Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
608067 | 2n71 RC | 25789 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n71
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 610
_Distance_constraint_stats_list.Viol_count 467
_Distance_constraint_stats_list.Viol_total 876.835
_Distance_constraint_stats_list.Viol_max 0.957
_Distance_constraint_stats_list.Viol_rms 0.0420
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.1252
_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 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 3 ASP 0.271 0.218 13 0 "[ . 1 .]"
1 4 CYS 0.727 0.101 10 0 "[ . 1 .]"
1 5 VAL 1.077 0.375 8 0 "[ . 1 .]"
1 6 GLY 1.526 0.194 1 0 "[ . 1 .]"
1 7 ARG 2.976 0.378 15 0 "[ . 1 .]"
1 8 LYS 3.695 0.718 2 1 "[ + . 1 .]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 10 CYS 1.097 0.957 9 1 "[ . +1 .]"
1 11 THR 0.121 0.099 9 0 "[ . 1 .]"
1 12 ARG 1.064 0.230 2 0 "[ . 1 .]"
1 13 GLU 2.089 0.386 14 0 "[ . 1 .]"
1 14 TRP 1.029 0.093 2 0 "[ . 1 .]"
1 15 TYR 6.904 0.425 4 0 "[ . 1 .]"
1 16 PRO 6.338 0.425 4 0 "[ . 1 .]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 .]"
1 18 CYS 3.831 0.191 13 0 "[ . 1 .]"
1 19 GLY 0.405 0.074 2 0 "[ . 1 .]"
1 20 SER 1.230 0.452 5 0 "[ . 1 .]"
1 21 ASP 0.071 0.032 12 0 "[ . 1 .]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 23 VAL 5.199 0.730 15 3 "[* -. 1 +]"
1 24 THR 2.005 0.245 4 0 "[ . 1 .]"
1 25 TYR 6.564 0.310 7 0 "[ . 1 .]"
1 26 SER 0.000 0.000 . 0 "[ . 1 .]"
1 27 ASN 4.321 0.386 14 0 "[ . 1 .]"
1 28 PRO 3.106 0.305 9 0 "[ . 1 .]"
1 29 CYS 0.623 0.106 10 0 "[ . 1 .]"
1 30 ASN 2.188 0.957 9 1 "[ . +1 .]"
1 31 PHE 2.513 0.735 2 1 "[ + . 1 .]"
1 32 SER 2.746 0.728 4 2 "[ +. 1 -]"
1 33 ALA 0.188 0.135 3 0 "[ . 1 .]"
1 34 GLN 2.322 0.375 8 0 "[ . 1 .]"
1 35 GLN 12.367 0.730 15 3 "[* -. 1 +]"
1 36 GLU 0.155 0.061 10 0 "[ . 1 .]"
1 37 GLN 0.977 0.135 3 0 "[ . 1 .]"
1 38 CYS 0.060 0.030 6 0 "[ . 1 .]"
1 39 ASP 0.894 0.160 15 0 "[ . 1 .]"
1 40 PRO 1.802 0.514 15 2 "[ -. 1 +]"
1 41 ASN 3.529 0.291 6 0 "[ . 1 .]"
1 42 ILE 1.032 0.160 15 0 "[ . 1 .]"
1 43 THR 1.339 0.452 5 0 "[ . 1 .]"
1 44 ILE 4.212 0.735 2 1 "[ + . 1 .]"
1 45 ALA 0.993 0.236 10 0 "[ . 1 .]"
1 46 HIS 2.391 0.169 8 0 "[ . 1 .]"
1 47 MET 0.136 0.032 1 0 "[ . 1 .]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 49 GLU 0.438 0.089 12 0 "[ . 1 .]"
1 50 CYS 3.118 0.245 4 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 19 GLY H 1 45 ALA H 4.500 . 6.000 4.610 4.430 4.724 . 0 0 "[ . 1 .]" 1
2 1 17 VAL H 1 27 ASN H 4.300 . 6.000 4.344 3.849 4.705 . 0 0 "[ . 1 .]" 1
3 1 15 TYR H 1 27 ASN HA 3.300 . 4.700 2.756 2.529 3.067 . 0 0 "[ . 1 .]" 1
4 1 38 CYS HB2 1 39 ASP H 2.400 . 3.100 2.142 1.817 2.614 . 0 0 "[ . 1 .]" 1
5 1 15 TYR HA 1 16 PRO HD2 2.700 . 3.600 2.315 2.263 2.401 . 0 0 "[ . 1 .]" 1
6 1 5 VAL HA 1 34 GLN HE22 3.200 . 4.500 3.682 3.188 4.085 . 0 0 "[ . 1 .]" 1
7 1 5 VAL HA 1 34 GLN HE21 2.700 . 3.600 3.412 3.036 3.975 0.375 8 0 "[ . 1 .]" 1
8 1 9 ALA H 1 10 CYS H 4.300 . 6.000 4.395 4.341 4.489 . 0 0 "[ . 1 .]" 1
9 1 27 ASN HA 1 27 ASN HB3 2.900 . 4.000 2.433 2.383 2.596 . 0 0 "[ . 1 .]" 1
10 1 27 ASN HA 1 27 ASN HB2 2.700 . 3.600 2.489 2.351 2.555 . 0 0 "[ . 1 .]" 1
11 1 15 TYR HB3 1 27 ASN HA 3.500 . 5.000 4.219 3.965 4.459 . 0 0 "[ . 1 .]" 1
12 1 14 TRP HE3 1 15 TYR H 4.000 . 6.000 5.029 4.790 5.601 . 0 0 "[ . 1 .]" 1
13 1 25 TYR H 1 26 SER H 4.200 . 6.000 4.418 4.384 4.448 . 0 0 "[ . 1 .]" 1
14 1 19 GLY H 1 22 GLY H 4.500 . 6.000 4.404 4.251 4.557 . 0 0 "[ . 1 .]" 1
15 1 25 TYR H 1 27 ASN H 4.300 . 6.000 5.370 5.160 5.720 . 0 0 "[ . 1 .]" 1
16 1 18 CYS H 1 45 ALA H 4.100 . 6.000 3.807 3.650 3.960 . 0 0 "[ . 1 .]" 1
17 1 26 SER H 1 30 ASN H 5.600 . 6.000 5.061 4.929 5.211 . 0 0 "[ . 1 .]" 1
18 1 26 SER H 1 31 PHE H 4.600 . 6.000 5.043 4.841 5.196 . 0 0 "[ . 1 .]" 1
19 1 26 SER H 1 30 ASN QD 5.200 . 6.000 3.901 3.655 4.053 . 0 0 "[ . 1 .]" 1
20 1 46 HIS HE1 1 50 CYS H 4.500 . 6.000 4.779 4.204 5.196 . 0 0 "[ . 1 .]" 1
21 1 15 TYR H 1 27 ASN QD 4.400 . 6.000 3.993 3.834 4.228 . 0 0 "[ . 1 .]" 1
22 1 13 GLU H 1 14 TRP H 4.300 . 6.000 4.239 4.171 4.356 . 0 0 "[ . 1 .]" 1
23 1 6 GLY H 1 34 GLN HE21 4.300 . 6.000 2.786 2.312 3.570 . 0 0 "[ . 1 .]" 1
24 1 15 TYR H 1 27 ASN H 5.100 . 6.000 5.050 4.832 5.287 . 0 0 "[ . 1 .]" 1
25 1 7 ARG H 1 34 GLN HE22 3.300 . 4.600 4.063 3.192 4.715 0.115 8 0 "[ . 1 .]" 1
26 1 27 ASN H 1 31 PHE H 4.300 . 6.000 3.731 3.495 3.890 . 0 0 "[ . 1 .]" 1
27 1 27 ASN QD 1 30 ASN H 4.500 . 6.000 3.806 3.546 3.998 . 0 0 "[ . 1 .]" 1
28 1 12 ARG H 1 27 ASN QD 4.600 . 6.000 2.577 2.054 2.990 . 0 0 "[ . 1 .]" 1
29 1 4 CYS H 1 5 VAL H 3.500 . 5.000 4.096 3.943 4.269 . 0 0 "[ . 1 .]" 1
30 1 11 THR H 1 12 ARG H 3.000 . 4.200 2.838 1.992 3.473 . 0 0 "[ . 1 .]" 1
31 1 8 LYS H 1 10 CYS H 4.100 . 6.000 5.775 5.514 5.999 . 0 0 "[ . 1 .]" 1
32 1 32 SER H 1 35 GLN H 4.400 . 6.000 4.724 4.627 4.899 . 0 0 "[ . 1 .]" 1
33 1 30 ASN H 1 30 ASN QD 4.200 . 6.000 4.296 4.220 4.333 . 0 0 "[ . 1 .]" 1
34 1 29 CYS H 1 31 PHE H 4.600 . 6.000 4.286 4.180 4.420 . 0 0 "[ . 1 .]" 1
35 1 23 VAL H 1 24 THR H 4.300 . 6.000 4.507 4.455 4.539 . 0 0 "[ . 1 .]" 1
36 1 10 CYS H 1 30 ASN QD 3.900 . 5.800 4.366 3.887 4.819 . 0 0 "[ . 1 .]" 1
37 1 30 ASN QD 1 31 PHE H 5.300 . 6.000 3.986 3.641 4.292 . 0 0 "[ . 1 .]" 1
38 1 37 GLN H 1 37 GLN HE21 3.400 . 4.900 3.440 2.234 3.995 . 0 0 "[ . 1 .]" 1
39 1 38 CYS H 1 39 ASP H 2.600 . 3.400 2.577 2.192 2.830 . 0 0 "[ . 1 .]" 1
40 1 12 ARG HE 1 27 ASN QD 4.000 . 6.000 4.682 3.619 5.054 . 0 0 "[ . 1 .]" 1
41 1 37 GLN H 1 37 GLN HE22 3.500 . 5.100 4.783 3.829 5.159 0.059 4 0 "[ . 1 .]" 1
42 1 31 PHE HZ 1 35 GLN HE22 3.600 . 5.200 4.706 3.188 5.257 0.057 12 0 "[ . 1 .]" 1
43 1 27 ASN HA 1 30 ASN H 4.800 . 6.000 4.734 4.579 4.929 . 0 0 "[ . 1 .]" 1
44 1 17 VAL H 1 27 ASN HA 4.100 . 6.000 4.244 3.883 4.497 . 0 0 "[ . 1 .]" 1
45 1 18 CYS HA 1 46 HIS HE1 5.400 . 6.000 5.936 5.601 6.032 0.032 2 0 "[ . 1 .]" 1
46 1 18 CYS HA 1 46 HIS H 4.900 . 6.000 4.828 4.728 4.930 . 0 0 "[ . 1 .]" 1
47 1 14 TRP HA 1 14 TRP HE3 2.900 . 3.900 3.031 2.858 3.492 . 0 0 "[ . 1 .]" 1
48 1 14 TRP HA 1 14 TRP HD1 4.200 . 6.000 4.260 4.021 4.350 . 0 0 "[ . 1 .]" 1
49 1 19 GLY HA3 1 22 GLY H 4.200 . 6.000 4.176 4.083 4.249 . 0 0 "[ . 1 .]" 1
50 1 19 GLY HA3 1 31 PHE HZ 4.600 . 6.000 5.480 5.014 5.771 . 0 0 "[ . 1 .]" 1
51 1 47 MET HA 1 48 GLY H 2.600 . 3.400 2.263 2.152 2.376 . 0 0 "[ . 1 .]" 1
52 1 19 GLY H 1 25 TYR HA 4.100 . 6.000 5.631 5.493 5.872 . 0 0 "[ . 1 .]" 1
53 1 45 ALA H 1 46 HIS HA 4.300 . 6.000 4.867 4.787 4.942 . 0 0 "[ . 1 .]" 1
54 1 11 THR H 1 11 THR HB 3.400 . 4.800 3.206 2.946 3.788 . 0 0 "[ . 1 .]" 1
55 1 25 TYR HA 1 27 ASN H 4.200 . 6.000 3.953 3.806 4.153 . 0 0 "[ . 1 .]" 1
56 1 11 THR HA 1 12 ARG H 2.200 . 2.800 2.529 2.267 2.899 0.099 9 0 "[ . 1 .]" 1
57 1 11 THR H 1 11 THR HA 2.800 . 3.700 2.893 2.838 2.913 . 0 0 "[ . 1 .]" 1
58 1 11 THR HA 1 13 GLU H 3.800 . 5.600 2.934 2.689 3.385 . 0 0 "[ . 1 .]" 1
59 1 30 ASN HA 1 30 ASN QD 5.000 . 5.400 2.155 1.865 2.474 0.135 4 0 "[ . 1 .]" 1
60 1 46 HIS HE1 1 48 GLY HA3 4.800 . 6.000 3.613 3.204 4.071 . 0 0 "[ . 1 .]" 1
61 1 48 GLY H 1 48 GLY HA3 2.800 . 3.700 2.942 2.904 2.955 . 0 0 "[ . 1 .]" 1
62 1 27 ASN H 1 30 ASN HA 4.500 . 6.000 4.956 4.761 5.126 . 0 0 "[ . 1 .]" 1
63 1 12 ARG HA 1 27 ASN QD 4.300 . 6.000 4.991 4.528 5.265 . 0 0 "[ . 1 .]" 1
64 1 8 LYS HA 1 34 GLN HE21 4.700 . 6.000 5.948 5.512 6.259 0.259 15 0 "[ . 1 .]" 1
65 1 8 LYS HA 1 34 GLN HE22 5.300 . 6.000 4.995 4.396 5.457 . 0 0 "[ . 1 .]" 1
66 1 46 HIS HE1 1 50 CYS HA 2.700 . 3.600 3.288 2.387 3.629 0.029 10 0 "[ . 1 .]" 1
67 1 50 CYS H 1 50 CYS HA 2.900 . 4.000 2.892 2.789 2.940 . 0 0 "[ . 1 .]" 1
68 1 29 CYS H 1 29 CYS HA 3.000 . 4.100 2.788 2.767 2.831 . 0 0 "[ . 1 .]" 1
69 1 37 GLN HA 1 38 CYS H 2.900 . 4.000 3.506 3.274 3.544 . 0 0 "[ . 1 .]" 1
70 1 14 TRP HE1 1 15 TYR HA 5.700 . 6.000 5.231 4.983 5.365 . 0 0 "[ . 1 .]" 1
71 1 20 SER H 1 20 SER HB3 2.900 . 4.000 2.896 2.568 3.593 . 0 0 "[ . 1 .]" 1
72 1 26 SER H 1 26 SER QB 3.200 . 4.500 2.343 2.197 2.492 . 0 0 "[ . 1 .]" 1
73 1 26 SER QB 1 30 ASN H 4.800 . 6.000 4.450 4.180 4.683 . 0 0 "[ . 1 .]" 1
74 1 14 TRP HE3 1 26 SER QB 3.200 . 6.000 3.357 2.714 4.588 . 0 0 "[ . 1 .]" 1
75 1 26 SER QB 1 27 ASN H 4.100 . 6.000 2.864 2.646 2.991 . 0 0 "[ . 1 .]" 1
76 1 26 SER QB 1 30 ASN QD 3.500 . 5.100 4.488 4.288 4.617 . 0 0 "[ . 1 .]" 1
77 1 14 TRP HH2 1 26 SER QB 5.200 . 6.000 3.992 3.340 4.448 . 0 0 "[ . 1 .]" 1
78 1 14 TRP HZ3 1 26 SER QB 3.600 . 5.200 2.583 2.063 3.470 . 0 0 "[ . 1 .]" 1
79 1 13 GLU HA 1 15 TYR H 5.000 . 6.000 5.368 5.267 5.443 . 0 0 "[ . 1 .]" 1
80 1 13 GLU H 1 13 GLU HA 3.000 . 4.100 2.806 2.744 2.903 . 0 0 "[ . 1 .]" 1
81 1 17 VAL HA 1 48 GLY H 2.700 . 3.600 2.309 1.949 2.784 . 0 0 "[ . 1 .]" 1
82 1 20 SER HA 1 45 ALA H 4.400 . 6.000 3.950 3.670 4.226 . 0 0 "[ . 1 .]" 1
83 1 24 THR H 1 24 THR HB 2.700 . 3.600 2.547 2.336 2.775 . 0 0 "[ . 1 .]" 1
84 1 14 TRP HZ2 1 16 PRO HA 4.900 . 6.000 5.189 4.763 5.440 . 0 0 "[ . 1 .]" 1
85 1 15 TYR H 1 16 PRO HA 3.800 . 5.600 4.295 4.241 4.341 . 0 0 "[ . 1 .]" 1
86 1 16 PRO HA 1 27 ASN H 4.400 . 6.000 4.067 3.586 4.524 . 0 0 "[ . 1 .]" 1
87 1 32 SER HB3 1 33 ALA H 3.100 . 4.300 2.888 2.431 3.947 . 0 0 "[ . 1 .]" 1
88 1 35 GLN HA 1 37 GLN H 2.300 . 6.000 4.163 3.942 4.489 . 0 0 "[ . 1 .]" 1
89 1 15 TYR H 1 28 PRO HD2 4.500 . 6.000 3.477 2.847 4.163 . 0 0 "[ . 1 .]" 1
90 1 20 SER HB3 1 45 ALA H 4.800 . 6.000 5.656 4.159 6.120 0.120 4 0 "[ . 1 .]" 1
91 1 33 ALA HA 1 37 GLN HE22 3.700 . 5.400 4.671 2.651 5.535 0.135 3 0 "[ . 1 .]" 1
92 1 32 SER H 1 33 ALA HA 5.200 . 6.000 5.340 5.310 5.387 . 0 0 "[ . 1 .]" 1
93 1 22 GLY H 1 23 VAL HA 4.200 . 6.000 4.908 4.854 4.979 . 0 0 "[ . 1 .]" 1
94 1 39 ASP H 1 40 PRO HD3 5.600 . 6.000 3.557 3.332 4.012 . 0 0 "[ . 1 .]" 1
95 1 46 HIS HB3 1 46 HIS HE1 5.300 . 6.000 5.306 5.294 5.315 . 0 0 "[ . 1 .]" 1
96 1 46 HIS H 1 46 HIS HB3 3.100 . 4.300 2.679 2.650 2.708 . 0 0 "[ . 1 .]" 1
97 1 32 SER HA 1 35 GLN H 3.700 . 5.400 3.797 3.615 4.030 . 0 0 "[ . 1 .]" 1
98 1 14 TRP HH2 1 26 SER HA 3.800 . 5.600 3.436 3.085 3.792 . 0 0 "[ . 1 .]" 1
99 1 14 TRP HZ3 1 26 SER HA 3.100 . 4.300 3.400 2.706 4.002 . 0 0 "[ . 1 .]" 1
100 1 44 ILE HA 1 45 ALA H 2.400 . 3.100 2.127 2.105 2.152 . 0 0 "[ . 1 .]" 1
101 1 19 GLY H 1 44 ILE HA 4.600 . 6.000 5.114 4.894 5.345 . 0 0 "[ . 1 .]" 1
102 1 25 TYR H 1 26 SER HA 4.500 . 6.000 5.114 5.027 5.241 . 0 0 "[ . 1 .]" 1
103 1 15 TYR H 1 26 SER HA 4.400 . 6.000 5.560 5.103 5.935 . 0 0 "[ . 1 .]" 1
104 1 43 THR H 1 44 ILE HA 4.100 . 6.000 5.088 4.960 5.215 . 0 0 "[ . 1 .]" 1
105 1 31 PHE HZ 1 44 ILE HA 4.200 . 6.000 3.847 2.967 4.283 . 0 0 "[ . 1 .]" 1
106 1 14 TRP HB3 1 15 TYR H 4.300 . 6.000 4.447 4.422 4.471 . 0 0 "[ . 1 .]" 1
107 1 29 CYS HB3 1 30 ASN H 2.900 . 4.000 3.017 2.354 4.106 0.106 10 0 "[ . 1 .]" 1
108 1 29 CYS H 1 29 CYS HB3 2.100 . 2.700 2.508 2.336 2.756 0.056 14 0 "[ . 1 .]" 1
109 1 14 TRP HB3 1 14 TRP HE3 4.200 . 6.000 4.139 4.046 4.174 . 0 0 "[ . 1 .]" 1
110 1 10 CYS HB3 1 12 ARG H 5.200 . 6.000 4.805 3.175 6.069 0.069 4 0 "[ . 1 .]" 1
111 1 10 CYS HB3 1 11 THR H 3.000 . 4.100 3.918 2.960 4.114 0.014 14 0 "[ . 1 .]" 1
112 1 12 ARG H 1 12 ARG HD3 4.800 . 6.000 4.346 3.833 4.932 . 0 0 "[ . 1 .]" 1
113 1 31 PHE HA 1 33 ALA H 4.600 . 6.000 4.814 4.766 4.864 . 0 0 "[ . 1 .]" 1
114 1 14 TRP H 1 14 TRP HB2 3.000 . 4.100 3.034 2.939 3.139 . 0 0 "[ . 1 .]" 1
115 1 14 TRP HB2 1 14 TRP HE3 3.100 . 4.300 2.630 2.501 2.697 . 0 0 "[ . 1 .]" 1
116 1 27 ASN H 1 27 ASN HB2 4.000 . 6.000 4.057 4.006 4.125 . 0 0 "[ . 1 .]" 1
117 1 46 HIS HE1 1 50 CYS HB3 4.400 . 6.000 5.694 5.334 5.923 . 0 0 "[ . 1 .]" 1
118 1 34 GLN HE21 1 34 GLN QG 2.700 . 3.600 2.198 2.155 2.237 . 0 0 "[ . 1 .]" 1
119 1 30 ASN H 1 30 ASN HB3 2.400 . 3.100 2.491 2.293 2.724 . 0 0 "[ . 1 .]" 1
120 1 26 SER H 1 30 ASN HB3 3.700 . 5.400 2.839 2.691 3.041 . 0 0 "[ . 1 .]" 1
121 1 21 ASP HB3 1 22 GLY H 4.500 . 6.000 3.469 3.326 4.409 . 0 0 "[ . 1 .]" 1
122 1 38 CYS H 1 38 CYS HB3 3.200 . 4.500 3.767 3.699 3.862 . 0 0 "[ . 1 .]" 1
123 1 30 ASN HB3 1 30 ASN QD 3.600 . 5.100 3.135 2.890 3.297 . 0 0 "[ . 1 .]" 1
124 1 4 CYS H 1 4 CYS HB3 2.700 . 3.600 3.504 3.295 3.701 0.101 10 0 "[ . 1 .]" 1
125 1 31 PHE HB3 1 32 SER H 2.700 . 3.600 2.535 2.437 2.603 . 0 0 "[ . 1 .]" 1
126 1 15 TYR H 1 15 TYR HB3 4.000 . 6.000 3.707 3.623 3.788 . 0 0 "[ . 1 .]" 1
127 1 25 TYR HB2 1 26 SER H 2.600 . 6.000 4.184 4.130 4.243 . 0 0 "[ . 1 .]" 1
128 1 25 TYR HB2 1 27 ASN H 3.000 . 6.000 4.169 3.911 4.475 . 0 0 "[ . 1 .]" 1
129 1 25 TYR H 1 25 TYR HB2 2.000 . 2.500 2.369 2.325 2.412 . 0 0 "[ . 1 .]" 1
130 1 25 TYR H 1 25 TYR HB3 2.500 . 3.300 3.588 3.561 3.610 0.310 7 0 "[ . 1 .]" 1
131 1 21 ASP HB2 1 23 VAL H 4.700 . 6.000 4.839 4.629 5.149 . 0 0 "[ . 1 .]" 1
132 1 21 ASP H 1 21 ASP HB2 3.000 . 4.100 2.665 2.487 3.688 . 0 0 "[ . 1 .]" 1
133 1 3 ASP HB2 1 4 CYS H 3.600 . 5.300 4.324 3.620 4.506 . 0 0 "[ . 1 .]" 1
134 1 23 VAL H 1 50 CYS HB2 6.000 . 6.000 4.721 4.545 5.247 . 0 0 "[ . 1 .]" 1
135 1 27 ASN H 1 31 PHE HB2 4.600 . 6.000 4.819 4.542 5.155 . 0 0 "[ . 1 .]" 1
136 1 25 TYR H 1 50 CYS HB2 4.600 . 6.000 4.345 3.621 5.020 . 0 0 "[ . 1 .]" 1
137 1 31 PHE HB2 1 32 SER H 4.000 . 6.000 3.886 3.800 3.948 . 0 0 "[ . 1 .]" 1
138 1 31 PHE H 1 31 PHE HB2 2.900 . 3.900 2.601 2.509 2.646 . 0 0 "[ . 1 .]" 1
139 1 14 TRP H 1 27 ASN HB3 3.400 . 4.800 4.717 4.462 4.885 0.085 6 0 "[ . 1 .]" 1
140 1 34 GLN HA 1 37 GLN HE21 4.000 . 6.000 2.801 1.906 4.737 0.094 14 0 "[ . 1 .]" 1
141 1 34 GLN HA 1 37 GLN H 6.000 . 6.000 3.807 3.554 4.006 . 0 0 "[ . 1 .]" 1
142 1 27 ASN HB3 1 29 CYS H 4.800 . 6.000 4.655 4.441 5.069 . 0 0 "[ . 1 .]" 1
143 1 15 TYR H 1 27 ASN HB3 2.900 . 4.000 2.234 2.104 2.404 . 0 0 "[ . 1 .]" 1
144 1 27 ASN H 1 27 ASN HB3 4.200 . 6.000 3.608 3.408 3.673 . 0 0 "[ . 1 .]" 1
145 1 27 ASN QD 1 29 CYS HB3 3.600 . 5.300 3.551 2.699 5.040 . 0 0 "[ . 1 .]" 1
146 1 10 CYS HB3 1 27 ASN QD 3.600 . 5.200 3.244 2.377 4.874 . 0 0 "[ . 1 .]" 1
147 1 12 ARG HD3 1 27 ASN QD 4.000 . 6.000 5.447 4.447 6.230 0.230 2 0 "[ . 1 .]" 1
148 1 27 ASN QD 1 29 CYS HB2 5.300 . 6.000 4.485 3.935 5.107 . 0 0 "[ . 1 .]" 1
149 1 39 ASP H 1 39 ASP HB3 3.200 . 4.500 3.046 2.770 3.759 . 0 0 "[ . 1 .]" 1
150 1 36 GLU HG3 1 37 GLN H 2.700 . 3.600 2.616 2.269 2.977 . 0 0 "[ . 1 .]" 1
151 1 40 PRO QB 1 41 ASN QD 3.300 . 4.600 3.929 2.871 4.451 . 0 0 "[ . 1 .]" 1
152 1 18 CYS HB2 1 50 CYS H 3.500 . 5.000 3.556 2.972 3.881 . 0 0 "[ . 1 .]" 1
153 1 18 CYS HB2 1 25 TYR H 3.200 . 4.500 4.605 4.549 4.691 0.191 13 0 "[ . 1 .]" 1
154 1 18 CYS HB2 1 19 GLY H 4.000 . 6.000 4.204 4.082 4.361 . 0 0 "[ . 1 .]" 1
155 1 18 CYS HB2 1 46 HIS HE1 3.300 . 4.600 3.584 3.307 3.723 . 0 0 "[ . 1 .]" 1
156 1 13 GLU HG2 1 15 TYR H 4.700 . 6.000 3.974 2.941 5.365 . 0 0 "[ . 1 .]" 1
157 1 36 GLU HG2 1 37 GLN H 4.300 . 6.000 2.828 2.671 3.045 . 0 0 "[ . 1 .]" 1
158 1 19 GLY H 1 23 VAL HB 4.600 . 6.000 5.032 4.812 5.314 . 0 0 "[ . 1 .]" 1
159 1 49 GLU H 1 49 GLU QB 3.000 . 4.100 2.589 2.397 2.756 . 0 0 "[ . 1 .]" 1
160 1 35 GLN HE22 1 35 GLN HG3 2.700 . 3.600 3.734 3.437 3.949 0.349 11 0 "[ . 1 .]" 1
161 1 31 PHE HZ 1 35 GLN HG3 4.800 . 6.000 4.803 3.945 6.175 0.175 1 0 "[ . 1 .]" 1
162 1 36 GLU H 1 36 GLU HB2 4.300 . 6.000 3.632 3.613 3.649 . 0 0 "[ . 1 .]" 1
163 1 13 GLU H 1 13 GLU HB3 2.600 . 3.400 3.110 2.827 3.306 . 0 0 "[ . 1 .]" 1
164 1 13 GLU HB3 1 27 ASN QD 4.400 . 6.000 3.754 3.034 4.386 . 0 0 "[ . 1 .]" 1
165 1 35 GLN HE21 1 35 GLN HG2 3.200 . 4.500 2.259 2.083 2.838 . 0 0 "[ . 1 .]" 1
166 1 49 GLU QB 1 50 CYS H 3.300 . 4.700 2.795 2.618 3.268 . 0 0 "[ . 1 .]" 1
167 1 42 ILE HB 1 43 THR H 2.400 . 3.100 2.433 2.131 2.672 . 0 0 "[ . 1 .]" 1
168 1 36 GLU HB3 1 37 GLN H 2.700 . 6.000 4.084 3.975 4.161 . 0 0 "[ . 1 .]" 1
169 1 20 SER H 1 42 ILE HB 3.900 . 5.800 2.368 2.134 2.722 . 0 0 "[ . 1 .]" 1
170 1 31 PHE HZ 1 42 ILE HB 4.100 . 6.000 5.172 4.655 5.594 . 0 0 "[ . 1 .]" 1
171 1 35 GLN HB3 1 35 GLN HE22 4.800 . 6.000 5.201 4.810 5.369 . 0 0 "[ . 1 .]" 1
172 1 35 GLN HB3 1 37 GLN H 3.900 . 5.800 5.216 5.036 5.530 . 0 0 "[ . 1 .]" 1
173 1 34 GLN H 1 35 GLN HB3 5.500 . 6.000 5.981 5.849 6.152 0.152 4 0 "[ . 1 .]" 1
174 1 7 ARG HB3 1 8 LYS H 6.000 . 6.000 4.202 4.112 4.380 . 0 0 "[ . 1 .]" 1
175 1 17 VAL HB 1 25 TYR H 4.400 . 6.000 5.339 4.923 5.563 . 0 0 "[ . 1 .]" 1
176 1 17 VAL HB 1 48 GLY H 6.000 . 6.000 4.435 4.228 4.598 . 0 0 "[ . 1 .]" 1
177 1 17 VAL H 1 17 VAL HB 3.200 . 4.500 3.915 3.890 3.946 . 0 0 "[ . 1 .]" 1
178 1 7 ARG H 1 7 ARG QG 3.700 . 5.400 3.186 2.164 4.085 . 0 0 "[ . 1 .]" 1
179 1 31 PHE HZ 1 42 ILE HG13 3.700 . 5.400 3.286 2.828 3.443 . 0 0 "[ . 1 .]" 1
180 1 8 LYS HB3 1 9 ALA H 3.400 . 4.900 3.647 3.037 4.299 . 0 0 "[ . 1 .]" 1
181 1 8 LYS H 1 8 LYS HB3 3.200 . 4.500 3.106 2.350 3.686 . 0 0 "[ . 1 .]" 1
182 1 31 PHE HZ 1 44 ILE HB 5.200 . 6.000 5.013 4.482 5.223 . 0 0 "[ . 1 .]" 1
183 1 15 TYR H 1 16 PRO HG3 4.300 . 6.000 5.905 5.731 5.987 . 0 0 "[ . 1 .]" 1
184 1 14 TRP HZ2 1 16 PRO HG3 3.000 . 4.200 3.861 3.564 3.962 . 0 0 "[ . 1 .]" 1
185 1 14 TRP HH2 1 16 PRO HG3 4.200 . 6.000 5.976 5.603 6.062 0.062 1 0 "[ . 1 .]" 1
186 1 18 CYS H 1 18 CYS HB3 2.700 . 3.600 2.629 2.517 2.765 . 0 0 "[ . 1 .]" 1
187 1 18 CYS HB3 1 19 GLY H 4.400 . 6.000 4.152 3.932 4.240 . 0 0 "[ . 1 .]" 1
188 1 18 CYS HB3 1 46 HIS HE1 4.100 . 6.000 4.400 4.163 4.568 . 0 0 "[ . 1 .]" 1
189 1 20 SER H 1 42 ILE HG12 4.600 . 6.000 4.377 4.052 4.897 . 0 0 "[ . 1 .]" 1
190 1 42 ILE H 1 42 ILE HG12 3.200 . 4.500 2.316 2.020 2.634 . 0 0 "[ . 1 .]" 1
191 1 31 PHE HZ 1 42 ILE HG12 3.700 . 5.400 4.583 4.172 4.897 . 0 0 "[ . 1 .]" 1
192 1 14 TRP HD1 1 16 PRO HD2 3.100 . 4.300 4.165 3.807 4.304 0.004 5 0 "[ . 1 .]" 1
193 1 14 TRP HE1 1 16 PRO HD2 3.900 . 5.800 4.425 4.163 4.582 . 0 0 "[ . 1 .]" 1
194 1 35 GLN H 1 35 GLN HB2 2.600 . 3.400 2.142 2.094 2.250 . 0 0 "[ . 1 .]" 1
195 1 31 PHE HZ 1 35 GLN HB2 4.700 . 6.000 5.311 4.805 5.890 . 0 0 "[ . 1 .]" 1
196 1 14 TRP HE1 1 16 PRO HB3 4.300 . 6.000 3.145 2.861 3.480 . 0 0 "[ . 1 .]" 1
197 1 14 TRP HZ2 1 16 PRO HB3 3.800 . 5.600 3.111 2.798 3.337 . 0 0 "[ . 1 .]" 1
198 1 14 TRP HH2 1 16 PRO HB3 4.400 . 6.000 4.474 4.152 4.849 . 0 0 "[ . 1 .]" 1
199 1 15 TYR H 1 16 PRO HB3 5.100 . 6.000 5.217 5.166 5.271 . 0 0 "[ . 1 .]" 1
200 1 16 PRO HB3 1 49 GLU H 4.300 . 6.000 4.289 3.584 4.953 . 0 0 "[ . 1 .]" 1
201 1 16 PRO HB3 1 48 GLY H 6.000 . 6.000 5.337 5.046 5.964 . 0 0 "[ . 1 .]" 1
202 1 14 TRP HZ3 1 16 PRO HB3 4.200 . 6.000 5.468 5.119 5.809 . 0 0 "[ . 1 .]" 1
203 1 16 PRO HB2 1 17 VAL H 3.300 . 4.700 3.332 3.234 3.379 . 0 0 "[ . 1 .]" 1
204 1 14 TRP HH2 1 16 PRO HB2 4.400 . 6.000 5.665 5.307 5.983 . 0 0 "[ . 1 .]" 1
205 1 14 TRP HE1 1 16 PRO HB2 4.700 . 6.000 4.256 3.926 4.605 . 0 0 "[ . 1 .]" 1
206 1 14 TRP HZ2 1 16 PRO HB2 3.900 . 5.800 4.186 3.799 4.509 . 0 0 "[ . 1 .]" 1
207 1 31 PHE HZ 1 35 GLN HE21 3.400 . 4.800 3.724 3.235 5.000 0.200 1 0 "[ . 1 .]" 1
208 1 13 GLU HB3 1 27 ASN HA 4.900 . 6.000 5.817 5.460 6.056 0.056 13 0 "[ . 1 .]" 1
209 1 16 PRO HA 1 27 ASN HA 4.900 . 6.000 3.288 2.806 3.661 . 0 0 "[ . 1 .]" 1
210 1 18 CYS HA 1 18 CYS HB2 3.000 . 4.100 2.449 2.373 2.522 . 0 0 "[ . 1 .]" 1
211 1 43 THR HA 1 44 ILE HB 5.000 . 6.000 5.049 4.991 5.115 . 0 0 "[ . 1 .]" 1
212 1 20 SER HB3 1 43 THR HA 4.000 . 6.000 5.297 4.796 6.452 0.452 5 0 "[ . 1 .]" 1
213 1 42 ILE HG12 1 43 THR HA 3.500 . 6.000 5.037 4.926 5.161 . 0 0 "[ . 1 .]" 1
214 1 24 THR HA 1 50 CYS HB3 6.000 . 6.000 3.798 2.577 4.188 . 0 0 "[ . 1 .]" 1
215 1 24 THR HA 1 25 TYR HB2 4.600 . 6.000 4.394 4.328 4.457 . 0 0 "[ . 1 .]" 1
216 1 24 THR HA 1 25 TYR HB3 4.300 . 6.000 5.631 5.552 5.677 . 0 0 "[ . 1 .]" 1
217 1 24 THR HA 1 50 CYS HB2 4.300 . 6.000 2.489 2.088 2.944 . 0 0 "[ . 1 .]" 1
218 1 18 CYS HB2 1 24 THR HA 4.800 . 6.000 3.932 3.481 4.348 . 0 0 "[ . 1 .]" 1
219 1 41 ASN HA 1 41 ASN HB3 2.600 . 3.400 2.536 2.380 3.007 . 0 0 "[ . 1 .]" 1
220 1 19 GLY HA3 1 31 PHE HA 2.500 . 6.000 5.682 5.445 5.894 . 0 0 "[ . 1 .]" 1
221 1 35 GLN HA 1 40 PRO HA 4.300 . 6.000 3.621 3.284 3.984 . 0 0 "[ . 1 .]" 1
222 1 36 GLU HA 1 40 PRO HA 2.900 . 4.000 3.924 3.695 4.061 0.061 10 0 "[ . 1 .]" 1
223 1 35 GLN HG3 1 40 PRO HA 3.200 . 4.500 3.586 2.626 5.014 0.514 15 2 "[ -. 1 +]" 1
224 1 35 GLN HB2 1 40 PRO HA 6.000 . 6.000 4.293 3.580 5.061 . 0 0 "[ . 1 .]" 1
225 1 6 GLY HA3 1 7 ARG HA 4.400 . 6.000 4.351 4.300 4.392 . 0 0 "[ . 1 .]" 1
226 1 7 ARG HA 1 7 ARG QB 2.500 . 3.300 2.245 2.171 2.370 . 0 0 "[ . 1 .]" 1
227 1 7 ARG HA 1 7 ARG QG 3.400 . 4.500 2.975 2.381 3.488 . 0 0 "[ . 1 .]" 1
228 1 17 VAL HA 1 47 MET HA 3.900 . 5.800 2.450 2.150 2.870 . 0 0 "[ . 1 .]" 1
229 1 47 MET HA 1 48 GLY HA2 4.900 . 6.000 4.521 4.452 4.570 . 0 0 "[ . 1 .]" 1
230 1 46 HIS HA 1 46 HIS HB2 2.600 . 3.500 2.410 2.381 2.434 . 0 0 "[ . 1 .]" 1
231 1 5 VAL HA 1 5 VAL HB 2.800 . 3.800 2.590 2.389 3.026 . 0 0 "[ . 1 .]" 1
232 1 18 CYS HB2 1 46 HIS HA 5.100 . 6.000 6.126 6.056 6.169 0.169 8 0 "[ . 1 .]" 1
233 1 25 TYR HA 1 25 TYR HB2 2.700 . 3.600 3.008 3.002 3.018 . 0 0 "[ . 1 .]" 1
234 1 25 TYR HA 1 31 PHE HB2 3.800 . 5.600 5.114 4.919 5.346 . 0 0 "[ . 1 .]" 1
235 1 21 ASP HA 1 21 ASP HB2 2.300 . 3.000 2.482 2.437 2.535 . 0 0 "[ . 1 .]" 1
236 1 21 ASP HA 1 23 VAL HB 2.000 . 6.000 5.816 5.460 6.019 0.019 2 0 "[ . 1 .]" 1
237 1 12 ARG HA 1 12 ARG HD3 4.800 . 6.000 4.791 4.433 5.178 . 0 0 "[ . 1 .]" 1
238 1 8 LYS HA 1 8 LYS HD3 2.300 . 3.000 2.428 1.768 3.718 0.718 2 1 "[ + . 1 .]" 1
239 1 18 CYS HA 1 18 CYS HB3 3.000 . 4.100 3.021 3.014 3.027 . 0 0 "[ . 1 .]" 1
240 1 14 TRP HA 1 16 PRO HD3 4.200 . 6.000 4.418 4.337 4.478 . 0 0 "[ . 1 .]" 1
241 1 14 TRP HA 1 15 TYR HB3 5.500 . 6.000 5.804 5.748 5.852 . 0 0 "[ . 1 .]" 1
242 1 14 TRP HA 1 27 ASN HB3 3.900 . 5.800 2.546 2.308 2.761 . 0 0 "[ . 1 .]" 1
243 1 14 TRP HA 1 14 TRP HB2 2.800 . 3.800 2.481 2.460 2.511 . 0 0 "[ . 1 .]" 1
244 1 14 TRP HA 1 16 PRO HD2 4.800 . 6.000 5.858 5.803 5.921 . 0 0 "[ . 1 .]" 1
245 1 13 GLU HB3 1 14 TRP HA 4.500 . 6.000 4.608 4.512 4.709 . 0 0 "[ . 1 .]" 1
246 1 10 CYS HA 1 10 CYS HB3 3.000 . 4.100 2.934 2.488 3.042 . 0 0 "[ . 1 .]" 1
247 1 39 ASP HA 1 39 ASP HB3 2.800 . 3.800 2.918 2.483 3.023 . 0 0 "[ . 1 .]" 1
248 1 38 CYS HA 1 38 CYS HB3 2.700 . 3.600 2.429 2.339 2.553 . 0 0 "[ . 1 .]" 1
249 1 50 CYS HA 1 50 CYS HB3 2.900 . 4.000 2.792 2.428 2.972 . 0 0 "[ . 1 .]" 1
250 1 18 CYS HB2 1 50 CYS HA 3.600 . 5.200 3.623 2.336 4.211 . 0 0 "[ . 1 .]" 1
251 1 29 CYS HA 1 29 CYS HB2 2.800 . 3.800 2.423 2.355 2.514 . 0 0 "[ . 1 .]" 1
252 1 36 GLU HG2 1 37 GLN HA 6.000 . 6.000 4.967 4.793 5.328 . 0 0 "[ . 1 .]" 1
253 1 36 GLU HG3 1 37 GLN HA 2.600 . 6.000 3.663 3.376 4.003 . 0 0 "[ . 1 .]" 1
254 1 37 GLN HA 1 37 GLN QG 4.100 . 6.000 2.702 2.412 3.349 . 0 0 "[ . 1 .]" 1
255 1 36 GLU HB3 1 37 GLN HA 2.800 . 6.000 5.691 5.626 5.803 . 0 0 "[ . 1 .]" 1
256 1 26 SER QB 1 30 ASN HB2 5.500 . 6.000 2.672 2.522 2.884 . 0 0 "[ . 1 .]" 1
257 1 28 PRO HA 1 31 PHE HB3 2.900 . 3.900 2.744 2.455 3.110 . 0 0 "[ . 1 .]" 1
258 1 28 PRO HA 1 31 PHE HB2 3.100 . 4.300 3.838 3.522 4.203 . 0 0 "[ . 1 .]" 1
259 1 28 PRO HA 1 28 PRO HB3 2.700 . 3.600 2.301 2.259 2.319 . 0 0 "[ . 1 .]" 1
260 1 13 GLU HA 1 13 GLU HB3 2.400 . 3.100 3.032 3.023 3.040 . 0 0 "[ . 1 .]" 1
261 1 42 ILE HA 1 42 ILE HG13 3.200 . 4.500 3.662 3.560 3.771 . 0 0 "[ . 1 .]" 1
262 1 42 ILE HA 1 42 ILE HG12 3.700 . 5.400 3.755 3.675 3.812 . 0 0 "[ . 1 .]" 1
263 1 17 VAL HA 1 17 VAL HB 2.900 . 3.900 2.439 2.385 2.469 . 0 0 "[ . 1 .]" 1
264 1 16 PRO HB2 1 17 VAL HA 5.700 . 6.000 4.286 4.234 4.347 . 0 0 "[ . 1 .]" 1
265 1 1 ALA HA 1 37 GLN QG 3.600 . 6.000 5.409 4.555 5.815 . 0 0 "[ . 1 .]" 1
266 1 1 ALA HA 1 37 GLN QB 4.500 . 6.000 4.574 4.155 5.084 . 0 0 "[ . 1 .]" 1
267 1 20 SER HA 1 42 ILE HB 3.600 . 5.300 4.088 3.835 4.475 . 0 0 "[ . 1 .]" 1
268 1 16 PRO HA 1 16 PRO HG3 4.000 . 6.000 4.027 3.985 4.043 . 0 0 "[ . 1 .]" 1
269 1 16 PRO HA 1 16 PRO HB3 2.900 . 4.000 2.300 2.283 2.308 . 0 0 "[ . 1 .]" 1
270 1 35 GLN HA 1 39 ASP HB3 3.400 . 4.900 3.716 3.123 4.113 . 0 0 "[ . 1 .]" 1
271 1 35 GLN HA 1 35 GLN HG3 2.500 . 3.300 2.593 2.477 2.848 . 0 0 "[ . 1 .]" 1
272 1 35 GLN HA 1 35 GLN HB3 2.600 . 3.400 2.682 2.539 2.786 . 0 0 "[ . 1 .]" 1
273 1 49 GLU HA 1 49 GLU QB 2.400 . 3.100 2.201 2.161 2.389 . 0 0 "[ . 1 .]" 1
274 1 27 ASN HB2 1 28 PRO HD2 3.000 . 4.100 1.744 1.595 1.845 0.305 9 0 "[ . 1 .]" 1
275 1 18 CYS HB3 1 49 GLU HA 4.400 . 6.000 5.692 5.359 6.068 0.068 11 0 "[ . 1 .]" 1
276 1 18 CYS HB2 1 49 GLU HA 3.200 . 4.400 4.063 3.667 4.393 . 0 0 "[ . 1 .]" 1
277 1 49 GLU HA 1 50 CYS HB2 6.000 . 6.000 4.149 3.982 4.822 . 0 0 "[ . 1 .]" 1
278 1 16 PRO HB2 1 49 GLU HA 4.300 . 6.000 3.038 2.354 3.528 . 0 0 "[ . 1 .]" 1
279 1 40 PRO HD2 1 40 PRO HG3 3.000 . 4.100 2.912 2.702 3.015 . 0 0 "[ . 1 .]" 1
280 1 34 GLN HA 1 34 GLN QB 3.300 . 4.000 2.340 2.276 2.404 . 0 0 "[ . 1 .]" 1
281 1 42 ILE HB 1 44 ILE HA 3.900 . 5.800 5.839 5.738 5.917 0.117 2 0 "[ . 1 .]" 1
282 1 44 ILE HA 1 44 ILE HG12 3.000 . 4.100 2.822 2.502 3.633 . 0 0 "[ . 1 .]" 1
283 1 16 PRO HB2 1 48 GLY HA2 4.400 . 6.000 3.199 2.894 3.696 . 0 0 "[ . 1 .]" 1
284 1 31 PHE HA 1 34 GLN QB 3.600 . 5.200 3.054 2.805 3.320 . 0 0 "[ . 1 .]" 1
285 1 7 ARG QB 1 7 ARG QD 2.800 . 3.800 2.283 2.101 2.472 . 0 0 "[ . 1 .]" 1
286 1 7 ARG QD 1 7 ARG QG 3.000 . 4.100 2.031 1.974 2.097 . 0 0 "[ . 1 .]" 1
287 1 34 GLN QG 1 35 GLN HB3 5.600 . 6.000 5.695 5.243 6.071 0.071 10 0 "[ . 1 .]" 1
288 1 34 GLN QB 1 34 GLN QG 2.900 . 3.800 2.018 1.980 2.075 . 0 0 "[ . 1 .]" 1
289 1 16 PRO HD3 1 16 PRO HG3 2.600 . 3.500 2.278 2.269 2.286 . 0 0 "[ . 1 .]" 1
290 1 16 PRO HB3 1 16 PRO HD3 3.000 . 4.100 3.131 3.080 3.269 . 0 0 "[ . 1 .]" 1
291 1 13 GLU HG2 1 15 TYR HB3 4.800 . 6.000 5.593 5.029 6.385 0.385 8 0 "[ . 1 .]" 1
292 1 8 LYS HE3 1 8 LYS HG3 2.700 . 3.600 2.902 2.309 3.703 0.103 1 0 "[ . 1 .]" 1
293 1 8 LYS HB3 1 8 LYS HE3 3.000 . 6.000 4.395 2.875 5.505 . 0 0 "[ . 1 .]" 1
294 1 21 ASP HB2 1 42 ILE HB 4.200 . 6.000 4.180 3.655 6.008 0.008 12 0 "[ . 1 .]" 1
295 1 17 VAL HB 1 44 ILE HG12 3.900 . 5.800 3.879 3.327 4.516 . 0 0 "[ . 1 .]" 1
296 1 44 ILE HB 1 44 ILE HG12 3.000 . 4.200 2.920 2.609 3.031 . 0 0 "[ . 1 .]" 1
297 1 35 GLN HB2 1 35 GLN HG3 2.900 . 4.000 2.920 2.553 3.016 . 0 0 "[ . 1 .]" 1
298 1 16 PRO HD2 1 16 PRO HG3 2.800 . 3.800 2.784 2.769 2.823 . 0 0 "[ . 1 .]" 1
299 1 42 ILE HB 1 42 ILE HG12 2.700 . 3.600 3.019 3.014 3.026 . 0 0 "[ . 1 .]" 1
300 1 25 TYR HB2 1 31 PHE HB2 2.900 . 3.900 3.168 2.882 3.404 . 0 0 "[ . 1 .]" 1
301 1 36 GLU HA 1 36 GLU HB2 2.700 . 3.600 2.435 2.396 2.505 . 0 0 "[ . 1 .]" 1
302 1 36 GLU HA 1 36 GLU HB3 2.500 . 3.300 2.449 2.381 2.499 . 0 0 "[ . 1 .]" 1
303 1 40 PRO QB 1 40 PRO HD3 3.200 . 4.500 3.338 2.863 3.552 . 0 0 "[ . 1 .]" 1
304 1 40 PRO HD3 1 40 PRO HG3 2.500 . 3.300 2.312 2.290 2.331 . 0 0 "[ . 1 .]" 1
305 1 32 SER HA 1 35 GLN HB3 3.100 . 4.300 4.304 3.856 5.028 0.728 4 2 "[ +. 1 -]" 1
306 1 32 SER HA 1 35 GLN HB2 3.300 . 6.000 3.032 2.684 3.475 . 0 0 "[ . 1 .]" 1
307 1 44 ILE HG12 1 46 HIS H 5.100 . 6.000 5.760 5.493 6.092 0.092 10 0 "[ . 1 .]" 1
308 1 20 SER H 1 31 PHE HZ 4.500 . 6.000 4.686 4.105 5.097 . 0 0 "[ . 1 .]" 1
309 1 14 TRP HD1 1 15 TYR H 4.600 . 6.000 4.938 4.535 5.079 . 0 0 "[ . 1 .]" 1
310 1 31 PHE HZ 1 43 THR H 4.100 . 6.000 4.451 4.097 4.923 . 0 0 "[ . 1 .]" 1
311 1 5 VAL H 1 34 GLN HE22 4.800 . 6.000 4.372 3.659 5.138 . 0 0 "[ . 1 .]" 1
312 1 31 PHE H 1 34 GLN H 4.700 . 6.000 4.818 4.725 4.894 . 0 0 "[ . 1 .]" 1
313 1 6 GLY HA2 1 7 ARG H 2.700 . 3.600 3.252 3.065 3.478 . 0 0 "[ . 1 .]" 1
314 1 6 GLY HA3 1 7 ARG H 2.100 . 2.700 2.159 2.114 2.242 . 0 0 "[ . 1 .]" 1
315 1 10 CYS HA 1 11 THR H 2.600 . 3.500 2.338 2.301 2.364 . 0 0 "[ . 1 .]" 1
316 1 11 THR HB 1 12 ARG H 3.300 . 4.600 4.354 4.057 4.444 . 0 0 "[ . 1 .]" 1
317 1 13 GLU HA 1 14 TRP H 2.100 . 2.700 2.396 2.327 2.491 . 0 0 "[ . 1 .]" 1
318 1 14 TRP HA 1 15 TYR H 2.400 . 3.100 2.225 2.207 2.248 . 0 0 "[ . 1 .]" 1
319 1 17 VAL HA 1 47 MET H 5.600 . 6.000 4.996 4.787 5.351 . 0 0 "[ . 1 .]" 1
320 1 18 CYS HA 1 19 GLY H 2.400 . 3.100 2.150 2.124 2.207 . 0 0 "[ . 1 .]" 1
321 1 18 CYS HA 1 25 TYR H 3.400 . 4.800 2.820 2.746 2.932 . 0 0 "[ . 1 .]" 1
322 1 19 GLY HA3 1 44 ILE HA 3.800 . 5.600 4.605 4.266 4.846 . 0 0 "[ . 1 .]" 1
323 1 20 SER HA 1 21 ASP H 2.700 . 3.600 3.413 3.393 3.438 . 0 0 "[ . 1 .]" 1
324 1 24 THR HB 1 25 TYR H 4.100 . 6.000 4.213 4.041 4.335 . 0 0 "[ . 1 .]" 1
325 1 25 TYR HA 1 26 SER H 2.400 . 3.100 2.119 2.092 2.174 . 0 0 "[ . 1 .]" 1
326 1 19 GLY H 1 25 TYR H 3.900 . 5.800 3.885 3.666 4.092 . 0 0 "[ . 1 .]" 1
327 1 26 SER HA 1 27 ASN H 3.800 . 5.600 3.481 3.454 3.534 . 0 0 "[ . 1 .]" 1
328 1 27 ASN HA 1 27 ASN QD 4.500 . 6.000 4.232 3.971 4.318 . 0 0 "[ . 1 .]" 1
329 1 27 ASN HA 1 28 PRO HD2 3.500 . 5.100 2.941 2.458 3.172 . 0 0 "[ . 1 .]" 1
330 1 27 ASN HB2 1 27 ASN QD . . 3.800 2.878 2.206 3.272 . 0 0 "[ . 1 .]" 1
331 1 27 ASN HB3 1 27 ASN QD 2.700 . 3.600 2.223 2.108 2.788 . 0 0 "[ . 1 .]" 1
332 1 30 ASN HA 1 31 PHE H 3.700 . 5.400 3.559 3.544 3.577 . 0 0 "[ . 1 .]" 1
333 1 31 PHE HA 1 32 SER H 3.800 . 5.600 3.556 3.542 3.577 . 0 0 "[ . 1 .]" 1
334 1 32 SER HA 1 33 ALA H 3.900 . 5.800 3.570 3.550 3.584 . 0 0 "[ . 1 .]" 1
335 1 33 ALA HA 1 34 GLN H 3.500 . 5.100 3.540 3.522 3.566 . 0 0 "[ . 1 .]" 1
336 1 34 GLN HA 1 35 GLN H 3.400 . 4.800 3.504 3.468 3.534 . 0 0 "[ . 1 .]" 1
337 1 35 GLN HA 1 36 GLU H 3.100 . 6.000 3.551 3.530 3.576 . 0 0 "[ . 1 .]" 1
338 1 39 ASP HA 1 40 PRO HD2 2.700 . 3.600 2.403 1.931 2.711 . 0 0 "[ . 1 .]" 1
339 1 39 ASP HA 1 40 PRO HD3 2.800 . 3.800 2.284 1.950 2.911 . 0 0 "[ . 1 .]" 1
340 1 41 ASN HA 1 42 ILE H 3.300 . 4.700 3.400 3.137 3.492 . 0 0 "[ . 1 .]" 1
341 1 31 PHE HZ 1 44 ILE HG12 3.200 . 4.400 4.000 2.941 5.135 0.735 2 1 "[ + . 1 .]" 1
342 1 18 CYS H 1 46 HIS HA 3.400 . 6.000 4.888 4.777 5.099 . 0 0 "[ . 1 .]" 1
343 1 45 ALA H 1 46 HIS H 2.500 . 3.300 2.493 2.421 2.591 . 0 0 "[ . 1 .]" 1
344 1 46 HIS H 1 46 HIS HA 2.800 . 3.800 2.833 2.819 2.853 . 0 0 "[ . 1 .]" 1
345 1 45 ALA HA 1 46 HIS H 3.200 . 4.500 3.542 3.527 3.559 . 0 0 "[ . 1 .]" 1
346 1 46 HIS H 1 46 HIS HB3 3.600 . 5.200 3.467 3.397 3.523 . 0 0 "[ . 1 .]" 1
347 1 44 ILE HA 1 46 HIS H 4.000 . 6.000 4.054 3.934 4.165 . 0 0 "[ . 1 .]" 1
348 1 18 CYS HB2 1 46 HIS H 3.200 . 4.500 4.031 3.874 4.178 . 0 0 "[ . 1 .]" 1
349 1 17 VAL HB 1 46 HIS H 4.700 . 6.000 4.257 4.044 4.505 . 0 0 "[ . 1 .]" 1
350 1 14 TRP HE1 1 49 GLU H 6.000 . 6.000 5.517 4.616 6.072 0.072 2 0 "[ . 1 .]" 1
351 1 19 GLY H 1 23 VAL H 3.100 . 4.300 3.059 2.835 3.280 . 0 0 "[ . 1 .]" 1
352 1 5 VAL H 1 6 GLY H 3.600 . 5.200 4.327 4.285 4.421 . 0 0 "[ . 1 .]" 1
353 1 3 ASP HA 1 5 VAL H 2.300 . 6.000 5.757 5.373 6.044 0.044 1 0 "[ . 1 .]" 1
354 1 14 TRP H 1 14 TRP HE3 6.000 . 6.000 5.159 5.058 5.253 . 0 0 "[ . 1 .]" 1
355 1 14 TRP H 1 14 TRP HD1 4.400 . 6.000 4.922 4.819 5.056 . 0 0 "[ . 1 .]" 1
356 1 14 TRP H 1 14 TRP HA 2.900 . 3.900 2.944 2.938 2.951 . 0 0 "[ . 1 .]" 1
357 1 7 ARG H 1 8 LYS H 3.400 . 4.900 4.283 4.155 4.333 . 0 0 "[ . 1 .]" 1
358 1 7 ARG HA 1 8 LYS H 2.200 . 2.800 2.148 2.116 2.184 . 0 0 "[ . 1 .]" 1
359 1 8 LYS HA 1 9 ALA H 2.300 . 3.000 2.207 2.154 2.268 . 0 0 "[ . 1 .]" 1
360 1 23 VAL H 1 35 GLN HE22 4.200 . 6.000 6.302 6.120 6.730 0.730 15 3 "[* -. 1 +]" 1
361 1 19 GLY HA3 1 23 VAL H 2.900 . 3.900 3.492 3.280 3.667 . 0 0 "[ . 1 .]" 1
362 1 7 ARG H 1 34 GLN HE21 3.700 . 5.400 4.611 4.007 5.370 . 0 0 "[ . 1 .]" 1
363 1 7 ARG H 1 7 ARG HE 6.000 . 6.000 4.883 3.916 5.594 . 0 0 "[ . 1 .]" 1
364 1 19 GLY H 1 50 CYS H 3.900 . 5.800 5.665 5.154 5.874 0.074 2 0 "[ . 1 .]" 1
365 1 18 CYS HA 1 50 CYS H 3.900 . 5.800 4.006 3.308 4.356 . 0 0 "[ . 1 .]" 1
366 1 24 THR HA 1 50 CYS H 3.100 . 4.300 2.461 2.101 2.962 . 0 0 "[ . 1 .]" 1
367 1 18 CYS H 1 46 HIS HE1 6.000 . 6.000 5.557 5.236 5.695 . 0 0 "[ . 1 .]" 1
368 1 24 THR H 1 24 THR HA 2.700 . 3.600 2.881 2.861 2.898 . 0 0 "[ . 1 .]" 1
369 1 24 THR H 1 50 CYS HA 6.000 . 6.000 6.115 5.714 6.245 0.245 4 0 "[ . 1 .]" 1
370 1 18 CYS H 1 18 CYS HA 2.700 . 3.600 2.942 2.939 2.946 . 0 0 "[ . 1 .]" 1
371 1 32 SER H 1 33 ALA H 2.900 . 3.900 2.761 2.720 2.812 . 0 0 "[ . 1 .]" 1
372 1 29 CYS H 1 33 ALA H 4.000 . 6.000 5.802 5.686 5.893 . 0 0 "[ . 1 .]" 1
373 1 30 ASN HA 1 33 ALA H 3.200 . 4.500 3.954 3.812 4.099 . 0 0 "[ . 1 .]" 1
374 1 4 CYS H 1 34 GLN HE22 5.100 . 6.000 5.477 4.160 6.038 0.038 7 0 "[ . 1 .]" 1
375 1 4 CYS H 1 38 CYS HA 5.700 . 6.000 3.547 2.878 4.287 . 0 0 "[ . 1 .]" 1
376 1 3 ASP HA 1 4 CYS H 2.300 . 3.000 2.117 2.068 2.154 . 0 0 "[ . 1 .]" 1
377 1 10 CYS H 1 27 ASN QD 5.700 . 6.000 4.191 3.686 4.853 . 0 0 "[ . 1 .]" 1
378 1 10 CYS H 1 10 CYS HA 2.700 . 3.600 2.930 2.917 2.949 . 0 0 "[ . 1 .]" 1
379 1 9 ALA HA 1 10 CYS H 2.200 . 2.800 2.081 2.048 2.119 . 0 0 "[ . 1 .]" 1
380 1 30 ASN H 1 31 PHE H 2.800 . 3.800 2.705 2.636 2.778 . 0 0 "[ . 1 .]" 1
381 1 12 ARG HE 1 30 ASN H 2.700 . 6.000 5.871 4.909 6.090 0.090 4 0 "[ . 1 .]" 1
382 1 29 CYS H 1 30 ASN H 2.700 . 3.600 2.743 2.581 2.825 . 0 0 "[ . 1 .]" 1
383 1 12 ARG H 1 13 GLU H 2.900 . 3.900 2.163 1.876 2.453 0.024 8 0 "[ . 1 .]" 1
384 1 35 GLN H 1 37 GLN HE21 4.300 . 6.000 5.271 4.333 6.045 0.045 6 0 "[ . 1 .]" 1
385 1 35 GLN H 1 40 PRO HA 5.600 . 6.000 5.568 5.171 6.020 0.020 3 0 "[ . 1 .]" 1
386 1 35 GLN H 1 35 GLN HA 2.500 . 3.300 2.856 2.844 2.872 . 0 0 "[ . 1 .]" 1
387 1 27 ASN HA 1 31 PHE H 6.000 . 6.000 5.202 5.029 5.339 . 0 0 "[ . 1 .]" 1
388 1 24 THR H 1 25 TYR H 4.200 . 6.000 4.450 4.400 4.502 . 0 0 "[ . 1 .]" 1
389 1 28 PRO HA 1 31 PHE H 2.900 . 4.000 3.493 3.352 3.686 . 0 0 "[ . 1 .]" 1
390 1 20 SER H 1 44 ILE H 6.000 . 6.000 5.052 4.888 5.167 . 0 0 "[ . 1 .]" 1
391 1 21 ASP H 1 45 ALA H 4.500 . 6.000 5.937 5.688 6.032 0.032 12 0 "[ . 1 .]" 1
392 1 21 ASP H 1 22 GLY H 2.600 . 3.400 2.469 2.442 2.504 . 0 0 "[ . 1 .]" 1
393 1 12 ARG HE 1 29 CYS H 4.500 . 6.000 4.358 2.678 5.354 . 0 0 "[ . 1 .]" 1
394 1 27 ASN QD 1 29 CYS H 6.000 . 6.000 4.150 3.348 4.678 . 0 0 "[ . 1 .]" 1
395 1 27 ASN HA 1 29 CYS H 4.400 . 6.000 4.607 4.409 4.917 . 0 0 "[ . 1 .]" 1
396 1 46 HIS HE1 1 47 MET H 6.000 . 6.000 5.959 5.724 6.032 0.032 1 0 "[ . 1 .]" 1
397 1 47 MET H 1 48 GLY H 4.000 . 6.000 4.588 4.526 4.611 . 0 0 "[ . 1 .]" 1
398 1 46 HIS H 1 47 MET H 3.900 . 5.800 4.289 4.232 4.334 . 0 0 "[ . 1 .]" 1
399 1 32 SER H 1 34 GLN H 4.300 . 6.000 4.225 4.099 4.339 . 0 0 "[ . 1 .]" 1
400 1 33 ALA H 1 34 GLN H 2.600 . 3.400 2.641 2.598 2.692 . 0 0 "[ . 1 .]" 1
401 1 34 GLN H 1 35 GLN H 2.500 . 3.300 2.598 2.548 2.659 . 0 0 "[ . 1 .]" 1
402 1 30 ASN HA 1 34 GLN H 4.400 . 6.000 3.789 3.572 3.978 . 0 0 "[ . 1 .]" 1
403 1 34 GLN H 1 34 GLN HA 3.000 . 4.100 2.821 2.812 2.836 . 0 0 "[ . 1 .]" 1
404 1 26 SER H 1 27 ASN HA 6.000 . 6.000 5.169 5.079 5.232 . 0 0 "[ . 1 .]" 1
405 1 4 CYS H 1 39 ASP H 5.200 . 6.000 5.659 4.809 6.017 0.017 11 0 "[ . 1 .]" 1
406 1 39 ASP H 1 40 PRO HA 3.600 . 5.200 4.634 4.412 4.834 . 0 0 "[ . 1 .]" 1
407 1 37 GLN HA 1 39 ASP H 5.900 . 6.000 5.929 5.651 6.089 0.089 1 0 "[ . 1 .]" 1
408 1 35 GLN HA 1 39 ASP H 3.000 . 4.100 2.288 1.898 2.524 0.002 15 0 "[ . 1 .]" 1
409 1 42 ILE H 1 43 THR H 5.300 . 6.000 4.550 4.488 4.578 . 0 0 "[ . 1 .]" 1
410 1 41 ASN H 1 42 ILE H 2.500 . 3.300 2.493 2.361 2.673 . 0 0 "[ . 1 .]" 1
411 1 39 ASP H 1 42 ILE H 4.300 . 6.000 5.911 5.589 6.160 0.160 15 0 "[ . 1 .]" 1
412 1 31 PHE HZ 1 42 ILE H 6.000 . 6.000 5.621 5.192 6.036 0.036 15 0 "[ . 1 .]" 1
413 1 39 ASP HA 1 42 ILE H 5.700 . 6.000 4.952 4.678 5.179 . 0 0 "[ . 1 .]" 1
414 1 42 ILE H 1 42 ILE HA 2.900 . 3.900 2.911 2.874 2.952 . 0 0 "[ . 1 .]" 1
415 1 29 CYS H 1 32 SER H 4.900 . 6.000 4.691 4.623 4.813 . 0 0 "[ . 1 .]" 1
416 1 19 GLY H 1 21 ASP H 4.800 . 6.000 4.815 4.615 4.947 . 0 0 "[ . 1 .]" 1
417 1 18 CYS H 1 19 GLY H 4.000 . 6.000 4.333 4.233 4.401 . 0 0 "[ . 1 .]" 1
418 1 6 GLY H 1 34 GLN HE22 3.800 . 5.600 3.244 2.577 3.625 . 0 0 "[ . 1 .]" 1
419 1 38 CYS H 1 38 CYS HA 2.500 . 3.300 2.935 2.921 2.946 . 0 0 "[ . 1 .]" 1
420 1 14 TRP HE3 1 27 ASN QD 3.900 . 5.800 4.183 3.571 5.363 . 0 0 "[ . 1 .]" 1
421 1 27 ASN H 1 27 ASN QD 5.500 . 6.000 4.184 3.412 4.710 . 0 0 "[ . 1 .]" 1
422 1 14 TRP HA 1 27 ASN QD 6.000 . 6.000 3.355 2.956 4.157 . 0 0 "[ . 1 .]" 1
423 1 11 THR HA 1 27 ASN QD 3.400 . 4.800 2.385 2.071 2.810 . 0 0 "[ . 1 .]" 1
424 1 6 GLY H 1 8 LYS H 2.400 . 6.000 6.095 6.034 6.194 0.194 1 0 "[ . 1 .]" 1
425 1 17 VAL H 1 18 CYS HA 6.000 . 6.000 4.654 4.613 4.691 . 0 0 "[ . 1 .]" 1
426 1 17 VAL H 1 25 TYR HA 4.400 . 6.000 4.767 4.660 4.869 . 0 0 "[ . 1 .]" 1
427 1 20 SER H 1 43 THR H 2.700 . 3.600 2.998 2.703 3.335 . 0 0 "[ . 1 .]" 1
428 1 43 THR H 1 45 ALA H 6.000 . 6.000 5.501 5.321 5.637 . 0 0 "[ . 1 .]" 1
429 1 43 THR H 1 44 ILE H 3.700 . 5.400 4.484 4.428 4.537 . 0 0 "[ . 1 .]" 1
430 1 39 ASP H 1 41 ASN H 3.600 . 5.200 5.185 5.065 5.245 0.045 15 0 "[ . 1 .]" 1
431 1 39 ASP HA 1 41 ASN H 5.000 . 6.000 3.326 3.231 3.524 . 0 0 "[ . 1 .]" 1
432 1 14 TRP HZ2 1 49 GLU H 6.000 . 6.000 5.451 4.768 5.995 . 0 0 "[ . 1 .]" 1
433 1 11 THR H 1 27 ASN QD 4.300 . 6.000 3.595 3.370 3.985 . 0 0 "[ . 1 .]" 1
434 1 48 GLY HA3 1 49 GLU H 2.400 . 3.100 2.890 2.668 3.085 . 0 0 "[ . 1 .]" 1
435 1 30 ASN QD 1 34 GLN HA 5.300 . 6.000 4.672 4.302 5.019 . 0 0 "[ . 1 .]" 1
436 1 10 CYS HB3 1 30 ASN QD 4.500 . 5.200 4.673 3.835 6.157 0.957 9 1 "[ . +1 .]" 1
437 1 19 GLY HA3 1 35 GLN HE21 3.500 . 5.100 3.709 3.384 4.190 . 0 0 "[ . 1 .]" 1
438 1 37 GLN H 1 38 CYS HA 5.100 . 6.000 4.991 4.904 5.057 . 0 0 "[ . 1 .]" 1
439 1 37 GLN H 1 37 GLN HA 2.900 . 3.900 2.918 2.894 2.945 . 0 0 "[ . 1 .]" 1
440 1 5 VAL H 1 34 GLN HE21 6.000 . 6.000 4.943 4.197 5.718 . 0 0 "[ . 1 .]" 1
441 1 30 ASN QD 1 34 GLN HE21 4.200 . 6.000 5.163 4.668 5.588 . 0 0 "[ . 1 .]" 1
442 1 30 ASN QD 1 34 GLN HE22 4.900 . 6.000 5.185 4.365 5.690 . 0 0 "[ . 1 .]" 1
443 1 34 GLN HA 1 37 GLN HE22 5.200 . 6.000 3.832 2.271 5.914 . 0 0 "[ . 1 .]" 1
444 1 20 SER H 1 22 GLY H 3.600 . 5.200 4.177 4.116 4.221 . 0 0 "[ . 1 .]" 1
445 1 22 GLY H 1 45 ALA H 5.900 . 6.000 5.789 5.514 5.880 . 0 0 "[ . 1 .]" 1
446 1 22 GLY H 1 23 VAL H 2.400 . 3.100 2.240 2.190 2.314 . 0 0 "[ . 1 .]" 1
447 1 21 ASP HA 1 22 GLY H 3.300 . 4.700 3.293 3.190 3.321 . 0 0 "[ . 1 .]" 1
448 1 26 SER H 1 27 ASN H 2.900 . 3.900 2.608 2.532 2.670 . 0 0 "[ . 1 .]" 1
449 1 27 ASN H 1 30 ASN H 3.500 . 5.100 3.417 3.285 3.652 . 0 0 "[ . 1 .]" 1
450 1 27 ASN H 1 29 CYS H 5.400 . 6.000 4.932 4.705 5.137 . 0 0 "[ . 1 .]" 1
451 1 27 ASN H 1 27 ASN HA 2.900 . 3.900 2.798 2.770 2.819 . 0 0 "[ . 1 .]" 1
452 1 14 TRP HA 1 27 ASN H 6.000 . 6.000 5.598 5.358 5.789 . 0 0 "[ . 1 .]" 1
453 1 27 ASN H 1 28 PRO HA 3.500 . 5.000 5.039 5.017 5.077 0.077 4 0 "[ . 1 .]" 1
454 1 44 ILE H 1 45 ALA H 4.400 . 6.000 4.457 4.438 4.476 . 0 0 "[ . 1 .]" 1
455 1 31 PHE HZ 1 44 ILE H 3.500 . 5.000 3.002 2.573 3.328 . 0 0 "[ . 1 .]" 1
456 1 43 THR HA 1 44 ILE H 2.700 . 3.600 2.492 2.457 2.541 . 0 0 "[ . 1 .]" 1
457 1 20 SER H 1 45 ALA H 3.400 . 4.900 3.758 3.535 3.931 . 0 0 "[ . 1 .]" 1
458 1 45 ALA H 1 45 ALA HA 2.800 . 3.800 2.878 2.859 2.896 . 0 0 "[ . 1 .]" 1
459 1 45 ALA H 1 46 HIS HB3 5.100 . 6.000 5.552 5.464 5.622 . 0 0 "[ . 1 .]" 1
460 1 18 CYS HB2 1 45 ALA H 4.800 . 6.000 5.166 4.976 5.346 . 0 0 "[ . 1 .]" 1
461 1 17 VAL HB 1 45 ALA H 6.000 . 6.000 4.747 4.606 4.906 . 0 0 "[ . 1 .]" 1
462 1 44 ILE HG12 1 45 ALA H 3.500 . 5.100 4.693 4.404 5.336 0.236 10 0 "[ . 1 .]" 1
463 1 20 SER H 1 21 ASP H 2.800 . 3.700 2.835 2.801 2.877 . 0 0 "[ . 1 .]" 1
464 1 25 TYR H 1 50 CYS HB3 6.000 . 6.000 5.845 4.598 6.109 0.109 13 0 "[ . 1 .]" 1
465 1 25 TYR H 1 25 TYR QB 2.300 . 2.900 2.338 2.296 2.378 . 0 0 "[ . 1 .]" 1
466 1 24 THR HA 1 25 TYR H 2.300 . 3.000 2.151 2.103 2.193 . 0 0 "[ . 1 .]" 1
467 1 14 TRP HE1 1 16 PRO HA 6.000 . 6.000 5.190 4.910 5.482 . 0 0 "[ . 1 .]" 1
468 1 14 TRP HE1 1 16 PRO HD3 3.700 . 5.400 3.123 2.917 3.249 . 0 0 "[ . 1 .]" 1
469 1 14 TRP HE1 1 49 GLU QB 4.500 . 6.000 4.907 4.049 5.686 . 0 0 "[ . 1 .]" 1
470 1 14 TRP HE1 1 16 PRO HG3 2.700 . 3.600 2.186 1.806 2.467 . 0 0 "[ . 1 .]" 1
471 1 15 TYR H 1 15 TYR HA 3.000 . 4.100 2.924 2.916 2.934 . 0 0 "[ . 1 .]" 1
472 1 15 TYR H 1 16 PRO HD3 3.000 . 4.100 3.948 3.888 3.985 . 0 0 "[ . 1 .]" 1
473 1 13 GLU HB3 1 15 TYR H 6.000 . 6.000 4.363 4.155 4.508 . 0 0 "[ . 1 .]" 1
474 1 15 TYR H 1 16 PRO HD2 3.400 . 4.900 4.801 4.768 4.871 . 0 0 "[ . 1 .]" 1
475 1 15 TYR H 1 16 PRO HB2 5.300 . 6.000 6.403 6.365 6.425 0.425 4 0 "[ . 1 .]" 1
476 1 5 VAL H 1 6 GLY HA2 5.700 . 6.000 5.855 5.701 6.067 0.067 14 0 "[ . 1 .]" 1
477 1 4 CYS HB3 1 5 VAL H 3.500 . 5.000 4.116 3.710 4.364 . 0 0 "[ . 1 .]" 1
478 1 5 VAL H 1 5 VAL HB 2.600 . 3.400 3.002 2.499 3.640 0.240 14 0 "[ . 1 .]" 1
479 1 14 TRP H 1 15 TYR HA 4.300 . 6.000 5.066 4.986 5.153 . 0 0 "[ . 1 .]" 1
480 1 14 TRP H 1 14 TRP HB3 2.300 . 3.000 2.678 2.589 2.797 . 0 0 "[ . 1 .]" 1
481 1 14 TRP H 1 15 TYR HB2 6.000 . 6.000 5.426 5.153 5.807 . 0 0 "[ . 1 .]" 1
482 1 13 GLU HG2 1 14 TRP H 3.500 . 5.000 2.880 2.181 3.942 . 0 0 "[ . 1 .]" 1
483 1 13 GLU HB3 1 14 TRP H 2.800 . 3.800 3.792 3.694 3.893 0.093 2 0 "[ . 1 .]" 1
484 1 8 LYS H 1 34 GLN QG 5.500 . 6.000 3.600 2.542 4.391 . 0 0 "[ . 1 .]" 1
485 1 8 LYS H 1 8 LYS HG3 3.300 . 4.600 4.347 3.915 4.697 0.097 13 0 "[ . 1 .]" 1
486 1 21 ASP HB3 1 23 VAL H 4.600 . 6.000 3.433 3.077 5.327 . 0 0 "[ . 1 .]" 1
487 1 23 VAL H 1 23 VAL HB 2.300 . 3.000 3.040 2.964 3.083 0.083 14 0 "[ . 1 .]" 1
488 1 7 ARG H 1 7 ARG HA 2.700 . 3.600 2.932 2.913 2.944 . 0 0 "[ . 1 .]" 1
489 1 7 ARG H 1 7 ARG HB2 2.600 . 3.500 3.559 3.072 3.878 0.378 15 0 "[ . 1 .]" 1
490 1 49 GLU HA 1 50 CYS H 2.300 . 2.900 2.240 2.097 2.312 . 0 0 "[ . 1 .]" 1
491 1 50 CYS H 1 50 CYS HB3 3.500 . 5.000 3.276 2.896 3.571 . 0 0 "[ . 1 .]" 1
492 1 50 CYS H 1 50 CYS HB2 2.500 . 3.300 2.228 2.126 2.548 . 0 0 "[ . 1 .]" 1
493 1 18 CYS HB3 1 50 CYS H 4.200 . 6.000 5.284 4.669 5.632 . 0 0 "[ . 1 .]" 1
494 1 23 VAL HA 1 24 THR H 2.100 . 2.700 2.202 2.156 2.252 . 0 0 "[ . 1 .]" 1
495 1 24 THR H 1 50 CYS HB3 6.000 . 6.000 3.926 3.323 4.695 . 0 0 "[ . 1 .]" 1
496 1 24 THR H 1 50 CYS HB2 4.600 . 6.000 3.692 3.354 4.352 . 0 0 "[ . 1 .]" 1
497 1 23 VAL HB 1 24 THR H 3.700 . 5.400 3.978 3.916 4.049 . 0 0 "[ . 1 .]" 1
498 1 17 VAL HA 1 18 CYS H 2.400 . 3.100 2.511 2.412 2.621 . 0 0 "[ . 1 .]" 1
499 1 18 CYS H 1 46 HIS HB3 5.000 . 6.000 5.805 5.673 6.005 0.005 13 0 "[ . 1 .]" 1
500 1 18 CYS H 1 18 CYS HB2 2.600 . 3.400 3.045 2.926 3.233 . 0 0 "[ . 1 .]" 1
501 1 17 VAL HB 1 18 CYS H 2.700 . 3.600 2.157 1.904 2.393 . 0 0 "[ . 1 .]" 1
502 1 33 ALA H 1 33 ALA HA 2.500 . 3.300 2.831 2.820 2.842 . 0 0 "[ . 1 .]" 1
503 1 33 ALA H 1 36 GLU HG3 5.000 . 6.000 5.785 5.519 6.008 0.008 10 0 "[ . 1 .]" 1
504 1 33 ALA H 1 34 GLN QB 4.000 . 6.000 4.382 4.261 4.465 . 0 0 "[ . 1 .]" 1
505 1 4 CYS H 1 5 VAL HB 4.700 . 6.000 5.081 4.438 6.091 0.091 14 0 "[ . 1 .]" 1
506 1 10 CYS H 1 10 CYS HB3 2.800 . 3.800 2.831 2.527 3.778 . 0 0 "[ . 1 .]" 1
507 1 30 ASN H 1 30 ASN HA 2.700 . 3.600 2.811 2.791 2.825 . 0 0 "[ . 1 .]" 1
508 1 28 PRO HD2 1 30 ASN H 4.100 . 6.000 4.894 4.735 5.081 . 0 0 "[ . 1 .]" 1
509 1 30 ASN H 1 30 ASN HB2 2.400 . 3.100 2.466 2.294 2.667 . 0 0 "[ . 1 .]" 1
510 1 28 PRO HB3 1 30 ASN H 5.300 . 6.000 5.853 5.652 6.110 0.110 15 0 "[ . 1 .]" 1
511 1 13 GLU H 1 27 ASN HB2 5.800 . 6.000 4.726 4.260 5.126 . 0 0 "[ . 1 .]" 1
512 1 13 GLU H 1 13 GLU HG2 3.900 . 5.800 4.819 4.538 5.352 . 0 0 "[ . 1 .]" 1
513 1 12 ARG HG3 1 13 GLU H 4.500 . 6.000 3.360 2.534 4.249 . 0 0 "[ . 1 .]" 1
514 1 34 GLN QG 1 35 GLN H 3.500 . 5.000 3.689 3.456 3.957 . 0 0 "[ . 1 .]" 1
515 1 35 GLN H 1 35 GLN HB3 3.000 . 4.100 3.435 3.337 3.519 . 0 0 "[ . 1 .]" 1
516 1 34 GLN QB 1 35 GLN H 3.500 . 5.000 2.685 2.524 2.872 . 0 0 "[ . 1 .]" 1
517 1 31 PHE H 1 31 PHE HB3 2.300 . 3.000 2.435 2.382 2.510 . 0 0 "[ . 1 .]" 1
518 1 31 PHE H 1 34 GLN QB 6.000 . 6.000 4.750 4.577 4.942 . 0 0 "[ . 1 .]" 1
519 1 3 ASP H 1 4 CYS HB3 6.000 . 6.000 4.788 4.371 5.115 . 0 0 "[ . 1 .]" 1
520 1 3 ASP H 1 3 ASP HB2 2.600 . 3.500 2.969 2.441 3.718 0.218 13 0 "[ . 1 .]" 1
521 1 44 ILE H 1 44 ILE HG12 3.300 . 4.700 3.521 3.251 3.951 . 0 0 "[ . 1 .]" 1
522 1 19 GLY HA3 1 21 ASP H 2.900 . 3.900 3.322 3.224 3.408 . 0 0 "[ . 1 .]" 1
523 1 21 ASP H 1 21 ASP HA 2.700 . 3.600 2.876 2.863 2.920 . 0 0 "[ . 1 .]" 1
524 1 21 ASP H 1 22 GLY HA3 4.800 . 6.000 5.137 5.081 5.176 . 0 0 "[ . 1 .]" 1
525 1 21 ASP H 1 21 ASP HB3 3.600 . 5.200 2.534 2.416 2.776 . 0 0 "[ . 1 .]" 1
526 1 21 ASP H 1 42 ILE HB 4.400 . 6.000 2.908 2.520 3.169 . 0 0 "[ . 1 .]" 1
527 1 21 ASP H 1 42 ILE HG13 6.000 . 6.000 4.306 4.115 4.693 . 0 0 "[ . 1 .]" 1
528 1 18 CYS HA 1 23 VAL H 5.000 . 6.000 4.541 4.370 4.731 . 0 0 "[ . 1 .]" 1
529 1 29 CYS H 1 29 CYS HB2 2.800 . 3.800 2.922 2.494 3.657 . 0 0 "[ . 1 .]" 1
530 1 28 PRO HB3 1 29 CYS H 5.000 . 6.000 3.905 3.784 4.059 . 0 0 "[ . 1 .]" 1
531 1 13 GLU HB3 1 29 CYS H 2.900 . 6.000 5.374 4.630 6.059 0.059 13 0 "[ . 1 .]" 1
532 1 12 ARG HG3 1 29 CYS H 4.500 . 6.000 5.455 4.868 6.081 0.081 3 0 "[ . 1 .]" 1
533 1 12 ARG H 1 12 ARG HG3 2.600 . 3.400 2.838 1.909 3.392 . 0 0 "[ . 1 .]" 1
534 1 19 GLY HA3 1 20 SER H 2.500 . 3.300 2.925 2.847 3.001 . 0 0 "[ . 1 .]" 1
535 1 20 SER H 1 20 SER HA 2.400 . 3.100 2.773 2.762 2.789 . 0 0 "[ . 1 .]" 1
536 1 20 SER H 1 42 ILE HG13 4.600 . 6.000 2.962 2.583 3.403 . 0 0 "[ . 1 .]" 1
537 1 46 HIS HA 1 47 MET H 2.300 . 3.000 2.322 2.265 2.372 . 0 0 "[ . 1 .]" 1
538 1 46 HIS HB3 1 47 MET H 3.500 . 5.000 3.906 3.806 4.023 . 0 0 "[ . 1 .]" 1
539 1 46 HIS HB2 1 47 MET H 2.700 . 3.600 2.600 2.460 2.775 . 0 0 "[ . 1 .]" 1
540 1 47 MET H 1 47 MET HB2 2.400 . 3.100 2.460 2.352 2.622 . 0 0 "[ . 1 .]" 1
541 1 18 CYS HB3 1 47 MET H 6.000 . 6.000 5.723 5.485 6.009 0.009 4 0 "[ . 1 .]" 1
542 1 34 GLN H 1 34 GLN QG 3.200 . 4.500 3.992 3.904 4.046 . 0 0 "[ . 1 .]" 1
543 1 34 GLN H 1 36 GLU HG3 4.600 . 6.000 5.713 5.345 5.871 . 0 0 "[ . 1 .]" 1
544 1 34 GLN H 1 34 GLN QB 2.600 . 3.400 2.228 2.164 2.264 . 0 0 "[ . 1 .]" 1
545 1 26 SER H 1 26 SER HA 2.800 . 3.800 2.825 2.800 2.844 . 0 0 "[ . 1 .]" 1
546 1 39 ASP H 1 40 PRO HD2 4.800 . 6.000 4.687 4.216 5.034 . 0 0 "[ . 1 .]" 1
547 1 39 ASP HB2 1 42 ILE H 2.900 . 6.000 5.283 4.827 5.787 . 0 0 "[ . 1 .]" 1
548 1 39 ASP HB3 1 42 ILE H 4.300 . 6.000 3.909 3.587 4.357 . 0 0 "[ . 1 .]" 1
549 1 42 ILE H 1 42 ILE HB 3.100 . 4.300 3.741 3.689 3.840 . 0 0 "[ . 1 .]" 1
550 1 42 ILE H 1 42 ILE HG13 3.100 . 4.300 3.466 3.314 3.703 . 0 0 "[ . 1 .]" 1
551 1 29 CYS HA 1 32 SER H 4.200 . 6.000 3.628 3.258 3.933 . 0 0 "[ . 1 .]" 1
552 1 32 SER H 1 32 SER HB3 2.400 . 3.100 2.718 2.462 3.582 0.482 10 0 "[ . 1 .]" 1
553 1 32 SER H 1 32 SER HA 2.700 . 3.600 2.814 2.797 2.827 . 0 0 "[ . 1 .]" 1
554 1 19 GLY H 1 19 GLY HA3 2.300 . 3.000 2.333 2.317 2.371 . 0 0 "[ . 1 .]" 1
555 1 19 GLY H 1 23 VAL HA 5.500 . 6.000 4.672 4.529 4.897 . 0 0 "[ . 1 .]" 1
556 1 19 GLY H 1 25 TYR QB 6.000 . 6.000 4.063 3.869 4.406 . 0 0 "[ . 1 .]" 1
557 1 19 GLY H 1 25 TYR HB2 6.000 . 6.000 4.171 3.959 4.548 . 0 0 "[ . 1 .]" 1
558 1 5 VAL HA 1 6 GLY H 2.200 . 2.800 2.122 2.095 2.164 . 0 0 "[ . 1 .]" 1
559 1 6 GLY H 1 6 GLY HA2 2.900 . 4.000 2.499 2.382 2.632 . 0 0 "[ . 1 .]" 1
560 1 6 GLY H 1 6 GLY HA3 2.500 . 3.300 2.940 2.914 2.953 . 0 0 "[ . 1 .]" 1
561 1 5 VAL HB 1 6 GLY H 3.400 . 4.900 4.137 3.270 4.284 . 0 0 "[ . 1 .]" 1
562 1 38 CYS H 1 38 CYS HB2 2.300 . 2.900 2.679 2.586 2.776 . 0 0 "[ . 1 .]" 1
563 1 48 GLY H 1 48 GLY HA2 2.700 . 3.600 2.405 2.344 2.485 . 0 0 "[ . 1 .]" 1
564 1 13 GLU HG2 1 27 ASN QD 4.600 . 6.000 5.207 4.303 6.386 0.386 14 0 "[ . 1 .]" 1
565 1 16 PRO HA 1 17 VAL H 2.200 . 2.800 2.164 2.132 2.193 . 0 0 "[ . 1 .]" 1
566 1 22 GLY HA2 1 23 VAL H 3.700 . 5.400 2.956 2.909 3.036 . 0 0 "[ . 1 .]" 1
567 1 17 VAL H 1 25 TYR QB 3.400 . 4.900 3.004 2.771 3.239 . 0 0 "[ . 1 .]" 1
568 1 16 PRO HB3 1 17 VAL H 3.500 . 5.000 3.913 3.860 3.955 . 0 0 "[ . 1 .]" 1
569 1 19 GLY HA3 1 43 THR H 3.200 . 6.000 5.685 5.334 6.016 0.016 7 0 "[ . 1 .]" 1
570 1 42 ILE HA 1 43 THR H 2.300 . 2.900 2.308 2.217 2.457 . 0 0 "[ . 1 .]" 1
571 1 40 PRO HD3 1 41 ASN H 3.600 . 5.200 3.849 3.692 4.076 . 0 0 "[ . 1 .]" 1
572 1 40 PRO HD2 1 41 ASN H 3.600 . 5.200 2.766 2.575 3.026 . 0 0 "[ . 1 .]" 1
573 1 41 ASN H 1 41 ASN HB3 2.600 . 3.400 3.514 2.703 3.691 0.291 6 0 "[ . 1 .]" 1
574 1 39 ASP HB3 1 41 ASN H 5.500 . 6.000 3.963 3.680 4.348 . 0 0 "[ . 1 .]" 1
575 1 36 GLU H 1 36 GLU HB3 3.500 . 5.000 2.595 2.526 2.701 . 0 0 "[ . 1 .]" 1
576 1 40 PRO HG3 1 41 ASN H 3.300 . 4.700 4.621 4.365 4.778 0.078 11 0 "[ . 1 .]" 1
577 1 41 ASN H 1 42 ILE HG13 4.300 . 6.000 5.778 5.461 6.024 0.024 11 0 "[ . 1 .]" 1
578 1 41 ASN H 1 42 ILE HG12 5.000 . 6.000 4.296 3.946 4.663 . 0 0 "[ . 1 .]" 1
579 1 49 GLU H 1 49 GLU HA 2.800 . 3.800 2.840 2.778 2.893 . 0 0 "[ . 1 .]" 1
580 1 48 GLY HA2 1 49 GLU H 2.700 . 3.600 2.295 2.162 2.420 . 0 0 "[ . 1 .]" 1
581 1 10 CYS HB2 1 11 THR H 4.700 . 6.000 3.911 2.834 4.145 . 0 0 "[ . 1 .]" 1
582 1 18 CYS HB2 1 49 GLU H 2.700 . 6.000 5.772 5.367 6.089 0.089 12 0 "[ . 1 .]" 1
583 1 16 PRO HG3 1 49 GLU H 3.300 . 4.600 3.973 3.407 4.627 0.027 11 0 "[ . 1 .]" 1
584 1 30 ASN HB2 1 30 ASN QD 3.000 . 4.100 3.076 2.896 3.314 . 0 0 "[ . 1 .]" 1
585 1 30 ASN QD 1 34 GLN QG 6.000 . 6.000 3.717 2.936 4.503 . 0 0 "[ . 1 .]" 1
586 1 30 ASN QD 1 34 GLN QB 4.900 . 6.000 2.543 2.197 2.879 . 0 0 "[ . 1 .]" 1
587 1 35 GLN HE21 1 44 ILE HA 6.000 . 6.000 5.523 5.059 6.314 0.314 1 0 "[ . 1 .]" 1
588 1 35 GLN HE21 1 39 ASP HB3 6.000 . 6.000 5.335 5.017 5.831 . 0 0 "[ . 1 .]" 1
589 1 35 GLN HE21 1 42 ILE HG13 4.500 . 6.000 2.823 2.302 3.391 . 0 0 "[ . 1 .]" 1
590 1 37 GLN H 1 38 CYS HB3 4.200 . 6.000 5.949 5.848 6.030 0.030 6 0 "[ . 1 .]" 1
591 1 36 GLU HG3 1 37 GLN HE21 3.600 . 5.200 4.253 2.701 5.113 . 0 0 "[ . 1 .]" 1
592 1 34 GLN QB 1 34 GLN HE21 3.500 . 5.100 3.862 3.783 4.017 . 0 0 "[ . 1 .]" 1
593 1 36 GLU HG3 1 37 GLN HE22 4.100 . 6.000 4.971 1.964 5.998 0.036 6 0 "[ . 1 .]" 1
594 1 34 GLN HE21 1 38 CYS HB2 4.100 . 6.000 3.969 2.990 4.624 . 0 0 "[ . 1 .]" 1
595 1 22 GLY H 1 22 GLY HA2 2.600 . 3.400 2.342 2.320 2.356 . 0 0 "[ . 1 .]" 1
596 1 22 GLY H 1 22 GLY HA3 2.600 . 3.400 2.913 2.892 2.923 . 0 0 "[ . 1 .]" 1
597 1 21 ASP HB2 1 22 GLY H 4.800 . 6.000 4.258 4.175 4.382 . 0 0 "[ . 1 .]" 1
598 1 22 GLY H 1 23 VAL HB 4.100 . 6.000 4.751 4.617 4.855 . 0 0 "[ . 1 .]" 1
599 1 27 ASN H 1 30 ASN HB2 2.600 . 3.500 2.992 2.490 3.408 . 0 0 "[ . 1 .]" 1
600 1 27 ASN H 1 30 ASN HB3 3.100 . 4.300 2.134 1.969 2.293 . 0 0 "[ . 1 .]" 1
601 1 43 THR HB 1 44 ILE H 2.400 . 3.100 2.586 2.301 3.175 0.075 13 0 "[ . 1 .]" 1
602 1 44 ILE H 1 44 ILE HA 2.600 . 3.400 2.846 2.825 2.865 . 0 0 "[ . 1 .]" 1
603 1 44 ILE H 1 44 ILE HB 2.400 . 3.100 2.560 2.523 2.622 . 0 0 "[ . 1 .]" 1
604 1 42 ILE HG13 1 43 THR H 2.800 . 3.800 3.358 3.154 3.578 . 0 0 "[ . 1 .]" 1
605 1 19 GLY HA3 1 45 ALA H 3.400 . 4.900 4.665 4.395 4.811 . 0 0 "[ . 1 .]" 1
606 1 21 ASP H 1 23 VAL H 3.300 . 4.700 3.451 3.352 3.551 . 0 0 "[ . 1 .]" 1
607 1 17 VAL H 1 25 TYR H 2.900 . 4.000 3.305 3.086 3.574 . 0 0 "[ . 1 .]" 1
608 1 17 VAL H 1 26 SER HA 4.800 . 6.000 4.475 4.310 4.724 . 0 0 "[ . 1 .]" 1
609 1 20 SER H 1 44 ILE HA 3.600 . 5.200 3.858 3.534 4.052 . 0 0 "[ . 1 .]" 1
610 1 18 CYS H 1 46 HIS H 3.100 . 4.300 2.887 2.835 3.002 . 0 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 239
_Distance_constraint_stats_list.Viol_count 179
_Distance_constraint_stats_list.Viol_total 336.328
_Distance_constraint_stats_list.Viol_max 0.912
_Distance_constraint_stats_list.Viol_rms 0.0472
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.1253
_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 1 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 2 GLU 0.303 0.073 5 0 "[ . 1 .]"
1 3 ASP 0.281 0.105 15 0 "[ . 1 .]"
1 4 CYS 0.139 0.080 6 0 "[ . 1 .]"
1 5 VAL 0.968 0.251 1 0 "[ . 1 .]"
1 6 GLY 0.003 0.003 10 0 "[ . 1 .]"
1 7 ARG 0.306 0.113 11 0 "[ . 1 .]"
1 8 LYS 1.295 0.183 1 0 "[ . 1 .]"
1 9 ALA 0.050 0.034 5 0 "[ . 1 .]"
1 10 CYS 0.898 0.286 3 0 "[ . 1 .]"
1 11 THR 0.561 0.170 5 0 "[ . 1 .]"
1 12 ARG 2.248 0.286 3 0 "[ . 1 .]"
1 13 GLU 0.347 0.123 4 0 "[ . 1 .]"
1 14 TRP 1.130 0.170 5 0 "[ . 1 .]"
1 15 TYR 1.152 0.183 1 0 "[ . 1 .]"
1 16 PRO 0.024 0.020 15 0 "[ . 1 .]"
1 17 VAL 1.265 0.183 1 0 "[ . 1 .]"
1 18 CYS 1.698 0.212 13 0 "[ . 1 .]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 20 SER 1.701 0.299 1 0 "[ . 1 .]"
1 21 ASP 1.728 0.215 12 0 "[ . 1 .]"
1 22 GLY 2.721 0.487 1 0 "[ . 1 .]"
1 23 VAL 0.069 0.029 2 0 "[ . 1 .]"
1 24 THR 0.328 0.113 11 0 "[ . 1 .]"
1 25 TYR 0.143 0.086 13 0 "[ . 1 .]"
1 26 SER 0.164 0.051 3 0 "[ . 1 .]"
1 27 ASN 0.264 0.123 4 0 "[ . 1 .]"
1 28 PRO 2.273 0.887 4 3 "[* +. 1 -]"
1 29 CYS 0.938 0.121 10 0 "[ . 1 .]"
1 30 ASN 1.766 0.183 1 0 "[ . 1 .]"
1 31 PHE 0.826 0.314 1 0 "[ . 1 .]"
1 32 SER 0.086 0.057 4 0 "[ . 1 .]"
1 33 ALA 0.041 0.016 5 0 "[ . 1 .]"
1 34 GLN 10.941 0.912 7 7 "[** *. + 1 * *-]"
1 35 GLN 8.327 0.887 4 3 "[* +. 1 -]"
1 36 GLU 1.020 0.251 1 0 "[ . 1 .]"
1 37 GLN 7.756 0.912 7 4 "[ * . + 1 - *.]"
1 38 CYS 5.152 0.912 7 4 "[ * . + 1 - *.]"
1 39 ASP 1.033 0.286 3 0 "[ . 1 .]"
1 40 PRO 0.242 0.129 5 0 "[ . 1 .]"
1 41 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 42 ILE 6.310 0.887 4 3 "[* +. 1 -]"
1 43 THR 3.401 0.559 1 1 "[+ . 1 .]"
1 44 ILE 1.496 0.487 1 0 "[ . 1 .]"
1 45 ALA 0.047 0.029 2 0 "[ . 1 .]"
1 46 HIS 0.681 0.091 13 0 "[ . 1 .]"
1 47 MET 0.000 0.000 . 0 "[ . 1 .]"
1 48 GLY 1.193 0.183 1 0 "[ . 1 .]"
1 49 GLU 0.561 0.170 5 0 "[ . 1 .]"
1 50 CYS 0.000 0.000 . 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 20 SER H 1 42 ILE H 4.200 . 6.000 5.262 5.168 5.332 . 0 0 "[ . 1 .]" 2
2 1 20 SER H 1 22 GLY H 4.300 . 6.000 3.988 3.931 4.036 . 0 0 "[ . 1 .]" 2
3 1 15 TYR HA 1 16 PRO HD3 2.100 . 2.600 2.091 2.021 2.139 . 0 0 "[ . 1 .]" 2
4 1 17 VAL H 1 18 CYS H 3.600 . 5.200 3.710 3.635 3.819 . 0 0 "[ . 1 .]" 2
5 1 18 CYS H 1 46 HIS HE1 4.500 . 6.000 4.387 4.013 4.661 . 0 0 "[ . 1 .]" 2
6 1 17 VAL H 1 19 GLY H 5.200 . 6.000 5.234 4.886 5.420 . 0 0 "[ . 1 .]" 2
7 1 17 VAL H 1 25 TYR H 3.300 . 4.600 3.111 2.932 3.275 . 0 0 "[ . 1 .]" 2
8 1 18 CYS H 1 19 GLY H 4.200 . 6.000 4.054 3.962 4.117 . 0 0 "[ . 1 .]" 2
9 1 18 CYS H 1 25 TYR H 4.300 . 6.000 4.071 3.988 4.106 . 0 0 "[ . 1 .]" 2
10 1 21 ASP H 1 45 ALA H 5.000 . 6.000 5.067 4.973 5.160 . 0 0 "[ . 1 .]" 2
11 1 14 TRP HH2 1 26 SER H 4.400 . 6.000 3.834 3.601 3.940 . 0 0 "[ . 1 .]" 2
12 1 2 GLU H 1 3 ASP H 2.800 . 3.800 2.117 1.749 2.445 0.051 13 0 "[ . 1 .]" 2
13 1 5 VAL H 1 6 GLY H 3.000 . 4.100 3.920 3.901 3.948 . 0 0 "[ . 1 .]" 2
14 1 2 GLU H 1 4 CYS H 5.000 . 6.000 5.233 4.949 5.635 . 0 0 "[ . 1 .]" 2
15 1 30 ASN QD 1 31 PHE H 4.300 . 6.000 3.923 3.612 4.188 . 0 0 "[ . 1 .]" 2
16 1 23 VAL H 1 46 HIS H 4.200 . 6.000 4.725 4.500 4.948 . 0 0 "[ . 1 .]" 2
17 1 4 CYS H 1 34 GLN H 4.400 . 6.000 5.532 5.113 5.947 . 0 0 "[ . 1 .]" 2
18 1 11 THR H 1 27 ASN QD 4.000 . 6.000 3.353 3.174 3.588 . 0 0 "[ . 1 .]" 2
19 1 3 ASP H 1 4 CYS H 3.200 . 4.500 3.501 3.421 3.565 . 0 0 "[ . 1 .]" 2
20 1 10 CYS H 1 30 ASN H 5.000 . 6.000 3.710 3.498 3.898 . 0 0 "[ . 1 .]" 2
21 1 4 CYS H 1 34 GLN HE21 3.900 . 5.800 4.897 4.167 5.310 . 0 0 "[ . 1 .]" 2
22 1 3 ASP H 1 38 CYS H 4.700 . 6.000 5.703 5.384 6.105 0.105 15 0 "[ . 1 .]" 2
23 1 14 TRP HZ2 1 49 GLU H 4.700 . 6.000 5.216 4.670 5.610 . 0 0 "[ . 1 .]" 2
24 1 33 ALA H 1 35 GLN H 3.900 . 5.800 3.584 2.785 3.855 . 0 0 "[ . 1 .]" 2
25 1 30 ASN QD 1 34 GLN HE22 4.700 . 6.000 4.960 4.244 5.601 . 0 0 "[ . 1 .]" 2
26 1 17 VAL H 1 18 CYS HA 4.100 . 6.000 3.768 3.242 4.003 . 0 0 "[ . 1 .]" 2
27 1 40 PRO HA 1 41 ASN H 3.900 . 5.800 2.744 2.721 2.767 . 0 0 "[ . 1 .]" 2
28 1 35 GLN H 1 40 PRO HA 3.400 . 4.800 4.717 4.444 4.929 0.129 5 0 "[ . 1 .]" 2
29 1 7 ARG HA 1 30 ASN QD 3.000 . 4.200 2.403 2.042 2.694 . 0 0 "[ . 1 .]" 2
30 1 10 CYS H 1 11 THR HB 3.700 . 5.400 4.683 4.006 5.235 . 0 0 "[ . 1 .]" 2
31 1 3 ASP H 1 3 ASP HA 3.200 . 4.500 2.749 2.720 2.759 . 0 0 "[ . 1 .]" 2
32 1 11 THR H 1 11 THR HA 2.600 . 3.500 2.573 2.455 2.659 . 0 0 "[ . 1 .]" 2
33 1 11 THR HA 1 14 TRP HE3 4.700 . 6.000 4.142 3.712 4.473 . 0 0 "[ . 1 .]" 2
34 1 7 ARG H 1 9 ALA HA 4.800 . 6.000 3.601 3.201 4.043 . 0 0 "[ . 1 .]" 2
35 1 8 LYS HA 1 30 ASN QD 4.600 . 6.000 3.726 3.235 3.931 . 0 0 "[ . 1 .]" 2
36 1 29 CYS HA 1 30 ASN QD 5.600 . 6.000 5.061 4.335 5.538 . 0 0 "[ . 1 .]" 2
37 1 29 CYS HA 1 31 PHE H 4.200 . 6.000 4.443 4.250 4.598 . 0 0 "[ . 1 .]" 2
38 1 29 CYS HA 1 33 ALA H 4.000 . 6.000 3.507 3.386 3.643 . 0 0 "[ . 1 .]" 2
39 1 29 CYS HA 1 34 GLN H 5.600 . 6.000 5.783 5.689 5.906 . 0 0 "[ . 1 .]" 2
40 1 11 THR H 1 26 SER QB 3.800 . 6.000 5.348 4.791 5.700 . 0 0 "[ . 1 .]" 2
41 1 28 PRO HA 1 30 ASN H 3.700 . 5.400 3.593 3.485 3.724 . 0 0 "[ . 1 .]" 2
42 1 13 GLU HA 1 14 TRP HE3 3.300 . 6.000 5.902 5.795 6.029 0.029 2 0 "[ . 1 .]" 2
43 1 42 ILE H 1 42 ILE HA 2.900 . 3.900 2.783 2.754 2.815 . 0 0 "[ . 1 .]" 2
44 1 20 SER HA 1 46 HIS H 5.900 . 6.000 5.423 5.264 5.633 . 0 0 "[ . 1 .]" 2
45 1 14 TRP HH2 1 16 PRO HA 5.000 . 6.000 5.442 4.736 5.771 . 0 0 "[ . 1 .]" 2
46 1 32 SER HB3 1 34 GLN H 6.000 . 6.000 4.633 4.500 4.907 . 0 0 "[ . 1 .]" 2
47 1 35 GLN H 1 35 GLN HA 2.900 . 4.000 2.695 2.531 2.767 . 0 0 "[ . 1 .]" 2
48 1 12 ARG HE 1 28 PRO HD2 4.100 . 6.000 4.643 3.113 5.449 . 0 0 "[ . 1 .]" 2
49 1 14 TRP HH2 1 49 GLU HA 4.200 . 6.000 5.009 4.779 5.097 . 0 0 "[ . 1 .]" 2
50 1 5 VAL H 1 6 GLY HA2 4.800 . 6.000 5.420 5.306 5.551 . 0 0 "[ . 1 .]" 2
51 1 6 GLY H 1 6 GLY HA2 2.900 . 3.900 2.159 1.897 2.569 0.003 10 0 "[ . 1 .]" 2
52 1 31 PHE HZ 1 42 ILE HA 3.800 . 5.600 4.405 4.001 4.911 . 0 0 "[ . 1 .]" 2
53 1 3 ASP H 1 3 ASP HB3 3.300 . 4.600 2.549 2.402 2.764 . 0 0 "[ . 1 .]" 2
54 1 14 TRP HB3 1 14 TRP HZ2 4.500 . 6.000 5.757 5.416 6.121 0.121 10 0 "[ . 1 .]" 2
55 1 29 CYS H 1 29 CYS HB3 2.300 . 2.900 2.115 2.023 2.183 . 0 0 "[ . 1 .]" 2
56 1 12 ARG HE 1 29 CYS HB3 2.900 . 4.000 2.548 2.359 2.670 . 0 0 "[ . 1 .]" 2
57 1 10 CYS HB3 1 12 ARG HE 6.000 . 6.000 4.355 3.817 4.731 . 0 0 "[ . 1 .]" 2
58 1 14 TRP HB2 1 26 SER H 4.400 . 6.000 5.930 5.685 6.051 0.051 3 0 "[ . 1 .]" 2
59 1 14 TRP HB2 1 15 TYR H 3.400 . 4.800 2.818 2.421 3.178 . 0 0 "[ . 1 .]" 2
60 1 30 ASN HB3 1 34 GLN H 4.200 . 6.000 3.924 3.847 3.967 . 0 0 "[ . 1 .]" 2
61 1 12 ARG HE 1 29 CYS HB2 3.200 . 4.400 2.386 1.996 2.697 0.004 6 0 "[ . 1 .]" 2
62 1 6 GLY H 1 6 GLY HA3 2.500 . 3.300 2.391 2.311 2.540 . 0 0 "[ . 1 .]" 2
63 1 6 GLY HA3 1 7 ARG HE 3.800 . 5.600 5.087 4.758 5.330 . 0 0 "[ . 1 .]" 2
64 1 4 CYS HB3 1 5 VAL H 2.700 . 6.000 3.920 3.600 4.131 . 0 0 "[ . 1 .]" 2
65 1 15 TYR HB3 1 27 ASN H 3.100 . 6.000 5.242 5.021 5.388 . 0 0 "[ . 1 .]" 2
66 1 41 ASN H 1 41 ASN HB3 2.800 . 3.800 2.938 2.512 3.385 . 0 0 "[ . 1 .]" 2
67 1 4 CYS H 1 38 CYS HB2 2.900 . 3.900 3.004 2.802 3.271 . 0 0 "[ . 1 .]" 2
68 1 34 GLN HE21 1 38 CYS HB2 3.000 . 4.100 3.745 2.972 4.216 0.116 4 0 "[ . 1 .]" 2
69 1 9 ALA H 1 10 CYS HB2 3.900 . 5.800 3.866 3.623 4.138 . 0 0 "[ . 1 .]" 2
70 1 25 TYR HB3 1 26 SER H 2.700 . 3.600 2.837 2.723 2.939 . 0 0 "[ . 1 .]" 2
71 1 10 CYS HB2 1 11 THR H 4.700 . 6.000 3.734 2.812 3.955 . 0 0 "[ . 1 .]" 2
72 1 30 ASN HB2 1 30 ASN QD 2.900 . 3.900 3.053 2.885 3.273 . 0 0 "[ . 1 .]" 2
73 1 34 GLN HA 1 39 ASP H 3.700 . 5.500 4.264 3.887 4.566 . 0 0 "[ . 1 .]" 2
74 1 10 CYS HB2 1 27 ASN QD 4.000 . 6.000 3.466 2.253 3.796 . 0 0 "[ . 1 .]" 2
75 1 35 GLN H 1 36 GLU HG3 2.000 . 6.000 4.339 4.182 4.552 . 0 0 "[ . 1 .]" 2
76 1 23 VAL HB 1 35 GLN HE22 2.300 . 6.000 4.104 3.288 5.247 . 0 0 "[ . 1 .]" 2
77 1 14 TRP HZ2 1 49 GLU QB 4.400 . 6.000 2.459 2.147 2.711 . 0 0 "[ . 1 .]" 2
78 1 6 GLY H 1 34 GLN QB 3.000 . 6.000 5.290 5.050 5.545 . 0 0 "[ . 1 .]" 2
79 1 33 ALA H 1 34 GLN QB 4.000 . 6.000 3.620 3.571 3.694 . 0 0 "[ . 1 .]" 2
80 1 34 GLN QB 1 35 GLN H 2.500 . 3.300 2.435 2.095 2.578 . 0 0 "[ . 1 .]" 2
81 1 30 ASN QD 1 34 GLN QB 4.000 . 6.000 2.481 2.172 2.751 . 0 0 "[ . 1 .]" 2
82 1 36 GLU HB2 1 37 GLN H 3.100 . 4.300 2.463 2.161 2.997 . 0 0 "[ . 1 .]" 2
83 1 34 GLN H 1 34 GLN QG 4.100 . 6.000 3.949 3.863 3.998 . 0 0 "[ . 1 .]" 2
84 1 34 GLN HE21 1 34 GLN QG 2.800 . 3.800 1.798 1.485 2.172 0.315 1 0 "[ . 1 .]" 2
85 1 34 GLN QG 1 39 ASP H 4.000 . 6.000 3.480 3.169 3.806 . 0 0 "[ . 1 .]" 2
86 1 13 GLU HB3 1 30 ASN H 4.300 . 6.000 5.464 4.962 6.057 0.057 4 0 "[ . 1 .]" 2
87 1 40 PRO QB 1 41 ASN H 2.900 . 3.900 3.263 3.139 3.397 . 0 0 "[ . 1 .]" 2
88 1 5 VAL HB 1 6 GLY H 2.600 . 6.000 3.499 3.075 3.584 . 0 0 "[ . 1 .]" 2
89 1 14 TRP HZ2 1 49 GLU QB 5.300 . 6.000 3.260 2.588 3.824 . 0 0 "[ . 1 .]" 2
90 1 36 GLU H 1 36 GLU HB3 3.300 . 4.700 2.305 2.224 2.390 . 0 0 "[ . 1 .]" 2
91 1 5 VAL HB 1 34 GLN HE21 3.700 . 5.400 5.389 5.060 5.651 0.251 1 0 "[ . 1 .]" 2
92 1 35 GLN HB3 1 42 ILE H 4.800 . 6.000 4.843 4.040 5.112 . 0 0 "[ . 1 .]" 2
93 1 35 GLN HB3 1 39 ASP H 4.700 . 6.000 4.327 3.752 4.875 . 0 0 "[ . 1 .]" 2
94 1 7 ARG HB2 1 8 LYS H 3.600 . 5.200 3.458 3.008 4.044 . 0 0 "[ . 1 .]" 2
95 1 7 ARG HB2 1 34 GLN HE21 4.200 . 6.000 5.368 3.651 6.076 0.076 13 0 "[ . 1 .]" 2
96 1 7 ARG HB2 1 34 GLN HE22 3.900 . 5.800 4.848 3.201 5.866 0.066 13 0 "[ . 1 .]" 2
97 1 31 PHE H 1 34 GLN QB 4.500 . 6.000 4.312 4.143 4.499 . 0 0 "[ . 1 .]" 2
98 1 30 ASN QD 1 34 GLN QB 3.000 . 4.200 2.474 2.167 2.739 . 0 0 "[ . 1 .]" 2
99 1 34 GLN QB 1 35 GLN H 2.900 . 3.900 2.410 2.190 2.536 . 0 0 "[ . 1 .]" 2
100 1 7 ARG HE 1 7 ARG QG 2.900 . 4.000 2.071 1.968 2.148 . 0 0 "[ . 1 .]" 2
101 1 7 ARG HE 1 7 ARG QG 4.400 . 6.000 2.405 2.249 2.691 . 0 0 "[ . 1 .]" 2
102 1 18 CYS HB3 1 45 ALA H 4.100 . 6.000 3.403 3.246 3.541 . 0 0 "[ . 1 .]" 2
103 1 16 PRO HG3 1 48 GLY H 5.600 . 6.000 4.778 4.588 5.122 . 0 0 "[ . 1 .]" 2
104 1 14 TRP HD1 1 16 PRO HG3 3.300 . 4.700 2.403 2.210 2.587 . 0 0 "[ . 1 .]" 2
105 1 21 ASP H 1 42 ILE HG12 2.900 . 4.000 4.087 3.996 4.215 0.215 12 0 "[ . 1 .]" 2
106 1 27 ASN HA 1 29 CYS HB2 3.000 . 6.000 4.572 4.451 4.688 . 0 0 "[ . 1 .]" 2
107 1 18 CYS HA 1 23 VAL HB 5.300 . 6.000 5.458 5.228 5.883 . 0 0 "[ . 1 .]" 2
108 1 23 VAL HB 1 24 THR HA 4.200 . 6.000 4.176 3.862 5.082 . 0 0 "[ . 1 .]" 2
109 1 2 GLU HA 1 38 CYS HB3 3.900 . 5.800 5.590 4.923 5.873 0.073 5 0 "[ . 1 .]" 2
110 1 2 GLU HA 1 38 CYS HB3 3.400 . 6.000 5.708 4.932 6.058 0.058 5 0 "[ . 1 .]" 2
111 1 2 GLU HA 1 4 CYS HB3 4.600 . 6.000 4.361 4.149 5.263 . 0 0 "[ . 1 .]" 2
112 1 19 GLY HA3 1 31 PHE HA 2.800 . 6.000 5.573 5.354 5.757 . 0 0 "[ . 1 .]" 2
113 1 19 GLY HA3 1 23 VAL HB 4.200 . 6.000 4.058 3.802 4.925 . 0 0 "[ . 1 .]" 2
114 1 40 PRO HA 1 40 PRO HD2 4.200 . 6.000 3.826 3.721 4.004 . 0 0 "[ . 1 .]" 2
115 1 35 GLN HB3 1 40 PRO HA 2.900 . 4.000 2.502 2.016 3.041 . 0 0 "[ . 1 .]" 2
116 1 5 VAL HA 1 5 VAL HB 2.500 . 3.300 2.348 2.163 2.697 . 0 0 "[ . 1 .]" 2
117 1 16 PRO HG3 1 47 MET HA 4.300 . 6.000 4.280 4.163 4.394 . 0 0 "[ . 1 .]" 2
118 1 5 VAL HA 1 23 VAL HB 5.100 . 6.000 5.514 5.222 5.892 . 0 0 "[ . 1 .]" 2
119 1 5 VAL HA 1 34 GLN QB 3.100 . 6.000 5.101 4.892 5.281 . 0 0 "[ . 1 .]" 2
120 1 4 CYS HA 1 34 GLN QB 4.500 . 6.000 5.141 4.778 5.399 . 0 0 "[ . 1 .]" 2
121 1 30 ASN HA 1 31 PHE HB2 4.100 . 6.000 5.656 5.603 5.759 . 0 0 "[ . 1 .]" 2
122 1 15 TYR HA 1 16 PRO HG3 3.700 . 5.500 4.199 4.143 4.245 . 0 0 "[ . 1 .]" 2
123 1 15 TYR HA 1 16 PRO HB3 2.000 . 6.000 4.660 4.616 4.705 . 0 0 "[ . 1 .]" 2
124 1 11 THR HA 1 14 TRP HB2 4.600 . 6.000 4.493 4.265 4.636 . 0 0 "[ . 1 .]" 2
125 1 18 CYS HB2 1 21 ASP HA 4.700 . 6.000 5.557 5.289 6.041 0.041 8 0 "[ . 1 .]" 2
126 1 3 ASP HA 1 5 VAL HB 6.000 . 6.000 4.597 4.348 4.853 . 0 0 "[ . 1 .]" 2
127 1 8 LYS HD3 1 30 ASN HA 3.600 . 6.000 5.961 5.108 6.183 0.183 1 0 "[ . 1 .]" 2
128 1 8 LYS HB3 1 9 ALA HA 4.900 . 6.000 4.040 2.910 4.654 . 0 0 "[ . 1 .]" 2
129 1 11 THR HA 1 27 ASN HB3 3.900 . 5.800 4.603 4.480 4.760 . 0 0 "[ . 1 .]" 2
130 1 11 THR HA 1 27 ASN HB2 3.300 . 6.000 5.541 5.254 5.918 . 0 0 "[ . 1 .]" 2
131 1 9 ALA HA 1 10 CYS HB2 3.800 . 5.600 4.198 3.916 4.591 . 0 0 "[ . 1 .]" 2
132 1 8 LYS HA 1 34 GLN QB 2.700 . 6.000 4.755 4.275 5.246 . 0 0 "[ . 1 .]" 2
133 1 10 CYS HA 1 10 CYS HB2 2.500 . 3.300 2.270 2.208 2.449 . 0 0 "[ . 1 .]" 2
134 1 5 VAL HB 1 38 CYS HA 4.300 . 6.000 4.483 4.205 4.626 . 0 0 "[ . 1 .]" 2
135 1 35 GLN HB3 1 39 ASP HA 4.300 . 6.000 4.255 4.064 4.623 . 0 0 "[ . 1 .]" 2
136 1 36 GLU HB3 1 37 GLN HA 2.700 . 6.000 4.378 4.243 4.554 . 0 0 "[ . 1 .]" 2
137 1 10 CYS HB2 1 29 CYS HA 4.400 . 6.000 5.055 4.798 5.189 . 0 0 "[ . 1 .]" 2
138 1 17 VAL HA 1 18 CYS HB3 4.000 . 6.000 3.877 3.748 4.121 . 0 0 "[ . 1 .]" 2
139 1 13 GLU HA 1 14 TRP HB2 5.700 . 6.000 4.242 4.197 4.321 . 0 0 "[ . 1 .]" 2
140 1 17 VAL HA 1 18 CYS HB2 6.000 . 6.000 4.241 4.106 4.429 . 0 0 "[ . 1 .]" 2
141 1 17 VAL HA 1 44 ILE HG12 4.300 . 6.000 4.971 4.665 5.391 . 0 0 "[ . 1 .]" 2
142 1 15 TYR HB2 1 28 PRO HA 5.100 . 6.000 4.468 4.346 4.595 . 0 0 "[ . 1 .]" 2
143 1 28 PRO HA 1 34 GLN QB 5.200 . 6.000 5.725 5.225 6.887 0.887 4 3 "[* +. 1 -]" 2
144 1 1 ALA HA 1 37 GLN QB 4.400 . 6.000 4.246 4.026 4.535 . 0 0 "[ . 1 .]" 2
145 1 18 CYS HB2 1 20 SER HA 3.600 . 5.200 5.268 5.117 5.412 0.212 13 0 "[ . 1 .]" 2
146 1 1 ALA HA 1 37 GLN QB 4.200 . 6.000 4.557 4.147 5.055 . 0 0 "[ . 1 .]" 2
147 1 7 ARG QB 1 24 THR HB 4.300 . 6.000 4.786 3.988 6.113 0.113 11 0 "[ . 1 .]" 2
148 1 22 GLY HA2 1 50 CYS HB2 3.700 . 5.400 3.977 2.253 4.456 . 0 0 "[ . 1 .]" 2
149 1 16 PRO HA 1 49 GLU QB 3.100 . 4.300 3.896 3.649 4.073 . 0 0 "[ . 1 .]" 2
150 1 18 CYS HB2 1 22 GLY HA2 3.300 . 6.000 5.178 4.338 5.448 . 0 0 "[ . 1 .]" 2
151 1 16 PRO HA 1 49 GLU QB 3.000 . 4.100 3.813 3.596 3.965 . 0 0 "[ . 1 .]" 2
152 1 7 ARG HB2 1 24 THR HB 4.200 . 6.000 4.967 4.212 5.404 . 0 0 "[ . 1 .]" 2
153 1 22 GLY HA2 1 42 ILE HB 1.800 . 6.000 5.502 4.528 6.029 0.029 11 0 "[ . 1 .]" 2
154 1 28 PRO HB3 1 28 PRO HD2 3.700 . 5.400 3.386 3.008 3.587 . 0 0 "[ . 1 .]" 2
155 1 6 GLY HA2 1 7 ARG HB2 2.500 . 6.000 4.979 4.280 5.597 . 0 0 "[ . 1 .]" 2
156 1 20 SER HB3 1 42 ILE HG12 3.200 . 4.500 4.210 3.928 4.799 0.299 1 0 "[ . 1 .]" 2
157 1 20 SER HB3 1 42 ILE HG13 2.900 . 4.000 3.691 3.320 3.992 . 0 0 "[ . 1 .]" 2
158 1 20 SER HB3 1 42 ILE HG13 4.800 . 6.000 4.127 3.478 4.862 . 0 0 "[ . 1 .]" 2
159 1 34 GLN HA 1 34 GLN QG 2.900 . 3.900 2.598 2.357 2.946 . 0 0 "[ . 1 .]" 2
160 1 16 PRO HD2 1 27 ASN HB3 4.000 . 6.000 5.314 5.229 5.439 . 0 0 "[ . 1 .]" 2
161 1 16 PRO HG3 1 48 GLY HA2 3.100 . 4.300 3.775 3.512 4.011 . 0 0 "[ . 1 .]" 2
162 1 14 TRP HB3 1 16 PRO HB3 4.400 . 6.000 4.524 4.264 4.871 . 0 0 "[ . 1 .]" 2
163 1 14 TRP HB2 1 16 PRO HB3 4.200 . 6.000 5.883 5.742 6.020 0.020 15 0 "[ . 1 .]" 2
164 1 23 VAL HB 1 50 CYS HB3 3.700 . 5.400 5.126 4.781 5.370 . 0 0 "[ . 1 .]" 2
165 1 5 VAL HB 1 6 GLY HA3 4.800 . 6.000 4.311 3.904 4.456 . 0 0 "[ . 1 .]" 2
166 1 17 VAL HB 1 25 TYR HB2 5.300 . 6.000 4.229 4.076 4.349 . 0 0 "[ . 1 .]" 2
167 1 30 ASN HB2 1 34 GLN QB 4.500 . 6.000 5.155 4.580 5.417 . 0 0 "[ . 1 .]" 2
168 1 10 CYS HB2 1 34 GLN QG 2.400 . 6.000 4.444 2.964 5.292 . 0 0 "[ . 1 .]" 2
169 1 10 CYS HB2 1 12 ARG HB3 3.200 . 6.000 5.652 4.266 6.286 0.286 3 0 "[ . 1 .]" 2
170 1 23 VAL HB 1 34 GLN QB 2.100 . 6.000 5.361 5.215 5.471 . 0 0 "[ . 1 .]" 2
171 1 7 ARG HB2 1 34 GLN QB 2.000 . 6.000 4.838 4.045 5.450 . 0 0 "[ . 1 .]" 2
172 1 25 TYR HB3 1 31 PHE HA 1.900 . 6.000 3.650 3.409 3.939 . 0 0 "[ . 1 .]" 2
173 1 25 TYR QB 1 31 PHE HA 3.100 . 4.300 3.500 3.266 3.780 . 0 0 "[ . 1 .]" 2
174 1 27 ASN HB3 1 29 CYS HB2 3.700 . 5.400 4.570 4.411 4.834 . 0 0 "[ . 1 .]" 2
175 1 23 VAL HA 1 23 VAL HB 2.800 . 3.800 1.856 1.784 1.935 0.016 5 0 "[ . 1 .]" 2
176 1 33 ALA HA 1 36 GLU HG3 3.300 . 4.700 2.972 2.760 3.120 . 0 0 "[ . 1 .]" 2
177 1 18 CYS HB2 1 49 GLU QB 3.200 . 6.000 4.767 4.297 5.270 . 0 0 "[ . 1 .]" 2
178 1 34 GLN QB 1 34 GLN QG 3.100 . 4.300 2.000 1.961 2.056 . 0 0 "[ . 1 .]" 2
179 1 30 ASN QD 1 35 GLN H 5.100 . 6.000 4.699 4.475 4.922 . 0 0 "[ . 1 .]" 2
180 1 14 TRP H 1 14 TRP HD1 3.900 . 5.800 4.196 4.146 4.248 . 0 0 "[ . 1 .]" 2
181 1 7 ARG H 1 7 ARG HE 4.300 . 6.000 3.964 3.614 4.118 . 0 0 "[ . 1 .]" 2
182 1 12 ARG HE 1 30 ASN H 3.900 . 5.800 4.190 4.005 4.244 . 0 0 "[ . 1 .]" 2
183 1 4 CYS H 1 34 GLN HE22 4.900 . 6.000 5.188 4.129 5.655 . 0 0 "[ . 1 .]" 2
184 1 7 ARG HE 1 9 ALA H 4.100 . 6.000 5.592 5.146 6.034 0.034 5 0 "[ . 1 .]" 2
185 1 12 ARG HE 1 29 CYS H 2.200 . 2.800 2.814 2.467 2.891 0.091 13 0 "[ . 1 .]" 2
186 1 10 CYS H 1 30 ASN QD 4.000 . 6.000 3.996 3.387 4.370 . 0 0 "[ . 1 .]" 2
187 1 13 GLU H 1 15 TYR H 4.000 . 6.000 3.893 3.758 4.070 . 0 0 "[ . 1 .]" 2
188 1 13 GLU H 1 14 TRP H 4.200 . 6.000 3.971 3.884 4.119 . 0 0 "[ . 1 .]" 2
189 1 4 CYS H 1 34 GLN HE21 4.000 . 6.000 5.374 4.261 6.080 0.080 6 0 "[ . 1 .]" 2
190 1 30 ASN H 1 31 PHE H 2.500 . 3.300 2.398 2.343 2.460 . 0 0 "[ . 1 .]" 2
191 1 21 ASP H 1 42 ILE H 6.000 . 6.000 5.928 5.715 6.077 0.077 12 0 "[ . 1 .]" 2
192 1 12 ARG H 1 13 GLU H 2.900 . 3.900 2.051 1.777 2.327 0.123 4 0 "[ . 1 .]" 2
193 1 17 VAL H 1 26 SER H 6.000 . 6.000 4.884 4.769 4.992 . 0 0 "[ . 1 .]" 2
194 1 38 CYS HA 1 39 ASP H 2.600 . 3.400 2.823 2.814 2.833 . 0 0 "[ . 1 .]" 2
195 1 40 PRO HA 1 42 ILE H 3.000 . 4.100 3.247 3.012 3.365 . 0 0 "[ . 1 .]" 2
196 1 20 SER H 1 21 ASP H 2.700 . 3.600 2.583 2.453 2.697 . 0 0 "[ . 1 .]" 2
197 1 11 THR H 1 12 ARG HE 6.000 . 6.000 5.632 4.530 6.170 0.170 5 0 "[ . 1 .]" 2
198 1 21 ASP H 1 35 GLN HE21 5.800 . 6.000 5.202 4.810 5.520 . 0 0 "[ . 1 .]" 2
199 1 22 GLY H 1 35 GLN HE21 4.900 . 6.000 5.941 5.550 6.487 0.487 1 0 "[ . 1 .]" 2
200 1 35 GLN HE21 1 42 ILE HA 5.800 . 6.000 6.089 5.628 6.559 0.559 1 1 "[+ . 1 .]" 2
201 1 33 ALA H 1 37 GLN H 3.400 . 6.000 5.827 5.569 6.014 0.014 4 0 "[ . 1 .]" 2
202 1 33 ALA HA 1 37 GLN H 3.200 . 4.500 3.320 3.244 3.379 . 0 0 "[ . 1 .]" 2
203 1 34 GLN HE21 1 38 CYS HA 6.000 . 6.000 5.506 4.654 6.103 0.103 6 0 "[ . 1 .]" 2
204 1 4 CYS H 1 34 GLN HE22 4.700 . 6.000 5.281 4.139 5.746 . 0 0 "[ . 1 .]" 2
205 1 7 ARG HE 1 34 GLN HE22 3.600 . 6.000 5.127 4.349 5.635 . 0 0 "[ . 1 .]" 2
206 1 34 GLN HE22 1 38 CYS HA 6.000 . 6.000 6.113 4.787 6.912 0.912 7 4 "[ * . + 1 - *.]" 2
207 1 6 GLY HA3 1 34 GLN HE22 2.700 . 6.000 3.807 3.236 4.110 . 0 0 "[ . 1 .]" 2
208 1 16 PRO HA 1 25 TYR H 3.400 . 4.900 3.981 3.885 4.054 . 0 0 "[ . 1 .]" 2
209 1 14 TRP HE1 1 15 TYR HA 5.200 . 6.000 5.129 4.874 5.268 . 0 0 "[ . 1 .]" 2
210 1 7 ARG QG 1 8 LYS H 2.500 . 6.000 2.562 2.004 3.112 . 0 0 "[ . 1 .]" 2
211 1 7 ARG QG 1 9 ALA H 3.200 . 4.500 4.188 3.779 4.397 . 0 0 "[ . 1 .]" 2
212 1 7 ARG QD 1 24 THR H 6.000 . 6.000 5.182 3.924 5.855 . 0 0 "[ . 1 .]" 2
213 1 18 CYS H 1 46 HIS HB2 6.000 . 6.000 5.467 5.251 5.627 . 0 0 "[ . 1 .]" 2
214 1 4 CYS H 1 34 GLN QG 5.200 . 6.000 5.123 4.569 5.477 . 0 0 "[ . 1 .]" 2
215 1 10 CYS H 1 10 CYS HB2 2.500 . 3.300 2.932 2.465 3.308 0.008 4 0 "[ . 1 .]" 2
216 1 7 ARG QG 1 10 CYS H 3.800 . 6.000 4.813 4.044 5.586 . 0 0 "[ . 1 .]" 2
217 1 12 ARG HG3 1 30 ASN H 5.200 . 6.000 5.538 5.305 5.724 . 0 0 "[ . 1 .]" 2
218 1 8 LYS HB3 1 30 ASN H 5.900 . 6.000 5.623 5.149 5.827 . 0 0 "[ . 1 .]" 2
219 1 35 GLN H 1 36 GLU HG3 6.000 . 6.000 5.031 4.805 5.221 . 0 0 "[ . 1 .]" 2
220 1 31 PHE H 1 34 GLN QG 6.000 . 6.000 5.948 5.634 6.314 0.314 1 0 "[ . 1 .]" 2
221 1 3 ASP H 1 37 GLN QB 3.200 . 6.000 5.734 5.194 5.941 . 0 0 "[ . 1 .]" 2
222 1 20 SER HA 1 21 ASP H 3.100 . 4.300 3.345 3.328 3.366 . 0 0 "[ . 1 .]" 2
223 1 25 TYR QB 1 26 SER H 3.000 . 4.100 2.793 2.688 2.885 . 0 0 "[ . 1 .]" 2
224 1 38 CYS HB2 1 39 ASP H 2.500 . 3.300 2.055 1.801 2.469 . 0 0 "[ . 1 .]" 2
225 1 34 GLN QG 1 39 ASP H 3.000 . 6.000 3.486 3.172 3.816 . 0 0 "[ . 1 .]" 2
226 1 34 GLN QB 1 39 ASP H 4.400 . 6.000 4.966 4.614 5.299 . 0 0 "[ . 1 .]" 2
227 1 32 SER H 1 34 GLN QB 6.000 . 6.000 4.966 4.838 5.171 . 0 0 "[ . 1 .]" 2
228 1 19 GLY H 1 20 SER HA 5.300 . 6.000 4.527 4.379 4.593 . 0 0 "[ . 1 .]" 2
229 1 6 GLY H 1 7 ARG QG 6.000 . 6.000 5.419 5.156 5.594 . 0 0 "[ . 1 .]" 2
230 1 34 GLN HA 1 38 CYS H 3.200 . 4.500 3.877 3.525 4.118 . 0 0 "[ . 1 .]" 2
231 1 36 GLU HG3 1 38 CYS H 4.700 . 6.000 4.598 4.338 4.859 . 0 0 "[ . 1 .]" 2
232 1 34 GLN QG 1 38 CYS H 2.800 . 6.000 4.124 3.896 4.428 . 0 0 "[ . 1 .]" 2
233 1 34 GLN QB 1 38 CYS H 5.300 . 6.000 5.150 4.892 5.277 . 0 0 "[ . 1 .]" 2
234 1 10 CYS HB2 1 27 ASN QD 4.600 . 6.000 3.432 2.252 3.743 . 0 0 "[ . 1 .]" 2
235 1 16 PRO HG3 1 48 GLY H 3.700 . 5.500 4.847 4.634 5.220 . 0 0 "[ . 1 .]" 2
236 1 16 PRO HG3 1 17 VAL H 4.600 . 6.000 5.222 5.184 5.246 . 0 0 "[ . 1 .]" 2
237 1 25 TYR HB3 1 35 GLN HE21 6.000 . 6.000 5.630 4.234 6.086 0.086 13 0 "[ . 1 .]" 2
238 1 34 GLN QG 1 37 GLN H 2.400 . 6.000 4.798 4.608 5.164 . 0 0 "[ . 1 .]" 2
239 1 34 GLN QB 1 34 GLN HE22 4.100 . 6.000 3.995 3.608 4.337 . 0 0 "[ . 1 .]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 87
_Distance_constraint_stats_list.Viol_total 97.458
_Distance_constraint_stats_list.Viol_max 0.233
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0167
_Distance_constraint_stats_list.Viol_average_violations_only 0.0747
_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 17 VAL 0.069 0.039 8 0 "[ . 1 .]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 19 GLY 3.296 0.233 11 0 "[ . 1 .]"
1 20 SER 0.076 0.040 12 0 "[ . 1 .]"
1 23 VAL 3.296 0.233 11 0 "[ . 1 .]"
1 25 TYR 0.069 0.039 8 0 "[ . 1 .]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 29 CYS 0.014 0.008 2 0 "[ . 1 .]"
1 30 ASN 0.684 0.094 7 0 "[ . 1 .]"
1 31 PHE 0.564 0.160 15 0 "[ . 1 .]"
1 32 SER 0.006 0.006 11 0 "[ . 1 .]"
1 33 ALA 1.725 0.195 4 0 "[ . 1 .]"
1 34 GLN 0.760 0.094 7 0 "[ . 1 .]"
1 35 GLN 0.564 0.160 15 0 "[ . 1 .]"
1 36 GLU 0.006 0.006 11 0 "[ . 1 .]"
1 37 GLN 1.711 0.195 4 0 "[ . 1 .]"
1 38 CYS 0.076 0.071 3 0 "[ . 1 .]"
1 43 THR 0.076 0.040 12 0 "[ . 1 .]"
1 45 ALA 0.000 0.000 . 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 17 VAL H 1 25 TYR O 1.800 . 2.100 2.022 1.928 2.139 0.039 8 0 "[ . 1 .]" 3
2 1 17 VAL N 1 25 TYR O 2.800 2.500 3.100 2.968 2.880 3.084 . 0 0 "[ . 1 .]" 3
3 1 17 VAL O 1 25 TYR H 1.800 . 2.100 1.832 1.716 1.999 . 0 0 "[ . 1 .]" 3
4 1 17 VAL O 1 25 TYR N 2.800 2.500 3.100 2.777 2.663 2.900 . 0 0 "[ . 1 .]" 3
5 1 19 GLY H 1 23 VAL O 1.800 . 2.100 1.797 1.684 1.968 . 0 0 "[ . 1 .]" 3
6 1 19 GLY N 1 23 VAL O 2.800 2.500 3.100 2.744 2.608 2.929 . 0 0 "[ . 1 .]" 3
7 1 19 GLY O 1 23 VAL H 1.800 . 2.100 2.266 2.234 2.333 0.233 11 0 "[ . 1 .]" 3
8 1 19 GLY O 1 23 VAL N 2.800 2.500 3.100 3.153 3.107 3.191 0.091 1 0 "[ . 1 .]" 3
9 1 20 SER H 1 43 THR O 1.800 . 2.100 2.017 1.783 2.140 0.040 12 0 "[ . 1 .]" 3
10 1 20 SER N 1 43 THR O 2.800 2.500 3.100 2.736 2.621 2.857 . 0 0 "[ . 1 .]" 3
11 1 28 PRO O 1 32 SER H 1.800 . 2.100 1.765 1.683 1.918 . 0 0 "[ . 1 .]" 3
12 1 28 PRO O 1 32 SER N 2.800 2.500 3.100 2.730 2.644 2.891 . 0 0 "[ . 1 .]" 3
13 1 29 CYS O 1 33 ALA H 1.800 . 2.100 1.934 1.770 2.108 0.008 2 0 "[ . 1 .]" 3
14 1 29 CYS O 1 33 ALA N 2.800 2.500 3.100 2.888 2.729 3.056 . 0 0 "[ . 1 .]" 3
15 1 30 ASN O 1 34 GLN H 1.800 . 2.100 2.128 1.965 2.194 0.094 7 0 "[ . 1 .]" 3
16 1 30 ASN O 1 34 GLN N 2.800 2.500 3.100 3.034 2.872 3.120 0.020 14 0 "[ . 1 .]" 3
17 1 31 PHE O 1 35 GLN H 1.800 . 2.100 2.084 1.942 2.260 0.160 15 0 "[ . 1 .]" 3
18 1 31 PHE O 1 35 GLN N 2.800 2.500 3.100 2.949 2.825 3.181 0.081 15 0 "[ . 1 .]" 3
19 1 32 SER O 1 36 GLU H 1.800 . 2.100 1.913 1.810 2.106 0.006 11 0 "[ . 1 .]" 3
20 1 32 SER O 1 36 GLU N 2.800 2.500 3.100 2.851 2.771 3.040 . 0 0 "[ . 1 .]" 3
21 1 33 ALA O 1 37 GLN H 1.800 . 2.100 2.195 2.120 2.295 0.195 4 0 "[ . 1 .]" 3
22 1 33 ALA O 1 37 GLN N 2.800 2.500 3.100 3.074 2.950 3.216 0.116 4 0 "[ . 1 .]" 3
23 1 34 GLN O 1 38 CYS H 1.800 . 2.100 2.008 1.837 2.171 0.071 3 0 "[ . 1 .]" 3
24 1 34 GLN O 1 38 CYS N 2.800 2.500 3.100 2.788 2.685 2.893 . 0 0 "[ . 1 .]" 3
25 1 18 CYS O 1 45 ALA H 1.800 . 2.100 1.722 1.665 1.786 . 0 0 "[ . 1 .]" 3
26 1 18 CYS O 1 45 ALA N 2.800 2.500 3.100 2.675 2.602 2.751 . 0 0 "[ . 1 .]" 3
stop_
save_