NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
433461 |
2juu   |
15454 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2juu
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 51
_Distance_constraint_stats_list.Viol_count 275
_Distance_constraint_stats_list.Viol_total 10115.996
_Distance_constraint_stats_list.Viol_max 18.314
_Distance_constraint_stats_list.Viol_rms 3.2887
_Distance_constraint_stats_list.Viol_average_all_restraints 0.8816
_Distance_constraint_stats_list.Viol_average_violations_only 2.4524
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 472.225 18.314 9 15 [******-*+******]
1 2 ILE 141.386 9.962 4 15 [***+*-*********]
1 4 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 8 THR 0.000 0.000 . 0 "[ . 1 .]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 .]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 .]"
2 3 ASN 0.265 0.074 1 0 "[ . 1 .]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 .]"
2 5 HIS 0.265 0.074 1 0 "[ . 1 .]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 7 CYS 2.140 0.229 12 0 "[ . 1 .]"
2 8 GLY 13.920 0.828 14 15 [**-**********+*]
2 9 SER 1.937 0.143 12 0 "[ . 1 .]"
2 10 ASP 2.578 0.229 12 0 "[ . 1 .]"
2 11 LEU 6.823 0.469 7 0 "[ . 1 .]"
2 12 VAL 31.141 0.882 5 15 [**-*+**********]
2 13 GLU 7.212 0.697 7 3 "[ . + 1 - *]"
2 14 ALA 7.039 0.610 7 4 "[ - + 1 * *]"
2 15 LEU 8.851 0.469 7 0 "[ . 1 .]"
2 16 TYR 19.672 0.882 5 15 [**-*+**********]
2 17 LEU 6.965 0.697 7 3 "[ . + 1 - *]"
2 18 VAL 6.600 0.610 7 4 "[ - + 1 * *]"
2 19 CYS 2.486 0.315 15 0 "[ . 1 .]"
2 20 GLY 256.721 18.314 9 15 [******-*+******]
2 21 GLU 219.187 15.474 4 15 [***+**-********]
2 22 ARG 141.386 9.962 4 15 [***+*-*********]
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 2 1 PHE CA 2 3 ASN CA . 4.700 7.200 6.717 5.685 7.173 . 0 0 "[ . 1 .]" 1
2 2 2 VAL CA 2 4 GLN CA . 4.700 7.200 6.194 5.687 6.897 . 0 0 "[ . 1 .]" 1
3 2 3 ASN CA 2 5 HIS CA . 4.700 7.200 7.193 7.113 7.274 0.074 1 0 "[ . 1 .]" 1
4 2 4 GLN CA 2 6 LEU CA . 4.700 7.200 6.656 6.539 6.750 . 0 0 "[ . 1 .]" 1
5 2 5 HIS CA 2 7 CYS CA . 4.700 7.200 6.959 6.829 7.039 . 0 0 "[ . 1 .]" 1
6 2 6 LEU CA 2 8 GLY CA . 4.700 7.200 6.848 6.749 6.948 . 0 0 "[ . 1 .]" 1
7 2 7 CYS CA 2 9 SER CA . 4.700 7.200 5.667 5.483 5.819 . 0 0 "[ . 1 .]" 1
8 2 8 GLY CA 2 10 ASP CA . 4.700 7.200 5.838 5.809 5.899 . 0 0 "[ . 1 .]" 1
9 2 9 SER CA 2 11 LEU CA . 4.700 7.200 5.172 5.137 5.207 . 0 0 "[ . 1 .]" 1
10 2 10 ASP CA 2 12 VAL CA . 4.700 7.200 5.715 5.664 5.759 . 0 0 "[ . 1 .]" 1
11 2 11 LEU CA 2 13 GLU CA . 4.700 7.200 5.218 5.104 5.308 . 0 0 "[ . 1 .]" 1
12 2 12 VAL CA 2 14 ALA CA . 4.700 7.200 5.188 5.066 5.262 . 0 0 "[ . 1 .]" 1
13 2 13 GLU CA 2 15 LEU CA . 4.700 7.200 5.312 5.251 5.403 . 0 0 "[ . 1 .]" 1
14 2 14 ALA CA 2 16 TYR CA . 4.700 7.200 5.045 4.981 5.108 . 0 0 "[ . 1 .]" 1
15 2 15 LEU CA 2 17 LEU CA . 4.700 7.200 5.735 5.494 5.928 . 0 0 "[ . 1 .]" 1
16 2 16 TYR CA 2 18 VAL CA . 4.700 7.200 5.556 5.401 5.757 . 0 0 "[ . 1 .]" 1
17 2 17 LEU CA 2 19 CYS CA . 4.700 7.200 5.559 5.369 5.677 . 0 0 "[ . 1 .]" 1
18 2 18 VAL CA 2 20 GLY CA . 4.700 7.200 6.164 6.056 6.328 . 0 0 "[ . 1 .]" 1
19 2 19 CYS CA 2 21 GLU CA . 4.700 7.200 6.192 5.523 6.755 . 0 0 "[ . 1 .]" 1
20 2 20 GLY CA 2 22 ARG CA . 4.700 7.200 5.340 5.161 5.608 . 0 0 "[ . 1 .]" 1
21 1 1 GLY CA 2 21 GLU CA . 4.700 7.200 21.812 20.648 22.674 15.474 4 15 [***+**-********] 1
22 1 2 ILE CA 2 22 ARG CA . 4.700 7.200 16.626 16.277 17.162 9.962 4 15 [***+*-*********] 1
23 1 2 ILE CA 1 4 GLU CA . 4.700 7.200 5.336 5.186 5.582 . 0 0 "[ . 1 .]" 1
24 1 4 GLU CA 1 6 CYS CA . 4.700 7.200 5.147 5.041 5.280 . 0 0 "[ . 1 .]" 1
25 1 5 GLN CA 1 7 CYS CA . 4.700 7.200 5.978 5.818 6.101 . 0 0 "[ . 1 .]" 1
26 1 6 CYS CA 1 8 THR CA . 4.700 7.200 5.604 5.326 5.932 . 0 0 "[ . 1 .]" 1
27 2 7 CYS O 2 10 ASP H . 2.300 2.600 2.743 2.696 2.829 0.229 12 0 "[ . 1 .]" 1
28 2 7 CYS O 2 10 ASP N . 2.700 3.300 3.054 2.885 3.169 . 0 0 "[ . 1 .]" 1
29 2 8 GLY O 2 11 LEU H . 2.300 2.600 2.309 2.171 2.498 0.129 3 0 "[ . 1 .]" 1
30 2 8 GLY O 2 11 LEU N . 2.700 3.300 2.868 2.780 3.022 . 0 0 "[ . 1 .]" 1
31 2 9 SER O 2 12 VAL H . 2.300 2.600 2.705 2.653 2.743 0.143 12 0 "[ . 1 .]" 1
32 2 9 SER O 2 12 VAL N . 2.700 3.300 3.301 3.244 3.326 0.026 6 0 "[ . 1 .]" 1
33 2 8 GLY O 2 12 VAL H . 2.300 2.600 1.564 1.472 1.654 0.828 14 15 [**-**********+*] 1
34 2 8 GLY O 2 12 VAL N . 2.700 3.300 2.539 2.449 2.618 0.251 14 0 "[ . 1 .]" 1
35 2 9 SER O 2 13 GLU H . 2.300 2.600 2.395 2.288 2.534 0.012 15 0 "[ . 1 .]" 1
36 2 9 SER O 2 13 GLU N . 2.700 3.300 3.271 3.179 3.367 0.067 4 0 "[ . 1 .]" 1
37 2 10 ASP O 2 14 ALA H . 2.300 2.600 2.340 2.180 2.424 0.120 13 0 "[ . 1 .]" 1
38 2 10 ASP O 2 14 ALA N . 2.700 3.300 3.258 3.113 3.332 0.032 8 0 "[ . 1 .]" 1
39 2 11 LEU O 2 15 LEU H . 2.300 2.600 1.876 1.831 1.936 0.469 7 0 "[ . 1 .]" 1
40 2 11 LEU O 2 15 LEU N . 2.700 3.300 2.850 2.810 2.907 . 0 0 "[ . 1 .]" 1
41 2 12 VAL O 2 16 TYR H . 2.300 2.600 1.575 1.418 1.663 0.882 5 15 [**-*+**********] 1
42 2 12 VAL O 2 16 TYR N . 2.700 3.300 2.359 2.327 2.389 0.373 12 0 "[ . 1 .]" 1
43 2 13 GLU O 2 17 LEU H . 2.300 2.600 1.855 1.603 2.043 0.697 7 3 "[ . + 1 - *]" 1
44 2 13 GLU O 2 17 LEU N . 2.700 3.300 2.801 2.565 2.973 0.135 7 0 "[ . 1 .]" 1
45 2 14 ALA O 2 18 VAL H . 2.300 2.600 1.873 1.690 2.011 0.610 7 4 "[ - + 1 * *]" 1
46 2 14 ALA O 2 18 VAL N . 2.700 3.300 2.820 2.567 2.975 0.133 15 0 "[ . 1 .]" 1
47 2 15 LEU O 2 19 CYS H . 2.300 2.600 2.141 1.985 2.371 0.315 15 0 "[ . 1 .]" 1
48 2 15 LEU O 2 19 CYS N . 2.700 3.300 3.033 2.903 3.259 . 0 0 "[ . 1 .]" 1
49 1 1 GLY N 2 20 GLY O . 2.700 3.300 20.169 18.324 21.614 18.314 9 15 [******-*+******] 1
50 2 16 TYR O 2 20 GLY H . 2.300 2.600 2.651 2.628 2.670 0.070 9 0 "[ . 1 .]" 1
51 2 16 TYR O 2 20 GLY N . 2.700 3.300 2.506 2.422 2.574 0.278 1 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 224
_Distance_constraint_stats_list.Viol_count 206
_Distance_constraint_stats_list.Viol_total 1260.989
_Distance_constraint_stats_list.Viol_max 2.191
_Distance_constraint_stats_list.Viol_rms 0.1925
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0250
_Distance_constraint_stats_list.Viol_average_violations_only 0.4081
_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 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 2 ILE 30.034 2.191 2 15 [*+**********-**]
1 4 GLU 41.122 2.114 15 15 [**********-***+]
1 5 GLN 12.769 0.883 12 15 [**********-+***]
1 6 CYS 0.207 0.099 8 0 "[ . 1 .]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 .]"
2 2 VAL 0.390 0.157 4 0 "[ . 1 .]"
2 3 ASN 0.923 0.189 5 0 "[ . 1 .]"
2 4 GLN 0.534 0.189 5 0 "[ . 1 .]"
2 5 HIS 0.792 0.099 7 0 "[ . 1 .]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 7 CYS 0.076 0.025 11 0 "[ . 1 .]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 9 SER 1.320 0.102 8 0 "[ . 1 .]"
2 10 ASP 1.320 0.102 8 0 "[ . 1 .]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 12 VAL 0.799 0.123 4 0 "[ . 1 .]"
2 13 GLU 2.454 0.131 11 0 "[ . 1 .]"
2 14 ALA 1.654 0.142 8 0 "[ . 1 .]"
2 15 LEU 31.726 2.114 15 15 [*****-********+]
2 16 TYR 31.602 2.191 2 15 [*+**********-**]
2 17 LEU 0.362 0.128 8 0 "[ . 1 .]"
2 18 VAL 3.178 0.151 9 0 "[ . 1 .]"
2 19 CYS 4.139 0.151 9 0 "[ . 1 .]"
2 20 GLY 0.017 0.017 4 0 "[ . 1 .]"
2 21 GLU 0.269 0.152 9 0 "[ . 1 .]"
2 22 ARG 0.269 0.152 9 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 2 1 PHE HA 2 1 PHE QD 2.700 . 5.400 2.488 1.885 3.677 . 0 0 "[ . 1 .]" 2
2 2 1 PHE HB3 2 1 PHE QD 2.700 . 4.700 2.537 2.302 2.786 . 0 0 "[ . 1 .]" 2
3 2 1 PHE HB2 2 1 PHE QD 2.700 . 4.700 2.435 2.303 2.781 . 0 0 "[ . 1 .]" 2
4 2 2 VAL HA 2 2 VAL MG1 2.700 . 4.400 2.980 2.221 3.197 . 0 0 "[ . 1 .]" 2
5 2 2 VAL HA 2 2 VAL MG2 2.700 . 4.400 2.325 2.044 3.184 . 0 0 "[ . 1 .]" 2
6 2 2 VAL H 2 2 VAL HB 2.700 . 4.400 3.075 2.574 3.793 . 0 0 "[ . 1 .]" 2
7 2 2 VAL HA 2 3 ASN H 3.000 . 3.400 2.651 2.173 3.557 0.157 4 0 "[ . 1 .]" 2
8 2 2 VAL HB 2 3 ASN H 3.000 . 6.000 3.946 2.835 4.336 . 0 0 "[ . 1 .]" 2
9 2 2 VAL MG1 2 3 ASN H 3.000 . 4.400 3.096 1.776 3.757 . 0 0 "[ . 1 .]" 2
10 2 2 VAL MG2 2 3 ASN H 3.000 . 4.400 2.535 1.826 3.774 . 0 0 "[ . 1 .]" 2
11 2 3 ASN H 2 3 ASN HB3 2.700 . 4.400 3.713 2.977 4.094 . 0 0 "[ . 1 .]" 2
12 2 3 ASN H 2 3 ASN HB2 2.700 . 4.400 3.012 2.576 3.708 . 0 0 "[ . 1 .]" 2
13 2 4 GLN HA 2 4 GLN QG 2.700 . 4.400 2.075 1.969 2.208 . 0 0 "[ . 1 .]" 2
14 2 4 GLN H 2 4 GLN HB3 2.700 . 3.400 3.135 2.947 3.310 . 0 0 "[ . 1 .]" 2
15 2 4 GLN H 2 4 GLN HB2 2.700 . 3.400 2.978 2.723 3.218 . 0 0 "[ . 1 .]" 2
16 2 4 GLN H 2 4 GLN QG 2.700 . 6.000 4.228 4.173 4.283 . 0 0 "[ . 1 .]" 2
17 2 4 GLN QG 2 6 LEU HB3 3.000 . 8.000 5.634 5.007 5.909 . 0 0 "[ . 1 .]" 2
18 2 4 GLN QG 2 6 LEU HB2 3.000 . 8.000 6.975 6.366 7.228 . 0 0 "[ . 1 .]" 2
19 2 3 ASN HB3 2 4 GLN H 3.000 . 4.400 3.776 3.106 4.381 . 0 0 "[ . 1 .]" 2
20 2 3 ASN HB2 2 4 GLN H 3.000 . 4.400 4.227 3.651 4.589 0.189 5 0 "[ . 1 .]" 2
21 2 5 HIS HB3 2 6 LEU MD1 3.000 . 7.000 5.717 4.253 5.967 . 0 0 "[ . 1 .]" 2
22 2 5 HIS HB3 2 6 LEU MD2 3.000 . 7.500 5.477 4.760 5.795 . 0 0 "[ . 1 .]" 2
23 2 5 HIS HB2 2 6 LEU MD1 3.000 . 7.000 5.799 4.034 6.003 . 0 0 "[ . 1 .]" 2
24 2 5 HIS HB2 2 6 LEU MD2 3.000 . 7.500 5.079 4.468 5.506 . 0 0 "[ . 1 .]" 2
25 2 4 GLN HB3 2 5 HIS H 3.000 . 3.400 2.710 2.381 3.184 . 0 0 "[ . 1 .]" 2
26 2 4 GLN HB2 2 5 HIS H 3.000 . 5.000 3.753 3.564 4.040 . 0 0 "[ . 1 .]" 2
27 2 4 GLN H 2 5 HIS H 3.000 . 5.000 4.382 4.309 4.458 . 0 0 "[ . 1 .]" 2
28 2 5 HIS H 2 5 HIS HD2 3.000 . 4.400 2.817 1.882 4.414 0.014 3 0 "[ . 1 .]" 2
29 2 5 HIS H 2 5 HIS HB3 2.700 . 3.600 3.651 3.596 3.699 0.099 7 0 "[ . 1 .]" 2
30 2 5 HIS H 2 5 HIS HB2 2.700 . 3.400 3.029 2.946 3.063 . 0 0 "[ . 1 .]" 2
31 2 6 LEU HA 2 11 LEU QD 3.000 . 5.500 4.246 4.178 4.314 . 0 0 "[ . 1 .]" 2
32 2 6 LEU HB3 2 11 LEU QD 3.000 . 5.000 3.983 3.895 4.039 . 0 0 "[ . 1 .]" 2
33 2 6 LEU HB2 2 11 LEU QD 3.000 . 5.000 2.628 2.449 2.739 . 0 0 "[ . 1 .]" 2
34 2 6 LEU HA 2 6 LEU MD1 2.700 . 4.700 3.877 3.015 4.045 . 0 0 "[ . 1 .]" 2
35 2 6 LEU HA 2 6 LEU MD2 2.700 . 4.400 3.599 3.355 3.681 . 0 0 "[ . 1 .]" 2
36 2 6 LEU HA 2 6 LEU HG 2.700 . 4.400 3.419 3.343 4.189 . 0 0 "[ . 1 .]" 2
37 2 6 LEU HB3 2 6 LEU MD1 2.700 . 4.700 2.914 2.354 3.045 . 0 0 "[ . 1 .]" 2
38 2 6 LEU HB2 2 6 LEU MD1 2.700 . 4.700 2.061 1.880 3.199 . 0 0 "[ . 1 .]" 2
39 2 6 LEU HB3 2 6 LEU MD2 2.700 . 4.700 2.081 1.894 3.198 . 0 0 "[ . 1 .]" 2
40 2 6 LEU HB2 2 6 LEU MD2 2.700 . 4.700 2.813 2.387 3.007 . 0 0 "[ . 1 .]" 2
41 2 6 LEU H 2 6 LEU MD2 2.700 . 6.000 3.691 2.244 3.956 . 0 0 "[ . 1 .]" 2
42 2 6 LEU HG 2 11 LEU HA 2.700 . 6.000 4.210 3.225 4.389 . 0 0 "[ . 1 .]" 2
43 2 6 LEU HA 2 10 ASP HB3 3.000 . 6.000 4.054 3.840 4.208 . 0 0 "[ . 1 .]" 2
44 2 6 LEU HA 2 10 ASP HB2 3.000 . 6.000 3.038 2.927 3.165 . 0 0 "[ . 1 .]" 2
45 2 5 HIS HA 2 6 LEU H 3.000 . 3.400 2.286 2.208 2.389 . 0 0 "[ . 1 .]" 2
46 2 5 HIS HB3 2 6 LEU H 2.700 . 6.000 3.264 3.145 3.581 . 0 0 "[ . 1 .]" 2
47 2 5 HIS HB2 2 6 LEU H 2.700 . 6.000 3.516 3.291 3.846 . 0 0 "[ . 1 .]" 2
48 2 7 CYS HA 2 11 LEU HB3 3.000 . 5.500 3.449 3.173 3.722 . 0 0 "[ . 1 .]" 2
49 2 7 CYS HA 2 11 LEU HB2 3.000 . 5.000 2.266 2.003 2.593 . 0 0 "[ . 1 .]" 2
50 2 7 CYS HA 2 11 LEU QD 3.000 . 6.000 2.576 2.322 2.850 . 0 0 "[ . 1 .]" 2
51 2 6 LEU HA 2 7 CYS H 2.700 . 3.400 2.151 2.119 2.167 . 0 0 "[ . 1 .]" 2
52 2 7 CYS H 2 10 ASP HB3 2.700 . 6.000 4.815 4.681 4.856 . 0 0 "[ . 1 .]" 2
53 2 7 CYS H 2 10 ASP HB2 2.700 . 6.000 3.222 3.176 3.256 . 0 0 "[ . 1 .]" 2
54 2 7 CYS H 2 7 CYS HB3 2.700 . 3.700 3.687 3.642 3.725 0.025 11 0 "[ . 1 .]" 2
55 2 7 CYS H 2 7 CYS HB2 2.700 . 3.400 3.111 2.885 3.400 0.000 15 0 "[ . 1 .]" 2
56 2 8 GLY H 2 8 GLY QA 2.700 . 2.700 2.225 2.221 2.233 . 0 0 "[ . 1 .]" 2
57 2 7 CYS HA 2 8 GLY H 3.000 . 3.400 2.231 2.188 2.296 . 0 0 "[ . 1 .]" 2
58 2 7 CYS HB3 2 8 GLY H 3.000 . 5.000 3.133 2.878 3.263 . 0 0 "[ . 1 .]" 2
59 2 7 CYS HB2 2 8 GLY H 3.000 . 4.500 3.349 2.955 3.604 . 0 0 "[ . 1 .]" 2
60 2 7 CYS H 2 8 GLY H 3.000 . 5.000 4.523 4.476 4.586 . 0 0 "[ . 1 .]" 2
61 2 8 GLY H 2 11 LEU QD 3.000 . 6.000 2.253 2.007 2.643 . 0 0 "[ . 1 .]" 2
62 2 8 GLY QA 2 9 SER H 2.700 . 3.700 2.329 2.231 2.492 . 0 0 "[ . 1 .]" 2
63 2 9 SER H 2 10 ASP H 3.000 . 3.400 3.488 3.454 3.502 0.102 8 0 "[ . 1 .]" 2
64 2 9 SER H 2 9 SER QB 2.700 . 4.400 2.340 2.137 2.943 . 0 0 "[ . 1 .]" 2
65 2 10 ASP H 2 10 ASP HB3 2.700 . 3.700 3.643 3.634 3.655 . 0 0 "[ . 1 .]" 2
66 2 10 ASP H 2 10 ASP HB2 2.700 . 2.700 2.530 2.462 2.594 . 0 0 "[ . 1 .]" 2
67 2 6 LEU MD1 2 10 ASP HA 3.000 . 7.000 5.596 5.404 5.899 . 0 0 "[ . 1 .]" 2
68 2 6 LEU MD2 2 10 ASP HA 3.000 . 7.000 5.449 5.192 5.812 . 0 0 "[ . 1 .]" 2
69 2 10 ASP HA 2 13 GLU HB3 3.000 . 4.400 3.370 3.153 3.580 . 0 0 "[ . 1 .]" 2
70 2 10 ASP HA 2 13 GLU HB2 3.000 . 4.400 2.040 1.904 2.171 . 0 0 "[ . 1 .]" 2
71 2 6 LEU HB3 2 10 ASP HB3 3.000 . 5.400 2.940 2.371 3.145 . 0 0 "[ . 1 .]" 2
72 2 6 LEU HB2 2 10 ASP HB3 3.000 . 5.400 3.761 3.386 3.951 . 0 0 "[ . 1 .]" 2
73 2 6 LEU HB3 2 10 ASP HB2 3.000 . 5.600 2.982 2.608 3.128 . 0 0 "[ . 1 .]" 2
74 2 6 LEU HB2 2 10 ASP HB2 3.000 . 5.400 3.444 3.229 3.549 . 0 0 "[ . 1 .]" 2
75 2 8 GLY QA 2 10 ASP H 3.000 . 6.000 4.914 4.834 5.003 . 0 0 "[ . 1 .]" 2
76 2 9 SER QB 2 10 ASP H 3.000 . 4.400 1.948 1.851 2.117 . 0 0 "[ . 1 .]" 2
77 2 10 ASP H 2 11 LEU H 3.000 . 3.400 2.609 2.587 2.626 . 0 0 "[ . 1 .]" 2
78 2 6 LEU MD1 2 10 ASP HB3 2.700 . 6.000 4.825 4.095 4.961 . 0 0 "[ . 1 .]" 2
79 2 6 LEU MD2 2 10 ASP HB3 2.700 . 6.000 3.968 3.662 4.950 . 0 0 "[ . 1 .]" 2
80 2 6 LEU MD1 2 10 ASP HB2 2.700 . 6.000 4.886 4.456 4.972 . 0 0 "[ . 1 .]" 2
81 2 6 LEU MD2 2 10 ASP HB2 2.700 . 6.000 4.479 4.263 4.990 . 0 0 "[ . 1 .]" 2
82 2 6 LEU HB3 2 11 LEU HA 3.000 . 4.400 3.464 3.418 3.505 . 0 0 "[ . 1 .]" 2
83 2 6 LEU HB2 2 11 LEU HA 3.000 . 4.400 1.839 1.793 1.905 . 0 0 "[ . 1 .]" 2
84 2 11 LEU HA 2 14 ALA MB 2.700 . 3.700 2.915 2.747 3.011 . 0 0 "[ . 1 .]" 2
85 2 11 LEU HB3 2 15 LEU QD 3.000 . 5.400 3.487 3.375 3.535 . 0 0 "[ . 1 .]" 2
86 2 11 LEU HB2 2 15 LEU QD 3.000 . 5.400 4.233 4.134 4.297 . 0 0 "[ . 1 .]" 2
87 2 10 ASP HA 2 11 LEU H 3.000 . 3.400 3.364 3.346 3.380 . 0 0 "[ . 1 .]" 2
88 2 10 ASP HB3 2 11 LEU H 2.700 . 6.000 4.188 4.149 4.259 . 0 0 "[ . 1 .]" 2
89 2 10 ASP HB2 2 11 LEU H 2.700 . 6.000 3.346 3.281 3.406 . 0 0 "[ . 1 .]" 2
90 2 11 LEU H 2 12 VAL MG1 3.000 . 6.700 4.298 4.198 4.462 . 0 0 "[ . 1 .]" 2
91 2 11 LEU HA 2 11 LEU QD 2.700 . 3.700 1.919 1.812 1.995 . 0 0 "[ . 1 .]" 2
92 2 11 LEU HA 2 11 LEU HG 2.700 . 4.400 3.067 3.030 3.127 . 0 0 "[ . 1 .]" 2
93 2 11 LEU HB3 2 11 LEU QD 2.700 . 4.700 2.282 2.225 2.366 . 0 0 "[ . 1 .]" 2
94 2 11 LEU HB2 2 11 LEU QD 2.700 . 4.700 2.067 2.017 2.125 . 0 0 "[ . 1 .]" 2
95 2 11 LEU H 2 11 LEU HB3 2.700 . 4.400 2.470 2.454 2.514 . 0 0 "[ . 1 .]" 2
96 2 11 LEU H 2 11 LEU HB2 2.700 . 4.400 2.735 2.681 2.801 . 0 0 "[ . 1 .]" 2
97 2 11 LEU H 2 11 LEU QD 2.700 . 5.400 3.719 3.678 3.746 . 0 0 "[ . 1 .]" 2
98 2 11 LEU HG 2 15 LEU QD 3.000 . 4.400 1.755 1.709 1.782 . 0 0 "[ . 1 .]" 2
99 2 11 LEU QD 2 12 VAL HA 3.000 . 5.200 3.937 3.913 3.968 . 0 0 "[ . 1 .]" 2
100 2 12 VAL HA 2 15 LEU HB3 3.000 . 4.400 3.272 3.175 3.345 . 0 0 "[ . 1 .]" 2
101 2 12 VAL HA 2 15 LEU HB2 3.000 . 4.400 1.684 1.652 1.714 . 0 0 "[ . 1 .]" 2
102 2 12 VAL HA 2 15 LEU QD 2.700 . 3.700 1.705 1.693 1.716 . 0 0 "[ . 1 .]" 2
103 2 12 VAL HA 2 15 LEU HG 3.000 . 3.400 3.438 3.313 3.523 0.123 4 0 "[ . 1 .]" 2
104 2 12 VAL HB 2 15 LEU QD 3.000 . 6.000 3.232 3.148 3.327 . 0 0 "[ . 1 .]" 2
105 2 12 VAL HA 2 12 VAL MG1 2.700 . 3.700 2.353 2.258 2.437 . 0 0 "[ . 1 .]" 2
106 2 12 VAL HA 2 12 VAL MG2 2.700 . 4.400 3.181 3.170 3.192 . 0 0 "[ . 1 .]" 2
107 2 12 VAL H 2 12 VAL HB 2.700 . 3.700 3.677 3.664 3.690 . 0 0 "[ . 1 .]" 2
108 2 12 VAL H 2 12 VAL MG1 2.700 . 4.400 2.259 2.117 2.429 . 0 0 "[ . 1 .]" 2
109 2 12 VAL H 2 12 VAL MG2 2.700 . 4.400 2.094 1.962 2.228 . 0 0 "[ . 1 .]" 2
110 2 12 VAL MG2 2 13 GLU HA 3.000 . 6.000 3.383 3.167 3.523 . 0 0 "[ . 1 .]" 2
111 2 13 GLU HA 2 16 TYR HB3 2.700 . 3.700 3.268 3.181 3.388 . 0 0 "[ . 1 .]" 2
112 2 13 GLU HA 2 16 TYR HB2 2.700 . 3.700 2.006 1.917 2.266 . 0 0 "[ . 1 .]" 2
113 2 10 ASP HA 2 13 GLU H 3.000 . 5.000 3.285 3.182 3.379 . 0 0 "[ . 1 .]" 2
114 2 11 LEU H 2 13 GLU H 3.000 . 5.000 3.563 3.472 3.769 . 0 0 "[ . 1 .]" 2
115 2 12 VAL MG1 2 13 GLU H 3.000 . 6.000 3.962 3.884 4.034 . 0 0 "[ . 1 .]" 2
116 2 12 VAL MG2 2 13 GLU H 3.000 . 4.400 2.229 2.077 2.459 . 0 0 "[ . 1 .]" 2
117 2 12 VAL H 2 13 GLU H 2.700 . 2.700 2.470 2.409 2.545 . 0 0 "[ . 1 .]" 2
118 2 13 GLU H 2 14 ALA MB 3.000 . 6.000 4.156 3.975 4.308 . 0 0 "[ . 1 .]" 2
119 2 13 GLU HA 2 13 GLU QG 2.700 . 4.400 2.095 1.925 2.414 . 0 0 "[ . 1 .]" 2
120 2 13 GLU H 2 13 GLU HB3 2.700 . 3.400 3.347 3.299 3.400 . 0 0 "[ . 1 .]" 2
121 2 13 GLU H 2 13 GLU HB2 2.700 . 2.700 2.088 2.071 2.103 . 0 0 "[ . 1 .]" 2
122 2 13 GLU H 2 13 GLU QG 2.700 . 4.400 3.373 3.186 3.792 . 0 0 "[ . 1 .]" 2
123 2 14 ALA H 2 14 ALA MB 2.700 . 3.700 2.089 2.034 2.232 . 0 0 "[ . 1 .]" 2
124 2 14 ALA HA 2 17 LEU HB3 3.000 . 4.400 3.557 3.123 3.911 . 0 0 "[ . 1 .]" 2
125 2 14 ALA HA 2 17 LEU HB2 3.000 . 4.400 3.460 2.921 3.821 . 0 0 "[ . 1 .]" 2
126 2 14 ALA HA 2 18 VAL MG1 3.000 . 5.000 3.936 3.731 4.076 . 0 0 "[ . 1 .]" 2
127 2 14 ALA HA 2 18 VAL MG2 3.000 . 5.000 3.858 3.736 3.965 . 0 0 "[ . 1 .]" 2
128 2 11 LEU HA 2 14 ALA H 3.000 . 5.000 3.502 3.337 3.604 . 0 0 "[ . 1 .]" 2
129 2 12 VAL MG1 2 14 ALA H 3.000 . 6.700 5.411 5.306 5.503 . 0 0 "[ . 1 .]" 2
130 2 12 VAL MG2 2 14 ALA H 3.000 . 6.000 4.433 4.360 4.522 . 0 0 "[ . 1 .]" 2
131 2 13 GLU H 2 14 ALA H 3.000 . 3.400 2.589 2.448 2.765 . 0 0 "[ . 1 .]" 2
132 2 14 ALA H 2 16 TYR HB3 3.000 . 5.600 5.710 5.664 5.742 0.142 8 0 "[ . 1 .]" 2
133 2 14 ALA H 2 16 TYR HB2 3.000 . 5.000 4.286 4.210 4.416 . 0 0 "[ . 1 .]" 2
134 2 14 ALA MB 2 18 VAL MG1 3.000 . 7.000 3.442 3.003 3.689 . 0 0 "[ . 1 .]" 2
135 2 14 ALA MB 2 18 VAL MG2 3.000 . 7.000 3.308 3.130 3.469 . 0 0 "[ . 1 .]" 2
136 2 13 GLU HB3 2 15 LEU HA 3.000 . 7.400 7.495 7.471 7.531 0.131 11 0 "[ . 1 .]" 2
137 2 13 GLU HB2 2 15 LEU HA 3.000 . 7.700 7.769 7.734 7.792 0.092 7 0 "[ . 1 .]" 2
138 2 15 LEU HA 2 18 VAL MG1 3.000 . 4.800 3.682 3.430 3.832 . 0 0 "[ . 1 .]" 2
139 2 15 LEU HA 2 18 VAL MG2 3.000 . 4.400 1.768 1.714 1.800 . 0 0 "[ . 1 .]" 2
140 2 12 VAL MG1 2 15 LEU HB3 3.000 . 5.400 4.347 4.176 4.483 . 0 0 "[ . 1 .]" 2
141 2 12 VAL MG1 2 15 LEU HB2 3.000 . 5.400 3.491 3.355 3.610 . 0 0 "[ . 1 .]" 2
142 2 12 VAL MG2 2 15 LEU HB3 3.000 . 6.500 5.446 5.377 5.478 . 0 0 "[ . 1 .]" 2
143 2 12 VAL MG2 2 15 LEU HB2 3.000 . 5.400 4.224 4.196 4.253 . 0 0 "[ . 1 .]" 2
144 2 12 VAL HA 2 15 LEU H 3.000 . 5.000 2.838 2.649 2.974 . 0 0 "[ . 1 .]" 2
145 2 14 ALA MB 2 15 LEU H 3.000 . 4.400 2.315 2.189 2.473 . 0 0 "[ . 1 .]" 2
146 2 14 ALA H 2 15 LEU H 3.000 . 3.400 2.672 2.575 2.747 . 0 0 "[ . 1 .]" 2
147 2 15 LEU HA 2 15 LEU QD 2.700 . 3.700 2.575 2.452 2.687 . 0 0 "[ . 1 .]" 2
148 2 15 LEU HA 2 15 LEU HG 2.700 . 4.400 2.395 2.330 2.445 . 0 0 "[ . 1 .]" 2
149 2 15 LEU HB3 2 15 LEU QD 2.700 . 4.400 1.966 1.840 2.041 . 0 0 "[ . 1 .]" 2
150 2 15 LEU HB2 2 15 LEU QD 2.700 . 4.400 2.095 2.063 2.127 . 0 0 "[ . 1 .]" 2
151 2 15 LEU H 2 15 LEU HB3 2.700 . 4.400 3.597 3.579 3.619 . 0 0 "[ . 1 .]" 2
152 2 15 LEU H 2 15 LEU HB2 2.700 . 4.400 2.392 2.337 2.448 . 0 0 "[ . 1 .]" 2
153 2 15 LEU H 2 15 LEU QD 2.700 . 4.700 2.756 2.673 2.888 . 0 0 "[ . 1 .]" 2
154 2 15 LEU H 2 15 LEU HG 2.700 . 4.400 2.584 2.512 2.673 . 0 0 "[ . 1 .]" 2
155 2 11 LEU QD 2 15 LEU HG 2.700 . 5.500 3.235 3.113 3.385 . 0 0 "[ . 1 .]" 2
156 2 16 TYR HA 2 16 TYR QD 2.700 . 4.700 2.415 1.904 2.796 . 0 0 "[ . 1 .]" 2
157 2 15 LEU QD 2 16 TYR HA 3.000 . 6.800 4.977 4.911 5.026 . 0 0 "[ . 1 .]" 2
158 2 12 VAL MG2 2 16 TYR HB3 3.000 . 7.200 5.459 5.265 5.668 . 0 0 "[ . 1 .]" 2
159 2 12 VAL MG2 2 16 TYR HB2 3.000 . 7.000 4.171 3.912 4.377 . 0 0 "[ . 1 .]" 2
160 2 16 TYR H 2 16 TYR HB3 2.700 . 3.700 3.316 3.268 3.361 . 0 0 "[ . 1 .]" 2
161 2 16 TYR H 2 16 TYR HB2 2.700 . 3.700 2.024 1.989 2.041 . 0 0 "[ . 1 .]" 2
162 2 12 VAL MG1 2 16 TYR QD 3.000 . 7.000 4.590 4.280 4.837 . 0 0 "[ . 1 .]" 2
163 2 12 VAL MG2 2 16 TYR QD 3.000 . 6.400 2.665 2.295 3.957 . 0 0 "[ . 1 .]" 2
164 2 16 TYR QD 2 17 LEU HA 3.000 . 6.000 4.987 4.722 5.461 . 0 0 "[ . 1 .]" 2
165 2 12 VAL MG1 2 16 TYR QE 3.000 . 8.000 4.706 4.371 4.978 . 0 0 "[ . 1 .]" 2
166 2 12 VAL MG2 2 16 TYR QE 3.000 . 6.400 2.976 2.691 4.026 . 0 0 "[ . 1 .]" 2
167 2 15 LEU HA 2 16 TYR H 3.000 . 5.000 3.466 3.434 3.488 . 0 0 "[ . 1 .]" 2
168 2 16 TYR H 2 17 LEU H 3.000 . 3.400 2.898 2.774 3.042 . 0 0 "[ . 1 .]" 2
169 2 17 LEU HA 2 17 LEU MD1 2.700 . 4.400 3.290 1.996 3.719 . 0 0 "[ . 1 .]" 2
170 2 17 LEU HA 2 17 LEU MD2 2.700 . 3.700 2.605 1.800 3.042 . 0 0 "[ . 1 .]" 2
171 2 17 LEU HA 2 17 LEU HG 2.700 . 3.400 2.403 1.997 3.528 0.128 8 0 "[ . 1 .]" 2
172 2 17 LEU HB3 2 17 LEU MD1 2.700 . 5.400 2.526 2.195 2.716 . 0 0 "[ . 1 .]" 2
173 2 17 LEU HB2 2 17 LEU MD1 2.700 . 5.400 2.398 2.009 3.198 . 0 0 "[ . 1 .]" 2
174 2 17 LEU HB3 2 17 LEU MD2 2.700 . 5.400 2.359 1.944 3.197 . 0 0 "[ . 1 .]" 2
175 2 17 LEU HB2 2 17 LEU MD2 2.700 . 5.400 2.971 2.219 3.199 . 0 0 "[ . 1 .]" 2
176 2 17 LEU H 2 17 LEU HB3 2.700 . 4.400 3.006 2.924 3.082 . 0 0 "[ . 1 .]" 2
177 2 17 LEU H 2 17 LEU HB2 2.700 . 4.400 2.183 2.122 2.236 . 0 0 "[ . 1 .]" 2
178 2 17 LEU H 2 17 LEU HG 2.700 . 6.000 4.167 3.994 4.577 . 0 0 "[ . 1 .]" 2
179 2 18 VAL HA 2 18 VAL MG1 2.700 . 3.700 2.119 2.014 2.250 . 0 0 "[ . 1 .]" 2
180 2 18 VAL HA 2 18 VAL MG2 2.700 . 4.400 3.151 3.141 3.169 . 0 0 "[ . 1 .]" 2
181 2 15 LEU QD 2 18 VAL HB 3.000 . 6.400 5.107 5.024 5.202 . 0 0 "[ . 1 .]" 2
182 2 15 LEU HA 2 18 VAL H 3.000 . 5.000 3.933 3.848 4.058 . 0 0 "[ . 1 .]" 2
183 2 17 LEU HA 2 18 VAL H 3.000 . 5.000 3.596 3.580 3.608 . 0 0 "[ . 1 .]" 2
184 2 17 LEU HB3 2 18 VAL H 3.000 . 4.400 2.439 2.192 2.658 . 0 0 "[ . 1 .]" 2
185 2 17 LEU HB2 2 18 VAL H 3.000 . 4.400 3.446 3.273 3.591 . 0 0 "[ . 1 .]" 2
186 2 17 LEU H 2 18 VAL H 3.000 . 3.400 2.904 2.799 2.998 . 0 0 "[ . 1 .]" 2
187 2 19 CYS HA 2 22 ARG QB 3.000 . 6.000 3.743 3.322 4.218 . 0 0 "[ . 1 .]" 2
188 2 18 VAL MG1 2 19 CYS HA 3.000 . 6.400 5.398 5.347 5.434 . 0 0 "[ . 1 .]" 2
189 2 18 VAL MG2 2 19 CYS HA 3.000 . 5.400 4.159 4.000 4.213 . 0 0 "[ . 1 .]" 2
190 2 15 LEU HA 2 19 CYS H 3.000 . 5.000 3.619 3.520 3.747 . 0 0 "[ . 1 .]" 2
191 2 15 LEU QD 2 19 CYS H 3.000 . 6.000 4.686 4.637 4.783 . 0 0 "[ . 1 .]" 2
192 2 18 VAL HA 2 19 CYS H 3.000 . 3.400 3.544 3.536 3.551 0.151 9 0 "[ . 1 .]" 2
193 2 18 VAL HB 2 19 CYS H 3.000 . 4.400 2.892 2.687 3.293 . 0 0 "[ . 1 .]" 2
194 2 18 VAL MG1 2 19 CYS H 3.000 . 4.400 3.816 3.764 3.848 . 0 0 "[ . 1 .]" 2
195 2 18 VAL MG2 2 19 CYS H 3.000 . 4.400 1.758 1.729 1.797 . 0 0 "[ . 1 .]" 2
196 2 18 VAL H 2 19 CYS H 2.700 . 3.000 3.068 3.024 3.129 0.129 6 0 "[ . 1 .]" 2
197 2 19 CYS H 2 20 GLY H 2.700 . 2.700 2.518 2.299 2.717 0.017 4 0 "[ . 1 .]" 2
198 2 19 CYS H 2 19 CYS HB3 2.700 . 3.400 3.463 3.432 3.491 0.091 6 0 "[ . 1 .]" 2
199 2 19 CYS H 2 19 CYS HB2 2.700 . 3.400 2.283 2.207 2.347 . 0 0 "[ . 1 .]" 2
200 2 20 GLY H 2 20 GLY QA 2.700 . 2.700 2.281 2.239 2.357 . 0 0 "[ . 1 .]" 2
201 2 20 GLY QA 2 21 GLU H 2.700 . 3.700 2.213 2.136 2.428 . 0 0 "[ . 1 .]" 2
202 2 20 GLY H 2 21 GLU H 3.000 . 5.000 4.333 3.917 4.559 . 0 0 "[ . 1 .]" 2
203 2 21 GLU H 2 22 ARG H 3.000 . 3.400 3.054 2.729 3.552 0.152 9 0 "[ . 1 .]" 2
204 2 21 GLU H 2 21 GLU HB3 2.700 . 4.400 3.148 2.330 3.591 . 0 0 "[ . 1 .]" 2
205 2 21 GLU H 2 21 GLU HB2 2.700 . 4.400 2.308 2.083 3.589 . 0 0 "[ . 1 .]" 2
206 2 21 GLU H 2 21 GLU QG 2.700 . 6.000 3.496 2.615 4.093 . 0 0 "[ . 1 .]" 2
207 2 22 ARG H 2 22 ARG QB 2.700 . 3.700 2.318 2.088 2.812 . 0 0 "[ . 1 .]" 2
208 2 22 ARG H 2 22 ARG QG 2.700 . 4.400 3.156 2.226 4.093 . 0 0 "[ . 1 .]" 2
209 2 20 GLY QA 2 22 ARG H 3.000 . 6.000 3.648 3.268 4.233 . 0 0 "[ . 1 .]" 2
210 1 2 ILE HA 1 2 ILE MD 2.700 . 5.400 3.430 3.223 3.809 . 0 0 "[ . 1 .]" 2
211 1 2 ILE MD 2 12 VAL MG1 3.000 . 6.400 4.705 4.600 4.935 . 0 0 "[ . 1 .]" 2
212 1 2 ILE MD 2 12 VAL MG2 3.000 . 6.700 6.609 6.523 6.787 0.087 3 0 "[ . 1 .]" 2
213 1 2 ILE MD 2 15 LEU HA 3.000 . 7.000 5.835 5.391 6.160 . 0 0 "[ . 1 .]" 2
214 1 2 ILE MD 2 15 LEU QD 2.700 . 5.700 2.456 2.105 2.608 . 0 0 "[ . 1 .]" 2
215 1 2 ILE MD 2 16 TYR HA 3.000 . 7.000 8.996 8.597 9.191 2.191 2 15 [*+**********-**] 2
216 1 1 GLY QA 1 2 ILE H 2.700 . 3.700 2.117 1.955 2.367 . 0 0 "[ . 1 .]" 2
217 1 4 GLU H 1 4 GLU QB 2.700 . 3.400 2.995 2.925 3.044 . 0 0 "[ . 1 .]" 2
218 1 4 GLU QB 2 11 LEU QD 3.000 . 6.500 5.919 5.728 6.052 . 0 0 "[ . 1 .]" 2
219 1 4 GLU QB 2 15 LEU QD 3.000 . 6.500 8.404 8.012 8.614 2.114 15 15 [*****-********+] 2
220 1 4 GLU HA 1 5 GLN H 2.700 . 2.700 3.537 3.492 3.583 0.883 12 15 [**********-+***] 2
221 1 4 GLU QB 1 5 GLN H 3.000 . 5.000 2.848 2.491 3.022 . 0 0 "[ . 1 .]" 2
222 1 5 GLN HA 1 5 GLN QG 2.700 . 3.700 2.191 1.978 2.536 . 0 0 "[ . 1 .]" 2
223 1 5 GLN H 1 5 GLN QG 2.700 . 6.000 3.903 3.739 4.074 . 0 0 "[ . 1 .]" 2
224 1 5 GLN QG 1 6 CYS H 3.000 . 4.400 4.341 4.131 4.499 0.099 8 0 "[ . 1 .]" 2
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