NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
524525 |
2l4z   |
17265 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4z
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 104
_Distance_constraint_stats_list.Viol_count 109
_Distance_constraint_stats_list.Viol_total 398.906
_Distance_constraint_stats_list.Viol_max 0.883
_Distance_constraint_stats_list.Viol_rms 0.0619
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0096
_Distance_constraint_stats_list.Viol_average_violations_only 0.1830
_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 59 LEU 0.427 0.343 3 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 TRP 5.271 0.613 14 3 "[ . 1 +. -* 2]"
1 62 LYS 5.743 0.613 14 3 "[ . 1 +. -* 2]"
1 63 ARG 3.671 0.772 13 1 "[ . 1 + . 2]"
1 64 CYS 0.904 0.627 18 1 "[ . 1 . + 2]"
1 65 ALA 1.613 0.772 13 1 "[ . 1 + . 2]"
1 66 GLY 0.257 0.184 12 0 "[ . 1 . 2]"
1 67 CYS 0.862 0.627 18 1 "[ . 1 . + 2]"
1 68 GLY 1.613 0.772 13 1 "[ . 1 + . 2]"
1 69 GLY 2.474 0.772 13 2 "[ . 1 + . - 2]"
1 70 LYS 4.813 0.613 14 3 "[ . 1 +. -* 2]"
1 71 ILE 0.328 0.328 8 0 "[ . 1 . 2]"
1 72 ALA 3.603 0.613 14 3 "[ . 1 +. -* 2]"
1 73 ASP 0.457 0.323 5 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 2.100 0.587 16 1 "[ . 1 .+ 2]"
1 77 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 MET 5.251 0.711 15 3 "[ . - + *2]"
1 82 SER 0.376 0.376 8 0 "[ . 1 . 2]"
1 83 TYR 0.094 0.043 16 0 "[ . 1 . 2]"
1 84 TRP 3.855 0.711 15 3 "[ . - + *2]"
1 85 HIS 2.847 0.772 13 2 "[ . 1 + .- 2]"
1 86 SER 3.285 0.883 15 2 "[ . - + 2]"
1 87 ARG 4.433 0.883 15 3 "[ . * +- 2]"
1 88 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LEU 4.751 0.883 15 2 "[ . - + 2]"
1 90 LYS 0.476 0.323 5 0 "[ . 1 . 2]"
1 91 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.077 0.077 12 0 "[ . 1 . 2]"
1 93 SER 1.234 0.587 16 1 "[ . 1 .+ 2]"
1 95 GLN 0.507 0.323 5 0 "[ . 1 . 2]"
1 96 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LEU 0.348 0.328 8 0 "[ . 1 . 2]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.328 0.328 8 0 "[ . 1 . 2]"
1 105 SER 4.875 0.711 15 3 "[ . - + *2]"
1 106 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 THR 0.162 0.073 6 0 "[ . 1 . 2]"
1 108 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 GLY 1.442 0.376 8 0 "[ . 1 . 2]"
1 111 MET 0.077 0.077 12 0 "[ . 1 . 2]"
1 112 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 2.094 0.587 16 1 "[ . 1 .+ 2]"
1 114 CYS 1.234 0.587 16 1 "[ . 1 .+ 2]"
1 115 ARG 2.928 0.587 16 1 "[ . 1 .+ 2]"
1 117 ASP 0.758 0.323 5 0 "[ . 1 . 2]"
1 118 TYR 0.026 0.019 16 0 "[ . 1 . 2]"
1 119 ILE 0.301 0.167 5 0 "[ . 1 . 2]"
1 120 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 61 TRP HB3 1 61 TRP HZ3 6.000 . 6.000 5.546 4.994 5.911 . 0 0 "[ . 1 . 2]" 1
2 1 80 MET ME 1 105 SER HB2 3.100 . 4.500 4.381 3.591 4.809 0.309 15 0 "[ . 1 . 2]" 1
3 1 62 LYS HB2 1 63 ARG H 2.700 . 3.800 3.715 2.890 3.942 0.142 2 0 "[ . 1 . 2]" 1
4 1 61 TRP HH2 1 70 LYS HG2 6.000 . 6.000 3.300 2.544 4.406 . 0 0 "[ . 1 . 2]" 1
5 1 64 CYS H 1 69 GLY H 3.200 . 4.700 3.599 2.756 4.676 . 0 0 "[ . 1 . 2]" 1
6 1 64 CYS HB2 1 69 GLY H 2.900 . 4.200 3.724 1.568 4.827 0.627 18 1 "[ . 1 . + 2]" 1
7 1 64 CYS HB3 1 69 GLY H 3.600 . 5.500 3.698 2.759 4.909 . 0 0 "[ . 1 . 2]" 1
8 1 59 LEU MD2 1 71 ILE H 5.000 . 6.000 4.932 4.008 5.681 . 0 0 "[ . 1 . 2]" 1
9 1 89 LEU HB2 1 90 LYS H 3.400 . 5.000 4.161 3.423 4.554 . 0 0 "[ . 1 . 2]" 1
10 1 92 SER H 1 111 MET HB3 3.700 . 5.600 4.595 4.071 5.677 0.077 12 0 "[ . 1 . 2]" 1
11 1 92 SER H 1 112 ILE HB 3.400 . 5.000 3.612 2.895 4.505 . 0 0 "[ . 1 . 2]" 1
12 1 62 LYS QD 1 83 TYR QE 2.700 . 3.800 2.979 2.329 3.801 0.001 19 0 "[ . 1 . 2]" 1
13 1 71 ILE MD 1 78 TYR QD 4.300 . 6.000 4.916 3.268 5.723 . 0 0 "[ . 1 . 2]" 1
14 1 80 MET HB3 1 82 SER H 3.700 . 5.600 4.035 2.867 4.810 . 0 0 "[ . 1 . 2]" 1
15 1 80 MET QG 1 82 SER H 4.100 . 6.000 4.233 2.445 5.079 . 0 0 "[ . 1 . 2]" 1
16 1 80 MET HB2 1 82 SER H 3.800 . 5.800 3.515 2.861 4.704 . 0 0 "[ . 1 . 2]" 1
17 1 62 LYS QD 1 83 TYR QD 2.500 . 3.500 2.415 1.533 3.254 . 0 0 "[ . 1 . 2]" 1
18 1 61 TRP HB2 1 83 TYR QE 6.000 . 6.000 4.576 3.179 6.031 0.031 16 0 "[ . 1 . 2]" 1
19 1 64 CYS HA 1 85 HIS H 6.000 . 6.000 4.461 4.057 4.922 . 0 0 "[ . 1 . 2]" 1
20 1 71 ILE MG 1 86 SER H 3.200 . 4.700 3.418 2.795 4.521 . 0 0 "[ . 1 . 2]" 1
21 1 77 LEU QD 1 89 LEU H 3.400 . 5.000 3.911 3.172 4.502 . 0 0 "[ . 1 . 2]" 1
22 1 89 LEU H 1 90 LYS HG3 6.000 . 6.000 3.859 3.541 4.214 . 0 0 "[ . 1 . 2]" 1
23 1 84 TRP HZ2 1 89 LEU MD2 2.900 . 4.100 3.570 3.386 4.173 0.073 3 0 "[ . 1 . 2]" 1
24 1 85 HIS H 1 86 SER HA 4.500 . 6.000 4.570 4.454 4.793 . 0 0 "[ . 1 . 2]" 1
25 1 106 TYR QD 1 113 LEU H 3.700 . 5.600 5.002 4.402 5.549 . 0 0 "[ . 1 . 2]" 1
26 1 113 LEU HB2 1 114 CYS H 6.000 . 6.000 3.458 2.787 3.948 . 0 0 "[ . 1 . 2]" 1
27 1 98 LEU HG 1 114 CYS H 6.000 . 6.000 3.933 2.714 4.783 . 0 0 "[ . 1 . 2]" 1
28 1 113 LEU HB3 1 118 TYR QD 6.000 . 6.000 4.277 3.643 5.272 . 0 0 "[ . 1 . 2]" 1
29 1 118 TYR QE 1 119 ILE HG12 3.500 . 5.300 3.261 2.641 3.863 . 0 0 "[ . 1 . 2]" 1
30 1 107 THR MG 1 118 TYR QE 3.100 . 4.500 4.090 2.981 4.519 0.019 16 0 "[ . 1 . 2]" 1
31 1 120 ARG H 1 121 LEU HB3 3.800 . 5.800 4.746 4.343 5.351 . 0 0 "[ . 1 . 2]" 1
32 1 88 CYS H 1 89 LEU HG 5.900 . 6.000 5.007 4.456 5.444 . 0 0 "[ . 1 . 2]" 1
33 1 66 GLY HA3 1 68 GLY H 6.000 . 6.000 3.338 3.161 3.550 . 0 0 "[ . 1 . 2]" 1
34 1 100 ASP H 1 101 ILE HG12 3.500 . 5.300 3.870 2.816 4.497 . 0 0 "[ . 1 . 2]" 1
35 1 78 TYR HB3 1 84 TRP HD1 6.000 . 6.000 4.700 4.498 4.958 . 0 0 "[ . 1 . 2]" 1
36 1 76 LEU HB3 1 84 TRP HD1 3.900 . 6.000 4.096 3.789 4.354 . 0 0 "[ . 1 . 2]" 1
37 1 80 MET ME 1 84 TRP HD1 6.000 . 6.000 4.723 3.666 5.756 . 0 0 "[ . 1 . 2]" 1
38 1 61 TRP HZ3 1 70 LYS HD3 2.900 . 4.200 2.970 2.388 3.327 . 0 0 "[ . 1 . 2]" 1
39 1 61 TRP HZ3 1 71 ILE MG 3.700 . 5.600 4.803 3.823 5.440 . 0 0 "[ . 1 . 2]" 1
40 1 71 ILE MD 1 84 TRP HD1 3.800 . 5.800 4.594 3.915 4.952 . 0 0 "[ . 1 . 2]" 1
41 1 61 TRP HZ3 1 70 LYS HA 2.600 . 3.600 2.996 2.350 3.784 0.184 12 0 "[ . 1 . 2]" 1
42 1 60 SER HA 1 61 TRP HE3 3.400 . 5.000 4.053 3.644 4.550 . 0 0 "[ . 1 . 2]" 1
43 1 61 TRP HE3 1 70 LYS HG2 3.000 . 4.300 3.708 2.928 4.547 0.247 16 0 "[ . 1 . 2]" 1
44 1 59 LEU MD2 1 61 TRP HE3 4.400 . 6.000 5.479 3.606 6.343 0.343 3 0 "[ . 1 . 2]" 1
45 1 61 TRP HE1 1 62 LYS HB2 6.000 . 6.000 6.042 4.950 6.613 0.613 14 3 "[ . 1 +. -* 2]" 1
46 1 63 ARG HE 1 63 ARG HG2 2.900 . 4.100 2.711 2.147 3.393 . 0 0 "[ . 1 . 2]" 1
47 1 59 LEU HB3 1 61 TRP HZ2 3.400 . 5.000 4.211 3.136 5.019 0.019 4 0 "[ . 1 . 2]" 1
48 1 108 LYS HB3 1 122 PHE QE 4.200 . 6.000 3.841 3.008 4.620 . 0 0 "[ . 1 . 2]" 1
49 1 62 LYS HA 1 71 ILE MD 3.900 . 6.000 3.337 1.472 4.277 0.328 8 0 "[ . 1 . 2]" 1
50 1 71 ILE HG12 1 84 TRP HA 3.200 . 4.700 3.644 3.383 3.976 . 0 0 "[ . 1 . 2]" 1
51 1 59 LEU MD2 1 70 LYS QE 3.400 . 5.000 3.117 1.955 4.359 . 0 0 "[ . 1 . 2]" 1
52 1 91 CYS HA 1 98 LEU MD1 6.000 . 6.000 3.029 2.200 4.598 . 0 0 "[ . 1 . 2]" 1
53 1 71 ILE MD 1 76 LEU HG 6.000 . 6.000 3.720 2.350 4.861 . 0 0 "[ . 1 . 2]" 1
54 1 71 ILE MD 1 76 LEU HB3 6.000 . 6.000 2.552 1.699 3.113 . 0 0 "[ . 1 . 2]" 1
55 1 84 TRP HB3 1 89 LEU HB2 2.800 . 4.000 2.187 1.723 2.790 . 0 0 "[ . 1 . 2]" 1
56 1 95 GLN HA 1 98 LEU MD2 4.800 . 6.000 5.030 4.490 5.303 . 0 0 "[ . 1 . 2]" 1
57 1 63 ARG HA 1 71 ILE MD 3.000 . 4.300 2.893 1.900 3.583 . 0 0 "[ . 1 . 2]" 1
58 1 71 ILE MD 1 83 TYR HA 2.800 . 4.000 3.138 2.738 3.433 . 0 0 "[ . 1 . 2]" 1
59 1 85 HIS HA 1 89 LEU HB2 3.100 . 4.500 3.472 2.249 4.291 . 0 0 "[ . 1 . 2]" 1
60 1 71 ILE MD 1 76 LEU HA 3.300 . 4.900 3.924 3.200 4.765 . 0 0 "[ . 1 . 2]" 1
61 1 62 LYS QD 1 83 TYR HB2 6.000 . 6.000 3.592 2.041 4.300 . 0 0 "[ . 1 . 2]" 1
62 1 76 LEU QD 1 78 TYR HA 3.000 . 4.300 3.683 3.115 4.183 . 0 0 "[ . 1 . 2]" 1
63 1 76 LEU QD 1 78 TYR HA 6.000 . 6.000 3.758 3.146 4.283 . 0 0 "[ . 1 . 2]" 1
64 1 65 ALA MB 1 83 TYR HA 3.600 . 5.400 4.219 3.172 5.259 . 0 0 "[ . 1 . 2]" 1
65 1 78 TYR HA 1 89 LEU MD1 4.500 . 6.000 4.740 4.003 5.605 . 0 0 "[ . 1 . 2]" 1
66 1 76 LEU HB3 1 84 TRP HB3 6.000 . 6.000 4.228 3.424 5.543 . 0 0 "[ . 1 . 2]" 1
67 1 76 LEU HB3 1 85 HIS HB3 2.800 . 4.000 3.843 3.418 4.587 0.587 16 1 "[ . 1 .+ 2]" 1
68 1 89 LEU MD2 1 98 LEU HB3 6.000 . 6.000 4.010 3.235 5.130 . 0 0 "[ . 1 . 2]" 1
69 1 89 LEU MD1 1 98 LEU HB3 6.000 . 6.000 3.648 2.245 5.010 . 0 0 "[ . 1 . 2]" 1
70 1 82 SER HB2 1 89 LEU MD1 6.000 . 6.000 4.936 4.095 5.560 . 0 0 "[ . 1 . 2]" 1
71 1 71 ILE MG 1 85 HIS HA 3.100 . 4.500 2.518 1.864 3.560 . 0 0 "[ . 1 . 2]" 1
72 1 90 LYS HG3 1 95 GLN HA 3.600 . 5.400 4.072 3.200 4.826 . 0 0 "[ . 1 . 2]" 1
73 1 80 MET ME 1 106 TYR HA 6.000 . 6.000 4.558 3.428 5.246 . 0 0 "[ . 1 . 2]" 1
74 1 93 SER HA 1 113 LEU MD1 3.200 . 4.700 3.471 2.920 3.939 . 0 0 "[ . 1 . 2]" 1
75 1 106 TYR HA 1 112 ILE MG 4.600 . 6.000 4.824 4.450 5.515 . 0 0 "[ . 1 . 2]" 1
76 1 73 ASP HB3 1 89 LEU HG 6.000 . 6.000 4.640 3.176 5.882 . 0 0 "[ . 1 . 2]" 1
77 1 73 ASP HB3 1 76 LEU HG 3.000 . 4.300 3.826 2.940 4.623 0.323 5 0 "[ . 1 . 2]" 1
78 1 61 TRP HZ3 1 76 LEU QD 3.500 . 5.200 4.788 4.285 5.200 . 0 0 "[ . 1 . 2]" 1
79 1 63 ARG HE 1 65 ALA HA 3.200 . 4.600 4.080 2.868 5.372 0.772 13 1 "[ . 1 + . 2]" 1
80 1 71 ILE HA 1 85 HIS HE1 4.200 . 6.000 4.342 3.170 5.013 . 0 0 "[ . 1 . 2]" 1
81 1 63 ARG HE 1 69 GLY H 3.900 . 6.000 4.645 3.393 5.691 . 0 0 "[ . 1 . 2]" 1
82 1 86 SER HA 1 89 LEU MD2 3.900 . 6.000 5.675 5.209 6.073 0.073 6 0 "[ . 1 . 2]" 1
83 1 92 SER H 1 93 SER HA 6.000 . 6.000 4.522 4.290 4.823 . 0 0 "[ . 1 . 2]" 1
84 1 86 SER H 1 87 ARG HG3 3.600 . 5.400 5.381 4.432 6.283 0.883 15 2 "[ . - + 2]" 1
85 1 87 ARG HA 1 87 ARG HE 3.400 . 5.000 3.637 2.399 4.760 . 0 0 "[ . 1 . 2]" 1
86 1 64 CYS HA 1 83 TYR HA 3.000 . 4.400 3.810 3.363 4.443 0.043 16 0 "[ . 1 . 2]" 1
87 1 93 SER HB3 1 113 LEU HA 6.000 . 6.000 5.112 4.455 5.483 . 0 0 "[ . 1 . 2]" 1
88 1 89 LEU HG 1 90 LYS H 3.300 . 4.800 3.998 2.980 4.673 . 0 0 "[ . 1 . 2]" 1
89 1 61 TRP HZ3 1 70 LYS HG2 3.300 . 4.800 2.584 1.976 3.582 . 0 0 "[ . 1 . 2]" 1
90 1 101 ILE HG13 1 102 GLY H 4.500 . 6.000 4.382 3.082 4.825 . 0 0 "[ . 1 . 2]" 1
91 1 107 THR MG 1 111 MET H 6.000 . 6.000 3.846 3.559 4.129 . 0 0 "[ . 1 . 2]" 1
92 1 113 LEU HB3 1 117 ASP H 3.000 . 4.300 4.157 3.788 4.467 0.167 5 0 "[ . 1 . 2]" 1
93 1 115 ARG HB3 1 118 TYR H 4.300 . 6.000 4.833 4.519 5.051 . 0 0 "[ . 1 . 2]" 1
94 1 106 TYR QD 1 118 TYR H 3.500 . 5.300 3.882 3.596 4.007 . 0 0 "[ . 1 . 2]" 1
95 1 61 TRP H 1 62 LYS HB2 6.000 . 6.000 5.728 4.491 6.304 0.304 12 0 "[ . 1 . 2]" 1
96 1 63 ARG HE 1 70 LYS H 6.000 . 6.000 4.631 2.305 5.585 . 0 0 "[ . 1 . 2]" 1
97 1 87 ARG HG3 1 88 CYS H 6.000 . 6.000 4.211 2.435 5.027 . 0 0 "[ . 1 . 2]" 1
98 1 80 MET ME 1 84 TRP HB3 6.000 . 6.000 6.120 5.687 6.711 0.711 15 3 "[ . - + *2]" 1
99 1 80 MET ME 1 82 SER HB2 6.000 . 6.000 4.607 3.633 6.376 0.376 8 0 "[ . 1 . 2]" 1
100 1 63 ARG HB3 1 71 ILE MG 6.000 . 6.000 5.243 5.056 5.545 . 0 0 "[ . 1 . 2]" 1
101 1 76 LEU QD 1 83 TYR HA 6.000 . 6.000 3.754 3.135 4.287 . 0 0 "[ . 1 . 2]" 1
102 1 93 SER HB2 1 113 LEU QD 6.000 . 6.000 3.652 2.068 4.087 . 0 0 "[ . 1 . 2]" 1
103 1 91 CYS HA 1 113 LEU QD 6.000 . 6.000 4.099 2.752 4.958 . 0 0 "[ . 1 . 2]" 1
104 1 80 MET ME 1 105 SER HB3 6.000 . 6.000 5.519 4.001 6.231 0.231 17 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 723
_Distance_constraint_stats_list.Viol_count 769
_Distance_constraint_stats_list.Viol_total 1634.519
_Distance_constraint_stats_list.Viol_max 0.886
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0057
_Distance_constraint_stats_list.Viol_average_violations_only 0.1063
_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 59 LEU 0.698 0.301 16 0 "[ . 1 . 2]"
1 60 SER 1.673 0.116 11 0 "[ . 1 . 2]"
1 61 TRP 5.763 0.705 11 2 "[ . -+ . 2]"
1 62 LYS 6.661 0.717 16 6 "[* . -* *+ *]"
1 63 ARG 1.280 0.713 5 1 "[ + 1 . 2]"
1 64 CYS 5.009 0.713 5 3 "[ +- 1 . * 2]"
1 65 ALA 0.222 0.064 16 0 "[ . 1 . 2]"
1 66 GLY 0.011 0.010 1 0 "[ . 1 . 2]"
1 67 CYS 0.068 0.037 8 0 "[ . 1 . 2]"
1 68 GLY 0.085 0.085 5 0 "[ . 1 . 2]"
1 69 GLY 0.275 0.253 14 0 "[ . 1 . 2]"
1 70 LYS 4.485 0.802 5 4 "[ + - * * 2]"
1 71 ILE 0.193 0.127 16 0 "[ . 1 . 2]"
1 72 ALA 1.016 0.119 18 0 "[ . 1 . 2]"
1 73 ASP 5.971 0.329 9 0 "[ . 1 . 2]"
1 74 ARG 2.038 0.442 1 0 "[ . 1 . 2]"
1 75 PHE 2.086 0.442 1 0 "[ . 1 . 2]"
1 76 LEU 1.762 0.464 19 0 "[ . 1 . 2]"
1 77 LEU 1.941 0.464 19 0 "[ . 1 . 2]"
1 78 TYR 3.074 0.117 5 0 "[ . 1 . 2]"
1 79 ALA 0.505 0.109 16 0 "[ . 1 . 2]"
1 80 MET 1.099 0.867 7 1 "[ . + 1 . 2]"
1 81 ASP 1.005 0.089 15 0 "[ . 1 . 2]"
1 82 SER 2.193 0.117 5 0 "[ . 1 . 2]"
1 83 TYR 1.304 0.202 5 0 "[ . 1 . 2]"
1 84 TRP 4.418 0.867 7 2 "[ - . + 1 . 2]"
1 85 HIS 5.986 0.521 18 2 "[ .- 1 . + 2]"
1 86 SER 0.093 0.068 17 0 "[ . 1 . 2]"
1 87 ARG 2.924 0.454 8 0 "[ . 1 . 2]"
1 88 CYS 0.209 0.047 3 0 "[ . 1 . 2]"
1 89 LEU 1.282 0.712 3 1 "[ + . 1 . 2]"
1 90 LYS 1.630 0.188 4 0 "[ . 1 . 2]"
1 91 CYS 4.038 0.556 16 1 "[ . 1 .+ 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 CYS 0.167 0.062 1 0 "[ . 1 . 2]"
1 95 GLN 1.114 0.093 19 0 "[ . 1 . 2]"
1 96 ALA 3.921 0.556 16 1 "[ . 1 .+ 2]"
1 97 GLN 1.137 0.148 13 0 "[ . 1 . 2]"
1 98 LEU 1.277 0.188 4 0 "[ . 1 . 2]"
1 99 GLY 0.521 0.075 8 0 "[ . 1 . 2]"
1 100 ASP 3.864 0.400 10 0 "[ . 1 . 2]"
1 101 ILE 3.885 0.400 10 0 "[ . 1 . 2]"
1 102 GLY 1.963 0.224 18 0 "[ . 1 . 2]"
1 103 THR 0.296 0.087 13 0 "[ . 1 . 2]"
1 104 SER 0.293 0.087 13 0 "[ . 1 . 2]"
1 105 SER 0.501 0.257 9 0 "[ . 1 . 2]"
1 106 TYR 1.974 0.424 5 0 "[ . 1 . 2]"
1 107 THR 0.671 0.093 14 0 "[ . 1 . 2]"
1 108 LYS 1.465 0.297 14 0 "[ . 1 . 2]"
1 109 SER 2.115 0.638 11 1 "[ . 1+ . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 MET 1.854 0.366 16 0 "[ . 1 . 2]"
1 112 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 0.423 0.186 12 0 "[ . 1 . 2]"
1 114 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ARG 2.101 0.424 5 0 "[ . 1 . 2]"
1 116 ASN 3.274 0.509 16 1 "[ . 1 .+ 2]"
1 117 ASP 4.227 0.509 16 1 "[ . 1 .+ 2]"
1 118 TYR 12.308 0.886 5 9 "[** *+ 1** .- * *]"
1 119 ILE 0.848 0.207 8 0 "[ . 1 . 2]"
1 120 ARG 3.371 0.310 5 0 "[ . 1 . 2]"
1 121 LEU 11.998 0.886 5 9 "[** *+ 1** .- * *]"
1 122 PHE 3.319 0.638 11 1 "[ . 1+ . 2]"
1 123 GLY 0.585 0.173 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 79 ALA HA 1 80 MET H 2.600 . 3.600 3.280 2.098 3.548 . 0 0 "[ . 1 . 2]" 2
2 1 79 ALA MB 1 80 MET H 3.100 . 4.500 2.121 1.683 3.189 0.017 8 0 "[ . 1 . 2]" 2
3 1 61 TRP H 1 61 TRP HB3 2.900 . 4.100 3.909 3.619 4.132 0.032 11 0 "[ . 1 . 2]" 2
4 1 61 TRP H 1 61 TRP HB2 2.900 . 4.100 3.725 3.398 3.914 . 0 0 "[ . 1 . 2]" 2
5 1 61 TRP H 1 61 TRP HA 2.800 . 4.000 2.300 2.261 2.938 . 0 0 "[ . 1 . 2]" 2
6 1 61 TRP H 1 61 TRP HD1 3.300 . 4.900 3.122 2.842 4.719 . 0 0 "[ . 1 . 2]" 2
7 1 61 TRP HA 1 61 TRP HD1 3.200 . 4.700 2.887 2.586 4.570 . 0 0 "[ . 1 . 2]" 2
8 1 61 TRP HB2 1 61 TRP HD1 2.900 . 4.100 3.825 2.564 3.908 . 0 0 "[ . 1 . 2]" 2
9 1 61 TRP HB3 1 61 TRP HD1 2.600 . 3.700 3.054 2.875 3.536 . 0 0 "[ . 1 . 2]" 2
10 1 61 TRP HB2 1 61 TRP HE3 3.100 . 4.500 2.484 2.365 4.166 . 0 0 "[ . 1 . 2]" 2
11 1 61 TRP HB3 1 61 TRP HE3 3.000 . 4.300 3.709 3.036 3.903 . 0 0 "[ . 1 . 2]" 2
12 1 61 TRP H 1 61 TRP HE1 4.200 . 6.000 4.667 4.189 5.786 . 0 0 "[ . 1 . 2]" 2
13 1 61 TRP HB2 1 61 TRP HZ3 6.000 . 6.000 4.895 4.787 6.405 0.405 11 0 "[ . 1 . 2]" 2
14 1 75 PHE H 1 75 PHE HB3 3.000 . 4.300 3.465 3.412 3.531 . 0 0 "[ . 1 . 2]" 2
15 1 75 PHE H 1 75 PHE HA 3.000 . 4.300 2.928 2.910 2.938 . 0 0 "[ . 1 . 2]" 2
16 1 75 PHE HA 1 75 PHE QE 3.500 . 5.200 4.310 4.182 4.405 . 0 0 "[ . 1 . 2]" 2
17 1 75 PHE HA 1 75 PHE QD 2.700 . 3.800 2.630 2.194 2.857 . 0 0 "[ . 1 . 2]" 2
18 1 75 PHE HB3 1 75 PHE QD 3.000 . 4.300 2.279 2.262 2.358 . 0 0 "[ . 1 . 2]" 2
19 1 75 PHE HB2 1 75 PHE QD 2.500 . 3.500 2.677 2.591 2.755 . 0 0 "[ . 1 . 2]" 2
20 1 75 PHE H 1 75 PHE QD 2.900 . 4.100 3.035 2.865 3.248 . 0 0 "[ . 1 . 2]" 2
21 1 75 PHE H 1 75 PHE QE 6.000 . 6.000 5.311 5.168 5.503 . 0 0 "[ . 1 . 2]" 2
22 1 84 TRP H 1 84 TRP HA 2.300 . 3.200 2.945 2.934 2.952 . 0 0 "[ . 1 . 2]" 2
23 1 84 TRP H 1 84 TRP HB3 3.500 . 5.200 3.843 3.768 3.913 . 0 0 "[ . 1 . 2]" 2
24 1 84 TRP H 1 84 TRP HD1 2.800 . 4.000 2.533 2.220 2.962 . 0 0 "[ . 1 . 2]" 2
25 1 122 PHE H 1 122 PHE HB2 2.800 . 4.000 2.588 2.466 2.769 . 0 0 "[ . 1 . 2]" 2
26 1 122 PHE HA 1 122 PHE QE 6.000 . 6.000 4.662 4.549 4.838 . 0 0 "[ . 1 . 2]" 2
27 1 122 PHE HA 1 122 PHE QD 2.300 . 3.200 2.891 2.731 3.121 . 0 0 "[ . 1 . 2]" 2
28 1 122 PHE HB2 1 122 PHE QD 2.500 . 3.500 2.362 2.306 2.458 . 0 0 "[ . 1 . 2]" 2
29 1 122 PHE H 1 122 PHE QE 4.100 . 6.000 4.756 4.310 5.013 . 0 0 "[ . 1 . 2]" 2
30 1 60 SER H 1 60 SER HA 2.600 . 3.700 2.908 2.887 2.933 . 0 0 "[ . 1 . 2]" 2
31 1 59 LEU HA 1 60 SER H 6.000 . 6.000 2.953 2.205 3.353 . 0 0 "[ . 1 . 2]" 2
32 1 60 SER QB 1 61 TRP H 2.900 . 4.100 3.107 2.608 3.641 . 0 0 "[ . 1 . 2]" 2
33 1 60 SER HA 1 61 TRP H 2.500 . 3.500 3.444 3.237 3.520 0.020 19 0 "[ . 1 . 2]" 2
34 1 61 TRP HA 1 61 TRP HB2 2.800 . 4.000 2.988 2.815 3.015 . 0 0 "[ . 1 . 2]" 2
35 1 61 TRP HB3 1 62 LYS H 3.100 . 4.500 2.552 1.999 3.158 . 0 0 "[ . 1 . 2]" 2
36 1 61 TRP HB2 1 62 LYS H 2.500 . 3.500 1.699 1.397 4.205 0.705 11 1 "[ . 1+ . 2]" 2
37 1 61 TRP HA 1 62 LYS H 2.400 . 3.300 3.272 2.109 3.473 0.173 14 0 "[ . 1 . 2]" 2
38 1 62 LYS H 1 62 LYS QE 4.000 . 6.000 5.170 4.249 5.865 . 0 0 "[ . 1 . 2]" 2
39 1 62 LYS H 1 62 LYS HB3 2.700 . 3.800 3.458 3.132 3.820 0.020 16 0 "[ . 1 . 2]" 2
40 1 62 LYS H 1 62 LYS QD 6.000 . 6.000 3.751 2.710 4.448 . 0 0 "[ . 1 . 2]" 2
41 1 62 LYS H 1 62 LYS HG3 3.200 . 4.700 4.423 3.473 4.842 0.142 7 0 "[ . 1 . 2]" 2
42 1 63 ARG HG3 1 64 CYS H 6.000 . 6.000 3.646 2.077 5.475 . 0 0 "[ . 1 . 2]" 2
43 1 63 ARG QB 1 64 CYS H 6.000 . 6.000 3.477 3.028 3.773 . 0 0 "[ . 1 . 2]" 2
44 1 63 ARG HD2 1 64 CYS H 6.000 . 6.000 3.822 2.350 6.713 0.713 5 1 "[ + 1 . 2]" 2
45 1 64 CYS H 1 64 CYS HB2 2.600 . 3.700 3.184 2.256 3.680 . 0 0 "[ . 1 . 2]" 2
46 1 64 CYS HA 1 64 CYS HB3 2.300 . 3.200 2.674 2.269 3.028 . 0 0 "[ . 1 . 2]" 2
47 1 65 ALA H 1 65 ALA MB 2.500 . 3.500 2.277 2.075 2.482 . 0 0 "[ . 1 . 2]" 2
48 1 64 CYS HA 1 65 ALA H 3.000 . 4.300 2.300 2.210 2.387 . 0 0 "[ . 1 . 2]" 2
49 1 65 ALA HA 1 65 ALA MB 2.300 . 3.200 2.106 2.076 2.130 . 0 0 "[ . 1 . 2]" 2
50 1 65 ALA HA 1 66 GLY H 3.200 . 4.700 3.414 3.076 3.590 . 0 0 "[ . 1 . 2]" 2
51 1 65 ALA MB 1 66 GLY H 3.000 . 4.300 2.918 2.310 3.502 . 0 0 "[ . 1 . 2]" 2
52 1 66 GLY H 1 66 GLY HA3 2.800 . 4.000 2.344 2.291 2.441 . 0 0 "[ . 1 . 2]" 2
53 1 66 GLY H 1 66 GLY HA2 2.600 . 3.700 2.892 2.809 2.954 . 0 0 "[ . 1 . 2]" 2
54 1 65 ALA H 1 66 GLY H 3.100 . 4.500 2.324 1.806 2.675 . 0 0 "[ . 1 . 2]" 2
55 1 66 GLY HA3 1 67 CYS H 6.000 . 6.000 2.542 2.242 2.828 . 0 0 "[ . 1 . 2]" 2
56 1 67 CYS HA 1 67 CYS HB2 2.300 . 3.200 2.781 2.323 3.006 . 0 0 "[ . 1 . 2]" 2
57 1 67 CYS HA 1 67 CYS HB3 2.300 . 3.200 2.339 2.273 2.557 . 0 0 "[ . 1 . 2]" 2
58 1 94 CYS H 1 94 CYS HA 3.000 . 4.300 2.935 2.887 2.950 . 0 0 "[ . 1 . 2]" 2
59 1 94 CYS HA 1 94 CYS HB3 2.200 . 3.000 2.470 2.267 2.556 . 0 0 "[ . 1 . 2]" 2
60 1 66 GLY H 1 67 CYS H 3.300 . 4.900 2.752 2.145 3.228 . 0 0 "[ . 1 . 2]" 2
61 1 67 CYS HA 1 68 GLY H 3.300 . 4.900 3.511 3.397 3.561 . 0 0 "[ . 1 . 2]" 2
62 1 67 CYS HB2 1 68 GLY H 6.000 . 6.000 2.814 1.530 4.047 . 0 0 "[ . 1 . 2]" 2
63 1 67 CYS HB3 1 68 GLY H 6.000 . 6.000 3.837 2.944 4.372 . 0 0 "[ . 1 . 2]" 2
64 1 68 GLY HA2 1 69 GLY H 3.200 . 4.700 3.003 2.377 3.560 . 0 0 "[ . 1 . 2]" 2
65 1 69 GLY H 1 69 GLY HA2 2.500 . 3.500 2.880 2.314 2.957 . 0 0 "[ . 1 . 2]" 2
66 1 68 GLY HA3 1 69 GLY H 6.000 . 6.000 3.363 2.466 3.557 . 0 0 "[ . 1 . 2]" 2
67 1 68 GLY H 1 69 GLY H 2.600 . 3.700 2.352 1.939 2.991 . 0 0 "[ . 1 . 2]" 2
68 1 69 GLY H 1 70 LYS H 3.200 . 4.700 3.698 1.956 4.440 . 0 0 "[ . 1 . 2]" 2
69 1 70 LYS H 1 70 LYS HG3 3.400 . 5.000 3.106 1.991 4.038 . 0 0 "[ . 1 . 2]" 2
70 1 70 LYS H 1 70 LYS QD 6.000 . 6.000 3.766 2.426 4.823 . 0 0 "[ . 1 . 2]" 2
71 1 70 LYS H 1 70 LYS QB 2.600 . 3.600 2.924 2.343 3.422 . 0 0 "[ . 1 . 2]" 2
72 1 70 LYS H 1 70 LYS HE3 6.000 . 6.000 5.460 4.688 6.565 0.565 7 1 "[ . + 1 . 2]" 2
73 1 70 LYS QD 1 71 ILE H 6.000 . 6.000 5.188 4.254 5.730 . 0 0 "[ . 1 . 2]" 2
74 1 70 LYS HG3 1 71 ILE H 6.000 . 6.000 4.785 3.869 5.381 . 0 0 "[ . 1 . 2]" 2
75 1 70 LYS HA 1 71 ILE H 2.200 . 3.000 2.220 2.156 2.340 . 0 0 "[ . 1 . 2]" 2
76 1 71 ILE HA 1 72 ALA H 3.600 . 5.400 2.132 2.108 2.150 . 0 0 "[ . 1 . 2]" 2
77 1 72 ALA HA 1 72 ALA MB 2.100 . 2.800 2.099 2.084 2.131 . 0 0 "[ . 1 . 2]" 2
78 1 72 ALA HA 1 73 ASP H 2.200 . 3.000 3.039 2.869 3.119 0.119 18 0 "[ . 1 . 2]" 2
79 1 72 ALA MB 1 73 ASP H 3.100 . 4.500 3.507 3.422 3.646 . 0 0 "[ . 1 . 2]" 2
80 1 73 ASP H 1 73 ASP HA 2.800 . 4.000 2.889 2.831 2.928 . 0 0 "[ . 1 . 2]" 2
81 1 73 ASP H 1 73 ASP HB2 2.900 . 4.200 2.253 2.099 2.462 . 0 0 "[ . 1 . 2]" 2
82 1 73 ASP H 1 73 ASP HB3 2.800 . 4.000 3.200 2.626 3.584 . 0 0 "[ . 1 . 2]" 2
83 1 73 ASP HA 1 73 ASP HB2 2.500 . 3.500 2.833 2.538 3.020 . 0 0 "[ . 1 . 2]" 2
84 1 72 ALA H 1 73 ASP H 3.200 . 4.700 2.391 2.112 2.760 . 0 0 "[ . 1 . 2]" 2
85 1 73 ASP HB2 1 74 ARG H 3.000 . 4.300 3.398 1.905 4.105 . 0 0 "[ . 1 . 2]" 2
86 1 73 ASP HB3 1 74 ARG H 6.000 . 6.000 2.584 1.457 4.139 . 0 0 "[ . 1 . 2]" 2
87 1 73 ASP HA 1 74 ARG H 6.000 . 6.000 2.943 2.392 3.526 . 0 0 "[ . 1 . 2]" 2
88 1 74 ARG H 1 74 ARG HA 2.700 . 3.800 2.780 2.248 2.930 . 0 0 "[ . 1 . 2]" 2
89 1 73 ASP H 1 74 ARG H 3.800 . 5.800 3.826 2.528 4.627 . 0 0 "[ . 1 . 2]" 2
90 1 74 ARG HA 1 75 PHE H 6.000 . 6.000 3.562 3.546 3.580 . 0 0 "[ . 1 . 2]" 2
91 1 74 ARG H 1 75 PHE H 3.000 . 4.300 2.760 2.271 3.752 . 0 0 "[ . 1 . 2]" 2
92 1 75 PHE HA 1 75 PHE HB3 2.700 . 3.800 2.715 2.673 2.766 . 0 0 "[ . 1 . 2]" 2
93 1 75 PHE HA 1 75 PHE HB2 2.700 . 3.800 2.952 2.919 2.980 . 0 0 "[ . 1 . 2]" 2
94 1 75 PHE HB3 1 76 LEU H 6.000 . 6.000 3.300 2.875 3.536 . 0 0 "[ . 1 . 2]" 2
95 1 75 PHE HB2 1 76 LEU H 6.000 . 6.000 4.353 4.135 4.472 . 0 0 "[ . 1 . 2]" 2
96 1 75 PHE HA 1 76 LEU H 2.500 . 3.500 2.166 2.112 2.300 . 0 0 "[ . 1 . 2]" 2
97 1 75 PHE H 1 76 LEU H 6.000 . 6.000 4.460 4.377 4.564 . 0 0 "[ . 1 . 2]" 2
98 1 76 LEU H 1 76 LEU HB2 3.600 . 5.500 3.188 2.194 3.713 . 0 0 "[ . 1 . 2]" 2
99 1 76 LEU HA 1 76 LEU HG 3.400 . 5.000 3.267 2.147 3.645 . 0 0 "[ . 1 . 2]" 2
100 1 76 LEU HB2 1 77 LEU H 2.800 . 3.900 3.182 2.562 4.364 0.464 19 0 "[ . 1 . 2]" 2
101 1 76 LEU HB3 1 77 LEU H 6.000 . 6.000 3.437 2.621 3.994 . 0 0 "[ . 1 . 2]" 2
102 1 76 LEU HG 1 77 LEU H 6.000 . 6.000 4.462 3.696 5.096 . 0 0 "[ . 1 . 2]" 2
103 1 76 LEU HA 1 77 LEU H 6.000 . 6.000 2.258 2.147 2.352 . 0 0 "[ . 1 . 2]" 2
104 1 77 LEU HA 1 77 LEU HB3 2.900 . 4.100 2.455 2.213 2.648 . 0 0 "[ . 1 . 2]" 2
105 1 78 TYR H 1 78 TYR HB3 2.800 . 4.000 3.302 3.073 3.431 . 0 0 "[ . 1 . 2]" 2
106 1 78 TYR H 1 78 TYR HB2 3.000 . 4.300 2.267 2.138 2.414 . 0 0 "[ . 1 . 2]" 2
107 1 77 LEU HB2 1 78 TYR H 3.400 . 5.000 3.759 2.539 4.318 . 0 0 "[ . 1 . 2]" 2
108 1 77 LEU HB3 1 78 TYR H 6.000 . 6.000 2.881 2.370 3.363 . 0 0 "[ . 1 . 2]" 2
109 1 77 LEU HA 1 78 TYR H 2.600 . 3.600 2.250 2.116 2.471 . 0 0 "[ . 1 . 2]" 2
110 1 78 TYR HB3 1 78 TYR QD 2.900 . 4.100 2.695 2.560 2.761 . 0 0 "[ . 1 . 2]" 2
111 1 78 TYR HB2 1 78 TYR QD 2.900 . 4.200 2.310 2.257 2.492 . 0 0 "[ . 1 . 2]" 2
112 1 78 TYR H 1 79 ALA H 6.000 . 6.000 4.397 4.081 4.557 . 0 0 "[ . 1 . 2]" 2
113 1 78 TYR HA 1 79 ALA H 2.400 . 3.300 2.210 2.128 2.262 . 0 0 "[ . 1 . 2]" 2
114 1 78 TYR HB2 1 79 ALA H 6.000 . 6.000 4.375 4.181 4.643 . 0 0 "[ . 1 . 2]" 2
115 1 78 TYR HB3 1 79 ALA H 6.000 . 6.000 3.412 2.993 4.057 . 0 0 "[ . 1 . 2]" 2
116 1 79 ALA HA 1 79 ALA MB 2.100 . 2.900 2.117 2.084 2.129 . 0 0 "[ . 1 . 2]" 2
117 1 80 MET HA 1 80 MET HB2 3.000 . 4.400 2.844 2.423 3.024 . 0 0 "[ . 1 . 2]" 2
118 1 80 MET HA 1 80 MET QG 2.800 . 4.000 2.485 2.008 3.359 . 0 0 "[ . 1 . 2]" 2
119 1 80 MET H 1 80 MET HA 2.500 . 3.500 2.788 2.254 2.932 . 0 0 "[ . 1 . 2]" 2
120 1 80 MET H 1 80 MET QG 3.200 . 4.700 3.132 1.677 3.958 0.023 4 0 "[ . 1 . 2]" 2
121 1 80 MET HA 1 80 MET HB3 2.700 . 3.800 2.618 2.324 2.997 . 0 0 "[ . 1 . 2]" 2
122 1 80 MET H 1 80 MET HB3 3.400 . 5.000 3.446 2.861 4.152 . 0 0 "[ . 1 . 2]" 2
123 1 80 MET H 1 81 ASP H 3.200 . 4.700 2.996 1.795 3.850 . 0 0 "[ . 1 . 2]" 2
124 1 82 SER HA 1 83 TYR H 6.000 . 6.000 2.456 2.365 2.507 . 0 0 "[ . 1 . 2]" 2
125 1 82 SER HB2 1 83 TYR H 6.000 . 6.000 2.820 2.589 3.748 . 0 0 "[ . 1 . 2]" 2
126 1 82 SER HB3 1 83 TYR H 6.000 . 6.000 2.918 2.324 3.174 . 0 0 "[ . 1 . 2]" 2
127 1 83 TYR HA 1 83 TYR HB2 2.700 . 3.800 2.983 2.656 3.030 . 0 0 "[ . 1 . 2]" 2
128 1 83 TYR HB3 1 83 TYR QD 2.400 . 3.300 2.536 2.276 2.765 . 0 0 "[ . 1 . 2]" 2
129 1 83 TYR HB2 1 83 TYR QE 3.300 . 4.800 4.401 4.371 4.477 . 0 0 "[ . 1 . 2]" 2
130 1 83 TYR HA 1 83 TYR QE 6.000 . 6.000 4.643 4.236 5.574 . 0 0 "[ . 1 . 2]" 2
131 1 83 TYR HA 1 83 TYR QD 2.500 . 3.500 2.674 1.924 3.615 0.115 14 0 "[ . 1 . 2]" 2
132 1 83 TYR H 1 83 TYR QE 3.900 . 6.000 4.647 3.786 5.203 . 0 0 "[ . 1 . 2]" 2
133 1 83 TYR H 1 83 TYR QD 2.700 . 3.800 2.946 2.196 3.594 . 0 0 "[ . 1 . 2]" 2
134 1 83 TYR HB3 1 84 TRP H 6.000 . 6.000 3.370 3.076 3.939 . 0 0 "[ . 1 . 2]" 2
135 1 83 TYR HB2 1 84 TRP H 6.000 . 6.000 4.125 3.352 4.393 . 0 0 "[ . 1 . 2]" 2
136 1 84 TRP HA 1 84 TRP HB3 3.000 . 4.300 2.362 2.302 2.397 . 0 0 "[ . 1 . 2]" 2
137 1 84 TRP HB3 1 85 HIS H 3.000 . 4.300 2.358 2.122 2.806 . 0 0 "[ . 1 . 2]" 2
138 1 84 TRP HA 1 85 HIS H 2.600 . 3.700 2.437 2.247 2.566 . 0 0 "[ . 1 . 2]" 2
139 1 84 TRP H 1 85 HIS H 6.000 . 6.000 4.423 4.375 4.471 . 0 0 "[ . 1 . 2]" 2
140 1 85 HIS H 1 85 HIS HB3 3.200 . 4.700 3.424 3.248 3.581 . 0 0 "[ . 1 . 2]" 2
141 1 85 HIS HB2 1 86 SER H 6.000 . 6.000 1.983 1.767 2.299 . 0 0 "[ . 1 . 2]" 2
142 1 85 HIS HB3 1 86 SER H 3.100 . 4.500 3.478 3.334 3.661 . 0 0 "[ . 1 . 2]" 2
143 1 85 HIS H 1 86 SER H 4.200 . 6.000 4.337 4.257 4.400 . 0 0 "[ . 1 . 2]" 2
144 1 86 SER H 1 86 SER HB3 3.000 . 4.300 3.351 2.672 3.600 . 0 0 "[ . 1 . 2]" 2
145 1 86 SER H 1 86 SER HB2 2.900 . 4.100 3.069 2.480 3.585 . 0 0 "[ . 1 . 2]" 2
146 1 86 SER HB3 1 87 ARG H 3.400 . 5.000 4.100 3.818 4.272 . 0 0 "[ . 1 . 2]" 2
147 1 86 SER HB2 1 87 ARG H 6.000 . 6.000 2.920 2.496 3.465 . 0 0 "[ . 1 . 2]" 2
148 1 86 SER H 1 87 ARG H 3.200 . 4.700 2.826 2.577 3.092 . 0 0 "[ . 1 . 2]" 2
149 1 87 ARG H 1 87 ARG QD 6.000 . 6.000 4.478 3.787 4.906 . 0 0 "[ . 1 . 2]" 2
150 1 87 ARG HA 1 87 ARG QD 3.300 . 4.900 3.170 2.096 4.161 . 0 0 "[ . 1 . 2]" 2
151 1 87 ARG QD 1 87 ARG HG2 2.300 . 3.200 2.314 2.137 2.533 . 0 0 "[ . 1 . 2]" 2
152 1 87 ARG HA 1 88 CYS H 6.000 . 6.000 3.405 3.297 3.559 . 0 0 "[ . 1 . 2]" 2
153 1 87 ARG QB 1 88 CYS H 6.000 . 6.000 3.312 2.770 3.917 . 0 0 "[ . 1 . 2]" 2
154 1 88 CYS H 1 88 CYS HA 2.800 . 4.000 2.924 2.889 2.936 . 0 0 "[ . 1 . 2]" 2
155 1 88 CYS HA 1 89 LEU H 6.000 . 6.000 3.537 3.498 3.570 . 0 0 "[ . 1 . 2]" 2
156 1 88 CYS HB2 1 89 LEU H 6.000 . 6.000 2.958 2.729 3.154 . 0 0 "[ . 1 . 2]" 2
157 1 88 CYS HB3 1 89 LEU H 6.000 . 6.000 2.945 2.426 3.752 . 0 0 "[ . 1 . 2]" 2
158 1 89 LEU H 1 89 LEU HB3 2.700 . 3.800 3.100 2.605 3.401 . 0 0 "[ . 1 . 2]" 2
159 1 89 LEU H 1 89 LEU HB2 2.800 . 4.000 2.157 2.076 2.453 . 0 0 "[ . 1 . 2]" 2
160 1 89 LEU HA 1 89 LEU HB2 3.000 . 4.300 2.789 2.539 2.947 . 0 0 "[ . 1 . 2]" 2
161 1 88 CYS H 1 89 LEU H 6.000 . 6.000 2.285 2.157 2.481 . 0 0 "[ . 1 . 2]" 2
162 1 89 LEU HA 1 90 LYS H 2.400 . 3.300 2.324 2.225 2.429 . 0 0 "[ . 1 . 2]" 2
163 1 90 LYS H 1 90 LYS HG3 3.400 . 5.000 2.276 1.800 3.409 . 0 0 "[ . 1 . 2]" 2
164 1 90 LYS H 1 90 LYS HG2 3.800 . 5.800 3.705 2.976 4.241 . 0 0 "[ . 1 . 2]" 2
165 1 90 LYS H 1 90 LYS HB3 3.800 . 5.800 3.647 3.419 3.910 . 0 0 "[ . 1 . 2]" 2
166 1 90 LYS H 1 90 LYS HB2 3.200 . 4.700 3.541 2.668 3.779 . 0 0 "[ . 1 . 2]" 2
167 1 90 LYS H 1 90 LYS QD 4.100 . 6.000 3.180 2.314 4.750 . 0 0 "[ . 1 . 2]" 2
168 1 90 LYS HA 1 90 LYS HG2 3.400 . 5.100 3.872 2.435 4.189 . 0 0 "[ . 1 . 2]" 2
169 1 90 LYS HA 1 90 LYS HB3 3.000 . 4.300 2.310 2.249 2.555 . 0 0 "[ . 1 . 2]" 2
170 1 90 LYS HA 1 90 LYS HB2 2.900 . 4.200 2.731 2.611 3.021 . 0 0 "[ . 1 . 2]" 2
171 1 90 LYS HA 1 91 CYS H 2.600 . 3.600 2.367 2.194 2.502 . 0 0 "[ . 1 . 2]" 2
172 1 91 CYS H 1 91 CYS HB2 3.100 . 4.500 2.563 2.328 3.593 . 0 0 "[ . 1 . 2]" 2
173 1 91 CYS H 1 91 CYS HB3 3.100 . 4.500 2.483 2.230 2.590 . 0 0 "[ . 1 . 2]" 2
174 1 90 LYS H 1 91 CYS H 6.000 . 6.000 4.386 4.294 4.451 . 0 0 "[ . 1 . 2]" 2
175 1 91 CYS HB3 1 92 SER H 3.700 . 5.600 4.131 3.993 4.278 . 0 0 "[ . 1 . 2]" 2
176 1 91 CYS HB2 1 92 SER H 4.100 . 6.000 4.130 2.887 4.299 . 0 0 "[ . 1 . 2]" 2
177 1 91 CYS HA 1 92 SER H 2.500 . 3.500 2.191 2.158 2.278 . 0 0 "[ . 1 . 2]" 2
178 1 92 SER H 1 92 SER QB 2.800 . 4.000 2.710 2.520 2.918 . 0 0 "[ . 1 . 2]" 2
179 1 91 CYS H 1 92 SER H 3.600 . 5.500 4.567 4.531 4.624 . 0 0 "[ . 1 . 2]" 2
180 1 92 SER H 1 93 SER H 3.100 . 4.500 2.506 2.418 2.598 . 0 0 "[ . 1 . 2]" 2
181 1 93 SER H 1 93 SER HA 2.500 . 3.500 2.930 2.914 2.944 . 0 0 "[ . 1 . 2]" 2
182 1 93 SER H 1 93 SER HB2 2.600 . 3.600 3.001 2.258 3.278 . 0 0 "[ . 1 . 2]" 2
183 1 93 SER H 1 93 SER HB3 2.700 . 3.800 3.568 2.985 3.779 . 0 0 "[ . 1 . 2]" 2
184 1 92 SER QB 1 93 SER H 2.800 . 4.000 3.399 3.237 3.678 . 0 0 "[ . 1 . 2]" 2
185 1 93 SER HA 1 93 SER HB3 2.600 . 3.600 2.320 2.228 2.947 . 0 0 "[ . 1 . 2]" 2
186 1 93 SER HB3 1 94 CYS H 3.100 . 4.500 3.895 2.541 4.246 . 0 0 "[ . 1 . 2]" 2
187 1 93 SER HB2 1 94 CYS H 6.000 . 6.000 2.775 2.517 3.413 . 0 0 "[ . 1 . 2]" 2
188 1 93 SER HA 1 94 CYS H 2.700 . 3.800 3.582 3.503 3.615 . 0 0 "[ . 1 . 2]" 2
189 1 94 CYS HB2 1 95 GLN H 6.000 . 6.000 3.773 2.808 4.386 . 0 0 "[ . 1 . 2]" 2
190 1 95 GLN H 1 95 GLN HA 2.300 . 3.100 2.252 2.245 2.262 . 0 0 "[ . 1 . 2]" 2
191 1 95 GLN H 1 95 GLN HG3 3.000 . 4.400 4.311 3.846 4.493 0.093 19 0 "[ . 1 . 2]" 2
192 1 94 CYS H 1 95 GLN H 2.700 . 3.800 2.104 1.953 2.395 . 0 0 "[ . 1 . 2]" 2
193 1 95 GLN HA 1 95 GLN HG2 2.100 . 2.800 2.284 2.031 2.759 . 0 0 "[ . 1 . 2]" 2
194 1 95 GLN HB3 1 96 ALA H 6.000 . 6.000 4.261 4.085 4.441 . 0 0 "[ . 1 . 2]" 2
195 1 95 GLN HB2 1 96 ALA H 3.200 . 4.700 4.167 3.873 4.368 . 0 0 "[ . 1 . 2]" 2
196 1 95 GLN HA 1 96 ALA H 2.800 . 4.000 2.950 2.755 3.128 . 0 0 "[ . 1 . 2]" 2
197 1 96 ALA H 1 96 ALA MB 2.400 . 3.300 2.194 2.059 2.364 . 0 0 "[ . 1 . 2]" 2
198 1 96 ALA H 1 96 ALA HA 2.700 . 3.800 2.870 2.804 2.934 . 0 0 "[ . 1 . 2]" 2
199 1 95 GLN H 1 96 ALA H 3.000 . 4.300 2.613 2.510 2.726 . 0 0 "[ . 1 . 2]" 2
200 1 96 ALA HA 1 97 GLN H 2.200 . 3.000 2.200 2.132 2.348 . 0 0 "[ . 1 . 2]" 2
201 1 97 GLN H 1 97 GLN HB3 2.500 . 3.500 3.491 3.245 3.589 0.089 5 0 "[ . 1 . 2]" 2
202 1 97 GLN H 1 97 GLN HB2 2.500 . 3.500 2.361 2.054 3.007 . 0 0 "[ . 1 . 2]" 2
203 1 97 GLN H 1 97 GLN HG3 2.800 . 4.000 3.187 2.168 4.148 0.148 13 0 "[ . 1 . 2]" 2
204 1 97 GLN H 1 97 GLN HG2 2.800 . 4.000 3.244 1.676 4.083 0.083 14 0 "[ . 1 . 2]" 2
205 1 97 GLN HA 1 97 GLN HG3 3.000 . 4.300 3.179 2.269 3.929 . 0 0 "[ . 1 . 2]" 2
206 1 97 GLN HA 1 97 GLN HB3 2.900 . 4.200 2.574 2.269 2.843 . 0 0 "[ . 1 . 2]" 2
207 1 100 ASP H 1 100 ASP HA 2.600 . 3.700 2.920 2.876 2.933 . 0 0 "[ . 1 . 2]" 2
208 1 100 ASP H 1 100 ASP HB2 2.800 . 4.000 2.607 2.268 3.616 . 0 0 "[ . 1 . 2]" 2
209 1 100 ASP H 1 100 ASP HB3 2.700 . 3.800 2.905 2.272 3.534 . 0 0 "[ . 1 . 2]" 2
210 1 99 GLY H 1 100 ASP H 3.000 . 4.300 2.513 2.215 2.896 . 0 0 "[ . 1 . 2]" 2
211 1 100 ASP HA 1 100 ASP HB3 2.300 . 3.200 2.904 2.345 3.014 . 0 0 "[ . 1 . 2]" 2
212 1 100 ASP HB3 1 101 ILE H 3.400 . 5.100 3.792 2.667 4.548 . 0 0 "[ . 1 . 2]" 2
213 1 100 ASP HB2 1 101 ILE H 3.200 . 4.600 4.167 3.593 4.672 0.072 3 0 "[ . 1 . 2]" 2
214 1 100 ASP HA 1 101 ILE H 2.200 . 3.000 3.102 2.442 3.400 0.400 10 0 "[ . 1 . 2]" 2
215 1 100 ASP H 1 101 ILE H 3.000 . 4.300 2.430 2.012 3.673 . 0 0 "[ . 1 . 2]" 2
216 1 101 ILE HA 1 101 ILE HB 2.500 . 3.500 2.940 2.612 3.028 . 0 0 "[ . 1 . 2]" 2
217 1 101 ILE HA 1 102 GLY H 2.400 . 3.300 2.533 2.164 3.524 0.224 18 0 "[ . 1 . 2]" 2
218 1 101 ILE H 1 102 GLY H 3.400 . 5.000 3.804 1.970 4.508 . 0 0 "[ . 1 . 2]" 2
219 1 102 GLY HA2 1 103 THR H 6.000 . 6.000 2.938 2.490 3.554 . 0 0 "[ . 1 . 2]" 2
220 1 102 GLY HA3 1 103 THR H 6.000 . 6.000 3.376 2.617 3.566 . 0 0 "[ . 1 . 2]" 2
221 1 102 GLY H 1 103 THR H 2.700 . 3.800 3.024 2.145 3.744 . 0 0 "[ . 1 . 2]" 2
222 1 103 THR H 1 103 THR HA 2.700 . 3.800 2.896 2.830 2.945 . 0 0 "[ . 1 . 2]" 2
223 1 103 THR HA 1 104 SER H 2.400 . 3.300 2.193 2.132 2.330 . 0 0 "[ . 1 . 2]" 2
224 1 103 THR H 1 104 SER H 4.300 . 6.000 4.489 4.306 4.605 . 0 0 "[ . 1 . 2]" 2
225 1 104 SER H 1 104 SER QB 3.100 . 4.500 2.771 2.196 2.935 . 0 0 "[ . 1 . 2]" 2
226 1 104 SER QB 1 105 SER H 2.800 . 4.000 3.440 2.559 3.904 . 0 0 "[ . 1 . 2]" 2
227 1 105 SER H 1 105 SER HB3 3.900 . 6.000 3.299 2.120 3.595 . 0 0 "[ . 1 . 2]" 2
228 1 105 SER H 1 105 SER HB2 3.900 . 6.000 3.191 3.048 3.328 . 0 0 "[ . 1 . 2]" 2
229 1 105 SER HA 1 105 SER HB3 2.700 . 3.800 2.284 2.238 2.961 . 0 0 "[ . 1 . 2]" 2
230 1 105 SER HA 1 105 SER HB2 2.700 . 3.800 2.829 2.282 2.929 . 0 0 "[ . 1 . 2]" 2
231 1 105 SER HA 1 106 TYR H 2.600 . 3.600 2.430 2.163 2.676 . 0 0 "[ . 1 . 2]" 2
232 1 105 SER HB3 1 106 TYR H 6.000 . 6.000 3.151 2.657 4.225 . 0 0 "[ . 1 . 2]" 2
233 1 105 SER HB2 1 106 TYR H 6.000 . 6.000 2.846 2.196 3.650 . 0 0 "[ . 1 . 2]" 2
234 1 106 TYR HA 1 106 TYR HB2 2.900 . 4.100 3.023 3.001 3.030 . 0 0 "[ . 1 . 2]" 2
235 1 106 TYR HB2 1 107 THR H 6.000 . 6.000 3.699 3.255 3.973 . 0 0 "[ . 1 . 2]" 2
236 1 106 TYR HB3 1 107 THR H 6.000 . 6.000 2.586 2.255 2.891 . 0 0 "[ . 1 . 2]" 2
237 1 107 THR H 1 107 THR HB 3.300 . 4.800 3.135 2.509 3.329 . 0 0 "[ . 1 . 2]" 2
238 1 107 THR HB 1 108 LYS H 6.000 . 6.000 3.818 3.625 4.367 . 0 0 "[ . 1 . 2]" 2
239 1 107 THR HA 1 108 LYS H 2.400 . 3.300 2.442 2.183 2.565 . 0 0 "[ . 1 . 2]" 2
240 1 107 THR H 1 108 LYS H 4.400 . 6.000 4.380 4.347 4.419 . 0 0 "[ . 1 . 2]" 2
241 1 108 LYS H 1 108 LYS HB3 3.200 . 4.700 3.284 3.144 3.510 . 0 0 "[ . 1 . 2]" 2
242 1 108 LYS H 1 108 LYS HB2 2.500 . 3.500 3.125 2.761 3.311 . 0 0 "[ . 1 . 2]" 2
243 1 108 LYS HA 1 109 SER H 2.600 . 3.700 3.473 2.163 3.564 . 0 0 "[ . 1 . 2]" 2
244 1 108 LYS HB3 1 109 SER H 6.000 . 6.000 2.057 1.512 3.756 . 0 0 "[ . 1 . 2]" 2
245 1 108 LYS HB2 1 109 SER H 6.000 . 6.000 3.243 2.946 4.380 . 0 0 "[ . 1 . 2]" 2
246 1 108 LYS HD3 1 109 SER H 3.200 . 4.700 4.231 3.569 4.736 0.036 13 0 "[ . 1 . 2]" 2
247 1 108 LYS H 1 109 SER H 6.000 . 6.000 2.633 1.934 4.151 . 0 0 "[ . 1 . 2]" 2
248 1 109 SER H 1 109 SER HA 2.500 . 3.500 2.871 2.265 2.941 . 0 0 "[ . 1 . 2]" 2
249 1 109 SER HB2 1 110 GLY H 6.000 . 6.000 4.197 4.001 4.324 . 0 0 "[ . 1 . 2]" 2
250 1 109 SER HA 1 110 GLY H 2.900 . 4.200 2.862 2.569 3.114 . 0 0 "[ . 1 . 2]" 2
251 1 110 GLY H 1 110 GLY HA3 2.500 . 3.500 2.859 2.809 2.903 . 0 0 "[ . 1 . 2]" 2
252 1 109 SER H 1 110 GLY H 3.200 . 4.700 3.015 2.705 3.582 . 0 0 "[ . 1 . 2]" 2
253 1 111 MET H 1 111 MET HG3 3.300 . 4.900 3.643 1.928 4.445 . 0 0 "[ . 1 . 2]" 2
254 1 111 MET H 1 111 MET HG2 3.100 . 4.500 4.195 2.118 4.866 0.366 16 0 "[ . 1 . 2]" 2
255 1 111 MET H 1 111 MET HB2 2.600 . 3.600 2.491 2.125 2.951 . 0 0 "[ . 1 . 2]" 2
256 1 111 MET HB3 1 112 ILE H 6.000 . 6.000 3.286 2.770 3.740 . 0 0 "[ . 1 . 2]" 2
257 1 111 MET HB2 1 112 ILE H 6.000 . 6.000 4.176 3.676 4.462 . 0 0 "[ . 1 . 2]" 2
258 1 111 MET HA 1 112 ILE H 6.000 . 6.000 2.208 2.157 2.282 . 0 0 "[ . 1 . 2]" 2
259 1 112 ILE H 1 112 ILE HB 2.600 . 3.700 3.019 2.521 3.428 . 0 0 "[ . 1 . 2]" 2
260 1 112 ILE HB 1 113 LEU H 6.000 . 6.000 3.976 3.728 4.346 . 0 0 "[ . 1 . 2]" 2
261 1 112 ILE HA 1 113 LEU H 2.400 . 3.300 2.150 2.124 2.184 . 0 0 "[ . 1 . 2]" 2
262 1 112 ILE H 1 113 LEU H 4.200 . 6.000 4.348 4.220 4.493 . 0 0 "[ . 1 . 2]" 2
263 1 113 LEU H 1 114 CYS H 6.000 . 6.000 4.436 4.398 4.479 . 0 0 "[ . 1 . 2]" 2
264 1 113 LEU HA 1 114 CYS H 2.600 . 3.600 2.308 2.220 2.392 . 0 0 "[ . 1 . 2]" 2
265 1 113 LEU HB2 1 114 CYS H 6.000 . 6.000 3.865 3.264 4.252 . 0 0 "[ . 1 . 2]" 2
266 1 114 CYS HA 1 114 CYS HB3 2.700 . 3.800 2.462 2.347 2.514 . 0 0 "[ . 1 . 2]" 2
267 1 114 CYS HA 1 114 CYS HB2 2.600 . 3.700 2.464 2.383 3.005 . 0 0 "[ . 1 . 2]" 2
268 1 114 CYS HB3 1 115 ARG H 6.000 . 6.000 3.587 2.028 3.815 . 0 0 "[ . 1 . 2]" 2
269 1 115 ARG HB3 1 116 ASN H 3.100 . 4.500 3.346 2.310 4.235 . 0 0 "[ . 1 . 2]" 2
270 1 115 ARG HB2 1 116 ASN H 2.900 . 4.200 3.228 2.352 4.134 . 0 0 "[ . 1 . 2]" 2
271 1 116 ASN HA 1 116 ASN HB3 2.300 . 3.200 2.874 2.274 3.031 . 0 0 "[ . 1 . 2]" 2
272 1 116 ASN HA 1 116 ASN HB2 2.700 . 3.800 2.532 2.231 3.019 . 0 0 "[ . 1 . 2]" 2
273 1 116 ASN HB3 1 117 ASP H 3.000 . 4.300 3.030 2.530 3.998 . 0 0 "[ . 1 . 2]" 2
274 1 116 ASN HB2 1 117 ASP H 2.700 . 3.800 3.732 2.553 4.309 0.509 16 1 "[ . 1 .+ 2]" 2
275 1 117 ASP H 1 117 ASP HB3 3.000 . 4.300 3.337 3.124 3.450 . 0 0 "[ . 1 . 2]" 2
276 1 117 ASP H 1 117 ASP HB2 2.700 . 3.800 2.182 2.069 3.485 . 0 0 "[ . 1 . 2]" 2
277 1 118 TYR H 1 118 TYR HB3 2.800 . 4.000 2.470 2.318 2.610 . 0 0 "[ . 1 . 2]" 2
278 1 118 TYR HB3 1 119 ILE H 3.100 . 4.500 2.617 2.368 2.708 . 0 0 "[ . 1 . 2]" 2
279 1 118 TYR HB2 1 119 ILE H 3.200 . 4.600 3.950 3.737 4.030 . 0 0 "[ . 1 . 2]" 2
280 1 118 TYR H 1 119 ILE H 3.000 . 4.300 2.763 2.645 2.828 . 0 0 "[ . 1 . 2]" 2
281 1 119 ILE HA 1 119 ILE HB 3.000 . 4.300 3.013 2.984 3.028 . 0 0 "[ . 1 . 2]" 2
282 1 119 ILE HA 1 120 ARG H 6.000 . 6.000 3.499 3.447 3.532 . 0 0 "[ . 1 . 2]" 2
283 1 120 ARG HA 1 120 ARG HG3 3.200 . 4.700 2.874 2.270 3.680 . 0 0 "[ . 1 . 2]" 2
284 1 120 ARG HA 1 120 ARG HG2 2.800 . 4.000 2.734 2.098 3.910 . 0 0 "[ . 1 . 2]" 2
285 1 120 ARG HA 1 121 LEU H 6.000 . 6.000 3.521 3.454 3.548 . 0 0 "[ . 1 . 2]" 2
286 1 120 ARG HB3 1 121 LEU H 6.000 . 6.000 2.918 2.496 3.569 . 0 0 "[ . 1 . 2]" 2
287 1 120 ARG HB2 1 121 LEU H 3.100 . 4.500 3.447 2.577 4.254 . 0 0 "[ . 1 . 2]" 2
288 1 121 LEU H 1 121 LEU HA 2.400 . 3.300 2.872 2.826 2.917 . 0 0 "[ . 1 . 2]" 2
289 1 121 LEU H 1 121 LEU HB2 2.600 . 3.700 2.150 2.047 2.279 . 0 0 "[ . 1 . 2]" 2
290 1 121 LEU H 1 121 LEU HB3 2.800 . 4.000 3.238 2.992 3.545 . 0 0 "[ . 1 . 2]" 2
291 1 121 LEU HB3 1 121 LEU HG 2.900 . 4.200 2.795 2.321 3.025 . 0 0 "[ . 1 . 2]" 2
292 1 121 LEU HA 1 121 LEU HG 2.800 . 3.900 2.603 2.115 3.629 . 0 0 "[ . 1 . 2]" 2
293 1 121 LEU HB2 1 122 PHE H 3.200 . 4.600 2.900 2.361 3.306 . 0 0 "[ . 1 . 2]" 2
294 1 121 LEU HG 1 122 PHE H 6.000 . 6.000 4.748 4.528 4.928 . 0 0 "[ . 1 . 2]" 2
295 1 121 LEU HA 1 122 PHE H 6.000 . 6.000 3.573 3.559 3.588 . 0 0 "[ . 1 . 2]" 2
296 1 121 LEU H 1 122 PHE H 2.800 . 4.000 2.648 2.414 2.791 . 0 0 "[ . 1 . 2]" 2
297 1 122 PHE HA 1 122 PHE HB2 2.500 . 3.500 3.022 3.012 3.028 . 0 0 "[ . 1 . 2]" 2
298 1 122 PHE HB2 1 123 GLY H 3.900 . 6.000 1.919 1.627 2.361 0.173 17 0 "[ . 1 . 2]" 2
299 1 122 PHE HA 1 123 GLY H 3.400 . 5.100 3.515 3.393 3.569 . 0 0 "[ . 1 . 2]" 2
300 1 122 PHE H 1 123 GLY H 2.400 . 3.300 2.795 2.210 3.330 0.030 12 0 "[ . 1 . 2]" 2
301 1 123 GLY H 1 123 GLY HA3 2.300 . 3.200 2.917 2.860 2.950 . 0 0 "[ . 1 . 2]" 2
302 1 118 TYR HB3 1 118 TYR QD 2.700 . 3.800 2.295 2.281 2.399 . 0 0 "[ . 1 . 2]" 2
303 1 118 TYR HB3 1 118 TYR QE 4.800 . 6.000 4.390 4.381 4.418 . 0 0 "[ . 1 . 2]" 2
304 1 118 TYR HB2 1 118 TYR QD 2.600 . 3.600 2.641 2.563 2.763 . 0 0 "[ . 1 . 2]" 2
305 1 118 TYR HA 1 118 TYR QE 3.700 . 5.700 4.524 4.342 4.730 . 0 0 "[ . 1 . 2]" 2
306 1 118 TYR HA 1 118 TYR QD 2.700 . 3.800 2.372 1.977 2.656 . 0 0 "[ . 1 . 2]" 2
307 1 106 TYR H 1 106 TYR QE 6.000 . 6.000 4.935 4.446 5.181 . 0 0 "[ . 1 . 2]" 2
308 1 106 TYR HB3 1 106 TYR QD 2.600 . 3.600 2.479 2.318 2.593 . 0 0 "[ . 1 . 2]" 2
309 1 106 TYR HB2 1 106 TYR QD 2.600 . 3.600 2.343 2.287 2.507 . 0 0 "[ . 1 . 2]" 2
310 1 106 TYR HA 1 106 TYR QD 2.700 . 3.800 2.755 2.394 3.115 . 0 0 "[ . 1 . 2]" 2
311 1 106 TYR HA 1 106 TYR QE 3.400 . 5.100 4.613 4.421 4.865 . 0 0 "[ . 1 . 2]" 2
312 1 82 SER H 1 82 SER HB3 3.000 . 4.300 3.524 3.305 3.689 . 0 0 "[ . 1 . 2]" 2
313 1 82 SER H 1 83 TYR H 4.800 . 6.000 4.512 4.411 4.576 . 0 0 "[ . 1 . 2]" 2
314 1 92 SER H 1 113 LEU HA 3.400 . 5.100 2.980 2.683 3.788 . 0 0 "[ . 1 . 2]" 2
315 1 65 ALA MB 1 82 SER H 4.200 . 6.000 4.880 4.637 5.247 . 0 0 "[ . 1 . 2]" 2
316 1 79 ALA H 1 82 SER H 3.200 . 4.700 3.705 2.948 4.192 . 0 0 "[ . 1 . 2]" 2
317 1 84 TRP HB3 1 84 TRP HE3 2.600 . 3.600 2.459 2.309 2.557 . 0 0 "[ . 1 . 2]" 2
318 1 84 TRP HA 1 84 TRP HE3 3.100 . 4.500 3.585 3.234 3.880 . 0 0 "[ . 1 . 2]" 2
319 1 84 TRP H 1 84 TRP HE3 6.000 . 6.000 5.609 5.516 5.676 . 0 0 "[ . 1 . 2]" 2
320 1 121 LEU HB3 1 122 PHE H 3.300 . 4.800 2.607 2.232 3.258 . 0 0 "[ . 1 . 2]" 2
321 1 65 ALA MB 1 83 TYR H 3.400 . 5.000 3.687 2.866 4.547 . 0 0 "[ . 1 . 2]" 2
322 1 79 ALA MB 1 82 SER H 2.900 . 4.200 4.184 3.963 4.309 0.109 16 0 "[ . 1 . 2]" 2
323 1 85 HIS HB3 1 85 HIS HD2 2.800 . 4.000 3.181 3.048 3.334 . 0 0 "[ . 1 . 2]" 2
324 1 85 HIS HA 1 85 HIS HD2 2.900 . 4.200 3.991 3.866 4.116 . 0 0 "[ . 1 . 2]" 2
325 1 75 PHE QD 1 76 LEU H 3.100 . 4.500 4.098 3.750 4.320 . 0 0 "[ . 1 . 2]" 2
326 1 92 SER H 1 112 ILE H 6.000 . 6.000 4.362 3.642 5.575 . 0 0 "[ . 1 . 2]" 2
327 1 77 LEU H 1 84 TRP H 3.400 . 5.000 2.810 2.601 3.224 . 0 0 "[ . 1 . 2]" 2
328 1 110 GLY H 1 111 MET H 2.900 . 4.200 2.637 2.358 2.983 . 0 0 "[ . 1 . 2]" 2
329 1 78 TYR HA 1 82 SER H 3.300 . 4.900 4.882 4.294 5.017 0.117 5 0 "[ . 1 . 2]" 2
330 1 65 ALA MB 1 84 TRP HE3 3.600 . 5.400 3.818 2.993 4.785 . 0 0 "[ . 1 . 2]" 2
331 1 84 TRP HE3 1 89 LEU HB2 3.500 . 5.200 4.417 3.869 5.090 . 0 0 "[ . 1 . 2]" 2
332 1 65 ALA MB 1 84 TRP HZ2 2.700 . 3.800 3.685 3.412 3.864 0.064 16 0 "[ . 1 . 2]" 2
333 1 65 ALA MB 1 84 TRP HZ3 3.400 . 5.000 3.353 2.860 4.015 . 0 0 "[ . 1 . 2]" 2
334 1 84 TRP HE3 1 89 LEU HA 2.900 . 4.100 3.448 3.068 3.939 . 0 0 "[ . 1 . 2]" 2
335 1 89 LEU HA 1 89 LEU HG 3.000 . 4.300 3.176 2.901 3.625 . 0 0 "[ . 1 . 2]" 2
336 1 84 TRP HB3 1 89 LEU HB3 3.100 . 4.500 4.315 3.649 4.847 0.347 15 0 "[ . 1 . 2]" 2
337 1 105 SER HA 1 115 ARG HG3 6.000 . 6.000 5.024 3.052 6.257 0.257 9 0 "[ . 1 . 2]" 2
338 1 96 ALA MB 1 114 CYS HB2 4.200 . 6.000 4.368 3.093 5.580 . 0 0 "[ . 1 . 2]" 2
339 1 91 CYS HB2 1 95 GLN H 3.200 . 4.700 4.146 3.474 4.727 0.027 9 0 "[ . 1 . 2]" 2
340 1 80 MET HB2 1 81 ASP H 4.200 . 6.000 3.033 1.823 4.588 . 0 0 "[ . 1 . 2]" 2
341 1 60 SER QB 1 61 TRP HD1 4.100 . 6.000 5.630 1.779 6.038 0.038 10 0 "[ . 1 . 2]" 2
342 1 118 TYR H 1 120 ARG H 4.400 . 6.000 4.062 3.791 4.288 . 0 0 "[ . 1 . 2]" 2
343 1 94 CYS H 1 95 GLN HA 3.500 . 5.200 4.312 4.169 4.640 . 0 0 "[ . 1 . 2]" 2
344 1 59 LEU HB3 1 61 TRP H 4.200 . 6.000 4.306 2.048 5.529 . 0 0 "[ . 1 . 2]" 2
345 1 61 TRP HE3 1 62 LYS H 3.800 . 5.800 3.346 2.401 4.349 . 0 0 "[ . 1 . 2]" 2
346 1 66 GLY H 1 84 TRP HZ3 3.000 . 4.300 3.664 2.996 4.310 0.010 1 0 "[ . 1 . 2]" 2
347 1 66 GLY H 1 84 TRP HE3 3.200 . 4.700 3.540 2.943 4.047 . 0 0 "[ . 1 . 2]" 2
348 1 66 GLY H 1 68 GLY H 3.700 . 5.600 3.998 3.199 5.516 . 0 0 "[ . 1 . 2]" 2
349 1 64 CYS HB3 1 68 GLY H 4.200 . 6.000 4.065 1.932 6.085 0.085 5 0 "[ . 1 . 2]" 2
350 1 67 CYS HA 1 69 GLY H 4.300 . 6.000 5.034 4.386 6.021 0.021 11 0 "[ . 1 . 2]" 2
351 1 91 CYS H 1 95 GLN H 4.300 . 6.000 4.040 3.634 4.389 . 0 0 "[ . 1 . 2]" 2
352 1 71 ILE HA 1 73 ASP H 3.700 . 5.600 3.272 3.041 3.589 . 0 0 "[ . 1 . 2]" 2
353 1 71 ILE HB 1 73 ASP H 4.300 . 6.000 4.324 4.056 4.678 . 0 0 "[ . 1 . 2]" 2
354 1 70 LYS H 1 70 LYS HG2 2.800 . 4.000 2.939 1.779 4.802 0.802 5 2 "[ + 1 - 2]" 2
355 1 73 ASP HB3 1 75 PHE H 3.700 . 5.600 3.475 2.801 3.929 . 0 0 "[ . 1 . 2]" 2
356 1 74 ARG HG2 1 75 PHE H 3.800 . 5.800 3.908 3.010 4.635 . 0 0 "[ . 1 . 2]" 2
357 1 78 TYR QD 1 81 ASP HA 4.100 . 6.000 3.623 2.574 4.422 . 0 0 "[ . 1 . 2]" 2
358 1 62 LYS HG3 1 83 TYR QE 3.700 . 5.600 4.203 2.872 5.795 0.195 15 0 "[ . 1 . 2]" 2
359 1 78 TYR QE 1 82 SER HA 3.400 . 5.100 3.702 3.204 4.450 . 0 0 "[ . 1 . 2]" 2
360 1 78 TYR QE 1 81 ASP HA 2.700 . 3.800 3.249 2.314 3.796 . 0 0 "[ . 1 . 2]" 2
361 1 78 TYR QE 1 79 ALA H 6.000 . 6.000 4.768 4.294 5.580 . 0 0 "[ . 1 . 2]" 2
362 1 79 ALA H 1 84 TRP HD1 2.700 . 3.800 2.646 1.921 3.111 . 0 0 "[ . 1 . 2]" 2
363 1 82 SER H 1 84 TRP HZ2 6.000 . 6.000 3.731 3.649 3.826 . 0 0 "[ . 1 . 2]" 2
364 1 82 SER H 1 84 TRP HD1 6.000 . 6.000 4.563 4.189 4.790 . 0 0 "[ . 1 . 2]" 2
365 1 78 TYR QE 1 83 TYR QD 2.700 . 3.800 3.736 3.049 3.898 0.098 9 0 "[ . 1 . 2]" 2
366 1 62 LYS QE 1 83 TYR QE 3.200 . 4.700 3.620 2.582 4.698 . 0 0 "[ . 1 . 2]" 2
367 1 78 TYR QE 1 84 TRP H 4.400 . 6.000 5.979 5.727 6.102 0.102 3 0 "[ . 1 . 2]" 2
368 1 84 TRP H 1 84 TRP HB2 3.400 . 5.100 2.868 2.735 3.045 . 0 0 "[ . 1 . 2]" 2
369 1 67 CYS H 1 69 GLY H 3.400 . 5.000 4.407 3.620 5.001 0.001 13 0 "[ . 1 . 2]" 2
370 1 84 TRP HE3 1 85 HIS H 3.700 . 5.600 4.085 3.836 4.400 . 0 0 "[ . 1 . 2]" 2
371 1 85 HIS H 1 85 HIS HD2 6.000 . 6.000 1.907 1.483 2.374 . 0 0 "[ . 1 . 2]" 2
372 1 85 HIS H 1 88 CYS HB3 3.200 . 4.700 2.978 2.361 4.520 . 0 0 "[ . 1 . 2]" 2
373 1 84 TRP HB2 1 85 HIS H 6.000 . 6.000 3.172 2.959 3.618 . 0 0 "[ . 1 . 2]" 2
374 1 64 CYS HB3 1 85 HIS H 4.200 . 6.000 5.620 3.977 6.521 0.521 18 2 "[ .- 1 . + 2]" 2
375 1 85 HIS HD2 1 86 SER H 3.600 . 5.400 5.096 4.846 5.323 . 0 0 "[ . 1 . 2]" 2
376 1 86 SER H 1 87 ARG QB 3.900 . 6.000 4.496 4.237 4.840 . 0 0 "[ . 1 . 2]" 2
377 1 87 ARG H 1 87 ARG HG3 2.800 . 4.000 3.724 2.339 4.454 0.454 8 0 "[ . 1 . 2]" 2
378 1 89 LEU H 1 90 LYS HG2 6.000 . 6.000 4.935 3.579 5.465 . 0 0 "[ . 1 . 2]" 2
379 1 109 SER HB2 1 122 PHE HZ 6.000 . 6.000 3.660 2.939 4.399 . 0 0 "[ . 1 . 2]" 2
380 1 109 SER HB3 1 122 PHE HZ 3.400 . 5.100 4.391 2.870 5.119 0.019 5 0 "[ . 1 . 2]" 2
381 1 92 SER HA 1 93 SER H 6.000 . 6.000 3.307 3.245 3.382 . 0 0 "[ . 1 . 2]" 2
382 1 93 SER H 1 94 CYS H 2.700 . 3.800 2.284 1.981 2.430 . 0 0 "[ . 1 . 2]" 2
383 1 67 CYS H 1 84 TRP HE3 4.100 . 6.000 5.200 4.389 5.683 . 0 0 "[ . 1 . 2]" 2
384 1 91 CYS HB2 1 96 ALA H 2.700 . 3.800 3.563 2.657 4.144 0.344 16 0 "[ . 1 . 2]" 2
385 1 91 CYS HB3 1 96 ALA H 2.800 . 4.000 2.304 1.611 3.698 . 0 0 "[ . 1 . 2]" 2
386 1 94 CYS HB2 1 96 ALA H 6.000 . 6.000 3.504 2.224 4.583 . 0 0 "[ . 1 . 2]" 2
387 1 80 MET HB2 1 84 TRP HZ2 3.100 . 4.500 3.481 2.096 5.367 0.867 7 1 "[ . + 1 . 2]" 2
388 1 101 ILE HA 1 103 THR H 3.200 . 4.700 4.283 3.353 4.722 0.022 3 0 "[ . 1 . 2]" 2
389 1 93 SER H 1 95 GLN H 2.500 . 3.500 3.131 2.927 3.346 . 0 0 "[ . 1 . 2]" 2
390 1 108 LYS HG2 1 109 SER H 3.100 . 4.500 3.870 2.751 4.508 0.008 10 0 "[ . 1 . 2]" 2
391 1 108 LYS HD2 1 109 SER H 6.000 . 6.000 4.732 3.109 5.533 . 0 0 "[ . 1 . 2]" 2
392 1 107 THR HA 1 113 LEU H 4.000 . 6.000 3.737 3.191 4.454 . 0 0 "[ . 1 . 2]" 2
393 1 107 THR HB 1 113 LEU H 4.300 . 6.000 4.446 3.907 5.375 . 0 0 "[ . 1 . 2]" 2
394 1 113 LEU H 1 113 LEU HG 3.100 . 4.500 3.787 2.305 4.686 0.186 12 0 "[ . 1 . 2]" 2
395 1 114 CYS H 1 117 ASP HB2 6.000 . 6.000 2.619 1.994 3.954 . 0 0 "[ . 1 . 2]" 2
396 1 106 TYR QE 1 116 ASN H 6.000 . 6.000 5.572 5.013 5.930 . 0 0 "[ . 1 . 2]" 2
397 1 114 CYS HB2 1 116 ASN H 6.000 . 6.000 3.153 2.869 3.833 . 0 0 "[ . 1 . 2]" 2
398 1 117 ASP H 1 119 ILE H 3.000 . 4.300 4.314 4.216 4.364 0.064 8 0 "[ . 1 . 2]" 2
399 1 118 TYR QE 1 123 GLY HA2 3.600 . 5.400 3.779 2.808 4.827 . 0 0 "[ . 1 . 2]" 2
400 1 118 TYR QE 1 119 ILE HA 3.600 . 5.400 4.692 4.309 5.210 . 0 0 "[ . 1 . 2]" 2
401 1 118 TYR QD 1 119 ILE HA 2.900 . 4.100 3.953 3.701 4.307 0.207 8 0 "[ . 1 . 2]" 2
402 1 118 TYR QE 1 122 PHE HB2 2.800 . 4.000 2.468 2.169 3.112 . 0 0 "[ . 1 . 2]" 2
403 1 118 TYR QD 1 122 PHE HB2 6.000 . 6.000 3.102 2.488 3.628 . 0 0 "[ . 1 . 2]" 2
404 1 108 LYS QE 1 118 TYR QE 3.700 . 5.600 3.951 2.816 4.801 . 0 0 "[ . 1 . 2]" 2
405 1 106 TYR HB3 1 118 TYR QE 4.200 . 6.000 3.712 3.002 4.611 . 0 0 "[ . 1 . 2]" 2
406 1 108 LYS HB3 1 118 TYR QD 6.000 . 6.000 4.656 3.975 5.497 . 0 0 "[ . 1 . 2]" 2
407 1 118 TYR QD 1 121 LEU HB2 2.900 . 4.100 4.491 4.132 4.986 0.886 5 9 "[** *+ 1** .- * *]" 2
408 1 118 TYR QE 1 121 LEU HB2 6.000 . 6.000 6.097 5.596 6.625 0.625 5 3 "[ * + 1 . -]" 2
409 1 108 LYS HB2 1 118 TYR QD 6.000 . 6.000 3.793 3.169 4.298 . 0 0 "[ . 1 . 2]" 2
410 1 108 LYS HD2 1 118 TYR QE 3.200 . 4.700 2.454 1.826 3.993 . 0 0 "[ . 1 . 2]" 2
411 1 108 LYS HD2 1 118 TYR QD 6.000 . 6.000 4.605 4.022 5.905 . 0 0 "[ . 1 . 2]" 2
412 1 118 TYR QE 1 119 ILE H 4.100 . 6.000 5.451 5.161 5.806 . 0 0 "[ . 1 . 2]" 2
413 1 118 TYR QD 1 119 ILE H 3.100 . 4.500 3.658 3.329 4.017 . 0 0 "[ . 1 . 2]" 2
414 1 118 TYR QD 1 122 PHE H 4.800 . 6.000 3.837 3.451 4.235 . 0 0 "[ . 1 . 2]" 2
415 1 122 PHE H 1 123 GLY HA3 3.600 . 5.400 4.710 4.513 4.984 . 0 0 "[ . 1 . 2]" 2
416 1 122 PHE H 1 122 PHE HB3 3.000 . 4.300 3.730 3.669 3.824 . 0 0 "[ . 1 . 2]" 2
417 1 118 TYR QE 1 122 PHE H 3.700 . 5.600 4.561 4.392 4.925 . 0 0 "[ . 1 . 2]" 2
418 1 118 TYR QE 1 123 GLY H 6.000 . 6.000 3.320 2.683 4.167 . 0 0 "[ . 1 . 2]" 2
419 1 105 SER HA 1 106 TYR QD 2.800 . 3.900 3.665 3.063 3.934 0.034 12 0 "[ . 1 . 2]" 2
420 1 106 TYR QE 1 115 ARG HA 2.000 . 2.700 2.526 1.801 2.733 0.033 2 0 "[ . 1 . 2]" 2
421 1 104 SER QB 1 106 TYR QE 3.200 . 4.700 3.879 2.318 4.723 0.023 15 0 "[ . 1 . 2]" 2
422 1 106 TYR QD 1 115 ARG HA 2.400 . 3.300 2.121 1.512 2.604 . 0 0 "[ . 1 . 2]" 2
423 1 106 TYR QE 1 115 ARG QD 3.700 . 5.600 3.385 2.124 5.089 . 0 0 "[ . 1 . 2]" 2
424 1 106 TYR QE 1 115 ARG HB2 2.800 . 4.000 3.516 1.883 4.132 0.132 16 0 "[ . 1 . 2]" 2
425 1 106 TYR QD 1 115 ARG HB2 3.400 . 5.100 4.463 3.277 5.524 0.424 5 0 "[ . 1 . 2]" 2
426 1 106 TYR QE 1 115 ARG HB3 3.300 . 4.900 3.142 1.561 4.302 0.139 2 0 "[ . 1 . 2]" 2
427 1 109 SER HB3 1 122 PHE QE 6.000 . 6.000 4.376 3.316 5.070 . 0 0 "[ . 1 . 2]" 2
428 1 64 CYS HB2 1 85 HIS HD2 6.000 . 6.000 3.410 2.149 6.127 0.127 7 0 "[ . 1 . 2]" 2
429 1 84 TRP HE3 1 88 CYS HA 3.200 . 4.700 3.943 3.498 4.741 0.041 6 0 "[ . 1 . 2]" 2
430 1 66 GLY HA2 1 84 TRP HE3 3.800 . 5.800 4.487 3.686 5.322 . 0 0 "[ . 1 . 2]" 2
431 1 66 GLY HA3 1 84 TRP HE3 6.000 . 6.000 3.514 2.665 4.335 . 0 0 "[ . 1 . 2]" 2
432 1 84 TRP HE3 1 88 CYS HB2 2.700 . 3.800 3.433 2.912 3.847 0.047 3 0 "[ . 1 . 2]" 2
433 1 84 TRP HE3 1 88 CYS HB3 3.000 . 4.400 1.923 1.584 2.677 0.016 4 0 "[ . 1 . 2]" 2
434 1 84 TRP HB2 1 84 TRP HE3 3.500 . 5.200 3.991 3.794 4.101 . 0 0 "[ . 1 . 2]" 2
435 1 78 TYR QE 1 84 TRP HD1 6.000 . 6.000 5.587 5.295 5.908 . 0 0 "[ . 1 . 2]" 2
436 1 83 TYR HB2 1 84 TRP HD1 6.000 . 6.000 5.773 5.201 6.202 0.202 5 0 "[ . 1 . 2]" 2
437 1 84 TRP HD1 1 89 LEU HG 3.900 . 6.000 3.648 3.043 6.043 0.043 3 0 "[ . 1 . 2]" 2
438 1 61 TRP HZ3 1 70 LYS QB 3.200 . 4.700 2.827 1.969 3.937 . 0 0 "[ . 1 . 2]" 2
439 1 84 TRP HD1 1 89 LEU HA 3.600 . 5.400 4.462 3.920 4.857 . 0 0 "[ . 1 . 2]" 2
440 1 66 GLY HA3 1 84 TRP HZ3 2.700 . 3.800 3.059 2.222 3.776 . 0 0 "[ . 1 . 2]" 2
441 1 74 ARG HA 1 75 PHE QE 4.700 . 6.000 5.913 5.549 6.092 0.092 11 0 "[ . 1 . 2]" 2
442 1 74 ARG HD3 1 75 PHE QD 2.900 . 4.100 3.361 1.684 4.542 0.442 1 0 "[ . 1 . 2]" 2
443 1 74 ARG HB2 1 75 PHE QD 6.000 . 6.000 4.329 4.049 4.682 . 0 0 "[ . 1 . 2]" 2
444 1 74 ARG HB3 1 75 PHE QE 3.500 . 5.200 4.857 4.202 5.277 0.077 20 0 "[ . 1 . 2]" 2
445 1 74 ARG HG2 1 75 PHE QE 3.600 . 5.400 3.915 2.561 5.437 0.037 2 0 "[ . 1 . 2]" 2
446 1 74 ARG HG2 1 75 PHE QD 3.700 . 5.600 2.815 1.395 4.375 0.405 17 0 "[ . 1 . 2]" 2
447 1 61 TRP HZ2 1 70 LYS QE 4.000 . 6.000 4.143 3.310 4.645 . 0 0 "[ . 1 . 2]" 2
448 1 61 TRP HE3 1 63 ARG HA 6.000 . 6.000 5.825 5.003 6.092 0.092 11 0 "[ . 1 . 2]" 2
449 1 61 TRP HE3 1 72 ALA HA 3.700 . 5.600 3.947 3.553 4.828 . 0 0 "[ . 1 . 2]" 2
450 1 60 SER QB 1 61 TRP HE3 4.300 . 6.000 5.842 5.432 6.113 0.113 11 0 "[ . 1 . 2]" 2
451 1 61 TRP HE3 1 70 LYS QE 4.200 . 6.000 3.739 2.865 5.487 . 0 0 "[ . 1 . 2]" 2
452 1 61 TRP HE3 1 70 LYS QB 3.100 . 4.500 2.363 1.692 3.610 0.008 13 0 "[ . 1 . 2]" 2
453 1 61 TRP HE3 1 70 LYS QD 4.000 . 6.000 4.131 3.263 5.691 . 0 0 "[ . 1 . 2]" 2
454 1 61 TRP HE3 1 70 LYS HG3 6.000 . 6.000 4.088 2.352 5.533 . 0 0 "[ . 1 . 2]" 2
455 1 59 LEU HA 1 61 TRP HE1 6.000 . 6.000 3.555 2.287 5.879 . 0 0 "[ . 1 . 2]" 2
456 1 60 SER HA 1 61 TRP HE1 6.000 . 6.000 5.897 5.275 6.087 0.087 19 0 "[ . 1 . 2]" 2
457 1 61 TRP HE1 1 70 LYS QE 4.400 . 6.000 5.320 4.158 5.813 . 0 0 "[ . 1 . 2]" 2
458 1 59 LEU HB3 1 61 TRP HE1 3.900 . 6.000 3.772 2.407 5.365 . 0 0 "[ . 1 . 2]" 2
459 1 88 CYS HA 1 90 LYS H 3.500 . 5.300 4.337 3.924 4.788 . 0 0 "[ . 1 . 2]" 2
460 1 89 LEU HB3 1 90 LYS H 6.000 . 6.000 4.246 4.104 4.385 . 0 0 "[ . 1 . 2]" 2
461 1 118 TYR QD 1 122 PHE QD 3.100 . 4.500 2.438 1.908 3.413 . 0 0 "[ . 1 . 2]" 2
462 1 118 TYR QD 1 122 PHE QE 3.700 . 5.600 4.072 3.419 5.180 . 0 0 "[ . 1 . 2]" 2
463 1 118 TYR QE 1 122 PHE QD 3.500 . 5.200 3.134 2.552 3.929 . 0 0 "[ . 1 . 2]" 2
464 1 118 TYR QE 1 122 PHE QE 3.900 . 6.000 4.655 4.026 5.457 . 0 0 "[ . 1 . 2]" 2
465 1 118 TYR HA 1 122 PHE QD 2.800 . 4.000 3.259 2.392 3.947 . 0 0 "[ . 1 . 2]" 2
466 1 109 SER HB2 1 122 PHE QE 2.900 . 4.100 4.162 3.721 4.738 0.638 11 1 "[ . 1+ . 2]" 2
467 1 122 PHE HB3 1 122 PHE QD 2.400 . 3.300 2.410 2.321 2.479 . 0 0 "[ . 1 . 2]" 2
468 1 87 ARG HB2 1 87 ARG HE 3.300 . 4.900 2.739 2.071 3.484 . 0 0 "[ . 1 . 2]" 2
469 1 121 LEU HB2 1 122 PHE QD 3.200 . 4.700 3.415 2.486 4.027 . 0 0 "[ . 1 . 2]" 2
470 1 108 LYS HD2 1 122 PHE QD 3.700 . 5.600 3.676 2.994 5.118 . 0 0 "[ . 1 . 2]" 2
471 1 121 LEU HB3 1 122 PHE QD 3.300 . 4.900 2.525 1.874 3.218 . 0 0 "[ . 1 . 2]" 2
472 1 121 LEU HB3 1 122 PHE QE 3.500 . 5.200 3.227 2.845 3.482 . 0 0 "[ . 1 . 2]" 2
473 1 74 ARG HB3 1 74 ARG HD3 3.500 . 5.300 3.053 1.953 4.146 . 0 0 "[ . 1 . 2]" 2
474 1 65 ALA MB 1 82 SER HB3 2.300 . 3.100 2.592 2.035 3.103 0.003 17 0 "[ . 1 . 2]" 2
475 1 65 ALA MB 1 82 SER HB2 2.600 . 3.700 2.453 2.059 2.955 . 0 0 "[ . 1 . 2]" 2
476 1 65 ALA MB 1 66 GLY HA3 4.100 . 6.000 4.237 3.845 4.567 . 0 0 "[ . 1 . 2]" 2
477 1 64 CYS HA 1 65 ALA MB 3.100 . 4.500 3.886 3.737 4.028 . 0 0 "[ . 1 . 2]" 2
478 1 65 ALA MB 1 82 SER HA 3.600 . 5.400 4.314 3.818 4.914 . 0 0 "[ . 1 . 2]" 2
479 1 81 ASP HA 1 81 ASP HB2 2.300 . 3.100 2.470 2.236 2.769 . 0 0 "[ . 1 . 2]" 2
480 1 81 ASP HA 1 81 ASP HB3 2.700 . 3.800 2.817 2.554 3.024 . 0 0 "[ . 1 . 2]" 2
481 1 70 LYS HB2 1 70 LYS HE2 3.400 . 5.100 2.782 1.971 3.639 . 0 0 "[ . 1 . 2]" 2
482 1 70 LYS QE 1 70 LYS HG2 2.800 . 4.000 2.937 2.109 3.543 . 0 0 "[ . 1 . 2]" 2
483 1 75 PHE HA 1 76 LEU HG 3.500 . 5.200 4.159 3.556 5.221 0.021 12 0 "[ . 1 . 2]" 2
484 1 74 ARG HG2 1 75 PHE HA 4.100 . 6.000 4.647 3.778 5.713 . 0 0 "[ . 1 . 2]" 2
485 1 75 PHE HA 1 76 LEU HB3 4.200 . 6.000 5.120 4.506 5.677 . 0 0 "[ . 1 . 2]" 2
486 1 77 LEU HA 1 78 TYR HB2 6.000 . 6.000 4.092 3.988 4.218 . 0 0 "[ . 1 . 2]" 2
487 1 78 TYR HA 1 79 ALA MB 3.300 . 4.900 3.985 3.840 4.153 . 0 0 "[ . 1 . 2]" 2
488 1 118 TYR HA 1 121 LEU HB3 6.000 . 6.000 3.811 3.288 4.533 . 0 0 "[ . 1 . 2]" 2
489 1 84 TRP HA 1 84 TRP HB2 2.900 . 4.200 3.011 2.985 3.024 . 0 0 "[ . 1 . 2]" 2
490 1 90 LYS HA 1 98 LEU HG 2.900 . 4.100 3.532 2.100 4.288 0.188 4 0 "[ . 1 . 2]" 2
491 1 90 LYS HA 1 98 LEU HB3 6.000 . 6.000 4.273 2.119 5.390 . 0 0 "[ . 1 . 2]" 2
492 1 90 LYS QE 1 90 LYS HG3 3.000 . 4.300 2.521 2.001 3.200 . 0 0 "[ . 1 . 2]" 2
493 1 98 LEU HA 1 98 LEU HB2 2.200 . 3.000 2.937 2.298 3.019 0.019 16 0 "[ . 1 . 2]" 2
494 1 114 CYS HA 1 115 ARG HB2 6.000 . 6.000 5.021 4.428 5.837 . 0 0 "[ . 1 . 2]" 2
495 1 122 PHE HA 1 122 PHE HB3 2.800 . 4.000 2.475 2.378 2.568 . 0 0 "[ . 1 . 2]" 2
496 1 115 ARG HB2 1 115 ARG QD 2.600 . 3.700 2.728 1.913 3.573 . 0 0 "[ . 1 . 2]" 2
497 1 115 ARG HB3 1 115 ARG QD 2.500 . 3.500 2.605 1.954 3.234 . 0 0 "[ . 1 . 2]" 2
498 1 120 ARG HD2 1 120 ARG HG3 2.900 . 4.200 2.546 2.219 3.003 . 0 0 "[ . 1 . 2]" 2
499 1 108 LYS HB2 1 108 LYS HD2 3.300 . 4.900 2.686 2.383 3.255 . 0 0 "[ . 1 . 2]" 2
500 1 108 LYS HD3 1 108 LYS HE2 2.600 . 3.600 2.119 1.922 2.202 . 0 0 "[ . 1 . 2]" 2
501 1 108 LYS QE 1 108 LYS HG2 3.400 . 5.100 2.506 2.050 3.096 . 0 0 "[ . 1 . 2]" 2
502 1 84 TRP HB3 1 89 LEU HG 3.200 . 4.700 3.091 2.259 5.412 0.712 3 1 "[ + . 1 . 2]" 2
503 1 89 LEU HB3 1 89 LEU HG 2.200 . 3.000 2.839 2.410 2.997 . 0 0 "[ . 1 . 2]" 2
504 1 88 CYS HA 1 90 LYS QE 3.000 . 4.300 3.301 2.156 4.342 0.042 8 0 "[ . 1 . 2]" 2
505 1 117 ASP HA 1 120 ARG HB3 2.900 . 4.200 3.161 2.478 4.135 . 0 0 "[ . 1 . 2]" 2
506 1 117 ASP HA 1 120 ARG HB2 2.800 . 4.000 2.993 1.704 4.228 0.228 6 0 "[ . 1 . 2]" 2
507 1 90 LYS QD 1 95 GLN HA 6.000 . 6.000 2.868 2.225 3.726 . 0 0 "[ . 1 . 2]" 2
508 1 94 CYS HA 1 95 GLN HG3 6.000 . 6.000 5.526 4.708 6.062 0.062 1 0 "[ . 1 . 2]" 2
509 1 78 TYR QE 1 81 ASP H 3.200 . 4.700 4.710 4.284 4.789 0.089 15 0 "[ . 1 . 2]" 2
510 1 111 MET ME 1 122 PHE QE 2.600 . 3.700 2.858 2.146 3.570 . 0 0 "[ . 1 . 2]" 2
511 1 111 MET ME 1 122 PHE HZ 2.700 . 3.800 2.474 1.832 3.827 0.027 19 0 "[ . 1 . 2]" 2
512 1 64 CYS HB2 1 85 HIS HE1 6.000 . 6.000 5.372 4.625 6.288 0.288 11 0 "[ . 1 . 2]" 2
513 1 64 CYS HB3 1 85 HIS HE1 6.000 . 6.000 5.519 4.997 6.060 0.060 14 0 "[ . 1 . 2]" 2
514 1 80 MET HB2 1 80 MET QG 2.300 . 3.100 2.387 2.179 2.520 . 0 0 "[ . 1 . 2]" 2
515 1 108 LYS QE 1 122 PHE QD 2.700 . 3.800 3.688 2.722 3.840 0.040 6 0 "[ . 1 . 2]" 2
516 1 65 ALA H 1 84 TRP HA 6.000 . 6.000 3.659 3.308 4.508 . 0 0 "[ . 1 . 2]" 2
517 1 74 ARG HE 1 74 ARG HG2 3.000 . 4.300 3.074 2.097 3.857 . 0 0 "[ . 1 . 2]" 2
518 1 82 SER HB3 1 84 TRP HH2 6.000 . 6.000 5.604 5.040 6.029 0.029 15 0 "[ . 1 . 2]" 2
519 1 82 SER HB3 1 84 TRP HZ2 6.000 . 6.000 4.430 4.013 4.814 . 0 0 "[ . 1 . 2]" 2
520 1 82 SER HB2 1 84 TRP HZ2 6.000 . 6.000 3.422 2.595 3.936 . 0 0 "[ . 1 . 2]" 2
521 1 82 SER HB2 1 84 TRP HH2 6.000 . 6.000 4.746 4.170 5.249 . 0 0 "[ . 1 . 2]" 2
522 1 113 LEU HA 1 113 LEU HG 3.100 . 4.500 2.702 2.227 3.608 . 0 0 "[ . 1 . 2]" 2
523 1 92 SER H 1 113 LEU HG 6.000 . 6.000 4.118 3.277 5.273 . 0 0 "[ . 1 . 2]" 2
524 1 86 SER H 1 86 SER HA 2.900 . 4.100 2.774 2.716 2.848 . 0 0 "[ . 1 . 2]" 2
525 1 85 HIS HA 1 86 SER H 2.500 . 3.500 2.716 2.550 2.868 . 0 0 "[ . 1 . 2]" 2
526 1 85 HIS HA 1 87 ARG H 3.500 . 5.300 4.673 4.397 5.062 . 0 0 "[ . 1 . 2]" 2
527 1 86 SER HA 1 89 LEU H 6.000 . 6.000 4.047 3.723 4.548 . 0 0 "[ . 1 . 2]" 2
528 1 77 LEU H 1 77 LEU HG 3.000 . 4.300 3.275 1.810 4.381 0.081 4 0 "[ . 1 . 2]" 2
529 1 77 LEU HA 1 77 LEU HG 3.200 . 4.700 2.843 2.239 3.663 . 0 0 "[ . 1 . 2]" 2
530 1 77 LEU HG 1 78 TYR H 6.000 . 6.000 4.563 3.803 4.970 . 0 0 "[ . 1 . 2]" 2
531 1 78 TYR H 1 78 TYR QE 6.000 . 6.000 5.870 5.603 6.042 0.042 4 0 "[ . 1 . 2]" 2
532 1 80 MET ME 1 80 MET QG 3.300 . 4.900 2.244 1.989 2.679 . 0 0 "[ . 1 . 2]" 2
533 1 120 ARG HA 1 120 ARG HB3 2.600 . 3.600 2.884 2.503 3.024 . 0 0 "[ . 1 . 2]" 2
534 1 107 THR HA 1 112 ILE HA 3.700 . 5.600 3.882 2.808 4.802 . 0 0 "[ . 1 . 2]" 2
535 1 112 ILE HA 1 113 LEU HA 6.000 . 6.000 4.389 4.367 4.407 . 0 0 "[ . 1 . 2]" 2
536 1 91 CYS HA 1 113 LEU HA 3.000 . 4.300 2.764 2.402 3.397 . 0 0 "[ . 1 . 2]" 2
537 1 91 CYS HB2 1 113 LEU HA 6.000 . 6.000 3.587 2.100 4.029 . 0 0 "[ . 1 . 2]" 2
538 1 74 ARG HE 1 75 PHE QE 3.800 . 5.800 4.524 2.189 5.835 0.035 13 0 "[ . 1 . 2]" 2
539 1 62 LYS HG3 1 83 TYR QD 4.300 . 6.000 3.738 2.628 5.255 . 0 0 "[ . 1 . 2]" 2
540 1 61 TRP HH2 1 72 ALA HA 3.600 . 5.400 4.712 4.085 5.408 0.008 12 0 "[ . 1 . 2]" 2
541 1 106 TYR QE 1 115 ARG HG2 2.900 . 4.200 2.795 1.377 4.220 0.223 13 0 "[ . 1 . 2]" 2
542 1 113 LEU HB2 1 118 TYR QD 6.000 . 6.000 3.648 2.644 4.321 . 0 0 "[ . 1 . 2]" 2
543 1 111 MET HA 1 111 MET ME 6.000 . 6.000 4.429 3.851 4.857 . 0 0 "[ . 1 . 2]" 2
544 1 111 MET H 1 111 MET ME 6.000 . 6.000 4.215 3.400 5.019 . 0 0 "[ . 1 . 2]" 2
545 1 80 MET H 1 80 MET ME 6.000 . 6.000 3.836 2.805 5.132 . 0 0 "[ . 1 . 2]" 2
546 1 115 ARG HB2 1 115 ARG HG3 2.700 . 3.800 2.440 2.208 2.977 . 0 0 "[ . 1 . 2]" 2
547 1 94 CYS HB3 1 96 ALA H 6.000 . 6.000 4.089 2.378 4.978 . 0 0 "[ . 1 . 2]" 2
548 1 94 CYS HA 1 95 GLN HG2 6.000 . 6.000 5.359 4.199 6.020 0.020 7 0 "[ . 1 . 2]" 2
549 1 73 ASP H 1 85 HIS HD2 6.000 . 6.000 6.106 6.036 6.201 0.201 12 0 "[ . 1 . 2]" 2
550 1 90 LYS HA 1 98 LEU H 3.200 . 4.700 2.106 1.720 2.655 . 0 0 "[ . 1 . 2]" 2
551 1 98 LEU H 1 99 GLY H 6.000 . 6.000 2.444 2.060 2.653 . 0 0 "[ . 1 . 2]" 2
552 1 97 GLN HA 1 99 GLY H 6.000 . 6.000 3.333 3.024 3.602 . 0 0 "[ . 1 . 2]" 2
553 1 114 CYS HA 1 116 ASN H 6.000 . 6.000 4.505 4.157 5.093 . 0 0 "[ . 1 . 2]" 2
554 1 59 LEU H 1 59 LEU HB2 2.100 . 2.900 2.380 2.078 3.201 0.301 16 0 "[ . 1 . 2]" 2
555 1 61 TRP H 1 62 LYS H 3.400 . 5.100 4.339 3.722 4.643 . 0 0 "[ . 1 . 2]" 2
556 1 63 ARG HA 1 64 CYS H 1.600 . 2.200 2.177 2.105 2.246 0.046 16 0 "[ . 1 . 2]" 2
557 1 64 CYS H 1 64 CYS HB3 3.400 . 5.100 2.692 2.256 3.548 . 0 0 "[ . 1 . 2]" 2
558 1 69 GLY HA2 1 70 LYS H 6.000 . 6.000 3.106 2.521 3.518 . 0 0 "[ . 1 . 2]" 2
559 1 69 GLY HA3 1 70 LYS H 6.000 . 6.000 2.327 2.102 3.341 . 0 0 "[ . 1 . 2]" 2
560 1 70 LYS QB 1 71 ILE H 6.000 . 6.000 2.992 2.519 3.691 . 0 0 "[ . 1 . 2]" 2
561 1 74 ARG HB2 1 75 PHE H 4.400 . 6.000 3.395 2.688 3.802 . 0 0 "[ . 1 . 2]" 2
562 1 74 ARG HB3 1 75 PHE H 6.000 . 6.000 2.155 1.879 2.613 . 0 0 "[ . 1 . 2]" 2
563 1 83 TYR HA 1 84 TRP H 6.000 . 6.000 2.166 2.128 2.206 . 0 0 "[ . 1 . 2]" 2
564 1 89 LEU H 1 90 LYS H 6.000 . 6.000 3.875 3.629 4.121 . 0 0 "[ . 1 . 2]" 2
565 1 90 LYS HB3 1 91 CYS H 6.000 . 6.000 3.299 2.201 3.703 . 0 0 "[ . 1 . 2]" 2
566 1 66 GLY HA2 1 67 CYS H 6.000 . 6.000 3.557 3.472 3.595 . 0 0 "[ . 1 . 2]" 2
567 1 94 CYS HB3 1 95 GLN H 4.300 . 6.000 4.142 3.710 4.449 . 0 0 "[ . 1 . 2]" 2
568 1 94 CYS HA 1 95 GLN H 3.100 . 4.500 3.348 3.195 3.489 . 0 0 "[ . 1 . 2]" 2
569 1 95 GLN H 1 95 GLN HB2 3.600 . 5.400 3.313 3.104 3.587 . 0 0 "[ . 1 . 2]" 2
570 1 96 ALA MB 1 97 GLN H 2.900 . 4.200 3.014 2.554 3.429 . 0 0 "[ . 1 . 2]" 2
571 1 98 LEU HA 1 99 GLY H 3.600 . 5.400 3.387 3.125 3.467 . 0 0 "[ . 1 . 2]" 2
572 1 98 LEU HB2 1 99 GLY H 6.000 . 6.000 3.356 3.009 4.284 . 0 0 "[ . 1 . 2]" 2
573 1 99 GLY H 1 99 GLY QA 1.600 . 2.200 2.225 2.189 2.275 0.075 8 0 "[ . 1 . 2]" 2
574 1 99 GLY HA3 1 100 ASP H 3.100 . 4.500 3.022 2.624 3.290 . 0 0 "[ . 1 . 2]" 2
575 1 101 ILE HB 1 102 GLY H 3.200 . 4.700 3.301 1.606 4.309 0.094 3 0 "[ . 1 . 2]" 2
576 1 103 THR HB 1 104 SER H 2.700 . 3.800 3.645 3.233 3.887 0.087 13 0 "[ . 1 . 2]" 2
577 1 104 SER HA 1 105 SER H 2.800 . 4.000 2.212 2.130 2.453 . 0 0 "[ . 1 . 2]" 2
578 1 106 TYR HA 1 107 THR H 3.000 . 4.400 2.344 2.210 2.504 . 0 0 "[ . 1 . 2]" 2
579 1 109 SER H 1 109 SER HB2 3.700 . 5.600 3.066 2.789 3.684 . 0 0 "[ . 1 . 2]" 2
580 1 109 SER HB3 1 110 GLY H 6.000 . 6.000 4.620 4.514 4.692 . 0 0 "[ . 1 . 2]" 2
581 1 110 GLY HA3 1 111 MET H 3.400 . 5.000 3.358 3.004 3.509 . 0 0 "[ . 1 . 2]" 2
582 1 110 GLY HA2 1 111 MET H 3.300 . 4.900 3.127 2.932 3.467 . 0 0 "[ . 1 . 2]" 2
583 1 111 MET H 1 111 MET HB3 3.500 . 5.200 3.401 2.757 3.854 . 0 0 "[ . 1 . 2]" 2
584 1 113 LEU H 1 113 LEU HB3 3.600 . 5.500 3.663 3.296 3.882 . 0 0 "[ . 1 . 2]" 2
585 1 113 LEU HB3 1 114 CYS H 6.000 . 6.000 2.822 2.431 3.082 . 0 0 "[ . 1 . 2]" 2
586 1 114 CYS H 1 114 CYS HB3 3.300 . 4.800 2.650 2.512 3.661 . 0 0 "[ . 1 . 2]" 2
587 1 114 CYS HB2 1 115 ARG H 3.300 . 4.900 2.238 2.059 2.603 . 0 0 "[ . 1 . 2]" 2
588 1 114 CYS HA 1 115 ARG H 3.200 . 4.700 2.522 2.355 2.753 . 0 0 "[ . 1 . 2]" 2
589 1 115 ARG H 1 116 ASN H 2.300 . 3.200 2.706 2.558 2.956 . 0 0 "[ . 1 . 2]" 2
590 1 115 ARG HA 1 116 ASN H 6.000 . 6.000 3.515 3.445 3.580 . 0 0 "[ . 1 . 2]" 2
591 1 114 CYS H 1 116 ASN H 6.000 . 6.000 5.077 4.719 5.587 . 0 0 "[ . 1 . 2]" 2
592 1 116 ASN HA 1 117 ASP H 3.700 . 5.600 3.516 3.459 3.546 . 0 0 "[ . 1 . 2]" 2
593 1 116 ASN H 1 117 ASP H 2.600 . 3.600 2.457 2.336 2.586 . 0 0 "[ . 1 . 2]" 2
594 1 117 ASP HB2 1 118 TYR H 3.500 . 5.200 3.138 2.978 3.426 . 0 0 "[ . 1 . 2]" 2
595 1 117 ASP HB3 1 118 TYR H 6.000 . 6.000 3.162 2.651 4.269 . 0 0 "[ . 1 . 2]" 2
596 1 117 ASP HA 1 118 TYR H 2.700 . 3.800 3.531 3.462 3.563 . 0 0 "[ . 1 . 2]" 2
597 1 118 TYR HA 1 119 ILE H 3.100 . 4.500 3.545 3.529 3.562 . 0 0 "[ . 1 . 2]" 2
598 1 119 ILE H 1 120 ARG H 3.200 . 4.700 2.554 2.446 2.659 . 0 0 "[ . 1 . 2]" 2
599 1 119 ILE HB 1 120 ARG H 6.000 . 6.000 2.793 2.610 2.987 . 0 0 "[ . 1 . 2]" 2
600 1 62 LYS HA 1 63 ARG H 6.000 . 6.000 2.198 2.122 2.386 . 0 0 "[ . 1 . 2]" 2
601 1 62 LYS HB2 1 63 ARG H 6.000 . 6.000 4.281 3.838 4.499 . 0 0 "[ . 1 . 2]" 2
602 1 62 LYS HB3 1 63 ARG H 6.000 . 6.000 3.363 2.801 3.988 . 0 0 "[ . 1 . 2]" 2
603 1 62 LYS QD 1 63 ARG H 6.000 . 6.000 3.923 2.663 4.672 . 0 0 "[ . 1 . 2]" 2
604 1 108 LYS H 1 111 MET HB2 6.000 . 6.000 4.545 3.620 5.326 . 0 0 "[ . 1 . 2]" 2
605 1 108 LYS H 1 108 LYS HD3 6.000 . 6.000 5.664 5.228 6.044 0.044 17 0 "[ . 1 . 2]" 2
606 1 120 ARG H 1 120 ARG HG3 3.400 . 5.100 3.987 2.808 4.592 . 0 0 "[ . 1 . 2]" 2
607 1 98 LEU HG 1 99 GLY H 6.000 . 6.000 4.670 3.586 5.551 . 0 0 "[ . 1 . 2]" 2
608 1 59 LEU HB2 1 60 SER H 2.900 . 4.100 3.789 3.280 4.216 0.116 11 0 "[ . 1 . 2]" 2
609 1 59 LEU HB3 1 60 SER H 3.100 . 4.500 3.571 1.671 4.409 0.029 4 0 "[ . 1 . 2]" 2
610 1 80 MET HA 1 81 ASP H 6.000 . 6.000 3.305 2.508 3.578 . 0 0 "[ . 1 . 2]" 2
611 1 111 MET HG3 1 112 ILE H 6.000 . 6.000 4.242 2.633 5.534 . 0 0 "[ . 1 . 2]" 2
612 1 111 MET HG2 1 112 ILE H 6.000 . 6.000 3.804 2.451 5.012 . 0 0 "[ . 1 . 2]" 2
613 1 115 ARG H 1 115 ARG QD 6.000 . 6.000 4.014 2.506 4.916 . 0 0 "[ . 1 . 2]" 2
614 1 115 ARG QD 1 116 ASN H 6.000 . 6.000 4.486 2.467 5.491 . 0 0 "[ . 1 . 2]" 2
615 1 96 ALA H 1 97 GLN H 3.600 . 5.400 4.524 4.316 4.634 . 0 0 "[ . 1 . 2]" 2
616 1 120 ARG H 1 120 ARG HD3 6.000 . 6.000 5.037 3.912 5.917 . 0 0 "[ . 1 . 2]" 2
617 1 120 ARG H 1 120 ARG HD2 6.000 . 6.000 5.059 2.825 5.973 . 0 0 "[ . 1 . 2]" 2
618 1 60 SER H 1 61 TRP H 1.600 . 2.200 2.205 2.024 2.278 0.078 16 0 "[ . 1 . 2]" 2
619 1 91 CYS HB3 1 94 CYS H 4.000 . 6.000 2.673 2.070 4.498 . 0 0 "[ . 1 . 2]" 2
620 1 64 CYS HB3 1 67 CYS H 5.500 . 6.000 4.480 2.458 5.907 . 0 0 "[ . 1 . 2]" 2
621 1 91 CYS HB3 1 95 GLN H 3.700 . 5.600 2.563 1.724 4.740 0.076 2 0 "[ . 1 . 2]" 2
622 1 90 LYS HB2 1 95 GLN H 6.000 . 6.000 4.415 3.853 5.513 . 0 0 "[ . 1 . 2]" 2
623 1 94 CYS H 1 96 ALA H 3.500 . 5.200 3.652 3.388 4.063 . 0 0 "[ . 1 . 2]" 2
624 1 98 LEU HB3 1 99 GLY H 3.300 . 4.800 3.892 3.144 4.409 . 0 0 "[ . 1 . 2]" 2
625 1 86 SER HA 1 100 ASP H 3.600 . 5.400 4.331 2.850 5.468 0.068 17 0 "[ . 1 . 2]" 2
626 1 100 ASP HA 1 102 GLY H 5.400 . 6.000 5.691 4.570 6.159 0.159 14 0 "[ . 1 . 2]" 2
627 1 106 TYR H 1 106 TYR QD 3.100 . 4.500 3.088 2.613 3.468 . 0 0 "[ . 1 . 2]" 2
628 1 106 TYR H 1 113 LEU H 3.500 . 5.200 3.626 3.134 4.801 . 0 0 "[ . 1 . 2]" 2
629 1 106 TYR QD 1 107 THR H 3.600 . 5.400 3.770 3.536 4.283 . 0 0 "[ . 1 . 2]" 2
630 1 108 LYS H 1 111 MET H 3.300 . 4.900 3.039 2.715 3.775 . 0 0 "[ . 1 . 2]" 2
631 1 108 LYS HG3 1 109 SER H 3.500 . 5.300 4.611 4.223 5.083 . 0 0 "[ . 1 . 2]" 2
632 1 106 TYR QE 1 115 ARG H 3.300 . 4.900 4.568 4.049 4.941 0.041 1 0 "[ . 1 . 2]" 2
633 1 115 ARG HA 1 118 TYR H 6.000 . 6.000 4.081 3.905 4.307 . 0 0 "[ . 1 . 2]" 2
634 1 113 LEU HB2 1 118 TYR H 4.900 . 6.000 3.940 3.020 4.742 . 0 0 "[ . 1 . 2]" 2
635 1 117 ASP HA 1 120 ARG H 3.300 . 4.800 3.402 2.897 3.730 . 0 0 "[ . 1 . 2]" 2
636 1 122 PHE H 1 122 PHE QD 2.100 . 2.800 2.793 2.258 2.868 0.068 5 0 "[ . 1 . 2]" 2
637 1 63 ARG HA 1 71 ILE H 6.000 . 6.000 3.372 2.787 3.860 . 0 0 "[ . 1 . 2]" 2
638 1 64 CYS HB3 1 69 GLY H 6.000 . 6.000 3.836 2.760 6.253 0.253 14 0 "[ . 1 . 2]" 2
639 1 63 ARG QD 1 71 ILE H 6.000 . 6.000 5.509 4.560 6.127 0.127 16 0 "[ . 1 . 2]" 2
640 1 73 ASP HB2 1 75 PHE H 6.000 . 6.000 4.861 4.083 5.445 . 0 0 "[ . 1 . 2]" 2
641 1 73 ASP HA 1 75 PHE H 4.800 . 6.000 5.120 4.492 5.874 . 0 0 "[ . 1 . 2]" 2
642 1 77 LEU H 1 84 TRP HB2 3.700 . 5.600 3.514 3.119 3.932 . 0 0 "[ . 1 . 2]" 2
643 1 79 ALA H 1 84 TRP HE1 6.000 . 6.000 2.527 2.195 2.872 . 0 0 "[ . 1 . 2]" 2
644 1 79 ALA HA 1 81 ASP H 6.000 . 6.000 5.142 4.091 6.064 0.064 19 0 "[ . 1 . 2]" 2
645 1 83 TYR QD 1 84 TRP H 6.000 . 6.000 4.090 3.327 4.943 . 0 0 "[ . 1 . 2]" 2
646 1 76 LEU HB3 1 84 TRP H 6.000 . 6.000 4.498 3.748 5.401 . 0 0 "[ . 1 . 2]" 2
647 1 64 CYS HA 1 85 HIS H 6.000 . 6.000 5.592 4.680 6.033 0.033 14 0 "[ . 1 . 2]" 2
648 1 86 SER H 1 88 CYS H 6.000 . 6.000 4.171 3.976 4.638 . 0 0 "[ . 1 . 2]" 2
649 1 85 HIS HB3 1 87 ARG H 6.000 . 6.000 4.739 4.383 5.281 . 0 0 "[ . 1 . 2]" 2
650 1 85 HIS HB2 1 88 CYS H 6.000 . 6.000 4.381 4.054 4.711 . 0 0 "[ . 1 . 2]" 2
651 1 91 CYS H 1 95 GLN HA 6.000 . 6.000 3.647 2.861 4.397 . 0 0 "[ . 1 . 2]" 2
652 1 91 CYS H 1 98 LEU HG 6.000 . 6.000 3.705 2.277 5.046 . 0 0 "[ . 1 . 2]" 2
653 1 90 LYS HG2 1 91 CYS H 6.000 . 6.000 4.969 3.873 5.423 . 0 0 "[ . 1 . 2]" 2
654 1 91 CYS H 1 96 ALA H 6.000 . 6.000 3.107 2.656 3.659 . 0 0 "[ . 1 . 2]" 2
655 1 92 SER H 1 94 CYS H 6.000 . 6.000 4.446 4.090 4.676 . 0 0 "[ . 1 . 2]" 2
656 1 93 SER H 1 113 LEU HA 6.000 . 6.000 3.851 3.569 4.642 . 0 0 "[ . 1 . 2]" 2
657 1 119 ILE HA 1 122 PHE H 6.000 . 6.000 3.950 3.470 4.242 . 0 0 "[ . 1 . 2]" 2
658 1 122 PHE HB3 1 123 GLY H 6.000 . 6.000 2.758 2.085 3.402 . 0 0 "[ . 1 . 2]" 2
659 1 119 ILE HA 1 123 GLY H 6.000 . 6.000 3.315 2.457 4.318 . 0 0 "[ . 1 . 2]" 2
660 1 85 HIS H 1 89 LEU HB2 6.000 . 6.000 3.662 2.926 4.732 . 0 0 "[ . 1 . 2]" 2
661 1 90 LYS HB2 1 91 CYS H 6.000 . 6.000 2.722 2.239 3.846 . 0 0 "[ . 1 . 2]" 2
662 1 90 LYS HB3 1 95 GLN H 6.000 . 6.000 5.671 4.214 6.069 0.069 20 0 "[ . 1 . 2]" 2
663 1 97 GLN HA 1 98 LEU H 3.300 . 4.900 2.214 2.131 2.357 . 0 0 "[ . 1 . 2]" 2
664 1 97 GLN HB2 1 98 LEU H 6.000 . 6.000 4.469 4.076 4.603 . 0 0 "[ . 1 . 2]" 2
665 1 97 GLN HB3 1 98 LEU H 6.000 . 6.000 3.920 3.434 4.211 . 0 0 "[ . 1 . 2]" 2
666 1 61 TRP HE1 1 70 LYS HE3 6.000 . 6.000 5.892 5.180 6.624 0.624 10 1 "[ . + . 2]" 2
667 1 82 SER H 1 84 TRP HH2 6.000 . 6.000 6.046 5.932 6.115 0.115 6 0 "[ . 1 . 2]" 2
668 1 80 MET QG 1 82 SER H 6.000 . 6.000 4.758 2.603 5.485 . 0 0 "[ . 1 . 2]" 2
669 1 77 LEU HA 1 77 LEU HB2 2.400 . 3.300 2.985 2.778 3.022 . 0 0 "[ . 1 . 2]" 2
670 1 113 LEU HA 1 113 LEU HB2 2.700 . 3.800 2.969 2.855 3.020 . 0 0 "[ . 1 . 2]" 2
671 1 113 LEU HA 1 113 LEU HB3 2.400 . 3.300 2.560 2.288 2.836 . 0 0 "[ . 1 . 2]" 2
672 1 90 LYS HA 1 90 LYS HG3 2.900 . 4.200 3.471 3.058 3.798 . 0 0 "[ . 1 . 2]" 2
673 1 90 LYS HA 1 90 LYS QD 2.800 . 4.000 3.873 3.527 4.017 0.017 3 0 "[ . 1 . 2]" 2
674 1 108 LYS HA 1 108 LYS HG2 2.400 . 3.300 2.601 2.153 3.133 . 0 0 "[ . 1 . 2]" 2
675 1 108 LYS HA 1 108 LYS HB2 2.600 . 3.600 2.681 2.578 2.801 . 0 0 "[ . 1 . 2]" 2
676 1 108 LYS HA 1 108 LYS HG3 2.200 . 3.000 2.620 2.196 3.297 0.297 14 0 "[ . 1 . 2]" 2
677 1 78 TYR HA 1 78 TYR QE 3.100 . 4.500 4.169 3.969 4.396 . 0 0 "[ . 1 . 2]" 2
678 1 78 TYR HA 1 78 TYR HB3 2.300 . 3.100 2.809 2.720 2.902 . 0 0 "[ . 1 . 2]" 2
679 1 78 TYR HA 1 78 TYR HB2 2.100 . 2.900 2.890 2.791 2.961 0.061 7 0 "[ . 1 . 2]" 2
680 1 98 LEU HA 1 98 LEU HG 4.300 . 6.000 2.846 2.476 3.284 . 0 0 "[ . 1 . 2]" 2
681 1 76 LEU HA 1 76 LEU HB3 2.200 . 3.000 2.396 2.224 2.713 . 0 0 "[ . 1 . 2]" 2
682 1 76 LEU HA 1 76 LEU HB2 2.900 . 4.100 2.724 2.389 3.009 . 0 0 "[ . 1 . 2]" 2
683 1 103 THR HA 1 103 THR HB 2.700 . 3.800 2.908 2.746 2.998 . 0 0 "[ . 1 . 2]" 2
684 1 62 LYS HA 1 62 LYS QD 2.100 . 2.800 2.352 1.399 2.821 0.021 17 0 "[ . 1 . 2]" 2
685 1 120 ARG HD3 1 120 ARG HG3 2.000 . 2.700 2.684 2.320 3.010 0.310 5 0 "[ . 1 . 2]" 2
686 1 120 ARG HD2 1 120 ARG HG2 2.100 . 2.800 2.682 2.316 3.010 0.210 5 0 "[ . 1 . 2]" 2
687 1 74 ARG HA 1 74 ARG HG3 3.500 . 5.200 2.778 2.223 3.284 . 0 0 "[ . 1 . 2]" 2
688 1 62 LYS HA 1 62 LYS HG3 2.300 . 3.200 2.896 2.192 3.917 0.717 16 5 "[* . - *+ *]" 2
689 1 62 LYS QE 1 62 LYS HG3 2.200 . 3.000 2.533 1.958 2.985 . 0 0 "[ . 1 . 2]" 2
690 1 74 ARG HD3 1 74 ARG HG2 2.400 . 3.300 2.471 2.211 2.906 . 0 0 "[ . 1 . 2]" 2
691 1 74 ARG HB2 1 74 ARG HD3 3.300 . 4.800 3.319 2.084 3.956 . 0 0 "[ . 1 . 2]" 2
692 1 88 CYS HA 1 88 CYS HB2 2.500 . 3.500 2.896 2.780 3.009 . 0 0 "[ . 1 . 2]" 2
693 1 88 CYS HA 1 88 CYS HB3 2.700 . 3.800 2.771 2.521 2.903 . 0 0 "[ . 1 . 2]" 2
694 1 74 ARG HB2 1 74 ARG HG2 2.700 . 3.800 2.878 2.410 3.013 . 0 0 "[ . 1 . 2]" 2
695 1 74 ARG HD2 1 74 ARG HG2 2.400 . 3.300 2.785 2.276 3.013 . 0 0 "[ . 1 . 2]" 2
696 1 74 ARG HA 1 74 ARG HG2 3.000 . 4.400 2.861 1.997 3.803 . 0 0 "[ . 1 . 2]" 2
697 1 96 ALA MB 1 114 CYS HB3 6.000 . 6.000 3.576 2.260 5.163 . 0 0 "[ . 1 . 2]" 2
698 1 62 LYS QE 1 62 LYS HG2 2.300 . 3.200 2.382 1.966 2.891 . 0 0 "[ . 1 . 2]" 2
699 1 109 SER HB2 1 111 MET ME 2.500 . 3.500 2.934 1.895 3.531 0.031 10 0 "[ . 1 . 2]" 2
700 1 79 ALA MB 1 84 TRP HD1 3.500 . 5.200 3.044 2.742 3.427 . 0 0 "[ . 1 . 2]" 2
701 1 79 ALA MB 1 80 MET ME 6.000 . 6.000 3.301 2.493 4.219 . 0 0 "[ . 1 . 2]" 2
702 1 67 CYS HB3 1 87 ARG QD 6.000 . 6.000 4.892 3.740 6.037 0.037 8 0 "[ . 1 . 2]" 2
703 1 74 ARG HD2 1 74 ARG HG3 3.000 . 4.300 2.637 2.216 3.016 . 0 0 "[ . 1 . 2]" 2
704 1 91 CYS HA 1 91 CYS HB3 2.700 . 3.800 2.998 2.473 3.038 . 0 0 "[ . 1 . 2]" 2
705 1 91 CYS HA 1 91 CYS HB2 2.900 . 4.200 2.460 2.340 2.527 . 0 0 "[ . 1 . 2]" 2
706 1 91 CYS HB3 1 96 ALA MB 5.500 . 6.000 3.192 2.503 3.700 . 0 0 "[ . 1 . 2]" 2
707 1 91 CYS HB2 1 96 ALA MB 2.600 . 3.700 3.429 2.131 4.256 0.556 16 1 "[ . 1 .+ 2]" 2
708 1 93 SER HB3 1 117 ASP HB3 6.000 . 6.000 4.284 3.125 5.805 . 0 0 "[ . 1 . 2]" 2
709 1 93 SER HB2 1 117 ASP HB3 6.000 . 6.000 3.619 2.842 4.733 . 0 0 "[ . 1 . 2]" 2
710 1 63 ARG HA 1 63 ARG HG3 2.800 . 4.000 3.048 2.143 3.583 . 0 0 "[ . 1 . 2]" 2
711 1 73 ASP HA 1 73 ASP HB3 2.000 . 2.700 2.826 2.546 3.029 0.329 9 0 "[ . 1 . 2]" 2
712 1 107 THR HB 1 108 LYS HB2 6.000 . 6.000 6.034 6.004 6.093 0.093 14 0 "[ . 1 . 2]" 2
713 1 108 LYS HB2 1 118 TYR QE 3.200 . 4.700 2.162 1.764 3.018 . 0 0 "[ . 1 . 2]" 2
714 1 108 LYS HB3 1 118 TYR QE 2.600 . 3.600 3.144 2.602 3.607 0.007 10 0 "[ . 1 . 2]" 2
715 1 119 ILE HA 1 123 GLY HA3 2.900 . 4.100 3.389 2.777 4.115 0.015 12 0 "[ . 1 . 2]" 2
716 1 119 ILE HA 1 123 GLY HA2 2.900 . 4.100 2.493 1.687 3.400 0.013 8 0 "[ . 1 . 2]" 2
717 1 80 MET QG 1 84 TRP HZ2 6.000 . 6.000 4.043 1.756 6.020 0.020 6 0 "[ . 1 . 2]" 2
718 1 79 ALA MB 1 80 MET QG 6.000 . 6.000 3.576 2.677 4.763 . 0 0 "[ . 1 . 2]" 2
719 1 79 ALA MB 1 80 MET HB2 6.000 . 6.000 3.718 2.945 4.777 . 0 0 "[ . 1 . 2]" 2
720 1 66 GLY HA2 1 84 TRP HZ3 6.000 . 6.000 3.038 2.351 3.851 . 0 0 "[ . 1 . 2]" 2
721 1 108 LYS QE 1 122 PHE QE 6.000 . 6.000 5.102 3.965 5.591 . 0 0 "[ . 1 . 2]" 2
722 1 109 SER HB3 1 111 MET ME 6.000 . 6.000 4.223 3.110 4.906 . 0 0 "[ . 1 . 2]" 2
723 1 62 LYS QE 1 83 TYR QD 6.000 . 6.000 4.198 3.205 5.120 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 1:28:22 PM GMT (wattos1)