU HA 1 48 GLU QG 3.490 . 3.490 2.844 2.384 3.513 0.023 4 0 "[ . 1 . 2]" 1
487 1 21 TYR HB3 1 30 TYR HD1 5.660 . 5.660 2.417 2.104 2.849 . 0 0 "[ . 1 . 2]" 1
488 1 20 LYS QB 1 21 TYR HB3 5.970 . 5.970 5.852 5.752 5.980 0.010 9 0 "[ . 1 . 2]" 1
489 1 33 LEU QB 1 36 TYR HB2 5.720 . 5.720 4.308 4.154 4.406 . 0 0 "[ . 1 . 2]" 1
490 1 36 TYR HB2 1 37 LYS HG3 6.000 . 6.000 4.464 4.015 4.678 . 0 0 "[ . 1 . 2]" 1
491 1 21 TYR HB2 1 36 TYR HB2 5.580 . 5.580 4.771 4.618 5.045 . 0 0 "[ . 1 . 2]" 1
492 1 42 HIS HA 1 43 VAL HB 5.180 . 5.180 4.781 4.633 4.908 . 0 0 "[ . 1 . 2]" 1
493 1 25 LYS QE 1 44 HIS HE1 5.020 . 5.020 4.502 3.731 5.052 0.032 13 0 "[ . 1 . 2]" 1
494 1 25 LYS QB 1 44 HIS HE1 3.300 . 3.300 2.255 2.013 2.500 . 0 0 "[ . 1 . 2]" 1
495 1 25 LYS HG2 1 44 HIS HE1 4.260 . 4.260 3.380 3.101 3.627 . 0 0 "[ . 1 . 2]" 1
496 1 36 TYR HD1 1 42 HIS HE1 3.360 . 3.360 2.820 2.596 3.026 . 0 0 "[ . 1 . 2]" 1
497 1 23 CYS HB3 1 42 HIS HE1 4.750 . 4.750 4.730 4.440 4.821 0.071 19 0 "[ . 1 . 2]" 1
498 1 36 TYR HA 1 42 HIS HE1 4.260 . 4.260 4.115 3.479 4.333 0.073 4 0 "[ . 1 . 2]" 1
499 1 23 CYS HB2 1 42 HIS HE1 3.830 . 3.830 3.748 3.254 3.906 0.076 13 0 "[ . 1 . 2]" 1
500 1 13 ILE MG 1 42 HIS HD2 5.160 . 5.160 5.038 4.476 5.251 0.091 14 0 "[ . 1 . 2]" 1
501 1 30 TYR HE1 1 36 TYR HB2 4.740 . 4.740 4.238 4.012 4.574 . 0 0 "[ . 1 . 2]" 1
502 1 42 HIS HE1 1 44 HIS HD2 5.410 . 5.410 5.505 5.464 5.588 0.178 2 0 "[ . 1 . 2]" 1
503 1 13 ILE MD 1 42 HIS HE1 5.160 . 5.160 4.803 4.159 5.135 . 0 0 "[ . 1 . 2]" 1
504 1 26 CYS HA 1 44 HIS HD2 4.820 . 4.820 4.440 4.112 4.702 . 0 0 "[ . 1 . 2]" 1
505 1 9 VAL H 1 20 LYS HA 6.000 . 6.000 5.631 5.119 6.054 0.054 6 0 "[ . 1 . 2]" 1
506 1 10 LYS H 1 11 CYS H 4.700 . 4.700 4.526 4.323 4.558 . 0 0 "[ . 1 . 2]" 1
507 1 9 VAL HB 1 10 LYS H 4.100 . 4.100 4.013 2.291 4.154 0.054 3 0 "[ . 1 . 2]" 1
508 1 11 CYS H 1 15 ARG H 5.290 . 5.290 4.527 4.425 4.714 . 0 0 "[ . 1 . 2]" 1
509 1 11 CYS H 1 30 TYR HA 5.190 . 5.190 5.116 4.905 5.227 0.037 5 0 "[ . 1 . 2]" 1
510 1 11 CYS H 1 31 CYS HA 5.370 . 5.370 4.832 4.505 5.080 . 0 0 "[ . 1 . 2]" 1
511 1 10 LYS HA 1 11 CYS H 2.620 . 2.620 2.323 2.140 2.386 . 0 0 "[ . 1 . 2]" 1
512 1 11 CYS H 1 11 CYS HB3 2.860 . 2.860 2.581 2.547 2.658 . 0 0 "[ . 1 . 2]" 1
513 1 11 CYS H 1 19 GLY HA2 4.450 . 4.450 3.915 3.642 4.052 . 0 0 "[ . 1 . 2]" 1
514 1 11 CYS H 1 11 CYS HB2 2.920 . 2.920 2.423 2.339 2.471 . 0 0 "[ . 1 . 2]" 1
515 1 11 CYS H 1 31 CYS HB3 4.250 . 4.250 3.868 3.730 3.984 . 0 0 "[ . 1 . 2]" 1
516 1 10 LYS HB3 1 11 CYS H 3.200 . 3.200 2.611 2.506 2.996 . 0 0 "[ . 1 . 2]" 1
517 1 11 CYS H 1 17 VAL MG1 5.780 . 5.780 5.670 5.620 5.752 . 0 0 "[ . 1 . 2]" 1
518 1 9 VAL QG 1 11 CYS H 5.370 . 5.370 4.455 4.335 4.784 . 0 0 "[ . 1 . 2]" 1
519 1 12 GLY H 1 15 ARG HA 5.620 . 5.620 5.326 5.137 5.438 . 0 0 "[ . 1 . 2]" 1
520 1 11 CYS HA 1 12 GLY H 2.720 . 2.720 2.158 2.142 2.170 . 0 0 "[ . 1 . 2]" 1
521 1 12 GLY H 1 30 TYR HB3 5.600 . 5.600 4.953 4.750 5.046 . 0 0 "[ . 1 . 2]" 1
522 1 12 GLY H 1 29 ARG HB2 4.190 . 4.190 3.082 2.683 3.433 . 0 0 "[ . 1 . 2]" 1
523 1 12 GLY H 1 29 ARG HB3 4.360 . 4.360 3.594 3.292 3.960 . 0 0 "[ . 1 . 2]" 1
524 1 12 GLY H 1 13 ILE H 3.280 . 3.280 2.730 2.572 2.953 . 0 0 "[ . 1 . 2]" 1
525 1 13 ILE H 1 14 CYS H 3.010 . 3.010 2.128 1.968 2.225 . 0 0 "[ . 1 . 2]" 1
526 1 13 ILE H 1 30 TYR HA 4.330 . 4.330 3.714 3.569 3.956 . 0 0 "[ . 1 . 2]" 1
527 1 13 ILE H 1 14 CYS HA 5.350 . 5.350 4.772 4.594 4.871 . 0 0 "[ . 1 . 2]" 1
528 1 12 GLY HA2 1 13 ILE H 3.390 . 3.390 3.199 3.026 3.311 . 0 0 "[ . 1 . 2]" 1
529 1 11 CYS HA 1 13 ILE H 4.030 . 4.030 3.537 3.469 3.640 . 0 0 "[ . 1 . 2]" 1
530 1 11 CYS HB3 1 13 ILE H 4.250 . 4.250 3.522 3.371 3.659 . 0 0 "[ . 1 . 2]" 1
531 1 13 ILE H 1 14 CYS HB2 6.000 . 6.000 5.936 5.793 6.023 0.023 16 0 "[ . 1 . 2]" 1
532 1 13 ILE H 1 15 ARG QD 6.000 . 6.000 4.094 3.323 5.880 . 0 0 "[ . 1 . 2]" 1
533 1 13 ILE H 1 35 CYS HB3 4.900 . 4.900 4.512 4.384 4.669 . 0 0 "[ . 1 . 2]" 1
534 1 13 ILE H 1 30 TYR HB3 5.260 . 5.260 4.554 4.404 4.782 . 0 0 "[ . 1 . 2]" 1
535 1 13 ILE H 1 13 ILE HB 2.970 . 2.970 2.632 2.554 2.761 . 0 0 "[ . 1 . 2]" 1
536 1 13 ILE H 1 13 ILE QG 3.080 . 3.080 2.504 2.388 2.718 . 0 0 "[ . 1 . 2]" 1
537 1 13 ILE H 1 15 ARG QG 5.000 . 5.000 4.537 3.760 4.969 . 0 0 "[ . 1 . 2]" 1
538 1 14 CYS H 1 16 GLY H 4.100 . 4.100 3.726 3.666 3.816 . 0 0 "[ . 1 . 2]" 1
539 1 14 CYS H 1 15 ARG HA 4.070 . 4.070 4.062 3.995 4.117 0.047 19 0 "[ . 1 . 2]" 1
540 1 11 CYS HB3 1 14 CYS H 3.730 . 3.730 3.007 2.937 3.148 . 0 0 "[ . 1 . 2]" 1
541 1 14 CYS H 1 14 CYS HB2 4.040 . 4.040 3.819 3.762 3.860 . 0 0 "[ . 1 . 2]" 1
542 1 14 CYS H 1 14 CYS HB3 3.320 . 3.320 3.003 2.851 3.076 . 0 0 "[ . 1 . 2]" 1
543 1 14 CYS H 1 30 TYR HB3 5.690 . 5.690 5.458 5.255 5.572 . 0 0 "[ . 1 . 2]" 1
544 1 13 ILE HB 1 14 CYS H 2.870 . 2.870 2.696 2.453 2.836 . 0 0 "[ . 1 . 2]" 1
545 1 14 CYS H 1 15 ARG H 2.920 . 2.920 1.854 1.794 1.919 . 0 0 "[ . 1 . 2]" 1
546 1 12 GLY H 1 15 ARG H 5.160 . 5.160 4.757 4.669 4.858 . 0 0 "[ . 1 . 2]" 1
547 1 15 ARG H 1 15 ARG HA 2.580 . 2.580 2.250 2.239 2.259 . 0 0 "[ . 1 . 2]" 1
548 1 12 GLY HA2 1 15 ARG H 4.260 . 4.260 4.027 3.952 4.140 . 0 0 "[ . 1 . 2]" 1
549 1 15 ARG H 1 16 GLY HA3 5.320 . 5.320 4.977 4.903 5.037 . 0 0 "[ . 1 . 2]" 1
550 1 11 CYS HB3 1 15 ARG H 3.340 . 3.340 2.654 2.592 2.701 . 0 0 "[ . 1 . 2]" 1
551 1 11 CYS HB2 1 15 ARG H 4.330 . 4.330 4.363 4.291 4.405 0.075 9 0 "[ . 1 . 2]" 1
552 1 13 ILE MG 1 15 ARG H 5.220 . 5.220 5.062 4.831 5.159 . 0 0 "[ . 1 . 2]" 1
553 1 14 CYS HA 1 16 GLY H 5.460 . 5.460 4.534 4.407 4.668 . 0 0 "[ . 1 . 2]" 1
554 1 15 ARG HA 1 16 GLY H 3.080 . 3.080 2.908 2.807 3.010 . 0 0 "[ . 1 . 2]" 1
555 1 16 GLY H 1 16 GLY HA3 2.810 . 2.810 2.336 2.311 2.360 . 0 0 "[ . 1 . 2]" 1
556 1 11 CYS HB3 1 16 GLY H 3.370 . 3.370 2.624 2.532 2.681 . 0 0 "[ . 1 . 2]" 1
557 1 14 CYS HB2 1 16 GLY H 4.960 . 4.960 3.846 3.651 4.033 . 0 0 "[ . 1 . 2]" 1
558 1 15 ARG QD 1 16 GLY H 5.640 . 5.640 4.641 4.435 5.816 0.176 4 0 "[ . 1 . 2]" 1
559 1 14 CYS HB3 1 16 GLY H 5.210 . 5.210 4.475 4.348 4.598 . 0 0 "[ . 1 . 2]" 1
560 1 15 ARG QG 1 16 GLY H 4.780 . 4.780 4.711 4.416 4.816 0.036 2 0 "[ . 1 . 2]" 1
561 1 11 CYS HB3 1 17 VAL H 4.040 . 4.040 3.446 3.308 3.534 . 0 0 "[ . 1 . 2]" 1
562 1 17 VAL H 1 31 CYS HB3 4.940 . 4.940 3.238 3.126 3.451 . 0 0 "[ . 1 . 2]" 1
563 1 10 LYS QD 1 17 VAL H 5.720 . 5.720 5.006 4.546 5.751 0.031 10 0 "[ . 1 . 2]" 1
564 1 10 LYS HB3 1 17 VAL H 5.390 . 5.390 5.061 4.920 5.176 . 0 0 "[ . 1 . 2]" 1
565 1 18 ASP H 1 19 GLY H 4.680 . 4.680 4.594 4.583 4.601 . 0 0 "[ . 1 . 2]" 1
566 1 17 VAL H 1 18 ASP H 4.360 . 4.360 4.354 4.320 4.395 0.035 6 0 "[ . 1 . 2]" 1
567 1 18 ASP HA 1 19 GLY H 2.800 . 2.800 2.192 2.163 2.208 . 0 0 "[ . 1 . 2]" 1
568 1 18 ASP HA 1 20 LYS H 5.750 . 5.750 4.771 4.606 4.998 . 0 0 "[ . 1 . 2]" 1
569 1 19 GLY HA2 1 21 TYR H 4.280 . 4.280 3.372 3.216 3.475 . 0 0 "[ . 1 . 2]" 1
570 1 21 TYR H 1 21 TYR HB3 3.630 . 3.630 3.582 3.520 3.647 0.017 3 0 "[ . 1 . 2]" 1
571 1 21 TYR H 1 29 ARG HB3 5.320 . 5.320 5.238 4.975 5.346 0.026 5 0 "[ . 1 . 2]" 1
572 1 20 LYS QD 1 21 TYR H 4.880 . 4.880 4.151 4.057 4.289 . 0 0 "[ . 1 . 2]" 1
573 1 21 TYR H 1 21 TYR HB2 3.230 . 3.230 2.343 2.275 2.467 . 0 0 "[ . 1 . 2]" 1
574 1 22 LYS H 1 23 CYS H 4.760 . 4.760 4.388 4.347 4.415 . 0 0 "[ . 1 . 2]" 1
575 1 21 TYR HD1 1 22 LYS H 5.310 . 5.310 5.187 4.683 5.360 0.050 3 0 "[ . 1 . 2]" 1
576 1 21 TYR HB2 1 22 LYS H 4.190 . 4.190 3.988 3.867 4.084 . 0 0 "[ . 1 . 2]" 1
577 1 22 LYS H 1 22 LYS HG2 4.680 . 4.680 4.663 4.637 4.695 0.015 14 0 "[ . 1 . 2]" 1
578 1 23 CYS H 1 29 ARG HA 3.900 . 3.900 3.542 3.482 3.625 . 0 0 "[ . 1 . 2]" 1
579 1 22 LYS HA 1 23 CYS H 2.650 . 2.650 2.242 2.220 2.270 . 0 0 "[ . 1 . 2]" 1
580 1 23 CYS H 1 24 PRO HA 5.570 . 5.570 5.091 4.998 5.236 . 0 0 "[ . 1 . 2]" 1
581 1 23 CYS H 1 27 GLY HA3 5.580 . 5.580 5.572 5.434 5.642 0.062 19 0 "[ . 1 . 2]" 1
582 1 23 CYS H 1 27 GLY HA2 4.770 . 4.770 4.185 4.104 4.273 . 0 0 "[ . 1 . 2]" 1
583 1 23 CYS H 1 23 CYS HB3 3.010 . 3.010 2.582 2.524 2.645 . 0 0 "[ . 1 . 2]" 1
584 1 23 CYS H 1 23 CYS HB2 3.090 . 3.090 2.774 2.683 2.892 . 0 0 "[ . 1 . 2]" 1
585 1 22 LYS QD 1 23 CYS H 4.240 . 4.240 2.178 2.003 2.618 . 0 0 "[ . 1 . 2]" 1
586 1 22 LYS HG3 1 23 CYS H 4.050 . 4.050 4.133 4.028 4.186 0.136 15 0 "[ . 1 . 2]" 1
587 1 25 LYS H 1 26 CYS H 2.930 . 2.930 2.574 2.411 2.704 . 0 0 "[ . 1 . 2]" 1
588 1 24 PRO HA 1 25 LYS H 3.370 . 3.370 3.371 3.303 3.415 0.045 4 0 "[ . 1 . 2]" 1
589 1 24 PRO HD2 1 25 LYS H 3.360 . 3.360 3.001 2.915 3.135 . 0 0 "[ . 1 . 2]" 1
590 1 25 LYS H 1 27 GLY HA2 5.020 . 5.020 4.923 4.671 5.057 0.037 18 0 "[ . 1 . 2]" 1
591 1 23 CYS HB2 1 25 LYS H 4.730 . 4.730 4.528 4.272 4.732 0.002 4 0 "[ . 1 . 2]" 1
592 1 25 LYS H 1 25 LYS QB 2.870 . 2.870 2.489 2.421 2.546 . 0 0 "[ . 1 . 2]" 1
593 1 23 CYS HB3 1 26 CYS H 3.510 . 3.510 3.199 3.004 3.306 . 0 0 "[ . 1 . 2]" 1
594 1 26 CYS H 1 26 CYS HB3 3.920 . 3.920 2.893 2.733 3.051 . 0 0 "[ . 1 . 2]" 1
595 1 26 CYS H 1 28 VAL HB 5.090 . 5.090 5.111 4.983 5.188 0.098 6 0 "[ . 1 . 2]" 1
596 1 23 CYS H 1 27 GLY H 4.280 . 4.280 4.189 4.108 4.253 . 0 0 "[ . 1 . 2]" 1
597 1 27 GLY H 1 27 GLY HA2 2.750 . 2.750 2.387 2.344 2.420 . 0 0 "[ . 1 . 2]" 1
598 1 23 CYS HB3 1 27 GLY H 3.370 . 3.370 2.642 2.580 2.725 . 0 0 "[ . 1 . 2]" 1
599 1 27 GLY H 1 28 VAL MG2 5.370 . 5.370 5.440 5.379 5.541 0.171 9 0 "[ . 1 . 2]" 1
600 1 23 CYS HB3 1 28 VAL H 3.250 . 3.250 2.157 2.089 2.197 . 0 0 "[ . 1 . 2]" 1
601 1 28 VAL H 1 28 VAL MG2 3.830 . 3.830 3.773 3.742 3.804 . 0 0 "[ . 1 . 2]" 1
602 1 28 VAL HA 1 29 ARG H 2.610 . 2.610 2.307 2.281 2.346 . 0 0 "[ . 1 . 2]" 1
603 1 12 GLY HA3 1 29 ARG H 4.220 . 4.220 3.751 3.532 3.952 . 0 0 "[ . 1 . 2]" 1
604 1 29 ARG H 1 29 ARG HB2 3.120 . 3.120 2.424 2.386 2.508 . 0 0 "[ . 1 . 2]" 1
605 1 28 VAL MG2 1 29 ARG H 3.120 . 3.120 1.915 1.869 1.965 . 0 0 "[ . 1 . 2]" 1
606 1 12 GLY H 1 30 TYR H 5.310 . 5.310 4.798 4.624 4.977 . 0 0 "[ . 1 . 2]" 1
607 1 29 ARG H 1 30 TYR H 4.320 . 4.320 4.338 4.261 4.375 0.055 5 0 "[ . 1 . 2]" 1
608 1 21 TYR H 1 30 TYR H 3.800 . 3.800 3.774 3.619 3.825 0.025 13 0 "[ . 1 . 2]" 1
609 1 30 TYR H 1 30 TYR HD1 3.310 . 3.310 2.426 2.310 2.535 . 0 0 "[ . 1 . 2]" 1
610 1 29 ARG HA 1 30 TYR H 2.740 . 2.740 2.160 2.141 2.182 . 0 0 "[ . 1 . 2]" 1
611 1 22 LYS HA 1 30 TYR H 3.650 . 3.650 3.156 3.058 3.306 . 0 0 "[ . 1 . 2]" 1
612 1 30 TYR H 1 30 TYR HB3 3.760 . 3.760 3.620 3.554 3.663 . 0 0 "[ . 1 . 2]" 1
613 1 30 TYR H 1 30 TYR HB2 4.080 . 4.080 3.610 3.535 3.650 . 0 0 "[ . 1 . 2]" 1
614 1 21 TYR HB3 1 30 TYR H 4.660 . 4.660 4.275 4.021 4.549 . 0 0 "[ . 1 . 2]" 1
615 1 29 ARG HB3 1 30 TYR H 3.490 . 3.490 3.374 3.282 3.515 0.025 9 0 "[ . 1 . 2]" 1
616 1 22 LYS HG2 1 30 TYR H 5.280 . 5.280 4.960 4.794 5.127 . 0 0 "[ . 1 . 2]" 1
617 1 28 VAL MG2 1 30 TYR H 5.700 . 5.700 4.669 4.512 4.818 . 0 0 "[ . 1 . 2]" 1
618 1 21 TYR HB2 1 30 TYR H 4.160 . 4.160 3.825 3.646 4.063 . 0 0 "[ . 1 . 2]" 1
619 1 11 CYS H 1 31 CYS H 5.810 . 5.810 4.967 4.753 5.192 . 0 0 "[ . 1 . 2]" 1
620 1 14 CYS H 1 31 CYS H 6.000 . 6.000 4.882 4.693 5.052 . 0 0 "[ . 1 . 2]" 1
621 1 30 TYR HA 1 31 CYS H 2.870 . 2.870 2.226 2.156 2.283 . 0 0 "[ . 1 . 2]" 1
622 1 31 CYS H 1 31 CYS HB2 3.710 . 3.710 3.563 3.545 3.580 . 0 0 "[ . 1 . 2]" 1
623 1 31 CYS H 1 35 CYS HB2 3.880 . 3.880 3.119 2.991 3.272 . 0 0 "[ . 1 . 2]" 1
624 1 30 TYR HB2 1 31 CYS H 3.190 . 3.190 2.707 2.560 2.851 . 0 0 "[ . 1 . 2]" 1
625 1 31 CYS H 1 31 CYS HB3 2.990 . 2.990 2.590 2.538 2.666 . 0 0 "[ . 1 . 2]" 1
626 1 11 CYS HB2 1 31 CYS H 3.530 . 3.530 2.637 2.409 2.870 . 0 0 "[ . 1 . 2]" 1
627 1 13 ILE HB 1 31 CYS H 5.000 . 5.000 4.483 4.388 4.571 . 0 0 "[ . 1 . 2]" 1
628 1 17 VAL MG2 1 31 CYS H 5.230 . 5.230 4.474 4.385 4.548 . 0 0 "[ . 1 . 2]" 1
629 1 13 ILE QG 1 31 CYS H 5.190 . 5.190 4.751 4.664 4.880 . 0 0 "[ . 1 . 2]" 1
630 1 13 ILE MG 1 31 CYS H 5.890 . 5.890 5.605 5.504 5.702 . 0 0 "[ . 1 . 2]" 1
631 1 32 SER H 1 36 TYR H 4.310 . 4.310 4.028 3.895 4.183 . 0 0 "[ . 1 . 2]" 1
632 1 30 TYR HA 1 32 SER H 4.110 . 4.110 4.035 3.957 4.146 0.036 18 0 "[ . 1 . 2]" 1
633 1 32 SER H 1 32 SER HB2 4.170 . 4.170 3.543 3.080 4.064 . 0 0 "[ . 1 . 2]" 1
634 1 32 SER H 1 32 SER HB3 4.170 . 4.170 3.639 3.220 4.032 . 0 0 "[ . 1 . 2]" 1
635 1 31 CYS HB2 1 32 SER H 4.080 . 4.080 3.997 3.880 4.094 0.014 20 0 "[ . 1 . 2]" 1
636 1 32 SER H 1 35 CYS HB2 3.610 . 3.610 3.178 3.017 3.423 . 0 0 "[ . 1 . 2]" 1
637 1 30 TYR HB2 1 32 SER H 3.250 . 3.250 2.331 2.279 2.386 . 0 0 "[ . 1 . 2]" 1
638 1 30 TYR HB3 1 32 SER H 3.880 . 3.880 3.945 3.894 3.997 0.117 18 0 "[ . 1 . 2]" 1
639 1 32 SER H 1 36 TYR HB2 4.790 . 4.790 4.558 4.398 4.839 0.049 4 0 "[ . 1 . 2]" 1
640 1 34 LYS H 1 35 CYS H 3.450 . 3.450 2.772 2.658 2.940 . 0 0 "[ . 1 . 2]" 1
641 1 34 LYS H 1 36 TYR HB2 4.990 . 4.990 4.828 4.625 4.998 0.008 9 0 "[ . 1 . 2]" 1
642 1 35 CYS H 1 36 TYR H 2.950 . 2.950 2.191 1.985 2.356 . 0 0 "[ . 1 . 2]" 1
643 1 35 CYS H 1 36 TYR HA 4.950 . 4.950 4.816 4.649 4.964 0.014 12 0 "[ . 1 . 2]" 1
644 1 35 CYS H 1 35 CYS HB2 2.870 . 2.870 2.439 2.405 2.507 . 0 0 "[ . 1 . 2]" 1
645 1 35 CYS H 1 36 TYR HB2 4.660 . 4.660 4.268 4.063 4.454 . 0 0 "[ . 1 . 2]" 1
646 1 34 LYS QB 1 35 CYS H 3.110 . 3.110 2.494 2.224 2.745 . 0 0 "[ . 1 . 2]" 1
647 1 34 LYS QD 1 35 CYS H 4.950 . 4.950 4.667 3.567 4.932 . 0 0 "[ . 1 . 2]" 1
648 1 36 TYR H 1 36 TYR HD1 4.660 . 4.660 4.591 4.549 4.620 . 0 0 "[ . 1 . 2]" 1
649 1 33 LEU HA 1 36 TYR H 3.300 . 3.300 2.953 2.724 3.108 . 0 0 "[ . 1 . 2]" 1
650 1 36 TYR H 1 36 TYR HB3 2.930 . 2.930 2.698 2.656 2.735 . 0 0 "[ . 1 . 2]" 1
651 1 36 TYR H 1 36 TYR HB2 2.940 . 2.940 2.357 2.297 2.420 . 0 0 "[ . 1 . 2]" 1
652 1 34 LYS QB 1 36 TYR H 4.590 . 4.590 4.354 4.194 4.504 . 0 0 "[ . 1 . 2]" 1
653 1 33 LEU HG 1 36 TYR H 5.910 . 5.910 5.264 4.708 5.773 . 0 0 "[ . 1 . 2]" 1
654 1 13 ILE MD 1 36 TYR H 4.320 . 4.320 4.031 3.987 4.103 . 0 0 "[ . 1 . 2]" 1
655 1 36 TYR HB3 1 37 LYS H 3.340 . 3.340 2.152 2.039 2.219 . 0 0 "[ . 1 . 2]" 1
656 1 37 LYS H 1 37 LYS HB3 3.640 . 3.640 3.624 3.599 3.662 0.022 17 0 "[ . 1 . 2]" 1
657 1 37 LYS H 1 37 LYS HG2 3.580 . 3.580 3.555 3.138 3.652 0.072 15 0 "[ . 1 . 2]" 1
658 1 37 LYS H 1 38 ASP H 3.390 . 3.390 3.257 2.984 3.380 . 0 0 "[ . 1 . 2]" 1
659 1 37 LYS HA 1 38 ASP H 3.470 . 3.470 2.693 2.574 2.868 . 0 0 "[ . 1 . 2]" 1
660 1 38 ASP H 1 38 ASP HB2 2.970 . 2.970 2.996 2.897 3.051 0.081 1 0 "[ . 1 . 2]" 1
661 1 38 ASP H 1 42 HIS HB2 4.510 . 4.510 3.852 3.546 4.453 . 0 0 "[ . 1 . 2]" 1
662 1 41 LYS H 1 42 HIS HB2 4.910 . 4.910 4.529 4.356 4.757 . 0 0 "[ . 1 . 2]" 1
663 1 41 LYS H 1 41 LYS HB3 3.940 . 3.940 3.686 3.592 3.732 . 0 0 "[ . 1 . 2]" 1
664 1 40 ALA HA 1 42 HIS H 5.420 . 5.420 4.956 4.831 5.099 . 0 0 "[ . 1 . 2]" 1
665 1 42 HIS H 1 43 VAL H 4.350 . 4.350 4.181 3.958 4.374 0.024 12 0 "[ . 1 . 2]" 1
666 1 42 HIS HA 1 43 VAL H 2.820 . 2.820 2.201 2.151 2.278 . 0 0 "[ . 1 . 2]" 1
667 1 41 LYS HA 1 43 VAL H 5.430 . 5.430 4.931 4.603 5.403 . 0 0 "[ . 1 . 2]" 1
668 1 47 SER HA 1 49 GLN H 5.370 . 5.370 4.107 2.912 5.492 0.122 19 0 "[ . 1 . 2]" 1
669 1 29 ARG H 1 29 ARG HD3 5.500 . 5.500 4.518 3.924 4.666 . 0 0 "[ . 1 . 2]" 1
670 1 29 ARG H 1 29 ARG HD2 5.500 . 5.500 5.184 4.739 5.283 . 0 0 "[ . 1 . 2]" 1
671 1 41 LYS H 1 41 LYS HB2 2.920 . 2.920 2.510 2.336 2.571 . 0 0 "[ . 1 . 2]" 1
672 1 40 ALA MB 1 41 LYS H 3.120 . 3.120 2.418 2.343 2.557 . 0 0 "[ . 1 . 2]" 1
673 1 21 TYR HA 1 30 TYR H 5.290 . 5.290 4.998 4.913 5.099 . 0 0 "[ . 1 . 2]" 1
674 1 13 ILE QG 1 36 TYR H 6.000 . 6.000 6.055 6.021 6.093 0.093 13 0 "[ . 1 . 2]" 1
675 1 42 HIS H 1 42 HIS HD2 5.340 . 5.340 4.968 4.880 5.075 . 0 0 "[ . 1 . 2]" 1
676 1 4 MET QB 1 4 MET ME 2.680 . 2.680 2.032 1.935 2.692 0.012 16 0 "[ . 1 . 2]" 1
677 1 9 VAL HA 1 10 LYS QG 4.750 . 4.750 3.518 3.404 3.646 . 0 0 "[ . 1 . 2]" 1
678 1 9 VAL HA 1 19 GLY H 5.080 . 5.080 4.664 4.389 4.747 . 0 0 "[ . 1 . 2]" 1
679 1 10 LYS HA 1 10 LYS QG 3.720 . 3.720 2.983 2.885 3.096 . 0 0 "[ . 1 . 2]" 1
680 1 11 CYS HA 1 19 GLY HA3 3.670 . 3.670 2.849 2.621 3.030 . 0 0 "[ . 1 . 2]" 1
681 1 11 CYS HA 1 29 ARG HB2 4.430 . 4.430 3.877 3.663 4.070 . 0 0 "[ . 1 . 2]" 1
682 1 11 CYS HA 1 29 ARG HB3 4.350 . 4.350 3.347 3.101 3.744 . 0 0 "[ . 1 . 2]" 1
683 1 10 LYS HB3 1 11 CYS HA 5.320 . 5.320 4.915 4.835 5.140 . 0 0 "[ . 1 . 2]" 1
684 1 11 CYS HB3 1 31 CYS HB3 3.970 . 3.970 3.128 3.012 3.241 . 0 0 "[ . 1 . 2]" 1
685 1 10 LYS HA 1 11 CYS HB3 4.930 . 4.930 4.897 4.738 4.938 0.008 2 0 "[ . 1 . 2]" 1
686 1 11 CYS HB2 1 31 CYS HB3 3.430 . 3.430 1.902 1.843 1.969 . 0 0 "[ . 1 . 2]" 1
687 1 11 CYS HB2 1 19 GLY HA2 4.630 . 4.630 3.189 3.117 3.296 . 0 0 "[ . 1 . 2]" 1
688 1 28 VAL HA 1 29 ARG HB2 4.450 . 4.450 4.330 4.279 4.512 0.062 18 0 "[ . 1 . 2]" 1
689 1 13 ILE HA 1 13 ILE QG 3.630 . 3.630 2.386 2.346 2.425 . 0 0 "[ . 1 . 2]" 1
690 1 13 ILE HB 1 35 CYS HB3 3.540 . 3.540 2.073 1.981 2.163 . 0 0 "[ . 1 . 2]" 1
691 1 13 ILE HB 1 35 CYS HB2 3.990 . 3.990 3.295 3.123 3.453 . 0 0 "[ . 1 . 2]" 1
692 1 13 ILE MD 1 41 LYS HB3 4.800 . 4.800 4.485 3.952 4.830 0.030 8 0 "[ . 1 . 2]" 1
693 1 13 ILE MD 1 38 ASP HB3 4.420 . 4.420 3.290 2.956 3.505 . 0 0 "[ . 1 . 2]" 1
694 1 13 ILE QG 1 42 HIS HB2 4.550 . 4.550 3.655 3.081 3.946 . 0 0 "[ . 1 . 2]" 1
695 1 11 CYS HA 1 13 ILE QG 5.600 . 5.600 4.432 4.215 4.558 . 0 0 "[ . 1 . 2]" 1
696 1 12 GLY HA3 1 13 ILE QG 5.800 . 5.800 3.780 3.694 3.849 . 0 0 "[ . 1 . 2]" 1
697 1 11 CYS HB3 1 13 ILE QG 6.000 . 6.000 5.271 5.100 5.369 . 0 0 "[ . 1 . 2]" 1
698 1 13 ILE MG 1 35 CYS HB3 3.610 . 3.610 2.188 2.040 2.312 . 0 0 "[ . 1 . 2]" 1
699 1 13 ILE MG 1 35 CYS HB2 3.940 . 3.940 3.750 3.642 3.859 . 0 0 "[ . 1 . 2]" 1
700 1 14 CYS HA 1 14 CYS HB3 2.920 . 2.920 2.487 2.471 2.506 . 0 0 "[ . 1 . 2]" 1
701 1 14 CYS HA 1 14 CYS HB2 2.860 . 2.860 2.404 2.390 2.416 . 0 0 "[ . 1 . 2]" 1
702 1 13 ILE HB 1 14 CYS HA 4.580 . 4.580 4.572 4.528 4.604 0.024 14 0 "[ . 1 . 2]" 1
703 1 13 ILE MG 1 14 CYS HA 4.070 . 4.070 3.838 3.684 3.970 . 0 0 "[ . 1 . 2]" 1
704 1 13 ILE MG 1 14 CYS HB2 5.060 . 5.060 4.893 4.732 5.037 . 0 0 "[ . 1 . 2]" 1
705 1 17 VAL HB 1 31 CYS HB2 4.910 . 4.910 4.598 4.430 4.756 . 0 0 "[ . 1 . 2]" 1
706 1 17 VAL MG1 1 31 CYS HB3 4.570 . 4.570 4.584 4.556 4.608 0.038 15 0 "[ . 1 . 2]" 1
707 1 8 ALA MB 1 18 ASP HA 4.800 . 4.800 4.585 4.233 4.759 . 0 0 "[ . 1 . 2]" 1
708 1 11 CYS H 1 18 ASP HA 4.000 . 4.000 3.361 3.289 3.530 . 0 0 "[ . 1 . 2]" 1
709 1 19 GLY HA2 1 29 ARG HB3 4.530 . 4.530 3.772 3.621 3.908 . 0 0 "[ . 1 . 2]" 1
710 1 19 GLY HA3 1 29 ARG HB2 4.600 . 4.600 3.828 3.512 3.988 . 0 0 "[ . 1 . 2]" 1
711 1 19 GLY HA3 1 29 ARG HB3 4.040 . 4.040 2.265 2.064 2.442 . 0 0 "[ . 1 . 2]" 1
712 1 20 LYS QB 1 20 LYS QE 4.010 . 4.010 2.457 2.001 3.522 . 0 0 "[ . 1 . 2]" 1
713 1 30 TYR HB2 1 35 CYS HA 5.480 . 5.480 5.023 4.933 5.147 . 0 0 "[ . 1 . 2]" 1
714 1 22 LYS HA 1 29 ARG HA 3.200 . 3.200 2.408 2.339 2.558 . 0 0 "[ . 1 . 2]" 1
715 1 22 LYS HA 1 23 CYS HB3 4.830 . 4.830 4.717 4.667 4.771 . 0 0 "[ . 1 . 2]" 1
716 1 9 VAL QG 1 22 LYS HA 5.520 . 5.520 5.292 5.183 5.379 . 0 0 "[ . 1 . 2]" 1
717 1 21 TYR HB2 1 22 LYS HA 5.830 . 5.830 5.008 4.871 5.129 . 0 0 "[ . 1 . 2]" 1
718 1 23 CYS HA 1 24 PRO HD2 3.410 . 3.410 1.949 1.896 1.985 . 0 0 "[ . 1 . 2]" 1
719 1 23 CYS HA 1 24 PRO HG3 4.530 . 4.530 4.396 4.357 4.441 . 0 0 "[ . 1 . 2]" 1
720 1 23 CYS HA 1 24 PRO HG2 4.450 . 4.450 4.153 4.102 4.185 . 0 0 "[ . 1 . 2]" 1
721 1 23 CYS HA 1 27 GLY H 5.210 . 5.210 4.767 4.709 4.848 . 0 0 "[ . 1 . 2]" 1
722 1 23 CYS HB3 1 25 LYS HG2 5.930 . 5.930 5.484 5.307 5.811 . 0 0 "[ . 1 . 2]" 1
723 1 23 CYS HB3 1 28 VAL MG2 6.000 . 6.000 4.601 4.521 4.665 . 0 0 "[ . 1 . 2]" 1
724 1 24 PRO HB3 1 25 LYS H 4.670 . 4.670 4.433 4.339 4.522 . 0 0 "[ . 1 . 2]" 1
725 1 23 CYS HA 1 24 PRO HD3 3.550 . 3.550 2.498 2.452 2.559 . 0 0 "[ . 1 . 2]" 1
726 1 24 PRO HG3 1 25 LYS HG2 5.010 . 5.010 4.517 4.299 4.765 . 0 0 "[ . 1 . 2]" 1
727 1 24 PRO HG2 1 25 LYS HG2 5.410 . 5.410 2.789 2.551 3.032 . 0 0 "[ . 1 . 2]" 1
728 1 24 PRO HG3 1 25 LYS H 4.710 . 4.710 4.458 4.291 4.646 . 0 0 "[ . 1 . 2]" 1
729 1 25 LYS HA 1 25 LYS HG2 3.790 . 3.790 3.124 2.917 3.223 . 0 0 "[ . 1 . 2]" 1
730 1 26 CYS HA 1 26 CYS HB2 2.880 . 2.880 2.471 2.447 2.494 . 0 0 "[ . 1 . 2]" 1
731 1 26 CYS HA 1 26 CYS HB3 2.880 . 2.880 2.432 2.390 2.468 . 0 0 "[ . 1 . 2]" 1
732 1 26 CYS HA 1 28 VAL H 5.310 . 5.310 4.810 4.604 4.980 . 0 0 "[ . 1 . 2]" 1
733 1 27 GLY HA3 1 28 VAL MG2 5.980 . 5.980 5.734 5.637 5.792 . 0 0 "[ . 1 . 2]" 1
734 1 23 CYS HA 1 27 GLY HA2 5.950 . 5.950 5.623 5.548 5.720 . 0 0 "[ . 1 . 2]" 1
735 1 26 CYS HA 1 27 GLY HA2 6.000 . 6.000 5.097 5.035 5.126 . 0 0 "[ . 1 . 2]" 1
736 1 13 ILE MD 1 28 VAL MG1 2.880 . 2.880 2.357 2.210 2.536 . 0 0 "[ . 1 . 2]" 1
737 1 13 ILE QG 1 28 VAL MG1 4.120 . 4.120 3.320 3.178 3.476 . 0 0 "[ . 1 . 2]" 1
738 1 28 VAL MG1 1 30 TYR HB3 4.210 . 4.210 3.931 3.840 4.022 . 0 0 "[ . 1 . 2]" 1
739 1 23 CYS HB3 1 28 VAL MG1 3.640 . 3.640 1.942 1.895 2.005 . 0 0 "[ . 1 . 2]" 1
740 1 12 GLY HA3 1 28 VAL MG1 5.410 . 5.410 5.427 5.299 5.484 0.074 20 0 "[ . 1 . 2]" 1
741 1 28 VAL MG1 1 29 ARG H 3.900 . 3.900 3.160 3.064 3.259 . 0 0 "[ . 1 . 2]" 1
742 1 13 ILE MD 1 28 VAL MG2 3.630 . 3.630 2.756 2.547 3.055 . 0 0 "[ . 1 . 2]" 1
743 1 12 GLY HA3 1 28 VAL MG2 3.500 . 3.500 3.235 3.002 3.327 . 0 0 "[ . 1 . 2]" 1
744 1 29 ARG HA 1 29 ARG HG3 3.760 . 3.760 3.700 3.665 3.748 . 0 0 "[ . 1 . 2]" 1
745 1 29 ARG HA 1 29 ARG HG2 3.760 . 3.760 2.760 2.665 3.126 . 0 0 "[ . 1 . 2]" 1
746 1 29 ARG HA 1 30 TYR HD1 4.400 . 4.400 4.339 4.226 4.433 0.033 14 0 "[ . 1 . 2]" 1
747 1 29 ARG HA 1 30 TYR HA 4.980 . 4.980 4.379 4.364 4.393 . 0 0 "[ . 1 . 2]" 1
748 1 29 ARG HB3 1 29 ARG HD2 4.100 . 4.100 2.345 2.284 2.419 . 0 0 "[ . 1 . 2]" 1
749 1 19 GLY HA2 1 30 TYR HA 4.630 . 4.630 3.748 3.613 3.885 . 0 0 "[ . 1 . 2]" 1
750 1 11 CYS HA 1 30 TYR HA 3.600 . 3.600 2.701 2.533 2.836 . 0 0 "[ . 1 . 2]" 1
751 1 11 CYS HB2 1 30 TYR HA 4.260 . 4.260 3.436 3.313 3.517 . 0 0 "[ . 1 . 2]" 1
752 1 30 TYR HA 1 30 TYR HB3 3.010 . 3.010 2.248 2.239 2.254 . 0 0 "[ . 1 . 2]" 1
753 1 30 TYR HA 1 35 CYS HB2 4.540 . 4.540 3.646 3.513 3.835 . 0 0 "[ . 1 . 2]" 1
754 1 13 ILE QG 1 30 TYR HA 4.620 . 4.620 3.192 3.061 3.347 . 0 0 "[ . 1 . 2]" 1
755 1 19 GLY HA2 1 31 CYS HA 3.300 . 3.300 2.237 2.114 2.337 . 0 0 "[ . 1 . 2]" 1
756 1 31 CYS HA 1 31 CYS HB2 2.940 . 2.940 2.465 2.450 2.476 . 0 0 "[ . 1 . 2]" 1
757 1 31 CYS HA 1 31 CYS HB3 3.000 . 3.000 2.436 2.426 2.448 . 0 0 "[ . 1 . 2]" 1
758 1 11 CYS HB2 1 31 CYS HA 4.130 . 4.130 3.226 3.074 3.405 . 0 0 "[ . 1 . 2]" 1
759 1 20 LYS QB 1 31 CYS HA 4.800 . 4.800 4.731 4.594 4.840 0.040 7 0 "[ . 1 . 2]" 1
760 1 20 LYS HG2 1 31 CYS HA 4.350 . 4.350 3.081 2.792 3.345 . 0 0 "[ . 1 . 2]" 1
761 1 17 VAL MG2 1 31 CYS HA 4.680 . 4.680 3.217 3.144 3.289 . 0 0 "[ . 1 . 2]" 1
762 1 19 GLY HA2 1 31 CYS HB3 4.770 . 4.770 3.669 3.501 3.760 . 0 0 "[ . 1 . 2]" 1
763 1 30 TYR HD1 1 32 SER HA 4.360 . 4.360 4.433 4.386 4.484 0.124 12 0 "[ . 1 . 2]" 1
764 1 32 SER HA 1 34 LYS H 4.500 . 4.500 4.277 4.174 4.507 0.007 18 0 "[ . 1 . 2]" 1
765 1 33 LEU HA 1 36 TYR HB3 3.190 . 3.190 1.969 1.829 2.152 . 0 0 "[ . 1 . 2]" 1
766 1 33 LEU HA 1 36 TYR HB2 3.510 . 3.510 2.181 2.034 2.286 . 0 0 "[ . 1 . 2]" 1
767 1 33 LEU HA 1 37 LYS H 4.290 . 4.290 3.418 3.087 3.764 . 0 0 "[ . 1 . 2]" 1
768 1 35 CYS HA 1 38 ASP HB3 3.670 . 3.670 3.223 2.843 3.524 . 0 0 "[ . 1 . 2]" 1
769 1 13 ILE MG 1 35 CYS HA 3.300 . 3.300 3.047 2.943 3.171 . 0 0 "[ . 1 . 2]" 1
770 1 35 CYS H 1 35 CYS HB3 3.890 . 3.890 3.636 3.605 3.694 . 0 0 "[ . 1 . 2]" 1
771 1 35 CYS HB3 1 36 TYR H 4.330 . 4.330 3.972 3.919 4.106 . 0 0 "[ . 1 . 2]" 1
772 1 38 ASP HB3 1 40 ALA MB 4.990 . 4.990 4.927 4.751 5.017 0.027 5 0 "[ . 1 . 2]" 1
773 1 38 ASP HB3 1 41 LYS HB2 5.230 . 5.230 4.168 3.726 4.446 . 0 0 "[ . 1 . 2]" 1
774 1 34 LYS HA 1 34 LYS QE 4.340 . 4.340 3.862 2.579 4.447 0.107 16 0 "[ . 1 . 2]" 1
775 1 34 LYS HA 1 34 LYS HG3 3.820 . 3.820 3.624 2.334 3.821 0.001 2 0 "[ . 1 . 2]" 1
776 1 33 LEU QB 1 34 LYS HA 4.240 . 4.240 3.993 3.871 4.130 . 0 0 "[ . 1 . 2]" 1
777 1 43 VAL HA 1 44 HIS HD2 5.030 . 5.030 5.227 5.101 5.320 0.290 16 0 "[ . 1 . 2]" 1
778 1 44 HIS HA 1 44 HIS HD2 3.200 . 3.200 2.004 1.862 2.246 . 0 0 "[ . 1 . 2]" 1
779 1 29 ARG HB3 1 29 ARG HD3 4.100 . 4.100 3.003 2.906 3.292 . 0 0 "[ . 1 . 2]" 1
780 1 13 ILE MD 1 30 TYR HB2 4.030 . 4.030 3.318 3.246 3.420 . 0 0 "[ . 1 . 2]" 1
781 1 21 TYR HB3 1 22 LYS HB3 5.720 . 5.720 5.517 5.343 5.654 . 0 0 "[ . 1 . 2]" 1
782 1 21 TYR HB3 1 22 LYS HA 5.690 . 5.690 4.351 4.266 4.456 . 0 0 "[ . 1 . 2]" 1
783 1 30 TYR HB3 1 36 TYR H 5.420 . 5.420 4.068 3.904 4.236 . 0 0 "[ . 1 . 2]" 1
784 1 29 ARG HA 1 30 TYR HB3 6.000 . 6.000 5.154 5.109 5.236 . 0 0 "[ . 1 . 2]" 1
785 1 30 TYR HB3 1 35 CYS HA 5.490 . 5.490 4.774 4.588 4.895 . 0 0 "[ . 1 . 2]" 1
786 1 30 TYR HB3 1 36 TYR HA 5.570 . 5.570 3.880 3.784 3.974 . 0 0 "[ . 1 . 2]" 1
787 1 21 TYR HB2 1 30 TYR HB2 5.070 . 5.070 4.094 3.845 4.496 . 0 0 "[ . 1 . 2]" 1
788 1 13 ILE HB 1 30 TYR HA 5.380 . 5.380 3.937 3.798 4.102 . 0 0 "[ . 1 . 2]" 1
789 1 28 VAL MG2 1 30 TYR HA 5.430 . 5.430 4.533 4.331 4.663 . 0 0 "[ . 1 . 2]" 1
790 1 29 ARG HB3 1 30 TYR HA 5.250 . 5.250 4.290 4.204 4.475 . 0 0 "[ . 1 . 2]" 1
791 1 9 VAL QG 1 30 TYR HA 6.000 . 6.000 5.544 5.326 5.696 . 0 0 "[ . 1 . 2]" 1
792 1 21 TYR HB2 1 30 TYR HA 6.000 . 6.000 5.340 5.014 5.747 . 0 0 "[ . 1 . 2]" 1
793 1 14 CYS H 1 30 TYR HA 6.000 . 6.000 4.777 4.648 4.881 . 0 0 "[ . 1 . 2]" 1
794 1 15 ARG H 1 30 TYR HA 6.000 . 6.000 5.744 5.588 5.835 . 0 0 "[ . 1 . 2]" 1
795 1 20 LYS H 1 30 TYR HA 6.000 . 6.000 5.815 5.754 5.900 . 0 0 "[ . 1 . 2]" 1
796 1 30 TYR HA 1 36 TYR HA 6.000 . 6.000 6.017 5.914 6.106 0.106 1 0 "[ . 1 . 2]" 1
797 1 36 TYR HB3 1 37 LYS HG3 5.080 . 5.080 2.725 2.288 2.945 . 0 0 "[ . 1 . 2]" 1
798 1 13 ILE QG 1 42 HIS HA 4.750 . 4.750 3.901 3.620 4.309 . 0 0 "[ . 1 . 2]" 1
799 1 36 TYR HD1 1 42 HIS HB2 6.000 . 6.000 5.568 5.233 5.992 . 0 0 "[ . 1 . 2]" 1
800 1 21 TYR HE1 1 32 SER HA 4.680 . 4.680 4.582 4.105 4.734 0.054 19 0 "[ . 1 . 2]" 1
801 1 30 TYR HD1 1 32 SER H 3.830 . 3.830 3.777 3.613 3.919 0.089 12 0 "[ . 1 . 2]" 1
802 1 30 TYR HD1 1 36 TYR H 5.380 . 5.380 5.067 4.900 5.295 . 0 0 "[ . 1 . 2]" 1
803 1 30 TYR HD1 1 31 CYS H 4.660 . 4.660 4.510 4.393 4.581 . 0 0 "[ . 1 . 2]" 1
804 1 23 CYS HB3 1 29 ARG H 5.500 . 5.500 5.568 5.495 5.641 0.141 17 0 "[ . 1 . 2]" 1
805 1 11 CYS HB3 1 31 CYS H 4.510 . 4.510 3.757 3.580 3.930 . 0 0 "[ . 1 . 2]" 1
806 1 35 CYS HB2 1 36 TYR H 3.880 . 3.880 3.088 3.016 3.238 . 0 0 "[ . 1 . 2]" 1
807 1 26 CYS HB3 1 27 GLY H 4.850 . 4.850 4.054 3.931 4.256 . 0 0 "[ . 1 . 2]" 1
808 1 18 ASP HB2 1 19 GLY H 4.410 . 4.410 3.239 2.846 4.237 . 0 0 "[ . 1 . 2]" 1
809 1 22 LYS QD 1 28 VAL H 3.980 . 3.980 3.996 3.841 4.043 0.063 2 0 "[ . 1 . 2]" 1
810 1 13 ILE H 1 13 ILE MD 4.370 . 4.370 4.018 3.921 4.198 . 0 0 "[ . 1 . 2]" 1
811 1 21 TYR HB2 1 30 TYR HD1 4.600 . 4.600 1.994 1.820 2.202 . 0 0 "[ . 1 . 2]" 1
812 1 28 VAL MG1 1 30 TYR HD1 4.790 . 4.790 4.829 4.756 4.860 0.070 19 0 "[ . 1 . 2]" 1
813 1 13 ILE MD 1 30 TYR HD1 5.450 . 5.450 4.958 4.893 5.089 . 0 0 "[ . 1 . 2]" 1
814 1 21 TYR HB2 1 21 TYR HE1 4.990 . 4.990 4.864 4.725 5.084 0.094 19 0 "[ . 1 . 2]" 1
815 1 20 LYS QB 1 21 TYR HD1 4.270 . 4.270 2.900 2.607 3.251 . 0 0 "[ . 1 . 2]" 1
816 1 21 TYR HB2 1 30 TYR HE1 3.890 . 3.890 3.214 2.976 3.442 . 0 0 "[ . 1 . 2]" 1
817 1 30 TYR HD1 1 36 TYR HB2 4.380 . 4.380 3.991 3.767 4.277 . 0 0 "[ . 1 . 2]" 1
818 1 13 ILE HB 1 15 ARG H 4.990 . 4.990 4.490 4.243 4.607 . 0 0 "[ . 1 . 2]" 1
819 1 17 VAL H 1 17 VAL HB 4.060 . 4.060 3.793 3.762 3.828 . 0 0 "[ . 1 . 2]" 1
820 1 31 CYS HB3 1 32 SER H 5.170 . 5.170 4.142 4.064 4.233 . 0 0 "[ . 1 . 2]" 1
821 1 36 TYR HB3 1 36 TYR HD1 3.440 . 3.440 3.323 3.269 3.385 . 0 0 "[ . 1 . 2]" 1
822 1 23 CYS HB2 1 36 TYR HE1 4.190 . 4.190 4.236 4.078 4.326 0.136 2 0 "[ . 1 . 2]" 1
823 1 30 TYR HB2 1 30 TYR HD1 3.360 . 3.360 2.777 2.724 2.839 . 0 0 "[ . 1 . 2]" 1
824 1 24 PRO HD3 1 30 TYR HE1 5.310 . 5.310 5.294 5.079 5.374 0.064 8 0 "[ . 1 . 2]" 1
825 1 24 PRO HD2 1 36 TYR HE1 4.790 . 4.790 4.643 4.369 4.818 0.028 5 0 "[ . 1 . 2]" 1
826 1 35 CYS HA 1 38 ASP H 4.400 . 4.400 4.232 3.787 4.416 0.016 13 0 "[ . 1 . 2]" 1
827 1 13 ILE HA 1 15 ARG H 5.550 . 5.550 4.641 4.505 4.697 . 0 0 "[ . 1 . 2]" 1
828 1 28 VAL MG1 1 30 TYR HB2 5.070 . 5.070 5.000 4.893 5.077 0.007 19 0 "[ . 1 . 2]" 1
829 1 13 ILE MG 1 42 HIS HB3 4.570 . 4.570 4.098 3.664 4.507 . 0 0 "[ . 1 . 2]" 1
830 1 13 ILE QG 1 35 CYS HB2 4.520 . 4.520 4.149 3.913 4.340 . 0 0 "[ . 1 . 2]" 1
831 1 34 LYS HA 1 37 LYS HB2 5.540 . 5.540 4.631 3.989 5.289 . 0 0 "[ . 1 . 2]" 1
832 1 17 VAL MG2 1 31 CYS HB3 4.400 . 4.400 2.366 2.278 2.428 . 0 0 "[ . 1 . 2]" 1
833 1 16 GLY HA3 1 17 VAL MG1 4.310 . 4.310 3.287 3.235 3.335 . 0 0 "[ . 1 . 2]" 1
834 1 39 ALA HA 1 40 ALA MB 4.820 . 4.820 4.737 4.659 4.841 0.021 14 0 "[ . 1 . 2]" 1
835 1 12 GLY HA3 1 29 ARG HB2 5.150 . 5.150 4.054 3.590 4.506 . 0 0 "[ . 1 . 2]" 1
836 1 10 LYS HA 1 17 VAL MG2 5.470 . 5.470 5.013 4.898 5.191 . 0 0 "[ . 1 . 2]" 1
837 1 16 GLY HA2 1 17 VAL MG2 5.850 . 5.850 5.087 4.986 5.152 . 0 0 "[ . 1 . 2]" 1
838 1 9 VAL QG 1 10 LYS HA 5.320 . 5.320 3.537 3.448 4.062 . 0 0 "[ . 1 . 2]" 1
839 1 19 GLY HA2 1 20 LYS QB 4.840 . 4.840 4.822 4.765 4.859 0.019 4 0 "[ . 1 . 2]" 1
840 1 22 LYS HB2 1 22 LYS QE 4.290 . 4.290 4.251 3.971 4.469 0.179 7 0 "[ . 1 . 2]" 1
841 1 17 VAL MG1 1 31 CYS HB2 4.160 . 4.160 4.227 4.196 4.265 0.105 15 0 "[ . 1 . 2]" 1
842 1 13 ILE MG 1 14 CYS HB3 4.200 . 4.200 3.540 3.367 3.702 . 0 0 "[ . 1 . 2]" 1
843 1 33 LEU MD2 1 36 TYR HB3 4.640 . 4.640 3.397 2.133 4.604 . 0 0 "[ . 1 . 2]" 1
844 1 4 MET HA 1 4 MET QG 3.710 . 3.710 2.658 2.368 3.467 . 0 0 "[ . 1 . 2]" 1
845 1 9 VAL QG 1 29 ARG QG . . 4.570 1.903 1.772 2.140 . 0 0 "[ . 1 . 2]" 1
846 1 12 GLY H 1 29 ARG QG 5.810 . 5.810 4.809 4.466 5.121 . 0 0 "[ . 1 . 2]" 1
847 1 13 ILE HA 1 41 LYS QD 4.030 . 4.030 3.621 2.911 4.063 0.033 20 0 "[ . 1 . 2]" 1
848 1 13 ILE MG 1 41 LYS QG 4.030 . 4.030 3.424 2.448 3.637 . 0 0 "[ . 1 . 2]" 1
849 1 13 ILE MG 1 41 LYS QD 3.950 . 3.950 2.507 2.115 3.795 . 0 0 "[ . 1 . 2]" 1
850 1 15 ARG H 1 15 ARG QB 3.510 . 3.510 3.298 3.205 3.373 . 0 0 "[ . 1 . 2]" 1
851 1 15 ARG QB 1 16 GLY H 4.100 . 4.100 3.795 3.746 3.841 . 0 0 "[ . 1 . 2]" 1
852 1 17 VAL HB 1 18 ASP QB 4.600 . 4.600 4.038 3.508 4.209 . 0 0 "[ . 1 . 2]" 1
853 1 18 ASP H 1 18 ASP QB 3.170 . 3.170 2.462 2.189 2.584 . 0 0 "[ . 1 . 2]" 1
854 1 18 ASP QB 1 19 GLY H 3.780 . 3.780 2.892 2.785 3.694 . 0 0 "[ . 1 . 2]" 1
855 1 22 LYS H 1 29 ARG QD 5.390 . 5.390 4.316 4.176 4.782 . 0 0 "[ . 1 . 2]" 1
856 1 22 LYS HA 1 29 ARG QD 3.630 . 3.630 2.404 2.284 2.648 . 0 0 "[ . 1 . 2]" 1
857 1 22 LYS HG2 1 29 ARG QD 4.180 . 4.180 2.404 1.863 2.624 . 0 0 "[ . 1 . 2]" 1
858 1 22 LYS HG3 1 29 ARG QD 4.940 . 4.940 3.100 2.846 3.385 . 0 0 "[ . 1 . 2]" 1
859 1 24 PRO QB 1 25 LYS H 4.050 . 4.050 3.593 3.451 3.728 . 0 0 "[ . 1 . 2]" 1
860 1 24 PRO QB 1 25 LYS HA 5.380 . 5.380 4.113 4.021 4.210 . 0 0 "[ . 1 . 2]" 1
861 1 25 LYS H 1 26 CYS QB 5.520 . 5.520 5.075 4.938 5.193 . 0 0 "[ . 1 . 2]" 1
862 1 26 CYS H 1 26 CYS QB 3.290 . 3.290 2.792 2.659 2.921 . 0 0 "[ . 1 . 2]" 1
863 1 26 CYS QB 1 27 GLY H 4.210 . 4.210 3.531 3.402 3.709 . 0 0 "[ . 1 . 2]" 1
864 1 26 CYS QB 1 28 VAL H 5.020 . 5.020 3.811 3.666 4.004 . 0 0 "[ . 1 . 2]" 1
865 1 26 CYS QB 1 28 VAL HB 4.640 . 4.640 3.745 3.560 3.904 . 0 0 "[ . 1 . 2]" 1
866 1 26 CYS QB 1 44 HIS HA 4.400 . 4.400 3.834 3.203 4.377 . 0 0 "[ . 1 . 2]" 1
867 1 26 CYS QB 1 44 HIS QB 5.030 . 5.030 4.879 4.488 5.113 0.083 19 0 "[ . 1 . 2]" 1
868 1 26 CYS QB 1 44 HIS HD2 3.000 . 3.000 2.175 1.821 2.427 . 0 0 "[ . 1 . 2]" 1
869 1 29 ARG H 1 29 ARG QG 3.810 . 3.810 3.157 2.814 3.265 . 0 0 "[ . 1 . 2]" 1
870 1 29 ARG H 1 29 ARG QD 4.730 . 4.730 4.252 3.746 4.372 . 0 0 "[ . 1 . 2]" 1
871 1 29 ARG HA 1 29 ARG QD 3.350 . 3.350 2.077 1.995 2.140 . 0 0 "[ . 1 . 2]" 1
872 1 29 ARG HB3 1 29 ARG QD 3.580 . 3.580 2.266 2.223 2.361 . 0 0 "[ . 1 . 2]" 1
873 1 29 ARG QG 1 30 TYR H 5.260 . 5.260 4.482 4.426 4.759 . 0 0 "[ . 1 . 2]" 1
874 1 29 ARG QD 1 30 TYR H 4.020 . 4.020 3.328 3.168 3.712 . 0 0 "[ . 1 . 2]" 1
875 1 32 SER H 1 32 SER QB 3.610 . 3.610 3.121 2.958 3.383 . 0 0 "[ . 1 . 2]" 1
876 1 32 SER QB 1 34 LYS H 3.180 . 3.180 2.611 2.325 2.931 . 0 0 "[ . 1 . 2]" 1
877 1 32 SER QB 1 35 CYS H 4.810 . 4.810 3.958 3.478 4.616 . 0 0 "[ . 1 . 2]" 1
878 1 33 LEU HA 1 33 LEU QD 3.050 . 3.050 1.997 1.902 2.095 . 0 0 "[ . 1 . 2]" 1
879 1 33 LEU QD 1 34 LYS H 4.510 . 4.510 4.252 4.070 4.338 . 0 0 "[ . 1 . 2]" 1
880 1 33 LEU QD 1 36 TYR HA 5.270 . 5.270 4.617 4.524 4.674 . 0 0 "[ . 1 . 2]" 1
881 1 33 LEU QD 1 36 TYR HB2 5.110 . 5.110 2.918 2.719 3.074 . 0 0 "[ . 1 . 2]" 1
882 1 33 LEU QD 1 36 TYR HB3 3.720 . 3.720 2.122 1.936 2.325 . 0 0 "[ . 1 . 2]" 1
883 1 33 LEU QD 1 36 TYR HD1 4.380 . 4.380 4.392 4.240 4.473 0.093 11 0 "[ . 1 . 2]" 1
884 1 33 LEU QD 1 36 TYR HE1 5.510 . 5.510 5.223 5.082 5.350 . 0 0 "[ . 1 . 2]" 1
885 1 33 LEU QD 1 37 LYS H 4.510 . 4.510 3.449 3.140 3.737 . 0 0 "[ . 1 . 2]" 1
886 1 33 LEU QD 1 37 LYS HA 4.860 . 4.860 4.671 4.457 4.894 0.034 15 0 "[ . 1 . 2]" 1
887 1 33 LEU QD 1 37 LYS HG2 5.050 . 5.050 3.352 2.992 3.863 . 0 0 "[ . 1 . 2]" 1
888 1 33 LEU QD 1 37 LYS HG3 3.780 . 3.780 2.289 2.110 2.574 . 0 0 "[ . 1 . 2]" 1
889 1 33 LEU QD 1 37 LYS QE 5.390 . 5.390 2.677 1.868 3.922 . 0 0 "[ . 1 . 2]" 1
890 1 40 ALA HA 1 43 VAL QG 4.610 . 4.610 4.132 3.349 4.636 0.026 15 0 "[ . 1 . 2]" 1
891 1 41 LYS H 1 41 LYS QG 3.630 . 3.630 2.703 2.460 2.959 . 0 0 "[ . 1 . 2]" 1
892 1 41 LYS H 1 41 LYS QD 4.620 . 4.620 4.036 3.730 4.216 . 0 0 "[ . 1 . 2]" 1
893 1 41 LYS H 1 43 VAL QG 4.780 . 4.780 4.300 3.869 4.788 0.008 17 0 "[ . 1 . 2]" 1
894 1 41 LYS HA 1 41 LYS QG 3.060 . 3.060 2.489 2.374 2.935 . 0 0 "[ . 1 . 2]" 1
895 1 41 LYS HA 1 43 VAL QG 4.150 . 4.150 3.336 2.870 3.739 . 0 0 "[ . 1 . 2]" 1
896 1 41 LYS QE 1 41 LYS QG 3.210 . 3.210 2.253 2.128 2.390 . 0 0 "[ . 1 . 2]" 1
897 1 41 LYS QG 1 42 HIS H 4.730 . 4.730 4.037 3.832 4.175 . 0 0 "[ . 1 . 2]" 1
898 1 41 LYS QD 1 42 HIS H 5.640 . 5.640 4.710 4.317 4.940 . 0 0 "[ . 1 . 2]" 1
899 1 42 HIS H 1 43 VAL QG 4.060 . 4.060 3.953 3.559 4.177 0.117 17 0 "[ . 1 . 2]" 1
900 1 42 HIS HA 1 43 VAL QG 4.700 . 4.700 3.653 3.471 3.879 . 0 0 "[ . 1 . 2]" 1
901 1 43 VAL H 1 43 VAL QG 3.120 . 3.120 2.411 2.009 2.649 . 0 0 "[ . 1 . 2]" 1
902 1 43 VAL HA 1 43 VAL QG 3.090 . 3.090 2.147 2.122 2.413 . 0 0 "[ . 1 . 2]" 1
903 1 43 VAL QG 1 44 HIS H 4.560 . 4.560 2.613 2.135 2.922 . 0 0 "[ . 1 . 2]" 1
904 1 46 GLU QB 1 47 SER H 4.010 . 4.010 3.008 1.694 3.900 . 0 0 "[ . 1 . 2]" 1
905 1 48 GLU H 1 48 GLU QB 3.670 . 3.670 2.554 2.253 2.967 . 0 0 "[ . 1 . 2]" 1
906 1 48 GLU QB 1 49 GLN H 4.210 . 4.210 3.549 2.300 4.018 . 0 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 26
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 3.586
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_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 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 CYS 0.010 0.010 9 0 "[ . 1 . 2]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 HIS 0.179 0.082 17 0 "[ . 1 . 2]"
1 44 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 ZN 0.000 0.000 . 0 "[ . 1 . 2]"
3 1 ZN 0.170 0.082 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 11 CYS CB 2 1 ZN ZN 3.600 . 3.800 3.334 3.318 3.356 . 0 0 "[ . 1 . 2]" 2
2 1 14 CYS CB 2 1 ZN ZN 3.600 . 3.800 3.341 3.330 3.354 . 0 0 "[ . 1 . 2]" 2
3 1 31 CYS CB 2 1 ZN ZN 3.600 . 3.800 3.408 3.395 3.419 . 0 0 "[ . 1 . 2]" 2
4 1 35 CYS CB 2 1 ZN ZN 3.600 . 3.800 3.388 3.376 3.399 . 0 0 "[ . 1 . 2]" 2
5 1 11 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.294 2.290 2.297 . 0 0 "[ . 1 . 2]" 2
6 1 14 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.296 2.292 2.300 . 0 0 "[ . 1 . 2]" 2
7 1 31 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.309 2.305 2.313 . 0 0 "[ . 1 . 2]" 2
8 1 35 CYS SG 2 1 ZN ZN 2.400 . 2.600 2.303 2.300 2.306 . 0 0 "[ . 1 . 2]" 2
9 1 23 CYS CB 3 1 ZN ZN 3.600 . 3.800 3.354 3.337 3.373 . 0 0 "[ . 1 . 2]" 2
10 1 26 CYS CB 3 1 ZN ZN 3.600 . 3.800 3.337 3.302 3.362 . 0 0 "[ . 1 . 2]" 2
11 1 23 CYS SG 3 1 ZN ZN 2.400 . 2.600 2.301 2.294 2.306 . 0 0 "[ . 1 . 2]" 2
12 1 26 CYS SG 3 1 ZN ZN 2.400 . 2.600 2.297 2.291 2.305 . 0 0 "[ . 1 . 2]" 2
13 1 42 HIS NE2 3 1 ZN ZN 2.100 . 2.300 2.214 2.092 2.382 0.082 17 0 "[ . 1 . 2]" 2
14 1 44 HIS NE2 3 1 ZN ZN 2.100 . 2.300 1.998 1.987 2.014 . 0 0 "[ . 1 . 2]" 2
15 1 11 CYS SG 1 14 CYS SG 3.950 . 4.150 3.658 3.645 3.682 . 0 0 "[ . 1 . 2]" 2
16 1 11 CYS SG 1 31 CYS SG 3.950 . 4.150 3.737 3.728 3.750 . 0 0 "[ . 1 . 2]" 2
17 1 11 CYS SG 1 35 CYS SG 3.950 . 4.150 3.740 3.723 3.753 . 0 0 "[ . 1 . 2]" 2
18 1 14 CYS SG 1 31 CYS SG 3.950 . 4.150 3.825 3.814 3.839 . 0 0 "[ . 1 . 2]" 2
19 1 14 CYS SG 1 35 CYS SG 3.950 . 4.150 3.776 3.760 3.797 . 0 0 "[ . 1 . 2]" 2
20 1 31 CYS SG 1 35 CYS SG 3.950 . 4.150 3.796 3.770 3.809 . 0 0 "[ . 1 . 2]" 2
21 1 23 CYS SG 1 26 CYS SG 3.950 . 4.150 3.650 3.588 3.682 . 0 0 "[ . 1 . 2]" 2
22 1 23 CYS SG 1 42 HIS NE2 3.950 . 4.150 3.506 3.109 4.160 0.010 9 0 "[ . 1 . 2]" 2
23 1 26 CYS SG 1 42 HIS NE2 3.950 . 4.150 3.477 3.020 3.846 . 0 0 "[ . 1 . 2]" 2
24 1 23 CYS SG 1 44 HIS NE2 3.950 . 4.150 3.450 3.396 3.529 . 0 0 "[ . 1 . 2]" 2
25 1 26 CYS SG 1 44 HIS NE2 3.950 . 4.150 3.428 3.380 3.453 . 0 0 "[ . 1 . 2]" 2
26 1 42 HIS NE2 1 44 HIS NE2 3.950 . 4.150 3.820 3.597 4.040 . 0 0 "[ . 1 . 2]" 2
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