NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
371546 |
1cmr   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cmr
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 25
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 100.794
_Distance_constraint_stats_list.Viol_max 0.236
_Distance_constraint_stats_list.Viol_rms 0.0345
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.0651
_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 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 8 TRP 0.518 0.066 2 0 "[ . 1 . ]"
1 9 SER 1.679 0.236 15 0 "[ . 1 . ]"
1 10 VAL 0.001 0.001 11 0 "[ . 1 . ]"
1 11 CYS 0.372 0.066 2 0 "[ . 1 . ]"
1 12 GLN 1.679 0.236 15 0 "[ . 1 . ]"
1 13 ARG 0.023 0.018 1 0 "[ . 1 . ]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 17 THR 0.943 0.236 15 0 "[ . 1 . ]"
1 18 SER 0.364 0.063 15 0 "[ . 1 . ]"
1 19 LYS 0.508 0.147 5 0 "[ . 1 . ]"
1 21 TRP 0.167 0.043 4 0 "[ . 1 . ]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 23 ASP 0.753 0.169 4 0 "[ . 1 . ]"
1 24 HIS 3.413 0.169 4 0 "[ . 1 . ]"
1 25 ARG 2.162 0.153 5 0 "[ . 1 . ]"
1 26 GLY 0.340 0.147 5 0 "[ . 1 . ]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 28 ILE 1.499 0.169 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 8 TRP HH2 1 9 SER H 2.670 . 3.330 2.273 1.999 2.545 0.001 11 0 "[ . 1 . ]" 1
2 1 8 TRP HA 1 9 SER H 2.930 2.200 3.660 2.592 2.134 3.058 0.066 2 0 "[ . 1 . ]" 1
3 1 9 SER H 1 9 SER QB 2.200 . 2.750 2.636 2.399 2.781 0.031 17 0 "[ . 1 . ]" 1
4 1 9 SER H 1 10 VAL HA 3.450 2.590 4.310 3.962 3.830 4.148 . 0 0 "[ . 1 . ]" 1
5 1 8 TRP HH2 1 9 SER QB 3.450 . 4.310 3.973 3.889 4.049 . 0 0 "[ . 1 . ]" 1
6 1 9 SER H 1 9 SER HA 2.500 . 3.130 2.428 2.047 2.792 . 0 0 "[ . 1 . ]" 1
7 1 9 SER HA 1 12 GLN QB 2.860 . 3.580 2.689 1.983 3.816 0.236 15 0 "[ . 1 . ]" 1
8 1 9 SER H 1 11 CYS H 2.670 . 3.330 2.185 1.977 2.410 0.023 11 0 "[ . 1 . ]" 1
9 1 9 SER QB 1 11 CYS H 4.340 . 5.430 4.558 4.424 4.742 . 0 0 "[ . 1 . ]" 1
10 1 8 TRP HA 1 11 CYS H 2.720 2.040 3.400 2.947 2.901 2.956 . 0 0 "[ . 1 . ]" 1
11 1 9 SER H 1 18 SER HA 4.510 3.380 5.630 5.373 3.646 5.693 0.063 15 0 "[ . 1 . ]" 1
12 1 9 SER QB 1 13 ARG H 2.750 . 3.440 3.291 3.094 3.458 0.018 1 0 "[ . 1 . ]" 1
13 1 15 HIS HB2 1 16 ASN H 2.790 . 3.480 2.191 1.877 3.175 . 0 0 "[ . 1 . ]" 1
14 1 14 LEU HA 1 16 ASN H 4.880 3.660 6.100 5.064 4.291 5.590 . 0 0 "[ . 1 . ]" 1
15 1 18 SER QB 1 19 LYS H 2.390 . 2.990 2.193 1.767 2.751 0.023 18 0 "[ . 1 . ]" 1
16 1 19 LYS H 1 19 LYS QB 2.000 . 2.500 2.338 2.088 2.647 0.147 5 0 "[ . 1 . ]" 1
17 1 2 THR HB 1 3 THR H 2.630 . 3.290 2.812 2.632 2.901 . 0 0 "[ . 1 . ]" 1
18 1 7 CYS QB 1 21 TRP HA 3.240 . 4.050 2.828 2.628 2.983 . 0 0 "[ . 1 . ]" 1
19 1 8 TRP HD1 1 19 LYS QB 4.470 . 5.590 4.425 3.298 5.077 . 0 0 "[ . 1 . ]" 1
20 1 8 TRP HD1 1 19 LYS QE 4.250 . 5.310 4.536 3.123 5.353 0.043 4 0 "[ . 1 . ]" 1
21 1 23 ASP H 1 24 HIS HA 4.620 3.460 5.780 4.656 4.088 4.976 . 0 0 "[ . 1 . ]" 1
22 1 23 ASP H 1 24 HIS H 2.830 2.120 3.540 2.966 2.094 3.709 0.169 4 0 "[ . 1 . ]" 1
23 1 24 HIS H 1 24 HIS HA 2.030 . 2.540 2.498 2.040 2.611 0.071 8 0 "[ . 1 . ]" 1
24 1 24 HIS HA 1 25 ARG H 2.070 . 2.590 2.696 2.654 2.743 0.153 5 0 "[ . 1 . ]" 1
25 1 23 ASP HB2 1 24 HIS H 2.740 2.050 3.430 2.752 2.216 3.398 . 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 244
_Distance_constraint_stats_list.Viol_count 455
_Distance_constraint_stats_list.Viol_total 525.108
_Distance_constraint_stats_list.Viol_max 0.230
_Distance_constraint_stats_list.Viol_rms 0.0263
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0641
_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 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 2 THR 1.347 0.230 4 0 "[ . 1 . ]"
1 3 THR 0.294 0.067 1 0 "[ . 1 . ]"
1 4 SER 3.214 0.146 16 0 "[ . 1 . ]"
1 5 LYS 0.640 0.142 2 0 "[ . 1 . ]"
1 6 GLU 0.197 0.142 2 0 "[ . 1 . ]"
1 7 CYS 0.207 0.041 16 0 "[ . 1 . ]"
1 8 TRP 3.734 0.179 11 0 "[ . 1 . ]"
1 9 SER 0.701 0.101 5 0 "[ . 1 . ]"
1 10 VAL 5.024 0.229 5 0 "[ . 1 . ]"
1 11 CYS 4.228 0.229 5 0 "[ . 1 . ]"
1 12 GLN 1.909 0.227 8 0 "[ . 1 . ]"
1 13 ARG 1.046 0.080 16 0 "[ . 1 . ]"
1 14 LEU 0.376 0.080 16 0 "[ . 1 . ]"
1 15 HIS 0.850 0.102 6 0 "[ . 1 . ]"
1 16 ASN 1.703 0.227 8 0 "[ . 1 . ]"
1 17 THR 3.023 0.175 2 0 "[ . 1 . ]"
1 18 SER 2.852 0.196 7 0 "[ . 1 . ]"
1 19 LYS 1.518 0.196 7 0 "[ . 1 . ]"
1 20 GLY 0.868 0.085 10 0 "[ . 1 . ]"
1 21 TRP 2.786 0.174 10 0 "[ . 1 . ]"
1 22 CYS 1.132 0.146 2 0 "[ . 1 . ]"
1 23 ASP 0.971 0.085 18 0 "[ . 1 . ]"
1 24 HIS 0.753 0.075 9 0 "[ . 1 . ]"
1 25 ARG 1.016 0.111 10 0 "[ . 1 . ]"
1 26 GLY 1.159 0.085 18 0 "[ . 1 . ]"
1 27 CYS 1.215 0.146 2 0 "[ . 1 . ]"
1 28 ILE 1.270 0.099 15 0 "[ . 1 . ]"
1 29 CYS 1.412 0.102 6 0 "[ . 1 . ]"
1 30 GLU 1.405 0.226 15 0 "[ . 1 . ]"
1 31 SER 2.440 0.226 15 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 1 CYS HA 1 1 CYS QB 2.360 . 2.950 2.190 2.170 2.209 . 0 0 "[ . 1 . ]" 2
2 1 2 THR HA 1 2 THR HB 2.190 . 2.730 2.495 2.419 2.574 . 0 0 "[ . 1 . ]" 2
3 1 2 THR H 1 2 THR HB 2.680 2.010 3.350 3.420 3.306 3.580 0.230 4 0 "[ . 1 . ]" 2
4 1 2 THR H 1 2 THR MG 3.300 . 4.130 2.629 2.393 3.128 . 0 0 "[ . 1 . ]" 2
5 1 3 THR HA 1 3 THR HB 2.390 . 2.980 2.579 2.522 3.046 0.066 13 0 "[ . 1 . ]" 2
6 1 3 THR HA 1 3 THR MG 2.970 . 3.710 2.265 2.197 2.378 . 0 0 "[ . 1 . ]" 2
7 1 3 THR H 1 3 THR MG 3.300 . 4.120 3.186 2.916 3.695 . 0 0 "[ . 1 . ]" 2
8 1 4 SER H 1 4 SER HA 2.190 . 2.740 2.788 2.715 2.823 0.083 9 0 "[ . 1 . ]" 2
9 1 4 SER H 1 4 SER QB 3.370 . 4.210 2.568 2.078 3.075 . 0 0 "[ . 1 . ]" 2
10 1 5 LYS HA 1 5 LYS QB 2.540 . 3.170 2.301 2.140 2.389 . 0 0 "[ . 1 . ]" 2
11 1 5 LYS HA 1 5 LYS QG 2.890 . 3.610 2.704 2.374 3.342 . 0 0 "[ . 1 . ]" 2
12 1 5 LYS H 1 5 LYS HA 2.540 . 3.170 2.858 2.773 2.897 . 0 0 "[ . 1 . ]" 2
13 1 5 LYS H 1 5 LYS QB 2.600 . 3.250 2.444 2.098 2.714 . 0 0 "[ . 1 . ]" 2
14 1 5 LYS H 1 5 LYS QG 3.870 . 4.830 2.574 1.838 4.008 . 0 0 "[ . 1 . ]" 2
15 1 5 LYS H 1 5 LYS QD 4.810 . 6.020 3.903 2.014 4.580 . 0 0 "[ . 1 . ]" 2
16 1 6 GLU HA 1 6 GLU QB 2.440 . 3.050 2.424 2.384 2.478 . 0 0 "[ . 1 . ]" 2
17 1 6 GLU HA 1 6 GLU QG 2.900 . 3.630 2.752 2.350 3.116 . 0 0 "[ . 1 . ]" 2
18 1 6 GLU H 1 6 GLU HA 2.850 2.140 3.570 2.934 2.907 2.956 . 0 0 "[ . 1 . ]" 2
19 1 6 GLU H 1 6 GLU QB 2.570 . 3.210 2.418 2.287 2.602 . 0 0 "[ . 1 . ]" 2
20 1 6 GLU H 1 6 GLU QG 4.770 . 5.960 3.714 2.586 4.267 . 0 0 "[ . 1 . ]" 2
21 1 7 CYS H 1 7 CYS QB 3.670 . 4.580 2.541 2.413 2.699 . 0 0 "[ . 1 . ]" 2
22 1 8 TRP HA 1 8 TRP QB 2.670 . 3.330 2.375 2.302 2.448 . 0 0 "[ . 1 . ]" 2
23 1 8 TRP HA 1 8 TRP HD1 2.790 2.090 3.480 2.704 2.504 2.955 . 0 0 "[ . 1 . ]" 2
24 1 8 TRP HA 1 8 TRP HE1 4.110 3.090 5.140 5.039 4.878 5.195 0.055 6 0 "[ . 1 . ]" 2
25 1 8 TRP HA 1 8 TRP HE3 3.810 2.860 4.770 4.868 4.772 4.949 0.179 11 0 "[ . 1 . ]" 2
26 1 8 TRP QB 1 8 TRP HE3 2.940 . 3.680 2.336 2.242 2.377 . 0 0 "[ . 1 . ]" 2
27 1 8 TRP H 1 8 TRP HA 2.760 2.070 3.450 2.940 2.910 2.971 . 0 0 "[ . 1 . ]" 2
28 1 8 TRP H 1 8 TRP QB 2.570 . 3.210 2.469 2.305 2.629 . 0 0 "[ . 1 . ]" 2
29 1 8 TRP H 1 8 TRP HD1 3.170 2.380 3.970 3.344 3.037 3.857 . 0 0 "[ . 1 . ]" 2
30 1 9 SER HA 1 9 SER QB 2.610 . 3.260 2.328 2.141 2.436 . 0 0 "[ . 1 . ]" 2
31 1 10 VAL HA 1 10 VAL HB 2.610 . 3.270 2.497 2.397 2.617 . 0 0 "[ . 1 . ]" 2
32 1 10 VAL HA 1 10 VAL QG 2.930 . 3.660 2.190 2.107 2.279 . 0 0 "[ . 1 . ]" 2
33 1 10 VAL H 1 10 VAL HA 2.820 2.120 3.530 2.935 2.907 2.949 . 0 0 "[ . 1 . ]" 2
34 1 10 VAL H 1 10 VAL HB 2.590 . 3.240 2.914 2.646 3.117 . 0 0 "[ . 1 . ]" 2
35 1 11 CYS H 1 11 CYS HB2 2.280 . 2.850 2.494 2.381 2.596 . 0 0 "[ . 1 . ]" 2
36 1 11 CYS HA 1 11 CYS HB2 2.620 . 3.270 3.064 3.053 3.074 . 0 0 "[ . 1 . ]" 2
37 1 13 ARG HA 1 13 ARG QB 2.520 . 3.150 2.397 2.375 2.446 . 0 0 "[ . 1 . ]" 2
38 1 13 ARG HA 1 13 ARG QG 2.940 . 3.680 2.530 2.326 3.099 . 0 0 "[ . 1 . ]" 2
39 1 13 ARG QB 1 13 ARG QD 3.180 . 3.980 2.306 2.163 2.957 . 0 0 "[ . 1 . ]" 2
40 1 13 ARG H 1 13 ARG HA 2.730 2.050 3.410 2.888 2.793 2.946 . 0 0 "[ . 1 . ]" 2
41 1 13 ARG H 1 13 ARG QB 2.630 . 3.280 2.247 2.057 2.438 . 0 0 "[ . 1 . ]" 2
42 1 13 ARG H 1 13 ARG QG 3.770 . 4.710 3.765 2.353 4.140 . 0 0 "[ . 1 . ]" 2
43 1 14 LEU HA 1 14 LEU QD 3.850 . 4.810 2.232 2.110 2.555 . 0 0 "[ . 1 . ]" 2
44 1 14 LEU H 1 14 LEU HA 2.710 2.030 3.380 2.933 2.909 2.955 . 0 0 "[ . 1 . ]" 2
45 1 14 LEU H 1 14 LEU QB 3.320 . 4.150 2.381 2.171 2.532 . 0 0 "[ . 1 . ]" 2
46 1 15 HIS H 1 15 HIS HB2 2.640 . 3.300 2.621 2.412 2.750 . 0 0 "[ . 1 . ]" 2
47 1 15 HIS HA 1 15 HIS HB2 2.810 2.110 3.510 3.055 3.048 3.065 . 0 0 "[ . 1 . ]" 2
48 1 16 ASN H 1 16 ASN HA 2.880 2.160 3.600 2.693 2.114 2.899 0.046 11 0 "[ . 1 . ]" 2
49 1 17 THR HA 1 17 THR MG 3.560 . 4.450 2.267 2.229 2.340 . 0 0 "[ . 1 . ]" 2
50 1 17 THR HA 1 17 THR HB 2.280 . 2.850 2.471 2.293 2.535 . 0 0 "[ . 1 . ]" 2
51 1 17 THR H 1 17 THR HA 3.300 2.470 4.120 2.934 2.921 2.960 . 0 0 "[ . 1 . ]" 2
52 1 18 SER H 1 18 SER HA 3.290 2.460 4.110 2.866 2.679 2.968 . 0 0 "[ . 1 . ]" 2
53 1 18 SER H 1 18 SER QB 2.770 . 3.460 2.780 2.339 3.122 . 0 0 "[ . 1 . ]" 2
54 1 19 LYS HA 1 19 LYS QD 3.620 . 4.530 3.254 2.116 4.154 . 0 0 "[ . 1 . ]" 2
55 1 20 GLY H 1 20 GLY HA2 3.360 2.520 4.200 2.893 2.794 2.974 . 0 0 "[ . 1 . ]" 2
56 1 21 TRP HA 1 21 TRP HB2 2.410 . 3.010 2.501 2.452 2.526 . 0 0 "[ . 1 . ]" 2
57 1 21 TRP HB2 1 21 TRP HD1 3.090 2.320 3.870 2.749 2.730 2.790 . 0 0 "[ . 1 . ]" 2
58 1 21 TRP H 1 21 TRP HA 3.130 2.350 3.910 2.861 2.831 2.912 . 0 0 "[ . 1 . ]" 2
59 1 21 TRP H 1 21 TRP HB2 2.980 2.240 3.730 3.877 3.848 3.904 0.174 10 0 "[ . 1 . ]" 2
60 1 21 TRP H 1 21 TRP HD1 3.670 2.750 4.580 4.266 4.133 4.380 . 0 0 "[ . 1 . ]" 2
61 1 22 CYS HA 1 22 CYS QB 2.600 . 3.250 2.438 2.389 2.528 . 0 0 "[ . 1 . ]" 2
62 1 22 CYS H 1 22 CYS QB 2.510 . 3.130 2.314 2.234 2.514 . 0 0 "[ . 1 . ]" 2
63 1 23 ASP H 1 23 ASP HB2 2.530 . 3.160 2.266 2.215 2.333 . 0 0 "[ . 1 . ]" 2
64 1 24 HIS HA 1 24 HIS HB2 2.610 . 3.260 3.075 3.039 3.097 . 0 0 "[ . 1 . ]" 2
65 1 24 HIS HB2 1 24 HIS HD2 3.740 2.800 4.670 3.491 2.769 4.006 0.031 5 0 "[ . 1 . ]" 2
66 1 24 HIS H 1 24 HIS HB2 2.900 2.180 3.630 2.916 2.454 3.705 0.075 9 0 "[ . 1 . ]" 2
67 1 25 ARG HA 1 25 ARG QB 2.520 . 3.160 2.307 2.149 2.391 . 0 0 "[ . 1 . ]" 2
68 1 25 ARG QB 1 25 ARG QD 3.060 . 3.820 2.436 2.193 2.967 . 0 0 "[ . 1 . ]" 2
69 1 25 ARG QB 1 25 ARG HE 4.260 . 5.330 3.087 2.147 4.449 . 0 0 "[ . 1 . ]" 2
70 1 25 ARG H 1 25 ARG QB 2.570 . 3.210 2.529 2.389 2.943 . 0 0 "[ . 1 . ]" 2
71 1 25 ARG H 1 25 ARG HG2 2.850 2.130 3.570 2.819 2.093 3.681 0.111 10 0 "[ . 1 . ]" 2
72 1 26 GLY H 1 26 GLY HA2 2.730 2.040 3.420 2.689 2.535 2.799 . 0 0 "[ . 1 . ]" 2
73 1 27 CYS HA 1 27 CYS HB2 2.790 2.090 3.490 3.077 3.062 3.108 . 0 0 "[ . 1 . ]" 2
74 1 27 CYS H 1 27 CYS HA 2.860 2.150 3.580 2.912 2.888 2.952 . 0 0 "[ . 1 . ]" 2
75 1 27 CYS H 1 27 CYS HB2 2.200 . 2.750 2.351 2.273 2.505 . 0 0 "[ . 1 . ]" 2
76 1 28 ILE HA 1 28 ILE HB 2.470 . 3.090 3.077 3.066 3.086 . 0 0 "[ . 1 . ]" 2
77 1 28 ILE HA 1 28 ILE QG 2.600 . 3.250 2.934 2.913 2.956 . 0 0 "[ . 1 . ]" 2
78 1 28 ILE HA 1 28 ILE MD 3.220 . 4.030 2.241 2.177 2.349 . 0 0 "[ . 1 . ]" 2
79 1 28 ILE H 1 28 ILE HB 3.370 2.530 4.210 2.459 2.431 2.524 0.099 15 0 "[ . 1 . ]" 2
80 1 28 ILE H 1 28 ILE QG 2.450 . 3.060 2.612 2.190 2.748 . 0 0 "[ . 1 . ]" 2
81 1 28 ILE H 1 28 ILE MG 3.540 . 4.420 3.758 3.747 3.767 . 0 0 "[ . 1 . ]" 2
82 1 28 ILE H 1 28 ILE MD 3.910 . 4.890 3.850 3.550 3.958 . 0 0 "[ . 1 . ]" 2
83 1 29 CYS HA 1 29 CYS HB2 2.730 2.050 3.410 3.088 3.059 3.106 . 0 0 "[ . 1 . ]" 2
84 1 29 CYS H 1 29 CYS HA 2.700 2.030 3.380 2.942 2.933 2.948 . 0 0 "[ . 1 . ]" 2
85 1 30 GLU HA 1 30 GLU HB2 2.660 . 3.320 3.075 3.050 3.087 . 0 0 "[ . 1 . ]" 2
86 1 30 GLU HA 1 30 GLU QG 3.110 . 3.890 3.060 2.517 3.132 . 0 0 "[ . 1 . ]" 2
87 1 30 GLU H 1 30 GLU HA 2.830 2.120 3.540 2.951 2.927 2.959 . 0 0 "[ . 1 . ]" 2
88 1 30 GLU H 1 30 GLU HB2 2.560 . 3.190 2.556 2.329 2.662 . 0 0 "[ . 1 . ]" 2
89 1 30 GLU H 1 30 GLU QG 3.520 . 4.400 2.860 2.680 3.824 . 0 0 "[ . 1 . ]" 2
90 1 31 SER H 1 31 SER HA 2.880 2.160 3.600 2.831 2.193 2.958 . 0 0 "[ . 1 . ]" 2
91 1 31 SER H 1 31 SER QB 2.910 . 3.640 2.516 2.285 3.302 . 0 0 "[ . 1 . ]" 2
92 1 1 CYS QB 1 2 THR H 2.700 . 3.380 2.355 2.084 2.834 . 0 0 "[ . 1 . ]" 2
93 1 2 THR H 1 3 THR H 2.010 . 2.510 1.743 1.479 2.218 0.031 10 0 "[ . 1 . ]" 2
94 1 3 THR HB 1 4 SER H 2.500 . 3.120 2.326 1.803 3.140 0.067 1 0 "[ . 1 . ]" 2
95 1 3 THR MG 1 4 SER H 3.960 . 4.950 3.542 2.779 3.949 . 0 0 "[ . 1 . ]" 2
96 1 4 SER H 1 5 LYS QB 4.600 . 5.750 4.433 3.488 5.073 . 0 0 "[ . 1 . ]" 2
97 1 4 SER H 1 5 LYS H 2.580 . 3.220 2.432 1.828 2.979 0.102 13 0 "[ . 1 . ]" 2
98 1 5 LYS HA 1 6 GLU H 4.050 3.040 5.070 3.224 2.898 3.434 0.142 2 0 "[ . 1 . ]" 2
99 1 5 LYS QB 1 6 GLU H 3.620 . 4.520 3.729 3.276 4.064 . 0 0 "[ . 1 . ]" 2
100 1 5 LYS H 1 6 GLU H 2.760 2.070 3.450 2.750 2.432 3.275 . 0 0 "[ . 1 . ]" 2
101 1 6 GLU HA 1 7 CYS H 3.310 2.480 4.140 3.316 3.085 3.503 . 0 0 "[ . 1 . ]" 2
102 1 6 GLU QB 1 7 CYS H 3.360 . 4.200 3.442 2.991 3.766 . 0 0 "[ . 1 . ]" 2
103 1 6 GLU H 1 7 CYS H 2.600 . 3.250 2.095 1.927 2.607 0.023 3 0 "[ . 1 . ]" 2
104 1 7 CYS QB 1 8 TRP H 3.380 . 4.230 3.716 3.627 3.835 . 0 0 "[ . 1 . ]" 2
105 1 7 CYS H 1 8 TRP H 2.700 2.020 3.370 2.258 2.011 2.545 0.009 2 0 "[ . 1 . ]" 2
106 1 8 TRP QB 1 9 SER H 2.670 . 3.340 3.028 2.994 3.076 . 0 0 "[ . 1 . ]" 2
107 1 8 TRP HE3 1 9 SER QB 4.970 . 6.210 5.527 5.107 5.659 . 0 0 "[ . 1 . ]" 2
108 1 17 THR H 1 17 THR HB 3.690 2.770 4.620 3.759 3.608 3.855 . 0 0 "[ . 1 . ]" 2
109 1 9 SER HA 1 10 VAL H 3.530 2.650 4.420 2.615 2.549 2.712 0.101 5 0 "[ . 1 . ]" 2
110 1 10 VAL HA 1 11 CYS H 3.370 2.530 4.210 3.522 3.489 3.545 . 0 0 "[ . 1 . ]" 2
111 1 10 VAL HB 1 11 CYS H 2.770 2.080 3.460 3.661 3.621 3.689 0.229 5 0 "[ . 1 . ]" 2
112 1 10 VAL QG 1 11 CYS H 3.950 . 4.940 1.957 1.818 2.162 . 0 0 "[ . 1 . ]" 2
113 1 10 VAL H 1 11 CYS H 2.620 . 3.280 1.968 1.880 2.185 0.090 10 0 "[ . 1 . ]" 2
114 1 12 GLN QG 1 13 ARG H 3.440 . 4.310 3.794 3.364 4.110 . 0 0 "[ . 1 . ]" 2
115 1 12 GLN H 1 13 ARG H 2.710 2.030 3.390 2.025 1.959 2.192 0.071 14 0 "[ . 1 . ]" 2
116 1 12 GLN H 1 13 ARG QB 4.090 . 5.110 3.701 3.456 4.031 . 0 0 "[ . 1 . ]" 2
117 1 13 ARG HA 1 14 LEU H 2.970 2.230 3.710 3.517 3.373 3.605 . 0 0 "[ . 1 . ]" 2
118 1 13 ARG QB 1 14 LEU H 3.050 . 3.820 3.032 2.625 3.445 . 0 0 "[ . 1 . ]" 2
119 1 13 ARG H 1 14 LEU H 2.700 2.030 3.380 2.261 1.950 2.561 0.080 16 0 "[ . 1 . ]" 2
120 1 14 LEU QB 1 15 HIS H 3.030 . 3.790 2.459 2.273 2.686 . 0 0 "[ . 1 . ]" 2
121 1 14 LEU QB 1 15 HIS HE1 4.840 . 6.050 3.847 3.301 4.945 . 0 0 "[ . 1 . ]" 2
122 1 14 LEU QD 1 15 HIS HD2 4.920 . 6.150 4.059 3.143 4.574 . 0 0 "[ . 1 . ]" 2
123 1 16 ASN QB 1 17 THR H 3.910 . 4.880 3.485 2.295 4.080 . 0 0 "[ . 1 . ]" 2
124 1 16 ASN H 1 17 THR H 3.110 2.330 3.880 2.426 2.288 3.186 0.042 6 0 "[ . 1 . ]" 2
125 1 17 THR HA 1 18 SER H 2.260 . 2.830 2.439 2.040 2.921 0.091 10 0 "[ . 1 . ]" 2
126 1 17 THR HB 1 18 SER H 2.540 . 3.180 2.680 1.986 3.314 0.134 8 0 "[ . 1 . ]" 2
127 1 17 THR H 1 18 SER H 3.330 2.500 4.170 4.208 4.092 4.289 0.119 3 0 "[ . 1 . ]" 2
128 1 18 SER HA 1 19 LYS H 2.590 . 3.240 2.776 2.083 3.436 0.196 7 0 "[ . 1 . ]" 2
129 1 19 LYS HA 1 20 GLY H 2.070 . 2.590 2.400 2.121 2.675 0.085 10 0 "[ . 1 . ]" 2
130 1 20 GLY HA3 1 21 TRP H 3.220 2.420 4.030 2.828 2.613 3.341 . 0 0 "[ . 1 . ]" 2
131 1 20 GLY HA2 1 21 TRP H 2.680 2.010 3.350 2.420 2.183 2.586 . 0 0 "[ . 1 . ]" 2
132 1 21 TRP HA 1 22 CYS H 2.400 . 2.990 2.502 2.433 2.600 . 0 0 "[ . 1 . ]" 2
133 1 21 TRP HD1 1 22 CYS H 4.330 3.250 5.410 3.660 3.406 3.988 . 0 0 "[ . 1 . ]" 2
134 1 22 CYS QB 1 23 ASP H 3.820 . 4.770 3.845 3.096 4.016 . 0 0 "[ . 1 . ]" 2
135 1 22 CYS HA 1 23 ASP H 2.820 . 3.520 2.225 2.140 2.292 . 0 0 "[ . 1 . ]" 2
136 1 24 HIS H 1 25 ARG H 2.540 . 3.180 2.256 1.836 2.925 0.064 17 0 "[ . 1 . ]" 2
137 1 25 ARG QB 1 26 GLY H 4.030 . 5.030 3.134 2.361 3.878 . 0 0 "[ . 1 . ]" 2
138 1 25 ARG QD 1 26 GLY H 4.610 . 5.770 4.708 2.634 5.217 . 0 0 "[ . 1 . ]" 2
139 1 25 ARG H 1 26 GLY H 2.570 . 3.220 2.273 1.868 2.654 0.052 9 0 "[ . 1 . ]" 2
140 1 26 GLY HA3 1 27 CYS H 2.240 . 2.810 2.306 2.236 2.440 . 0 0 "[ . 1 . ]" 2
141 1 26 GLY HA2 1 27 CYS H 2.470 . 3.090 2.875 2.814 2.914 . 0 0 "[ . 1 . ]" 2
142 1 27 CYS HA 1 28 ILE H 2.050 . 2.560 2.235 2.093 2.363 . 0 0 "[ . 1 . ]" 2
143 1 27 CYS HB2 1 28 ILE H 3.600 2.700 4.510 3.917 3.734 4.290 . 0 0 "[ . 1 . ]" 2
144 1 28 ILE HA 1 29 CYS H 1.940 . 2.430 2.325 2.216 2.386 . 0 0 "[ . 1 . ]" 2
145 1 10 VAL QG 1 29 CYS HA 4.040 . 5.050 3.806 3.766 3.922 . 0 0 "[ . 1 . ]" 2
146 1 28 ILE MG 1 29 CYS HA 4.620 . 5.770 3.870 3.749 4.245 . 0 0 "[ . 1 . ]" 2
147 1 28 ILE MG 1 29 CYS H 2.900 . 3.620 2.663 2.483 3.104 . 0 0 "[ . 1 . ]" 2
148 1 28 ILE MD 1 29 CYS H 4.050 . 5.070 3.941 3.791 4.151 . 0 0 "[ . 1 . ]" 2
149 1 29 CYS HA 1 30 GLU H 2.280 . 2.850 2.183 2.101 2.261 . 0 0 "[ . 1 . ]" 2
150 1 30 GLU HA 1 31 SER H 2.240 . 2.800 2.568 2.266 2.974 0.174 9 0 "[ . 1 . ]" 2
151 1 30 GLU HB2 1 31 SER H 3.060 2.300 3.830 3.532 2.614 4.056 0.226 15 0 "[ . 1 . ]" 2
152 1 1 CYS HA 1 6 GLU QB 3.800 . 4.750 3.017 2.299 4.282 . 0 0 "[ . 1 . ]" 2
153 1 1 CYS QB 1 3 THR H 3.100 . 3.870 3.090 2.709 3.454 . 0 0 "[ . 1 . ]" 2
154 1 1 CYS QB 1 6 GLU QB 3.720 . 4.660 2.338 2.112 2.814 . 0 0 "[ . 1 . ]" 2
155 1 1 CYS QB 1 22 CYS QB 3.630 . 4.530 2.650 2.350 3.220 . 0 0 "[ . 1 . ]" 2
156 1 2 THR H 1 6 GLU QB 3.570 . 4.470 2.967 2.168 4.080 . 0 0 "[ . 1 . ]" 2
157 1 3 THR HB 1 5 LYS H 2.770 2.080 3.460 2.868 2.456 3.522 0.062 1 0 "[ . 1 . ]" 2
158 1 3 THR H 1 6 GLU QB 3.460 . 4.320 3.082 2.194 3.882 . 0 0 "[ . 1 . ]" 2
159 1 4 SER HA 1 8 TRP HE1 3.530 2.650 4.420 4.521 4.446 4.566 0.146 16 0 "[ . 1 . ]" 2
160 1 4 SER HA 1 21 TRP HA 2.630 . 3.280 2.205 2.069 2.736 . 0 0 "[ . 1 . ]" 2
161 1 4 SER HA 1 22 CYS H 2.340 . 2.930 2.457 1.962 2.756 . 0 0 "[ . 1 . ]" 2
162 1 4 SER HA 1 7 CYS QB 3.950 . 4.940 3.518 2.878 4.089 . 0 0 "[ . 1 . ]" 2
163 1 7 CYS HA 1 10 VAL HB 2.340 . 2.930 2.605 2.251 2.952 0.022 17 0 "[ . 1 . ]" 2
164 1 7 CYS HA 1 10 VAL QG 3.340 . 4.180 2.383 2.107 3.008 . 0 0 "[ . 1 . ]" 2
165 1 4 SER QB 1 8 TRP HE1 3.430 . 4.290 3.177 2.589 3.829 . 0 0 "[ . 1 . ]" 2
166 1 4 SER H 1 22 CYS QB 3.460 . 4.330 3.853 3.655 3.935 . 0 0 "[ . 1 . ]" 2
167 1 5 LYS HA 1 8 TRP HE1 3.440 2.580 4.300 3.439 3.087 4.114 . 0 0 "[ . 1 . ]" 2
168 1 8 TRP HZ2 1 19 LYS QE 4.430 . 5.530 3.948 2.472 4.950 . 0 0 "[ . 1 . ]" 2
169 1 5 LYS QB 1 8 TRP HE1 4.610 . 5.760 4.708 3.756 5.141 . 0 0 "[ . 1 . ]" 2
170 1 5 LYS QB 1 8 TRP HE3 4.360 . 5.460 4.126 3.297 4.883 . 0 0 "[ . 1 . ]" 2
171 1 5 LYS QB 1 8 TRP HZ3 4.440 . 5.550 4.276 3.031 4.988 . 0 0 "[ . 1 . ]" 2
172 1 5 LYS QG 1 8 TRP HE3 4.870 . 6.090 4.436 2.935 5.455 . 0 0 "[ . 1 . ]" 2
173 1 7 CYS QB 1 20 GLY HA2 3.230 . 4.040 3.671 3.611 3.704 . 0 0 "[ . 1 . ]" 2
174 1 7 CYS QB 1 21 TRP H 3.550 . 4.440 3.044 2.891 3.332 . 0 0 "[ . 1 . ]" 2
175 1 7 CYS QB 1 28 ILE H 4.820 . 6.030 3.083 2.704 3.615 . 0 0 "[ . 1 . ]" 2
176 1 8 TRP HE1 1 21 TRP HA 4.370 3.280 5.470 4.066 3.818 4.331 . 0 0 "[ . 1 . ]" 2
177 1 9 SER HA 1 11 CYS H 4.740 3.550 5.920 4.262 3.952 4.452 . 0 0 "[ . 1 . ]" 2
178 1 10 VAL H 1 13 ARG QB 3.890 . 4.870 4.072 3.724 4.424 . 0 0 "[ . 1 . ]" 2
179 1 10 VAL HA 1 13 ARG QB 3.100 . 3.870 3.266 2.900 3.498 . 0 0 "[ . 1 . ]" 2
180 1 10 VAL HA 1 13 ARG H 3.400 2.550 4.250 4.139 3.932 4.290 0.040 9 0 "[ . 1 . ]" 2
181 1 10 VAL QG 1 27 CYS HB2 4.160 . 5.200 2.676 2.236 2.984 . 0 0 "[ . 1 . ]" 2
182 1 10 VAL QG 1 27 CYS H 4.810 . 6.010 4.316 4.085 4.496 . 0 0 "[ . 1 . ]" 2
183 1 11 CYS HA 1 13 ARG H 3.890 2.920 4.870 3.732 3.159 4.384 . 0 0 "[ . 1 . ]" 2
184 1 11 CYS HA 1 14 LEU QB 3.220 . 4.030 2.353 2.024 2.872 . 0 0 "[ . 1 . ]" 2
185 1 11 CYS HA 1 14 LEU QD 4.160 . 5.210 3.135 2.241 3.831 . 0 0 "[ . 1 . ]" 2
186 1 11 CYS HA 1 15 HIS HD2 3.360 2.520 4.200 3.189 2.478 3.961 0.042 10 0 "[ . 1 . ]" 2
187 1 11 CYS HA 1 15 HIS H 2.870 2.150 3.580 2.945 2.384 3.599 0.019 15 0 "[ . 1 . ]" 2
188 1 12 GLN HA 1 16 ASN HA 2.760 2.070 3.450 3.486 2.725 3.677 0.227 8 0 "[ . 1 . ]" 2
189 1 12 GLN QG 1 18 SER HA 3.310 . 4.140 3.723 2.037 4.087 . 0 0 "[ . 1 . ]" 2
190 1 12 GLN QB 1 18 SER HA 3.420 . 4.280 3.623 2.506 4.043 . 0 0 "[ . 1 . ]" 2
191 1 15 HIS HD2 1 29 CYS HB2 4.010 3.010 5.010 5.054 5.012 5.112 0.102 6 0 "[ . 1 . ]" 2
192 1 18 SER QB 1 30 GLU H 4.510 . 5.640 4.439 2.872 5.099 . 0 0 "[ . 1 . ]" 2
193 1 19 LYS QB 1 21 TRP HZ3 4.610 . 5.760 4.092 2.230 4.849 . 0 0 "[ . 1 . ]" 2
194 1 19 LYS QB 1 30 GLU H 3.820 . 4.770 4.226 3.909 4.313 . 0 0 "[ . 1 . ]" 2
195 1 20 GLY HA3 1 29 CYS HA 3.830 2.880 4.790 3.786 3.460 4.314 . 0 0 "[ . 1 . ]" 2
196 1 20 GLY HA2 1 29 CYS HA 2.800 2.100 3.500 3.509 3.227 3.571 0.071 8 0 "[ . 1 . ]" 2
197 1 20 GLY HA2 1 30 GLU H 3.760 2.820 4.690 3.557 3.172 4.295 . 0 0 "[ . 1 . ]" 2
198 1 17 THR H 1 31 SER HA 4.050 3.040 5.060 5.059 4.575 5.235 0.175 2 0 "[ . 1 . ]" 2
199 1 21 TRP HD1 1 23 ASP HB2 4.420 3.320 5.530 4.727 4.346 5.094 . 0 0 "[ . 1 . ]" 2
200 1 21 TRP HD1 1 28 ILE HB 3.430 2.570 4.290 3.985 3.773 4.156 . 0 0 "[ . 1 . ]" 2
201 1 21 TRP HD1 1 28 ILE QG 4.870 . 6.090 2.899 2.796 3.042 . 0 0 "[ . 1 . ]" 2
202 1 21 TRP HE1 1 28 ILE HB 3.710 2.780 4.640 3.943 3.286 4.172 . 0 0 "[ . 1 . ]" 2
203 1 21 TRP HE1 1 28 ILE QG 3.630 . 4.540 2.408 2.274 2.508 . 0 0 "[ . 1 . ]" 2
204 1 21 TRP HZ2 1 28 ILE MG 3.150 . 3.940 2.721 2.387 2.874 . 0 0 "[ . 1 . ]" 2
205 1 21 TRP HZ2 1 28 ILE MD 4.090 . 5.120 4.295 4.283 4.316 . 0 0 "[ . 1 . ]" 2
206 1 21 TRP HZ3 1 30 GLU HB2 3.550 2.660 4.440 4.072 3.201 4.491 0.051 15 0 "[ . 1 . ]" 2
207 1 21 TRP HZ3 1 30 GLU QG 4.600 . 5.750 2.692 2.275 3.757 . 0 0 "[ . 1 . ]" 2
208 1 21 TRP HH2 1 28 ILE MG 3.750 . 4.690 3.671 3.373 3.902 . 0 0 "[ . 1 . ]" 2
209 1 21 TRP HH2 1 30 GLU HB2 4.300 3.230 5.380 4.804 3.207 5.403 0.023 10 0 "[ . 1 . ]" 2
210 1 21 TRP H 1 28 ILE QG 3.490 . 4.370 3.624 3.415 3.942 . 0 0 "[ . 1 . ]" 2
211 1 21 TRP H 1 28 ILE MG 4.100 . 5.120 3.599 3.397 4.209 . 0 0 "[ . 1 . ]" 2
212 1 21 TRP H 1 28 ILE H 2.450 . 3.070 2.813 2.516 2.999 . 0 0 "[ . 1 . ]" 2
213 1 21 TRP H 1 29 CYS HA 4.510 3.380 5.640 5.104 4.886 5.231 . 0 0 "[ . 1 . ]" 2
214 1 22 CYS HA 1 27 CYS HA 2.140 . 2.670 2.726 2.598 2.816 0.146 2 0 "[ . 1 . ]" 2
215 1 23 ASP HB2 1 25 ARG H 3.800 2.850 4.750 3.416 3.135 3.701 . 0 0 "[ . 1 . ]" 2
216 1 23 ASP HB2 1 26 GLY H 4.760 3.570 5.950 3.625 3.491 3.930 0.079 18 0 "[ . 1 . ]" 2
217 1 23 ASP H 1 26 GLY HA3 4.760 3.570 5.950 5.469 5.349 5.561 . 0 0 "[ . 1 . ]" 2
218 1 23 ASP H 1 26 GLY HA2 4.680 3.510 5.850 5.082 4.930 5.435 . 0 0 "[ . 1 . ]" 2
219 1 23 ASP H 1 26 GLY H 2.760 2.070 3.450 3.488 3.425 3.535 0.085 18 0 "[ . 1 . ]" 2
220 1 23 ASP H 1 27 CYS HA 3.260 2.440 4.070 3.743 3.415 4.075 0.005 2 0 "[ . 1 . ]" 2
221 1 23 ASP H 1 28 ILE HB 4.810 3.600 6.010 5.420 5.099 5.734 . 0 0 "[ . 1 . ]" 2
222 1 23 ASP H 1 28 ILE QG 3.820 . 4.770 3.336 3.131 3.509 . 0 0 "[ . 1 . ]" 2
223 1 23 ASP H 1 28 ILE MD 4.120 . 5.150 4.313 4.298 4.325 . 0 0 "[ . 1 . ]" 2
224 1 4 SER HA 1 21 TRP HB2 3.200 2.400 4.000 3.584 2.981 3.764 . 0 0 "[ . 1 . ]" 2
225 1 23 ASP HB2 1 28 ILE QG 2.870 . 3.590 3.176 2.702 3.292 . 0 0 "[ . 1 . ]" 2
226 1 28 ILE MG 1 30 GLU QG 4.220 . 5.280 2.406 2.024 3.939 . 0 0 "[ . 1 . ]" 2
227 1 28 ILE MG 1 30 GLU H 3.750 . 4.680 3.924 3.906 3.950 . 0 0 "[ . 1 . ]" 2
228 1 23 ASP HB2 1 28 ILE MD 3.260 . 4.080 3.073 2.817 3.224 . 0 0 "[ . 1 . ]" 2
229 1 10 VAL H 1 10 VAL QG 3.920 . 4.900 2.290 1.998 2.545 . 0 0 "[ . 1 . ]" 2
230 1 21 TRP HE1 1 28 ILE MD 3.290 . 4.110 3.454 3.430 3.476 . 0 0 "[ . 1 . ]" 2
231 1 21 TRP HZ2 1 28 ILE QG 4.170 . 5.220 4.186 4.083 4.300 . 0 0 "[ . 1 . ]" 2
232 1 14 LEU QB 1 15 HIS HD2 3.290 . 4.110 3.531 2.533 3.696 . 0 0 "[ . 1 . ]" 2
233 1 15 HIS HB2 1 15 HIS HD2 2.930 2.200 3.670 2.736 2.693 2.803 . 0 0 "[ . 1 . ]" 2
234 1 4 SER HA 1 22 CYS QB 2.520 . 3.150 2.876 2.832 2.934 . 0 0 "[ . 1 . ]" 2
235 1 16 ASN QB 1 17 THR MG 3.670 . 4.580 3.314 2.892 3.554 . 0 0 "[ . 1 . ]" 2
236 1 1 CYS SG 1 22 CYS SG 2.100 . 2.100 2.026 2.017 2.035 . 0 0 "[ . 1 . ]" 2
237 1 1 CYS SG 1 22 CYS CB 3.100 3.000 3.100 3.042 3.019 3.070 . 0 0 "[ . 1 . ]" 2
238 1 1 CYS CB 1 22 CYS SG 3.100 3.000 3.100 3.052 3.013 3.068 . 0 0 "[ . 1 . ]" 2
239 1 7 CYS SG 1 27 CYS SG 2.100 . 2.100 2.030 2.016 2.035 . 0 0 "[ . 1 . ]" 2
240 1 7 CYS SG 1 27 CYS CB 3.100 3.000 3.100 3.006 2.959 3.028 0.041 16 0 "[ . 1 . ]" 2
241 1 7 CYS CB 1 27 CYS SG 3.100 3.000 3.100 3.046 3.009 3.082 . 0 0 "[ . 1 . ]" 2
242 1 11 CYS SG 1 29 CYS SG 2.100 . 2.100 2.026 2.021 2.030 . 0 0 "[ . 1 . ]" 2
243 1 11 CYS SG 1 29 CYS CB 3.100 3.000 3.100 3.027 2.996 3.070 0.004 10 0 "[ . 1 . ]" 2
244 1 11 CYS CB 1 29 CYS SG 3.100 3.000 3.100 3.009 2.985 3.070 0.015 8 0 "[ . 1 . ]" 2
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