NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
469139 |
1adx   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1adx
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 287
_Distance_constraint_stats_list.Viol_count 434
_Distance_constraint_stats_list.Viol_total 1257.469
_Distance_constraint_stats_list.Viol_max 1.964
_Distance_constraint_stats_list.Viol_rms 0.1212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0224
_Distance_constraint_stats_list.Viol_average_violations_only 0.2070
_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 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 2 MET 0.081 0.064 3 0 "[ . 1 ]"
1 3 PHE 5.720 0.985 7 5 "[ *. + **- ]"
1 4 CYS 4.290 0.877 7 1 "[ . + 1 ]"
1 5 ASN 3.649 0.656 2 2 "[ + .- 1 ]"
1 6 GLN 2.756 0.656 2 2 "[ + .- 1 ]"
1 7 THR 0.306 0.120 2 0 "[ . 1 ]"
1 8 ALA 0.796 0.160 7 0 "[ . 1 ]"
1 9 CYS 5.622 0.798 9 5 "[ * .* *+- ]"
1 10 PRO 8.060 0.798 9 5 "[ * .* *+- ]"
1 11 ALA 23.656 1.964 1 14 [+*******-*****]
1 12 ASP 22.979 1.964 1 14 [+*******-*****]
1 13 CYS 0.651 0.263 5 0 "[ . 1 ]"
1 14 ASP 9.659 0.743 4 4 "[* +. -1 * ]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 16 ASN 3.092 0.774 13 3 "[ *. 1 -+ ]"
1 17 THR 3.518 0.743 4 2 "[ +. -1 ]"
1 18 GLN 0.612 0.284 9 0 "[ . 1 ]"
1 19 ALA 0.007 0.007 10 0 "[ . 1 ]"
1 20 SER 6.378 0.398 13 0 "[ . 1 ]"
1 21 CYS 3.859 0.386 7 0 "[ . 1 ]"
1 22 GLU 10.926 0.940 14 3 "[ . -* +]"
1 23 CYS 14.710 0.961 2 4 "[ + *. *- ]"
1 24 PRO 5.654 0.538 10 2 "[ . +- ]"
1 25 GLU 1.275 0.269 9 0 "[ . 1 ]"
1 26 GLY 0.303 0.269 9 0 "[ . 1 ]"
1 27 TYR 1.322 0.151 2 0 "[ . 1 ]"
1 28 ILE 3.909 0.961 2 2 "[ + -. 1 ]"
1 29 LEU 3.032 0.271 11 0 "[ . 1 ]"
1 30 ASP 1.325 0.271 11 0 "[ . 1 ]"
1 31 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 32 GLY 0.185 0.148 8 0 "[ . 1 ]"
1 33 PHE 0.246 0.148 8 0 "[ . 1 ]"
1 34 ILE 2.584 0.162 4 0 "[ . 1 ]"
1 35 CYS 0.676 0.208 8 0 "[ . 1 ]"
1 36 THR 2.881 0.877 7 1 "[ . + 1 ]"
1 37 ASP 0.126 0.115 3 0 "[ . 1 ]"
1 38 ILE 0.893 0.266 9 0 "[ . 1 ]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN HA 1 2 MET H 4.000 . 4.000 2.749 2.196 3.585 . 0 0 "[ . 1 ]" 1
2 1 2 MET HA 1 3 PHE H 3.000 . 3.000 2.475 2.184 3.064 0.064 3 0 "[ . 1 ]" 1
3 1 2 MET HA 1 3 PHE QD 5.000 . 7.000 4.220 2.873 5.847 . 0 0 "[ . 1 ]" 1
4 1 2 MET QB 1 3 PHE HA 5.000 . 6.000 4.399 3.842 5.045 . 0 0 "[ . 1 ]" 1
5 1 2 MET QB 1 3 PHE QD 5.000 . 8.000 4.488 3.553 5.329 . 0 0 "[ . 1 ]" 1
6 1 2 MET QB 1 4 CYS H 4.000 . 5.000 4.210 3.578 4.530 . 0 0 "[ . 1 ]" 1
7 1 3 PHE H 1 3 PHE HA 3.000 . 3.000 2.837 2.358 2.991 . 0 0 "[ . 1 ]" 1
8 1 3 PHE H 1 3 PHE HB2 3.000 . 3.000 3.354 2.851 3.985 0.985 7 5 "[ *. + **- ]" 1
9 1 3 PHE H 1 3 PHE HB3 4.000 . 4.000 3.449 2.906 3.840 . 0 0 "[ . 1 ]" 1
10 1 3 PHE H 1 3 PHE QD 5.000 . 7.000 2.797 1.892 4.428 . 0 0 "[ . 1 ]" 1
11 1 3 PHE HA 1 3 PHE HB2 3.000 . 3.000 2.809 2.416 3.004 0.004 12 0 "[ . 1 ]" 1
12 1 3 PHE HA 1 3 PHE HB3 3.000 . 3.000 2.388 2.253 3.035 0.035 10 0 "[ . 1 ]" 1
13 1 3 PHE HA 1 3 PHE QD 4.000 . 6.000 3.069 2.029 3.676 . 0 0 "[ . 1 ]" 1
14 1 3 PHE HA 1 3 PHE QE 5.000 . 7.000 5.064 4.285 5.596 . 0 0 "[ . 1 ]" 1
15 1 3 PHE HA 1 4 CYS H 3.000 . 3.000 2.493 2.242 3.024 0.024 12 0 "[ . 1 ]" 1
16 1 3 PHE HA 1 24 PRO QB 4.000 . 4.000 3.984 3.849 4.123 0.123 4 0 "[ . 1 ]" 1
17 1 3 PHE HB2 1 4 CYS H 5.000 . 5.000 4.215 3.924 4.646 . 0 0 "[ . 1 ]" 1
18 1 3 PHE QD 1 4 CYS H 5.000 . 7.000 4.595 2.783 4.998 . 0 0 "[ . 1 ]" 1
19 1 3 PHE QE 1 24 PRO QB 5.000 . 7.000 4.216 2.396 5.461 . 0 0 "[ . 1 ]" 1
20 1 4 CYS H 1 4 CYS HB2 4.000 . 4.000 3.095 2.365 3.878 . 0 0 "[ . 1 ]" 1
21 1 4 CYS H 1 4 CYS HB3 4.000 . 4.000 3.735 3.194 4.088 0.088 7 0 "[ . 1 ]" 1
22 1 4 CYS H 1 19 ALA MB 5.000 . 5.500 4.222 3.587 4.513 . 0 0 "[ . 1 ]" 1
23 1 4 CYS H 1 20 SER HA 3.000 . 3.000 3.106 3.040 3.200 0.200 11 0 "[ . 1 ]" 1
24 1 4 CYS H 1 35 CYS QB 4.000 . 4.000 3.418 2.606 3.959 . 0 0 "[ . 1 ]" 1
25 1 4 CYS HA 1 5 ASN H 3.000 . 3.000 2.553 2.186 3.182 0.182 13 0 "[ . 1 ]" 1
26 1 4 CYS HB3 1 34 ILE MG 4.000 . 4.500 4.173 3.819 4.434 . 0 0 "[ . 1 ]" 1
27 1 4 CYS HB3 1 36 THR HB 4.000 . 4.000 3.991 3.006 4.877 0.877 7 1 "[ . + 1 ]" 1
28 1 4 CYS HB3 1 36 THR MG 5.000 . 5.500 4.621 3.605 5.148 . 0 0 "[ . 1 ]" 1
29 1 5 ASN H 1 5 ASN HA 3.000 . 3.000 2.698 2.332 2.994 . 0 0 "[ . 1 ]" 1
30 1 5 ASN H 1 5 ASN HB2 4.000 . 4.000 2.876 2.101 3.838 . 0 0 "[ . 1 ]" 1
31 1 5 ASN H 1 5 ASN HB3 4.000 . 4.000 3.372 2.488 4.097 0.097 8 0 "[ . 1 ]" 1
32 1 5 ASN H 1 6 GLN H 4.000 . 4.000 3.691 2.506 4.210 0.210 14 0 "[ . 1 ]" 1
33 1 5 ASN HA 1 5 ASN HB2 3.000 . 3.000 2.693 2.417 3.027 0.027 3 0 "[ . 1 ]" 1
34 1 5 ASN HA 1 5 ASN HB3 3.000 . 3.000 2.831 2.267 3.032 0.032 9 0 "[ . 1 ]" 1
35 1 5 ASN HB2 1 5 ASN HD22 4.000 . 4.000 3.785 3.517 4.126 0.126 8 0 "[ . 1 ]" 1
36 1 5 ASN HB2 1 6 GLN H 4.000 . 4.000 3.619 2.170 4.656 0.656 2 2 "[ + .- 1 ]" 1
37 1 6 GLN H 1 6 GLN QG 4.000 . 5.000 3.844 2.048 4.263 . 0 0 "[ . 1 ]" 1
38 1 6 GLN QB 1 7 THR H 5.000 . 6.000 3.151 1.850 4.074 . 0 0 "[ . 1 ]" 1
39 1 6 GLN QB 1 8 ALA H 4.000 . 5.000 3.670 2.480 4.486 . 0 0 "[ . 1 ]" 1
40 1 6 GLN QG 1 7 THR H 4.000 . 5.000 2.757 1.856 4.199 . 0 0 "[ . 1 ]" 1
41 1 6 GLN QG 1 7 THR HB 4.000 . 5.000 3.652 2.766 4.403 . 0 0 "[ . 1 ]" 1
42 1 6 GLN QG 1 7 THR MG 5.000 . 6.500 4.009 1.839 4.873 . 0 0 "[ . 1 ]" 1
43 1 6 GLN QG 1 8 ALA H 4.000 . 5.000 3.859 1.934 4.520 . 0 0 "[ . 1 ]" 1
44 1 7 THR H 1 7 THR HB 4.000 . 4.000 3.299 2.644 4.019 0.019 8 0 "[ . 1 ]" 1
45 1 7 THR H 1 8 ALA H 4.000 . 4.000 3.221 2.563 4.120 0.120 2 0 "[ . 1 ]" 1
46 1 7 THR HA 1 8 ALA H 4.000 . 4.000 3.441 2.963 3.586 . 0 0 "[ . 1 ]" 1
47 1 7 THR HB 1 8 ALA H 4.000 . 4.000 2.981 1.818 4.058 0.058 12 0 "[ . 1 ]" 1
48 1 8 ALA H 1 9 CYS H 5.000 . 5.000 4.147 3.273 4.489 . 0 0 "[ . 1 ]" 1
49 1 8 ALA HA 1 9 CYS H 4.000 . 4.000 2.319 2.115 2.614 . 0 0 "[ . 1 ]" 1
50 1 8 ALA MB 1 9 CYS H 5.000 . 5.500 2.835 2.009 3.660 . 0 0 "[ . 1 ]" 1
51 1 8 ALA MB 1 34 ILE MG 4.000 . 5.000 2.728 1.718 3.274 0.082 11 0 "[ . 1 ]" 1
52 1 8 ALA MB 1 36 THR HA 4.000 . 4.500 3.601 3.019 3.881 . 0 0 "[ . 1 ]" 1
53 1 8 ALA MB 1 36 THR HB 5.000 . 5.500 1.915 1.640 2.629 0.160 7 0 "[ . 1 ]" 1
54 1 8 ALA MB 1 37 ASP H 4.000 . 4.500 3.576 3.419 3.776 . 0 0 "[ . 1 ]" 1
55 1 9 CYS H 1 9 CYS HB2 4.000 . 4.000 3.937 3.610 4.135 0.135 13 0 "[ . 1 ]" 1
56 1 9 CYS H 1 9 CYS HB3 4.000 . 4.000 3.186 2.668 3.507 . 0 0 "[ . 1 ]" 1
57 1 9 CYS H 1 34 ILE MG 5.000 . 5.500 2.727 2.095 4.224 . 0 0 "[ . 1 ]" 1
58 1 9 CYS H 1 35 CYS QB 5.000 . 5.000 4.421 3.996 4.753 . 0 0 "[ . 1 ]" 1
59 1 9 CYS HA 1 9 CYS HB2 3.000 . 3.000 2.400 2.259 2.634 . 0 0 "[ . 1 ]" 1
60 1 9 CYS HA 1 9 CYS HB3 3.000 . 3.000 2.585 2.331 2.907 . 0 0 "[ . 1 ]" 1
61 1 9 CYS HA 1 10 PRO QB 5.000 . 6.000 4.805 4.720 4.864 . 0 0 "[ . 1 ]" 1
62 1 9 CYS HA 1 10 PRO HD2 3.000 . 3.000 2.714 2.390 3.704 0.704 8 2 "[ - . + 1 ]" 1
63 1 9 CYS HA 1 10 PRO HD3 3.000 . 3.000 2.144 2.054 2.228 . 0 0 "[ . 1 ]" 1
64 1 9 CYS HA 1 10 PRO QG 4.000 . 4.000 3.954 3.824 4.032 0.032 3 0 "[ . 1 ]" 1
65 1 9 CYS HA 1 34 ILE MG 5.000 . 5.500 3.230 2.526 4.192 . 0 0 "[ . 1 ]" 1
66 1 9 CYS HB2 1 10 PRO HD2 4.000 . 4.000 2.005 1.764 2.722 0.036 3 0 "[ . 1 ]" 1
67 1 9 CYS HB2 1 10 PRO HD3 4.000 . 4.000 3.000 1.807 3.757 . 0 0 "[ . 1 ]" 1
68 1 9 CYS HB3 1 10 PRO HD2 4.000 . 4.000 3.482 2.809 4.132 0.132 9 0 "[ . 1 ]" 1
69 1 9 CYS HB3 1 10 PRO HD3 4.000 . 4.000 4.077 3.213 4.798 0.798 9 3 "[ .* +- ]" 1
70 1 10 PRO HA 1 11 ALA H 3.000 . 3.000 2.918 2.656 3.253 0.253 4 0 "[ . 1 ]" 1
71 1 10 PRO HA 1 34 ILE MD 4.000 . 4.500 1.714 1.638 1.827 0.162 4 0 "[ . 1 ]" 1
72 1 10 PRO HA 1 34 ILE MG 5.000 . 5.500 2.330 1.721 3.232 0.079 5 0 "[ . 1 ]" 1
73 1 10 PRO HA 1 35 CYS H 4.000 . 4.000 3.727 3.052 4.208 0.208 8 0 "[ . 1 ]" 1
74 1 10 PRO QB 1 11 ALA H 5.000 . 6.000 2.468 1.789 3.711 0.011 6 0 "[ . 1 ]" 1
75 1 10 PRO QB 1 34 ILE HA 5.000 . 6.000 4.089 3.526 4.712 . 0 0 "[ . 1 ]" 1
76 1 10 PRO QB 1 34 ILE MD 5.000 . 6.500 2.300 1.822 2.659 . 0 0 "[ . 1 ]" 1
77 1 10 PRO HD2 1 34 ILE MG 4.000 . 4.500 4.306 4.192 4.611 0.111 5 0 "[ . 1 ]" 1
78 1 10 PRO HD3 1 34 ILE MD 5.000 . 5.500 3.736 2.352 4.919 . 0 0 "[ . 1 ]" 1
79 1 10 PRO QG 1 11 ALA H 4.000 . 4.000 3.978 3.803 4.055 0.055 12 0 "[ . 1 ]" 1
80 1 10 PRO QG 1 34 ILE MD 5.000 . 5.500 3.369 2.675 4.043 . 0 0 "[ . 1 ]" 1
81 1 11 ALA H 1 34 ILE HA 4.000 . 4.000 3.806 3.289 4.083 0.083 11 0 "[ . 1 ]" 1
82 1 11 ALA H 1 34 ILE MD 5.000 . 5.500 3.276 1.809 4.145 . 0 0 "[ . 1 ]" 1
83 1 11 ALA H 1 35 CYS H 5.000 . 5.000 4.199 3.343 4.837 . 0 0 "[ . 1 ]" 1
84 1 11 ALA HA 1 12 ASP H 3.000 . 3.000 2.614 2.228 3.091 0.091 4 0 "[ . 1 ]" 1
85 1 11 ALA HA 1 12 ASP QB 3.000 . 3.000 4.577 4.261 4.964 1.964 1 14 [+*******-*****] 1
86 1 11 ALA HA 1 35 CYS QB 4.000 . 4.000 3.727 3.268 3.954 . 0 0 "[ . 1 ]" 1
87 1 11 ALA MB 1 12 ASP H 4.000 . 4.500 3.382 1.769 3.730 0.031 9 0 "[ . 1 ]" 1
88 1 11 ALA MB 1 21 CYS HB2 5.000 . 5.500 3.115 2.025 4.019 . 0 0 "[ . 1 ]" 1
89 1 11 ALA MB 1 21 CYS HB3 5.000 . 5.500 2.097 1.771 2.794 0.029 14 0 "[ . 1 ]" 1
90 1 11 ALA MB 1 29 LEU MD1 4.000 . 5.000 2.870 1.787 3.353 0.013 11 0 "[ . 1 ]" 1
91 1 11 ALA MB 1 33 PHE HB2 5.000 . 5.500 4.358 3.692 4.986 . 0 0 "[ . 1 ]" 1
92 1 11 ALA MB 1 33 PHE HB3 5.000 . 5.500 3.519 2.751 5.367 . 0 0 "[ . 1 ]" 1
93 1 11 ALA MB 1 33 PHE QD 5.000 . 7.500 3.764 2.191 5.396 . 0 0 "[ . 1 ]" 1
94 1 11 ALA MB 1 35 CYS H 4.000 . 4.500 2.794 2.081 3.625 . 0 0 "[ . 1 ]" 1
95 1 11 ALA MB 1 35 CYS QB 4.000 . 4.500 3.004 2.702 3.437 . 0 0 "[ . 1 ]" 1
96 1 12 ASP H 1 12 ASP HA 3.000 . 3.000 2.863 2.374 2.989 . 0 0 "[ . 1 ]" 1
97 1 12 ASP HA 1 13 CYS H 3.000 . 3.000 2.621 2.186 3.263 0.263 5 0 "[ . 1 ]" 1
98 1 12 ASP QB 1 13 CYS H 5.000 . 5.000 3.792 3.315 4.049 . 0 0 "[ . 1 ]" 1
99 1 13 CYS H 1 13 CYS HB2 4.000 . 4.000 2.934 2.284 3.899 . 0 0 "[ . 1 ]" 1
100 1 13 CYS H 1 13 CYS HB3 4.000 . 4.000 3.667 3.577 3.944 . 0 0 "[ . 1 ]" 1
101 1 13 CYS HA 1 14 ASP H 3.000 . 3.000 2.333 2.169 2.718 . 0 0 "[ . 1 ]" 1
102 1 13 CYS HB3 1 18 GLN HA 4.000 . 4.000 3.464 2.485 3.820 . 0 0 "[ . 1 ]" 1
103 1 14 ASP H 1 14 ASP HB2 3.000 . 3.000 2.345 2.130 3.089 0.089 12 0 "[ . 1 ]" 1
104 1 14 ASP H 1 14 ASP HB3 3.000 . 3.000 3.320 3.021 3.675 0.675 12 3 "[* . -1 + ]" 1
105 1 14 ASP H 1 20 SER QB 5.000 . 6.000 3.732 2.619 5.130 . 0 0 "[ . 1 ]" 1
106 1 14 ASP HA 1 15 PRO QD 3.000 . 4.000 2.003 1.835 2.164 . 0 0 "[ . 1 ]" 1
107 1 14 ASP HA 1 15 PRO QG 4.000 . 5.000 3.963 3.828 4.126 . 0 0 "[ . 1 ]" 1
108 1 14 ASP HB2 1 15 PRO QD 4.000 . 5.000 3.681 3.262 4.155 . 0 0 "[ . 1 ]" 1
109 1 14 ASP HB2 1 17 THR MG 5.000 . 5.500 2.279 1.705 4.009 0.095 1 0 "[ . 1 ]" 1
110 1 14 ASP HB2 1 20 SER QB 5.000 . 6.000 4.705 3.943 5.128 . 0 0 "[ . 1 ]" 1
111 1 14 ASP HB3 1 15 PRO QD 5.000 . 6.000 2.655 1.948 3.300 . 0 0 "[ . 1 ]" 1
112 1 14 ASP HB3 1 17 THR H 4.000 . 4.000 2.732 1.889 3.595 . 0 0 "[ . 1 ]" 1
113 1 14 ASP HB3 1 17 THR HB 4.000 . 4.000 3.953 1.945 4.743 0.743 4 2 "[ +. -1 ]" 1
114 1 14 ASP HB3 1 17 THR MG 5.000 . 5.500 2.381 1.743 4.030 0.057 6 0 "[ . 1 ]" 1
115 1 14 ASP HB3 1 20 SER QB 5.000 . 6.000 6.048 5.524 6.398 0.398 13 0 "[ . 1 ]" 1
116 1 15 PRO HA 1 16 ASN H 4.000 . 4.000 3.506 3.322 3.585 . 0 0 "[ . 1 ]" 1
117 1 15 PRO QD 1 16 ASN H 4.000 . 5.000 2.729 2.638 2.922 . 0 0 "[ . 1 ]" 1
118 1 15 PRO QG 1 16 ASN H 4.000 . 5.000 3.346 2.969 3.913 . 0 0 "[ . 1 ]" 1
119 1 15 PRO QG 1 16 ASN HD22 5.000 . 6.000 4.328 3.121 5.060 . 0 0 "[ . 1 ]" 1
120 1 16 ASN H 1 16 ASN HB2 3.000 . 3.000 2.774 2.242 3.774 0.774 13 3 "[ *. 1 -+ ]" 1
121 1 16 ASN H 1 16 ASN HB3 4.000 . 4.000 3.522 2.671 3.914 . 0 0 "[ . 1 ]" 1
122 1 16 ASN H 1 16 ASN HD21 5.000 . 5.000 3.302 2.052 4.798 . 0 0 "[ . 1 ]" 1
123 1 16 ASN H 1 16 ASN HD22 5.000 . 5.000 4.135 3.191 4.897 . 0 0 "[ . 1 ]" 1
124 1 16 ASN H 1 17 THR H 3.000 . 3.000 2.479 1.894 3.020 0.020 8 0 "[ . 1 ]" 1
125 1 16 ASN H 1 17 THR MG 5.000 . 5.500 3.702 2.539 4.736 . 0 0 "[ . 1 ]" 1
126 1 16 ASN HA 1 16 ASN HB2 3.000 . 3.000 2.904 2.441 3.036 0.036 8 0 "[ . 1 ]" 1
127 1 16 ASN HA 1 16 ASN HB3 3.000 . 3.000 2.514 2.379 2.711 . 0 0 "[ . 1 ]" 1
128 1 16 ASN HB2 1 16 ASN HD22 4.000 . 4.000 3.724 3.519 4.126 0.126 3 0 "[ . 1 ]" 1
129 1 16 ASN HB3 1 16 ASN HD22 4.000 . 4.000 3.890 3.515 4.108 0.108 14 0 "[ . 1 ]" 1
130 1 17 THR H 1 17 THR HA 3.000 . 3.000 2.900 2.777 2.984 . 0 0 "[ . 1 ]" 1
131 1 17 THR H 1 17 THR MG 4.000 . 4.500 2.711 1.852 3.810 . 0 0 "[ . 1 ]" 1
132 1 17 THR H 1 18 GLN H 3.000 . 3.000 2.838 2.144 3.066 0.066 3 0 "[ . 1 ]" 1
133 1 17 THR HA 1 18 GLN H 3.000 . 3.000 2.586 2.320 3.284 0.284 9 0 "[ . 1 ]" 1
134 1 17 THR MG 1 18 GLN H 5.000 . 5.500 3.889 3.564 4.329 . 0 0 "[ . 1 ]" 1
135 1 17 THR MG 1 20 SER QB 5.000 . 6.500 4.066 3.328 4.618 . 0 0 "[ . 1 ]" 1
136 1 18 GLN H 1 18 GLN HA 3.000 . 3.000 2.830 2.388 2.963 . 0 0 "[ . 1 ]" 1
137 1 18 GLN H 1 18 GLN HB2 4.000 . 4.000 2.634 2.108 3.616 . 0 0 "[ . 1 ]" 1
138 1 18 GLN H 1 18 GLN HB3 4.000 . 4.000 3.007 2.454 3.592 . 0 0 "[ . 1 ]" 1
139 1 18 GLN H 1 18 GLN QG 4.000 . 5.000 3.344 1.884 4.178 . 0 0 "[ . 1 ]" 1
140 1 18 GLN HA 1 18 GLN HB2 3.000 . 3.000 2.670 2.400 3.013 0.013 14 0 "[ . 1 ]" 1
141 1 18 GLN HA 1 18 GLN HB3 3.000 . 3.000 2.810 2.337 3.034 0.034 3 0 "[ . 1 ]" 1
142 1 19 ALA H 1 20 SER QB 5.000 . 6.000 4.288 3.275 5.293 . 0 0 "[ . 1 ]" 1
143 1 19 ALA HA 1 20 SER H 4.000 . 4.000 3.102 2.200 3.583 . 0 0 "[ . 1 ]" 1
144 1 19 ALA MB 1 20 SER H 4.000 . 4.500 2.922 1.793 3.623 0.007 10 0 "[ . 1 ]" 1
145 1 19 ALA MB 1 20 SER QB 5.000 . 6.500 4.075 3.201 4.438 . 0 0 "[ . 1 ]" 1
146 1 20 SER H 1 20 SER HA 3.000 . 3.000 2.767 2.332 2.977 . 0 0 "[ . 1 ]" 1
147 1 20 SER HA 1 21 CYS H 3.000 . 3.000 3.046 2.376 3.359 0.359 7 0 "[ . 1 ]" 1
148 1 20 SER QB 1 21 CYS H 4.000 . 5.000 2.666 1.763 3.762 0.037 10 0 "[ . 1 ]" 1
149 1 21 CYS H 1 21 CYS HB2 4.000 . 4.000 3.766 3.196 4.064 0.064 13 0 "[ . 1 ]" 1
150 1 21 CYS H 1 21 CYS HB3 4.000 . 4.000 3.168 2.349 4.024 0.024 2 0 "[ . 1 ]" 1
151 1 21 CYS HA 1 22 GLU H 3.000 . 3.000 2.870 2.438 3.386 0.386 7 0 "[ . 1 ]" 1
152 1 21 CYS HA 1 35 CYS QB 4.000 . 4.000 3.116 2.657 3.860 . 0 0 "[ . 1 ]" 1
153 1 21 CYS HB2 1 29 LEU MD2 5.000 . 5.500 4.917 4.395 5.323 . 0 0 "[ . 1 ]" 1
154 1 21 CYS HB3 1 29 LEU MD1 4.000 . 4.500 3.846 2.955 4.352 . 0 0 "[ . 1 ]" 1
155 1 21 CYS HB3 1 29 LEU MD2 5.000 . 5.500 4.524 4.053 4.949 . 0 0 "[ . 1 ]" 1
156 1 22 GLU H 1 22 GLU HG3 3.000 . 3.000 3.358 2.679 3.940 0.940 14 3 "[ . -* +]" 1
157 1 22 GLU HA 1 22 GLU HG2 4.000 . 4.000 3.009 2.499 3.790 . 0 0 "[ . 1 ]" 1
158 1 22 GLU HA 1 22 GLU HG3 4.000 . 4.000 3.785 3.623 3.854 . 0 0 "[ . 1 ]" 1
159 1 22 GLU HA 1 23 CYS H 3.000 . 3.000 2.962 2.837 3.316 0.316 7 0 "[ . 1 ]" 1
160 1 22 GLU QB 1 23 CYS H 5.000 . 6.000 3.707 2.956 3.986 . 0 0 "[ . 1 ]" 1
161 1 22 GLU HG2 1 23 CYS H 4.000 . 4.000 4.286 3.880 4.453 0.453 2 0 "[ . 1 ]" 1
162 1 23 CYS H 1 23 CYS HB2 3.000 . 3.000 2.605 1.903 3.409 0.409 3 0 "[ . 1 ]" 1
163 1 23 CYS H 1 23 CYS HB3 4.000 . 4.000 3.605 3.052 4.025 0.025 1 0 "[ . 1 ]" 1
164 1 23 CYS H 1 24 PRO QD 5.000 . 5.000 3.996 3.695 4.131 . 0 0 "[ . 1 ]" 1
165 1 23 CYS HA 1 23 CYS HB3 3.000 . 3.000 2.711 2.295 2.991 . 0 0 "[ . 1 ]" 1
166 1 23 CYS HA 1 24 PRO QD 3.000 . 3.000 1.943 1.790 2.315 0.010 4 0 "[ . 1 ]" 1
167 1 23 CYS HA 1 24 PRO HG3 4.000 . 4.000 4.358 4.273 4.538 0.538 10 2 "[ . +- ]" 1
168 1 23 CYS HA 1 27 TYR QB 5.000 . 5.000 3.301 2.836 4.328 . 0 0 "[ . 1 ]" 1
169 1 23 CYS HA 1 35 CYS QB 5.000 . 5.000 3.382 1.981 4.595 . 0 0 "[ . 1 ]" 1
170 1 23 CYS HB2 1 24 PRO QD 4.000 . 4.000 3.606 2.951 3.983 . 0 0 "[ . 1 ]" 1
171 1 23 CYS HB2 1 28 ILE HA 4.000 . 4.000 3.925 2.393 4.961 0.961 2 2 "[ + -. 1 ]" 1
172 1 23 CYS HB3 1 27 TYR QB 3.000 . 3.000 1.821 1.719 2.175 0.081 8 0 "[ . 1 ]" 1
173 1 23 CYS HB3 1 27 TYR QD 4.000 . 6.000 3.568 2.306 3.865 . 0 0 "[ . 1 ]" 1
174 1 24 PRO HA 1 24 PRO QD 4.000 . 4.000 3.195 2.964 3.312 . 0 0 "[ . 1 ]" 1
175 1 24 PRO HA 1 24 PRO HG3 4.000 . 4.000 3.134 3.003 3.367 . 0 0 "[ . 1 ]" 1
176 1 24 PRO HA 1 25 GLU H 3.000 . 3.000 2.503 2.201 3.111 0.111 6 0 "[ . 1 ]" 1
177 1 24 PRO QB 1 25 GLU H 4.000 . 4.000 3.011 1.778 3.931 0.022 6 0 "[ . 1 ]" 1
178 1 24 PRO QB 1 27 TYR HA 4.000 . 4.000 3.665 3.557 3.746 . 0 0 "[ . 1 ]" 1
179 1 24 PRO QB 1 27 TYR QD 4.000 . 6.000 2.423 1.906 2.920 . 0 0 "[ . 1 ]" 1
180 1 24 PRO QD 1 27 TYR QB . . 3.000 1.962 1.732 2.586 0.068 6 0 "[ . 1 ]" 1
181 1 24 PRO QD 1 27 TYR QD 4.000 . 6.000 2.850 2.142 3.543 . 0 0 "[ . 1 ]" 1
182 1 24 PRO QD 1 35 CYS QB 4.000 . 4.000 3.569 2.572 3.947 . 0 0 "[ . 1 ]" 1
183 1 24 PRO HG2 1 27 TYR QD 4.000 . 6.000 2.524 1.824 2.828 . 0 0 "[ . 1 ]" 1
184 1 24 PRO HG3 1 27 TYR QD 5.000 . 7.000 3.874 3.289 4.098 . 0 0 "[ . 1 ]" 1
185 1 25 GLU H 1 25 GLU QB 3.000 . 3.000 2.459 2.090 3.024 0.024 8 0 "[ . 1 ]" 1
186 1 25 GLU HA 1 26 GLY H 3.000 . 3.000 2.432 2.235 3.269 0.269 9 0 "[ . 1 ]" 1
187 1 25 GLU HA 1 27 TYR H 4.000 . 4.000 4.027 3.740 4.151 0.151 2 0 "[ . 1 ]" 1
188 1 25 GLU QB 1 26 GLY H 4.000 . 4.000 3.881 3.335 4.022 0.022 7 0 "[ . 1 ]" 1
189 1 25 GLU QG 1 26 GLY H 5.000 . 6.000 3.970 3.565 4.630 . 0 0 "[ . 1 ]" 1
190 1 25 GLU QG 1 26 GLY HA3 5.000 . 6.000 4.794 3.736 5.963 . 0 0 "[ . 1 ]" 1
191 1 26 GLY H 1 26 GLY HA2 3.000 . 3.000 2.540 2.342 2.968 . 0 0 "[ . 1 ]" 1
192 1 26 GLY H 1 27 TYR H 4.000 . 4.000 2.270 1.877 2.842 . 0 0 "[ . 1 ]" 1
193 1 26 GLY HA2 1 27 TYR H 4.000 . 4.000 3.310 2.996 3.582 . 0 0 "[ . 1 ]" 1
194 1 27 TYR H 1 27 TYR QB 3.000 . 3.000 2.191 2.109 2.391 . 0 0 "[ . 1 ]" 1
195 1 27 TYR H 1 27 TYR QD 4.000 . 6.000 3.513 2.725 3.893 . 0 0 "[ . 1 ]" 1
196 1 27 TYR H 1 28 ILE H 5.000 . 5.000 2.828 2.139 4.590 . 0 0 "[ . 1 ]" 1
197 1 27 TYR HA 1 27 TYR QD 4.000 . 6.000 2.338 1.800 2.932 0.000 1 0 "[ . 1 ]" 1
198 1 27 TYR HA 1 28 ILE H 4.000 . 4.000 3.471 2.782 3.576 . 0 0 "[ . 1 ]" 1
199 1 27 TYR QB 1 28 ILE H 4.000 . 4.000 2.577 2.028 2.980 . 0 0 "[ . 1 ]" 1
200 1 27 TYR QB 1 35 CYS HA 4.000 . 5.000 4.361 3.869 4.472 . 0 0 "[ . 1 ]" 1
201 1 27 TYR QB 1 35 CYS QB 4.000 . 5.000 4.341 3.770 4.591 . 0 0 "[ . 1 ]" 1
202 1 27 TYR QD 1 35 CYS HA 5.000 . 7.000 3.881 3.143 4.599 . 0 0 "[ . 1 ]" 1
203 1 27 TYR QD 1 35 CYS QB 4.000 . 6.000 4.006 3.360 5.198 . 0 0 "[ . 1 ]" 1
204 1 27 TYR QD 1 36 THR HA 4.000 . 6.000 3.341 2.523 3.850 . 0 0 "[ . 1 ]" 1
205 1 27 TYR QD 1 36 THR MG 5.000 . 7.500 4.665 4.164 5.378 . 0 0 "[ . 1 ]" 1
206 1 27 TYR QD 1 37 ASP H 4.000 . 6.000 4.777 4.100 5.462 . 0 0 "[ . 1 ]" 1
207 1 27 TYR QD 1 37 ASP HA 5.000 . 7.000 5.272 4.288 6.257 . 0 0 "[ . 1 ]" 1
208 1 27 TYR QD 1 37 ASP HB2 4.000 . 6.000 3.908 2.549 5.262 . 0 0 "[ . 1 ]" 1
209 1 28 ILE H 1 28 ILE HB 4.000 . 4.000 3.420 2.973 4.011 0.011 3 0 "[ . 1 ]" 1
210 1 28 ILE HA 1 28 ILE HG12 4.000 . 4.000 3.351 2.914 3.904 . 0 0 "[ . 1 ]" 1
211 1 28 ILE HA 1 29 LEU H 3.000 . 3.000 2.227 2.154 2.502 . 0 0 "[ . 1 ]" 1
212 1 28 ILE HG13 1 29 LEU H 4.000 . 4.000 3.497 1.852 4.070 0.070 14 0 "[ . 1 ]" 1
213 1 28 ILE MG 1 29 LEU H 4.000 . 4.500 3.448 2.769 3.889 . 0 0 "[ . 1 ]" 1
214 1 29 LEU H 1 29 LEU HB2 3.000 . 3.000 2.166 2.061 2.641 . 0 0 "[ . 1 ]" 1
215 1 29 LEU H 1 29 LEU HB3 4.000 . 4.000 3.467 3.375 3.668 . 0 0 "[ . 1 ]" 1
216 1 29 LEU H 1 29 LEU HG 3.000 . 3.000 3.034 2.040 3.205 0.205 2 0 "[ . 1 ]" 1
217 1 29 LEU HA 1 29 LEU MD1 4.000 . 4.500 3.703 3.663 3.914 . 0 0 "[ . 1 ]" 1
218 1 29 LEU HA 1 29 LEU MD2 4.000 . 4.500 2.030 1.843 2.439 . 0 0 "[ . 1 ]" 1
219 1 29 LEU HA 1 29 LEU HG 4.000 . 4.000 2.463 2.319 2.855 . 0 0 "[ . 1 ]" 1
220 1 29 LEU HA 1 35 CYS HA 3.000 . 3.000 2.547 1.856 3.044 0.044 11 0 "[ . 1 ]" 1
221 1 29 LEU HB3 1 30 ASP H 4.000 . 4.000 1.929 1.702 2.226 0.098 2 0 "[ . 1 ]" 1
222 1 29 LEU HB3 1 33 PHE HA 4.000 . 4.000 3.001 2.295 3.357 . 0 0 "[ . 1 ]" 1
223 1 29 LEU HB3 1 33 PHE QD 5.000 . 7.000 4.558 3.152 6.334 . 0 0 "[ . 1 ]" 1
224 1 29 LEU MD1 1 30 ASP H 4.000 . 4.500 3.686 3.353 3.883 . 0 0 "[ . 1 ]" 1
225 1 29 LEU MD1 1 33 PHE H 5.000 . 5.500 4.069 3.439 4.495 . 0 0 "[ . 1 ]" 1
226 1 29 LEU MD1 1 33 PHE HA 5.000 . 5.500 2.199 1.934 2.501 . 0 0 "[ . 1 ]" 1
227 1 29 LEU MD1 1 33 PHE HB2 5.000 . 5.500 4.110 2.553 4.520 . 0 0 "[ . 1 ]" 1
228 1 29 LEU MD1 1 33 PHE HB3 4.000 . 4.500 3.431 3.157 3.948 . 0 0 "[ . 1 ]" 1
229 1 29 LEU MD1 1 33 PHE QD 5.000 . 7.500 2.721 1.739 3.592 0.061 13 0 "[ . 1 ]" 1
230 1 29 LEU MD1 1 33 PHE QE 5.000 . 7.500 3.982 2.840 5.477 . 0 0 "[ . 1 ]" 1
231 1 29 LEU MD1 1 35 CYS HA 5.000 . 5.500 4.608 4.233 4.728 . 0 0 "[ . 1 ]" 1
232 1 29 LEU MD2 1 32 GLY QA 5.000 . 6.500 4.811 4.636 4.933 . 0 0 "[ . 1 ]" 1
233 1 29 LEU MD2 1 33 PHE QD 5.000 . 7.500 3.676 3.098 4.057 . 0 0 "[ . 1 ]" 1
234 1 29 LEU MD2 1 33 PHE QE 5.000 . 7.500 5.238 4.494 5.581 . 0 0 "[ . 1 ]" 1
235 1 29 LEU HG 1 30 ASP H 4.000 . 4.000 4.083 3.963 4.271 0.271 11 0 "[ . 1 ]" 1
236 1 30 ASP H 1 30 ASP HA 3.000 . 3.000 2.822 2.419 2.990 . 0 0 "[ . 1 ]" 1
237 1 30 ASP H 1 32 GLY H 5.000 . 5.000 3.985 2.450 4.881 . 0 0 "[ . 1 ]" 1
238 1 30 ASP H 1 34 ILE H 4.000 . 4.000 3.278 2.795 4.011 0.011 8 0 "[ . 1 ]" 1
239 1 30 ASP QB 1 31 ASP H 4.000 . 5.000 2.514 1.929 3.826 . 0 0 "[ . 1 ]" 1
240 1 31 ASP HA 1 32 GLY H 4.000 . 4.000 2.883 2.213 3.392 . 0 0 "[ . 1 ]" 1
241 1 31 ASP QB 1 32 GLY H 5.000 . 6.000 3.643 3.193 3.913 . 0 0 "[ . 1 ]" 1
242 1 32 GLY H 1 33 PHE H 4.000 . 4.000 2.419 1.763 4.148 0.148 8 0 "[ . 1 ]" 1
243 1 32 GLY QA 1 33 PHE H 4.000 . 5.000 2.693 2.237 2.932 . 0 0 "[ . 1 ]" 1
244 1 32 GLY QA 1 33 PHE HB2 5.000 . 6.000 4.045 3.695 5.331 . 0 0 "[ . 1 ]" 1
245 1 32 GLY QA 1 33 PHE QD 5.000 . 8.000 3.760 2.855 4.969 . 0 0 "[ . 1 ]" 1
246 1 32 GLY QA 1 34 ILE H 5.000 . 6.000 3.252 2.863 3.613 . 0 0 "[ . 1 ]" 1
247 1 32 GLY QA 1 34 ILE MD 5.000 . 6.500 3.718 3.156 4.252 . 0 0 "[ . 1 ]" 1
248 1 33 PHE H 1 33 PHE HA 3.000 . 3.000 2.383 2.328 2.896 . 0 0 "[ . 1 ]" 1
249 1 33 PHE H 1 33 PHE HB2 4.000 . 4.000 3.431 3.030 3.934 . 0 0 "[ . 1 ]" 1
250 1 33 PHE H 1 33 PHE QD 5.000 . 7.000 3.025 1.881 3.860 . 0 0 "[ . 1 ]" 1
251 1 33 PHE H 1 34 ILE H 4.000 . 4.000 2.781 2.636 3.137 . 0 0 "[ . 1 ]" 1
252 1 33 PHE HA 1 33 PHE HB3 3.000 . 3.000 2.604 2.423 2.962 . 0 0 "[ . 1 ]" 1
253 1 33 PHE HA 1 33 PHE QD 4.000 . 6.000 2.607 1.856 3.697 . 0 0 "[ . 1 ]" 1
254 1 33 PHE HA 1 33 PHE QE 5.000 . 7.000 4.500 4.067 5.607 . 0 0 "[ . 1 ]" 1
255 1 33 PHE HA 1 34 ILE H 4.000 . 4.000 3.099 2.987 3.227 . 0 0 "[ . 1 ]" 1
256 1 33 PHE HB3 1 34 ILE H 5.000 . 5.000 4.340 3.870 4.599 . 0 0 "[ . 1 ]" 1
257 1 34 ILE H 1 34 ILE HB 3.000 . 3.000 2.610 2.442 2.742 . 0 0 "[ . 1 ]" 1
258 1 34 ILE H 1 34 ILE MD 4.000 . 4.500 2.979 2.275 3.321 . 0 0 "[ . 1 ]" 1
259 1 34 ILE H 1 34 ILE HG13 5.000 . 5.000 4.001 3.711 4.304 . 0 0 "[ . 1 ]" 1
260 1 34 ILE HA 1 34 ILE HB 3.000 . 3.000 3.026 3.016 3.033 0.033 1 0 "[ . 1 ]" 1
261 1 34 ILE HA 1 34 ILE MD 3.000 . 3.500 1.850 1.717 2.044 0.083 6 0 "[ . 1 ]" 1
262 1 34 ILE HA 1 35 CYS H 3.000 . 3.000 2.192 2.134 2.267 . 0 0 "[ . 1 ]" 1
263 1 34 ILE HB 1 35 CYS H 5.000 . 5.000 4.124 3.764 4.400 . 0 0 "[ . 1 ]" 1
264 1 34 ILE MD 1 35 CYS H 4.000 . 4.500 3.591 3.282 3.764 . 0 0 "[ . 1 ]" 1
265 1 34 ILE MG 1 35 CYS H 4.000 . 4.500 2.571 1.988 3.295 . 0 0 "[ . 1 ]" 1
266 1 34 ILE MG 1 36 THR HB 4.000 . 4.500 3.040 2.221 3.595 . 0 0 "[ . 1 ]" 1
267 1 35 CYS H 1 35 CYS QB 3.000 . 3.000 2.271 2.096 2.374 . 0 0 "[ . 1 ]" 1
268 1 35 CYS HA 1 36 THR H 4.000 . 4.000 2.670 2.200 3.554 . 0 0 "[ . 1 ]" 1
269 1 36 THR H 1 36 THR HB 4.000 . 4.000 3.410 2.293 3.837 . 0 0 "[ . 1 ]" 1
270 1 36 THR HA 1 36 THR HB 3.000 . 3.000 2.529 2.312 3.007 0.007 4 0 "[ . 1 ]" 1
271 1 36 THR HA 1 37 ASP H 4.000 . 4.000 2.656 2.152 3.535 . 0 0 "[ . 1 ]" 1
272 1 36 THR MG 1 37 ASP H 5.000 . 5.500 3.048 1.993 3.669 . 0 0 "[ . 1 ]" 1
273 1 37 ASP H 1 37 ASP HB2 4.000 . 4.000 3.226 2.567 4.115 0.115 3 0 "[ . 1 ]" 1
274 1 37 ASP H 1 37 ASP HB3 4.000 . 4.000 3.392 2.727 3.985 . 0 0 "[ . 1 ]" 1
275 1 37 ASP H 1 38 ILE H 4.000 . 4.000 2.649 1.800 4.010 0.010 1 0 "[ . 1 ]" 1
276 1 37 ASP H 1 38 ILE MG 4.000 . 4.500 3.227 2.552 3.613 . 0 0 "[ . 1 ]" 1
277 1 38 ILE H 1 38 ILE HA 3.000 . 3.000 2.875 2.383 2.991 . 0 0 "[ . 1 ]" 1
278 1 38 ILE H 1 38 ILE HB 4.000 . 4.000 3.435 2.059 3.967 . 0 0 "[ . 1 ]" 1
279 1 38 ILE H 1 38 ILE HG12 4.000 . 4.000 2.944 2.266 4.105 0.105 9 0 "[ . 1 ]" 1
280 1 38 ILE H 1 38 ILE HG13 4.000 . 4.000 3.374 2.358 4.266 0.266 9 0 "[ . 1 ]" 1
281 1 38 ILE H 1 38 ILE MG 4.000 . 4.500 2.818 1.780 3.371 0.020 9 0 "[ . 1 ]" 1
282 1 38 ILE HA 1 38 ILE HB 3.000 . 3.000 2.504 2.331 2.710 . 0 0 "[ . 1 ]" 1
283 1 38 ILE HA 1 38 ILE HG12 4.000 . 4.000 3.385 1.981 4.022 0.022 4 0 "[ . 1 ]" 1
284 1 38 ILE HA 1 38 ILE HG13 4.000 . 4.000 3.501 2.687 3.762 . 0 0 "[ . 1 ]" 1
285 1 38 ILE HA 1 39 ASP H 4.000 . 4.000 2.623 2.183 3.549 . 0 0 "[ . 1 ]" 1
286 1 39 ASP H 1 39 ASP HB2 4.000 . 4.000 2.910 2.154 3.801 . 0 0 "[ . 1 ]" 1
287 1 39 ASP HA 1 40 GLU H 4.000 . 4.000 2.681 2.190 3.586 . 0 0 "[ . 1 ]" 1
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