NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
536796 |
2lbn   |
17571 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lbn
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 750
_Distance_constraint_stats_list.Viol_count 3757
_Distance_constraint_stats_list.Viol_total 9016.263
_Distance_constraint_stats_list.Viol_max 1.648
_Distance_constraint_stats_list.Viol_rms 0.0759
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0273
_Distance_constraint_stats_list.Viol_average_violations_only 0.1143
_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 2 VAL 0.351 0.231 1 0 "[ . 1 . 2 ]"
1 3 LEU 9.243 1.097 1 1 "[+ . 1 . 2 ]"
1 4 ASP 9.182 1.097 1 1 "[+ . 1 . 2 ]"
1 5 LEU 26.850 1.648 16 3 "[* . 1- .+ 2 ]"
1 6 ASP 18.991 0.957 1 2 "[+ . 1* . 2 ]"
1 7 VAL 17.193 1.648 16 3 "[* . 1- .+ 2 ]"
1 8 ARG 14.291 0.838 1 2 "[+ . - 1 . 2 ]"
1 9 THR 7.665 0.503 7 1 "[ . + 1 . 2 ]"
1 10 CYS 1.035 0.178 19 0 "[ . 1 . 2 ]"
1 11 LEU 0.061 0.020 12 0 "[ . 1 . 2 ]"
1 12 PRO 4.159 0.453 1 0 "[ . 1 . 2 ]"
1 13 CYS 6.506 0.506 1 1 "[+ . 1 . 2 ]"
1 14 GLY 6.420 0.506 1 1 "[+ . 1 . 2 ]"
1 15 PRO 7.979 0.614 1 1 "[+ . 1 . 2 ]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 17 GLY 11.829 0.578 1 1 "[+ . 1 . 2 ]"
1 18 LYS 27.811 0.610 1 1 "[+ . 1 . 2 ]"
1 19 GLY 13.615 0.311 1 0 "[ . 1 . 2 ]"
1 20 ARG 12.133 0.852 5 1 "[ + 1 . 2 ]"
1 21 CYS 4.124 0.353 5 0 "[ . 1 . 2 ]"
1 22 PHE 5.636 0.385 18 0 "[ . 1 . 2 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 PRO 0.805 0.059 5 0 "[ . 1 . 2 ]"
1 25 SER 0.170 0.170 1 0 "[ . 1 . 2 ]"
1 26 ILE 5.636 0.385 18 0 "[ . 1 . 2 ]"
1 27 CYS 5.174 0.313 13 0 "[ . 1 . 2 ]"
1 28 CYS 5.517 0.338 5 0 "[ . 1 . 2 ]"
1 29 GLY 11.844 0.762 1 1 "[+ . 1 . 2 ]"
1 30 ASP 2.815 0.146 19 0 "[ . 1 . 2 ]"
1 31 GLU 3.936 0.468 1 0 "[ . 1 . 2 ]"
1 32 LEU 16.867 0.762 1 1 "[+ . 1 . 2 ]"
1 33 GLY 8.553 0.290 1 0 "[ . 1 . 2 ]"
1 34 CYS 26.874 1.600 8 13 "[ ** .**+ 1-* ** ***2*]"
1 35 PHE 1.909 0.614 1 1 "[+ . 1 . 2 ]"
1 36 VAL 0.215 0.170 1 0 "[ . 1 . 2 ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 THR 0.281 0.048 19 0 "[ . 1 . 2 ]"
1 39 ALA 0.364 0.073 1 0 "[ . 1 . 2 ]"
1 40 GLU 2.657 0.082 5 0 "[ . 1 . 2 ]"
1 41 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 LEU 10.334 0.359 5 0 "[ . 1 . 2 ]"
1 43 ARG 5.225 0.173 20 0 "[ . 1 . 2 ]"
1 44 CYS 10.228 0.511 1 1 "[+ . 1 . 2 ]"
1 45 GLN 7.120 0.196 1 0 "[ . 1 . 2 ]"
1 46 GLU 1.335 0.511 1 1 "[+ . 1 . 2 ]"
1 47 GLU 2.669 0.196 1 0 "[ . 1 . 2 ]"
1 48 ASN 3.208 0.201 9 0 "[ . 1 . 2 ]"
1 49 TYR 0.090 0.035 9 0 "[ . 1 . 2 ]"
1 50 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 CYS 3.587 0.439 1 0 "[ . 1 . 2 ]"
1 55 GLN 2.085 0.282 21 0 "[ . 1 . 2 ]"
1 56 SER 1.787 0.202 9 0 "[ . 1 . 2 ]"
1 57 GLY 1.129 0.184 1 0 "[ . 1 . 2 ]"
1 58 GLN 8.791 0.862 1 1 "[+ . 1 . 2 ]"
1 59 LYS 4.710 0.554 1 1 "[+ . 1 . 2 ]"
1 60 PRO 10.078 0.862 1 1 "[+ . 1 . 2 ]"
1 61 CYS 7.566 0.252 1 0 "[ . 1 . 2 ]"
1 62 GLY 6.157 0.200 1 0 "[ . 1 . 2 ]"
1 63 SER 7.257 0.358 1 0 "[ . 1 . 2 ]"
1 64 GLY 6.387 0.358 1 0 "[ . 1 . 2 ]"
1 65 GLY 8.467 0.268 21 0 "[ . 1 . 2 ]"
1 66 ARG 12.980 0.270 21 0 "[ . 1 . 2 ]"
1 67 CYS 13.369 0.603 1 1 "[+ . 1 . 2 ]"
1 68 ALA 1.853 0.229 1 0 "[ . 1 . 2 ]"
1 69 ALA 3.874 0.288 9 0 "[ . 1 . 2 ]"
1 70 ALA 1.486 0.202 20 0 "[ . 1 . 2 ]"
1 71 GLY 3.786 0.165 13 0 "[ . 1 . 2 ]"
1 72 ILE 32.611 1.600 8 14 "[*** .**+ 1-* ** ***2*]"
1 73 CYS 10.752 0.644 1 1 "[+ . 1 . 2 ]"
1 74 CYS 3.661 0.348 1 0 "[ . 1 . 2 ]"
1 75 SER 12.877 0.466 1 0 "[ . 1 . 2 ]"
1 76 PRO 0.562 0.322 1 0 "[ . 1 . 2 ]"
1 77 ASP 4.147 0.451 1 0 "[ . 1 . 2 ]"
1 78 GLY 7.549 0.229 21 0 "[ . 1 . 2 ]"
1 79 CYS 10.251 0.513 1 1 "[+ . 1 . 2 ]"
1 80 GLU 19.208 0.644 1 1 "[+ . 1 . 2 ]"
1 81 GLU 9.038 0.362 1 0 "[ . 1 . 2 ]"
1 82 ASP 8.533 0.723 1 1 "[+ . 1 . 2 ]"
1 83 PRO 1.152 0.152 1 0 "[ . 1 . 2 ]"
1 84 ALA 7.406 0.362 1 0 "[ . 1 . 2 ]"
1 85 CYS 17.677 0.723 1 1 "[+ . 1 . 2 ]"
1 86 ASP 6.321 0.362 1 0 "[ . 1 . 2 ]"
1 87 PRO 9.567 0.419 9 0 "[ . 1 . 2 ]"
1 88 GLU 16.374 0.419 9 0 "[ . 1 . 2 ]"
1 89 ALA 5.223 0.679 14 2 "[ . -1 +. 2 ]"
1 90 ALA 5.893 0.887 1 3 "[+ . -1 *. 2 ]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 92 SER 0.986 0.887 1 1 "[+ . 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 2 VAL HA 1 3 LEU H 2.250 . 2.700 2.460 2.168 2.931 0.231 1 0 "[ . 1 . 2 ]" 1
2 1 2 VAL HB 1 3 LEU H 2.550 . 3.300 2.679 1.802 3.327 0.027 5 0 "[ . 1 . 2 ]" 1
3 1 3 LEU HA 1 3 LEU QB 2.250 . 2.700 2.469 2.138 2.532 . 0 0 "[ . 1 . 2 ]" 1
4 1 3 LEU HA 1 3 LEU MD1 2.250 . 3.200 1.758 1.483 3.134 0.317 18 0 "[ . 1 . 2 ]" 1
5 1 3 LEU QB 1 3 LEU MD1 2.250 . 3.200 2.478 2.048 2.543 . 0 0 "[ . 1 . 2 ]" 1
6 1 3 LEU H 1 3 LEU HA 2.250 . 2.700 2.779 2.660 2.873 0.173 1 0 "[ . 1 . 2 ]" 1
7 1 3 LEU H 1 3 LEU QB 2.550 . 3.300 2.164 2.018 2.954 . 0 0 "[ . 1 . 2 ]" 1
8 1 3 LEU H 1 3 LEU MD1 2.550 . 3.800 3.169 1.597 4.038 0.238 1 0 "[ . 1 . 2 ]" 1
9 1 3 LEU QB 1 5 LEU HA 3.400 . 5.000 4.813 4.024 4.989 . 0 0 "[ . 1 . 2 ]" 1
10 1 3 LEU QB 1 5 LEU H 3.400 . 5.000 3.534 1.855 4.999 . 0 0 "[ . 1 . 2 ]" 1
11 1 3 LEU HA 1 55 GLN H 3.400 . 5.000 4.314 2.612 5.282 0.282 21 0 "[ . 1 . 2 ]" 1
12 1 3 LEU QB 1 4 ASP HA 3.400 . 5.500 4.137 3.716 5.154 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 LEU MD1 1 4 ASP HA 3.400 . 5.500 4.646 3.877 5.150 . 0 0 "[ . 1 . 2 ]" 1
14 1 3 LEU HA 1 4 ASP H 2.250 . 2.700 2.410 2.142 2.976 0.276 1 0 "[ . 1 . 2 ]" 1
15 1 3 LEU QB 1 4 ASP H 2.250 . 2.700 2.392 1.311 3.797 1.097 1 1 "[+ . 1 . 2 ]" 1
16 1 3 LEU MD1 1 4 ASP H 2.550 . 3.800 2.460 2.147 4.078 0.278 1 0 "[ . 1 . 2 ]" 1
17 1 4 ASP HA 1 4 ASP QB 2.550 . 3.300 2.389 2.341 2.443 . 0 0 "[ . 1 . 2 ]" 1
18 1 4 ASP H 1 4 ASP HA 2.250 . 2.700 2.798 2.243 2.899 0.199 19 0 "[ . 1 . 2 ]" 1
19 1 4 ASP H 1 4 ASP QB 2.250 . 2.700 2.347 2.164 3.058 0.358 1 0 "[ . 1 . 2 ]" 1
20 1 4 ASP HA 1 5 LEU H 2.550 . 3.300 3.390 3.091 3.513 0.213 21 0 "[ . 1 . 2 ]" 1
21 1 4 ASP HA 1 55 GLN H 3.400 . 5.000 4.621 2.089 5.168 0.168 7 0 "[ . 1 . 2 ]" 1
22 1 4 ASP QB 1 5 LEU H 2.250 . 2.700 2.145 1.755 2.972 0.272 19 0 "[ . 1 . 2 ]" 1
23 1 5 LEU HA 1 5 LEU HB3 2.250 . 2.700 2.476 2.244 3.039 0.339 11 0 "[ . 1 . 2 ]" 1
24 1 5 LEU HA 1 5 LEU MD1 3.400 . 5.500 3.340 1.803 3.986 . 0 0 "[ . 1 . 2 ]" 1
25 1 5 LEU HA 1 5 LEU HG 3.400 . 5.000 3.913 3.052 4.274 . 0 0 "[ . 1 . 2 ]" 1
26 1 5 LEU H 1 5 LEU HA 2.250 . 2.700 2.816 2.497 2.946 0.246 11 0 "[ . 1 . 2 ]" 1
27 1 5 LEU H 1 5 LEU HB3 2.250 . 2.700 2.746 2.385 3.637 0.937 16 2 "[- . 1 .+ 2 ]" 1
28 1 5 LEU H 1 5 LEU MD1 2.550 . 3.800 2.388 1.486 4.220 0.420 11 0 "[ . 1 . 2 ]" 1
29 1 5 LEU HA 1 6 ASP H 2.550 . 3.300 3.271 2.824 3.485 0.185 11 0 "[ . 1 . 2 ]" 1
30 1 5 LEU HB3 1 6 ASP H 2.550 . 3.300 3.218 1.717 4.044 0.744 1 1 "[+ . 1 . 2 ]" 1
31 1 5 LEU MD1 1 6 ASP H 2.250 . 3.200 2.089 1.469 4.118 0.918 11 1 "[ . 1+ . 2 ]" 1
32 1 5 LEU H 1 6 ASP H 3.400 . 5.000 3.302 1.644 4.395 0.156 1 0 "[ . 1 . 2 ]" 1
33 1 6 ASP HA 1 6 ASP HB3 2.550 . 3.300 2.804 2.663 3.017 . 0 0 "[ . 1 . 2 ]" 1
34 1 6 ASP H 1 6 ASP HA 2.250 . 2.700 2.813 2.690 2.866 0.166 9 0 "[ . 1 . 2 ]" 1
35 1 6 ASP H 1 6 ASP HB3 2.550 . 3.300 3.376 3.328 3.444 0.144 12 0 "[ . 1 . 2 ]" 1
36 1 6 ASP H 1 6 ASP HB2 2.250 . 2.700 2.522 2.053 3.527 0.827 1 1 "[+ . 1 . 2 ]" 1
37 1 6 ASP H 1 7 VAL HA 3.400 . 5.000 4.579 4.178 5.045 0.045 13 0 "[ . 1 . 2 ]" 1
38 1 6 ASP H 1 7 VAL MG1 3.400 . 5.500 4.022 3.237 4.620 . 0 0 "[ . 1 . 2 ]" 1
39 1 6 ASP HB2 1 7 VAL H 2.550 . 3.300 3.246 2.802 4.257 0.957 1 1 "[+ . 1 . 2 ]" 1
40 1 6 ASP H 1 7 VAL H 2.250 . 2.700 2.172 1.669 2.456 0.131 8 0 "[ . 1 . 2 ]" 1
41 1 7 VAL HA 1 7 VAL HB 2.250 . 2.700 2.475 2.387 2.753 0.053 2 0 "[ . 1 . 2 ]" 1
42 1 7 VAL HA 1 7 VAL MG1 2.250 . 3.200 2.420 2.210 2.939 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 VAL H 1 7 VAL MG1 2.250 . 3.200 2.605 2.229 2.906 . 0 0 "[ . 1 . 2 ]" 1
44 1 7 VAL H 1 7 VAL HA 2.250 . 2.700 2.883 2.820 2.945 0.245 11 0 "[ . 1 . 2 ]" 1
45 1 7 VAL H 1 7 VAL HB 3.400 . 5.000 3.571 1.956 3.883 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 VAL H 1 8 ARG HA 3.400 . 5.000 4.718 4.396 5.118 0.118 9 0 "[ . 1 . 2 ]" 1
47 1 3 LEU MD1 1 8 ARG H 3.400 . 5.500 4.293 2.937 4.778 . 0 0 "[ . 1 . 2 ]" 1
48 1 5 LEU H 1 8 ARG H 3.400 . 5.000 4.220 2.666 5.136 0.136 19 0 "[ . 1 . 2 ]" 1
49 1 7 VAL HB 1 8 ARG HA 3.400 . 5.000 4.867 4.557 5.232 0.232 2 0 "[ . 1 . 2 ]" 1
50 1 7 VAL HA 1 8 ARG H 2.550 . 3.300 3.150 2.461 3.331 0.031 17 0 "[ . 1 . 2 ]" 1
51 1 7 VAL HB 1 8 ARG H 3.400 . 5.000 4.288 3.859 4.493 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 VAL MG1 1 8 ARG H 3.400 . 5.500 4.147 3.067 4.395 . 0 0 "[ . 1 . 2 ]" 1
53 1 7 VAL H 1 8 ARG H 3.400 . 5.000 2.521 1.909 3.269 . 0 0 "[ . 1 . 2 ]" 1
54 1 8 ARG HA 1 8 ARG HB3 2.250 . 2.700 2.554 2.415 2.700 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 ARG HA 1 8 ARG HG3 2.250 . 2.700 2.698 2.409 2.839 0.139 9 0 "[ . 1 . 2 ]" 1
56 1 8 ARG HB3 1 8 ARG HD3 2.250 . 2.700 2.560 2.358 3.072 0.372 1 0 "[ . 1 . 2 ]" 1
57 1 8 ARG HB3 1 8 ARG HG3 2.550 . 3.300 2.973 2.931 2.997 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 ARG HB2 1 8 ARG HD3 2.250 . 2.700 2.731 2.621 3.308 0.608 1 1 "[+ . 1 . 2 ]" 1
59 1 8 ARG HB2 1 8 ARG HG3 2.250 . 2.700 2.512 2.407 2.649 . 0 0 "[ . 1 . 2 ]" 1
60 1 8 ARG HB3 1 8 ARG HD2 2.550 . 3.300 3.307 2.798 3.380 0.080 20 0 "[ . 1 . 2 ]" 1
61 1 8 ARG H 1 8 ARG HA 2.250 . 2.700 2.807 2.664 2.921 0.221 1 0 "[ . 1 . 2 ]" 1
62 1 8 ARG H 1 8 ARG HB3 2.550 . 3.300 3.497 3.393 3.740 0.440 9 0 "[ . 1 . 2 ]" 1
63 1 8 ARG H 1 8 ARG HG3 2.250 . 2.700 2.719 1.996 3.538 0.838 1 1 "[+ . 1 . 2 ]" 1
64 1 8 ARG HA 1 9 THR H 2.250 . 2.700 2.479 2.159 3.203 0.503 7 1 "[ . + 1 . 2 ]" 1
65 1 8 ARG HB3 1 9 THR H 2.550 . 3.300 2.520 1.766 3.547 0.247 7 0 "[ . 1 . 2 ]" 1
66 1 8 ARG HG3 1 9 THR H 3.400 . 5.000 4.516 4.180 4.884 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 THR HA 1 9 THR HB 2.250 . 2.700 2.686 2.138 2.958 0.258 20 0 "[ . 1 . 2 ]" 1
68 1 9 THR HA 1 9 THR MG 2.250 . 3.200 2.315 2.012 2.782 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 THR H 1 9 THR HA 2.250 . 2.700 2.659 2.188 2.920 0.220 1 0 "[ . 1 . 2 ]" 1
70 1 9 THR H 1 9 THR HB 2.550 . 3.300 3.423 3.334 3.654 0.354 1 0 "[ . 1 . 2 ]" 1
71 1 9 THR H 1 9 THR MG 3.400 . 5.500 3.277 2.085 4.137 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 CYS H 1 55 GLN HB3 2.550 . 3.300 3.303 2.600 3.478 0.178 19 0 "[ . 1 . 2 ]" 1
73 1 9 THR HA 1 10 CYS H 2.250 . 2.700 2.429 2.154 2.743 0.043 20 0 "[ . 1 . 2 ]" 1
74 1 11 LEU HA 1 11 LEU MD1 2.250 . 3.200 2.309 1.850 2.688 . 0 0 "[ . 1 . 2 ]" 1
75 1 11 LEU HA 1 11 LEU HG 2.250 . 2.700 2.530 2.257 2.720 0.020 12 0 "[ . 1 . 2 ]" 1
76 1 11 LEU H 1 11 LEU HB3 3.400 . 5.000 3.118 2.550 3.563 . 0 0 "[ . 1 . 2 ]" 1
77 1 11 LEU HA 1 12 PRO HD3 2.250 . 2.700 2.085 1.815 2.434 . 0 0 "[ . 1 . 2 ]" 1
78 1 11 LEU HA 1 12 PRO HD2 2.250 . 2.700 2.500 2.145 2.713 0.013 19 0 "[ . 1 . 2 ]" 1
79 1 12 PRO HA 1 12 PRO HB3 2.250 . 2.700 2.259 2.235 2.312 . 0 0 "[ . 1 . 2 ]" 1
80 1 12 PRO HA 1 20 ARG HA 2.550 . 3.300 2.470 2.025 2.933 . 0 0 "[ . 1 . 2 ]" 1
81 1 12 PRO HA 1 20 ARG HD3 3.400 . 5.000 5.025 4.293 5.291 0.291 1 0 "[ . 1 . 2 ]" 1
82 1 12 PRO HA 1 21 CYS H 3.400 . 5.000 4.538 4.109 4.978 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 PRO HA 1 13 CYS H 2.250 . 2.700 2.401 2.258 2.595 . 0 0 "[ . 1 . 2 ]" 1
84 1 12 PRO HB3 1 13 CYS H 2.550 . 3.300 2.717 2.590 2.963 . 0 0 "[ . 1 . 2 ]" 1
85 1 12 PRO HB2 1 13 CYS H 2.550 . 3.300 2.829 2.247 3.260 . 0 0 "[ . 1 . 2 ]" 1
86 1 13 CYS HA 1 13 CYS HB3 2.550 . 3.300 2.971 2.749 3.014 . 0 0 "[ . 1 . 2 ]" 1
87 1 13 CYS H 1 13 CYS HA 2.250 . 2.700 2.866 2.837 2.899 0.199 1 0 "[ . 1 . 2 ]" 1
88 1 13 CYS H 1 13 CYS HB3 2.550 . 3.300 2.982 2.792 3.427 0.127 13 0 "[ . 1 . 2 ]" 1
89 1 13 CYS H 1 14 GLY H 3.400 . 5.000 4.176 4.063 4.384 . 0 0 "[ . 1 . 2 ]" 1
90 1 13 CYS H 1 19 GLY H 2.550 . 3.300 2.544 2.227 3.022 . 0 0 "[ . 1 . 2 ]" 1
91 1 13 CYS H 1 20 ARG HA 3.400 . 5.000 2.849 2.452 3.184 . 0 0 "[ . 1 . 2 ]" 1
92 1 13 CYS QB 1 43 ARG QB 2.550 . 3.800 3.036 2.879 3.197 . 0 0 "[ . 1 . 2 ]" 1
93 1 13 CYS HA 1 14 GLY H 2.250 . 2.700 2.758 2.485 2.829 0.129 15 0 "[ . 1 . 2 ]" 1
94 1 13 CYS HB3 1 14 GLY H 2.250 . 2.700 2.499 1.769 3.206 0.506 1 1 "[+ . 1 . 2 ]" 1
95 1 14 GLY H 1 14 GLY HA3 2.250 . 2.700 2.747 2.726 2.824 0.124 1 0 "[ . 1 . 2 ]" 1
96 1 14 GLY H 1 43 ARG HB3 3.400 . 5.000 4.436 3.216 5.034 0.034 10 0 "[ . 1 . 2 ]" 1
97 1 14 GLY H 1 43 ARG H 3.400 . 5.000 4.638 4.007 4.987 . 0 0 "[ . 1 . 2 ]" 1
98 1 14 GLY HA3 1 15 PRO HD3 2.250 . 2.700 2.462 2.308 2.620 . 0 0 "[ . 1 . 2 ]" 1
99 1 14 GLY HA2 1 15 PRO HD3 2.250 . 2.700 2.850 2.812 2.957 0.257 1 0 "[ . 1 . 2 ]" 1
100 1 14 GLY H 1 15 PRO HD3 3.400 . 5.000 4.901 4.828 5.032 0.032 1 0 "[ . 1 . 2 ]" 1
101 1 14 GLY HA2 1 15 PRO HD2 3.400 . 5.000 3.404 3.298 3.478 . 0 0 "[ . 1 . 2 ]" 1
102 1 15 PRO HB3 1 15 PRO HD3 2.250 . 2.700 2.847 2.801 3.008 0.308 1 0 "[ . 1 . 2 ]" 1
103 1 15 PRO HD3 1 15 PRO HG3 2.250 . 2.700 2.316 2.304 2.343 . 0 0 "[ . 1 . 2 ]" 1
104 1 15 PRO HB3 1 15 PRO HD2 3.400 . 5.000 3.759 3.738 3.845 . 0 0 "[ . 1 . 2 ]" 1
105 1 15 PRO HD2 1 15 PRO HG3 2.250 . 2.700 2.712 2.704 2.728 0.028 1 0 "[ . 1 . 2 ]" 1
106 1 15 PRO HD3 1 35 PHE HZ 3.400 . 5.000 5.026 4.593 5.614 0.614 1 1 "[+ . 1 . 2 ]" 1
107 1 12 PRO HG3 1 17 GLY HA3 2.550 . 3.300 3.429 3.365 3.753 0.453 1 0 "[ . 1 . 2 ]" 1
108 1 12 PRO HB3 1 17 GLY HA2 3.400 . 5.000 2.119 1.765 2.805 0.035 11 0 "[ . 1 . 2 ]" 1
109 1 12 PRO HG3 1 17 GLY HA2 3.400 . 5.000 3.953 3.748 4.188 . 0 0 "[ . 1 . 2 ]" 1
110 1 16 GLY H 1 17 GLY HA2 3.400 . 5.000 4.709 4.531 4.890 . 0 0 "[ . 1 . 2 ]" 1
111 1 17 GLY H 1 17 GLY HA3 2.250 . 2.700 2.799 2.767 2.815 0.115 9 0 "[ . 1 . 2 ]" 1
112 1 17 GLY H 1 17 GLY HA2 2.250 . 2.700 2.766 2.748 2.858 0.158 1 0 "[ . 1 . 2 ]" 1
113 1 17 GLY HA3 1 18 LYS H 2.550 . 3.300 3.422 3.393 3.530 0.230 1 0 "[ . 1 . 2 ]" 1
114 1 17 GLY HA2 1 18 LYS H 2.550 . 3.300 2.771 2.704 2.859 . 0 0 "[ . 1 . 2 ]" 1
115 1 17 GLY H 1 18 LYS HA 3.400 . 5.000 3.903 3.854 4.043 . 0 0 "[ . 1 . 2 ]" 1
116 1 17 GLY H 1 18 LYS HB2 2.550 . 3.300 3.427 3.349 3.878 0.578 1 1 "[+ . 1 . 2 ]" 1
117 1 17 GLY H 1 18 LYS H 2.250 . 2.700 1.817 1.741 2.136 0.059 13 0 "[ . 1 . 2 ]" 1
118 1 18 LYS HA 1 18 LYS HB3 2.250 . 2.700 2.724 2.710 2.747 0.047 9 0 "[ . 1 . 2 ]" 1
119 1 18 LYS HA 1 18 LYS HD3 2.250 . 2.700 2.796 2.762 2.943 0.243 1 0 "[ . 1 . 2 ]" 1
120 1 18 LYS HA 1 18 LYS HD2 2.250 . 2.700 1.750 1.711 1.906 0.089 15 0 "[ . 1 . 2 ]" 1
121 1 18 LYS HA 1 18 LYS HG3 2.550 . 3.300 2.804 2.703 2.864 . 0 0 "[ . 1 . 2 ]" 1
122 1 18 LYS HA 1 18 LYS HG2 3.400 . 5.000 3.582 3.558 3.608 . 0 0 "[ . 1 . 2 ]" 1
123 1 18 LYS HB3 1 18 LYS HG3 2.250 . 2.700 2.259 2.239 2.296 . 0 0 "[ . 1 . 2 ]" 1
124 1 18 LYS HB2 1 18 LYS HD3 2.250 . 2.700 2.721 2.685 2.746 0.046 10 0 "[ . 1 . 2 ]" 1
125 1 18 LYS HB2 1 18 LYS HG3 2.550 . 3.300 2.949 2.935 2.975 . 0 0 "[ . 1 . 2 ]" 1
126 1 18 LYS H 1 18 LYS HB2 2.250 . 2.700 1.972 1.926 2.094 . 0 0 "[ . 1 . 2 ]" 1
127 1 18 LYS HB3 1 18 LYS HD3 3.400 . 5.000 3.696 3.682 3.725 . 0 0 "[ . 1 . 2 ]" 1
128 1 18 LYS HD3 1 18 LYS HG2 2.250 . 2.700 2.445 2.410 2.479 . 0 0 "[ . 1 . 2 ]" 1
129 1 18 LYS HB3 1 18 LYS HD2 2.550 . 3.300 3.498 3.462 3.619 0.319 1 0 "[ . 1 . 2 ]" 1
130 1 18 LYS HD2 1 18 LYS HE3 2.550 . 3.300 2.844 2.224 2.960 . 0 0 "[ . 1 . 2 ]" 1
131 1 18 LYS HD2 1 18 LYS HG3 2.250 . 2.700 2.408 2.390 2.428 . 0 0 "[ . 1 . 2 ]" 1
132 1 18 LYS HD2 1 18 LYS HG2 2.550 . 3.300 2.985 2.954 3.006 . 0 0 "[ . 1 . 2 ]" 1
133 1 18 LYS H 1 18 LYS HD2 2.550 . 3.300 3.382 3.323 3.411 0.111 19 0 "[ . 1 . 2 ]" 1
134 1 18 LYS HD3 1 18 LYS HE3 2.250 . 2.700 2.720 2.663 2.924 0.224 5 0 "[ . 1 . 2 ]" 1
135 1 18 LYS HE3 1 18 LYS HG3 2.250 . 2.700 2.702 2.646 2.767 0.067 5 0 "[ . 1 . 2 ]" 1
136 1 18 LYS HD3 1 18 LYS HG3 2.550 . 3.300 3.003 2.979 3.017 . 0 0 "[ . 1 . 2 ]" 1
137 1 18 LYS H 1 18 LYS HA 2.250 . 2.700 2.774 2.729 2.809 0.109 1 0 "[ . 1 . 2 ]" 1
138 1 18 LYS H 1 18 LYS HB3 2.550 . 3.300 3.295 3.242 3.409 0.109 1 0 "[ . 1 . 2 ]" 1
139 1 18 LYS H 1 18 LYS HG3 3.400 . 5.000 4.254 4.223 4.287 . 0 0 "[ . 1 . 2 ]" 1
140 1 18 LYS H 1 19 GLY H 2.250 . 2.700 2.574 2.378 2.861 0.161 5 0 "[ . 1 . 2 ]" 1
141 1 18 LYS HG3 1 31 GLU HB3 3.400 . 5.000 4.878 4.423 5.027 0.027 18 0 "[ . 1 . 2 ]" 1
142 1 18 LYS HB3 1 32 LEU HB3 3.400 . 5.000 3.483 3.147 3.757 . 0 0 "[ . 1 . 2 ]" 1
143 1 18 LYS HB2 1 32 LEU MD1 3.400 . 5.500 2.405 1.949 3.261 . 0 0 "[ . 1 . 2 ]" 1
144 1 13 CYS QB 1 19 GLY H 2.550 . 3.800 3.303 2.990 3.434 . 0 0 "[ . 1 . 2 ]" 1
145 1 18 LYS HA 1 19 GLY H 2.550 . 3.300 3.428 3.352 3.542 0.242 1 0 "[ . 1 . 2 ]" 1
146 1 18 LYS HB3 1 19 GLY H 2.550 . 3.300 3.066 2.448 3.411 0.111 1 0 "[ . 1 . 2 ]" 1
147 1 18 LYS HB2 1 19 GLY H 2.550 . 3.300 2.877 2.483 3.138 . 0 0 "[ . 1 . 2 ]" 1
148 1 18 LYS HG3 1 19 GLY H 3.400 . 5.000 4.977 4.576 5.248 0.248 1 0 "[ . 1 . 2 ]" 1
149 1 18 LYS HG2 1 19 GLY H 3.400 . 5.000 4.989 4.563 5.311 0.311 1 0 "[ . 1 . 2 ]" 1
150 1 19 GLY H 1 19 GLY HA3 2.250 . 2.700 2.476 2.279 2.617 . 0 0 "[ . 1 . 2 ]" 1
151 1 19 GLY H 1 19 GLY HA2 2.250 . 2.700 2.866 2.825 2.906 0.206 1 0 "[ . 1 . 2 ]" 1
152 1 19 GLY H 1 20 ARG H 3.400 . 5.000 4.033 3.926 4.201 . 0 0 "[ . 1 . 2 ]" 1
153 1 19 GLY HA3 1 32 LEU MD1 2.250 . 3.200 2.376 2.066 2.826 . 0 0 "[ . 1 . 2 ]" 1
154 1 19 GLY HA2 1 32 LEU MD1 3.400 . 5.000 3.377 2.802 3.974 . 0 0 "[ . 1 . 2 ]" 1
155 1 19 GLY H 1 32 LEU MD1 2.550 . 3.800 2.642 2.228 2.860 . 0 0 "[ . 1 . 2 ]" 1
156 1 13 CYS HA 1 20 ARG H 3.400 . 5.000 4.994 4.829 5.102 0.102 8 0 "[ . 1 . 2 ]" 1
157 1 19 GLY HA3 1 20 ARG H 2.250 . 2.700 2.142 2.067 2.219 . 0 0 "[ . 1 . 2 ]" 1
158 1 19 GLY HA2 1 20 ARG H 2.250 . 2.700 2.815 2.705 3.003 0.303 1 0 "[ . 1 . 2 ]" 1
159 1 20 ARG HB3 1 20 ARG HG3 2.550 . 3.300 2.881 2.762 2.943 . 0 0 "[ . 1 . 2 ]" 1
160 1 20 ARG HB2 1 20 ARG HG3 2.250 . 2.700 2.698 2.569 2.787 0.087 17 0 "[ . 1 . 2 ]" 1
161 1 20 ARG HB3 1 20 ARG HD2 3.400 . 5.000 3.964 3.750 4.049 . 0 0 "[ . 1 . 2 ]" 1
162 1 20 ARG HD3 1 20 ARG HG3 2.250 . 2.700 2.750 2.436 2.900 0.200 20 0 "[ . 1 . 2 ]" 1
163 1 20 ARG H 1 20 ARG HA 2.550 . 3.300 2.842 2.823 2.868 . 0 0 "[ . 1 . 2 ]" 1
164 1 20 ARG H 1 20 ARG HB3 2.550 . 3.300 3.371 3.314 3.628 0.328 5 0 "[ . 1 . 2 ]" 1
165 1 20 ARG H 1 20 ARG HG3 2.250 . 2.700 2.845 2.758 3.552 0.852 5 1 "[ + 1 . 2 ]" 1
166 1 13 CYS HB3 1 20 ARG H 2.550 . 3.300 2.533 2.233 3.409 0.109 19 0 "[ . 1 . 2 ]" 1
167 1 20 ARG H 1 22 PHE QE 3.400 . 5.500 3.331 3.094 3.597 . 0 0 "[ . 1 . 2 ]" 1
168 1 20 ARG H 1 27 CYS HA 3.400 . 5.000 4.002 3.644 4.771 . 0 0 "[ . 1 . 2 ]" 1
169 1 20 ARG H 1 29 GLY HA3 3.400 . 5.000 4.434 4.196 4.616 . 0 0 "[ . 1 . 2 ]" 1
170 1 20 ARG H 1 29 GLY HA2 3.400 . 5.000 3.407 3.136 3.742 . 0 0 "[ . 1 . 2 ]" 1
171 1 20 ARG H 1 32 LEU MD1 3.400 . 5.500 4.080 3.791 4.442 . 0 0 "[ . 1 . 2 ]" 1
172 1 20 ARG HA 1 21 CYS H 2.550 . 3.300 2.574 2.226 2.636 . 0 0 "[ . 1 . 2 ]" 1
173 1 20 ARG HG3 1 21 CYS H 2.550 . 3.300 3.367 3.188 3.653 0.353 5 0 "[ . 1 . 2 ]" 1
174 1 21 CYS HA 1 21 CYS HB3 2.250 . 2.700 2.759 2.657 2.931 0.231 20 0 "[ . 1 . 2 ]" 1
175 1 21 CYS H 1 21 CYS HA 2.550 . 3.300 2.935 2.838 2.967 . 0 0 "[ . 1 . 2 ]" 1
176 1 21 CYS H 1 21 CYS HB3 2.550 . 3.300 3.103 2.315 3.440 0.140 8 0 "[ . 1 . 2 ]" 1
177 1 21 CYS HB3 1 22 PHE QD 3.400 . 5.500 4.754 4.564 5.035 . 0 0 "[ . 1 . 2 ]" 1
178 1 21 CYS HB2 1 22 PHE QD 3.400 . 5.500 4.944 4.657 5.137 . 0 0 "[ . 1 . 2 ]" 1
179 1 21 CYS HA 1 22 PHE H 2.550 . 3.300 2.300 2.200 2.540 . 0 0 "[ . 1 . 2 ]" 1
180 1 22 PHE HA 1 22 PHE HB3 2.250 . 2.700 2.567 2.519 2.677 . 0 0 "[ . 1 . 2 ]" 1
181 1 22 PHE HA 1 22 PHE HB2 2.550 . 3.300 3.005 2.962 3.040 . 0 0 "[ . 1 . 2 ]" 1
182 1 22 PHE H 1 22 PHE HB2 2.550 . 3.300 2.387 2.228 2.939 . 0 0 "[ . 1 . 2 ]" 1
183 1 22 PHE H 1 23 GLY H 2.550 . 3.300 2.348 1.976 2.545 . 0 0 "[ . 1 . 2 ]" 1
184 1 22 PHE HB2 1 26 ILE QG 2.550 . 3.800 3.414 3.181 3.571 . 0 0 "[ . 1 . 2 ]" 1
185 1 22 PHE HB2 1 26 ILE MG 2.250 . 3.200 1.532 1.415 1.747 0.385 18 0 "[ . 1 . 2 ]" 1
186 1 22 PHE HB2 1 27 CYS H 3.400 . 5.000 4.569 3.552 4.958 . 0 0 "[ . 1 . 2 ]" 1
187 1 23 GLY H 1 26 ILE HB 3.400 . 5.000 4.387 3.930 4.972 . 0 0 "[ . 1 . 2 ]" 1
188 1 24 PRO HA 1 24 PRO HB3 2.250 . 2.700 2.320 2.306 2.353 . 0 0 "[ . 1 . 2 ]" 1
189 1 24 PRO HB3 1 24 PRO HG3 2.250 . 2.700 2.285 2.265 2.307 . 0 0 "[ . 1 . 2 ]" 1
190 1 24 PRO HB2 1 24 PRO HG3 2.250 . 2.700 2.708 2.697 2.721 0.021 12 0 "[ . 1 . 2 ]" 1
191 1 24 PRO HB3 1 24 PRO HD3 2.550 . 3.300 3.327 3.263 3.359 0.059 5 0 "[ . 1 . 2 ]" 1
192 1 24 PRO HD3 1 24 PRO HG3 2.250 . 2.700 2.262 2.243 2.281 . 0 0 "[ . 1 . 2 ]" 1
193 1 24 PRO HB3 1 24 PRO HD2 3.400 . 5.000 3.900 3.864 3.922 . 0 0 "[ . 1 . 2 ]" 1
194 1 24 PRO HD3 1 26 ILE HB 3.400 . 5.000 3.888 3.633 4.470 . 0 0 "[ . 1 . 2 ]" 1
195 1 24 PRO HD3 1 26 ILE MD 3.400 . 5.500 3.966 3.797 4.547 . 0 0 "[ . 1 . 2 ]" 1
196 1 24 PRO HD3 1 26 ILE MG 2.550 . 3.800 3.197 3.039 3.479 . 0 0 "[ . 1 . 2 ]" 1
197 1 24 PRO HD2 1 26 ILE MD 2.250 . 3.200 2.782 2.722 3.197 . 0 0 "[ . 1 . 2 ]" 1
198 1 24 PRO HD2 1 26 ILE MG 3.400 . 5.500 2.101 1.958 2.371 . 0 0 "[ . 1 . 2 ]" 1
199 1 25 SER H 1 25 SER HA 2.550 . 3.300 2.302 2.295 2.314 . 0 0 "[ . 1 . 2 ]" 1
200 1 25 SER H 1 25 SER HB3 3.400 . 5.000 3.795 3.713 3.855 . 0 0 "[ . 1 . 2 ]" 1
201 1 25 SER HB3 1 36 VAL MG1 2.550 . 3.800 3.279 3.204 3.970 0.170 1 0 "[ . 1 . 2 ]" 1
202 1 22 PHE HB3 1 26 ILE MG 2.250 . 3.200 2.669 2.111 2.964 . 0 0 "[ . 1 . 2 ]" 1
203 1 23 GLY H 1 26 ILE H 3.400 . 5.000 3.573 3.229 4.116 . 0 0 "[ . 1 . 2 ]" 1
204 1 24 PRO HA 1 26 ILE H 3.400 . 5.000 3.830 3.636 3.985 . 0 0 "[ . 1 . 2 ]" 1
205 1 26 ILE HA 1 26 ILE MG 2.550 . 3.800 3.113 3.068 3.176 . 0 0 "[ . 1 . 2 ]" 1
206 1 26 ILE HB 1 26 ILE MD 2.250 . 3.200 2.155 2.045 2.312 . 0 0 "[ . 1 . 2 ]" 1
207 1 26 ILE H 1 26 ILE HA 2.550 . 3.300 2.910 2.892 2.939 . 0 0 "[ . 1 . 2 ]" 1
208 1 26 ILE H 1 26 ILE HB 2.550 . 3.300 2.472 2.343 2.689 . 0 0 "[ . 1 . 2 ]" 1
209 1 26 ILE H 1 26 ILE MG 2.550 . 3.800 2.554 2.297 2.788 . 0 0 "[ . 1 . 2 ]" 1
210 1 21 CYS HA 1 27 CYS HA 2.250 . 2.700 2.123 1.747 2.767 0.067 14 0 "[ . 1 . 2 ]" 1
211 1 26 ILE HA 1 27 CYS H 2.250 . 2.700 2.231 2.076 2.421 . 0 0 "[ . 1 . 2 ]" 1
212 1 26 ILE QG 1 27 CYS H 2.550 . 3.800 2.080 1.813 2.332 . 0 0 "[ . 1 . 2 ]" 1
213 1 26 ILE MG 1 27 CYS H 2.250 . 3.200 2.813 2.762 2.927 . 0 0 "[ . 1 . 2 ]" 1
214 1 27 CYS HA 1 27 CYS HB3 2.550 . 3.300 2.733 2.530 2.875 . 0 0 "[ . 1 . 2 ]" 1
215 1 27 CYS H 1 27 CYS HA 2.550 . 3.300 2.850 2.794 2.892 . 0 0 "[ . 1 . 2 ]" 1
216 1 27 CYS H 1 27 CYS HB3 2.550 . 3.300 3.518 3.325 3.613 0.313 13 0 "[ . 1 . 2 ]" 1
217 1 27 CYS H 1 28 CYS H 3.400 . 5.000 4.219 4.156 4.337 . 0 0 "[ . 1 . 2 ]" 1
218 1 22 PHE HZ 1 28 CYS HB3 3.400 . 5.000 2.421 2.118 4.091 . 0 0 "[ . 1 . 2 ]" 1
219 1 22 PHE HZ 1 28 CYS HB2 3.400 . 5.000 3.305 3.031 3.622 . 0 0 "[ . 1 . 2 ]" 1
220 1 22 PHE QE 1 28 CYS H 2.550 . 3.300 2.842 2.530 3.016 . 0 0 "[ . 1 . 2 ]" 1
221 1 26 ILE QG 1 28 CYS H 3.400 . 5.500 5.018 4.931 5.125 . 0 0 "[ . 1 . 2 ]" 1
222 1 27 CYS HA 1 28 CYS H 2.250 . 2.700 2.282 2.210 2.578 . 0 0 "[ . 1 . 2 ]" 1
223 1 27 CYS HB3 1 28 CYS H 2.550 . 3.300 3.128 2.820 3.506 0.206 14 0 "[ . 1 . 2 ]" 1
224 1 28 CYS HA 1 28 CYS HB2 2.250 . 2.700 2.719 2.587 2.934 0.234 5 0 "[ . 1 . 2 ]" 1
225 1 28 CYS HA 1 28 CYS HB3 2.550 . 3.300 2.922 2.556 2.997 . 0 0 "[ . 1 . 2 ]" 1
226 1 28 CYS H 1 28 CYS HA 2.550 . 3.300 2.891 2.854 2.909 . 0 0 "[ . 1 . 2 ]" 1
227 1 28 CYS H 1 28 CYS HB3 2.550 . 3.300 3.184 2.983 3.638 0.338 5 0 "[ . 1 . 2 ]" 1
228 1 28 CYS H 1 28 CYS HB2 3.400 . 5.000 2.854 2.454 3.038 . 0 0 "[ . 1 . 2 ]" 1
229 1 28 CYS HA 1 29 GLY H 2.250 . 2.700 2.194 2.146 2.365 . 0 0 "[ . 1 . 2 ]" 1
230 1 28 CYS H 1 29 GLY HA3 3.400 . 5.000 5.188 5.060 5.252 0.252 8 0 "[ . 1 . 2 ]" 1
231 1 28 CYS H 1 29 GLY HA2 3.400 . 5.000 4.529 4.419 4.711 . 0 0 "[ . 1 . 2 ]" 1
232 1 28 CYS HA 1 34 CYS HA 2.250 . 2.700 1.924 1.780 2.038 0.020 21 0 "[ . 1 . 2 ]" 1
233 1 20 ARG H 1 29 GLY H 3.400 . 5.000 4.499 4.243 4.903 . 0 0 "[ . 1 . 2 ]" 1
234 1 28 CYS HB3 1 29 GLY H 3.400 . 5.000 3.891 3.426 4.217 . 0 0 "[ . 1 . 2 ]" 1
235 1 28 CYS HB2 1 29 GLY H 3.400 . 5.000 4.487 4.277 4.626 . 0 0 "[ . 1 . 2 ]" 1
236 1 28 CYS H 1 29 GLY H 3.400 . 5.000 4.102 3.905 4.369 . 0 0 "[ . 1 . 2 ]" 1
237 1 29 GLY H 1 29 GLY HA2 2.250 . 2.700 2.883 2.855 2.911 0.211 1 0 "[ . 1 . 2 ]" 1
238 1 29 GLY H 1 29 GLY HA3 2.250 . 2.700 2.375 2.280 2.531 . 0 0 "[ . 1 . 2 ]" 1
239 1 29 GLY HA2 1 32 LEU HB3 3.400 . 5.000 3.233 2.818 4.109 . 0 0 "[ . 1 . 2 ]" 1
240 1 29 GLY HA2 1 32 LEU MD1 2.250 . 3.200 2.847 2.718 3.962 0.762 1 1 "[+ . 1 . 2 ]" 1
241 1 29 GLY H 1 32 LEU HB3 2.550 . 3.300 2.663 2.467 3.097 . 0 0 "[ . 1 . 2 ]" 1
242 1 29 GLY H 1 32 LEU MD1 3.400 . 5.500 3.243 2.852 3.726 . 0 0 "[ . 1 . 2 ]" 1
243 1 29 GLY H 1 33 GLY H 3.400 . 5.000 3.618 2.596 4.177 . 0 0 "[ . 1 . 2 ]" 1
244 1 29 GLY H 1 34 CYS HA 2.550 . 3.300 3.106 2.838 3.344 0.044 8 0 "[ . 1 . 2 ]" 1
245 1 29 GLY HA3 1 30 ASP H 2.550 . 3.300 2.813 2.668 2.989 . 0 0 "[ . 1 . 2 ]" 1
246 1 29 GLY HA2 1 30 ASP H 2.550 . 3.300 2.458 2.302 2.585 . 0 0 "[ . 1 . 2 ]" 1
247 1 30 ASP H 1 30 ASP HA 2.250 . 2.700 2.828 2.757 2.846 0.146 19 0 "[ . 1 . 2 ]" 1
248 1 30 ASP H 1 30 ASP HB3 2.550 . 3.300 3.071 2.552 3.360 0.060 1 0 "[ . 1 . 2 ]" 1
249 1 30 ASP HB3 1 31 GLU H 2.550 . 3.300 1.937 1.786 2.211 0.014 13 0 "[ . 1 . 2 ]" 1
250 1 31 GLU HA 1 31 GLU HB3 2.550 . 3.300 2.464 2.446 2.491 . 0 0 "[ . 1 . 2 ]" 1
251 1 31 GLU HA 1 31 GLU HG3 3.400 . 5.000 3.565 3.548 3.576 . 0 0 "[ . 1 . 2 ]" 1
252 1 31 GLU H 1 31 GLU HA 2.250 . 2.700 2.846 2.822 2.865 0.165 1 0 "[ . 1 . 2 ]" 1
253 1 31 GLU H 1 31 GLU HB3 2.250 . 2.700 2.594 2.533 2.670 . 0 0 "[ . 1 . 2 ]" 1
254 1 31 GLU H 1 31 GLU HG3 2.550 . 3.300 2.355 2.252 2.427 . 0 0 "[ . 1 . 2 ]" 1
255 1 31 GLU H 1 32 LEU HB3 3.400 . 5.000 4.929 4.356 5.468 0.468 1 0 "[ . 1 . 2 ]" 1
256 1 31 GLU H 1 32 LEU H 2.550 . 3.300 2.418 2.231 2.579 . 0 0 "[ . 1 . 2 ]" 1
257 1 15 PRO HD3 1 32 LEU MD1 2.250 . 3.200 2.711 2.668 2.857 . 0 0 "[ . 1 . 2 ]" 1
258 1 15 PRO HG3 1 32 LEU MD1 3.400 . 5.500 4.196 4.044 4.382 . 0 0 "[ . 1 . 2 ]" 1
259 1 15 PRO HB3 1 32 LEU MD2 3.400 . 5.500 4.590 4.367 4.930 . 0 0 "[ . 1 . 2 ]" 1
260 1 18 LYS HG3 1 32 LEU HB3 3.400 . 5.000 5.062 4.831 5.610 0.610 1 1 "[+ . 1 . 2 ]" 1
261 1 18 LYS H 1 32 LEU MD1 3.400 . 5.500 3.601 3.268 4.393 . 0 0 "[ . 1 . 2 ]" 1
262 1 31 GLU HG3 1 32 LEU MD1 3.400 . 5.500 4.691 4.639 5.004 . 0 0 "[ . 1 . 2 ]" 1
263 1 31 GLU HB3 1 32 LEU H 3.400 . 5.000 4.236 4.112 4.354 . 0 0 "[ . 1 . 2 ]" 1
264 1 32 LEU HA 1 32 LEU HB3 2.550 . 3.300 2.863 2.784 2.960 . 0 0 "[ . 1 . 2 ]" 1
265 1 32 LEU HA 1 32 LEU MD1 3.400 . 5.500 3.710 3.638 3.741 . 0 0 "[ . 1 . 2 ]" 1
266 1 32 LEU HB3 1 32 LEU MD1 2.250 . 3.200 2.008 1.817 2.154 . 0 0 "[ . 1 . 2 ]" 1
267 1 32 LEU HB3 1 32 LEU HG 2.250 . 2.700 2.893 2.767 2.950 0.250 1 0 "[ . 1 . 2 ]" 1
268 1 32 LEU HA 1 32 LEU HB2 2.250 . 2.700 2.713 2.548 2.827 0.127 1 0 "[ . 1 . 2 ]" 1
269 1 32 LEU HB2 1 32 LEU MD1 2.550 . 3.800 2.444 2.317 2.795 . 0 0 "[ . 1 . 2 ]" 1
270 1 32 LEU H 1 32 LEU HB2 2.550 . 3.300 1.963 1.764 2.358 0.036 8 0 "[ . 1 . 2 ]" 1
271 1 32 LEU HA 1 32 LEU MD2 2.550 . 3.800 1.797 1.714 1.889 0.086 15 0 "[ . 1 . 2 ]" 1
272 1 32 LEU H 1 32 LEU HB3 2.250 . 2.700 2.802 2.488 3.107 0.407 1 0 "[ . 1 . 2 ]" 1
273 1 32 LEU H 1 32 LEU MD1 3.400 . 5.500 3.982 3.859 4.200 . 0 0 "[ . 1 . 2 ]" 1
274 1 32 LEU H 1 33 GLY HA3 3.400 . 5.000 4.972 4.802 5.085 0.085 8 0 "[ . 1 . 2 ]" 1
275 1 32 LEU H 1 33 GLY H 2.250 . 2.700 2.351 2.114 2.682 . 0 0 "[ . 1 . 2 ]" 1
276 1 32 LEU MD1 1 35 PHE QE 3.400 . 5.500 2.175 1.553 2.612 0.247 13 0 "[ . 1 . 2 ]" 1
277 1 32 LEU MD1 1 35 PHE HZ 2.550 . 3.800 3.235 3.185 3.620 . 0 0 "[ . 1 . 2 ]" 1
278 1 32 LEU HA 1 33 GLY H 2.550 . 3.300 3.406 3.291 3.495 0.195 1 0 "[ . 1 . 2 ]" 1
279 1 32 LEU HB3 1 33 GLY H 3.400 . 5.000 3.116 2.395 3.579 . 0 0 "[ . 1 . 2 ]" 1
280 1 32 LEU MD1 1 33 GLY H 3.400 . 5.500 4.621 4.066 4.737 . 0 0 "[ . 1 . 2 ]" 1
281 1 33 GLY H 1 33 GLY HA2 2.250 . 2.700 2.330 2.311 2.388 . 0 0 "[ . 1 . 2 ]" 1
282 1 33 GLY H 1 33 GLY HA3 2.250 . 2.700 2.847 2.780 2.916 0.216 1 0 "[ . 1 . 2 ]" 1
283 1 33 GLY H 1 34 CYS H 3.400 . 5.000 4.605 4.533 4.644 . 0 0 "[ . 1 . 2 ]" 1
284 1 29 GLY H 1 34 CYS H 3.400 . 5.000 4.611 4.367 4.733 . 0 0 "[ . 1 . 2 ]" 1
285 1 33 GLY HA3 1 34 CYS H 2.250 . 2.700 2.341 2.196 2.513 . 0 0 "[ . 1 . 2 ]" 1
286 1 33 GLY HA2 1 34 CYS H 2.250 . 2.700 2.845 2.703 2.990 0.290 1 0 "[ . 1 . 2 ]" 1
287 1 34 CYS HA 1 34 CYS HB3 2.550 . 3.300 2.893 2.785 2.954 . 0 0 "[ . 1 . 2 ]" 1
288 1 34 CYS HA 1 34 CYS HB2 2.250 . 2.700 2.762 2.710 2.854 0.154 13 0 "[ . 1 . 2 ]" 1
289 1 34 CYS H 1 34 CYS HA 2.550 . 3.300 2.927 2.897 2.946 . 0 0 "[ . 1 . 2 ]" 1
290 1 34 CYS H 1 34 CYS HB3 2.550 . 3.300 3.217 3.158 3.380 0.080 13 0 "[ . 1 . 2 ]" 1
291 1 34 CYS H 1 34 CYS HB2 2.550 . 3.300 2.599 2.235 2.870 . 0 0 "[ . 1 . 2 ]" 1
292 1 34 CYS HA 1 35 PHE H 2.250 . 2.700 2.150 2.083 2.234 . 0 0 "[ . 1 . 2 ]" 1
293 1 34 CYS H 1 35 PHE H 3.400 . 5.000 4.250 3.899 4.481 . 0 0 "[ . 1 . 2 ]" 1
294 1 35 PHE H 1 36 VAL MG2 3.400 . 5.500 4.166 3.849 4.567 . 0 0 "[ . 1 . 2 ]" 1
295 1 27 CYS HA 1 35 PHE H 3.400 . 5.000 4.902 4.651 5.075 0.075 14 0 "[ . 1 . 2 ]" 1
296 1 27 CYS H 1 35 PHE H 3.400 . 5.000 3.488 3.018 3.775 . 0 0 "[ . 1 . 2 ]" 1
297 1 28 CYS HA 1 35 PHE H 2.550 . 3.300 2.805 2.311 3.340 0.040 19 0 "[ . 1 . 2 ]" 1
298 1 34 CYS HB2 1 35 PHE H 3.400 . 5.000 4.436 4.248 4.616 . 0 0 "[ . 1 . 2 ]" 1
299 1 35 PHE HB3 1 35 PHE QD 2.250 . 3.200 2.270 2.242 2.310 . 0 0 "[ . 1 . 2 ]" 1
300 1 35 PHE H 1 35 PHE HA 2.550 . 3.300 2.948 2.931 2.969 . 0 0 "[ . 1 . 2 ]" 1
301 1 35 PHE H 1 35 PHE HB3 3.400 . 5.000 3.806 3.696 3.917 . 0 0 "[ . 1 . 2 ]" 1
302 1 35 PHE H 1 35 PHE HB2 2.550 . 3.300 2.912 2.689 3.216 . 0 0 "[ . 1 . 2 ]" 1
303 1 35 PHE H 1 35 PHE QD 3.400 . 5.000 2.029 1.790 2.473 0.010 7 0 "[ . 1 . 2 ]" 1
304 1 35 PHE H 1 35 PHE HD1 2.550 . 3.300 2.031 1.791 2.478 0.009 7 0 "[ . 1 . 2 ]" 1
305 1 35 PHE HB3 1 41 ALA MB 2.250 . 3.200 2.674 2.559 2.870 . 0 0 "[ . 1 . 2 ]" 1
306 1 26 ILE HB 1 36 VAL MG1 2.250 . 3.200 2.674 2.531 2.743 . 0 0 "[ . 1 . 2 ]" 1
307 1 26 ILE H 1 36 VAL MG1 3.400 . 5.500 4.149 4.044 4.321 . 0 0 "[ . 1 . 2 ]" 1
308 1 26 ILE HB 1 36 VAL MG2 3.400 . 5.500 3.861 3.660 4.132 . 0 0 "[ . 1 . 2 ]" 1
309 1 35 PHE HA 1 36 VAL H 2.250 . 2.700 2.271 2.181 2.428 . 0 0 "[ . 1 . 2 ]" 1
310 1 36 VAL HA 1 36 VAL HB 2.550 . 3.300 3.001 2.987 3.010 . 0 0 "[ . 1 . 2 ]" 1
311 1 36 VAL HA 1 36 VAL MG1 2.250 . 3.200 2.253 2.103 2.302 . 0 0 "[ . 1 . 2 ]" 1
312 1 36 VAL HB 1 36 VAL MG2 2.250 . 3.200 2.115 2.092 2.130 . 0 0 "[ . 1 . 2 ]" 1
313 1 36 VAL H 1 36 VAL MG2 2.250 . 3.200 2.562 2.134 2.686 . 0 0 "[ . 1 . 2 ]" 1
314 1 36 VAL H 1 36 VAL HA 2.550 . 3.300 2.921 2.897 2.950 . 0 0 "[ . 1 . 2 ]" 1
315 1 36 VAL H 1 36 VAL HB 2.550 . 3.300 2.990 2.797 3.121 . 0 0 "[ . 1 . 2 ]" 1
316 1 36 VAL H 1 36 VAL MG1 3.400 . 5.500 3.965 3.874 4.015 . 0 0 "[ . 1 . 2 ]" 1
317 1 36 VAL MG1 1 37 GLY HA3 3.400 . 5.500 3.597 3.405 3.890 . 0 0 "[ . 1 . 2 ]" 1
318 1 36 VAL H 1 38 THR MG 3.400 . 5.500 3.971 1.776 4.611 0.024 2 0 "[ . 1 . 2 ]" 1
319 1 36 VAL HA 1 41 ALA MB 2.550 . 3.800 3.182 3.126 3.226 . 0 0 "[ . 1 . 2 ]" 1
320 1 26 ILE QG 1 37 GLY H 2.550 . 3.800 3.515 3.442 3.787 . 0 0 "[ . 1 . 2 ]" 1
321 1 36 VAL HA 1 37 GLY H 2.250 . 2.700 2.092 2.045 2.161 . 0 0 "[ . 1 . 2 ]" 1
322 1 36 VAL MG1 1 37 GLY H 2.550 . 3.800 2.813 2.235 3.181 . 0 0 "[ . 1 . 2 ]" 1
323 1 37 GLY H 1 37 GLY HA3 2.550 . 3.300 2.839 2.769 2.911 . 0 0 "[ . 1 . 2 ]" 1
324 1 37 GLY H 1 37 GLY HA2 2.550 . 3.300 2.311 2.297 2.342 . 0 0 "[ . 1 . 2 ]" 1
325 1 35 PHE QD 1 38 THR MG 2.250 . 3.200 2.397 2.330 2.677 . 0 0 "[ . 1 . 2 ]" 1
326 1 38 THR H 1 38 THR MG 3.400 . 5.500 3.464 1.866 3.948 . 0 0 "[ . 1 . 2 ]" 1
327 1 14 GLY HA3 1 40 GLU HA 3.400 . 5.000 4.931 4.323 5.046 0.046 6 0 "[ . 1 . 2 ]" 1
328 1 14 GLY HA2 1 40 GLU HA 3.400 . 5.000 3.265 2.686 3.541 . 0 0 "[ . 1 . 2 ]" 1
329 1 39 ALA H 1 40 GLU H 3.400 . 5.000 2.809 2.518 3.111 . 0 0 "[ . 1 . 2 ]" 1
330 1 38 THR HB 1 40 GLU H 2.550 . 3.300 3.255 2.832 3.348 0.048 19 0 "[ . 1 . 2 ]" 1
331 1 39 ALA HA 1 40 GLU H 3.400 . 5.000 3.543 3.486 3.586 . 0 0 "[ . 1 . 2 ]" 1
332 1 39 ALA MB 1 40 GLU H 2.250 . 3.200 2.420 2.113 2.667 . 0 0 "[ . 1 . 2 ]" 1
333 1 40 GLU HA 1 40 GLU HB3 2.250 . 2.700 2.761 2.742 2.782 0.082 5 0 "[ . 1 . 2 ]" 1
334 1 40 GLU HA 1 40 GLU HG3 2.250 . 2.700 2.184 2.050 2.424 . 0 0 "[ . 1 . 2 ]" 1
335 1 40 GLU HB3 1 40 GLU HG3 2.250 . 2.700 2.597 2.433 2.714 0.014 14 0 "[ . 1 . 2 ]" 1
336 1 40 GLU H 1 40 GLU HA 2.550 . 3.300 2.838 2.802 2.881 . 0 0 "[ . 1 . 2 ]" 1
337 1 40 GLU H 1 40 GLU HB3 2.550 . 3.300 3.346 3.324 3.364 0.064 7 0 "[ . 1 . 2 ]" 1
338 1 40 GLU H 1 42 LEU H 3.400 . 5.000 4.473 4.339 4.576 . 0 0 "[ . 1 . 2 ]" 1
339 1 27 CYS HB3 1 41 ALA HA 3.400 . 5.000 2.619 2.057 3.517 . 0 0 "[ . 1 . 2 ]" 1
340 1 40 GLU HA 1 41 ALA H 3.400 . 5.000 3.194 3.107 3.354 . 0 0 "[ . 1 . 2 ]" 1
341 1 40 GLU H 1 41 ALA H 2.550 . 3.300 2.812 2.583 2.941 . 0 0 "[ . 1 . 2 ]" 1
342 1 41 ALA H 1 41 ALA HA 2.550 . 3.300 2.931 2.892 2.960 . 0 0 "[ . 1 . 2 ]" 1
343 1 41 ALA H 1 41 ALA MB 2.250 . 3.200 2.447 2.245 2.538 . 0 0 "[ . 1 . 2 ]" 1
344 1 41 ALA MB 1 42 LEU MD1 3.400 . 5.500 3.969 3.914 4.248 . 0 0 "[ . 1 . 2 ]" 1
345 1 41 ALA H 1 42 LEU HB3 3.400 . 5.000 4.265 4.047 4.718 . 0 0 "[ . 1 . 2 ]" 1
346 1 41 ALA H 1 42 LEU MD1 3.400 . 5.500 2.936 2.783 3.297 . 0 0 "[ . 1 . 2 ]" 1
347 1 41 ALA H 1 42 LEU H 2.250 . 2.700 2.012 1.850 2.393 . 0 0 "[ . 1 . 2 ]" 1
348 1 39 ALA HA 1 42 LEU HG 2.250 . 2.700 2.708 2.559 2.773 0.073 1 0 "[ . 1 . 2 ]" 1
349 1 41 ALA MB 1 42 LEU H 2.550 . 3.800 3.207 3.104 3.355 . 0 0 "[ . 1 . 2 ]" 1
350 1 42 LEU HA 1 42 LEU HB3 2.250 . 2.700 2.343 2.323 2.376 . 0 0 "[ . 1 . 2 ]" 1
351 1 42 LEU HA 1 42 LEU MD1 2.550 . 3.800 3.217 3.198 3.279 . 0 0 "[ . 1 . 2 ]" 1
352 1 42 LEU HA 1 42 LEU HG 3.400 . 5.000 3.989 3.927 4.058 . 0 0 "[ . 1 . 2 ]" 1
353 1 42 LEU H 1 42 LEU HA 2.250 . 2.700 2.796 2.779 2.819 0.119 20 0 "[ . 1 . 2 ]" 1
354 1 42 LEU H 1 42 LEU HB3 2.250 . 2.700 2.722 2.675 2.759 0.059 8 0 "[ . 1 . 2 ]" 1
355 1 42 LEU H 1 42 LEU MD1 2.550 . 3.800 1.496 1.441 1.757 0.359 5 0 "[ . 1 . 2 ]" 1
356 1 42 LEU H 1 42 LEU HG 2.250 . 2.700 2.542 2.355 2.703 0.003 20 0 "[ . 1 . 2 ]" 1
357 1 42 LEU HG 1 43 ARG HD3 3.400 . 5.000 5.002 4.829 5.044 0.044 19 0 "[ . 1 . 2 ]" 1
358 1 43 ARG HA 1 43 ARG HB3 2.250 . 2.700 2.830 2.796 2.864 0.164 21 0 "[ . 1 . 2 ]" 1
359 1 43 ARG HA 1 43 ARG HD3 2.250 . 2.700 2.474 1.948 2.719 0.019 14 0 "[ . 1 . 2 ]" 1
360 1 43 ARG HA 1 43 ARG HG3 2.250 . 2.700 2.553 2.473 2.706 0.006 18 0 "[ . 1 . 2 ]" 1
361 1 42 LEU HA 1 44 CYS H 2.550 . 3.300 3.337 3.299 3.441 0.141 1 0 "[ . 1 . 2 ]" 1
362 1 42 LEU MD1 1 44 CYS H 3.400 . 5.500 3.939 3.877 4.016 . 0 0 "[ . 1 . 2 ]" 1
363 1 42 LEU H 1 44 CYS H 3.400 . 5.000 4.598 4.511 4.683 . 0 0 "[ . 1 . 2 ]" 1
364 1 43 ARG HB3 1 44 CYS H 2.550 . 3.300 3.399 3.366 3.473 0.173 20 0 "[ . 1 . 2 ]" 1
365 1 44 CYS HA 1 44 CYS HB3 2.550 . 3.300 2.757 2.579 2.944 . 0 0 "[ . 1 . 2 ]" 1
366 1 44 CYS HA 1 44 CYS HB2 2.250 . 2.700 2.856 2.726 2.977 0.277 1 0 "[ . 1 . 2 ]" 1
367 1 44 CYS H 1 44 CYS HA 2.550 . 3.300 2.817 2.781 2.852 . 0 0 "[ . 1 . 2 ]" 1
368 1 44 CYS H 1 44 CYS HB3 3.400 . 5.000 3.351 3.046 3.548 . 0 0 "[ . 1 . 2 ]" 1
369 1 44 CYS H 1 44 CYS HB2 2.550 . 3.300 2.149 2.086 2.277 . 0 0 "[ . 1 . 2 ]" 1
370 1 44 CYS HA 1 45 GLN H 2.550 . 3.300 3.335 3.264 3.382 0.082 19 0 "[ . 1 . 2 ]" 1
371 1 44 CYS H 1 45 GLN HA 3.400 . 5.000 5.068 5.026 5.196 0.196 1 0 "[ . 1 . 2 ]" 1
372 1 44 CYS HA 1 46 GLU QB 3.400 . 5.000 4.341 3.337 5.511 0.511 1 1 "[+ . 1 . 2 ]" 1
373 1 44 CYS H 1 47 GLU H 3.400 . 5.000 5.061 4.954 5.196 0.196 1 0 "[ . 1 . 2 ]" 1
374 1 42 LEU MD1 1 45 GLN QE 3.400 . 5.500 3.873 3.138 4.089 . 0 0 "[ . 1 . 2 ]" 1
375 1 45 GLN HB3 1 45 GLN QE 3.400 . 5.500 3.351 2.956 4.096 . 0 0 "[ . 1 . 2 ]" 1
376 1 45 GLN H 1 45 GLN HA 2.250 . 2.700 2.802 2.776 2.823 0.123 13 0 "[ . 1 . 2 ]" 1
377 1 45 GLN H 1 45 GLN HB3 2.550 . 3.300 3.344 3.115 3.390 0.090 10 0 "[ . 1 . 2 ]" 1
378 1 45 GLN H 1 45 GLN HB2 2.550 . 3.300 2.118 2.024 3.404 0.104 17 0 "[ . 1 . 2 ]" 1
379 1 45 GLN H 1 45 GLN HG3 3.400 . 5.000 3.474 2.303 4.131 . 0 0 "[ . 1 . 2 ]" 1
380 1 45 GLN HB2 1 46 GLU H 2.550 . 3.300 3.205 2.877 3.389 0.089 17 0 "[ . 1 . 2 ]" 1
381 1 45 GLN H 1 46 GLU H 3.400 . 5.000 2.361 2.248 2.495 . 0 0 "[ . 1 . 2 ]" 1
382 1 46 GLU H 1 46 GLU HA 2.550 . 3.300 2.878 2.816 2.911 . 0 0 "[ . 1 . 2 ]" 1
383 1 46 GLU H 1 46 GLU QB 2.550 . 3.300 2.367 2.058 2.808 . 0 0 "[ . 1 . 2 ]" 1
384 1 46 GLU H 1 46 GLU HG3 2.250 . 2.700 2.575 1.958 2.839 0.139 13 0 "[ . 1 . 2 ]" 1
385 1 45 GLN HB2 1 47 GLU H 3.400 . 5.000 5.063 4.991 5.134 0.134 9 0 "[ . 1 . 2 ]" 1
386 1 46 GLU QB 1 47 GLU H 3.400 . 5.000 3.344 2.537 3.684 . 0 0 "[ . 1 . 2 ]" 1
387 1 46 GLU H 1 47 GLU H 3.400 . 5.000 2.312 2.161 2.569 . 0 0 "[ . 1 . 2 ]" 1
388 1 47 GLU H 1 47 GLU HA 2.550 . 3.300 2.881 2.824 2.908 . 0 0 "[ . 1 . 2 ]" 1
389 1 45 GLN HG3 1 48 ASN QD 3.400 . 5.500 4.247 3.208 4.928 . 0 0 "[ . 1 . 2 ]" 1
390 1 47 GLU HB3 1 48 ASN H 3.400 . 5.000 3.841 3.464 4.395 . 0 0 "[ . 1 . 2 ]" 1
391 1 48 ASN H 1 48 ASN HA 2.250 . 2.700 2.851 2.748 2.901 0.201 9 0 "[ . 1 . 2 ]" 1
392 1 48 ASN H 1 48 ASN HB3 2.550 . 3.300 2.988 2.543 3.331 0.031 16 0 "[ . 1 . 2 ]" 1
393 1 49 TYR HA 1 49 TYR HB3 2.250 . 2.700 2.582 2.410 2.735 0.035 9 0 "[ . 1 . 2 ]" 1
394 1 51 PRO HA 1 51 PRO HB3 2.250 . 2.700 2.325 2.285 2.341 . 0 0 "[ . 1 . 2 ]" 1
395 1 51 PRO HA 1 51 PRO HB2 2.550 . 3.300 2.998 2.942 3.008 . 0 0 "[ . 1 . 2 ]" 1
396 1 51 PRO HA 1 51 PRO HG2 3.400 . 5.000 3.823 3.787 4.001 . 0 0 "[ . 1 . 2 ]" 1
397 1 51 PRO HA 1 52 SER H 2.250 . 2.700 2.335 2.136 2.700 . 0 0 "[ . 1 . 2 ]" 1
398 1 52 SER H 1 52 SER HA 2.550 . 3.300 2.810 2.270 2.950 . 0 0 "[ . 1 . 2 ]" 1
399 1 52 SER H 1 52 SER HB3 3.400 . 5.000 3.517 2.593 3.907 . 0 0 "[ . 1 . 2 ]" 1
400 1 52 SER H 1 52 SER HB2 3.400 . 5.000 3.121 2.075 4.081 . 0 0 "[ . 1 . 2 ]" 1
401 1 57 GLY HA2 1 58 GLN HG2 3.400 . 5.000 5.045 4.901 5.184 0.184 1 0 "[ . 1 . 2 ]" 1
402 1 58 GLN HA 1 58 GLN HB3 2.250 . 2.700 2.706 2.379 2.817 0.117 1 0 "[ . 1 . 2 ]" 1
403 1 58 GLN HA 1 58 GLN HG3 2.550 . 3.300 3.394 3.262 3.555 0.255 1 0 "[ . 1 . 2 ]" 1
404 1 58 GLN HA 1 58 GLN HG2 2.250 . 2.700 2.175 2.009 2.655 . 0 0 "[ . 1 . 2 ]" 1
405 1 58 GLN HB3 1 58 GLN HG2 2.550 . 3.300 2.888 2.443 3.010 . 0 0 "[ . 1 . 2 ]" 1
406 1 58 GLN HB2 1 58 GLN HG2 2.550 . 3.300 2.702 2.388 3.010 . 0 0 "[ . 1 . 2 ]" 1
407 1 58 GLN H 1 58 GLN HB3 2.550 . 3.300 3.392 3.264 3.502 0.202 5 0 "[ . 1 . 2 ]" 1
408 1 58 GLN H 1 58 GLN HG3 3.400 . 5.000 4.031 1.834 4.788 . 0 0 "[ . 1 . 2 ]" 1
409 1 58 GLN HA 1 59 LYS H 2.250 . 2.700 2.277 2.072 2.606 . 0 0 "[ . 1 . 2 ]" 1
410 1 58 GLN HB3 1 59 LYS HA 3.400 . 5.000 4.831 4.101 5.554 0.554 1 1 "[+ . 1 . 2 ]" 1
411 1 58 GLN HB3 1 59 LYS H 3.400 . 5.000 3.111 2.203 4.139 . 0 0 "[ . 1 . 2 ]" 1
412 1 58 GLN HG2 1 59 LYS H 3.400 . 5.000 3.931 3.338 4.851 . 0 0 "[ . 1 . 2 ]" 1
413 1 59 LYS HA 1 59 LYS HB3 2.550 . 3.300 2.715 2.328 3.008 . 0 0 "[ . 1 . 2 ]" 1
414 1 59 LYS HA 1 59 LYS HG3 3.400 . 5.000 3.519 2.295 4.179 . 0 0 "[ . 1 . 2 ]" 1
415 1 59 LYS HB3 1 59 LYS HD3 2.550 . 3.300 3.050 2.334 3.493 0.193 1 0 "[ . 1 . 2 ]" 1
416 1 59 LYS HB3 1 59 LYS HD2 2.250 . 2.700 2.206 1.955 2.691 . 0 0 "[ . 1 . 2 ]" 1
417 1 59 LYS H 1 59 LYS HA 2.250 . 2.700 2.571 2.295 2.903 0.203 8 0 "[ . 1 . 2 ]" 1
418 1 59 LYS H 1 59 LYS HB3 2.250 . 2.700 2.662 2.367 2.820 0.120 9 0 "[ . 1 . 2 ]" 1
419 1 59 LYS H 1 59 LYS HG3 3.400 . 5.000 4.355 3.437 4.988 . 0 0 "[ . 1 . 2 ]" 1
420 1 59 LYS H 1 67 CYS H 3.400 . 5.000 4.817 3.451 5.190 0.190 21 0 "[ . 1 . 2 ]" 1
421 1 58 GLN HB3 1 60 PRO HD3 3.400 . 5.000 4.685 1.969 5.862 0.862 1 1 "[+ . 1 . 2 ]" 1
422 1 59 LYS HA 1 60 PRO HD3 2.550 . 3.300 2.465 1.981 3.389 0.089 9 0 "[ . 1 . 2 ]" 1
423 1 59 LYS HB3 1 60 PRO HD3 3.400 . 5.000 4.723 4.458 4.977 . 0 0 "[ . 1 . 2 ]" 1
424 1 59 LYS HA 1 60 PRO HD2 2.550 . 3.300 2.241 2.053 2.968 . 0 0 "[ . 1 . 2 ]" 1
425 1 59 LYS HB3 1 60 PRO HD2 3.400 . 5.000 4.629 4.011 5.050 0.050 9 0 "[ . 1 . 2 ]" 1
426 1 60 PRO HA 1 60 PRO HB3 2.250 . 2.700 2.286 2.247 2.321 . 0 0 "[ . 1 . 2 ]" 1
427 1 60 PRO HA 1 60 PRO HB2 2.550 . 3.300 2.961 2.924 2.996 . 0 0 "[ . 1 . 2 ]" 1
428 1 60 PRO HA 1 60 PRO HD3 2.550 . 3.300 3.442 3.353 3.565 0.265 1 0 "[ . 1 . 2 ]" 1
429 1 60 PRO HB3 1 60 PRO HD3 3.400 . 5.000 3.938 3.845 4.036 . 0 0 "[ . 1 . 2 ]" 1
430 1 60 PRO HB2 1 60 PRO HD3 3.400 . 5.000 3.897 3.855 3.940 . 0 0 "[ . 1 . 2 ]" 1
431 1 60 PRO HD3 1 60 PRO HG3 2.250 . 2.700 2.259 2.227 2.305 . 0 0 "[ . 1 . 2 ]" 1
432 1 60 PRO HA 1 60 PRO HD2 3.400 . 5.000 3.907 3.877 3.940 . 0 0 "[ . 1 . 2 ]" 1
433 1 60 PRO HB3 1 60 PRO HD2 3.400 . 5.000 3.985 3.919 4.022 . 0 0 "[ . 1 . 2 ]" 1
434 1 60 PRO HB2 1 60 PRO HD2 2.550 . 3.300 3.159 2.980 3.303 0.003 8 0 "[ . 1 . 2 ]" 1
435 1 60 PRO HD2 1 60 PRO HG3 2.550 . 3.300 2.945 2.924 2.981 . 0 0 "[ . 1 . 2 ]" 1
436 1 60 PRO HA 1 66 ARG HA 2.250 . 2.700 1.696 1.530 2.071 0.270 21 0 "[ . 1 . 2 ]" 1
437 1 60 PRO HA 1 66 ARG HB3 3.400 . 5.000 2.627 1.886 3.161 . 0 0 "[ . 1 . 2 ]" 1
438 1 60 PRO HA 1 66 ARG HD3 2.550 . 3.300 2.461 2.112 2.729 . 0 0 "[ . 1 . 2 ]" 1
439 1 60 PRO HB3 1 61 CYS HA 3.400 . 5.000 4.715 4.529 4.911 . 0 0 "[ . 1 . 2 ]" 1
440 1 60 PRO HA 1 61 CYS H 2.550 . 3.300 2.298 2.011 2.534 . 0 0 "[ . 1 . 2 ]" 1
441 1 60 PRO HB3 1 61 CYS H 2.550 . 3.300 2.804 2.526 3.397 0.097 9 0 "[ . 1 . 2 ]" 1
442 1 61 CYS H 1 62 GLY HA2 3.400 . 5.000 4.920 4.774 5.122 0.122 20 0 "[ . 1 . 2 ]" 1
443 1 60 PRO HG3 1 61 CYS H 3.400 . 5.000 4.691 4.442 5.008 0.008 13 0 "[ . 1 . 2 ]" 1
444 1 61 CYS HA 1 61 CYS HB2 2.250 . 2.700 2.611 2.525 2.701 0.001 13 0 "[ . 1 . 2 ]" 1
445 1 61 CYS H 1 61 CYS HA 2.250 . 2.700 2.855 2.819 2.952 0.252 1 0 "[ . 1 . 2 ]" 1
446 1 61 CYS H 1 61 CYS HB3 3.400 . 5.000 3.668 3.603 3.759 . 0 0 "[ . 1 . 2 ]" 1
447 1 61 CYS H 1 61 CYS HB2 3.400 . 5.000 3.829 3.617 4.032 . 0 0 "[ . 1 . 2 ]" 1
448 1 61 CYS H 1 62 GLY H 3.400 . 5.000 4.355 4.210 4.592 . 0 0 "[ . 1 . 2 ]" 1
449 1 61 CYS H 1 65 GLY HA2 3.400 . 5.000 4.166 3.882 4.689 . 0 0 "[ . 1 . 2 ]" 1
450 1 61 CYS H 1 66 ARG HA 2.550 . 3.300 2.482 1.813 2.997 . 0 0 "[ . 1 . 2 ]" 1
451 1 61 CYS H 1 66 ARG HB3 3.400 . 5.000 4.549 3.718 5.140 0.140 20 0 "[ . 1 . 2 ]" 1
452 1 61 CYS H 1 66 ARG H 3.400 . 5.000 4.351 4.015 4.669 . 0 0 "[ . 1 . 2 ]" 1
453 1 61 CYS HB3 1 84 ALA MB 3.400 . 5.500 3.571 2.808 4.073 . 0 0 "[ . 1 . 2 ]" 1
454 1 61 CYS HB2 1 84 ALA MB 3.400 . 5.500 3.264 2.650 3.603 . 0 0 "[ . 1 . 2 ]" 1
455 1 61 CYS HA 1 62 GLY H 2.250 . 2.700 2.281 2.092 2.534 . 0 0 "[ . 1 . 2 ]" 1
456 1 61 CYS HB3 1 62 GLY H 2.550 . 3.300 3.426 3.349 3.500 0.200 1 0 "[ . 1 . 2 ]" 1
457 1 61 CYS HB2 1 62 GLY H 2.250 . 2.700 2.511 2.157 2.815 0.115 13 0 "[ . 1 . 2 ]" 1
458 1 62 GLY H 1 62 GLY HA3 2.250 . 2.700 2.275 2.233 2.337 . 0 0 "[ . 1 . 2 ]" 1
459 1 62 GLY H 1 62 GLY HA2 2.250 . 2.700 2.783 2.629 2.870 0.170 14 0 "[ . 1 . 2 ]" 1
460 1 62 GLY HA2 1 63 SER H 2.550 . 3.300 3.122 2.903 3.407 0.107 13 0 "[ . 1 . 2 ]" 1
461 1 62 GLY H 1 63 SER H 2.550 . 3.300 3.047 2.843 3.317 0.017 8 0 "[ . 1 . 2 ]" 1
462 1 62 GLY H 1 84 ALA MB 3.400 . 5.500 4.537 4.029 4.743 . 0 0 "[ . 1 . 2 ]" 1
463 1 62 GLY HA2 1 63 SER HA 3.400 . 5.000 4.460 4.352 4.584 . 0 0 "[ . 1 . 2 ]" 1
464 1 63 SER HA 1 63 SER HB3 2.550 . 3.300 2.988 2.961 3.011 . 0 0 "[ . 1 . 2 ]" 1
465 1 63 SER H 1 63 SER HA 2.250 . 2.700 2.875 2.846 2.897 0.197 1 0 "[ . 1 . 2 ]" 1
466 1 63 SER H 1 63 SER HB3 2.250 . 2.700 2.702 2.425 2.779 0.079 14 0 "[ . 1 . 2 ]" 1
467 1 63 SER H 1 63 SER HB2 2.250 . 2.700 2.708 2.465 3.013 0.313 1 0 "[ . 1 . 2 ]" 1
468 1 63 SER H 1 65 GLY H 3.400 . 5.000 3.220 2.616 4.181 . 0 0 "[ . 1 . 2 ]" 1
469 1 63 SER HA 1 64 GLY H 2.250 . 2.700 2.779 2.722 3.058 0.358 1 0 "[ . 1 . 2 ]" 1
470 1 64 GLY H 1 64 GLY HA3 2.250 . 2.700 2.825 2.685 2.921 0.221 1 0 "[ . 1 . 2 ]" 1
471 1 64 GLY H 1 64 GLY HA2 2.250 . 2.700 2.322 2.266 2.395 . 0 0 "[ . 1 . 2 ]" 1
472 1 64 GLY HA2 1 65 GLY H 2.550 . 3.300 3.014 2.466 3.292 . 0 0 "[ . 1 . 2 ]" 1
473 1 64 GLY H 1 65 GLY H 2.550 . 3.300 2.641 2.280 3.257 . 0 0 "[ . 1 . 2 ]" 1
474 1 64 GLY HA3 1 65 GLY H 2.550 . 3.300 3.397 3.274 3.568 0.268 21 0 "[ . 1 . 2 ]" 1
475 1 65 GLY H 1 65 GLY HA3 2.250 . 2.700 2.847 2.809 2.867 0.167 8 0 "[ . 1 . 2 ]" 1
476 1 65 GLY H 1 65 GLY HA2 2.250 . 2.700 2.693 2.637 2.808 0.108 1 0 "[ . 1 . 2 ]" 1
477 1 65 GLY HA2 1 66 ARG H 2.250 . 2.700 2.847 2.729 2.914 0.214 14 0 "[ . 1 . 2 ]" 1
478 1 65 GLY H 1 66 ARG H 3.400 . 5.000 4.296 4.187 4.341 . 0 0 "[ . 1 . 2 ]" 1
479 1 65 GLY HA3 1 66 ARG H 2.250 . 2.700 2.227 2.146 2.401 . 0 0 "[ . 1 . 2 ]" 1
480 1 66 ARG HA 1 66 ARG HB3 2.250 . 2.700 2.310 2.207 2.380 . 0 0 "[ . 1 . 2 ]" 1
481 1 66 ARG HA 1 66 ARG HB2 2.550 . 3.300 2.970 2.915 3.003 . 0 0 "[ . 1 . 2 ]" 1
482 1 66 ARG HA 1 66 ARG HD3 2.250 . 2.700 2.704 2.563 2.793 0.093 9 0 "[ . 1 . 2 ]" 1
483 1 66 ARG HA 1 66 ARG HD2 2.250 . 2.700 2.720 2.652 2.873 0.173 1 0 "[ . 1 . 2 ]" 1
484 1 66 ARG HB2 1 66 ARG HD3 3.400 . 5.000 3.829 3.741 3.949 . 0 0 "[ . 1 . 2 ]" 1
485 1 66 ARG HB3 1 66 ARG HD2 2.250 . 2.700 2.367 2.204 2.581 . 0 0 "[ . 1 . 2 ]" 1
486 1 66 ARG H 1 66 ARG HA 2.250 . 2.700 2.861 2.811 2.919 0.219 1 0 "[ . 1 . 2 ]" 1
487 1 66 ARG H 1 66 ARG HB3 3.400 . 5.000 3.674 3.579 3.873 . 0 0 "[ . 1 . 2 ]" 1
488 1 66 ARG HA 1 67 CYS H 2.250 . 2.700 2.564 2.309 2.703 0.003 7 0 "[ . 1 . 2 ]" 1
489 1 66 ARG H 1 67 CYS H 3.400 . 5.000 4.513 4.443 4.657 . 0 0 "[ . 1 . 2 ]" 1
490 1 60 PRO HA 1 67 CYS H 2.550 . 3.300 3.386 3.103 3.841 0.541 1 1 "[+ . 1 . 2 ]" 1
491 1 66 ARG HB2 1 67 CYS HB3 3.400 . 5.000 4.952 4.679 5.242 0.242 1 0 "[ . 1 . 2 ]" 1
492 1 66 ARG HB3 1 67 CYS HB2 3.400 . 5.000 4.812 4.595 5.109 0.109 20 0 "[ . 1 . 2 ]" 1
493 1 66 ARG HB3 1 67 CYS H 2.250 . 2.700 2.355 2.021 2.950 0.250 8 0 "[ . 1 . 2 ]" 1
494 1 67 CYS HA 1 67 CYS HB3 2.550 . 3.300 2.995 2.907 3.035 . 0 0 "[ . 1 . 2 ]" 1
495 1 67 CYS HA 1 67 CYS HB2 2.250 . 2.700 2.497 2.430 2.731 0.031 21 0 "[ . 1 . 2 ]" 1
496 1 67 CYS H 1 67 CYS HB2 2.250 . 2.700 2.534 2.105 2.706 0.006 14 0 "[ . 1 . 2 ]" 1
497 1 67 CYS H 1 67 CYS HA 2.250 . 2.700 2.836 2.597 2.870 0.170 14 0 "[ . 1 . 2 ]" 1
498 1 67 CYS H 1 67 CYS HB3 2.550 . 3.300 2.546 2.376 2.921 . 0 0 "[ . 1 . 2 ]" 1
499 1 67 CYS HA 1 68 ALA H 2.250 . 2.700 2.570 2.399 2.685 . 0 0 "[ . 1 . 2 ]" 1
500 1 67 CYS HB3 1 85 CYS HB2 3.400 . 5.000 5.126 4.749 5.603 0.603 1 1 "[+ . 1 . 2 ]" 1
501 1 67 CYS HB2 1 85 CYS HB3 3.400 . 5.000 4.618 4.414 5.051 0.051 12 0 "[ . 1 . 2 ]" 1
502 1 67 CYS H 1 68 ALA H 3.400 . 5.000 3.480 3.125 4.587 . 0 0 "[ . 1 . 2 ]" 1
503 1 68 ALA H 1 68 ALA HA 2.550 . 3.300 2.608 2.515 2.844 . 0 0 "[ . 1 . 2 ]" 1
504 1 68 ALA H 1 68 ALA MB 2.250 . 3.200 2.254 2.077 2.673 . 0 0 "[ . 1 . 2 ]" 1
505 1 68 ALA H 1 73 CYS HB2 3.400 . 5.000 5.058 4.765 5.229 0.229 1 0 "[ . 1 . 2 ]" 1
506 1 67 CYS HA 1 69 ALA H 3.400 . 5.000 4.653 3.517 5.288 0.288 9 0 "[ . 1 . 2 ]" 1
507 1 68 ALA MB 1 69 ALA H 2.250 . 3.200 2.192 1.812 2.746 . 0 0 "[ . 1 . 2 ]" 1
508 1 68 ALA H 1 69 ALA H 3.400 . 5.000 3.676 2.971 3.992 . 0 0 "[ . 1 . 2 ]" 1
509 1 69 ALA H 1 69 ALA HA 2.550 . 3.300 2.832 2.729 2.901 . 0 0 "[ . 1 . 2 ]" 1
510 1 69 ALA H 1 69 ALA MB 2.550 . 3.800 2.466 1.908 2.735 . 0 0 "[ . 1 . 2 ]" 1
511 1 69 ALA HA 1 70 ALA H 2.550 . 3.300 2.379 2.122 2.856 . 0 0 "[ . 1 . 2 ]" 1
512 1 69 ALA H 1 72 ILE HB 2.550 . 3.300 1.737 1.607 2.376 0.193 2 0 "[ . 1 . 2 ]" 1
513 1 69 ALA MB 1 72 ILE MD 3.400 . 5.500 3.578 2.036 4.168 . 0 0 "[ . 1 . 2 ]" 1
514 1 69 ALA MB 1 72 ILE QG 3.400 . 5.500 2.670 1.725 4.084 0.075 5 0 "[ . 1 . 2 ]" 1
515 1 69 ALA MB 1 70 ALA MB 3.400 . 5.500 3.168 2.940 3.327 . 0 0 "[ . 1 . 2 ]" 1
516 1 69 ALA MB 1 70 ALA H 2.250 . 3.200 2.405 1.618 2.794 0.182 5 0 "[ . 1 . 2 ]" 1
517 1 70 ALA H 1 70 ALA HA 2.250 . 2.700 2.525 2.300 2.902 0.202 20 0 "[ . 1 . 2 ]" 1
518 1 70 ALA H 1 70 ALA MB 2.250 . 3.200 2.530 2.084 2.829 . 0 0 "[ . 1 . 2 ]" 1
519 1 70 ALA HA 1 71 GLY H 2.550 . 3.300 2.650 2.253 3.465 0.165 13 0 "[ . 1 . 2 ]" 1
520 1 70 ALA H 1 71 GLY H 3.400 . 5.000 3.337 2.588 4.279 . 0 0 "[ . 1 . 2 ]" 1
521 1 70 ALA MB 1 87 PRO HB2 3.400 . 5.500 4.686 4.474 5.176 . 0 0 "[ . 1 . 2 ]" 1
522 1 70 ALA MB 1 87 PRO QD 3.400 . 5.500 4.507 4.320 4.656 . 0 0 "[ . 1 . 2 ]" 1
523 1 70 ALA MB 1 71 GLY H 3.400 . 5.500 3.456 2.402 3.666 . 0 0 "[ . 1 . 2 ]" 1
524 1 71 GLY H 1 71 GLY HA3 2.250 . 2.700 2.805 2.732 2.862 0.162 1 0 "[ . 1 . 2 ]" 1
525 1 71 GLY H 1 71 GLY HA2 2.250 . 2.700 2.336 2.242 2.768 0.068 13 0 "[ . 1 . 2 ]" 1
526 1 71 GLY HA3 1 85 CYS HA 3.400 . 5.000 4.828 4.121 5.096 0.096 12 0 "[ . 1 . 2 ]" 1
527 1 71 GLY HA3 1 85 CYS HB3 2.550 . 3.300 2.797 2.426 3.163 . 0 0 "[ . 1 . 2 ]" 1
528 1 71 GLY HA2 1 85 CYS HA 3.400 . 5.000 3.999 3.452 4.383 . 0 0 "[ . 1 . 2 ]" 1
529 1 71 GLY HA2 1 85 CYS HB2 3.400 . 5.000 2.538 2.278 3.004 . 0 0 "[ . 1 . 2 ]" 1
530 1 71 GLY H 1 85 CYS HB2 3.400 . 5.000 4.514 4.123 5.087 0.087 8 0 "[ . 1 . 2 ]" 1
531 1 71 GLY HA3 1 72 ILE H 3.400 . 5.000 3.424 3.356 3.519 . 0 0 "[ . 1 . 2 ]" 1
532 1 71 GLY HA2 1 72 ILE H 3.400 . 5.000 2.396 2.125 2.936 . 0 0 "[ . 1 . 2 ]" 1
533 1 71 GLY H 1 72 ILE H 2.550 2.100 3.000 2.856 2.371 3.111 0.111 20 0 "[ . 1 . 2 ]" 1
534 1 72 ILE HA 1 72 ILE QG 2.550 . 3.800 2.279 1.996 2.547 . 0 0 "[ . 1 . 2 ]" 1
535 1 72 ILE HA 1 72 ILE MG 2.250 . 3.200 2.621 2.425 2.754 . 0 0 "[ . 1 . 2 ]" 1
536 1 72 ILE HB 1 72 ILE MD 2.550 . 3.800 3.023 2.612 3.165 . 0 0 "[ . 1 . 2 ]" 1
537 1 72 ILE HB 1 72 ILE QG 2.250 . 3.200 2.153 2.104 2.261 . 0 0 "[ . 1 . 2 ]" 1
538 1 72 ILE HB 1 72 ILE MG 2.250 . 3.200 2.108 2.080 2.142 . 0 0 "[ . 1 . 2 ]" 1
539 1 72 ILE QG 1 72 ILE MG 2.250 . 3.200 2.472 2.419 2.637 . 0 0 "[ . 1 . 2 ]" 1
540 1 72 ILE H 1 72 ILE HA 2.250 . 2.700 2.840 2.745 2.940 0.240 1 0 "[ . 1 . 2 ]" 1
541 1 72 ILE H 1 72 ILE MD 3.400 . 5.500 4.580 4.358 4.756 . 0 0 "[ . 1 . 2 ]" 1
542 1 72 ILE H 1 72 ILE QG 2.550 . 3.800 3.440 3.102 3.603 . 0 0 "[ . 1 . 2 ]" 1
543 1 72 ILE MG 1 73 CYS H 3.400 . 5.500 2.798 1.861 3.352 . 0 0 "[ . 1 . 2 ]" 1
544 1 72 ILE MG 1 74 CYS HB3 3.400 . 5.500 2.140 1.607 2.983 0.193 15 0 "[ . 1 . 2 ]" 1
545 1 72 ILE MG 1 74 CYS HB2 2.250 . 3.200 2.128 1.904 2.447 . 0 0 "[ . 1 . 2 ]" 1
546 1 72 ILE MG 1 74 CYS H 3.400 . 5.500 3.038 2.658 3.266 . 0 0 "[ . 1 . 2 ]" 1
547 1 72 ILE H 1 85 CYS HB3 3.400 . 5.000 3.290 2.721 3.742 . 0 0 "[ . 1 . 2 ]" 1
548 1 72 ILE H 1 85 CYS HB2 2.550 . 3.300 3.494 3.328 3.906 0.606 1 1 "[+ . 1 . 2 ]" 1
549 1 67 CYS HA 1 73 CYS HA 2.250 . 2.700 2.577 1.707 2.835 0.135 1 0 "[ . 1 . 2 ]" 1
550 1 68 ALA H 1 73 CYS HA 2.550 . 3.300 2.770 2.267 3.451 0.151 13 0 "[ . 1 . 2 ]" 1
551 1 68 ALA MB 1 73 CYS H 3.400 . 5.000 4.173 3.620 4.596 . 0 0 "[ . 1 . 2 ]" 1
552 1 72 ILE HA 1 73 CYS H 2.250 . 2.700 2.158 2.059 2.272 . 0 0 "[ . 1 . 2 ]" 1
553 1 73 CYS HA 1 73 CYS HB3 2.550 . 3.300 3.016 3.001 3.046 . 0 0 "[ . 1 . 2 ]" 1
554 1 73 CYS HA 1 73 CYS HB2 2.550 . 3.300 2.505 2.453 2.590 . 0 0 "[ . 1 . 2 ]" 1
555 1 73 CYS H 1 73 CYS HA 2.250 . 2.700 2.854 2.830 2.880 0.180 21 0 "[ . 1 . 2 ]" 1
556 1 73 CYS H 1 73 CYS HB3 2.550 . 3.300 2.667 2.494 2.896 . 0 0 "[ . 1 . 2 ]" 1
557 1 73 CYS H 1 73 CYS HB2 2.550 . 3.300 2.670 2.397 3.096 . 0 0 "[ . 1 . 2 ]" 1
558 1 73 CYS HB3 1 82 ASP QB 2.250 . 2.700 2.226 1.873 2.558 . 0 0 "[ . 1 . 2 ]" 1
559 1 73 CYS HB2 1 82 ASP H 3.400 . 5.000 4.175 3.619 4.433 . 0 0 "[ . 1 . 2 ]" 1
560 1 73 CYS HB2 1 82 ASP QB 2.250 . 2.700 1.741 1.528 2.124 0.272 11 0 "[ . 1 . 2 ]" 1
561 1 73 CYS H 1 82 ASP QB 3.400 . 5.000 2.243 1.859 3.146 . 0 0 "[ . 1 . 2 ]" 1
562 1 73 CYS H 1 82 ASP H 2.550 . 3.300 2.745 2.382 3.018 . 0 0 "[ . 1 . 2 ]" 1
563 1 66 ARG H 1 74 CYS H 2.550 . 3.300 3.211 2.580 3.405 0.105 6 0 "[ . 1 . 2 ]" 1
564 1 68 ALA MB 1 74 CYS H 2.250 . 3.200 2.297 1.767 2.649 0.033 7 0 "[ . 1 . 2 ]" 1
565 1 68 ALA H 1 74 CYS H 3.400 . 5.000 2.413 1.860 4.032 . 0 0 "[ . 1 . 2 ]" 1
566 1 73 CYS HA 1 74 CYS H 2.250 . 2.700 2.103 1.951 2.276 . 0 0 "[ . 1 . 2 ]" 1
567 1 73 CYS HB2 1 74 CYS H 3.400 . 5.000 4.467 4.337 4.636 . 0 0 "[ . 1 . 2 ]" 1
568 1 74 CYS HA 1 74 CYS HB3 2.550 . 3.300 2.980 2.927 3.019 . 0 0 "[ . 1 . 2 ]" 1
569 1 74 CYS HA 1 74 CYS HB2 2.550 . 3.300 2.327 2.234 2.444 . 0 0 "[ . 1 . 2 ]" 1
570 1 74 CYS H 1 74 CYS HA 2.550 . 3.300 2.933 2.916 2.948 . 0 0 "[ . 1 . 2 ]" 1
571 1 74 CYS H 1 74 CYS HB3 2.550 . 3.300 2.457 2.330 2.618 . 0 0 "[ . 1 . 2 ]" 1
572 1 74 CYS H 1 74 CYS HB2 2.550 . 3.300 3.246 2.804 3.427 0.127 8 0 "[ . 1 . 2 ]" 1
573 1 74 CYS HA 1 75 SER H 2.250 . 2.700 2.143 2.036 2.441 . 0 0 "[ . 1 . 2 ]" 1
574 1 74 CYS H 1 75 SER H 3.400 . 5.000 4.354 4.307 4.485 . 0 0 "[ . 1 . 2 ]" 1
575 1 74 CYS HA 1 79 CYS HA 2.250 . 2.700 2.343 2.057 2.737 0.037 13 0 "[ . 1 . 2 ]" 1
576 1 74 CYS H 1 79 CYS HA 3.400 . 5.000 4.433 4.289 4.621 . 0 0 "[ . 1 . 2 ]" 1
577 1 74 CYS HB3 1 75 SER H 3.400 . 5.000 3.951 3.743 4.145 . 0 0 "[ . 1 . 2 ]" 1
578 1 74 CYS HB2 1 75 SER H 3.400 . 5.000 3.669 3.366 3.951 . 0 0 "[ . 1 . 2 ]" 1
579 1 75 SER HA 1 75 SER HB3 2.550 . 3.300 2.480 2.348 2.512 . 0 0 "[ . 1 . 2 ]" 1
580 1 75 SER HA 1 75 SER HB2 2.550 . 3.300 3.028 3.009 3.042 . 0 0 "[ . 1 . 2 ]" 1
581 1 75 SER H 1 75 SER HA 2.250 . 2.700 2.921 2.894 2.954 0.254 1 0 "[ . 1 . 2 ]" 1
582 1 75 SER H 1 75 SER HB3 3.400 . 5.000 3.758 3.652 3.873 . 0 0 "[ . 1 . 2 ]" 1
583 1 75 SER H 1 75 SER HB2 3.400 . 5.000 2.635 2.477 2.972 . 0 0 "[ . 1 . 2 ]" 1
584 1 75 SER H 1 78 GLY H 2.550 . 3.300 3.042 2.911 3.304 0.004 9 0 "[ . 1 . 2 ]" 1
585 1 75 SER H 1 79 CYS HA 3.400 . 5.000 3.522 3.359 3.679 . 0 0 "[ . 1 . 2 ]" 1
586 1 76 PRO HA 1 76 PRO HB3 2.250 . 2.700 2.304 2.279 2.340 . 0 0 "[ . 1 . 2 ]" 1
587 1 76 PRO HA 1 76 PRO HB2 2.550 . 3.300 2.739 2.669 2.790 . 0 0 "[ . 1 . 2 ]" 1
588 1 75 SER HB3 1 77 ASP H 2.550 . 3.300 3.417 3.326 3.751 0.451 1 0 "[ . 1 . 2 ]" 1
589 1 75 SER HB2 1 77 ASP H 2.250 . 2.700 2.743 2.478 2.820 0.120 14 0 "[ . 1 . 2 ]" 1
590 1 76 PRO HB2 1 77 ASP H 2.550 . 3.300 3.291 3.100 3.622 0.322 1 0 "[ . 1 . 2 ]" 1
591 1 77 ASP H 1 77 ASP HA 2.550 . 3.300 2.769 2.739 2.865 . 0 0 "[ . 1 . 2 ]" 1
592 1 77 ASP H 1 77 ASP HB3 2.550 . 3.300 3.123 2.913 3.303 0.003 14 0 "[ . 1 . 2 ]" 1
593 1 77 ASP H 1 77 ASP HB2 2.250 . 2.700 2.044 2.006 2.122 . 0 0 "[ . 1 . 2 ]" 1
594 1 77 ASP HA 1 78 GLY H 3.400 . 5.000 3.554 3.526 3.593 . 0 0 "[ . 1 . 2 ]" 1
595 1 77 ASP HB3 1 78 GLY H 3.400 . 5.000 2.463 2.117 3.032 . 0 0 "[ . 1 . 2 ]" 1
596 1 77 ASP HB2 1 78 GLY H 2.550 . 3.300 3.139 2.883 3.284 . 0 0 "[ . 1 . 2 ]" 1
597 1 78 GLY H 1 78 GLY HA3 2.250 . 2.700 2.780 2.726 2.824 0.124 4 0 "[ . 1 . 2 ]" 1
598 1 78 GLY H 1 78 GLY HA2 2.250 . 2.700 2.804 2.751 2.869 0.169 9 0 "[ . 1 . 2 ]" 1
599 1 78 GLY H 1 79 CYS H 3.400 . 5.000 4.325 4.236 4.426 . 0 0 "[ . 1 . 2 ]" 1
600 1 72 ILE MD 1 79 CYS HB3 2.250 . 3.200 2.710 2.487 2.799 . 0 0 "[ . 1 . 2 ]" 1
601 1 72 ILE MD 1 79 CYS HB2 2.550 . 3.800 2.959 2.343 3.532 . 0 0 "[ . 1 . 2 ]" 1
602 1 72 ILE MG 1 79 CYS H 3.400 . 5.500 4.714 4.600 4.806 . 0 0 "[ . 1 . 2 ]" 1
603 1 78 GLY HA3 1 79 CYS H 2.250 . 2.700 2.875 2.811 2.929 0.229 21 0 "[ . 1 . 2 ]" 1
604 1 78 GLY HA2 1 79 CYS H 2.550 . 3.300 2.333 2.268 2.419 . 0 0 "[ . 1 . 2 ]" 1
605 1 79 CYS HA 1 79 CYS HB3 2.550 . 3.300 2.327 2.274 2.412 . 0 0 "[ . 1 . 2 ]" 1
606 1 79 CYS HA 1 79 CYS HB2 2.550 . 3.300 2.969 2.944 3.008 . 0 0 "[ . 1 . 2 ]" 1
607 1 79 CYS H 1 79 CYS HA 2.550 . 3.300 2.923 2.900 2.961 . 0 0 "[ . 1 . 2 ]" 1
608 1 79 CYS H 1 79 CYS HB3 3.400 . 5.000 3.772 3.681 3.837 . 0 0 "[ . 1 . 2 ]" 1
609 1 79 CYS H 1 79 CYS HB2 2.550 . 3.300 2.832 2.640 2.912 . 0 0 "[ . 1 . 2 ]" 1
610 1 79 CYS HA 1 80 GLU H 2.250 . 2.700 2.125 2.048 2.329 . 0 0 "[ . 1 . 2 ]" 1
611 1 79 CYS H 1 80 GLU H 3.400 . 5.000 4.400 4.292 4.578 . 0 0 "[ . 1 . 2 ]" 1
612 1 72 ILE HA 1 80 GLU H 3.400 . 5.000 4.031 3.514 4.791 . 0 0 "[ . 1 . 2 ]" 1
613 1 72 ILE MD 1 80 GLU H 2.250 . 3.200 2.791 2.732 2.978 . 0 0 "[ . 1 . 2 ]" 1
614 1 73 CYS H 1 80 GLU H 2.550 . 3.300 3.396 3.243 3.944 0.644 1 1 "[+ . 1 . 2 ]" 1
615 1 74 CYS HA 1 80 GLU H 2.550 . 3.300 3.383 3.048 3.648 0.348 1 0 "[ . 1 . 2 ]" 1
616 1 75 SER H 1 80 GLU H 3.400 . 5.000 5.222 5.061 5.466 0.466 1 0 "[ . 1 . 2 ]" 1
617 1 79 CYS HB3 1 80 GLU H 2.550 . 3.300 2.847 2.696 3.023 . 0 0 "[ . 1 . 2 ]" 1
618 1 79 CYS HB2 1 80 GLU H 2.550 . 3.300 3.611 3.492 3.813 0.513 1 1 "[+ . 1 . 2 ]" 1
619 1 80 GLU HA 1 80 GLU HB3 2.250 . 2.700 2.452 2.409 2.514 . 0 0 "[ . 1 . 2 ]" 1
620 1 80 GLU H 1 80 GLU HA 2.250 . 2.700 2.879 2.836 2.920 0.220 21 0 "[ . 1 . 2 ]" 1
621 1 80 GLU H 1 80 GLU HB3 2.550 . 3.300 3.285 3.218 3.378 0.078 1 0 "[ . 1 . 2 ]" 1
622 1 80 GLU H 1 80 GLU HG3 2.250 . 2.700 2.572 2.265 2.723 0.023 8 0 "[ . 1 . 2 ]" 1
623 1 80 GLU HA 1 81 GLU H 2.250 . 2.700 2.205 2.160 2.254 . 0 0 "[ . 1 . 2 ]" 1
624 1 72 ILE MD 1 81 GLU HA 3.400 . 5.000 2.444 2.107 3.303 . 0 0 "[ . 1 . 2 ]" 1
625 1 72 ILE MD 1 81 GLU HG3 3.400 . 5.500 4.429 3.412 4.687 . 0 0 "[ . 1 . 2 ]" 1
626 1 72 ILE MD 1 81 GLU HG2 3.400 . 5.500 3.668 2.930 4.251 . 0 0 "[ . 1 . 2 ]" 1
627 1 72 ILE MD 1 81 GLU H 2.550 . 3.800 2.294 1.788 2.845 0.012 13 0 "[ . 1 . 2 ]" 1
628 1 72 ILE MG 1 81 GLU H 3.400 . 5.500 4.154 3.673 4.463 . 0 0 "[ . 1 . 2 ]" 1
629 1 81 GLU HA 1 81 GLU HB3 2.250 . 2.700 2.319 2.233 2.374 . 0 0 "[ . 1 . 2 ]" 1
630 1 81 GLU HA 1 81 GLU HB2 2.250 . 2.700 2.586 2.518 2.672 . 0 0 "[ . 1 . 2 ]" 1
631 1 81 GLU HA 1 81 GLU HG3 3.400 . 5.000 3.861 3.503 4.113 . 0 0 "[ . 1 . 2 ]" 1
632 1 81 GLU HA 1 81 GLU HG2 3.400 . 5.000 3.649 3.485 4.027 . 0 0 "[ . 1 . 2 ]" 1
633 1 81 GLU HB3 1 81 GLU HG3 2.250 . 2.700 2.845 2.767 2.976 0.276 1 0 "[ . 1 . 2 ]" 1
634 1 81 GLU HB3 1 81 GLU HG2 2.250 . 2.700 2.539 2.183 2.796 0.096 12 0 "[ . 1 . 2 ]" 1
635 1 81 GLU H 1 81 GLU HG2 2.250 . 2.700 2.053 1.789 2.733 0.033 10 0 "[ . 1 . 2 ]" 1
636 1 81 GLU H 1 81 GLU HA 2.250 . 2.700 2.722 2.654 2.771 0.071 1 0 "[ . 1 . 2 ]" 1
637 1 81 GLU H 1 81 GLU HB3 2.250 . 2.700 2.712 2.590 2.795 0.095 5 0 "[ . 1 . 2 ]" 1
638 1 81 GLU H 1 81 GLU HG3 2.550 . 3.300 2.921 1.849 3.404 0.104 20 0 "[ . 1 . 2 ]" 1
639 1 81 GLU HA 1 82 ASP H 2.550 . 3.300 2.124 2.050 2.295 . 0 0 "[ . 1 . 2 ]" 1
640 1 72 ILE HA 1 82 ASP H 2.250 . 2.700 1.966 1.736 2.597 0.064 9 0 "[ . 1 . 2 ]" 1
641 1 72 ILE MG 1 82 ASP H 3.400 . 5.500 4.118 3.162 4.629 . 0 0 "[ . 1 . 2 ]" 1
642 1 81 GLU HB3 1 82 ASP H 3.400 . 5.000 4.168 3.899 4.507 . 0 0 "[ . 1 . 2 ]" 1
643 1 81 GLU QG 1 82 ASP H 3.400 . 5.500 4.433 4.336 4.593 . 0 0 "[ . 1 . 2 ]" 1
644 1 81 GLU H 1 82 ASP H 3.400 . 5.000 4.339 4.043 4.514 . 0 0 "[ . 1 . 2 ]" 1
645 1 82 ASP HA 1 82 ASP QB 2.250 . 2.700 2.191 2.153 2.327 . 0 0 "[ . 1 . 2 ]" 1
646 1 82 ASP H 1 82 ASP HA 2.250 . 2.700 2.865 2.769 2.909 0.209 1 0 "[ . 1 . 2 ]" 1
647 1 82 ASP H 1 82 ASP QB 2.550 . 3.300 2.780 2.297 2.953 . 0 0 "[ . 1 . 2 ]" 1
648 1 82 ASP HA 1 83 PRO QD 2.250 . 2.700 1.851 1.733 1.928 0.067 21 0 "[ . 1 . 2 ]" 1
649 1 82 ASP QB 1 83 PRO QD 3.400 . 5.000 3.211 2.925 3.342 . 0 0 "[ . 1 . 2 ]" 1
650 1 82 ASP H 1 83 PRO QD 3.400 . 5.000 3.867 3.711 4.113 . 0 0 "[ . 1 . 2 ]" 1
651 1 83 PRO HA 1 83 PRO HB3 2.250 . 2.700 2.338 2.295 2.365 . 0 0 "[ . 1 . 2 ]" 1
652 1 83 PRO HA 1 83 PRO HB2 2.550 . 3.300 2.985 2.964 3.008 . 0 0 "[ . 1 . 2 ]" 1
653 1 83 PRO HB2 1 83 PRO QD . . 2.700 2.720 2.682 2.852 0.152 1 0 "[ . 1 . 2 ]" 1
654 1 83 PRO HB3 1 83 PRO QD 3.400 . 5.000 3.502 3.489 3.528 . 0 0 "[ . 1 . 2 ]" 1
655 1 83 PRO QD 1 83 PRO HG3 2.250 . 2.700 2.258 2.242 2.268 . 0 0 "[ . 1 . 2 ]" 1
656 1 83 PRO HB3 1 83 PRO HG3 2.250 . 2.700 2.331 2.304 2.355 . 0 0 "[ . 1 . 2 ]" 1
657 1 82 ASP HA 1 84 ALA H 2.550 . 3.300 3.207 3.086 3.495 0.195 1 0 "[ . 1 . 2 ]" 1
658 1 82 ASP QB 1 84 ALA H . . 2.700 2.628 2.184 2.780 0.080 20 0 "[ . 1 . 2 ]" 1
659 1 83 PRO QD 1 84 ALA MB 3.400 . 5.500 3.527 3.419 3.896 . 0 0 "[ . 1 . 2 ]" 1
660 1 83 PRO HA 1 84 ALA H 2.550 . 3.300 3.309 3.188 3.367 0.067 12 0 "[ . 1 . 2 ]" 1
661 1 83 PRO QD 1 84 ALA H 3.400 . 5.000 2.618 2.405 3.045 . 0 0 "[ . 1 . 2 ]" 1
662 1 83 PRO HG3 1 84 ALA H 3.400 . 5.000 4.508 4.382 4.868 . 0 0 "[ . 1 . 2 ]" 1
663 1 84 ALA H 1 84 ALA HA 2.250 . 2.700 2.800 2.774 2.891 0.191 1 0 "[ . 1 . 2 ]" 1
664 1 84 ALA H 1 84 ALA MB 2.250 . 3.200 1.972 1.873 2.187 . 0 0 "[ . 1 . 2 ]" 1
665 1 84 ALA H 1 85 CYS QB 3.400 . 5.500 4.212 3.948 4.443 . 0 0 "[ . 1 . 2 ]" 1
666 1 84 ALA H 1 85 CYS H 2.250 . 2.700 2.364 2.249 2.712 0.012 1 0 "[ . 1 . 2 ]" 1
667 1 71 GLY H 1 85 CYS HB3 3.400 . 5.000 3.190 2.701 4.122 . 0 0 "[ . 1 . 2 ]" 1
668 1 83 PRO HA 1 85 CYS H 3.400 . 5.000 3.526 3.310 3.842 . 0 0 "[ . 1 . 2 ]" 1
669 1 84 ALA HA 1 85 CYS H 3.400 . 5.000 3.372 3.097 3.498 . 0 0 "[ . 1 . 2 ]" 1
670 1 84 ALA MB 1 85 CYS H 2.250 . 3.200 2.824 2.691 3.543 0.343 1 0 "[ . 1 . 2 ]" 1
671 1 85 CYS HA 1 85 CYS HB3 2.250 . 2.700 2.785 2.556 2.938 0.238 12 0 "[ . 1 . 2 ]" 1
672 1 85 CYS HA 1 85 CYS HB2 2.250 . 2.700 2.777 2.439 2.953 0.253 21 0 "[ . 1 . 2 ]" 1
673 1 85 CYS H 1 85 CYS HA 2.250 . 2.700 2.862 2.836 2.885 0.185 1 0 "[ . 1 . 2 ]" 1
674 1 85 CYS H 1 85 CYS HB3 3.400 . 5.000 3.296 2.511 3.661 . 0 0 "[ . 1 . 2 ]" 1
675 1 85 CYS H 1 85 CYS HB2 2.250 . 2.700 2.545 2.299 2.789 0.089 1 0 "[ . 1 . 2 ]" 1
676 1 83 PRO QB 1 85 CYS H 3.400 . 5.500 4.515 4.284 4.898 . 0 0 "[ . 1 . 2 ]" 1
677 1 83 PRO HA 1 86 ASP H 3.400 . 5.000 2.926 2.683 3.892 . 0 0 "[ . 1 . 2 ]" 1
678 1 84 ALA HA 1 86 ASP H 3.400 . 5.000 5.121 5.005 5.362 0.362 1 0 "[ . 1 . 2 ]" 1
679 1 86 ASP H 1 89 ALA MB 2.250 . 3.200 2.141 1.912 2.642 . 0 0 "[ . 1 . 2 ]" 1
680 1 86 ASP H 1 86 ASP HA 2.550 . 3.300 2.831 2.779 2.872 . 0 0 "[ . 1 . 2 ]" 1
681 1 86 ASP H 1 86 ASP HB3 2.550 . 3.300 3.369 3.344 3.421 0.121 1 0 "[ . 1 . 2 ]" 1
682 1 86 ASP H 1 89 ALA HA 3.400 . 5.000 4.061 3.195 4.659 . 0 0 "[ . 1 . 2 ]" 1
683 1 83 PRO QD 1 87 PRO QD 3.400 . 5.000 3.839 3.592 4.651 . 0 0 "[ . 1 . 2 ]" 1
684 1 85 CYS HA 1 87 PRO QD 3.400 . 5.000 4.699 4.567 4.854 . 0 0 "[ . 1 . 2 ]" 1
685 1 86 ASP HB3 1 87 PRO QD 2.250 . 2.700 2.715 2.599 2.855 0.155 21 0 "[ . 1 . 2 ]" 1
686 1 86 ASP H 1 87 PRO QD 2.250 . 2.700 1.728 1.665 1.775 0.135 16 0 "[ . 1 . 2 ]" 1
687 1 87 PRO HA 1 87 PRO HB3 2.250 . 2.700 2.241 2.218 2.265 . 0 0 "[ . 1 . 2 ]" 1
688 1 87 PRO HA 1 87 PRO HB2 2.550 . 3.300 2.786 2.716 2.838 . 0 0 "[ . 1 . 2 ]" 1
689 1 87 PRO HB2 1 87 PRO QD 3.400 . 5.000 3.017 2.803 3.299 . 0 0 "[ . 1 . 2 ]" 1
690 1 87 PRO HB3 1 87 PRO QD 3.400 . 5.000 3.463 3.426 3.483 . 0 0 "[ . 1 . 2 ]" 1
691 1 87 PRO QD 1 87 PRO HG3 2.250 . 2.700 2.262 2.226 2.318 . 0 0 "[ . 1 . 2 ]" 1
692 1 87 PRO HB3 1 88 GLU QB 3.400 . 5.500 4.835 4.751 4.927 . 0 0 "[ . 1 . 2 ]" 1
693 1 87 PRO HB3 1 88 GLU H 2.550 . 3.300 3.432 3.360 3.505 0.205 14 0 "[ . 1 . 2 ]" 1
694 1 87 PRO HB2 1 88 GLU H 2.550 . 3.300 2.069 1.929 2.290 . 0 0 "[ . 1 . 2 ]" 1
695 1 87 PRO QD 1 89 ALA HA 3.400 . 5.000 3.842 3.347 4.267 . 0 0 "[ . 1 . 2 ]" 1
696 1 87 PRO QD 1 89 ALA MB 2.550 . 3.800 2.534 2.222 2.889 . 0 0 "[ . 1 . 2 ]" 1
697 1 87 PRO QD 1 92 SER HB3 3.400 . 5.000 4.772 4.347 5.099 0.099 1 0 "[ . 1 . 2 ]" 1
698 1 81 GLU HA 1 88 GLU H 3.400 . 5.000 4.569 3.989 4.963 . 0 0 "[ . 1 . 2 ]" 1
699 1 81 GLU H 1 88 GLU HB2 3.400 . 5.000 5.151 5.051 5.362 0.362 1 0 "[ . 1 . 2 ]" 1
700 1 86 ASP QB 1 88 GLU H 3.400 . 5.500 5.124 5.015 5.634 0.134 1 0 "[ . 1 . 2 ]" 1
701 1 87 PRO HA 1 88 GLU H 2.550 . 3.300 3.431 3.372 3.550 0.250 1 0 "[ . 1 . 2 ]" 1
702 1 87 PRO QD 1 88 GLU H 2.550 . 3.300 1.745 1.381 2.387 0.419 9 0 "[ . 1 . 2 ]" 1
703 1 88 GLU HA 1 88 GLU HB3 2.550 . 3.300 2.999 2.967 3.029 . 0 0 "[ . 1 . 2 ]" 1
704 1 88 GLU HA 1 88 GLU HB2 2.250 . 2.700 2.614 2.545 2.657 . 0 0 "[ . 1 . 2 ]" 1
705 1 88 GLU HA 1 88 GLU HG3 2.250 . 2.700 2.499 2.235 2.743 0.043 12 0 "[ . 1 . 2 ]" 1
706 1 88 GLU H 1 88 GLU HA 2.250 . 2.700 2.862 2.808 2.892 0.192 8 0 "[ . 1 . 2 ]" 1
707 1 88 GLU H 1 88 GLU HB3 2.250 . 2.700 2.649 2.448 2.718 0.018 20 0 "[ . 1 . 2 ]" 1
708 1 88 GLU H 1 88 GLU HB2 2.250 . 2.700 2.378 2.245 2.530 . 0 0 "[ . 1 . 2 ]" 1
709 1 88 GLU H 1 88 GLU HG3 3.400 . 5.000 4.361 4.287 4.447 . 0 0 "[ . 1 . 2 ]" 1
710 1 88 GLU H 1 88 GLU HG2 3.400 . 5.000 4.532 4.466 4.628 . 0 0 "[ . 1 . 2 ]" 1
711 1 88 GLU HA 1 89 ALA MB 3.400 . 5.500 4.592 4.472 4.678 . 0 0 "[ . 1 . 2 ]" 1
712 1 88 GLU HA 1 89 ALA H 2.550 . 3.300 3.097 2.987 3.266 . 0 0 "[ . 1 . 2 ]" 1
713 1 88 GLU H 1 89 ALA MB 3.400 . 5.500 3.578 3.294 3.969 . 0 0 "[ . 1 . 2 ]" 1
714 1 84 ALA HA 1 89 ALA HA 3.400 . 5.000 5.027 4.598 5.154 0.154 19 0 "[ . 1 . 2 ]" 1
715 1 88 GLU HB3 1 89 ALA H 2.550 . 3.300 3.407 3.318 3.698 0.398 1 0 "[ . 1 . 2 ]" 1
716 1 88 GLU HB2 1 89 ALA H 3.400 . 5.000 3.982 3.898 4.279 . 0 0 "[ . 1 . 2 ]" 1
717 1 88 GLU H 1 89 ALA H 2.250 . 2.700 2.243 2.078 2.622 . 0 0 "[ . 1 . 2 ]" 1
718 1 89 ALA H 1 89 ALA HA 2.250 . 2.700 2.694 2.423 2.775 0.075 1 0 "[ . 1 . 2 ]" 1
719 1 89 ALA H 1 89 ALA MB 2.250 . 3.200 1.997 1.858 2.230 . 0 0 "[ . 1 . 2 ]" 1
720 1 89 ALA HA 1 90 ALA H 2.250 . 2.700 2.268 1.789 3.379 0.679 14 2 "[ . -1 +. 2 ]" 1
721 1 89 ALA MB 1 92 SER HB3 2.250 . 3.200 2.114 1.805 2.790 . 0 0 "[ . 1 . 2 ]" 1
722 1 89 ALA MB 1 90 ALA HA 3.400 . 5.500 3.928 3.817 4.157 . 0 0 "[ . 1 . 2 ]" 1
723 1 90 ALA H 1 90 ALA HA 2.250 . 2.700 2.880 2.805 2.948 0.248 1 0 "[ . 1 . 2 ]" 1
724 1 90 ALA H 1 90 ALA MB 2.250 . 3.200 2.160 2.093 2.343 . 0 0 "[ . 1 . 2 ]" 1
725 1 90 ALA MB 1 92 SER HB3 2.550 . 3.800 3.397 3.254 4.687 0.887 1 1 "[+ . 1 . 2 ]" 1
726 1 91 PHE HA 1 91 PHE QD 3.400 . 5.500 2.989 1.989 3.730 . 0 0 "[ . 1 . 2 ]" 1
727 1 91 PHE HB3 1 91 PHE QD 2.550 . 3.800 2.430 2.264 2.693 . 0 0 "[ . 1 . 2 ]" 1
728 1 91 PHE HA 1 92 SER H 2.550 . 3.300 2.690 2.388 3.294 . 0 0 "[ . 1 . 2 ]" 1
729 1 2 VAL HA 1 3 LEU MD1 3.400 . 5.500 4.310 3.038 5.412 . 0 0 "[ . 1 . 2 ]" 1
730 1 29 GLY H 1 32 LEU HA 3.400 . 5.000 5.155 5.048 5.368 0.368 1 0 "[ . 1 . 2 ]" 1
731 1 31 GLU HB2 1 32 LEU HA 3.400 . 5.000 4.793 4.715 4.883 . 0 0 "[ . 1 . 2 ]" 1
732 1 32 LEU MD1 1 35 PHE QD 3.400 . 5.500 3.701 3.127 4.106 . 0 0 "[ . 1 . 2 ]" 1
733 1 59 LYS HA 1 59 LYS HD3 3.400 . 5.000 4.680 2.453 5.428 0.428 1 0 "[ . 1 . 2 ]" 1
734 1 55 GLN HA 1 55 GLN QE 3.400 . 5.000 3.876 1.955 4.486 . 0 0 "[ . 1 . 2 ]" 1
735 1 54 CYS H 1 54 CYS HA 2.550 . 2.700 2.735 2.214 2.912 0.212 3 0 "[ . 1 . 2 ]" 1
736 1 56 SER HB3 1 56 SER HG 2.250 . 2.700 2.367 2.091 2.714 0.014 8 0 "[ . 1 . 2 ]" 1
737 1 56 SER H 1 56 SER HA 2.250 . 2.700 2.722 2.268 2.902 0.202 9 0 "[ . 1 . 2 ]" 1
738 1 56 SER H 1 56 SER HB3 2.550 . 3.300 3.116 2.450 3.320 0.020 18 0 "[ . 1 . 2 ]" 1
739 1 50 LEU H 1 50 LEU HA 2.550 . 3.300 2.931 2.914 2.951 . 0 0 "[ . 1 . 2 ]" 1
740 1 54 CYS HA 1 54 CYS HB3 2.550 . 3.300 2.662 2.222 3.025 . 0 0 "[ . 1 . 2 ]" 1
741 1 54 CYS HA 1 54 CYS HB2 2.550 . 3.300 2.463 2.306 2.814 . 0 0 "[ . 1 . 2 ]" 1
742 1 54 CYS H 1 54 CYS HB3 2.550 . 3.300 3.095 2.184 3.739 0.439 1 0 "[ . 1 . 2 ]" 1
743 1 26 ILE MD 1 78 GLY H 5.500 3.900 7.100 4.451 4.012 4.750 . 0 0 "[ . 1 . 2 ]" 1
744 1 34 CYS H 1 72 ILE MD 5.500 3.900 7.100 3.395 2.543 4.236 1.357 18 11 "[ * .*** 1- ** *+*2*]" 1
745 1 34 CYS H 1 72 ILE QG 5.500 3.900 7.100 3.778 2.300 5.947 1.600 8 11 "[ *- .**+ 1** ** * *2 ]" 1
746 1 33 GLY HA3 1 70 ALA H 5.500 3.900 7.100 6.014 5.426 6.433 . 0 0 "[ . 1 . 2 ]" 1
747 1 5 LEU HB3 1 7 VAL H 3.400 . 5.000 4.462 2.119 5.336 0.336 1 0 "[ . 1 . 2 ]" 1
748 1 5 LEU HG 1 7 VAL H 2.550 . 3.300 3.534 2.690 4.948 1.648 16 3 "[* . 1- .+ 2 ]" 1
749 1 6 ASP HA 1 7 VAL H 2.550 . 3.300 3.438 3.253 3.632 0.332 1 0 "[ . 1 . 2 ]" 1
750 1 82 ASP QB 1 85 CYS HB2 2.550 . 3.300 3.376 3.286 4.023 0.723 1 1 "[+ . 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 50
_Distance_constraint_stats_list.Viol_count 245
_Distance_constraint_stats_list.Viol_total 347.561
_Distance_constraint_stats_list.Viol_max 0.722
_Distance_constraint_stats_list.Viol_rms 0.0455
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0158
_Distance_constraint_stats_list.Viol_average_violations_only 0.0676
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 LEU 1.239 0.153 1 0 "[ . 1 . 2 ]"
1 13 CYS 0.742 0.090 3 0 "[ . 1 . 2 ]"
1 19 GLY 0.742 0.090 3 0 "[ . 1 . 2 ]"
1 20 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 CYS 1.239 0.153 1 0 "[ . 1 . 2 ]"
1 22 PHE 2.093 0.333 1 0 "[ . 1 . 2 ]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 ILE 2.093 0.333 1 0 "[ . 1 . 2 ]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 29 GLY 0.137 0.045 5 0 "[ . 1 . 2 ]"
1 33 GLY 0.137 0.045 5 0 "[ . 1 . 2 ]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 ALA 0.225 0.106 1 0 "[ . 1 . 2 ]"
1 41 ALA 1.095 0.086 20 0 "[ . 1 . 2 ]"
1 42 LEU 0.225 0.106 1 0 "[ . 1 . 2 ]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 CYS 1.095 0.086 20 0 "[ . 1 . 2 ]"
1 45 GLN 0.327 0.074 8 0 "[ . 1 . 2 ]"
1 46 GLU 1.197 0.086 9 0 "[ . 1 . 2 ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 48 ASN 0.327 0.074 8 0 "[ . 1 . 2 ]"
1 49 TYR 1.197 0.086 9 0 "[ . 1 . 2 ]"
1 59 LYS 1.714 0.231 1 0 "[ . 1 . 2 ]"
1 61 CYS 2.256 0.406 1 0 "[ . 1 . 2 ]"
1 65 GLY 2.256 0.406 1 0 "[ . 1 . 2 ]"
1 66 ARG 0.715 0.199 8 0 "[ . 1 . 2 ]"
1 67 CYS 1.714 0.231 1 0 "[ . 1 . 2 ]"
1 68 ALA 0.200 0.084 5 0 "[ . 1 . 2 ]"
1 72 ILE 0.200 0.084 5 0 "[ . 1 . 2 ]"
1 73 CYS 3.984 0.722 1 1 "[+ . 1 . 2 ]"
1 74 CYS 0.715 0.199 8 0 "[ . 1 . 2 ]"
1 75 SER 0.628 0.096 5 0 "[ . 1 . 2 ]"
1 78 GLY 0.628 0.096 5 0 "[ . 1 . 2 ]"
1 80 GLU 3.984 0.722 1 1 "[+ . 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 13 CYS N 1 19 GLY O 3.000 2.300 3.500 2.508 2.289 2.648 0.011 8 0 "[ . 1 . 2 ]" 2
2 1 13 CYS H 1 19 GLY O 2.000 . 2.500 1.804 1.651 2.047 . 0 0 "[ . 1 . 2 ]" 2
3 1 13 CYS O 1 19 GLY N 3.000 2.300 3.500 3.373 2.860 3.509 0.009 3 0 "[ . 1 . 2 ]" 2
4 1 13 CYS O 1 19 GLY H 2.000 . 2.500 2.493 1.914 2.590 0.090 3 0 "[ . 1 . 2 ]" 2
5 1 11 LEU O 1 21 CYS N 3.000 2.300 3.500 3.379 3.168 3.509 0.009 5 0 "[ . 1 . 2 ]" 2
6 1 11 LEU O 1 21 CYS H 2.000 . 2.500 2.548 2.362 2.653 0.153 1 0 "[ . 1 . 2 ]" 2
7 1 22 PHE N 1 26 ILE O 3.000 2.300 3.500 3.354 3.178 3.622 0.122 1 0 "[ . 1 . 2 ]" 2
8 1 22 PHE H 1 26 ILE O 2.000 . 2.500 2.594 2.530 2.833 0.333 1 0 "[ . 1 . 2 ]" 2
9 1 27 CYS N 1 35 PHE O 3.000 2.300 3.500 2.881 2.579 3.101 . 0 0 "[ . 1 . 2 ]" 2
10 1 27 CYS H 1 35 PHE O 2.000 . 2.500 1.977 1.714 2.251 . 0 0 "[ . 1 . 2 ]" 2
11 1 20 ARG O 1 28 CYS N 3.000 2.300 3.500 2.742 2.594 3.068 . 0 0 "[ . 1 . 2 ]" 2
12 1 20 ARG O 1 28 CYS H 2.000 . 2.500 1.856 1.699 2.115 . 0 0 "[ . 1 . 2 ]" 2
13 1 29 GLY N 1 33 GLY O 3.000 2.300 3.500 2.490 2.295 2.582 0.005 21 0 "[ . 1 . 2 ]" 2
14 1 29 GLY H 1 33 GLY O 2.000 . 2.500 1.695 1.493 2.056 . 0 0 "[ . 1 . 2 ]" 2
15 1 29 GLY O 1 33 GLY N 3.000 2.300 3.500 2.945 2.643 3.133 . 0 0 "[ . 1 . 2 ]" 2
16 1 29 GLY O 1 33 GLY H 2.000 . 2.500 2.395 1.772 2.545 0.045 5 0 "[ . 1 . 2 ]" 2
17 1 27 CYS O 1 35 PHE N 3.000 2.300 3.500 2.658 2.494 3.123 . 0 0 "[ . 1 . 2 ]" 2
18 1 27 CYS O 1 35 PHE H 2.000 . 2.500 1.798 1.623 2.174 . 0 0 "[ . 1 . 2 ]" 2
19 1 25 SER O 1 37 GLY N 3.000 2.300 3.500 2.479 2.327 2.547 . 0 0 "[ . 1 . 2 ]" 2
20 1 25 SER O 1 37 GLY H 2.000 . 2.500 1.690 1.498 1.946 . 0 0 "[ . 1 . 2 ]" 2
21 1 61 CYS O 1 65 GLY N 3.000 2.300 3.500 3.332 3.231 3.695 0.195 1 0 "[ . 1 . 2 ]" 2
22 1 61 CYS O 1 65 GLY H 2.000 . 2.500 2.586 2.396 2.906 0.406 1 0 "[ . 1 . 2 ]" 2
23 1 61 CYS N 1 65 GLY O 3.000 2.300 3.500 2.532 2.278 2.948 0.022 21 0 "[ . 1 . 2 ]" 2
24 1 61 CYS H 1 65 GLY O 2.000 . 2.500 1.755 1.427 2.026 . 0 0 "[ . 1 . 2 ]" 2
25 1 59 LYS O 1 67 CYS N 3.000 2.300 3.500 3.237 2.596 3.543 0.043 10 0 "[ . 1 . 2 ]" 2
26 1 59 LYS O 1 67 CYS H 2.000 . 2.500 2.467 1.618 2.731 0.231 1 0 "[ . 1 . 2 ]" 2
27 1 66 ARG N 1 74 CYS O 3.000 2.300 3.500 3.125 2.517 3.543 0.043 8 0 "[ . 1 . 2 ]" 2
28 1 66 ARG H 1 74 CYS O 2.000 . 2.500 2.321 1.661 2.699 0.199 8 0 "[ . 1 . 2 ]" 2
29 1 68 ALA N 1 72 ILE O 3.000 2.300 3.500 2.452 2.261 2.671 0.039 8 0 "[ . 1 . 2 ]" 2
30 1 68 ALA H 1 72 ILE O 2.000 . 2.500 2.225 1.882 2.584 0.084 5 0 "[ . 1 . 2 ]" 2
31 1 75 SER N 1 78 GLY O 3.000 2.300 3.500 3.417 3.128 3.537 0.037 5 0 "[ . 1 . 2 ]" 2
32 1 75 SER H 1 78 GLY O 2.000 . 2.500 2.475 2.170 2.596 0.096 5 0 "[ . 1 . 2 ]" 2
33 1 73 CYS N 1 80 GLU O 3.000 2.300 3.500 2.811 2.570 3.437 . 0 0 "[ . 1 . 2 ]" 2
34 1 73 CYS H 1 80 GLU O 2.000 . 2.500 2.000 1.763 2.595 0.095 1 0 "[ . 1 . 2 ]" 2
35 1 73 CYS O 1 80 GLU N 3.000 2.300 3.500 3.499 3.365 3.989 0.489 1 0 "[ . 1 . 2 ]" 2
36 1 73 CYS O 1 80 GLU H 2.000 . 2.500 2.634 2.536 3.222 0.722 1 1 "[+ . 1 . 2 ]" 2
37 1 46 GLU O 1 49 TYR N 3.000 2.300 3.500 3.473 3.271 3.560 0.060 9 0 "[ . 1 . 2 ]" 2
38 1 46 GLU O 1 49 TYR H 2.000 . 2.500 2.533 2.356 2.586 0.086 9 0 "[ . 1 . 2 ]" 2
39 1 45 GLN O 1 48 ASN N 3.000 2.300 3.500 3.293 2.831 3.471 . 0 0 "[ . 1 . 2 ]" 2
40 1 45 GLN O 1 48 ASN H 2.000 . 2.500 2.438 1.981 2.574 0.074 8 0 "[ . 1 . 2 ]" 2
41 1 44 CYS O 1 47 GLU N 3.000 2.300 3.500 2.721 2.540 3.284 . 0 0 "[ . 1 . 2 ]" 2
42 1 44 CYS O 1 47 GLU H 2.000 . 2.500 1.906 1.655 2.497 . 0 0 "[ . 1 . 2 ]" 2
43 1 43 ARG O 1 46 GLU N 3.000 2.300 3.500 2.972 2.717 3.212 . 0 0 "[ . 1 . 2 ]" 2
44 1 43 ARG O 1 46 GLU H 2.000 . 2.500 2.105 1.814 2.490 . 0 0 "[ . 1 . 2 ]" 2
45 1 42 LEU O 1 45 GLN N 3.000 2.300 3.500 2.789 2.592 3.041 . 0 0 "[ . 1 . 2 ]" 2
46 1 42 LEU O 1 45 GLN H 2.000 . 2.500 1.861 1.652 2.127 . 0 0 "[ . 1 . 2 ]" 2
47 1 41 ALA O 1 44 CYS N 3.000 2.300 3.500 3.492 3.438 3.527 0.027 5 0 "[ . 1 . 2 ]" 2
48 1 41 ALA O 1 44 CYS H 2.000 . 2.500 2.546 2.474 2.586 0.086 20 0 "[ . 1 . 2 ]" 2
49 1 39 ALA O 1 42 LEU N 3.000 2.300 3.500 3.237 2.880 3.580 0.080 1 0 "[ . 1 . 2 ]" 2
50 1 39 ALA O 1 42 LEU H 2.000 . 2.500 2.274 1.924 2.606 0.106 1 0 "[ . 1 . 2 ]" 2
stop_
save_
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