NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448498 |
2o10   |
15059 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2o10
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 1074
_Distance_constraint_stats_list.Viol_count 955
_Distance_constraint_stats_list.Viol_total 1880.802
_Distance_constraint_stats_list.Viol_max 1.665
_Distance_constraint_stats_list.Viol_rms 0.0383
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.1037
_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 . ]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LYS 10.704 0.907 10 8 "[ *-*.* * + *.* ]"
1 4 CYS 2.430 0.254 4 0 "[ . 1 . ]"
1 5 GLY 2.360 0.226 3 0 "[ . 1 . ]"
1 6 ALA 0.083 0.051 18 0 "[ . 1 . ]"
1 7 CYS 0.007 0.007 9 0 "[ . 1 . ]"
1 8 GLU 12.464 0.907 10 10 "[**-*.* * + *.* *]"
1 9 LYS 4.586 0.657 5 2 "[ + - . ]"
1 10 THR 4.845 0.225 7 0 "[ . 1 . ]"
1 11 VAL 5.176 0.226 10 0 "[ . 1 . ]"
1 12 TYR 2.070 0.217 1 0 "[ . 1 . ]"
1 13 HIS 0.827 0.334 14 0 "[ . 1 . ]"
1 14 ALA 2.591 0.226 10 0 "[ . 1 . ]"
1 15 GLU 4.327 0.296 4 0 "[ . 1 . ]"
1 16 GLU 0.649 0.081 4 0 "[ . 1 . ]"
1 17 ILE 5.971 0.761 13 3 "[ . * 1 -+ . ]"
1 18 GLN 1.617 0.664 9 1 "[ . +1 . ]"
1 19 CYS 1.811 0.933 5 1 "[ + 1 . ]"
1 20 ASN 1.685 0.566 10 1 "[ . + . ]"
1 21 GLY 0.848 0.566 10 1 "[ . + . ]"
1 22 ARG 0.782 0.309 14 0 "[ . 1 . ]"
1 23 SER 1.134 0.664 9 1 "[ . +1 . ]"
1 24 PHE 2.463 0.933 5 1 "[ + 1 . ]"
1 25 HIS 11.451 0.705 14 3 "[ -.* 1 +. ]"
1 26 LYS 8.823 0.761 13 3 "[ . * 1 -+ . ]"
1 27 THR 0.697 0.180 15 0 "[ . 1 . ]"
1 28 CYS 4.150 0.705 14 3 "[ -.* 1 +. ]"
1 29 PHE 11.227 0.752 8 2 "[ . + 1 - . ]"
1 30 HIS 3.106 0.391 16 0 "[ . 1 . ]"
1 31 CYS 3.091 1.665 6 1 "[ .+ 1 . ]"
1 32 MET 2.488 0.470 10 0 "[ . 1 . ]"
1 33 ALA 0.168 0.053 16 0 "[ . 1 . ]"
1 34 CYS 0.576 0.063 16 0 "[ . 1 . ]"
1 35 ARG 5.074 0.866 10 1 "[ . + . ]"
1 36 LYS 5.078 0.765 4 2 "[ +. 1 * . ]"
1 37 ALA 1.857 0.115 10 0 "[ . 1 . ]"
1 38 LEU 5.654 0.765 4 2 "[ +. 1 - . ]"
1 39 ASP 0.160 0.053 19 0 "[ . 1 . ]"
1 40 SER 1.086 0.517 5 1 "[ + 1 . ]"
1 41 THR 1.086 0.517 5 1 "[ + 1 . ]"
1 42 THR 0.346 0.068 18 0 "[ . 1 . ]"
1 43 VAL 3.673 0.193 10 0 "[ . 1 . ]"
1 44 ALA 1.894 0.240 10 0 "[ . 1 . ]"
1 45 ALA 1.945 0.128 3 0 "[ . 1 . ]"
1 46 HIS 0.660 0.411 11 0 "[ . 1 . ]"
1 47 GLU 1.890 0.411 11 0 "[ . 1 . ]"
1 48 SER 1.114 0.367 4 0 "[ . 1 . ]"
1 49 GLU 2.669 0.546 13 1 "[ . 1 + . ]"
1 50 ILE 4.797 0.240 10 0 "[ . 1 . ]"
1 51 TYR 8.176 0.768 9 1 "[ . +1 . ]"
1 52 CYS 1.828 1.665 6 1 "[ .+ 1 . ]"
1 53 LYS 0.371 0.068 18 0 "[ . 1 . ]"
1 54 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 55 CYS 2.667 0.382 17 0 "[ . 1 . ]"
1 56 TYR 0.457 0.082 9 0 "[ . 1 . ]"
1 57 GLY 1.287 0.363 14 0 "[ . 1 . ]"
1 58 ARG 4.752 0.382 17 0 "[ . 1 . ]"
1 59 ARG 1.645 0.768 9 1 "[ . +1 . ]"
1 60 TYR 0.209 0.068 17 0 "[ . 1 . ]"
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 49 GLU HB3 1 50 ILE H 2.900 . 3.900 2.968 2.242 3.922 0.022 12 0 "[ . 1 . ]" 1
2 1 6 ALA H 1 7 CYS H 2.500 . 3.300 2.178 1.876 2.418 . 0 0 "[ . 1 . ]" 1
3 1 5 GLY H 1 5 GLY HA2 2.900 . 3.900 2.840 2.782 2.883 . 0 0 "[ . 1 . ]" 1
4 1 5 GLY H 1 5 GLY HA3 2.500 . 3.300 2.304 2.294 2.320 . 0 0 "[ . 1 . ]" 1
5 1 4 CYS HA 1 5 GLY H 2.100 . 2.700 2.140 2.125 2.157 . 0 0 "[ . 1 . ]" 1
6 1 4 CYS H 1 4 CYS HB2 2.600 . 3.400 2.366 2.209 2.467 . 0 0 "[ . 1 . ]" 1
7 1 4 CYS H 1 4 CYS HB3 2.600 . 3.500 2.560 2.469 2.668 . 0 0 "[ . 1 . ]" 1
8 1 2 ALA H 1 2 ALA MB 2.500 . 3.300 2.427 2.281 2.724 . 0 0 "[ . 1 . ]" 1
9 1 4 CYS H 1 9 LYS H 1.600 . 6.000 4.068 3.723 4.317 . 0 0 "[ . 1 . ]" 1
10 1 2 ALA HA 1 3 LYS H 2.300 . 3.000 2.672 2.463 2.824 . 0 0 "[ . 1 . ]" 1
11 1 8 GLU HA 1 9 LYS H 2.600 . 3.500 3.066 2.899 3.182 . 0 0 "[ . 1 . ]" 1
12 1 4 CYS HB3 1 9 LYS H 2.700 . 3.600 3.240 2.890 3.565 . 0 0 "[ . 1 . ]" 1
13 1 4 CYS HB2 1 9 LYS H 3.200 . 4.500 4.126 3.486 4.384 . 0 0 "[ . 1 . ]" 1
14 1 9 LYS H 1 9 LYS HB3 3.200 . 4.500 3.624 3.580 3.704 . 0 0 "[ . 1 . ]" 1
15 1 9 LYS H 1 9 LYS HG3 2.700 . 3.600 2.782 2.013 3.893 0.293 4 0 "[ . 1 . ]" 1
16 1 3 LYS H 1 3 LYS HG3 2.700 . 3.600 2.907 2.199 3.357 . 0 0 "[ . 1 . ]" 1
17 1 8 GLU H 1 9 LYS H 2.600 . 3.400 2.302 1.972 2.840 . 0 0 "[ . 1 . ]" 1
18 1 3 LYS QB 1 4 CYS H 3.300 . 4.700 2.826 2.641 3.059 . 0 0 "[ . 1 . ]" 1
19 1 4 CYS H 1 11 VAL MG2 3.200 . 4.500 2.563 2.298 2.825 . 0 0 "[ . 1 . ]" 1
20 1 5 GLY H 1 24 PHE HA 2.900 . 4.000 2.720 2.361 3.184 . 0 0 "[ . 1 . ]" 1
21 1 5 GLY H 1 6 ALA H 2.800 . 3.800 2.658 2.550 2.964 . 0 0 "[ . 1 . ]" 1
22 1 6 ALA H 1 24 PHE QD 2.900 . 6.000 2.878 2.302 4.020 . 0 0 "[ . 1 . ]" 1
23 1 4 CYS HB3 1 7 CYS H 2.600 . 3.400 2.136 1.793 2.489 0.007 9 0 "[ . 1 . ]" 1
24 1 7 CYS H 1 7 CYS HB2 3.600 . 5.200 2.669 2.457 3.809 . 0 0 "[ . 1 . ]" 1
25 1 6 ALA MB 1 7 CYS H 2.500 . 3.300 2.421 2.115 2.867 . 0 0 "[ . 1 . ]" 1
26 1 7 CYS HA 1 8 GLU H 3.400 . 4.800 2.471 2.263 2.624 . 0 0 "[ . 1 . ]" 1
27 1 8 GLU H 1 8 GLU HA 2.300 . 3.000 2.935 2.893 2.948 . 0 0 "[ . 1 . ]" 1
28 1 4 CYS HB3 1 8 GLU H 3.000 . 6.000 4.489 4.238 4.669 . 0 0 "[ . 1 . ]" 1
29 1 4 CYS HB2 1 8 GLU H 3.600 . 6.000 5.852 5.532 6.028 0.028 5 0 "[ . 1 . ]" 1
30 1 8 GLU H 1 8 GLU HG2 2.900 . 4.000 3.583 2.675 4.213 0.213 9 0 "[ . 1 . ]" 1
31 1 10 THR H 1 10 THR HA 2.500 . 3.300 2.885 2.839 2.919 . 0 0 "[ . 1 . ]" 1
32 1 10 THR H 1 10 THR HB 2.900 . 4.000 3.200 2.553 3.504 . 0 0 "[ . 1 . ]" 1
33 1 47 GLU HB3 1 48 SER H 2.700 . 3.600 2.657 1.691 3.524 0.109 5 0 "[ . 1 . ]" 1
34 1 47 GLU HB2 1 48 SER H 2.400 . 3.100 2.205 1.701 3.467 0.367 4 0 "[ . 1 . ]" 1
35 1 47 GLU HG2 1 48 SER H 3.900 . 5.800 4.197 2.728 4.828 . 0 0 "[ . 1 . ]" 1
36 1 10 THR H 1 10 THR MG 3.500 . 5.000 3.283 2.821 3.790 . 0 0 "[ . 1 . ]" 1
37 1 48 SER H 1 49 GLU H 2.500 . 3.300 2.111 1.643 2.531 0.057 16 0 "[ . 1 . ]" 1
38 1 10 THR HA 1 11 VAL H 2.100 . 2.600 2.177 2.133 2.234 . 0 0 "[ . 1 . ]" 1
39 1 11 VAL H 1 11 VAL HB 2.800 . 3.800 2.465 2.366 2.531 . 0 0 "[ . 1 . ]" 1
40 1 10 THR MG 1 11 VAL H 3.600 . 5.200 2.958 2.180 3.437 . 0 0 "[ . 1 . ]" 1
41 1 11 VAL H 1 11 VAL MG1 3.500 . 5.000 3.733 3.653 3.787 . 0 0 "[ . 1 . ]" 1
42 1 11 VAL H 1 11 VAL MG2 3.100 . 4.300 2.877 2.562 3.136 . 0 0 "[ . 1 . ]" 1
43 1 12 TYR H 1 12 TYR QD 3.200 . 6.000 2.935 2.437 3.507 . 0 0 "[ . 1 . ]" 1
44 1 11 VAL HA 1 12 TYR H 2.200 . 2.800 2.165 2.105 2.215 . 0 0 "[ . 1 . ]" 1
45 1 12 TYR H 1 12 TYR HB3 3.600 . 5.200 3.772 3.681 3.867 . 0 0 "[ . 1 . ]" 1
46 1 12 TYR H 1 12 TYR HB2 2.600 . 3.400 2.684 2.503 2.906 . 0 0 "[ . 1 . ]" 1
47 1 11 VAL MG1 1 12 TYR H 3.200 . 4.500 2.619 2.366 2.856 . 0 0 "[ . 1 . ]" 1
48 1 11 VAL MG2 1 12 TYR H 4.200 . 6.000 3.773 3.540 3.949 . 0 0 "[ . 1 . ]" 1
49 1 45 ALA MB 1 46 HIS H 3.200 . 4.400 3.054 2.551 3.479 . 0 0 "[ . 1 . ]" 1
50 1 46 HIS H 1 46 HIS QB 3.300 . 4.700 2.534 2.328 2.753 . 0 0 "[ . 1 . ]" 1
51 1 13 HIS H 1 13 HIS HB3 2.500 . 3.300 2.558 2.318 3.634 0.334 14 0 "[ . 1 . ]" 1
52 1 45 ALA HA 1 46 HIS H 2.300 . 2.900 2.169 2.115 2.266 . 0 0 "[ . 1 . ]" 1
53 1 14 ALA H 1 14 ALA HA 3.000 . 4.200 2.785 2.746 2.900 . 0 0 "[ . 1 . ]" 1
54 1 14 ALA H 1 14 ALA MB 2.800 . 3.800 2.214 2.196 2.272 . 0 0 "[ . 1 . ]" 1
55 1 13 HIS HB3 1 14 ALA H 3.800 . 5.600 4.067 3.063 4.344 . 0 0 "[ . 1 . ]" 1
56 1 14 ALA H 1 15 GLU H 2.900 . 3.900 2.800 2.463 3.000 . 0 0 "[ . 1 . ]" 1
57 1 15 GLU H 1 16 GLU H 2.300 . 3.000 2.638 2.517 2.980 . 0 0 "[ . 1 . ]" 1
58 1 15 GLU H 1 15 GLU HA 2.900 . 3.900 2.921 2.856 2.950 . 0 0 "[ . 1 . ]" 1
59 1 14 ALA HA 1 15 GLU H 3.500 . 5.000 3.557 3.506 3.600 . 0 0 "[ . 1 . ]" 1
60 1 15 GLU H 1 15 GLU HB3 3.100 . 4.300 3.167 2.497 3.490 . 0 0 "[ . 1 . ]" 1
61 1 15 GLU H 1 15 GLU HB2 3.200 . 4.500 3.762 2.864 4.000 . 0 0 "[ . 1 . ]" 1
62 1 14 ALA MB 1 15 GLU H 3.100 . 4.300 2.372 2.171 2.587 . 0 0 "[ . 1 . ]" 1
63 1 15 GLU HA 1 16 GLU H 3.200 . 4.500 2.762 2.568 2.991 . 0 0 "[ . 1 . ]" 1
64 1 15 GLU HB3 1 16 GLU H 4.300 . 6.000 4.574 3.992 4.668 . 0 0 "[ . 1 . ]" 1
65 1 16 GLU H 1 16 GLU HB3 2.600 . 3.400 2.462 2.416 2.554 . 0 0 "[ . 1 . ]" 1
66 1 16 GLU H 1 16 GLU HG2 3.400 . 4.900 4.363 4.309 4.397 . 0 0 "[ . 1 . ]" 1
67 1 14 ALA MB 1 16 GLU H 3.000 . 6.000 4.452 4.112 4.753 . 0 0 "[ . 1 . ]" 1
68 1 11 VAL MG1 1 16 GLU H 4.800 . 6.000 3.879 3.668 4.197 . 0 0 "[ . 1 . ]" 1
69 1 16 GLU H 1 17 ILE H 4.300 . 6.000 4.393 4.325 4.518 . 0 0 "[ . 1 . ]" 1
70 1 11 VAL MG2 1 16 GLU H 5.200 . 6.000 5.778 5.369 6.041 0.041 17 0 "[ . 1 . ]" 1
71 1 54 VAL H 1 55 CYS H 2.600 . 3.400 2.554 2.488 2.720 . 0 0 "[ . 1 . ]" 1
72 1 16 GLU HA 1 17 ILE H 2.100 . 2.700 2.136 2.106 2.157 . 0 0 "[ . 1 . ]" 1
73 1 55 CYS H 1 55 CYS HA 2.700 . 3.600 2.845 2.834 2.856 . 0 0 "[ . 1 . ]" 1
74 1 55 CYS H 1 55 CYS HB3 3.500 . 5.000 3.609 3.549 3.624 . 0 0 "[ . 1 . ]" 1
75 1 55 CYS H 1 55 CYS HB2 2.600 . 3.400 2.490 2.309 2.540 . 0 0 "[ . 1 . ]" 1
76 1 16 GLU HG3 1 17 ILE H 2.900 . 4.000 3.474 3.117 3.833 . 0 0 "[ . 1 . ]" 1
77 1 16 GLU HG2 1 17 ILE H 2.700 . 3.600 3.231 2.818 3.560 . 0 0 "[ . 1 . ]" 1
78 1 17 ILE H 1 17 ILE HB 2.700 . 3.600 2.633 2.475 3.066 . 0 0 "[ . 1 . ]" 1
79 1 54 VAL QG 1 55 CYS H 3.800 . 5.600 3.046 2.188 3.188 . 0 0 "[ . 1 . ]" 1
80 1 17 ILE H 1 17 ILE MG 3.700 . 5.400 3.581 2.456 3.843 . 0 0 "[ . 1 . ]" 1
81 1 18 GLN HE21 1 18 GLN HG3 3.000 . 4.200 2.682 2.210 3.485 . 0 0 "[ . 1 . ]" 1
82 1 18 GLN HB3 1 18 GLN HE21 3.400 . 4.800 3.731 1.735 4.622 0.265 17 0 "[ . 1 . ]" 1
83 1 18 GLN H 1 18 GLN HA 3.000 . 4.100 2.923 2.891 2.947 . 0 0 "[ . 1 . ]" 1
84 1 17 ILE HA 1 18 GLN H 2.100 . 2.700 2.163 2.129 2.255 . 0 0 "[ . 1 . ]" 1
85 1 18 GLN H 1 18 GLN HG2 3.800 . 5.600 3.749 2.498 4.547 . 0 0 "[ . 1 . ]" 1
86 1 17 ILE HB 1 18 GLN H 3.700 . 5.400 4.341 4.285 4.418 . 0 0 "[ . 1 . ]" 1
87 1 17 ILE HG12 1 18 GLN H 4.400 . 6.000 4.186 2.667 5.117 . 0 0 "[ . 1 . ]" 1
88 1 17 ILE MG 1 18 GLN H 3.100 . 4.300 2.935 2.549 3.748 . 0 0 "[ . 1 . ]" 1
89 1 18 GLN H 1 19 CYS H 4.300 . 6.000 4.207 4.066 4.327 . 0 0 "[ . 1 . ]" 1
90 1 18 GLN HA 1 19 CYS H 2.200 . 2.800 2.137 2.083 2.179 . 0 0 "[ . 1 . ]" 1
91 1 19 CYS H 1 20 ASN HA 3.700 . 6.000 5.947 5.806 6.067 0.067 11 0 "[ . 1 . ]" 1
92 1 19 CYS H 1 19 CYS HB3 3.200 . 4.500 2.744 2.523 3.730 . 0 0 "[ . 1 . ]" 1
93 1 19 CYS H 1 19 CYS HB2 3.200 . 4.500 2.878 2.556 3.552 . 0 0 "[ . 1 . ]" 1
94 1 18 GLN HG2 1 19 CYS H 4.500 . 6.000 4.575 3.977 5.715 . 0 0 "[ . 1 . ]" 1
95 1 18 GLN HB3 1 19 CYS H 3.400 . 4.800 3.745 3.500 3.981 . 0 0 "[ . 1 . ]" 1
96 1 19 CYS H 1 22 ARG H 2.900 . 3.900 3.277 2.984 3.922 0.022 2 0 "[ . 1 . ]" 1
97 1 20 ASN HD21 1 45 ALA MB 3.600 . 5.200 4.234 2.512 4.918 . 0 0 "[ . 1 . ]" 1
98 1 20 ASN HB2 1 20 ASN HD21 3.200 . 4.400 2.967 2.275 3.456 . 0 0 "[ . 1 . ]" 1
99 1 20 ASN HB3 1 20 ASN HD21 2.900 . 4.000 2.355 2.151 3.504 . 0 0 "[ . 1 . ]" 1
100 1 20 ASN HD21 1 21 GLY HA3 3.600 . 5.200 4.704 3.337 5.766 0.566 10 1 "[ . + . ]" 1
101 1 20 ASN HA 1 20 ASN HD21 4.000 . 6.000 4.172 2.806 4.509 . 0 0 "[ . 1 . ]" 1
102 1 20 ASN HD21 1 49 GLU H 4.000 . 6.000 5.044 3.241 5.986 . 0 0 "[ . 1 . ]" 1
103 1 20 ASN HD22 1 47 GLU H 3.800 . 5.600 4.433 2.813 5.654 0.054 19 0 "[ . 1 . ]" 1
104 1 20 ASN HD21 1 47 GLU H 4.100 . 6.000 4.724 3.325 6.020 0.020 1 0 "[ . 1 . ]" 1
105 1 20 ASN HD22 1 21 GLY HA3 3.000 . 6.000 5.030 4.360 5.703 . 0 0 "[ . 1 . ]" 1
106 1 20 ASN HD22 1 45 ALA MB 4.100 . 6.000 5.010 2.739 5.877 . 0 0 "[ . 1 . ]" 1
107 1 20 ASN HA 1 21 GLY H 2.900 . 3.900 3.505 2.638 3.588 . 0 0 "[ . 1 . ]" 1
108 1 21 GLY H 1 21 GLY HA3 2.800 . 3.800 2.763 2.618 2.944 . 0 0 "[ . 1 . ]" 1
109 1 21 GLY H 1 22 ARG HB3 5.000 . 6.000 4.891 3.596 5.785 . 0 0 "[ . 1 . ]" 1
110 1 22 ARG H 1 22 ARG HA 2.800 . 3.800 2.932 2.896 2.948 . 0 0 "[ . 1 . ]" 1
111 1 22 ARG H 1 22 ARG HB3 3.200 . 4.500 3.454 2.496 3.817 . 0 0 "[ . 1 . ]" 1
112 1 21 GLY HA2 1 22 ARG H 3.400 . 4.800 3.134 2.871 3.571 . 0 0 "[ . 1 . ]" 1
113 1 52 CYS QB 1 54 VAL H 3.200 . 4.500 2.939 2.380 3.323 . 0 0 "[ . 1 . ]" 1
114 1 21 GLY HA3 1 22 ARG H 3.600 . 5.200 3.364 2.794 3.540 . 0 0 "[ . 1 . ]" 1
115 1 53 LYS HA 1 54 VAL H 2.700 . 3.600 3.381 3.299 3.486 . 0 0 "[ . 1 . ]" 1
116 1 54 VAL H 1 54 VAL QG 3.200 . 4.500 2.146 2.006 2.275 . 0 0 "[ . 1 . ]" 1
117 1 21 GLY H 1 22 ARG H 2.900 . 4.000 1.893 1.764 2.680 0.036 15 0 "[ . 1 . ]" 1
118 1 22 ARG HA 1 23 SER H 2.400 . 3.100 2.222 2.098 2.522 . 0 0 "[ . 1 . ]" 1
119 1 23 SER H 1 23 SER QB . . 3.300 2.483 2.355 2.887 . 0 0 "[ . 1 . ]" 1
120 1 22 ARG HB3 1 23 SER H 2.900 . 4.000 3.241 2.075 4.149 0.149 14 0 "[ . 1 . ]" 1
121 1 22 ARG HB2 1 23 SER H 3.100 . 4.300 4.039 3.327 4.329 0.029 6 0 "[ . 1 . ]" 1
122 1 24 PHE H 1 24 PHE QD 3.000 . 4.200 2.991 2.479 3.345 . 0 0 "[ . 1 . ]" 1
123 1 18 GLN HA 1 24 PHE H 4.000 . 6.000 3.408 3.193 3.620 . 0 0 "[ . 1 . ]" 1
124 1 23 SER HA 1 24 PHE H 2.400 . 3.100 2.141 2.111 2.167 . 0 0 "[ . 1 . ]" 1
125 1 23 SER QB 1 24 PHE H 3.100 . 4.300 3.310 3.069 3.858 . 0 0 "[ . 1 . ]" 1
126 1 24 PHE H 1 24 PHE HB3 3.800 . 5.600 3.771 3.697 3.836 . 0 0 "[ . 1 . ]" 1
127 1 24 PHE H 1 24 PHE HB2 2.700 . 3.600 2.654 2.525 2.799 . 0 0 "[ . 1 . ]" 1
128 1 16 GLU HG3 1 24 PHE H 3.800 . 5.600 4.038 3.435 5.124 . 0 0 "[ . 1 . ]" 1
129 1 18 GLN HB3 1 24 PHE H 2.700 . 6.000 5.832 5.567 6.088 0.088 8 0 "[ . 1 . ]" 1
130 1 17 ILE HB 1 24 PHE H 3.800 . 5.600 3.897 3.470 4.976 . 0 0 "[ . 1 . ]" 1
131 1 17 ILE MD 1 24 PHE H 4.800 . 6.000 5.355 4.821 5.759 . 0 0 "[ . 1 . ]" 1
132 1 17 ILE MG 1 24 PHE H 4.200 . 6.000 3.840 2.630 4.425 . 0 0 "[ . 1 . ]" 1
133 1 24 PHE HA 1 25 HIS H 2.300 . 3.000 2.365 2.243 2.481 . 0 0 "[ . 1 . ]" 1
134 1 25 HIS H 1 25 HIS HB3 3.500 . 5.000 3.602 3.467 3.655 . 0 0 "[ . 1 . ]" 1
135 1 25 HIS H 1 28 CYS HB2 3.100 . 4.300 2.389 1.953 4.422 0.122 4 0 "[ . 1 . ]" 1
136 1 24 PHE HB2 1 25 HIS H 4.200 . 6.000 3.685 3.436 3.957 . 0 0 "[ . 1 . ]" 1
137 1 4 CYS HB2 1 25 HIS H 3.800 . 5.600 3.990 3.567 4.194 . 0 0 "[ . 1 . ]" 1
138 1 11 VAL MG2 1 25 HIS H 3.300 . 4.600 3.049 2.847 3.439 . 0 0 "[ . 1 . ]" 1
139 1 11 VAL MG1 1 25 HIS H 4.100 . 6.000 4.369 3.979 4.893 . 0 0 "[ . 1 . ]" 1
140 1 25 HIS HA 1 26 LYS H 2.400 . 3.100 2.276 2.190 2.367 . 0 0 "[ . 1 . ]" 1
141 1 26 LYS H 1 27 THR HA 4.600 . 6.000 5.243 5.145 5.421 . 0 0 "[ . 1 . ]" 1
142 1 26 LYS H 1 26 LYS HA 2.700 . 3.600 2.805 2.745 2.837 . 0 0 "[ . 1 . ]" 1
143 1 25 HIS HB3 1 26 LYS H 3.300 . 4.600 2.787 2.449 3.044 . 0 0 "[ . 1 . ]" 1
144 1 15 GLU HB2 1 26 LYS H 4.700 . 6.000 2.342 1.829 4.823 0.071 7 0 "[ . 1 . ]" 1
145 1 15 GLU HB3 1 26 LYS H 3.300 . 4.700 3.803 3.468 4.387 . 0 0 "[ . 1 . ]" 1
146 1 26 LYS H 1 26 LYS HB2 2.500 . 3.300 2.487 2.328 2.707 . 0 0 "[ . 1 . ]" 1
147 1 26 LYS H 1 26 LYS HD3 4.600 . 6.000 5.113 4.537 5.941 . 0 0 "[ . 1 . ]" 1
148 1 26 LYS H 1 26 LYS HG3 3.500 . 5.000 4.230 2.340 4.609 . 0 0 "[ . 1 . ]" 1
149 1 26 LYS H 1 27 THR H 3.300 . 4.700 2.596 2.487 2.819 . 0 0 "[ . 1 . ]" 1
150 1 25 HIS HB3 1 27 THR H 3.400 . 4.800 2.279 1.997 2.643 0.003 9 0 "[ . 1 . ]" 1
151 1 25 HIS H 1 28 CYS H 5.000 . 6.000 3.898 3.650 4.148 . 0 0 "[ . 1 . ]" 1
152 1 27 THR HB 1 28 CYS H 2.900 . 4.000 3.588 2.605 4.180 0.180 15 0 "[ . 1 . ]" 1
153 1 25 HIS HB3 1 28 CYS H 2.200 . 2.800 2.892 2.009 3.505 0.705 14 3 "[ -.* 1 +. ]" 1
154 1 28 CYS H 1 28 CYS HB2 2.800 . 3.800 2.638 2.393 3.522 . 0 0 "[ . 1 . ]" 1
155 1 28 CYS H 1 29 PHE HB2 4.600 . 6.000 4.135 3.785 4.428 . 0 0 "[ . 1 . ]" 1
156 1 29 PHE H 1 29 PHE QD 4.200 . 6.000 4.211 4.182 4.249 . 0 0 "[ . 1 . ]" 1
157 1 28 CYS HA 1 29 PHE H 3.300 . 4.600 3.132 2.907 3.365 . 0 0 "[ . 1 . ]" 1
158 1 29 PHE H 1 29 PHE HA 3.000 . 4.100 2.880 2.835 2.914 . 0 0 "[ . 1 . ]" 1
159 1 29 PHE H 1 29 PHE HB3 2.600 . 3.400 2.552 2.440 2.669 . 0 0 "[ . 1 . ]" 1
160 1 29 PHE H 1 29 PHE HB2 2.800 . 3.800 2.642 2.462 2.751 . 0 0 "[ . 1 . ]" 1
161 1 17 ILE HB 1 29 PHE H 5.300 . 6.000 5.522 4.936 5.866 . 0 0 "[ . 1 . ]" 1
162 1 30 HIS H 1 30 HIS HD2 3.400 . 4.800 4.078 3.451 4.890 0.090 10 0 "[ . 1 . ]" 1
163 1 30 HIS H 1 30 HIS HA 2.800 . 3.800 2.887 2.835 2.940 . 0 0 "[ . 1 . ]" 1
164 1 29 PHE HA 1 30 HIS H 2.500 . 3.300 3.068 2.303 3.383 0.083 18 0 "[ . 1 . ]" 1
165 1 30 HIS H 1 37 ALA HA 5.200 . 6.000 5.125 4.722 5.743 . 0 0 "[ . 1 . ]" 1
166 1 29 PHE HB3 1 30 HIS H 4.200 . 6.000 3.656 3.149 4.438 . 0 0 "[ . 1 . ]" 1
167 1 30 HIS H 1 30 HIS HB3 2.900 . 3.900 3.188 2.851 3.798 . 0 0 "[ . 1 . ]" 1
168 1 43 VAL H 1 50 ILE MD 3.700 . 6.000 5.680 5.375 5.956 . 0 0 "[ . 1 . ]" 1
169 1 30 HIS H 1 31 CYS H 3.900 . 5.800 4.481 4.332 4.554 . 0 0 "[ . 1 . ]" 1
170 1 31 CYS H 1 35 ARG H 4.000 . 6.000 4.704 4.334 5.028 . 0 0 "[ . 1 . ]" 1
171 1 30 HIS HA 1 31 CYS H 2.700 . 3.600 2.598 2.508 2.663 . 0 0 "[ . 1 . ]" 1
172 1 31 CYS H 1 36 LYS HA 4.300 . 6.000 4.735 4.567 4.955 . 0 0 "[ . 1 . ]" 1
173 1 31 CYS H 1 31 CYS HA 2.900 . 3.900 2.754 2.695 2.816 . 0 0 "[ . 1 . ]" 1
174 1 31 CYS H 1 31 CYS QB 2.400 . 3.100 2.210 2.160 2.324 . 0 0 "[ . 1 . ]" 1
175 1 30 HIS HB3 1 31 CYS H 3.400 . 6.000 3.369 2.184 3.634 . 0 0 "[ . 1 . ]" 1
176 1 31 CYS H 1 38 LEU MD2 3.700 . 5.400 1.986 1.873 2.263 0.127 19 0 "[ . 1 . ]" 1
177 1 31 CYS H 1 38 LEU MD1 4.700 . 6.000 4.617 4.507 4.851 . 0 0 "[ . 1 . ]" 1
178 1 34 CYS H 1 35 ARG H 2.300 . 3.000 2.786 2.063 3.063 0.063 16 0 "[ . 1 . ]" 1
179 1 31 CYS H 1 38 LEU H 4.200 . 6.000 3.488 2.950 3.800 . 0 0 "[ . 1 . ]" 1
180 1 32 MET H 1 51 TYR QD 4.000 . 6.000 2.965 2.521 3.556 . 0 0 "[ . 1 . ]" 1
181 1 32 MET H 1 51 TYR QE 4.700 . 6.000 4.179 3.764 4.944 . 0 0 "[ . 1 . ]" 1
182 1 32 MET H 1 51 TYR HA 2.900 . 4.000 2.802 2.537 3.289 . 0 0 "[ . 1 . ]" 1
183 1 31 CYS HA 1 32 MET H 2.100 . 2.700 2.080 1.977 2.117 . 0 0 "[ . 1 . ]" 1
184 1 31 CYS QB 1 32 MET H 4.300 . 6.000 3.704 3.651 3.805 . 0 0 "[ . 1 . ]" 1
185 1 32 MET H 1 32 MET HG3 3.600 . 5.200 3.646 3.312 4.312 . 0 0 "[ . 1 . ]" 1
186 1 32 MET H 1 32 MET HG2 3.100 . 4.300 2.313 1.957 4.423 0.123 10 0 "[ . 1 . ]" 1
187 1 32 MET H 1 32 MET HB3 3.900 . 5.800 3.505 2.320 3.607 . 0 0 "[ . 1 . ]" 1
188 1 32 MET H 1 32 MET HB2 2.700 . 3.600 2.537 2.426 3.398 . 0 0 "[ . 1 . ]" 1
189 1 32 MET H 1 33 ALA H 2.700 . 3.600 2.519 2.461 2.621 . 0 0 "[ . 1 . ]" 1
190 1 33 ALA H 1 51 TYR QD 3.100 . 4.300 2.278 1.891 2.866 0.009 8 0 "[ . 1 . ]" 1
191 1 33 ALA H 1 51 TYR QE 4.100 . 6.000 3.595 3.074 4.233 . 0 0 "[ . 1 . ]" 1
192 1 33 ALA H 1 35 ARG HA 3.600 . 5.200 4.942 4.399 5.253 0.053 16 0 "[ . 1 . ]" 1
193 1 32 MET HB3 1 33 ALA H 4.200 . 6.000 4.087 3.527 4.528 . 0 0 "[ . 1 . ]" 1
194 1 33 ALA H 1 33 ALA MB 2.500 . 3.300 2.326 2.265 2.452 . 0 0 "[ . 1 . ]" 1
195 1 33 ALA H 1 34 CYS H 2.500 . 3.300 2.565 2.355 2.817 . 0 0 "[ . 1 . ]" 1
196 1 33 ALA H 1 35 ARG H 3.700 . 5.400 4.442 2.976 5.218 . 0 0 "[ . 1 . ]" 1
197 1 34 CYS H 1 35 ARG HA 3.500 . 5.100 4.323 4.119 4.540 . 0 0 "[ . 1 . ]" 1
198 1 34 CYS H 1 34 CYS HB3 2.900 . 3.900 2.924 2.628 3.112 . 0 0 "[ . 1 . ]" 1
199 1 34 CYS H 1 34 CYS HB2 3.300 . 4.600 3.723 3.648 3.793 . 0 0 "[ . 1 . ]" 1
200 1 33 ALA MB 1 34 CYS H 2.500 . 3.300 2.250 1.943 2.535 . 0 0 "[ . 1 . ]" 1
201 1 34 CYS H 1 36 LYS H 3.800 . 5.600 3.779 3.289 4.106 . 0 0 "[ . 1 . ]" 1
202 1 35 ARG H 1 36 LYS H 2.100 . 2.600 1.873 1.509 2.633 0.091 1 0 "[ . 1 . ]" 1
203 1 34 CYS HA 1 35 ARG H 3.900 . 5.800 3.412 3.225 3.487 . 0 0 "[ . 1 . ]" 1
204 1 35 ARG H 1 35 ARG HA 2.200 . 2.800 2.598 2.242 2.818 0.018 10 0 "[ . 1 . ]" 1
205 1 35 ARG H 1 35 ARG HD3 4.200 . 6.000 4.331 3.091 6.121 0.121 10 0 "[ . 1 . ]" 1
206 1 31 CYS QB 1 35 ARG H . . 3.500 2.489 2.037 2.849 . 0 0 "[ . 1 . ]" 1
207 1 35 ARG H 1 35 ARG HB2 3.600 . 5.200 3.401 3.076 3.622 . 0 0 "[ . 1 . ]" 1
208 1 35 ARG H 1 35 ARG HG3 3.800 . 5.600 4.790 4.464 5.195 . 0 0 "[ . 1 . ]" 1
209 1 36 LYS H 1 36 LYS HB3 2.400 . 3.100 2.535 2.443 3.177 0.077 12 0 "[ . 1 . ]" 1
210 1 36 LYS H 1 36 LYS HB2 2.500 . 3.300 2.457 2.024 2.638 . 0 0 "[ . 1 . ]" 1
211 1 37 ALA H 1 38 LEU H 4.500 . 6.000 4.407 4.095 4.578 . 0 0 "[ . 1 . ]" 1
212 1 36 LYS HA 1 37 ALA H 2.200 . 2.800 2.215 2.170 2.274 . 0 0 "[ . 1 . ]" 1
213 1 37 ALA H 1 37 ALA HA 2.800 . 3.800 2.862 2.826 2.890 . 0 0 "[ . 1 . ]" 1
214 1 36 LYS HB3 1 37 ALA H 3.800 . 5.600 4.081 3.681 4.194 . 0 0 "[ . 1 . ]" 1
215 1 36 LYS HB2 1 37 ALA H 4.200 . 6.000 4.183 3.999 4.471 . 0 0 "[ . 1 . ]" 1
216 1 37 ALA H 1 37 ALA MB 2.400 . 3.100 2.258 2.237 2.277 . 0 0 "[ . 1 . ]" 1
217 1 30 HIS HA 1 38 LEU H 3.800 . 5.600 2.306 2.103 2.832 . 0 0 "[ . 1 . ]" 1
218 1 38 LEU H 1 38 LEU HA 2.900 . 3.900 2.908 2.844 2.947 . 0 0 "[ . 1 . ]" 1
219 1 37 ALA HA 1 38 LEU H 2.100 . 2.700 2.170 2.125 2.267 . 0 0 "[ . 1 . ]" 1
220 1 38 LEU H 1 38 LEU MD2 2.800 . 6.000 2.607 2.273 3.055 . 0 0 "[ . 1 . ]" 1
221 1 38 LEU H 1 38 LEU HB3 3.500 . 5.000 3.528 3.441 3.583 . 0 0 "[ . 1 . ]" 1
222 1 38 LEU H 1 38 LEU MD1 4.100 . 6.000 3.867 3.665 4.049 . 0 0 "[ . 1 . ]" 1
223 1 38 LEU H 1 38 LEU HG 4.700 . 6.000 4.332 4.119 4.625 . 0 0 "[ . 1 . ]" 1
224 1 29 PHE QE 1 39 ASP H 3.900 . 5.800 4.529 3.912 5.142 . 0 0 "[ . 1 . ]" 1
225 1 38 LEU HA 1 39 ASP H 2.400 . 3.100 2.199 2.111 2.268 . 0 0 "[ . 1 . ]" 1
226 1 39 ASP H 1 39 ASP HB2 3.300 . 4.700 2.981 2.459 3.816 . 0 0 "[ . 1 . ]" 1
227 1 38 LEU MD2 1 39 ASP H 4.600 . 6.000 4.445 4.210 4.614 . 0 0 "[ . 1 . ]" 1
228 1 38 LEU HB3 1 39 ASP H 2.400 . 3.100 2.906 2.702 3.129 0.029 7 0 "[ . 1 . ]" 1
229 1 38 LEU MD1 1 39 ASP H 3.300 . 4.700 2.785 2.382 3.084 . 0 0 "[ . 1 . ]" 1
230 1 38 LEU HG 1 39 ASP H 4.800 . 6.000 4.679 4.359 4.960 . 0 0 "[ . 1 . ]" 1
231 1 42 THR H 1 43 VAL H 2.300 . 2.900 2.246 1.854 2.640 . 0 0 "[ . 1 . ]" 1
232 1 41 THR H 1 41 THR MG 2.900 . 3.900 3.034 1.958 3.830 . 0 0 "[ . 1 . ]" 1
233 1 40 SER HB3 1 41 THR H 3.600 . 5.200 3.893 2.945 4.379 . 0 0 "[ . 1 . ]" 1
234 1 41 THR H 1 41 THR HA 3.000 . 4.100 2.916 2.867 2.936 . 0 0 "[ . 1 . ]" 1
235 1 41 THR H 1 43 VAL H 4.100 . 6.000 4.082 3.924 4.297 . 0 0 "[ . 1 . ]" 1
236 1 41 THR H 1 42 THR H 2.400 . 3.100 2.360 2.217 2.520 . 0 0 "[ . 1 . ]" 1
237 1 43 VAL H 1 44 ALA H 4.300 . 6.000 4.548 4.508 4.584 . 0 0 "[ . 1 . ]" 1
238 1 42 THR H 1 42 THR HA 2.600 . 3.400 2.923 2.854 2.952 . 0 0 "[ . 1 . ]" 1
239 1 42 THR H 1 42 THR MG 2.600 . 3.500 2.847 2.587 3.282 . 0 0 "[ . 1 . ]" 1
240 1 42 THR H 1 43 VAL MG1 3.700 . 5.400 3.216 2.804 3.638 . 0 0 "[ . 1 . ]" 1
241 1 43 VAL H 1 43 VAL HB 2.900 . 4.000 2.894 2.816 3.004 . 0 0 "[ . 1 . ]" 1
242 1 43 VAL H 1 43 VAL MG1 2.200 . 2.800 1.761 1.667 1.815 . 0 0 "[ . 1 . ]" 1
243 1 43 VAL H 1 43 VAL MG2 3.900 . 5.800 3.740 3.694 3.768 . 0 0 "[ . 1 . ]" 1
244 1 38 LEU MD1 1 43 VAL H 4.000 . 6.000 2.916 2.673 3.517 . 0 0 "[ . 1 . ]" 1
245 1 44 ALA H 1 52 CYS HA 3.600 . 5.200 3.462 3.260 3.800 . 0 0 "[ . 1 . ]" 1
246 1 43 VAL HA 1 44 ALA H 2.200 . 2.800 2.127 2.089 2.160 . 0 0 "[ . 1 . ]" 1
247 1 43 VAL HB 1 44 ALA H 4.300 . 6.000 3.950 3.886 4.036 . 0 0 "[ . 1 . ]" 1
248 1 43 VAL MG1 1 44 ALA H 4.700 . 6.000 4.170 4.085 4.232 . 0 0 "[ . 1 . ]" 1
249 1 43 VAL MG2 1 44 ALA H 2.400 . 6.000 2.577 2.435 2.723 . 0 0 "[ . 1 . ]" 1
250 1 38 LEU HG 1 44 ALA H 4.100 . 6.000 3.691 3.457 3.983 . 0 0 "[ . 1 . ]" 1
251 1 45 ALA H 1 45 ALA HA 3.000 . 4.100 2.931 2.905 2.945 . 0 0 "[ . 1 . ]" 1
252 1 44 ALA HA 1 45 ALA H 2.200 . 2.800 2.151 2.122 2.165 . 0 0 "[ . 1 . ]" 1
253 1 45 ALA H 1 45 ALA MB 2.500 . 3.300 2.367 2.295 2.422 . 0 0 "[ . 1 . ]" 1
254 1 44 ALA MB 1 45 ALA H 3.500 . 5.000 3.385 3.310 3.420 . 0 0 "[ . 1 . ]" 1
255 1 47 GLU H 1 47 GLU HA 2.500 . 3.300 2.257 2.247 2.265 . 0 0 "[ . 1 . ]" 1
256 1 47 GLU H 1 47 GLU HG2 4.000 . 6.000 3.546 2.989 5.263 . 0 0 "[ . 1 . ]" 1
257 1 48 SER HA 1 49 GLU H 3.100 . 4.300 3.193 2.925 3.518 . 0 0 "[ . 1 . ]" 1
258 1 49 GLU H 1 49 GLU HA 2.900 . 4.000 2.939 2.904 2.953 . 0 0 "[ . 1 . ]" 1
259 1 49 GLU H 1 49 GLU HG3 2.700 . 3.600 3.199 2.541 4.146 0.546 13 1 "[ . 1 + . ]" 1
260 1 49 GLU H 1 49 GLU HB3 3.500 . 5.000 3.735 3.595 3.855 . 0 0 "[ . 1 . ]" 1
261 1 49 GLU HA 1 50 ILE H 2.400 . 3.100 2.239 2.110 2.397 . 0 0 "[ . 1 . ]" 1
262 1 32 MET HG2 1 50 ILE H 3.700 . 5.400 3.973 3.544 4.604 . 0 0 "[ . 1 . ]" 1
263 1 32 MET ME 1 50 ILE H 3.600 . 6.000 4.363 3.572 4.934 . 0 0 "[ . 1 . ]" 1
264 1 50 ILE H 1 50 ILE HG13 3.600 . 5.200 4.518 4.249 4.624 . 0 0 "[ . 1 . ]" 1
265 1 50 ILE H 1 50 ILE HB 3.800 . 5.600 3.649 3.404 3.824 . 0 0 "[ . 1 . ]" 1
266 1 50 ILE H 1 50 ILE HG12 2.800 . 3.800 3.709 3.415 3.871 0.071 19 0 "[ . 1 . ]" 1
267 1 50 ILE H 1 50 ILE MG 3.000 . 4.100 2.117 1.848 2.399 0.052 2 0 "[ . 1 . ]" 1
268 1 50 ILE H 1 50 ILE MD 3.800 . 5.600 4.444 4.133 4.657 . 0 0 "[ . 1 . ]" 1
269 1 44 ALA H 1 51 TYR H 3.100 . 4.300 3.149 2.918 3.299 . 0 0 "[ . 1 . ]" 1
270 1 51 TYR H 1 51 TYR QD 3.400 . 4.900 3.281 3.061 3.549 . 0 0 "[ . 1 . ]" 1
271 1 45 ALA HA 1 51 TYR H 4.100 . 6.000 3.439 3.163 3.587 . 0 0 "[ . 1 . ]" 1
272 1 50 ILE HA 1 51 TYR H 2.300 . 3.000 2.165 2.145 2.213 . 0 0 "[ . 1 . ]" 1
273 1 51 TYR H 1 51 TYR HB3 3.700 . 5.500 3.930 3.891 3.962 . 0 0 "[ . 1 . ]" 1
274 1 51 TYR H 1 51 TYR HB2 2.800 . 3.800 2.917 2.854 2.992 . 0 0 "[ . 1 . ]" 1
275 1 50 ILE HB 1 51 TYR H 3.800 . 5.600 3.760 3.530 3.889 . 0 0 "[ . 1 . ]" 1
276 1 43 VAL MG2 1 51 TYR H 3.200 . 4.500 3.015 2.886 3.116 . 0 0 "[ . 1 . ]" 1
277 1 50 ILE MG 1 51 TYR H 2.700 . 6.000 4.393 4.366 4.414 . 0 0 "[ . 1 . ]" 1
278 1 51 TYR QD 1 52 CYS H 4.500 . 6.000 3.837 3.636 4.049 . 0 0 "[ . 1 . ]" 1
279 1 51 TYR HA 1 52 CYS H 2.500 . 3.300 2.466 2.429 2.501 . 0 0 "[ . 1 . ]" 1
280 1 52 CYS H 1 52 CYS HA 3.000 . 4.100 2.863 2.798 2.882 . 0 0 "[ . 1 . ]" 1
281 1 31 CYS HA 1 52 CYS H 2.900 . 6.000 3.362 3.095 3.918 . 0 0 "[ . 1 . ]" 1
282 1 31 CYS QB 1 52 CYS H . . 3.300 2.717 2.497 3.269 . 0 0 "[ . 1 . ]" 1
283 1 52 CYS H 1 55 CYS HB3 4.200 . 6.000 4.883 3.682 5.136 . 0 0 "[ . 1 . ]" 1
284 1 38 LEU MD1 1 52 CYS H 4.100 . 6.000 4.007 3.449 4.233 . 0 0 "[ . 1 . ]" 1
285 1 38 LEU HG 1 52 CYS H 3.800 . 5.600 4.479 4.263 4.592 . 0 0 "[ . 1 . ]" 1
286 1 52 CYS H 1 53 LYS H 4.500 . 6.000 4.589 4.517 4.654 . 0 0 "[ . 1 . ]" 1
287 1 53 LYS H 1 54 VAL H 2.700 . 3.600 2.573 2.337 2.800 . 0 0 "[ . 1 . ]" 1
288 1 52 CYS HA 1 53 LYS H 2.200 . 2.800 2.453 2.330 2.675 . 0 0 "[ . 1 . ]" 1
289 1 53 LYS H 1 53 LYS HA 2.800 . 3.800 2.843 2.789 2.899 . 0 0 "[ . 1 . ]" 1
290 1 52 CYS QB 1 53 LYS H 3.500 . 4.000 2.504 2.188 2.793 . 0 0 "[ . 1 . ]" 1
291 1 53 LYS H 1 53 LYS HB3 3.200 . 4.500 3.599 3.575 3.646 . 0 0 "[ . 1 . ]" 1
292 1 53 LYS H 1 53 LYS HG3 2.600 . 3.500 2.363 2.129 2.597 . 0 0 "[ . 1 . ]" 1
293 1 38 LEU MD1 1 53 LYS H 4.600 . 6.000 3.169 2.836 3.517 . 0 0 "[ . 1 . ]" 1
294 1 52 CYS H 1 56 TYR H 3.900 . 5.800 4.399 4.139 4.580 . 0 0 "[ . 1 . ]" 1
295 1 56 TYR H 1 57 GLY H 2.700 . 3.600 2.685 2.495 2.899 . 0 0 "[ . 1 . ]" 1
296 1 56 TYR H 1 56 TYR QD 4.500 . 6.000 4.147 3.983 4.206 . 0 0 "[ . 1 . ]" 1
297 1 51 TYR HB3 1 56 TYR H 2.900 . 4.000 3.688 3.198 3.880 . 0 0 "[ . 1 . ]" 1
298 1 56 TYR H 1 56 TYR HA 2.900 . 4.000 2.812 2.794 2.840 . 0 0 "[ . 1 . ]" 1
299 1 56 TYR H 1 56 TYR HB3 2.600 . 3.400 2.689 2.539 2.861 . 0 0 "[ . 1 . ]" 1
300 1 44 ALA MB 1 56 TYR H 4.300 . 6.000 4.261 3.798 4.519 . 0 0 "[ . 1 . ]" 1
301 1 57 GLY H 1 58 ARG H 2.800 . 3.700 2.570 2.469 2.744 . 0 0 "[ . 1 . ]" 1
302 1 56 TYR QD 1 57 GLY H 3.600 . 5.300 3.692 3.301 4.140 . 0 0 "[ . 1 . ]" 1
303 1 57 GLY H 1 58 ARG HA 3.100 . 6.000 5.168 5.054 5.343 . 0 0 "[ . 1 . ]" 1
304 1 56 TYR HA 1 57 GLY H 3.500 . 5.000 3.542 3.475 3.587 . 0 0 "[ . 1 . ]" 1
305 1 56 TYR HB3 1 57 GLY H 2.700 . 3.600 2.509 2.222 2.870 . 0 0 "[ . 1 . ]" 1
306 1 57 GLY H 1 58 ARG HB3 4.800 . 6.000 5.308 4.473 6.363 0.363 14 0 "[ . 1 . ]" 1
307 1 56 TYR H 1 58 ARG H 4.100 . 6.000 3.850 3.604 4.123 . 0 0 "[ . 1 . ]" 1
308 1 58 ARG H 1 58 ARG HA 2.700 . 3.600 2.870 2.781 2.910 . 0 0 "[ . 1 . ]" 1
309 1 58 ARG H 1 58 ARG QD 4.600 . 6.000 4.213 3.568 4.733 . 0 0 "[ . 1 . ]" 1
310 1 58 ARG H 1 58 ARG HB3 2.600 . 3.400 2.902 2.206 3.644 0.244 19 0 "[ . 1 . ]" 1
311 1 54 VAL QG 1 58 ARG H 3.000 . 6.000 4.380 4.080 4.830 . 0 0 "[ . 1 . ]" 1
312 1 59 ARG H 1 60 TYR H 2.600 . 3.400 2.582 2.379 2.812 . 0 0 "[ . 1 . ]" 1
313 1 59 ARG H 1 60 TYR QD 4.600 . 6.000 4.208 3.578 5.004 . 0 0 "[ . 1 . ]" 1
314 1 59 ARG H 1 59 ARG HA 2.900 . 3.900 2.850 2.789 2.890 . 0 0 "[ . 1 . ]" 1
315 1 56 TYR HA 1 59 ARG H 3.700 . 5.400 3.644 3.354 3.853 . 0 0 "[ . 1 . ]" 1
316 1 55 CYS HB2 1 59 ARG H 3.100 . 6.000 5.578 5.336 5.929 . 0 0 "[ . 1 . ]" 1
317 1 59 ARG H 1 59 ARG HD2 5.100 . 6.000 4.896 4.120 5.483 . 0 0 "[ . 1 . ]" 1
318 1 58 ARG HG2 1 59 ARG H 4.000 . 6.000 4.004 2.542 5.059 . 0 0 "[ . 1 . ]" 1
319 1 58 ARG HG3 1 59 ARG H 3.500 . 5.000 4.338 2.270 4.863 . 0 0 "[ . 1 . ]" 1
320 1 59 ARG H 1 59 ARG HB3 3.000 . 4.100 2.833 2.356 3.625 . 0 0 "[ . 1 . ]" 1
321 1 59 ARG H 1 59 ARG HB2 2.600 . 3.400 2.599 2.331 3.650 0.250 7 0 "[ . 1 . ]" 1
322 1 60 TYR H 1 60 TYR QD 3.000 . 6.000 2.723 2.410 3.213 . 0 0 "[ . 1 . ]" 1
323 1 59 ARG HA 1 60 TYR H 3.100 . 4.300 3.527 3.376 3.569 . 0 0 "[ . 1 . ]" 1
324 1 60 TYR H 1 60 TYR HB3 3.700 . 5.400 3.665 3.617 3.728 . 0 0 "[ . 1 . ]" 1
325 1 60 TYR H 1 60 TYR HB2 2.700 . 3.600 2.466 2.373 2.565 . 0 0 "[ . 1 . ]" 1
326 1 59 ARG HB3 1 60 TYR H 3.300 . 4.600 3.028 2.512 4.154 . 0 0 "[ . 1 . ]" 1
327 1 59 ARG HB2 1 60 TYR H 3.100 . 4.300 3.524 2.335 4.327 0.027 7 0 "[ . 1 . ]" 1
328 1 9 LYS H 1 9 LYS HG2 2.900 . 3.900 2.995 2.021 3.760 . 0 0 "[ . 1 . ]" 1
329 1 4 CYS H 1 10 THR HA 2.500 . 3.300 3.331 2.990 3.444 0.144 5 0 "[ . 1 . ]" 1
330 1 4 CYS H 1 10 THR HB 4.900 . 6.000 5.853 5.544 6.070 0.070 3 0 "[ . 1 . ]" 1
331 1 4 CYS H 1 11 VAL H 3.900 . 5.800 3.611 3.153 3.942 . 0 0 "[ . 1 . ]" 1
332 1 4 CYS H 1 25 HIS H 4.600 . 6.000 5.982 5.642 6.254 0.254 4 0 "[ . 1 . ]" 1
333 1 3 LYS HG2 1 4 CYS H 4.600 . 6.000 4.949 4.021 5.270 . 0 0 "[ . 1 . ]" 1
334 1 5 GLY H 1 24 PHE QD 3.500 . 6.000 2.846 1.998 4.246 . 0 0 "[ . 1 . ]" 1
335 1 5 GLY H 1 24 PHE QE 4.400 . 6.000 3.799 3.158 4.950 . 0 0 "[ . 1 . ]" 1
336 1 3 LYS H 1 5 GLY H 3.900 . 5.800 5.924 5.846 6.026 0.226 3 0 "[ . 1 . ]" 1
337 1 4 CYS HB2 1 6 ALA H 4.400 . 6.000 4.096 3.918 4.258 . 0 0 "[ . 1 . ]" 1
338 1 5 GLY HA2 1 6 ALA H 3.600 . 5.200 3.362 2.962 3.473 . 0 0 "[ . 1 . ]" 1
339 1 4 CYS HB3 1 6 ALA H 3.700 . 5.500 3.191 2.767 3.511 . 0 0 "[ . 1 . ]" 1
340 1 4 CYS HA 1 6 ALA H 3.700 . 5.400 3.501 3.360 3.617 . 0 0 "[ . 1 . ]" 1
341 1 5 GLY HA3 1 6 ALA H 3.800 . 5.600 3.175 3.040 3.459 . 0 0 "[ . 1 . ]" 1
342 1 6 ALA H 1 24 PHE QE 3.700 . 6.000 4.019 3.485 4.591 . 0 0 "[ . 1 . ]" 1
343 1 11 VAL HB 1 12 TYR H 4.600 . 6.000 4.245 4.071 4.360 . 0 0 "[ . 1 . ]" 1
344 1 12 TYR H 1 25 HIS HD2 4.200 . 6.000 3.737 3.202 5.098 . 0 0 "[ . 1 . ]" 1
345 1 15 GLU H 1 16 GLU HB3 4.100 . 6.000 4.560 4.240 4.786 . 0 0 "[ . 1 . ]" 1
346 1 13 HIS HA 1 16 GLU H 3.600 . 5.200 3.457 2.749 4.560 . 0 0 "[ . 1 . ]" 1
347 1 11 VAL MG2 1 17 ILE H 4.800 . 6.000 4.619 4.382 4.994 . 0 0 "[ . 1 . ]" 1
348 1 18 GLN H 1 18 GLN HG3 2.800 . 3.800 2.988 2.510 3.820 0.020 8 0 "[ . 1 . ]" 1
349 1 19 CYS H 1 24 PHE QD 3.500 . 5.000 2.784 2.443 3.354 . 0 0 "[ . 1 . ]" 1
350 1 19 CYS H 1 24 PHE QE 3.700 . 5.400 3.170 2.502 3.870 . 0 0 "[ . 1 . ]" 1
351 1 18 GLN HA 1 18 GLN HE21 4.800 . 6.000 4.573 2.545 5.114 . 0 0 "[ . 1 . ]" 1
352 1 16 GLU HA 1 24 PHE H 4.600 . 6.000 4.183 3.811 4.688 . 0 0 "[ . 1 . ]" 1
353 1 23 SER H 1 24 PHE H 4.200 . 6.000 4.428 4.252 4.508 . 0 0 "[ . 1 . ]" 1
354 1 20 ASN H 1 20 ASN HD21 4.800 . 6.000 5.545 4.752 5.756 . 0 0 "[ . 1 . ]" 1
355 1 24 PHE HB3 1 25 HIS H 2.700 . 3.600 2.628 2.386 2.985 . 0 0 "[ . 1 . ]" 1
356 1 24 PHE QD 1 25 HIS H 4.500 . 6.000 3.893 3.646 4.178 . 0 0 "[ . 1 . ]" 1
357 1 24 PHE H 1 25 HIS H 4.400 . 6.000 4.469 4.423 4.524 . 0 0 "[ . 1 . ]" 1
358 1 25 HIS HD2 1 26 LYS H 4.000 . 6.000 3.831 3.228 4.215 . 0 0 "[ . 1 . ]" 1
359 1 17 ILE H 1 26 LYS H 3.800 . 5.600 4.451 3.926 4.850 . 0 0 "[ . 1 . ]" 1
360 1 25 HIS H 1 26 LYS H 4.900 . 6.000 4.614 4.570 4.650 . 0 0 "[ . 1 . ]" 1
361 1 27 THR H 1 27 THR MG 4.000 . 6.000 3.141 2.047 3.765 . 0 0 "[ . 1 . ]" 1
362 1 27 THR HA 1 28 CYS H 3.500 . 5.100 3.385 3.303 3.555 . 0 0 "[ . 1 . ]" 1
363 1 26 LYS H 1 28 CYS H 5.000 . 6.000 3.874 3.633 4.339 . 0 0 "[ . 1 . ]" 1
364 1 26 LYS HB2 1 29 PHE H 3.400 . 6.000 5.981 5.597 6.479 0.479 3 0 "[ . 1 . ]" 1
365 1 28 CYS HB2 1 29 PHE H 3.600 . 5.200 3.831 3.570 4.068 . 0 0 "[ . 1 . ]" 1
366 1 26 LYS HA 1 29 PHE H 3.500 . 5.000 3.723 3.346 4.219 . 0 0 "[ . 1 . ]" 1
367 1 27 THR HA 1 29 PHE H 3.600 . 5.200 3.857 3.517 4.217 . 0 0 "[ . 1 . ]" 1
368 1 30 HIS HD2 1 31 CYS H 4.300 . 6.000 3.767 3.215 5.416 . 0 0 "[ . 1 . ]" 1
369 1 31 CYS H 1 36 LYS H 3.400 . 4.800 3.788 3.398 4.002 . 0 0 "[ . 1 . ]" 1
370 1 31 CYS H 1 32 MET H 3.900 . 5.800 4.494 4.388 4.540 . 0 0 "[ . 1 . ]" 1
371 1 32 MET H 1 35 ARG HA 4.000 . 6.000 5.403 4.914 6.133 0.133 10 0 "[ . 1 . ]" 1
372 1 32 MET HG2 1 33 ALA H 4.700 . 6.000 4.405 3.221 5.592 . 0 0 "[ . 1 . ]" 1
373 1 31 CYS QB 1 33 ALA H 3.700 . 5.400 3.429 3.134 3.647 . 0 0 "[ . 1 . ]" 1
374 1 33 ALA H 1 51 TYR HA 4.400 . 6.000 3.874 3.558 4.351 . 0 0 "[ . 1 . ]" 1
375 1 33 ALA H 1 51 TYR HB3 3.800 . 5.600 3.998 3.598 4.749 . 0 0 "[ . 1 . ]" 1
376 1 35 ARG H 1 35 ARG HB3 3.500 . 5.000 3.711 3.353 4.129 . 0 0 "[ . 1 . ]" 1
377 1 36 LYS H 1 36 LYS QG 3.600 . 5.200 3.968 3.463 4.027 . 0 0 "[ . 1 . ]" 1
378 1 31 CYS QB 1 36 LYS H 3.900 . 4.000 2.096 1.775 2.319 0.225 9 0 "[ . 1 . ]" 1
379 1 36 LYS H 1 37 ALA H 3.800 . 5.600 4.598 4.536 4.648 . 0 0 "[ . 1 . ]" 1
380 1 29 PHE QD 1 38 LEU H 4.300 . 6.000 4.497 3.834 5.011 . 0 0 "[ . 1 . ]" 1
381 1 29 PHE QD 1 39 ASP H 4.700 . 6.000 5.542 5.042 6.053 0.053 19 0 "[ . 1 . ]" 1
382 1 41 THR H 1 41 THR HB 3.600 . 5.200 3.095 2.678 3.681 . 0 0 "[ . 1 . ]" 1
383 1 38 LEU HG 1 43 VAL H 4.800 . 6.000 4.463 4.198 4.916 . 0 0 "[ . 1 . ]" 1
384 1 42 THR HA 1 43 VAL H 2.900 . 4.000 3.424 3.303 3.491 . 0 0 "[ . 1 . ]" 1
385 1 38 LEU MD2 1 44 ALA H 5.200 . 6.000 4.508 4.312 4.992 . 0 0 "[ . 1 . ]" 1
386 1 44 ALA H 1 51 TYR HB2 4.200 . 6.000 4.645 4.440 4.779 . 0 0 "[ . 1 . ]" 1
387 1 44 ALA H 1 45 ALA H 4.600 . 6.000 4.210 4.160 4.256 . 0 0 "[ . 1 . ]" 1
388 1 45 ALA H 1 56 TYR QE 4.300 . 6.000 5.178 4.497 5.664 . 0 0 "[ . 1 . ]" 1
389 1 48 SER HB3 1 49 GLU H 4.100 . 6.000 4.194 2.846 4.607 . 0 0 "[ . 1 . ]" 1
390 1 20 ASN HD22 1 49 GLU H 4.300 . 6.000 5.767 3.215 6.117 0.117 11 0 "[ . 1 . ]" 1
391 1 49 GLU H 1 50 ILE H 4.600 . 6.000 4.403 4.020 4.570 . 0 0 "[ . 1 . ]" 1
392 1 12 TYR HA 1 13 HIS H 2.700 . 3.600 2.573 2.394 2.817 . 0 0 "[ . 1 . ]" 1
393 1 12 TYR QD 1 13 HIS H 4.500 . 6.000 3.894 3.376 4.201 . 0 0 "[ . 1 . ]" 1
394 1 12 TYR HB2 1 13 HIS H 4.300 . 6.000 3.261 2.832 3.611 . 0 0 "[ . 1 . ]" 1
395 1 47 GLU H 1 47 GLU HG3 3.800 . 5.600 3.920 2.732 4.837 . 0 0 "[ . 1 . ]" 1
396 1 47 GLU H 1 47 GLU HB2 3.800 . 5.600 3.540 3.031 3.706 . 0 0 "[ . 1 . ]" 1
397 1 47 GLU H 1 48 SER HA 2.900 . 6.000 5.390 5.128 5.771 . 0 0 "[ . 1 . ]" 1
398 1 46 HIS H 1 47 GLU H 4.300 . 6.000 3.959 3.509 4.365 . 0 0 "[ . 1 . ]" 1
399 1 9 LYS HG2 1 10 THR H 4.400 . 6.000 4.493 4.096 5.068 . 0 0 "[ . 1 . ]" 1
400 1 32 MET HG3 1 50 ILE H 3.500 . 5.100 3.662 3.109 4.754 . 0 0 "[ . 1 . ]" 1
401 1 50 ILE H 1 51 TYR QE 4.300 . 6.000 4.150 3.629 4.897 . 0 0 "[ . 1 . ]" 1
402 1 50 ILE H 1 51 TYR QD 3.700 . 5.400 4.338 3.849 4.888 . 0 0 "[ . 1 . ]" 1
403 1 43 VAL MG2 1 52 CYS H 3.300 . 6.000 5.343 5.086 5.614 . 0 0 "[ . 1 . ]" 1
404 1 32 MET H 1 52 CYS H 3.900 . 5.800 4.430 4.051 4.853 . 0 0 "[ . 1 . ]" 1
405 1 53 LYS H 1 53 LYS HG2 4.500 . 6.000 3.500 3.182 3.689 . 0 0 "[ . 1 . ]" 1
406 1 42 THR HA 1 53 LYS H 4.400 . 6.000 5.894 5.521 6.068 0.068 18 0 "[ . 1 . ]" 1
407 1 44 ALA H 1 53 LYS H 3.900 . 5.800 4.671 4.233 5.068 . 0 0 "[ . 1 . ]" 1
408 1 52 CYS HA 1 54 VAL H 3.800 . 5.600 4.063 3.857 4.282 . 0 0 "[ . 1 . ]" 1
409 1 22 ARG H 1 23 SER H 4.600 . 6.000 4.380 4.210 4.587 . 0 0 "[ . 1 . ]" 1
410 1 17 ILE H 1 17 ILE HG12 4.500 . 6.000 4.410 4.155 4.723 . 0 0 "[ . 1 . ]" 1
411 1 51 TYR HA 1 56 TYR H 3.200 . 6.000 5.784 5.382 5.959 . 0 0 "[ . 1 . ]" 1
412 1 51 TYR QD 1 56 TYR H 4.500 . 6.000 4.871 4.501 5.121 . 0 0 "[ . 1 . ]" 1
413 1 44 ALA MB 1 57 GLY H 3.200 . 6.000 5.134 4.720 5.441 . 0 0 "[ . 1 . ]" 1
414 1 57 GLY H 1 57 GLY HA3 2.400 . 3.100 2.301 2.284 2.322 . 0 0 "[ . 1 . ]" 1
415 1 56 TYR HA 1 58 ARG H 4.400 . 6.000 4.088 3.824 4.506 . 0 0 "[ . 1 . ]" 1
416 1 57 GLY HA3 1 58 ARG H 2.800 . 3.800 3.041 2.822 3.168 . 0 0 "[ . 1 . ]" 1
417 1 58 ARG H 1 59 ARG H 2.500 . 3.300 2.520 2.313 2.793 . 0 0 "[ . 1 . ]" 1
418 1 58 ARG HA 1 59 ARG H 3.400 . 4.900 3.544 3.479 3.585 . 0 0 "[ . 1 . ]" 1
419 1 56 TYR HA 1 60 TYR H 3.600 . 5.300 3.942 3.532 4.451 . 0 0 "[ . 1 . ]" 1
420 1 13 HIS H 1 13 HIS HA 3.000 . 4.100 2.814 2.757 2.874 . 0 0 "[ . 1 . ]" 1
421 1 9 LYS H 1 25 HIS HE1 4.500 . 6.000 4.091 3.476 4.522 . 0 0 "[ . 1 . ]" 1
422 1 4 CYS HB2 1 7 CYS H 4.100 . 6.000 3.424 3.235 3.699 . 0 0 "[ . 1 . ]" 1
423 1 12 TYR H 1 15 GLU HB3 4.200 . 6.000 5.445 3.246 6.040 0.040 18 0 "[ . 1 . ]" 1
424 1 12 TYR H 1 15 GLU HB2 4.700 . 6.000 5.789 4.674 6.172 0.172 15 0 "[ . 1 . ]" 1
425 1 47 GLU HB3 1 49 GLU H 4.700 . 6.000 4.537 3.120 5.100 . 0 0 "[ . 1 . ]" 1
426 1 47 GLU HG3 1 49 GLU H 2.900 . 6.000 5.541 4.954 6.001 0.001 15 0 "[ . 1 . ]" 1
427 1 15 GLU HB2 1 16 GLU H 5.500 . 6.000 4.460 4.381 4.600 . 0 0 "[ . 1 . ]" 1
428 1 17 ILE H 1 25 HIS HA 3.800 . 5.600 3.846 3.568 4.144 . 0 0 "[ . 1 . ]" 1
429 1 19 CYS H 1 23 SER HA 3.800 . 5.600 3.765 3.321 4.108 . 0 0 "[ . 1 . ]" 1
430 1 20 ASN HD21 1 48 SER HA 3.800 . 5.600 3.317 1.943 4.708 0.057 5 0 "[ . 1 . ]" 1
431 1 22 ARG H 1 22 ARG HB2 2.700 . 3.600 2.718 2.220 3.230 . 0 0 "[ . 1 . ]" 1
432 1 11 VAL MG2 1 24 PHE H 4.600 . 6.000 4.169 3.788 4.573 . 0 0 "[ . 1 . ]" 1
433 1 25 HIS H 1 28 CYS HB3 4.300 . 6.000 3.795 3.265 4.605 . 0 0 "[ . 1 . ]" 1
434 1 26 LYS HG3 1 29 PHE H 5.100 . 6.000 5.843 5.139 6.752 0.752 8 2 "[ . + 1 - . ]" 1
435 1 32 MET H 1 38 LEU HG 4.100 . 6.000 5.939 5.001 6.079 0.079 13 0 "[ . 1 . ]" 1
436 1 32 MET HB2 1 33 ALA H 3.700 . 5.400 3.259 2.905 4.322 . 0 0 "[ . 1 . ]" 1
437 1 34 CYS H 1 51 TYR HA 5.000 . 6.000 5.451 5.108 5.764 . 0 0 "[ . 1 . ]" 1
438 1 32 MET H 1 34 CYS H 4.200 . 6.000 4.714 4.472 5.049 . 0 0 "[ . 1 . ]" 1
439 1 30 HIS HB3 1 38 LEU H 3.600 . 5.200 2.478 1.952 3.877 0.048 18 0 "[ . 1 . ]" 1
440 1 44 ALA H 1 52 CYS H 4.600 . 6.000 4.944 4.842 5.017 . 0 0 "[ . 1 . ]" 1
441 1 45 ALA H 1 50 ILE MG 4.800 . 6.000 6.039 5.521 6.128 0.128 3 0 "[ . 1 . ]" 1
442 1 43 VAL HA 1 53 LYS H 4.800 . 6.000 4.863 4.392 5.201 . 0 0 "[ . 1 . ]" 1
443 1 53 LYS HB3 1 56 TYR H 4.700 . 6.000 5.481 5.230 5.849 . 0 0 "[ . 1 . ]" 1
444 1 17 ILE MG 1 29 PHE H 5.400 . 6.000 5.470 3.995 6.084 0.084 8 0 "[ . 1 . ]" 1
445 1 24 PHE QE 1 50 ILE MD 2.400 . 6.000 3.943 3.327 4.351 . 0 0 "[ . 1 . ]" 1
446 1 29 PHE QD 1 50 ILE MD 2.400 . 6.000 3.013 2.772 3.327 . 0 0 "[ . 1 . ]" 1
447 1 29 PHE QE 1 50 ILE MD 2.800 . 6.000 2.808 2.665 2.976 . 0 0 "[ . 1 . ]" 1
448 1 29 PHE HA 1 29 PHE QD 2.500 . 6.000 2.454 2.239 2.751 . 0 0 "[ . 1 . ]" 1
449 1 28 CYS HA 1 30 HIS HE1 3.900 . 6.000 4.189 2.518 6.026 0.026 16 0 "[ . 1 . ]" 1
450 1 29 PHE QE 1 50 ILE MG 3.200 . 6.000 4.370 3.950 4.632 . 0 0 "[ . 1 . ]" 1
451 1 29 PHE HZ 1 50 ILE MD 3.700 . 5.400 3.682 3.409 3.872 . 0 0 "[ . 1 . ]" 1
452 1 29 PHE HZ 1 50 ILE MG 4.400 . 6.000 5.889 5.453 6.042 0.042 7 0 "[ . 1 . ]" 1
453 1 24 PHE QD 1 50 ILE MG 3.600 . 5.200 3.726 3.214 4.425 . 0 0 "[ . 1 . ]" 1
454 1 19 CYS HB2 1 50 ILE MG 3.600 . 5.300 3.878 2.519 4.672 . 0 0 "[ . 1 . ]" 1
455 1 50 ILE HG13 1 50 ILE MG 3.700 . 5.400 3.200 3.194 3.205 . 0 0 "[ . 1 . ]" 1
456 1 45 ALA MB 1 50 ILE MG 2.200 . 6.000 3.512 2.753 3.854 . 0 0 "[ . 1 . ]" 1
457 1 50 ILE HB 1 50 ILE MG 2.300 . 3.000 2.119 2.114 2.127 . 0 0 "[ . 1 . ]" 1
458 1 43 VAL MG2 1 50 ILE MG 3.400 . 6.000 3.583 3.143 3.783 . 0 0 "[ . 1 . ]" 1
459 1 50 ILE HA 1 50 ILE MG 2.500 . 3.300 3.041 2.926 3.084 . 0 0 "[ . 1 . ]" 1
460 1 19 CYS HB3 1 50 ILE MG 3.500 . 5.100 3.286 2.463 4.854 . 0 0 "[ . 1 . ]" 1
461 1 24 PHE HB3 1 29 PHE QD 3.800 . 6.000 4.182 3.208 5.050 . 0 0 "[ . 1 . ]" 1
462 1 24 PHE HB3 1 24 PHE QD 2.700 . 3.600 2.466 2.364 2.533 . 0 0 "[ . 1 . ]" 1
463 1 24 PHE HB2 1 29 PHE QD 2.800 . 6.000 3.153 2.350 3.806 . 0 0 "[ . 1 . ]" 1
464 1 24 PHE HB2 1 24 PHE QE 4.400 . 6.000 4.383 4.364 4.409 . 0 0 "[ . 1 . ]" 1
465 1 24 PHE HB2 1 24 PHE QD 2.600 . 3.500 2.320 2.272 2.404 . 0 0 "[ . 1 . ]" 1
466 1 38 LEU MD1 1 52 CYS QB 2.800 . 3.800 2.714 2.507 3.054 . 0 0 "[ . 1 . ]" 1
467 1 44 ALA HA 1 44 ALA MB 2.100 . 2.700 2.133 2.129 2.139 . 0 0 "[ . 1 . ]" 1
468 1 2 ALA HA 1 2 ALA MB 2.300 . 2.900 2.135 2.131 2.137 . 0 0 "[ . 1 . ]" 1
469 1 2 ALA MB 1 23 SER QB 2.400 . 6.000 2.611 2.225 3.352 . 0 0 "[ . 1 . ]" 1
470 1 3 LYS HA 1 3 LYS QB 2.300 . 3.000 2.193 2.176 2.414 . 0 0 "[ . 1 . ]" 1
471 1 3 LYS HA 1 3 LYS HG2 3.000 . 4.200 3.860 2.560 4.254 0.054 17 0 "[ . 1 . ]" 1
472 1 3 LYS HA 1 3 LYS HG3 2.900 . 4.000 3.659 2.989 3.753 . 0 0 "[ . 1 . ]" 1
473 1 3 LYS QB 1 3 LYS HG2 2.500 . 3.300 2.263 2.137 2.347 . 0 0 "[ . 1 . ]" 1
474 1 3 LYS QE 1 3 LYS HG2 3.200 . 4.500 3.111 2.434 3.511 . 0 0 "[ . 1 . ]" 1
475 1 3 LYS QE 1 3 LYS HG3 2.800 . 3.800 2.886 2.340 3.512 . 0 0 "[ . 1 . ]" 1
476 1 4 CYS HA 1 11 VAL MG2 2.700 . 3.600 2.113 1.877 2.539 . 0 0 "[ . 1 . ]" 1
477 1 4 CYS HA 1 11 VAL MG1 3.900 . 5.800 4.115 3.858 4.422 . 0 0 "[ . 1 . ]" 1
478 1 4 CYS HA 1 4 CYS HB2 2.300 . 2.900 2.504 2.479 2.560 . 0 0 "[ . 1 . ]" 1
479 1 4 CYS HA 1 24 PHE HA 2.700 . 3.600 2.870 2.521 3.333 . 0 0 "[ . 1 . ]" 1
480 1 4 CYS HB3 1 11 VAL MG2 3.800 . 5.600 3.436 3.360 3.502 . 0 0 "[ . 1 . ]" 1
481 1 4 CYS HB3 1 11 VAL MG1 5.300 . 6.000 6.015 5.921 6.062 0.062 3 0 "[ . 1 . ]" 1
482 1 4 CYS HB3 1 25 HIS HE1 3.700 . 5.400 3.874 3.452 4.385 . 0 0 "[ . 1 . ]" 1
483 1 4 CYS HB2 1 11 VAL MG2 2.500 . 3.300 2.066 1.905 2.164 . 0 0 "[ . 1 . ]" 1
484 1 4 CYS HB2 1 11 VAL MG1 3.800 . 5.600 4.708 4.632 4.798 . 0 0 "[ . 1 . ]" 1
485 1 4 CYS HB3 1 24 PHE HA 4.600 . 6.000 5.039 4.678 5.588 . 0 0 "[ . 1 . ]" 1
486 1 4 CYS HB2 1 24 PHE HA 4.500 . 6.000 4.381 4.035 4.774 . 0 0 "[ . 1 . ]" 1
487 1 4 CYS HB2 1 25 HIS HE1 3.100 . 4.300 2.940 2.467 3.208 . 0 0 "[ . 1 . ]" 1
488 1 5 GLY HA2 1 24 PHE QE 4.700 . 6.000 3.786 3.382 5.141 . 0 0 "[ . 1 . ]" 1
489 1 5 GLY HA3 1 24 PHE QE 3.200 . 6.000 2.273 1.697 4.131 . 0 0 "[ . 1 . ]" 1
490 1 30 HIS HA 1 32 MET ME 3.100 . 6.000 5.407 5.008 6.039 0.039 10 0 "[ . 1 . ]" 1
491 1 6 ALA MB 1 32 MET ME 2.500 . 6.000 2.053 1.710 2.614 . 0 0 "[ . 1 . ]" 1
492 1 6 ALA MB 1 28 CYS HB2 3.100 . 4.300 3.117 2.620 3.619 . 0 0 "[ . 1 . ]" 1
493 1 6 ALA MB 1 28 CYS HB3 2.900 . 4.000 2.205 1.749 4.006 0.051 18 0 "[ . 1 . ]" 1
494 1 6 ALA MB 1 24 PHE QD 2.700 . 6.000 2.921 1.859 3.862 . 0 0 "[ . 1 . ]" 1
495 1 6 ALA MB 1 24 PHE QE 2.700 . 6.000 3.850 2.076 4.781 . 0 0 "[ . 1 . ]" 1
496 1 6 ALA HA 1 24 PHE QD 4.200 . 6.000 4.419 3.626 5.284 . 0 0 "[ . 1 . ]" 1
497 1 6 ALA HA 1 24 PHE QE 4.000 . 6.000 4.410 3.498 5.437 . 0 0 "[ . 1 . ]" 1
498 1 7 CYS HA 1 7 CYS HB3 2.900 . 4.000 2.459 2.372 2.561 . 0 0 "[ . 1 . ]" 1
499 1 7 CYS HA 1 7 CYS HB2 2.900 . 3.900 2.958 2.358 3.035 . 0 0 "[ . 1 . ]" 1
500 1 8 GLU HA 1 8 GLU HG2 2.600 . 3.400 3.127 2.242 4.140 0.740 1 2 "[+ . 1 . -]" 1
501 1 8 GLU HA 1 8 GLU HB3 2.500 . 3.300 2.498 2.244 2.672 . 0 0 "[ . 1 . ]" 1
502 1 8 GLU HB3 1 8 GLU HG2 2.200 . 2.800 2.600 2.325 2.989 0.189 15 0 "[ . 1 . ]" 1
503 1 3 LYS QE 1 8 GLU HG2 2.800 . 6.000 4.825 2.943 6.279 0.279 1 0 "[ . 1 . ]" 1
504 1 3 LYS QE 1 8 GLU HB3 3.400 . 4.800 4.363 3.214 5.394 0.594 16 1 "[ . 1 .+ ]" 1
505 1 9 LYS HB3 1 25 HIS HE1 2.600 . 3.400 3.157 2.663 3.828 0.428 15 0 "[ . 1 . ]" 1
506 1 9 LYS HG3 1 25 HIS HE1 5.100 . 6.000 4.026 3.538 4.919 . 0 0 "[ . 1 . ]" 1
507 1 9 LYS HG2 1 25 HIS HE1 5.400 . 6.000 4.555 3.691 5.322 . 0 0 "[ . 1 . ]" 1
508 1 9 LYS HB3 1 9 LYS HG2 2.300 . 3.000 2.641 2.349 3.012 0.012 8 0 "[ . 1 . ]" 1
509 1 9 LYS HB3 1 9 LYS HG3 2.700 . 3.600 2.794 2.401 3.014 . 0 0 "[ . 1 . ]" 1
510 1 9 LYS HD3 1 25 HIS HE1 4.400 . 6.000 4.721 3.479 5.960 . 0 0 "[ . 1 . ]" 1
511 1 9 LYS HE3 1 9 LYS HG3 3.400 . 4.800 3.161 2.436 3.712 . 0 0 "[ . 1 . ]" 1
512 1 9 LYS HE3 1 9 LYS HG2 2.800 . 3.800 3.089 2.464 4.241 0.441 10 0 "[ . 1 . ]" 1
513 1 10 THR HA 1 10 THR MG 2.300 . 3.000 2.208 2.156 2.349 . 0 0 "[ . 1 . ]" 1
514 1 10 THR HB 1 10 THR MG 2.100 . 2.600 2.135 2.131 2.138 . 0 0 "[ . 1 . ]" 1
515 1 3 LYS QB 1 10 THR HA 3.300 . 4.700 3.491 3.021 3.870 . 0 0 "[ . 1 . ]" 1
516 1 10 THR HA 1 10 THR HB 2.200 . 2.800 2.774 2.628 2.998 0.198 4 0 "[ . 1 . ]" 1
517 1 10 THR HB 1 12 TYR QD 4.200 . 6.000 3.937 2.931 4.511 . 0 0 "[ . 1 . ]" 1
518 1 11 VAL HA 1 11 VAL HB 2.600 . 3.500 3.014 2.989 3.025 . 0 0 "[ . 1 . ]" 1
519 1 11 VAL HA 1 11 VAL MG1 2.600 . 3.400 2.540 2.461 2.656 . 0 0 "[ . 1 . ]" 1
520 1 11 VAL HA 1 11 VAL MG2 2.400 . 3.100 2.269 2.177 2.351 . 0 0 "[ . 1 . ]" 1
521 1 11 VAL HB 1 11 VAL MG1 2.400 . 3.100 2.133 2.129 2.137 . 0 0 "[ . 1 . ]" 1
522 1 11 VAL HB 1 11 VAL MG2 2.400 . 3.100 2.120 2.115 2.128 . 0 0 "[ . 1 . ]" 1
523 1 10 THR MG 1 11 VAL HA 4.400 . 6.000 4.831 3.799 5.439 . 0 0 "[ . 1 . ]" 1
524 1 11 VAL HA 1 25 HIS HE1 3.600 . 5.200 4.511 4.057 5.176 . 0 0 "[ . 1 . ]" 1
525 1 11 VAL HA 1 25 HIS HD2 3.100 . 4.300 2.980 2.652 4.357 0.057 3 0 "[ . 1 . ]" 1
526 1 11 VAL HB 1 25 HIS HD2 4.800 . 6.000 4.943 4.678 6.035 0.035 3 0 "[ . 1 . ]" 1
527 1 11 VAL MG2 1 25 HIS HD2 3.100 . 4.300 2.334 2.021 3.174 . 0 0 "[ . 1 . ]" 1
528 1 11 VAL MG2 1 25 HIS HE1 3.200 . 4.500 3.437 3.110 3.549 . 0 0 "[ . 1 . ]" 1
529 1 11 VAL MG1 1 25 HIS HE1 4.100 . 6.000 5.596 5.254 5.991 . 0 0 "[ . 1 . ]" 1
530 1 11 VAL HB 1 25 HIS HE1 5.100 . 6.000 6.073 5.907 6.168 0.168 2 0 "[ . 1 . ]" 1
531 1 11 VAL MG1 1 24 PHE HA 3.500 . 6.000 4.036 3.528 4.670 . 0 0 "[ . 1 . ]" 1
532 1 11 VAL MG2 1 24 PHE HA 3.400 . 6.000 2.861 2.421 3.259 . 0 0 "[ . 1 . ]" 1
533 1 11 VAL MG2 1 25 HIS HA 2.800 . 3.800 3.043 2.714 3.362 . 0 0 "[ . 1 . ]" 1
534 1 11 VAL MG1 1 25 HIS HA 2.700 . 3.600 3.325 2.881 3.650 0.050 11 0 "[ . 1 . ]" 1
535 1 11 VAL MG2 1 16 GLU HA 3.400 . 4.800 3.928 3.568 4.183 . 0 0 "[ . 1 . ]" 1
536 1 11 VAL MG1 1 16 GLU HA 2.300 . 3.000 2.315 2.099 2.492 . 0 0 "[ . 1 . ]" 1
537 1 11 VAL HB 1 16 GLU HA 5.400 . 6.000 5.061 4.620 5.333 . 0 0 "[ . 1 . ]" 1
538 1 11 VAL MG1 1 23 SER QB 3.700 . 4.800 2.285 1.964 3.370 0.036 5 0 "[ . 1 . ]" 1
539 1 11 VAL MG2 1 23 SER QB 4.000 . 6.000 3.329 2.906 4.211 . 0 0 "[ . 1 . ]" 1
540 1 11 VAL MG2 1 15 GLU HB2 4.700 . 6.000 5.512 4.330 6.044 0.044 4 0 "[ . 1 . ]" 1
541 1 11 VAL MG1 1 16 GLU HG3 2.700 . 3.600 2.437 2.178 2.846 . 0 0 "[ . 1 . ]" 1
542 1 11 VAL MG1 1 16 GLU HG2 3.400 . 4.900 3.726 3.511 4.032 . 0 0 "[ . 1 . ]" 1
543 1 11 VAL MG2 1 16 GLU HG3 4.200 . 6.000 4.495 4.079 5.129 . 0 0 "[ . 1 . ]" 1
544 1 11 VAL MG2 1 16 GLU HG2 4.800 . 6.000 5.703 5.375 6.025 0.025 3 0 "[ . 1 . ]" 1
545 1 2 ALA MB 1 11 VAL MG1 3.400 . 6.000 3.110 2.266 3.667 . 0 0 "[ . 1 . ]" 1
546 1 2 ALA MB 1 11 VAL HB 2.600 . 3.400 2.672 2.198 3.026 . 0 0 "[ . 1 . ]" 1
547 1 11 VAL MG1 1 11 VAL MG2 2.100 . 6.000 2.064 2.057 2.072 . 0 0 "[ . 1 . ]" 1
548 1 12 TYR HA 1 12 TYR HB3 2.600 . 3.400 2.442 2.331 2.585 . 0 0 "[ . 1 . ]" 1
549 1 12 TYR HB2 1 12 TYR QD 2.800 . 3.800 2.364 2.277 2.563 . 0 0 "[ . 1 . ]" 1
550 1 14 ALA HA 1 14 ALA MB 2.100 . 2.600 2.130 2.124 2.134 . 0 0 "[ . 1 . ]" 1
551 1 12 TYR QE 1 14 ALA MB 2.500 . 6.000 5.422 4.528 6.037 0.037 10 0 "[ . 1 . ]" 1
552 1 12 TYR QD 1 14 ALA MB 2.700 . 6.000 3.674 2.689 4.433 . 0 0 "[ . 1 . ]" 1
553 1 15 GLU HA 1 15 GLU HB2 2.400 . 3.100 2.444 2.378 2.513 . 0 0 "[ . 1 . ]" 1
554 1 15 GLU HA 1 15 GLU HB3 2.500 . 3.300 2.502 2.382 3.032 . 0 0 "[ . 1 . ]" 1
555 1 15 GLU HA 1 15 GLU HG3 3.400 . 4.800 3.873 3.058 4.273 . 0 0 "[ . 1 . ]" 1
556 1 15 GLU HB2 1 25 HIS HD2 4.500 . 6.000 3.881 1.972 4.504 0.028 3 0 "[ . 1 . ]" 1
557 1 15 GLU HB3 1 25 HIS HD2 3.500 . 5.000 4.321 2.142 5.012 0.012 12 0 "[ . 1 . ]" 1
558 1 22 ARG HA 1 22 ARG HB3 2.800 . 3.800 2.671 2.452 3.028 . 0 0 "[ . 1 . ]" 1
559 1 16 GLU HA 1 16 GLU HG3 2.500 . 3.300 2.672 2.569 2.796 . 0 0 "[ . 1 . ]" 1
560 1 16 GLU HA 1 16 GLU HG2 2.600 . 3.400 3.050 2.905 3.175 . 0 0 "[ . 1 . ]" 1
561 1 16 GLU HG3 1 17 ILE HA 4.100 . 6.000 4.781 4.472 5.099 . 0 0 "[ . 1 . ]" 1
562 1 16 GLU HG2 1 17 ILE HA 2.600 . 3.500 3.392 3.034 3.575 0.075 13 0 "[ . 1 . ]" 1
563 1 16 GLU HG3 1 23 SER QB 3.100 . 4.300 2.316 1.876 3.485 0.024 9 0 "[ . 1 . ]" 1
564 1 16 GLU HG2 1 23 SER QB 3.500 . 5.000 3.658 3.272 4.587 . 0 0 "[ . 1 . ]" 1
565 1 16 GLU HB3 1 23 SER QB 4.700 . 6.000 5.087 4.667 6.081 0.081 4 0 "[ . 1 . ]" 1
566 1 17 ILE HA 1 17 ILE HB 2.500 . 3.300 2.962 2.566 3.033 . 0 0 "[ . 1 . ]" 1
567 1 17 ILE HA 1 17 ILE MG 2.600 . 3.400 2.604 2.409 3.213 . 0 0 "[ . 1 . ]" 1
568 1 17 ILE HB 1 17 ILE MG 2.200 . 2.800 2.126 2.108 2.132 . 0 0 "[ . 1 . ]" 1
569 1 17 ILE HA 1 17 ILE HG12 2.800 . 3.800 2.752 2.436 3.418 . 0 0 "[ . 1 . ]" 1
570 1 17 ILE HA 1 17 ILE MD 3.300 . 4.700 3.775 3.420 3.875 . 0 0 "[ . 1 . ]" 1
571 1 17 ILE HB 1 17 ILE MD 2.300 . 2.900 2.326 2.210 2.406 . 0 0 "[ . 1 . ]" 1
572 1 17 ILE HB 1 17 ILE HG12 2.500 . 3.300 2.980 2.734 3.022 . 0 0 "[ . 1 . ]" 1
573 1 17 ILE MD 1 17 ILE MG 2.500 . 6.000 2.161 1.921 3.022 . 0 0 "[ . 1 . ]" 1
574 1 17 ILE HG12 1 17 ILE MG 2.700 . 3.600 2.258 2.135 2.388 . 0 0 "[ . 1 . ]" 1
575 1 17 ILE HB 1 24 PHE HB2 3.000 . 4.100 3.362 2.820 4.289 0.189 10 0 "[ . 1 . ]" 1
576 1 17 ILE MG 1 24 PHE HB2 3.100 . 4.300 3.433 1.799 4.326 0.101 19 0 "[ . 1 . ]" 1
577 1 17 ILE MG 1 29 PHE HB2 3.300 . 4.700 3.248 1.998 3.886 . 0 0 "[ . 1 . ]" 1
578 1 17 ILE MG 1 19 CYS HB3 4.200 . 6.000 4.061 3.302 4.518 . 0 0 "[ . 1 . ]" 1
579 1 17 ILE MG 1 24 PHE HB3 4.400 . 6.000 4.831 2.998 5.745 . 0 0 "[ . 1 . ]" 1
580 1 17 ILE MG 1 29 PHE HB3 4.100 . 6.000 4.253 3.396 4.890 . 0 0 "[ . 1 . ]" 1
581 1 17 ILE MG 1 26 LYS HA 3.900 . 5.800 4.376 2.565 4.977 . 0 0 "[ . 1 . ]" 1
582 1 17 ILE HB 1 24 PHE HB3 4.500 . 6.000 4.781 4.205 5.599 . 0 0 "[ . 1 . ]" 1
583 1 17 ILE HB 1 26 LYS HA 3.800 . 5.600 3.619 2.471 4.135 . 0 0 "[ . 1 . ]" 1
584 1 17 ILE HG13 1 26 LYS HA 3.300 . 4.700 3.690 2.807 4.729 0.029 10 0 "[ . 1 . ]" 1
585 1 17 ILE MG 1 29 PHE QE 2.800 . 6.000 2.707 2.364 3.470 . 0 0 "[ . 1 . ]" 1
586 1 17 ILE MG 1 29 PHE QD 2.700 . 6.000 2.495 1.808 3.025 . 0 0 "[ . 1 . ]" 1
587 1 17 ILE MG 1 29 PHE HZ 3.400 . 4.900 3.796 3.231 4.995 0.095 19 0 "[ . 1 . ]" 1
588 1 17 ILE HB 1 29 PHE QE 4.600 . 6.000 4.715 4.185 5.956 . 0 0 "[ . 1 . ]" 1
589 1 17 ILE HA 1 17 ILE HG13 3.100 . 4.300 2.600 2.208 2.832 . 0 0 "[ . 1 . ]" 1
590 1 17 ILE HG13 1 29 PHE QD 4.800 . 6.000 5.170 4.928 5.368 . 0 0 "[ . 1 . ]" 1
591 1 17 ILE HG13 1 17 ILE MG 3.700 . 5.400 3.136 2.780 3.202 . 0 0 "[ . 1 . ]" 1
592 1 17 ILE MD 1 17 ILE HG12 2.300 . 3.000 2.112 2.107 2.121 . 0 0 "[ . 1 . ]" 1
593 1 17 ILE MD 1 29 PHE HB2 3.300 . 4.700 2.240 2.017 2.745 . 0 0 "[ . 1 . ]" 1
594 1 17 ILE MD 1 29 PHE HB3 3.500 . 5.000 2.973 2.581 3.731 . 0 0 "[ . 1 . ]" 1
595 1 17 ILE MD 1 26 LYS HE3 3.800 . 5.600 4.564 3.284 5.970 0.370 19 0 "[ . 1 . ]" 1
596 1 17 ILE MD 1 26 LYS HA 2.600 . 3.500 1.979 1.663 2.888 0.037 3 0 "[ . 1 . ]" 1
597 1 17 ILE MD 1 29 PHE QE 3.300 . 4.700 3.794 3.223 4.781 0.081 16 0 "[ . 1 . ]" 1
598 1 17 ILE MD 1 29 PHE QD 3.000 . 4.100 2.944 2.558 3.502 . 0 0 "[ . 1 . ]" 1
599 1 17 ILE MD 1 29 PHE HZ 4.300 . 6.000 4.691 3.903 6.024 0.024 8 0 "[ . 1 . ]" 1
600 1 18 GLN HA 1 18 GLN HG3 3.100 . 4.300 3.068 2.395 3.791 . 0 0 "[ . 1 . ]" 1
601 1 18 GLN HA 1 18 GLN HG2 2.500 . 3.300 2.607 2.340 3.740 0.440 9 0 "[ . 1 . ]" 1
602 1 18 GLN HA 1 18 GLN HB3 2.400 . 3.100 2.518 2.400 2.837 . 0 0 "[ . 1 . ]" 1
603 1 19 CYS HA 1 19 CYS HB3 2.800 . 3.800 2.925 2.288 3.033 . 0 0 "[ . 1 . ]" 1
604 1 19 CYS HA 1 19 CYS HB2 2.700 . 3.600 2.553 2.453 3.013 . 0 0 "[ . 1 . ]" 1
605 1 17 ILE MG 1 19 CYS HB2 3.600 . 5.200 3.163 2.351 4.558 . 0 0 "[ . 1 . ]" 1
606 1 17 ILE MG 1 19 CYS HA 3.900 . 5.800 3.968 3.346 5.279 . 0 0 "[ . 1 . ]" 1
607 1 19 CYS HA 1 50 ILE MG 3.900 . 6.000 5.513 4.884 6.072 0.072 12 0 "[ . 1 . ]" 1
608 1 19 CYS HB3 1 29 PHE QE 3.800 . 6.000 3.397 2.544 4.010 . 0 0 "[ . 1 . ]" 1
609 1 19 CYS HB2 1 29 PHE QE 3.000 . 6.000 2.282 1.651 4.008 . 0 0 "[ . 1 . ]" 1
610 1 19 CYS HB2 1 29 PHE QD 5.000 . 6.000 3.660 2.611 5.417 . 0 0 "[ . 1 . ]" 1
611 1 19 CYS HB3 1 29 PHE QD 5.300 . 6.000 4.452 3.576 5.694 . 0 0 "[ . 1 . ]" 1
612 1 19 CYS HB2 1 29 PHE HZ 4.100 . 6.000 4.323 3.423 6.077 0.077 16 0 "[ . 1 . ]" 1
613 1 19 CYS HB3 1 29 PHE HZ 4.500 . 6.000 5.405 3.695 6.027 0.027 11 0 "[ . 1 . ]" 1
614 1 19 CYS HB2 1 24 PHE QD 3.400 . 4.900 3.193 2.557 4.735 . 0 0 "[ . 1 . ]" 1
615 1 19 CYS HB3 1 24 PHE QD 3.300 . 4.700 3.052 1.970 4.765 0.065 5 0 "[ . 1 . ]" 1
616 1 19 CYS HB3 1 24 PHE QE 3.000 . 4.100 2.397 1.878 5.033 0.933 5 1 "[ + 1 . ]" 1
617 1 19 CYS HB2 1 24 PHE QE 3.800 . 5.600 3.456 2.411 4.148 . 0 0 "[ . 1 . ]" 1
618 1 20 ASN HA 1 20 ASN HB3 2.900 . 4.000 3.021 2.975 3.029 . 0 0 "[ . 1 . ]" 1
619 1 20 ASN HA 1 20 ASN HB2 2.600 . 3.400 2.468 2.295 2.561 . 0 0 "[ . 1 . ]" 1
620 1 20 ASN HB2 1 45 ALA MB 2.900 . 6.000 2.980 1.892 3.883 . 0 0 "[ . 1 . ]" 1
621 1 20 ASN HB3 1 45 ALA MB 3.200 . 4.500 3.850 3.012 4.483 . 0 0 "[ . 1 . ]" 1
622 1 22 ARG HA 1 22 ARG HB2 2.600 . 3.400 2.853 2.433 3.026 . 0 0 "[ . 1 . ]" 1
623 1 22 ARG HB3 1 24 PHE QE 3.400 . 4.900 3.234 2.464 3.999 . 0 0 "[ . 1 . ]" 1
624 1 22 ARG HB2 1 24 PHE QE 3.100 . 4.300 3.053 2.180 4.609 0.309 14 0 "[ . 1 . ]" 1
625 1 22 ARG HA 1 22 ARG HG3 3.000 . 4.100 3.108 2.423 3.835 . 0 0 "[ . 1 . ]" 1
626 1 22 ARG HG3 1 24 PHE QE 3.700 . 5.500 4.371 3.398 5.106 . 0 0 "[ . 1 . ]" 1
627 1 22 ARG HB3 1 22 ARG HG3 2.600 . 3.500 2.755 2.382 3.013 . 0 0 "[ . 1 . ]" 1
628 1 24 PHE HA 1 24 PHE HB3 2.600 . 3.400 2.455 2.382 2.489 . 0 0 "[ . 1 . ]" 1
629 1 24 PHE HA 1 24 PHE QE 4.400 . 6.000 4.653 4.531 4.763 . 0 0 "[ . 1 . ]" 1
630 1 25 HIS HA 1 25 HIS HB3 2.900 . 3.900 2.570 2.470 2.712 . 0 0 "[ . 1 . ]" 1
631 1 26 LYS HA 1 29 PHE HB2 2.700 . 3.600 2.913 2.488 3.503 . 0 0 "[ . 1 . ]" 1
632 1 26 LYS HA 1 29 PHE HB3 3.000 . 4.100 3.614 2.995 4.154 0.054 16 0 "[ . 1 . ]" 1
633 1 26 LYS HA 1 26 LYS HB3 2.800 . 3.800 2.971 2.476 3.037 . 0 0 "[ . 1 . ]" 1
634 1 26 LYS HA 1 26 LYS HB2 2.500 . 3.300 2.531 2.351 3.025 . 0 0 "[ . 1 . ]" 1
635 1 26 LYS HA 1 26 LYS HD3 3.700 . 5.400 4.554 3.406 4.923 . 0 0 "[ . 1 . ]" 1
636 1 26 LYS HA 1 26 LYS HG3 2.700 . 3.600 2.786 2.431 3.743 0.143 12 0 "[ . 1 . ]" 1
637 1 26 LYS HA 1 29 PHE QD 4.300 . 6.000 4.679 4.319 5.027 . 0 0 "[ . 1 . ]" 1
638 1 26 LYS HE3 1 26 LYS HG3 2.600 . 3.500 3.035 2.342 3.863 0.363 2 0 "[ . 1 . ]" 1
639 1 17 ILE MG 1 26 LYS HG3 4.700 . 6.000 5.526 4.252 6.761 0.761 13 3 "[ . * 1 -+ . ]" 1
640 1 17 ILE MD 1 26 LYS HG3 2.700 . 3.600 2.676 1.932 3.717 0.117 13 0 "[ . 1 . ]" 1
641 1 26 LYS HD3 1 26 LYS HE3 2.600 . 3.400 2.737 2.437 3.016 . 0 0 "[ . 1 . ]" 1
642 1 17 ILE MD 1 26 LYS HD3 4.600 . 6.000 4.587 3.553 5.347 . 0 0 "[ . 1 . ]" 1
643 1 27 THR HA 1 27 THR HB 2.600 . 3.400 2.793 2.478 3.025 . 0 0 "[ . 1 . ]" 1
644 1 27 THR HB 1 27 THR MG 2.100 . 2.700 2.135 2.126 2.140 . 0 0 "[ . 1 . ]" 1
645 1 27 THR HA 1 27 THR MG 2.400 . 6.000 2.434 2.213 3.216 . 0 0 "[ . 1 . ]" 1
646 1 28 CYS HA 1 28 CYS HB3 2.700 . 3.600 2.444 2.348 2.529 . 0 0 "[ . 1 . ]" 1
647 1 29 PHE HB3 1 29 PHE QD 2.700 . 3.600 2.282 2.242 2.320 . 0 0 "[ . 1 . ]" 1
648 1 29 PHE HA 1 29 PHE HB2 2.900 . 3.900 2.484 2.429 2.539 . 0 0 "[ . 1 . ]" 1
649 1 29 PHE HA 1 50 ILE MD 2.600 . 6.000 3.088 2.758 3.514 . 0 0 "[ . 1 . ]" 1
650 1 30 HIS HA 1 30 HIS HB3 2.200 . 2.800 2.376 2.231 2.454 . 0 0 "[ . 1 . ]" 1
651 1 29 PHE QD 1 30 HIS HA 3.500 . 5.000 4.350 3.901 4.631 . 0 0 "[ . 1 . ]" 1
652 1 29 PHE QE 1 30 HIS HA 3.500 . 6.000 5.466 4.996 5.858 . 0 0 "[ . 1 . ]" 1
653 1 30 HIS HA 1 37 ALA HA 3.700 . 5.400 3.488 2.965 3.876 . 0 0 "[ . 1 . ]" 1
654 1 29 PHE HA 1 30 HIS HB3 3.200 . 6.000 5.650 4.961 6.391 0.391 16 0 "[ . 1 . ]" 1
655 1 30 HIS HB3 1 37 ALA HA 3.900 . 5.800 2.147 1.913 3.085 0.087 1 0 "[ . 1 . ]" 1
656 1 30 HIS HA 1 38 LEU MD2 2.400 . 6.000 2.477 2.226 2.829 . 0 0 "[ . 1 . ]" 1
657 1 30 HIS HA 1 38 LEU HB3 4.800 . 6.000 3.973 3.550 4.844 . 0 0 "[ . 1 . ]" 1
658 1 30 HIS HA 1 38 LEU MD1 4.600 . 6.000 4.652 4.470 5.150 . 0 0 "[ . 1 . ]" 1
659 1 30 HIS HA 1 38 LEU HG 3.700 . 5.400 4.063 3.691 4.819 . 0 0 "[ . 1 . ]" 1
660 1 31 CYS HA 1 31 CYS QB 2.900 . 3.000 2.382 2.333 2.404 . 0 0 "[ . 1 . ]" 1
661 1 31 CYS HA 1 51 TYR HA 2.600 . 6.000 2.489 2.018 3.055 . 0 0 "[ . 1 . ]" 1
662 1 31 CYS QB 1 51 TYR HA 4.000 . 4.700 3.680 3.447 4.256 . 0 0 "[ . 1 . ]" 1
663 1 31 CYS HA 1 51 TYR QD 4.000 . 6.000 4.043 3.543 4.720 . 0 0 "[ . 1 . ]" 1
664 1 31 CYS QB 1 38 LEU MD1 3.300 . 6.000 3.994 3.816 4.120 . 0 0 "[ . 1 . ]" 1
665 1 31 CYS QB 1 38 LEU HG 3.800 . 5.600 4.254 4.113 4.390 . 0 0 "[ . 1 . ]" 1
666 1 31 CYS HA 1 38 LEU MD1 4.700 . 6.000 4.903 4.482 5.038 . 0 0 "[ . 1 . ]" 1
667 1 31 CYS HA 1 38 LEU HG 3.100 . 4.300 4.179 3.687 4.266 . 0 0 "[ . 1 . ]" 1
668 1 32 MET HA 1 32 MET HG3 3.300 . 4.700 3.769 3.297 4.204 . 0 0 "[ . 1 . ]" 1
669 1 32 MET HA 1 32 MET HG2 2.800 . 3.800 3.165 2.977 3.734 . 0 0 "[ . 1 . ]" 1
670 1 32 MET HA 1 32 MET ME 3.600 . 5.200 3.884 2.248 4.160 . 0 0 "[ . 1 . ]" 1
671 1 32 MET HB2 1 32 MET HG2 3.000 . 4.100 2.446 2.318 2.519 . 0 0 "[ . 1 . ]" 1
672 1 32 MET HB2 1 32 MET HG3 2.800 . 3.800 2.430 2.345 2.966 . 0 0 "[ . 1 . ]" 1
673 1 32 MET HB3 1 32 MET HG3 2.900 . 4.000 2.443 2.337 2.518 . 0 0 "[ . 1 . ]" 1
674 1 32 MET HA 1 32 MET HB3 2.700 . 3.600 2.474 2.237 3.023 . 0 0 "[ . 1 . ]" 1
675 1 32 MET HB3 1 51 TYR QE 3.500 . 5.100 3.508 2.989 4.430 . 0 0 "[ . 1 . ]" 1
676 1 32 MET ME 1 49 GLU HA 3.300 . 6.000 5.317 4.321 5.999 . 0 0 "[ . 1 . ]" 1
677 1 24 PHE QE 1 32 MET ME 3.000 . 6.000 2.788 2.363 3.193 . 0 0 "[ . 1 . ]" 1
678 1 51 TYR HB3 1 51 TYR QD 2.800 . 3.700 2.454 2.377 2.590 . 0 0 "[ . 1 . ]" 1
679 1 32 MET ME 1 32 MET HG3 2.700 . 3.600 2.578 2.466 3.393 . 0 0 "[ . 1 . ]" 1
680 1 32 MET HG3 1 49 GLU HA 4.200 . 6.000 4.744 4.052 5.440 . 0 0 "[ . 1 . ]" 1
681 1 32 MET ME 1 32 MET HG2 3.300 . 4.600 2.512 2.386 3.408 . 0 0 "[ . 1 . ]" 1
682 1 32 MET HG2 1 50 ILE HG13 4.900 . 6.000 4.876 4.425 5.401 . 0 0 "[ . 1 . ]" 1
683 1 32 MET ME 1 50 ILE HG13 4.100 . 6.000 4.854 4.329 5.411 . 0 0 "[ . 1 . ]" 1
684 1 32 MET ME 1 50 ILE HG12 3.000 . 4.200 3.431 2.911 3.981 . 0 0 "[ . 1 . ]" 1
685 1 32 MET HG3 1 50 ILE HG12 3.400 . 4.800 4.344 4.001 4.839 0.039 10 0 "[ . 1 . ]" 1
686 1 32 MET HG2 1 50 ILE HG12 3.200 . 4.500 3.205 2.765 3.891 . 0 0 "[ . 1 . ]" 1
687 1 32 MET ME 1 50 ILE MG 3.500 . 5.000 2.765 2.137 3.565 . 0 0 "[ . 1 . ]" 1
688 1 32 MET ME 1 50 ILE MD 3.200 . 4.500 3.047 2.485 3.677 . 0 0 "[ . 1 . ]" 1
689 1 32 MET HG3 1 50 ILE MD 4.400 . 6.000 4.981 4.692 5.864 . 0 0 "[ . 1 . ]" 1
690 1 33 ALA MB 1 51 TYR HB3 3.400 . 4.900 3.238 2.861 3.878 . 0 0 "[ . 1 . ]" 1
691 1 33 ALA MB 1 55 CYS HB2 2.700 . 6.000 2.837 2.529 3.955 . 0 0 "[ . 1 . ]" 1
692 1 6 ALA MB 1 50 ILE MD 2.600 . 6.000 5.511 4.695 5.996 . 0 0 "[ . 1 . ]" 1
693 1 33 ALA MB 1 51 TYR QE 2.600 . 6.000 2.633 2.190 3.002 . 0 0 "[ . 1 . ]" 1
694 1 33 ALA MB 1 55 CYS HB3 3.100 . 4.300 2.480 2.118 3.006 . 0 0 "[ . 1 . ]" 1
695 1 46 HIS HA 1 46 HIS QB 3.200 . 3.400 2.380 2.331 2.442 . 0 0 "[ . 1 . ]" 1
696 1 34 CYS HA 1 34 CYS HB2 3.000 . 4.100 2.449 2.367 2.476 . 0 0 "[ . 1 . ]" 1
697 1 35 ARG HA 1 35 ARG HB2 2.400 . 3.100 2.779 2.552 3.020 . 0 0 "[ . 1 . ]" 1
698 1 35 ARG HB3 1 35 ARG HD3 3.200 . 4.500 3.520 2.927 3.752 . 0 0 "[ . 1 . ]" 1
699 1 35 ARG HB2 1 35 ARG HD3 2.800 . 3.800 3.136 2.539 4.233 0.433 10 0 "[ . 1 . ]" 1
700 1 35 ARG HA 1 35 ARG HG3 2.800 . 3.800 3.097 2.578 3.725 . 0 0 "[ . 1 . ]" 1
701 1 35 ARG HA 1 35 ARG HD3 2.100 . 2.700 2.344 1.684 3.566 0.866 10 1 "[ . + . ]" 1
702 1 36 LYS HA 1 36 LYS HB2 2.600 . 3.400 2.477 2.420 2.791 . 0 0 "[ . 1 . ]" 1
703 1 36 LYS HB3 1 36 LYS HE3 4.200 . 6.000 4.699 2.339 5.499 . 0 0 "[ . 1 . ]" 1
704 1 36 LYS HB2 1 36 LYS HE3 4.000 . 6.000 4.486 3.771 4.837 . 0 0 "[ . 1 . ]" 1
705 1 36 LYS HA 1 36 LYS QG 2.700 . 3.600 2.788 2.431 3.027 . 0 0 "[ . 1 . ]" 1
706 1 36 LYS HE3 1 36 LYS QG 2.300 . 2.900 2.676 2.326 3.413 0.513 4 1 "[ +. 1 . ]" 1
707 1 31 CYS QB 1 36 LYS QG 4.000 . 6.000 3.795 3.498 4.125 . 0 0 "[ . 1 . ]" 1
708 1 31 CYS QB 1 35 ARG HG3 4.500 . 6.000 5.541 5.046 6.192 0.192 10 0 "[ . 1 . ]" 1
709 1 31 CYS QB 1 36 LYS HB2 4.500 . 6.000 3.469 2.371 3.872 . 0 0 "[ . 1 . ]" 1
710 1 36 LYS HA 1 36 LYS HE3 3.300 . 6.000 4.826 3.779 6.210 0.210 6 0 "[ . 1 . ]" 1
711 1 37 ALA HA 1 37 ALA MB 2.100 . 2.600 2.131 2.121 2.135 . 0 0 "[ . 1 . ]" 1
712 1 30 HIS HD2 1 37 ALA HA 3.300 . 4.700 4.727 4.434 4.815 0.115 10 0 "[ . 1 . ]" 1
713 1 30 HIS HE1 1 37 ALA HA 3.100 . 6.000 5.702 4.118 6.092 0.092 13 0 "[ . 1 . ]" 1
714 1 30 HIS HD2 1 37 ALA MB 4.700 . 6.000 5.469 4.670 5.770 . 0 0 "[ . 1 . ]" 1
715 1 30 HIS HB3 1 37 ALA MB 4.900 . 6.000 3.479 3.171 4.378 . 0 0 "[ . 1 . ]" 1
716 1 38 LEU HA 1 38 LEU HB3 2.600 . 3.400 2.649 2.603 2.724 . 0 0 "[ . 1 . ]" 1
717 1 38 LEU HB3 1 43 VAL HB 3.000 . 4.100 2.128 1.878 2.660 0.022 1 0 "[ . 1 . ]" 1
718 1 43 VAL HB 1 43 VAL MG2 2.200 . 6.000 2.123 2.119 2.127 . 0 0 "[ . 1 . ]" 1
719 1 38 LEU HB3 1 38 LEU MD2 3.600 . 5.200 3.185 3.177 3.196 . 0 0 "[ . 1 . ]" 1
720 1 38 LEU HB3 1 38 LEU MD1 2.700 . 3.600 2.452 2.410 2.484 . 0 0 "[ . 1 . ]" 1
721 1 38 LEU HB3 1 38 LEU HG 2.100 . 2.600 2.374 2.348 2.409 . 0 0 "[ . 1 . ]" 1
722 1 38 LEU HA 1 38 LEU MD1 2.200 . 2.800 1.804 1.736 1.857 . 0 0 "[ . 1 . ]" 1
723 1 38 LEU HA 1 38 LEU MD2 3.000 . 4.100 2.682 2.491 2.857 . 0 0 "[ . 1 . ]" 1
724 1 29 PHE QD 1 38 LEU HA 4.800 . 6.000 5.662 5.427 5.945 . 0 0 "[ . 1 . ]" 1
725 1 38 LEU MD2 1 38 LEU HG 2.400 . 3.100 2.118 2.110 2.127 . 0 0 "[ . 1 . ]" 1
726 1 38 LEU MD1 1 38 LEU MD2 2.600 . 6.000 2.072 2.058 2.089 . 0 0 "[ . 1 . ]" 1
727 1 38 LEU MD1 1 38 LEU HG 2.100 . 2.700 2.126 2.122 2.130 . 0 0 "[ . 1 . ]" 1
728 1 38 LEU MD1 1 43 VAL HA 2.400 . 3.100 1.938 1.778 2.203 . 0 0 "[ . 1 . ]" 1
729 1 38 LEU MD1 1 52 CYS HA 2.100 . 2.600 1.711 1.544 1.999 0.056 6 0 "[ . 1 . ]" 1
730 1 29 PHE QE 1 38 LEU MD1 4.600 . 6.000 5.122 4.911 5.285 . 0 0 "[ . 1 . ]" 1
731 1 29 PHE QD 1 38 LEU MD1 5.000 . 6.000 5.799 5.481 6.024 0.024 6 0 "[ . 1 . ]" 1
732 1 29 PHE HZ 1 38 LEU MD1 5.100 . 6.000 5.910 5.671 6.049 0.049 6 0 "[ . 1 . ]" 1
733 1 38 LEU MD1 1 51 TYR HA 4.700 . 6.000 4.912 4.482 5.129 . 0 0 "[ . 1 . ]" 1
734 1 38 LEU HG 1 50 ILE MG 4.300 . 6.000 5.956 5.738 6.057 0.057 19 0 "[ . 1 . ]" 1
735 1 38 LEU HG 1 50 ILE HB 4.000 . 6.000 5.752 5.405 5.994 . 0 0 "[ . 1 . ]" 1
736 1 38 LEU HG 1 43 VAL HB 2.900 . 4.000 2.487 2.279 2.847 . 0 0 "[ . 1 . ]" 1
737 1 31 CYS QB 1 38 LEU HA 4.700 . 6.000 5.446 5.260 5.663 . 0 0 "[ . 1 . ]" 1
738 1 38 LEU HA 1 38 LEU HG 3.600 . 5.200 3.651 3.613 3.689 . 0 0 "[ . 1 . ]" 1
739 1 38 LEU HG 1 43 VAL HA 2.800 . 3.700 2.419 2.152 2.812 . 0 0 "[ . 1 . ]" 1
740 1 38 LEU HG 1 52 CYS HA 3.800 . 5.600 3.284 3.133 3.553 . 0 0 "[ . 1 . ]" 1
741 1 38 LEU HG 1 51 TYR HA 3.200 . 4.500 4.393 4.100 4.549 0.049 15 0 "[ . 1 . ]" 1
742 1 29 PHE HZ 1 38 LEU HG 4.500 . 6.000 5.982 5.713 6.082 0.082 3 0 "[ . 1 . ]" 1
743 1 40 SER HA 1 43 VAL MG1 3.100 . 6.000 2.765 2.145 3.416 . 0 0 "[ . 1 . ]" 1
744 1 40 SER HB3 1 43 VAL MG1 4.000 . 6.000 4.629 4.100 5.160 . 0 0 "[ . 1 . ]" 1
745 1 40 SER HA 1 40 SER HB3 2.500 . 3.300 2.492 2.333 3.029 . 0 0 "[ . 1 . ]" 1
746 1 41 THR HA 1 41 THR HB 2.400 . 3.100 2.720 2.439 3.017 . 0 0 "[ . 1 . ]" 1
747 1 41 THR HB 1 41 THR MG 2.200 . 2.800 2.134 2.129 2.139 . 0 0 "[ . 1 . ]" 1
748 1 41 THR HA 1 41 THR MG 2.500 . 3.300 2.456 2.208 3.217 . 0 0 "[ . 1 . ]" 1
749 1 42 THR HA 1 42 THR MG 2.500 . 3.300 2.254 2.161 2.292 . 0 0 "[ . 1 . ]" 1
750 1 42 THR HA 1 53 LYS QE 3.700 . 5.400 2.658 1.934 4.047 0.066 1 0 "[ . 1 . ]" 1
751 1 42 THR HA 1 53 LYS HG3 3.900 . 5.800 4.132 3.537 4.550 . 0 0 "[ . 1 . ]" 1
752 1 42 THR HA 1 53 LYS HD3 4.000 . 6.000 4.532 3.289 5.702 . 0 0 "[ . 1 . ]" 1
753 1 38 LEU MD1 1 42 THR HB 3.400 . 4.900 2.714 2.430 3.105 . 0 0 "[ . 1 . ]" 1
754 1 43 VAL MG1 1 43 VAL MG2 2.200 . 6.000 2.076 2.065 2.085 . 0 0 "[ . 1 . ]" 1
755 1 43 VAL MG1 1 50 ILE MG 4.100 . 6.000 5.208 4.651 5.457 . 0 0 "[ . 1 . ]" 1
756 1 43 VAL MG1 1 50 ILE MD 4.100 . 6.000 3.396 3.152 3.542 . 0 0 "[ . 1 . ]" 1
757 1 43 VAL MG2 1 50 ILE MD 2.700 . 6.000 1.981 1.785 2.091 . 0 0 "[ . 1 . ]" 1
758 1 38 LEU HG 1 43 VAL MG1 4.000 . 6.000 4.121 3.963 4.437 . 0 0 "[ . 1 . ]" 1
759 1 38 LEU HG 1 43 VAL MG2 2.500 . 6.000 2.855 2.604 3.221 . 0 0 "[ . 1 . ]" 1
760 1 50 ILE HB 1 50 ILE MD 2.700 . 3.600 2.461 2.397 2.484 . 0 0 "[ . 1 . ]" 1
761 1 38 LEU MD2 1 43 VAL MG2 3.500 . 6.000 4.010 3.786 4.323 . 0 0 "[ . 1 . ]" 1
762 1 43 VAL HB 1 43 VAL MG1 2.400 . 3.100 2.138 2.134 2.142 . 0 0 "[ . 1 . ]" 1
763 1 19 CYS HB3 1 43 VAL MG1 4.100 . 6.000 5.462 3.869 6.052 0.052 9 0 "[ . 1 . ]" 1
764 1 19 CYS HB2 1 43 VAL MG1 3.900 . 6.000 4.848 4.197 6.014 0.014 16 0 "[ . 1 . ]" 1
765 1 43 VAL HA 1 43 VAL MG2 2.300 . 6.000 2.540 2.490 2.606 . 0 0 "[ . 1 . ]" 1
766 1 29 PHE QE 1 43 VAL MG2 3.200 . 6.000 3.581 3.362 3.949 . 0 0 "[ . 1 . ]" 1
767 1 29 PHE QE 1 43 VAL MG1 3.000 . 6.000 2.991 2.710 3.432 . 0 0 "[ . 1 . ]" 1
768 1 29 PHE QD 1 43 VAL MG1 4.300 . 6.000 4.578 4.275 5.074 . 0 0 "[ . 1 . ]" 1
769 1 29 PHE HZ 1 43 VAL MG1 2.400 . 6.000 2.066 1.652 2.541 . 0 0 "[ . 1 . ]" 1
770 1 29 PHE QD 1 43 VAL MG2 4.400 . 6.000 4.709 4.457 5.228 . 0 0 "[ . 1 . ]" 1
771 1 29 PHE HZ 1 43 VAL MG2 2.700 . 6.000 3.488 2.975 3.875 . 0 0 "[ . 1 . ]" 1
772 1 29 PHE QE 1 43 VAL HB 3.300 . 4.700 3.831 3.409 4.020 . 0 0 "[ . 1 . ]" 1
773 1 29 PHE HZ 1 43 VAL HB 3.400 . 4.900 3.799 3.376 3.931 . 0 0 "[ . 1 . ]" 1
774 1 43 VAL HA 1 43 VAL HB 2.000 . 2.500 2.324 2.302 2.346 . 0 0 "[ . 1 . ]" 1
775 1 44 ALA HA 1 53 LYS HG2 3.300 . 6.000 4.731 4.053 5.473 . 0 0 "[ . 1 . ]" 1
776 1 44 ALA HA 1 53 LYS HG3 4.400 . 6.000 5.381 4.430 6.025 0.025 5 0 "[ . 1 . ]" 1
777 1 44 ALA MB 1 52 CYS HA 3.600 . 5.300 4.067 3.764 4.319 . 0 0 "[ . 1 . ]" 1
778 1 44 ALA MB 1 51 TYR HA 4.700 . 6.000 5.010 4.718 5.206 . 0 0 "[ . 1 . ]" 1
779 1 44 ALA MB 1 56 TYR QD 2.700 . 6.000 2.731 2.526 3.066 . 0 0 "[ . 1 . ]" 1
780 1 44 ALA MB 1 51 TYR QD 3.600 . 6.000 4.234 4.125 4.322 . 0 0 "[ . 1 . ]" 1
781 1 45 ALA HA 1 45 ALA MB 2.300 . 3.000 2.127 2.123 2.131 . 0 0 "[ . 1 . ]" 1
782 1 45 ALA HA 1 50 ILE MD 5.700 . 6.000 5.113 4.872 5.356 . 0 0 "[ . 1 . ]" 1
783 1 45 ALA HA 1 50 ILE MG 3.400 . 4.800 4.082 3.655 4.274 . 0 0 "[ . 1 . ]" 1
784 1 43 VAL MG2 1 45 ALA HA 3.800 . 5.600 3.636 3.470 3.861 . 0 0 "[ . 1 . ]" 1
785 1 45 ALA HA 1 50 ILE HB 4.400 . 6.000 3.265 3.063 3.546 . 0 0 "[ . 1 . ]" 1
786 1 45 ALA HA 1 50 ILE HA 2.300 . 2.900 2.067 1.849 2.192 . 0 0 "[ . 1 . ]" 1
787 1 45 ALA HA 1 56 TYR QD 3.900 . 6.000 4.961 4.345 5.165 . 0 0 "[ . 1 . ]" 1
788 1 45 ALA HA 1 51 TYR QD 3.600 . 6.000 4.704 4.245 5.011 . 0 0 "[ . 1 . ]" 1
789 1 45 ALA MB 1 56 TYR QD 4.600 . 6.000 5.942 5.453 6.082 0.082 9 0 "[ . 1 . ]" 1
790 1 45 ALA MB 1 56 TYR QE 4.600 . 6.000 5.456 4.795 5.932 . 0 0 "[ . 1 . ]" 1
791 1 45 ALA MB 1 51 TYR QD 4.600 . 6.000 5.844 5.488 6.037 0.037 5 0 "[ . 1 . ]" 1
792 1 46 HIS QB 1 60 TYR QE 3.900 . 6.000 3.532 3.065 4.193 . 0 0 "[ . 1 . ]" 1
793 1 46 HIS QB 1 56 TYR QE 5.000 . 6.000 1.746 1.173 2.661 . 0 0 "[ . 1 . ]" 1
794 1 46 HIS QB 1 46 HIS HD2 3.500 . 5.000 2.839 2.676 3.097 . 0 0 "[ . 1 . ]" 1
795 1 46 HIS QB 1 51 TYR QD 4.200 . 6.000 4.310 3.641 4.876 . 0 0 "[ . 1 . ]" 1
796 1 46 HIS HA 1 56 TYR QE 4.200 . 6.000 3.967 3.327 4.656 . 0 0 "[ . 1 . ]" 1
797 1 46 HIS HA 1 46 HIS HD2 3.800 . 5.600 3.785 2.502 4.517 . 0 0 "[ . 1 . ]" 1
798 1 46 HIS QB 1 56 TYR QD 3.200 . 6.000 3.678 3.186 4.246 . 0 0 "[ . 1 . ]" 1
799 1 46 HIS QB 1 49 GLU HB3 4.000 . 6.000 4.390 3.469 5.717 . 0 0 "[ . 1 . ]" 1
800 1 47 GLU HA 1 47 GLU HB3 2.700 . 3.600 2.542 2.398 3.018 . 0 0 "[ . 1 . ]" 1
801 1 47 GLU HA 1 47 GLU HB2 2.700 . 3.600 2.945 2.478 3.029 . 0 0 "[ . 1 . ]" 1
802 1 47 GLU HA 1 47 GLU HG3 3.100 . 4.300 3.336 2.505 3.830 . 0 0 "[ . 1 . ]" 1
803 1 47 GLU HA 1 47 GLU HG2 2.700 . 3.600 3.009 2.485 3.691 0.091 5 0 "[ . 1 . ]" 1
804 1 46 HIS HD2 1 47 GLU HB3 4.300 . 6.000 4.836 3.093 6.064 0.064 12 0 "[ . 1 . ]" 1
805 1 46 HIS HD2 1 47 GLU HB2 3.900 . 5.800 3.710 2.020 5.421 . 0 0 "[ . 1 . ]" 1
806 1 47 GLU HB3 1 47 GLU HG3 2.800 . 3.800 2.665 2.369 3.013 . 0 0 "[ . 1 . ]" 1
807 1 47 GLU HB3 1 47 GLU HG2 2.700 . 3.600 2.697 2.368 3.010 . 0 0 "[ . 1 . ]" 1
808 1 46 HIS HD2 1 47 GLU HG3 3.800 . 5.600 4.037 3.082 6.011 0.411 11 0 "[ . 1 . ]" 1
809 1 48 SER HA 1 48 SER HB3 2.400 . 3.100 2.570 2.319 3.031 . 0 0 "[ . 1 . ]" 1
810 1 49 GLU HG3 1 51 TYR QE 3.900 . 6.000 4.118 3.103 5.178 . 0 0 "[ . 1 . ]" 1
811 1 49 GLU HA 1 49 GLU HG3 3.400 . 4.800 3.250 2.860 3.819 . 0 0 "[ . 1 . ]" 1
812 1 49 GLU HB3 1 51 TYR QE 2.700 . 6.000 2.101 1.369 3.095 . 0 0 "[ . 1 . ]" 1
813 1 50 ILE HA 1 50 ILE HB 2.400 . 3.100 2.244 2.217 2.257 . 0 0 "[ . 1 . ]" 1
814 1 44 ALA HA 1 50 ILE HG13 3.700 . 6.000 6.020 5.850 6.240 0.240 10 0 "[ . 1 . ]" 1
815 1 29 PHE HZ 1 50 ILE HB 4.600 . 6.000 5.986 5.382 6.103 0.103 17 0 "[ . 1 . ]" 1
816 1 51 TYR HB3 1 51 TYR QE 4.100 . 6.000 4.426 4.402 4.461 . 0 0 "[ . 1 . ]" 1
817 1 50 ILE HB 1 50 ILE HG13 2.700 . 3.600 2.439 2.407 2.496 . 0 0 "[ . 1 . ]" 1
818 1 43 VAL MG2 1 50 ILE HB 2.600 . 3.500 2.580 2.039 2.899 . 0 0 "[ . 1 . ]" 1
819 1 43 VAL MG2 1 50 ILE HA 3.400 . 4.800 3.250 3.074 3.427 . 0 0 "[ . 1 . ]" 1
820 1 50 ILE HA 1 50 ILE HG12 3.700 . 5.400 3.567 3.491 3.706 . 0 0 "[ . 1 . ]" 1
821 1 45 ALA MB 1 50 ILE HA 3.600 . 5.200 3.127 2.833 3.444 . 0 0 "[ . 1 . ]" 1
822 1 50 ILE HA 1 50 ILE HG13 3.400 . 4.800 3.057 2.968 3.234 . 0 0 "[ . 1 . ]" 1
823 1 50 ILE HA 1 50 ILE MD 4.300 . 6.000 4.025 3.985 4.086 . 0 0 "[ . 1 . ]" 1
824 1 38 LEU HG 1 50 ILE HA 4.400 . 6.000 6.017 5.909 6.096 0.096 10 0 "[ . 1 . ]" 1
825 1 50 ILE MD 1 50 ILE MG 2.200 . 6.000 1.877 1.846 1.994 . 0 0 "[ . 1 . ]" 1
826 1 50 ILE HG12 1 50 ILE MG 2.900 . 3.900 2.440 2.354 2.479 . 0 0 "[ . 1 . ]" 1
827 1 32 MET ME 1 50 ILE HB 4.700 . 6.000 5.132 4.453 5.920 . 0 0 "[ . 1 . ]" 1
828 1 50 ILE MD 1 50 ILE HG12 2.400 . 3.100 2.118 2.113 2.121 . 0 0 "[ . 1 . ]" 1
829 1 32 MET HG3 1 50 ILE HG13 4.300 . 6.000 5.975 5.620 6.229 0.229 10 0 "[ . 1 . ]" 1
830 1 29 PHE HB2 1 50 ILE MD 2.900 . 6.000 4.634 4.409 5.004 . 0 0 "[ . 1 . ]" 1
831 1 50 ILE MD 1 50 ILE HG13 2.300 . 3.000 2.122 2.117 2.130 . 0 0 "[ . 1 . ]" 1
832 1 51 TYR HA 1 51 TYR QD 2.800 . 3.800 2.860 2.620 3.047 . 0 0 "[ . 1 . ]" 1
833 1 51 TYR HA 1 51 TYR QE 4.500 . 6.000 4.736 4.613 4.832 . 0 0 "[ . 1 . ]" 1
834 1 51 TYR HB2 1 51 TYR QD 2.700 . 6.000 2.338 2.249 2.397 . 0 0 "[ . 1 . ]" 1
835 1 51 TYR HA 1 51 TYR HB3 2.700 . 3.600 2.435 2.382 2.484 . 0 0 "[ . 1 . ]" 1
836 1 51 TYR HB2 1 55 CYS HB3 4.600 . 6.000 4.504 3.913 4.828 . 0 0 "[ . 1 . ]" 1
837 1 51 TYR HB3 1 55 CYS HB3 3.500 . 5.000 3.518 2.589 3.797 . 0 0 "[ . 1 . ]" 1
838 1 51 TYR HA 1 55 CYS HB3 5.500 . 6.000 5.789 4.797 6.008 0.008 11 0 "[ . 1 . ]" 1
839 1 44 ALA MB 1 51 TYR HB2 3.500 . 5.000 3.441 3.228 3.685 . 0 0 "[ . 1 . ]" 1
840 1 52 CYS HA 1 52 CYS QB 2.300 . 3.000 2.194 2.180 2.331 . 0 0 "[ . 1 . ]" 1
841 1 31 CYS QB 1 52 CYS QB 2.100 . 2.600 2.236 1.877 4.265 1.665 6 1 "[ .+ 1 . ]" 1
842 1 53 LYS HA 1 53 LYS HG3 3.300 . 4.600 3.069 2.957 3.212 . 0 0 "[ . 1 . ]" 1
843 1 53 LYS HA 1 53 LYS HG2 2.700 . 3.600 2.488 2.397 2.548 . 0 0 "[ . 1 . ]" 1
844 1 53 LYS HA 1 53 LYS HD3 4.000 . 6.000 4.479 4.192 4.773 . 0 0 "[ . 1 . ]" 1
845 1 53 LYS HA 1 53 LYS HB3 2.300 . 3.000 2.496 2.446 2.525 . 0 0 "[ . 1 . ]" 1
846 1 52 CYS HA 1 53 LYS HA 4.000 . 6.000 4.284 4.172 4.416 . 0 0 "[ . 1 . ]" 1
847 1 53 LYS HB3 1 53 LYS QE 4.800 . 6.000 3.666 2.778 4.209 . 0 0 "[ . 1 . ]" 1
848 1 44 ALA MB 1 53 LYS HA 2.600 . 6.000 2.925 2.585 3.314 . 0 0 "[ . 1 . ]" 1
849 1 53 LYS QE 1 53 LYS HG3 3.100 . 4.300 2.408 2.315 2.528 . 0 0 "[ . 1 . ]" 1
850 1 53 LYS QE 1 53 LYS HG2 3.300 . 4.700 2.977 2.340 3.415 . 0 0 "[ . 1 . ]" 1
851 1 53 LYS HD3 1 53 LYS QE 2.400 . 3.100 2.341 2.155 2.389 . 0 0 "[ . 1 . ]" 1
852 1 44 ALA MB 1 53 LYS HD3 2.300 . 6.000 4.495 3.347 5.461 . 0 0 "[ . 1 . ]" 1
853 1 44 ALA MB 1 53 LYS QE 2.500 . 6.000 4.422 3.442 5.294 . 0 0 "[ . 1 . ]" 1
854 1 54 VAL HA 1 54 VAL QG 2.400 . 3.100 2.143 2.121 2.328 . 0 0 "[ . 1 . ]" 1
855 1 54 VAL HA 1 54 VAL HB 3.000 . 4.100 2.993 2.399 3.033 . 0 0 "[ . 1 . ]" 1
856 1 53 LYS HB3 1 54 VAL HA 3.800 . 5.600 4.595 4.392 4.722 . 0 0 "[ . 1 . ]" 1
857 1 55 CYS HA 1 55 CYS HB3 2.600 . 3.500 2.470 2.440 2.558 . 0 0 "[ . 1 . ]" 1
858 1 55 CYS HA 1 58 ARG HG3 3.300 . 6.000 3.891 2.289 5.221 . 0 0 "[ . 1 . ]" 1
859 1 55 CYS HA 1 58 ARG QD 2.800 . 3.800 2.786 1.737 3.736 0.063 5 0 "[ . 1 . ]" 1
860 1 55 CYS HA 1 58 ARG HG2 4.300 . 6.000 4.146 1.618 5.018 0.382 17 0 "[ . 1 . ]" 1
861 1 33 ALA MB 1 55 CYS HA 3.600 . 6.000 4.234 3.957 4.644 . 0 0 "[ . 1 . ]" 1
862 1 54 VAL QG 1 55 CYS HA 2.600 . 6.000 3.415 3.231 3.517 . 0 0 "[ . 1 . ]" 1
863 1 51 TYR QD 1 55 CYS HA 4.800 . 6.000 6.033 5.620 6.169 0.169 2 0 "[ . 1 . ]" 1
864 1 51 TYR QD 1 55 CYS HB3 3.600 . 5.200 4.023 3.251 4.340 . 0 0 "[ . 1 . ]" 1
865 1 51 TYR QD 1 55 CYS HB2 3.800 . 5.600 3.706 3.442 3.925 . 0 0 "[ . 1 . ]" 1
866 1 51 TYR QD 1 56 TYR HA 3.700 . 6.000 4.063 3.382 4.688 . 0 0 "[ . 1 . ]" 1
867 1 56 TYR HA 1 56 TYR QD 3.000 . 4.200 2.896 2.720 3.040 . 0 0 "[ . 1 . ]" 1
868 1 56 TYR HA 1 60 TYR QD 3.100 . 6.000 2.943 2.225 3.931 . 0 0 "[ . 1 . ]" 1
869 1 56 TYR HB3 1 56 TYR QD 2.800 . 3.800 2.385 2.321 2.446 . 0 0 "[ . 1 . ]" 1
870 1 56 TYR HB2 1 56 TYR QD 3.300 . 4.700 2.417 2.360 2.496 . 0 0 "[ . 1 . ]" 1
871 1 56 TYR HB2 1 56 TYR QE 4.800 . 6.000 4.421 4.406 4.448 . 0 0 "[ . 1 . ]" 1
872 1 56 TYR HA 1 56 TYR HB2 2.800 . 3.800 2.544 2.473 2.628 . 0 0 "[ . 1 . ]" 1
873 1 51 TYR QD 1 56 TYR HB3 4.900 . 6.000 5.566 4.523 5.986 . 0 0 "[ . 1 . ]" 1
874 1 51 TYR QD 1 56 TYR HB2 3.900 . 6.000 4.011 2.932 4.461 . 0 0 "[ . 1 . ]" 1
875 1 53 LYS HA 1 56 TYR HA 4.500 . 6.000 5.109 4.628 5.590 . 0 0 "[ . 1 . ]" 1
876 1 56 TYR HB2 1 57 GLY HA3 4.100 . 6.000 5.816 5.694 5.931 . 0 0 "[ . 1 . ]" 1
877 1 53 LYS HA 1 56 TYR HB3 2.700 . 3.600 2.441 1.943 2.798 . 0 0 "[ . 1 . ]" 1
878 1 58 ARG HB3 1 58 ARG QD 2.200 . 2.800 2.503 2.215 3.040 0.240 12 0 "[ . 1 . ]" 1
879 1 55 CYS HA 1 58 ARG HB3 3.100 . 4.300 3.041 1.597 4.548 0.303 7 0 "[ . 1 . ]" 1
880 1 58 ARG HA 1 58 ARG HB3 2.600 . 3.400 2.775 2.380 3.031 . 0 0 "[ . 1 . ]" 1
881 1 58 ARG HA 1 58 ARG HG3 3.000 . 4.100 2.921 2.549 3.815 . 0 0 "[ . 1 . ]" 1
882 1 58 ARG HA 1 58 ARG HG2 2.900 . 3.900 2.954 2.439 3.736 . 0 0 "[ . 1 . ]" 1
883 1 58 ARG QD 1 58 ARG HG3 2.500 . 3.300 2.300 2.166 2.410 . 0 0 "[ . 1 . ]" 1
884 1 58 ARG QD 1 58 ARG HG2 2.400 . 3.100 2.295 2.163 2.428 . 0 0 "[ . 1 . ]" 1
885 1 58 ARG HA 1 58 ARG QD 3.800 . 5.600 4.157 3.977 4.464 . 0 0 "[ . 1 . ]" 1
886 1 59 ARG HB3 1 60 TYR QD 3.800 . 5.600 3.307 2.465 5.118 . 0 0 "[ . 1 . ]" 1
887 1 59 ARG HB2 1 60 TYR QD 3.500 . 6.000 4.009 2.316 5.242 . 0 0 "[ . 1 . ]" 1
888 1 59 ARG HA 1 60 TYR QD 4.500 . 6.000 5.153 4.679 5.469 . 0 0 "[ . 1 . ]" 1
889 1 59 ARG HG3 1 60 TYR QD 4.600 . 6.000 4.845 2.948 5.406 . 0 0 "[ . 1 . ]" 1
890 1 59 ARG HG2 1 60 TYR QD 4.300 . 6.000 4.213 2.947 5.949 . 0 0 "[ . 1 . ]" 1
891 1 59 ARG HD3 1 60 TYR QE 3.200 . 6.000 3.509 2.619 4.807 . 0 0 "[ . 1 . ]" 1
892 1 59 ARG HA 1 59 ARG HD3 4.500 . 6.000 4.690 4.304 4.982 . 0 0 "[ . 1 . ]" 1
893 1 59 ARG HA 1 59 ARG HD2 4.200 . 6.000 4.557 4.295 4.861 . 0 0 "[ . 1 . ]" 1
894 1 59 ARG HA 1 59 ARG HB3 2.500 . 3.300 2.829 2.469 3.026 . 0 0 "[ . 1 . ]" 1
895 1 59 ARG HA 1 59 ARG HB2 2.500 . 3.300 2.620 2.355 3.027 . 0 0 "[ . 1 . ]" 1
896 1 59 ARG HB3 1 59 ARG HD2 3.300 . 4.600 3.157 2.429 3.726 . 0 0 "[ . 1 . ]" 1
897 1 59 ARG HB2 1 59 ARG HD2 3.500 . 5.100 2.944 2.282 3.748 . 0 0 "[ . 1 . ]" 1
898 1 59 ARG HB2 1 59 ARG HD3 3.400 . 4.900 2.976 2.410 3.754 . 0 0 "[ . 1 . ]" 1
899 1 59 ARG HB3 1 59 ARG HD3 3.900 . 5.800 2.882 2.441 3.721 . 0 0 "[ . 1 . ]" 1
900 1 59 ARG HD2 1 59 ARG HG3 2.600 . 3.500 2.545 2.244 3.017 . 0 0 "[ . 1 . ]" 1
901 1 59 ARG HD3 1 59 ARG HG3 2.500 . 3.300 2.742 2.378 3.016 . 0 0 "[ . 1 . ]" 1
902 1 59 ARG HD2 1 59 ARG HG2 2.600 . 3.400 2.742 2.376 3.015 . 0 0 "[ . 1 . ]" 1
903 1 59 ARG HD3 1 59 ARG HG2 2.700 . 3.600 2.613 2.343 3.018 . 0 0 "[ . 1 . ]" 1
904 1 59 ARG HA 1 59 ARG HG2 2.800 . 3.800 3.018 2.465 3.854 0.054 7 0 "[ . 1 . ]" 1
905 1 59 ARG HA 1 59 ARG HG3 3.100 . 4.300 2.807 2.520 3.640 . 0 0 "[ . 1 . ]" 1
906 1 59 ARG HD2 1 60 TYR QE 3.300 . 6.000 4.296 2.486 5.213 . 0 0 "[ . 1 . ]" 1
907 1 51 TYR QE 1 59 ARG HD2 3.700 . 5.400 4.353 3.272 5.571 0.171 9 0 "[ . 1 . ]" 1
908 1 51 TYR QE 1 59 ARG HD3 3.600 . 6.000 4.291 3.088 5.762 . 0 0 "[ . 1 . ]" 1
909 1 51 TYR QD 1 59 ARG HD2 3.800 . 5.600 5.145 4.030 6.368 0.768 9 1 "[ . +1 . ]" 1
910 1 60 TYR HA 1 60 TYR QD 2.600 . 3.500 2.854 2.509 3.117 . 0 0 "[ . 1 . ]" 1
911 1 56 TYR QD 1 60 TYR HB2 4.100 . 6.000 3.852 3.488 4.498 . 0 0 "[ . 1 . ]" 1
912 1 60 TYR HA 1 60 TYR HB3 2.400 . 3.100 2.512 2.465 2.569 . 0 0 "[ . 1 . ]" 1
913 1 2 ALA MB 1 11 VAL MG2 3.700 . 6.000 3.900 3.549 4.199 . 0 0 "[ . 1 . ]" 1
914 1 2 ALA MB 1 11 VAL HA 3.900 . 5.800 4.996 4.289 5.440 . 0 0 "[ . 1 . ]" 1
915 1 3 LYS HA 1 10 THR MG 4.000 . 6.000 3.409 2.968 3.725 . 0 0 "[ . 1 . ]" 1
916 1 3 LYS HA 1 11 VAL MG2 3.700 . 5.400 3.415 3.058 3.733 . 0 0 "[ . 1 . ]" 1
917 1 3 LYS HA 1 11 VAL MG1 4.900 . 6.000 5.121 4.757 5.458 . 0 0 "[ . 1 . ]" 1
918 1 3 LYS HA 1 3 LYS QE 4.800 . 6.000 4.088 3.917 4.313 . 0 0 "[ . 1 . ]" 1
919 1 3 LYS HA 1 10 THR HB 4.500 . 6.000 4.786 4.236 5.363 . 0 0 "[ . 1 . ]" 1
920 1 4 CYS HB3 1 11 VAL HB 4.800 . 6.000 5.815 5.588 6.041 0.041 18 0 "[ . 1 . ]" 1
921 1 6 ALA MB 1 24 PHE HA 4.800 . 6.000 4.460 3.712 5.290 . 0 0 "[ . 1 . ]" 1
922 1 3 LYS QB 1 8 GLU HA 2.900 . 4.000 3.820 3.205 4.035 0.035 18 0 "[ . 1 . ]" 1
923 1 3 LYS HG2 1 8 GLU HA 2.700 . 6.000 6.210 4.987 6.907 0.907 10 7 "[ *-*.* * + *. ]" 1
924 1 9 LYS HA 1 9 LYS HB3 2.600 . 3.400 2.415 2.363 2.468 . 0 0 "[ . 1 . ]" 1
925 1 9 LYS HA 1 9 LYS HG2 2.900 . 3.900 2.903 2.465 3.320 . 0 0 "[ . 1 . ]" 1
926 1 9 LYS HA 1 9 LYS HD3 3.700 . 5.400 3.749 2.089 4.743 . 0 0 "[ . 1 . ]" 1
927 1 9 LYS HA 1 9 LYS HG3 3.400 . 4.800 3.428 2.970 3.887 . 0 0 "[ . 1 . ]" 1
928 1 9 LYS HB3 1 9 LYS HD3 2.400 . 3.100 2.941 2.540 3.757 0.657 5 2 "[ + - . ]" 1
929 1 9 LYS HD3 1 9 LYS HE3 2.200 . 2.800 2.567 2.345 3.018 0.218 12 0 "[ . 1 . ]" 1
930 1 10 THR HA 1 11 VAL MG2 4.000 . 6.000 3.853 3.635 4.036 . 0 0 "[ . 1 . ]" 1
931 1 10 THR MG 1 11 VAL MG2 3.900 . 6.000 4.832 4.427 5.188 . 0 0 "[ . 1 . ]" 1
932 1 4 CYS HB2 1 11 VAL HA 3.800 . 5.600 4.557 4.222 4.864 . 0 0 "[ . 1 . ]" 1
933 1 11 VAL MG1 1 12 TYR QE 4.100 . 6.000 5.943 5.616 6.054 0.054 6 0 "[ . 1 . ]" 1
934 1 11 VAL HB 1 24 PHE HA 4.700 . 6.000 5.145 4.637 5.923 . 0 0 "[ . 1 . ]" 1
935 1 11 VAL MG1 1 16 GLU HB3 4.100 . 6.000 3.730 3.432 4.334 . 0 0 "[ . 1 . ]" 1
936 1 12 TYR HA 1 12 TYR QD 2.900 . 3.900 2.830 2.219 3.159 . 0 0 "[ . 1 . ]" 1
937 1 13 HIS HB3 1 13 HIS HD2 3.500 . 5.100 3.195 2.783 3.971 . 0 0 "[ . 1 . ]" 1
938 1 13 HIS HA 1 13 HIS HB3 2.500 . 3.300 2.534 2.371 3.027 . 0 0 "[ . 1 . ]" 1
939 1 13 HIS HA 1 13 HIS HD2 4.900 . 6.000 4.465 4.062 4.711 . 0 0 "[ . 1 . ]" 1
940 1 11 VAL MG2 1 14 ALA MB 3.800 . 6.000 6.120 6.010 6.226 0.226 10 0 "[ . 1 . ]" 1
941 1 13 HIS HD2 1 14 ALA HA 4.200 . 6.000 4.776 2.981 6.201 0.201 14 0 "[ . 1 . ]" 1
942 1 11 VAL MG1 1 15 GLU HG2 3.700 . 5.400 3.870 2.694 5.429 0.029 11 0 "[ . 1 . ]" 1
943 1 11 VAL MG2 1 15 GLU HG2 4.400 . 6.000 4.275 2.827 5.172 . 0 0 "[ . 1 . ]" 1
944 1 15 GLU HG2 1 25 HIS HD2 4.400 . 6.000 2.574 1.841 3.476 0.159 6 0 "[ . 1 . ]" 1
945 1 15 GLU HG2 1 25 HIS HE1 4.800 . 6.000 6.025 5.295 6.296 0.296 4 0 "[ . 1 . ]" 1
946 1 15 GLU HG3 1 25 HIS HD2 3.300 . 4.700 2.075 1.849 2.530 0.051 3 0 "[ . 1 . ]" 1
947 1 15 GLU HG3 1 25 HIS HE1 4.600 . 6.000 5.673 4.677 6.006 0.006 11 0 "[ . 1 . ]" 1
948 1 11 VAL MG1 1 15 GLU HB2 4.200 . 6.000 5.045 3.806 5.499 . 0 0 "[ . 1 . ]" 1
949 1 17 ILE HB 1 24 PHE QD 4.000 . 6.000 4.431 3.905 5.460 . 0 0 "[ . 1 . ]" 1
950 1 17 ILE MG 1 24 PHE QD 3.200 . 4.500 3.379 2.624 4.206 . 0 0 "[ . 1 . ]" 1
951 1 17 ILE HG12 1 29 PHE QD 5.100 . 6.000 4.647 3.782 5.108 . 0 0 "[ . 1 . ]" 1
952 1 17 ILE HG12 1 29 PHE QE 5.400 . 6.000 4.989 3.808 5.330 . 0 0 "[ . 1 . ]" 1
953 1 17 ILE HG12 1 29 PHE HZ 5.200 . 6.000 5.946 5.017 6.178 0.178 6 0 "[ . 1 . ]" 1
954 1 18 GLN HA 1 24 PHE QD 3.800 . 5.600 3.928 3.221 4.558 . 0 0 "[ . 1 . ]" 1
955 1 49 GLU HA 1 49 GLU HB3 2.700 . 3.600 2.468 2.393 2.539 . 0 0 "[ . 1 . ]" 1
956 1 22 ARG HB3 1 22 ARG HD3 3.600 . 5.300 3.032 2.272 4.191 . 0 0 "[ . 1 . ]" 1
957 1 22 ARG HD3 1 24 PHE QE 3.700 . 6.000 4.343 2.995 6.045 0.045 17 0 "[ . 1 . ]" 1
958 1 23 SER HA 1 23 SER QB 3.300 . 3.500 2.343 2.168 2.396 . 0 0 "[ . 1 . ]" 1
959 1 18 GLN HA 1 23 SER HA 2.500 . 3.300 2.476 2.075 2.981 . 0 0 "[ . 1 . ]" 1
960 1 23 SER HA 1 24 PHE QD 3.800 . 5.600 4.040 3.688 4.327 . 0 0 "[ . 1 . ]" 1
961 1 16 GLU HA 1 23 SER QB 4.500 . 6.000 4.034 3.663 5.262 . 0 0 "[ . 1 . ]" 1
962 1 4 CYS HA 1 23 SER QB 4.000 . 5.200 4.162 3.566 4.885 . 0 0 "[ . 1 . ]" 1
963 1 18 GLN HB3 1 23 SER HA 4.200 . 6.000 4.403 3.950 5.075 . 0 0 "[ . 1 . ]" 1
964 1 18 GLN HG2 1 23 SER HA 3.200 . 4.500 3.083 2.203 5.164 0.664 9 1 "[ . +1 . ]" 1
965 1 18 GLN HG3 1 23 SER HA 4.300 . 6.000 3.813 2.543 5.433 . 0 0 "[ . 1 . ]" 1
966 1 54 VAL QG 1 58 ARG QD 2.300 . 6.000 3.610 2.120 5.120 . 0 0 "[ . 1 . ]" 1
967 1 17 ILE HG12 1 26 LYS HA 4.500 . 6.000 4.544 4.068 5.234 . 0 0 "[ . 1 . ]" 1
968 1 6 ALA MB 1 28 CYS HA 4.300 . 6.000 3.981 3.567 5.218 . 0 0 "[ . 1 . ]" 1
969 1 31 CYS QB 1 36 LYS HB3 4.000 . 4.600 2.338 1.962 2.694 0.038 10 0 "[ . 1 . ]" 1
970 1 32 MET HB2 1 51 TYR QD 3.700 . 5.400 3.070 2.558 4.571 . 0 0 "[ . 1 . ]" 1
971 1 32 MET HB3 1 51 TYR HA 5.300 . 6.000 5.804 3.123 6.308 0.308 2 0 "[ . 1 . ]" 1
972 1 32 MET ME 1 51 TYR QE 4.800 . 6.000 5.803 5.077 6.015 0.015 7 0 "[ . 1 . ]" 1
973 1 32 MET HB3 1 32 MET ME 3.700 . 5.400 3.898 1.885 4.084 0.115 2 0 "[ . 1 . ]" 1
974 1 33 ALA HA 1 33 ALA MB 2.300 . 2.900 2.121 2.116 2.126 . 0 0 "[ . 1 . ]" 1
975 1 33 ALA MB 1 51 TYR HA 4.600 . 6.000 4.338 3.927 4.803 . 0 0 "[ . 1 . ]" 1
976 1 43 VAL HB 1 51 TYR HA 3.300 . 6.000 6.159 6.121 6.193 0.193 10 0 "[ . 1 . ]" 1
977 1 34 CYS HA 1 34 CYS HB3 2.700 . 3.600 2.453 2.418 2.535 . 0 0 "[ . 1 . ]" 1
978 1 36 LYS HA 1 36 LYS HB3 2.600 . 3.400 3.021 2.909 3.032 . 0 0 "[ . 1 . ]" 1
979 1 36 LYS QG 1 38 LEU MD1 3.800 . 5.600 3.421 2.856 3.839 . 0 0 "[ . 1 . ]" 1
980 1 36 LYS QG 1 38 LEU HG 4.300 . 6.000 5.447 4.854 5.857 . 0 0 "[ . 1 . ]" 1
981 1 38 LEU HG 1 50 ILE HG13 3.200 . 4.400 3.491 3.258 3.650 . 0 0 "[ . 1 . ]" 1
982 1 36 LYS HB2 1 38 LEU MD1 5.000 . 6.000 5.378 4.470 5.770 . 0 0 "[ . 1 . ]" 1
983 1 36 LYS HB3 1 38 LEU MD1 4.900 . 6.000 4.151 3.257 4.553 . 0 0 "[ . 1 . ]" 1
984 1 36 LYS HE3 1 38 LEU MD1 3.700 . 6.000 4.832 2.546 6.765 0.765 4 2 "[ +. 1 - . ]" 1
985 1 40 SER HB3 1 41 THR MG 4.100 . 6.000 4.957 3.050 6.517 0.517 5 1 "[ + 1 . ]" 1
986 1 40 SER HA 1 41 THR MG 4.300 . 6.000 5.351 4.581 6.065 0.065 3 0 "[ . 1 . ]" 1
987 1 42 THR HB 1 53 LYS QE 2.600 . 3.500 3.190 2.772 3.465 . 0 0 "[ . 1 . ]" 1
988 1 42 THR HB 1 42 THR MG 1.900 . 6.000 2.135 2.131 2.137 . 0 0 "[ . 1 . ]" 1
989 1 38 LEU MD1 1 43 VAL HB 3.100 . 4.300 2.878 2.601 3.178 . 0 0 "[ . 1 . ]" 1
990 1 43 VAL HA 1 43 VAL MG1 3.200 . 4.500 3.180 3.159 3.195 . 0 0 "[ . 1 . ]" 1
991 1 29 PHE QE 1 43 VAL HA 4.600 . 6.000 5.780 5.403 5.963 . 0 0 "[ . 1 . ]" 1
992 1 43 VAL MG2 1 52 CYS HA 4.300 . 6.000 4.618 4.311 4.930 . 0 0 "[ . 1 . ]" 1
993 1 19 CYS HA 1 43 VAL MG1 2.600 . 6.000 5.493 5.130 6.063 0.063 19 0 "[ . 1 . ]" 1
994 1 44 ALA MB 1 56 TYR HA 4.300 . 6.000 4.481 4.169 4.736 . 0 0 "[ . 1 . ]" 1
995 1 44 ALA MB 1 56 TYR HB3 3.100 . 4.300 3.142 2.642 3.533 . 0 0 "[ . 1 . ]" 1
996 1 44 ALA MB 1 56 TYR HB2 2.400 . 3.100 2.503 2.092 2.710 . 0 0 "[ . 1 . ]" 1
997 1 44 ALA MB 1 53 LYS HG3 3.700 . 5.400 3.427 2.587 4.045 . 0 0 "[ . 1 . ]" 1
998 1 44 ALA MB 1 53 LYS HG2 3.100 . 6.000 2.599 1.822 3.348 . 0 0 "[ . 1 . ]" 1
999 1 44 ALA MB 1 53 LYS HB3 3.800 . 6.000 4.373 3.888 4.994 . 0 0 "[ . 1 . ]" 1
1000 1 46 HIS QB 1 51 TYR QE 3.400 . 6.000 4.198 3.445 4.708 . 0 0 "[ . 1 . ]" 1
1001 1 47 GLU HB2 1 47 GLU HG2 2.700 . 3.600 2.667 2.372 3.013 . 0 0 "[ . 1 . ]" 1
1002 1 48 SER HA 1 50 ILE MG 4.400 . 6.000 4.942 4.033 5.676 . 0 0 "[ . 1 . ]" 1
1003 1 31 CYS HA 1 50 ILE MG 3.000 . 6.000 5.351 4.948 5.948 . 0 0 "[ . 1 . ]" 1
1004 1 31 CYS HA 1 50 ILE MD 4.600 . 6.000 4.332 3.966 4.587 . 0 0 "[ . 1 . ]" 1
1005 1 29 PHE HB3 1 50 ILE MD 2.900 . 6.000 4.764 4.508 5.279 . 0 0 "[ . 1 . ]" 1
1006 1 51 TYR HA 1 55 CYS HB2 3.800 . 5.600 4.570 4.170 4.713 . 0 0 "[ . 1 . ]" 1
1007 1 43 VAL MG2 1 51 TYR HA 5.100 . 6.000 4.333 4.152 4.522 . 0 0 "[ . 1 . ]" 1
1008 1 51 TYR HB2 1 56 TYR HA 3.700 . 5.400 3.776 3.433 4.084 . 0 0 "[ . 1 . ]" 1
1009 1 38 LEU MD2 1 52 CYS HA 4.500 . 6.000 2.426 2.047 3.062 . 0 0 "[ . 1 . ]" 1
1010 1 52 CYS HA 1 53 LYS HB3 4.400 . 6.000 5.829 5.752 5.931 . 0 0 "[ . 1 . ]" 1
1011 1 53 LYS HB3 1 53 LYS HG2 2.200 . 2.800 2.463 2.416 2.512 . 0 0 "[ . 1 . ]" 1
1012 1 53 LYS HD3 1 53 LYS HG2 2.100 . 2.600 2.426 2.348 2.494 . 0 0 "[ . 1 . ]" 1
1013 1 53 LYS HB3 1 53 LYS HG3 2.700 . 3.600 3.011 3.005 3.015 . 0 0 "[ . 1 . ]" 1
1014 1 55 CYS HA 1 55 CYS HB2 2.800 . 3.800 3.018 3.008 3.023 . 0 0 "[ . 1 . ]" 1
1015 1 53 LYS HA 1 56 TYR HB2 3.300 . 4.600 3.070 2.458 3.988 . 0 0 "[ . 1 . ]" 1
1016 1 1 GLY QA 1 10 THR MG 3.200 . 6.000 3.673 2.613 5.269 . 0 0 "[ . 1 . ]" 1
1017 1 1 GLY QA 1 2 ALA MB 4.500 . 6.000 3.805 3.567 4.194 . 0 0 "[ . 1 . ]" 1
1018 1 1 GLY QA 1 12 TYR QE 3.400 . 4.800 3.653 2.947 4.690 . 0 0 "[ . 1 . ]" 1
1019 1 1 GLY QA 1 12 TYR QD 3.600 . 5.200 3.246 2.233 5.011 . 0 0 "[ . 1 . ]" 1
1020 1 12 TYR HB2 1 13 HIS HD2 4.600 . 6.000 4.969 3.308 6.217 0.217 1 0 "[ . 1 . ]" 1
1021 1 29 PHE QD 1 50 ILE MG 3.500 . 6.000 4.481 4.028 4.903 . 0 0 "[ . 1 . ]" 1
1022 1 32 MET HG2 1 51 TYR QE 4.800 . 6.000 4.475 2.522 4.817 . 0 0 "[ . 1 . ]" 1
1023 1 32 MET HG3 1 51 TYR QD 5.100 . 6.000 4.801 4.071 5.143 . 0 0 "[ . 1 . ]" 1
1024 1 30 HIS HE1 1 37 ALA MB 4.100 . 6.000 5.457 3.515 6.015 0.015 13 0 "[ . 1 . ]" 1
1025 1 24 PHE HA 1 24 PHE QD 3.300 . 4.700 2.769 2.581 3.014 . 0 0 "[ . 1 . ]" 1
1026 1 24 PHE QD 1 50 ILE MD 3.800 . 5.600 3.907 3.350 4.468 . 0 0 "[ . 1 . ]" 1
1027 1 4 CYS HB2 1 25 HIS HD2 3.800 . 5.600 4.736 4.400 5.592 . 0 0 "[ . 1 . ]" 1
1028 1 10 THR MG 1 12 TYR QD 4.600 . 6.000 4.389 3.611 5.048 . 0 0 "[ . 1 . ]" 1
1029 1 10 THR MG 1 12 TYR QE 3.800 . 5.600 3.304 2.843 3.816 . 0 0 "[ . 1 . ]" 1
1030 1 10 THR HA 1 12 TYR QD 2.900 . 6.000 5.789 4.994 6.058 0.058 5 0 "[ . 1 . ]" 1
1031 1 10 THR HB 1 12 TYR QE 3.200 . 4.500 2.819 1.986 3.159 . 0 0 "[ . 1 . ]" 1
1032 1 11 VAL MG1 1 25 HIS HD2 3.600 . 5.200 2.955 2.425 3.685 . 0 0 "[ . 1 . ]" 1
1033 1 12 TYR HB3 1 12 TYR QD 2.600 . 3.400 2.460 2.288 2.725 . 0 0 "[ . 1 . ]" 1
1034 1 17 ILE HB 1 29 PHE QD 3.800 . 5.600 3.435 2.842 4.734 . 0 0 "[ . 1 . ]" 1
1035 1 25 HIS HA 1 25 HIS HD2 3.100 . 4.300 2.413 2.164 2.795 . 0 0 "[ . 1 . ]" 1
1036 1 25 HIS HB3 1 25 HIS HD2 3.000 . 4.100 3.219 3.003 3.383 . 0 0 "[ . 1 . ]" 1
1037 1 28 CYS HA 1 30 HIS HD2 4.800 . 6.000 4.901 4.213 5.610 . 0 0 "[ . 1 . ]" 1
1038 1 29 PHE HB2 1 29 PHE QD 2.700 . 3.600 2.566 2.476 2.642 . 0 0 "[ . 1 . ]" 1
1039 1 32 MET HB2 1 51 TYR QE 3.200 . 4.400 2.537 2.113 4.870 0.470 10 0 "[ . 1 . ]" 1
1040 1 32 MET ME 1 51 TYR QD 3.100 . 6.000 5.847 5.395 6.036 0.036 14 0 "[ . 1 . ]" 1
1041 1 29 PHE QE 1 38 LEU HB3 2.700 . 3.600 3.528 3.245 3.717 0.117 17 0 "[ . 1 . ]" 1
1042 1 29 PHE QD 1 38 LEU HB3 3.500 . 5.000 4.252 3.848 4.705 . 0 0 "[ . 1 . ]" 1
1043 1 29 PHE QE 1 38 LEU HG 4.300 . 6.000 5.359 5.176 5.532 . 0 0 "[ . 1 . ]" 1
1044 1 29 PHE QD 1 38 LEU HG 3.900 . 5.800 5.818 5.667 5.917 0.117 12 0 "[ . 1 . ]" 1
1045 1 44 ALA MB 1 56 TYR QE 3.600 . 5.300 3.433 3.005 3.847 . 0 0 "[ . 1 . ]" 1
1046 1 44 ALA MB 1 51 TYR QE 3.200 . 6.000 6.049 5.922 6.109 0.109 2 0 "[ . 1 . ]" 1
1047 1 45 ALA HA 1 56 TYR QE 2.900 . 6.000 4.709 3.992 5.497 . 0 0 "[ . 1 . ]" 1
1048 1 46 HIS HD2 1 47 GLU HG2 4.800 . 6.000 3.868 1.882 5.683 0.018 6 0 "[ . 1 . ]" 1
1049 1 49 GLU HA 1 51 TYR QE 2.800 . 6.000 4.317 3.640 5.225 . 0 0 "[ . 1 . ]" 1
1050 1 50 ILE HA 1 51 TYR QD 4.100 . 6.000 3.941 3.622 4.403 . 0 0 "[ . 1 . ]" 1
1051 1 24 PHE QE 1 50 ILE MG 4.100 . 6.000 2.793 2.463 3.304 . 0 0 "[ . 1 . ]" 1
1052 1 51 TYR HB2 1 51 TYR QE 4.100 . 6.000 4.389 4.354 4.410 . 0 0 "[ . 1 . ]" 1
1053 1 53 LYS HA 1 56 TYR QD 3.900 . 5.800 4.100 3.604 4.470 . 0 0 "[ . 1 . ]" 1
1054 1 56 TYR QD 1 57 GLY HA3 3.600 . 5.200 4.429 4.028 4.980 . 0 0 "[ . 1 . ]" 1
1055 1 60 TYR HB2 1 60 TYR QD 2.700 . 3.600 2.378 2.285 2.490 . 0 0 "[ . 1 . ]" 1
1056 1 60 TYR HB3 1 60 TYR QD 2.700 . 3.600 2.431 2.323 2.582 . 0 0 "[ . 1 . ]" 1
1057 1 56 TYR QE 1 60 TYR HB2 3.500 . 5.000 3.982 3.580 4.741 . 0 0 "[ . 1 . ]" 1
1058 1 24 PHE QD 1 32 MET ME 3.600 . 5.200 2.802 2.494 3.608 . 0 0 "[ . 1 . ]" 1
1059 1 12 TYR HB3 1 12 TYR QE 4.500 . 6.000 4.432 4.382 4.500 . 0 0 "[ . 1 . ]" 1
1060 1 24 PHE QD 1 29 PHE QE 4.400 . 6.000 4.193 3.238 4.824 . 0 0 "[ . 1 . ]" 1
1061 1 24 PHE QD 1 29 PHE QD 4.400 . 6.000 3.481 2.475 4.071 . 0 0 "[ . 1 . ]" 1
1062 1 24 PHE QE 1 29 PHE QD 4.300 . 6.000 5.063 3.969 5.851 . 0 0 "[ . 1 . ]" 1
1063 1 24 PHE QE 1 29 PHE QE 4.600 . 6.000 5.034 4.043 6.012 0.012 16 0 "[ . 1 . ]" 1
1064 1 29 PHE HZ 1 43 VAL HA 4.800 . 6.000 5.963 5.537 6.067 0.067 1 0 "[ . 1 . ]" 1
1065 1 27 THR HA 1 30 HIS HE1 3.700 . 5.400 3.804 2.571 5.163 . 0 0 "[ . 1 . ]" 1
1066 1 30 HIS HD2 1 35 ARG HA 3.800 . 5.600 2.874 1.969 5.175 0.031 13 0 "[ . 1 . ]" 1
1067 1 10 THR HB 1 25 HIS HE1 3.000 . 6.000 6.128 5.997 6.225 0.225 7 0 "[ . 1 . ]" 1
1068 1 51 TYR QE 1 60 TYR QE 2.800 . 6.000 4.287 3.113 5.491 . 0 0 "[ . 1 . ]" 1
1069 1 51 TYR QD 1 60 TYR QE 4.000 . 6.000 4.351 3.094 5.230 . 0 0 "[ . 1 . ]" 1
1070 1 56 TYR QD 1 60 TYR QD 3.400 . 6.000 3.538 3.273 3.779 . 0 0 "[ . 1 . ]" 1
1071 1 51 TYR QD 1 56 TYR QD 2.600 . 6.000 2.784 1.712 3.312 . 0 0 "[ . 1 . ]" 1
1072 1 56 TYR QE 1 60 TYR QD 3.400 . 6.000 3.807 3.381 4.261 . 0 0 "[ . 1 . ]" 1
1073 1 51 TYR QD 1 60 TYR QD 3.300 . 6.000 5.471 4.610 6.068 0.068 17 0 "[ . 1 . ]" 1
1074 1 46 HIS HD2 1 60 TYR QE 3.800 . 6.000 4.759 3.113 6.023 0.023 1 0 "[ . 1 . ]" 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 12
_Distance_constraint_stats_list.Viol_count 228
_Distance_constraint_stats_list.Viol_total 592.829
_Distance_constraint_stats_list.Viol_max 0.367
_Distance_constraint_stats_list.Viol_rms 0.0744
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1368
_Distance_constraint_stats_list.Viol_average_violations_only 0.1368
_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 4 CYS 8.964 0.367 3 0 "[ . 1 . ]"
1 7 CYS 8.917 0.274 10 0 "[ . 1 . ]"
1 25 HIS 14.155 0.367 3 0 "[ . 1 . ]"
1 28 CYS 8.091 0.281 14 0 "[ . 1 . ]"
1 31 CYS 5.874 0.175 10 0 "[ . 1 . ]"
1 34 CYS 5.558 0.175 10 0 "[ . 1 . ]"
1 52 CYS 5.006 0.157 6 0 "[ . 1 . ]"
1 55 CYS 5.838 0.161 19 0 "[ . 1 . ]"
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 4 CYS SG 1 7 CYS SG 3.880 3.830 3.930 3.705 3.672 3.732 0.158 10 0 "[ . 1 . ]" 2
2 1 4 CYS SG 1 25 HIS ND1 3.880 3.780 3.980 3.490 3.413 3.536 0.367 3 0 "[ . 1 . ]" 2
3 1 4 CYS SG 1 28 CYS SG 3.880 3.830 3.930 3.773 3.666 3.828 0.164 4 0 "[ . 1 . ]" 2
4 1 7 CYS SG 1 25 HIS ND1 3.880 3.780 3.980 3.565 3.506 3.612 0.274 10 0 "[ . 1 . ]" 2
5 1 7 CYS SG 1 28 CYS SG 3.880 3.830 3.930 3.701 3.643 3.788 0.187 6 0 "[ . 1 . ]" 2
6 1 25 HIS ND1 1 28 CYS SG 3.880 3.780 3.980 3.540 3.499 3.568 0.281 14 0 "[ . 1 . ]" 2
7 1 31 CYS SG 1 34 CYS SG 3.880 3.830 3.930 3.704 3.655 3.737 0.175 10 0 "[ . 1 . ]" 2
8 1 31 CYS SG 1 52 CYS SG 3.880 3.830 3.930 3.747 3.673 3.777 0.157 6 0 "[ . 1 . ]" 2
9 1 31 CYS SG 1 55 CYS SG 3.880 3.830 3.930 3.729 3.691 3.765 0.139 13 0 "[ . 1 . ]" 2
10 1 34 CYS SG 1 52 CYS SG 3.880 3.830 3.930 3.760 3.690 3.803 0.140 6 0 "[ . 1 . ]" 2
11 1 34 CYS SG 1 55 CYS SG 3.880 3.830 3.930 3.734 3.669 3.767 0.161 19 0 "[ . 1 . ]" 2
12 1 52 CYS SG 1 55 CYS SG 3.880 3.830 3.930 3.720 3.681 3.791 0.149 9 0 "[ . 1 . ]" 2
stop_
save_
Contact the webmaster for help, if required. Friday, May 17, 2024 4:08:42 AM GMT (wattos1)