NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
376443 |
1fme   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fme
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 301
_Distance_constraint_stats_list.Viol_count 427
_Distance_constraint_stats_list.Viol_total 1549.691
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0261
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0045
_Distance_constraint_stats_list.Viol_average_violations_only 0.1067
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 2 GLN 0.956 0.139 27 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 1.193 0.139 27 0 "[ . 1 . 2 . 3 ]"
1 4 THR 0.238 0.115 33 0 "[ . 1 . 2 . 3 ]"
1 5 ALA 4.291 0.193 14 0 "[ . 1 . 2 . 3 ]"
1 6 LYS 0.217 0.118 32 0 "[ . 1 . 2 . 3 ]"
1 7 TYR 0.157 0.041 32 0 "[ . 1 . 2 . 3 ]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 10 ARG 0.041 0.041 32 0 "[ . 1 . 2 . 3 ]"
1 11 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 12 PHE 0.551 0.138 20 0 "[ . 1 . 2 . 3 ]"
1 13 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 14 ASN 0.332 0.072 32 0 "[ . 1 . 2 . 3 ]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 16 LYS 10.967 0.228 3 0 "[ . 1 . 2 . 3 ]"
1 17 GLU 7.511 0.228 3 0 "[ . 1 . 2 . 3 ]"
1 18 LEU 1.444 0.075 8 0 "[ . 1 . 2 . 3 ]"
1 19 ARG 0.754 0.068 28 0 "[ . 1 . 2 . 3 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 21 PHE 7.528 0.195 18 0 "[ . 1 . 2 . 3 ]"
1 22 ILE 11.788 0.195 18 0 "[ . 1 . 2 . 3 ]"
1 23 GLU 6.001 0.148 31 0 "[ . 1 . 2 . 3 ]"
1 24 LYS 0.082 0.019 19 0 "[ . 1 . 2 . 3 ]"
1 25 PHE 8.192 0.264 2 0 "[ . 1 . 2 . 3 ]"
1 26 LYS 8.375 0.229 18 0 "[ . 1 . 2 . 3 ]"
1 27 GLY 6.127 0.229 18 0 "[ . 1 . 2 . 3 ]"
1 28 ARG 0.107 0.057 10 0 "[ . 1 . 2 . 3 ]"
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 GLU HA 1 2 GLN H 3.000 . 3.300 2.418 2.209 2.937 . 0 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 GLN H 1 2 GLN QG 4.000 . 5.000 4.026 3.517 4.330 . 0 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 GLN H 1 3 TYR H 4.000 . 5.000 4.439 4.010 4.662 . 0 0 "[ . 1 . 2 . 3 ]" 1
4 1 2 GLN HA 1 3 TYR H 2.500 . 2.700 2.622 2.249 2.839 0.139 27 0 "[ . 1 . 2 . 3 ]" 1
5 1 2 GLN QB 1 3 TYR H 4.000 . 5.000 2.601 2.042 4.008 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 GLN QG 1 3 TYR H 4.000 . 5.000 2.394 1.920 3.634 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 2 GLN QG 1 3 TYR QE 4.000 . 5.000 3.628 2.803 4.123 . 0 0 "[ . 1 . 2 . 3 ]" 1
8 1 3 TYR H 1 3 TYR HA 3.000 . 3.300 2.737 2.366 2.930 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 3 TYR H 1 3 TYR QB 2.500 . 2.700 2.439 2.145 2.606 . 0 0 "[ . 1 . 2 . 3 ]" 1
10 1 3 TYR H 1 3 TYR QD 4.000 . 5.000 2.560 2.202 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 3 TYR H 1 3 TYR QE 4.000 . 5.000 4.132 3.941 4.703 . 0 0 "[ . 1 . 2 . 3 ]" 1
12 1 3 TYR H 1 4 THR H 4.000 . 5.000 4.640 4.508 4.706 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 3 TYR HA 1 3 TYR QD 4.000 . 5.000 3.454 2.711 3.687 . 0 0 "[ . 1 . 2 . 3 ]" 1
14 1 3 TYR HA 1 3 TYR QE 4.000 . 6.000 5.233 4.172 5.591 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 3 TYR HA 1 4 THR H 2.500 . 2.700 2.394 2.114 2.815 0.115 33 0 "[ . 1 . 2 . 3 ]" 1
16 1 3 TYR QB 1 3 TYR QD 2.500 . 2.700 2.139 2.122 2.149 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 3 TYR QB 1 3 TYR QE 4.000 . 5.000 3.947 3.931 3.956 . 0 0 "[ . 1 . 2 . 3 ]" 1
18 1 3 TYR QB 1 4 THR H 4.000 . 5.000 2.616 1.821 3.272 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 3 TYR QD 1 4 THR H 4.000 . 5.000 3.287 2.235 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 3 TYR QD 1 5 ALA H 4.000 . 5.000 2.251 1.916 3.108 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 3 TYR QD 1 5 ALA MB 3.000 . 3.800 2.567 1.965 2.889 . 0 0 "[ . 1 . 2 . 3 ]" 1
22 1 3 TYR QD 1 11 THR MG 4.000 . 5.500 4.156 4.103 4.213 . 0 0 "[ . 1 . 2 . 3 ]" 1
23 1 3 TYR QD 1 14 ASN H 4.000 . 5.000 4.408 3.977 4.530 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 3 TYR QE 1 5 ALA H 4.000 . 5.000 4.133 3.315 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 3 TYR QE 1 5 ALA MB 4.000 . 5.500 3.149 1.856 3.647 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 3 TYR QE 1 12 PHE HB2 4.000 . 5.000 3.211 1.958 4.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 3 TYR QE 1 12 PHE HB3 4.000 . 5.000 2.875 1.981 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 3 TYR QE 1 14 ASN H 4.000 . 5.000 3.059 2.285 4.501 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 3 TYR QE 1 15 GLU HA 4.000 . 5.000 3.863 2.970 4.255 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 3 TYR QE 1 15 GLU QB 4.000 . 5.000 3.975 3.784 4.005 . 0 0 "[ . 1 . 2 . 3 ]" 1
31 1 3 TYR QE 1 15 GLU QG 4.000 . 5.000 3.863 2.354 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
32 1 3 TYR QE 1 18 LEU QB 4.000 . 5.000 3.643 3.270 3.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 3 TYR QE 1 18 LEU QD 4.000 . 5.500 2.980 2.276 3.616 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 4 THR H 1 4 THR HA 3.000 . 3.300 2.945 2.381 3.002 . 0 0 "[ . 1 . 2 . 3 ]" 1
35 1 4 THR H 1 4 THR HB 4.000 . 5.000 3.153 2.443 3.851 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 4 THR H 1 4 THR MG 4.000 . 5.500 3.569 2.797 4.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 4 THR H 1 5 ALA H 4.000 . 5.000 2.649 1.902 3.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
38 1 4 THR HA 1 4 THR MG 3.000 . 3.800 2.186 2.000 2.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 4 THR HA 1 11 THR MG 4.000 . 5.500 2.060 1.818 2.305 . 0 0 "[ . 1 . 2 . 3 ]" 1
40 1 4 THR HB 1 5 ALA H 4.000 . 5.000 4.014 1.966 4.434 . 0 0 "[ . 1 . 2 . 3 ]" 1
41 1 4 THR MG 1 5 ALA H 4.000 . 5.500 4.213 2.739 4.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 4 THR MG 1 11 THR HB 4.000 . 5.500 4.384 3.620 4.675 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 5 ALA H 1 5 ALA HA 2.500 . 2.700 2.776 2.337 2.893 0.193 14 0 "[ . 1 . 2 . 3 ]" 1
44 1 5 ALA H 1 5 ALA MB 2.500 . 3.200 2.067 1.944 2.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 5 ALA H 1 11 THR MG 4.000 . 5.500 3.286 2.773 3.717 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 5 ALA H 1 12 PHE H 4.000 . 5.000 3.434 2.680 4.515 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 5 ALA H 1 12 PHE HB2 4.000 . 5.000 3.909 3.161 5.138 0.138 20 0 "[ . 1 . 2 . 3 ]" 1
48 1 5 ALA HA 1 6 LYS H 2.500 . 2.700 2.268 2.143 2.818 0.118 32 0 "[ . 1 . 2 . 3 ]" 1
49 1 5 ALA MB 1 6 LYS H 3.000 . 3.800 3.157 2.060 3.405 . 0 0 "[ . 1 . 2 . 3 ]" 1
50 1 5 ALA MB 1 7 TYR QD 4.000 . 5.500 3.354 2.920 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 5 ALA MB 1 12 PHE H 4.000 . 5.500 2.973 2.400 3.267 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 5 ALA MB 1 12 PHE HB3 4.000 . 5.500 3.414 3.255 4.205 . 0 0 "[ . 1 . 2 . 3 ]" 1
53 1 5 ALA MB 1 12 PHE QD 3.000 . 3.800 2.957 2.761 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1
54 1 5 ALA MB 1 18 LEU QD 4.000 . 5.500 2.250 2.044 2.784 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 6 LYS H 1 6 LYS QB 3.000 . 3.300 2.908 2.424 3.015 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 6 LYS H 1 6 LYS QG 4.000 . 5.000 2.260 1.930 4.222 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 6 LYS HA 1 7 TYR QD 4.000 . 5.000 2.780 2.632 3.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 6 LYS HA 1 7 TYR QE 4.000 . 5.000 4.345 4.083 4.689 . 0 0 "[ . 1 . 2 . 3 ]" 1
59 1 6 LYS QB 1 7 TYR H 3.000 . 3.300 3.020 2.869 3.190 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 6 LYS QB 1 11 THR HA 3.000 . 3.300 2.956 2.836 3.169 . 0 0 "[ . 1 . 2 . 3 ]" 1
61 1 6 LYS QG 1 7 TYR H 4.000 . 5.000 3.976 2.159 4.313 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 6 LYS QG 1 11 THR HA 4.000 . 5.000 4.212 1.892 4.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 7 TYR H 1 7 TYR QB 3.000 . 3.300 2.466 2.374 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 7 TYR H 1 7 TYR QD 4.000 . 5.000 2.553 2.358 2.999 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 7 TYR H 1 10 ARG H 4.000 . 5.000 2.541 2.027 5.041 0.041 32 0 "[ . 1 . 2 . 3 ]" 1
66 1 7 TYR H 1 12 PHE QD 4.000 . 5.000 3.557 3.186 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
67 1 7 TYR HA 1 7 TYR QD 3.000 . 3.300 3.025 2.964 3.054 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 7 TYR HA 1 7 TYR QE 4.000 . 5.000 4.518 4.465 4.572 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 7 TYR QB 1 7 TYR QD 2.500 . 2.700 2.124 2.109 2.141 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 7 TYR QB 1 7 TYR QE 4.000 . 5.000 3.933 3.917 3.955 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 7 TYR QB 1 8 LYS H 4.000 . 5.000 2.855 1.947 3.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 7 TYR QB 1 12 PHE QE 2.500 . 2.700 1.925 1.772 2.196 0.028 17 0 "[ . 1 . 2 . 3 ]" 1
73 1 7 TYR QB 1 18 LEU QD 4.000 . 5.500 3.750 3.648 3.826 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 7 TYR QB 1 22 ILE MD 4.000 . 5.500 4.123 4.036 4.189 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 7 TYR QD 1 8 LYS H 4.000 . 5.000 4.299 3.992 4.595 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 7 TYR QD 1 12 PHE HZ 4.000 . 5.000 4.356 4.155 4.516 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 7 TYR QD 1 18 LEU QD 4.000 . 5.500 2.912 2.809 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 7 TYR QD 1 21 PHE QD 4.000 . 5.000 3.391 3.008 3.907 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 7 TYR QD 1 22 ILE MD 4.000 . 5.500 3.242 2.828 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
80 1 7 TYR QE 1 12 PHE HB2 3.000 . 3.300 3.131 3.004 3.201 . 0 0 "[ . 1 . 2 . 3 ]" 1
81 1 7 TYR QE 1 18 LEU QD 4.000 . 5.500 1.959 1.832 2.041 . 0 0 "[ . 1 . 2 . 3 ]" 1
82 1 7 TYR QE 1 21 PHE QD 4.000 . 5.000 3.994 3.939 4.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 7 TYR QE 1 22 ILE HA 4.000 . 5.000 4.632 4.586 4.684 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 7 TYR QE 1 22 ILE MD 4.000 . 5.500 2.253 1.841 2.734 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 7 TYR QE 1 22 ILE MG 4.000 . 5.500 3.705 3.319 4.077 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 8 LYS H 1 8 LYS HA 3.000 . 3.300 2.678 2.359 3.004 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 8 LYS H 1 9 GLY H 4.000 . 5.000 2.958 2.524 3.761 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 8 LYS HA 1 8 LYS QD 2.500 . 2.700 2.172 1.962 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 9 GLY H 1 10 ARG H 4.000 . 5.000 2.355 1.999 3.340 . 0 0 "[ . 1 . 2 . 3 ]" 1
90 1 9 GLY QA 1 10 ARG H 4.000 . 5.000 2.794 2.517 2.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 10 ARG H 1 10 ARG QB 3.000 . 3.300 2.656 2.168 2.715 . 0 0 "[ . 1 . 2 . 3 ]" 1
92 1 10 ARG H 1 10 ARG QD 4.000 . 5.000 4.431 4.144 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 10 ARG H 1 10 ARG QG 3.000 . 3.300 2.903 2.427 2.965 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 10 ARG H 1 12 PHE QE 4.000 . 5.000 4.104 3.589 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 10 ARG HA 1 10 ARG QB 2.500 . 2.700 2.378 2.363 2.469 . 0 0 "[ . 1 . 2 . 3 ]" 1
96 1 10 ARG HA 1 11 THR H 2.500 . 2.700 2.276 2.230 2.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
97 1 10 ARG QB 1 12 PHE QE 3.000 . 3.300 2.644 2.473 2.729 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 10 ARG QB 1 12 PHE HZ 4.000 . 5.000 3.366 2.998 3.790 . 0 0 "[ . 1 . 2 . 3 ]" 1
99 1 10 ARG QD 1 10 ARG HE 2.500 . 2.700 2.398 2.268 2.499 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 10 ARG QD 1 12 PHE HZ 4.000 . 5.000 3.825 3.309 4.302 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 10 ARG QD 1 21 PHE QE 4.000 . 5.000 3.327 2.476 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 10 ARG HE 1 10 ARG QG 3.000 . 3.300 2.393 2.001 2.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 10 ARG QG 1 11 THR H 4.000 . 5.000 4.375 3.744 4.486 . 0 0 "[ . 1 . 2 . 3 ]" 1
104 1 11 THR H 1 11 THR HB 2.500 . 2.700 2.480 2.360 2.585 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 11 THR H 1 11 THR MG 4.000 . 5.500 3.734 3.720 3.777 . 0 0 "[ . 1 . 2 . 3 ]" 1
106 1 11 THR H 1 12 PHE H 4.000 . 5.000 4.675 4.539 4.702 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 11 THR HA 1 11 THR HB 3.000 . 3.300 3.033 3.025 3.043 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 11 THR HA 1 12 PHE H 2.500 . 2.700 2.381 2.163 2.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 11 THR HA 1 12 PHE QD 4.000 . 5.000 3.049 2.689 3.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
110 1 11 THR HB 1 12 PHE H 4.000 . 5.000 3.818 3.503 4.215 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 11 THR MG 1 12 PHE H 4.000 . 5.500 2.014 1.880 2.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 11 THR MG 1 12 PHE HA 4.000 . 5.500 3.836 3.631 4.278 . 0 0 "[ . 1 . 2 . 3 ]" 1
113 1 11 THR MG 1 12 PHE QD 4.000 . 5.500 4.096 3.825 4.157 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 12 PHE H 1 12 PHE HB2 3.000 . 3.300 2.405 2.217 2.551 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 12 PHE H 1 12 PHE HB3 4.000 . 5.000 3.639 3.517 3.719 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 12 PHE H 1 12 PHE QD 3.000 . 3.300 2.694 1.991 2.982 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 12 PHE HA 1 12 PHE HB2 3.000 . 3.300 3.027 3.013 3.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
118 1 12 PHE HA 1 12 PHE HB3 3.000 . 3.300 2.603 2.545 2.654 . 0 0 "[ . 1 . 2 . 3 ]" 1
119 1 12 PHE HA 1 12 PHE QD 3.000 . 3.300 2.938 2.843 3.011 . 0 0 "[ . 1 . 2 . 3 ]" 1
120 1 12 PHE HA 1 12 PHE QE 4.000 . 5.000 4.438 4.392 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 12 PHE HA 1 13 ARG H 3.000 . 3.300 2.191 2.174 2.231 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 12 PHE HA 1 14 ASN H 4.000 . 5.000 3.782 3.387 4.093 . 0 0 "[ . 1 . 2 . 3 ]" 1
123 1 12 PHE HA 1 17 GLU HB2 4.000 . 5.000 4.624 4.139 5.018 0.018 4 0 "[ . 1 . 2 . 3 ]" 1
124 1 12 PHE HA 1 17 GLU HB3 4.000 . 5.000 4.431 4.063 4.846 . 0 0 "[ . 1 . 2 . 3 ]" 1
125 1 12 PHE HB2 1 12 PHE QD 2.500 . 2.700 2.395 2.342 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 12 PHE HB2 1 13 ARG H 4.000 . 5.000 4.453 4.300 4.569 . 0 0 "[ . 1 . 2 . 3 ]" 1
127 1 12 PHE HB2 1 14 ASN H 4.000 . 5.000 4.438 4.126 4.588 . 0 0 "[ . 1 . 2 . 3 ]" 1
128 1 12 PHE HB2 1 18 LEU QB 4.000 . 5.000 3.607 2.792 4.071 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 12 PHE HB3 1 12 PHE QD 2.500 . 2.700 2.393 2.351 2.431 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 12 PHE HB3 1 17 GLU HB2 4.000 . 5.000 4.072 3.495 4.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 12 PHE HB3 1 18 LEU QB 3.000 . 3.300 2.546 1.950 2.974 . 0 0 "[ . 1 . 2 . 3 ]" 1
132 1 12 PHE HB3 1 18 LEU QD 4.000 . 5.500 2.582 2.135 2.969 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 12 PHE QD 1 13 ARG H 4.000 . 5.000 4.206 3.781 4.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
134 1 12 PHE QD 1 14 ASN H 4.000 . 5.000 4.186 3.882 4.482 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 12 PHE QD 1 17 GLU HB2 4.000 . 5.000 2.880 2.375 3.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 12 PHE QD 1 17 GLU HB3 3.000 . 3.300 2.316 2.035 2.850 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 12 PHE QD 1 17 GLU QG 4.000 . 5.000 4.031 3.985 4.098 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 12 PHE QD 1 18 LEU QD 3.000 . 3.800 2.424 2.242 2.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 12 PHE QE 1 18 LEU QD 4.000 . 5.500 2.986 2.695 3.375 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 12 PHE QE 1 21 PHE HB2 2.500 . 2.700 2.133 1.984 2.372 . 0 0 "[ . 1 . 2 . 3 ]" 1
141 1 12 PHE QE 1 21 PHE HB3 3.000 . 3.300 3.052 2.994 3.105 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 12 PHE QE 1 21 PHE QD 4.000 . 5.000 3.335 2.898 3.608 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 12 PHE HZ 1 21 PHE HB2 4.000 . 5.000 3.058 2.529 3.620 . 0 0 "[ . 1 . 2 . 3 ]" 1
144 1 12 PHE HZ 1 21 PHE QD 4.000 . 5.000 2.875 2.709 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 13 ARG H 1 13 ARG QB 3.000 . 3.300 2.516 2.113 2.947 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 13 ARG H 1 13 ARG QD 4.000 . 5.000 3.975 2.332 4.507 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 13 ARG H 1 13 ARG QG 4.000 . 5.000 2.894 1.942 4.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 13 ARG H 1 14 ASN H 4.000 . 5.000 2.699 2.518 2.936 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 13 ARG HA 1 14 ASN H 4.000 . 5.000 2.941 2.813 3.179 . 0 0 "[ . 1 . 2 . 3 ]" 1
150 1 13 ARG QD 1 13 ARG HE 2.500 . 2.700 2.391 2.277 2.526 . 0 0 "[ . 1 . 2 . 3 ]" 1
151 1 14 ASN H 1 14 ASN QB 3.000 . 3.300 2.770 2.610 2.900 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 14 ASN H 1 15 GLU H 4.000 . 5.000 4.158 3.960 4.367 . 0 0 "[ . 1 . 2 . 3 ]" 1
153 1 14 ASN H 1 17 GLU H 4.000 . 5.000 4.809 4.496 5.072 0.072 32 0 "[ . 1 . 2 . 3 ]" 1
154 1 14 ASN H 1 17 GLU HB2 4.000 . 5.000 3.611 3.311 3.954 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 14 ASN H 1 17 GLU HB3 4.000 . 5.000 4.816 4.377 5.030 0.030 30 0 "[ . 1 . 2 . 3 ]" 1
156 1 14 ASN H 1 18 LEU H 4.000 . 5.000 4.200 4.025 4.414 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 14 ASN HA 1 15 GLU H 2.500 . 2.700 2.232 2.177 2.399 . 0 0 "[ . 1 . 2 . 3 ]" 1
158 1 14 ASN QB 1 14 ASN HD21 2.500 . 2.700 2.388 2.213 2.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 14 ASN QB 1 15 GLU H 4.000 . 5.000 3.684 3.320 3.925 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 14 ASN QB 1 16 LYS H 4.000 . 5.000 3.842 3.276 4.400 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 14 ASN QB 1 17 GLU H 4.000 . 5.000 2.668 2.179 3.146 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 14 ASN HD21 1 15 GLU QB 4.000 . 5.000 4.382 3.963 4.513 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 14 ASN HD22 1 17 GLU QG 4.000 . 5.000 4.440 4.166 4.509 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 15 GLU H 1 15 GLU HA 3.000 . 3.300 2.870 2.827 2.957 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 15 GLU H 1 15 GLU QB 2.500 . 2.700 2.042 1.950 2.161 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 15 GLU H 1 15 GLU QG 4.000 . 5.000 3.732 2.733 3.910 . 0 0 "[ . 1 . 2 . 3 ]" 1
167 1 15 GLU H 1 16 LYS H 4.000 . 5.000 2.706 2.373 2.892 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 15 GLU H 1 16 LYS QB 4.000 . 5.000 4.329 4.115 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 15 GLU HA 1 15 GLU QG 3.000 . 3.300 2.167 1.991 2.389 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 15 GLU HA 1 18 LEU H 4.000 . 5.000 3.828 3.439 4.210 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 15 GLU QB 1 16 LYS H 3.000 . 3.300 2.509 2.246 2.736 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 16 LYS H 1 16 LYS HA 2.500 . 2.700 2.812 2.787 2.835 0.135 33 0 "[ . 1 . 2 . 3 ]" 1
173 1 16 LYS H 1 16 LYS QB 2.500 . 2.700 2.099 1.951 2.393 . 0 0 "[ . 1 . 2 . 3 ]" 1
174 1 16 LYS H 1 18 LEU H 4.000 . 5.000 4.709 4.362 4.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 16 LYS HA 1 17 GLU H 3.000 . 3.300 3.510 3.503 3.528 0.228 3 0 "[ . 1 . 2 . 3 ]" 1
176 1 16 LYS HA 1 19 ARG H 4.000 . 5.000 3.982 3.738 4.296 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 16 LYS HA 1 20 ASP H 4.000 . 5.000 4.513 4.217 4.774 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 16 LYS QB 1 17 GLU H 2.500 . 2.700 2.431 2.409 2.471 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 16 LYS QE 1 16 LYS QG 3.000 . 3.300 2.146 1.963 2.537 . 0 0 "[ . 1 . 2 . 3 ]" 1
180 1 17 GLU H 1 17 GLU HA 3.000 . 3.300 2.863 2.821 2.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 17 GLU H 1 17 GLU HB2 3.000 . 3.300 2.214 2.006 2.444 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 17 GLU H 1 17 GLU HB3 4.000 . 5.000 3.493 3.376 3.553 . 0 0 "[ . 1 . 2 . 3 ]" 1
183 1 17 GLU H 1 17 GLU QG 3.000 . 3.300 2.424 1.964 2.960 . 0 0 "[ . 1 . 2 . 3 ]" 1
184 1 17 GLU H 1 18 LEU H 3.000 . 3.300 2.922 2.699 3.109 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 17 GLU HA 1 17 GLU HB2 3.000 . 3.300 3.009 2.953 3.039 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 17 GLU HA 1 17 GLU HB3 3.000 . 3.300 2.616 2.478 2.768 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 17 GLU HA 1 17 GLU QG 3.000 . 3.300 2.664 2.203 2.869 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 17 GLU HA 1 18 LEU H 4.000 . 5.000 3.565 3.540 3.582 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 17 GLU HA 1 20 ASP H 4.000 . 5.000 3.738 3.473 3.961 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 17 GLU HA 1 20 ASP QB 3.000 . 3.300 2.902 2.734 2.992 . 0 0 "[ . 1 . 2 . 3 ]" 1
191 1 17 GLU HA 1 21 PHE H 4.000 . 5.000 4.219 3.911 4.704 . 0 0 "[ . 1 . 2 . 3 ]" 1
192 1 17 GLU HB2 1 18 LEU H 4.000 . 5.000 2.232 1.976 2.527 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 17 GLU HB3 1 18 LEU H 4.000 . 5.000 2.835 2.311 3.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
194 1 18 LEU H 1 18 LEU QB 2.500 . 2.700 2.070 1.967 2.177 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 18 LEU H 1 18 LEU HG 4.000 . 5.000 4.468 4.415 4.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
196 1 18 LEU H 1 19 ARG H 4.000 . 5.000 2.922 2.751 3.056 . 0 0 "[ . 1 . 2 . 3 ]" 1
197 1 18 LEU H 1 20 ASP H 4.000 . 5.000 4.099 3.965 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 18 LEU H 1 21 PHE HB2 4.000 . 5.000 5.037 4.985 5.075 0.075 8 0 "[ . 1 . 2 . 3 ]" 1
199 1 18 LEU H 1 21 PHE HB3 4.000 . 5.000 4.865 4.634 5.044 0.044 22 0 "[ . 1 . 2 . 3 ]" 1
200 1 18 LEU HA 1 18 LEU QD 3.000 . 3.800 1.851 1.791 1.919 0.009 5 0 "[ . 1 . 2 . 3 ]" 1
201 1 18 LEU HA 1 18 LEU HG 4.000 . 5.000 2.809 2.693 3.126 . 0 0 "[ . 1 . 2 . 3 ]" 1
202 1 18 LEU HA 1 19 ARG H 4.000 . 5.000 3.586 3.547 3.612 . 0 0 "[ . 1 . 2 . 3 ]" 1
203 1 18 LEU QB 1 19 ARG H 4.000 . 5.000 2.407 2.230 2.604 . 0 0 "[ . 1 . 2 . 3 ]" 1
204 1 18 LEU QD 1 21 PHE QD 4.000 . 5.500 3.004 1.957 3.577 . 0 0 "[ . 1 . 2 . 3 ]" 1
205 1 18 LEU QD 1 22 ILE H 4.000 . 5.500 3.566 2.826 3.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
206 1 18 LEU QD 1 22 ILE QG 4.000 . 5.500 2.886 1.923 3.465 . 0 0 "[ . 1 . 2 . 3 ]" 1
207 1 18 LEU HG 1 19 ARG H 4.000 . 5.000 4.045 3.543 4.445 . 0 0 "[ . 1 . 2 . 3 ]" 1
208 1 18 LEU HG 1 19 ARG HA 4.000 . 5.000 4.286 3.575 4.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
209 1 18 LEU HG 1 22 ILE MD 4.000 . 5.500 2.276 1.827 3.078 . 0 0 "[ . 1 . 2 . 3 ]" 1
210 1 19 ARG H 1 19 ARG QB 2.500 . 2.700 2.260 2.187 2.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
211 1 19 ARG H 1 19 ARG QG 2.500 . 2.700 2.341 2.066 2.425 . 0 0 "[ . 1 . 2 . 3 ]" 1
212 1 19 ARG H 1 20 ASP H 3.000 . 3.300 2.722 2.591 2.799 . 0 0 "[ . 1 . 2 . 3 ]" 1
213 1 19 ARG HA 1 19 ARG QB 2.500 . 2.700 2.440 2.418 2.466 . 0 0 "[ . 1 . 2 . 3 ]" 1
214 1 19 ARG HA 1 19 ARG QG 2.500 . 2.700 2.320 2.124 2.451 . 0 0 "[ . 1 . 2 . 3 ]" 1
215 1 19 ARG HA 1 20 ASP H 4.000 . 5.000 3.505 3.478 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
216 1 19 ARG HA 1 21 PHE H 4.000 . 5.000 4.569 4.271 4.836 . 0 0 "[ . 1 . 2 . 3 ]" 1
217 1 19 ARG HA 1 22 ILE H 4.000 . 5.000 4.561 3.747 5.068 0.068 28 0 "[ . 1 . 2 . 3 ]" 1
218 1 19 ARG HA 1 22 ILE MD 4.000 . 5.500 4.199 3.782 4.773 . 0 0 "[ . 1 . 2 . 3 ]" 1
219 1 19 ARG HA 1 23 GLU H 4.000 . 5.000 4.407 4.092 4.764 . 0 0 "[ . 1 . 2 . 3 ]" 1
220 1 19 ARG QB 1 20 ASP H 3.000 . 3.300 2.846 2.641 2.967 . 0 0 "[ . 1 . 2 . 3 ]" 1
221 1 19 ARG QD 1 19 ARG HE 2.500 . 2.700 2.380 2.274 2.492 . 0 0 "[ . 1 . 2 . 3 ]" 1
222 1 19 ARG QG 1 20 ASP H 4.000 . 5.000 4.246 4.139 4.346 . 0 0 "[ . 1 . 2 . 3 ]" 1
223 1 20 ASP H 1 20 ASP HA 3.000 . 3.300 2.959 2.919 2.981 . 0 0 "[ . 1 . 2 . 3 ]" 1
224 1 20 ASP H 1 20 ASP QB 2.500 . 2.700 2.154 1.972 2.291 . 0 0 "[ . 1 . 2 . 3 ]" 1
225 1 20 ASP H 1 21 PHE H 4.000 . 5.000 2.268 2.152 2.420 . 0 0 "[ . 1 . 2 . 3 ]" 1
226 1 20 ASP H 1 21 PHE HB2 4.000 . 5.000 4.590 4.404 4.805 . 0 0 "[ . 1 . 2 . 3 ]" 1
227 1 20 ASP HA 1 23 GLU QB 3.000 . 3.300 2.602 2.373 2.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
228 1 20 ASP HA 1 23 GLU QG 4.000 . 5.000 3.957 3.373 4.464 . 0 0 "[ . 1 . 2 . 3 ]" 1
229 1 20 ASP HA 1 24 LYS H 4.000 . 5.000 4.280 3.623 4.932 . 0 0 "[ . 1 . 2 . 3 ]" 1
230 1 20 ASP QB 1 21 PHE H 4.000 . 5.000 2.663 2.402 3.082 . 0 0 "[ . 1 . 2 . 3 ]" 1
231 1 21 PHE H 1 21 PHE HA 3.000 . 3.300 2.881 2.847 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
232 1 21 PHE H 1 21 PHE HB2 2.500 . 2.700 2.522 2.448 2.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
233 1 21 PHE H 1 21 PHE HB3 2.500 . 2.700 2.410 2.301 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
234 1 21 PHE H 1 21 PHE QD 4.000 . 5.000 4.114 4.086 4.137 . 0 0 "[ . 1 . 2 . 3 ]" 1
235 1 21 PHE H 1 22 ILE H 3.000 . 3.300 2.972 2.753 3.175 . 0 0 "[ . 1 . 2 . 3 ]" 1
236 1 21 PHE H 1 23 GLU H 4.000 . 5.000 3.850 3.706 3.951 . 0 0 "[ . 1 . 2 . 3 ]" 1
237 1 21 PHE HA 1 21 PHE HB3 3.000 . 3.300 3.041 3.037 3.044 . 0 0 "[ . 1 . 2 . 3 ]" 1
238 1 21 PHE HA 1 21 PHE QD 2.500 . 2.700 2.612 2.578 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
239 1 21 PHE HA 1 22 ILE H 4.000 . 5.000 3.545 3.514 3.568 . 0 0 "[ . 1 . 2 . 3 ]" 1
240 1 21 PHE HA 1 24 LYS H 4.000 . 5.000 3.483 3.198 3.663 . 0 0 "[ . 1 . 2 . 3 ]" 1
241 1 21 PHE HB2 1 21 PHE QD 2.500 . 2.700 2.434 2.412 2.453 . 0 0 "[ . 1 . 2 . 3 ]" 1
242 1 21 PHE HB2 1 22 ILE H 3.000 . 3.300 3.479 3.461 3.495 0.195 18 0 "[ . 1 . 2 . 3 ]" 1
243 1 21 PHE HB3 1 21 PHE QD 2.500 . 2.700 2.382 2.361 2.407 . 0 0 "[ . 1 . 2 . 3 ]" 1
244 1 21 PHE HB3 1 22 ILE H 4.000 . 5.000 1.942 1.904 1.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
245 1 21 PHE QD 1 22 ILE H 4.000 . 5.000 2.377 2.197 2.490 . 0 0 "[ . 1 . 2 . 3 ]" 1
246 1 21 PHE QD 1 22 ILE HA 4.000 . 5.000 2.864 2.777 2.986 . 0 0 "[ . 1 . 2 . 3 ]" 1
247 1 21 PHE QD 1 22 ILE MD 4.000 . 5.500 2.148 1.947 2.386 . 0 0 "[ . 1 . 2 . 3 ]" 1
248 1 21 PHE QD 1 22 ILE QG 2.500 . 2.700 2.046 1.912 2.247 . 0 0 "[ . 1 . 2 . 3 ]" 1
249 1 21 PHE QD 1 22 ILE MG 4.000 . 5.500 4.203 4.183 4.228 . 0 0 "[ . 1 . 2 . 3 ]" 1
250 1 21 PHE QD 1 25 PHE H 4.000 . 5.000 4.491 4.375 4.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
251 1 21 PHE QD 1 25 PHE QB 4.000 . 5.000 3.628 3.391 3.882 . 0 0 "[ . 1 . 2 . 3 ]" 1
252 1 22 ILE H 1 22 ILE HB 2.500 . 2.700 2.458 2.431 2.488 . 0 0 "[ . 1 . 2 . 3 ]" 1
253 1 22 ILE H 1 22 ILE MD 4.000 . 5.500 2.425 1.918 3.187 . 0 0 "[ . 1 . 2 . 3 ]" 1
254 1 22 ILE H 1 22 ILE QG 2.500 . 2.700 2.263 1.834 2.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
255 1 22 ILE H 1 22 ILE MG 4.000 . 5.500 3.710 3.697 3.722 . 0 0 "[ . 1 . 2 . 3 ]" 1
256 1 22 ILE H 1 23 GLU H 2.500 . 2.700 2.824 2.798 2.848 0.148 31 0 "[ . 1 . 2 . 3 ]" 1
257 1 22 ILE HA 1 22 ILE HB 3.000 . 3.300 3.037 3.033 3.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
258 1 22 ILE HA 1 22 ILE MD 4.000 . 5.500 2.924 2.019 3.508 . 0 0 "[ . 1 . 2 . 3 ]" 1
259 1 22 ILE HA 1 22 ILE QG 3.000 . 3.300 2.443 2.182 2.853 . 0 0 "[ . 1 . 2 . 3 ]" 1
260 1 22 ILE HA 1 22 ILE MG 2.500 . 3.200 2.430 2.385 2.459 . 0 0 "[ . 1 . 2 . 3 ]" 1
261 1 22 ILE HA 1 23 GLU H 4.000 . 5.000 3.519 3.511 3.528 . 0 0 "[ . 1 . 2 . 3 ]" 1
262 1 22 ILE HA 1 25 PHE H 4.000 . 5.000 3.747 3.271 4.310 . 0 0 "[ . 1 . 2 . 3 ]" 1
263 1 22 ILE HA 1 25 PHE QB 4.000 . 5.000 3.186 1.964 3.831 . 0 0 "[ . 1 . 2 . 3 ]" 1
264 1 22 ILE HA 1 25 PHE QD 4.000 . 5.000 4.039 2.522 4.484 . 0 0 "[ . 1 . 2 . 3 ]" 1
265 1 22 ILE HB 1 23 GLU H 2.500 . 2.700 2.721 2.706 2.740 0.040 11 0 "[ . 1 . 2 . 3 ]" 1
266 1 22 ILE MG 1 23 GLU H 4.000 . 5.500 3.510 3.464 3.543 . 0 0 "[ . 1 . 2 . 3 ]" 1
267 1 22 ILE MG 1 23 GLU HA 4.000 . 5.500 3.561 3.507 3.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
268 1 23 GLU H 1 23 GLU HA 3.000 . 3.300 2.908 2.871 2.973 . 0 0 "[ . 1 . 2 . 3 ]" 1
269 1 23 GLU H 1 23 GLU QB 2.500 . 2.700 2.127 1.963 2.319 . 0 0 "[ . 1 . 2 . 3 ]" 1
270 1 23 GLU H 1 23 GLU QG 4.000 . 5.000 3.601 2.350 4.033 . 0 0 "[ . 1 . 2 . 3 ]" 1
271 1 23 GLU H 1 24 LYS H 3.000 . 3.300 2.541 2.218 2.697 . 0 0 "[ . 1 . 2 . 3 ]" 1
272 1 23 GLU HA 1 24 LYS H 4.000 . 5.000 3.547 3.510 3.589 . 0 0 "[ . 1 . 2 . 3 ]" 1
273 1 23 GLU HA 1 26 LYS H 4.000 . 5.000 5.031 4.987 5.079 0.079 22 0 "[ . 1 . 2 . 3 ]" 1
274 1 23 GLU QB 1 24 LYS H 3.000 . 3.300 2.576 2.238 2.877 . 0 0 "[ . 1 . 2 . 3 ]" 1
275 1 24 LYS H 1 24 LYS HA 3.000 . 3.300 2.930 2.873 2.978 . 0 0 "[ . 1 . 2 . 3 ]" 1
276 1 24 LYS H 1 24 LYS QB 2.500 . 2.700 2.139 1.961 2.347 . 0 0 "[ . 1 . 2 . 3 ]" 1
277 1 24 LYS H 1 24 LYS QG 4.000 . 5.000 3.607 2.091 4.007 . 0 0 "[ . 1 . 2 . 3 ]" 1
278 1 24 LYS H 1 25 PHE H 2.500 . 2.700 2.553 2.227 2.719 0.019 19 0 "[ . 1 . 2 . 3 ]" 1
279 1 24 LYS HA 1 24 LYS QG 3.000 . 3.300 2.280 1.992 2.807 . 0 0 "[ . 1 . 2 . 3 ]" 1
280 1 24 LYS HA 1 25 PHE H 4.000 . 5.000 3.579 3.535 3.596 . 0 0 "[ . 1 . 2 . 3 ]" 1
281 1 24 LYS QB 1 25 PHE H 3.000 . 3.300 2.326 2.036 2.622 . 0 0 "[ . 1 . 2 . 3 ]" 1
282 1 25 PHE H 1 25 PHE HA 2.500 . 2.700 2.900 2.781 2.964 0.264 2 0 "[ . 1 . 2 . 3 ]" 1
283 1 25 PHE H 1 25 PHE QB 3.000 . 3.300 2.209 2.108 2.437 . 0 0 "[ . 1 . 2 . 3 ]" 1
284 1 25 PHE H 1 25 PHE QD 4.000 . 5.000 4.150 4.097 4.276 . 0 0 "[ . 1 . 2 . 3 ]" 1
285 1 25 PHE HA 1 25 PHE QD 2.500 . 2.700 2.210 2.027 2.423 . 0 0 "[ . 1 . 2 . 3 ]" 1
286 1 25 PHE HA 1 26 LYS H 3.000 . 3.300 2.827 2.473 3.491 0.191 24 0 "[ . 1 . 2 . 3 ]" 1
287 1 25 PHE QB 1 25 PHE QD 2.500 . 2.700 2.169 2.152 2.184 . 0 0 "[ . 1 . 2 . 3 ]" 1
288 1 25 PHE QB 1 26 LYS H 4.000 . 5.000 3.614 2.074 4.057 . 0 0 "[ . 1 . 2 . 3 ]" 1
289 1 25 PHE QD 1 26 LYS H 4.000 . 5.000 4.013 2.275 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
290 1 25 PHE QE 1 27 GLY QA 4.000 . 5.000 3.837 3.050 4.051 . 0 0 "[ . 1 . 2 . 3 ]" 1
291 1 26 LYS H 1 26 LYS HA 3.000 . 3.300 2.862 2.777 2.950 . 0 0 "[ . 1 . 2 . 3 ]" 1
292 1 26 LYS H 1 26 LYS QB 2.500 . 2.700 2.248 2.012 2.657 . 0 0 "[ . 1 . 2 . 3 ]" 1
293 1 26 LYS H 1 26 LYS QG 3.000 . 3.300 2.652 1.946 3.097 . 0 0 "[ . 1 . 2 . 3 ]" 1
294 1 26 LYS H 1 27 GLY H 3.000 . 3.300 2.638 1.959 2.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
295 1 26 LYS HA 1 27 GLY H 3.000 . 3.300 3.477 3.439 3.529 0.229 18 0 "[ . 1 . 2 . 3 ]" 1
296 1 26 LYS QB 1 27 GLY H 3.000 . 3.300 2.746 1.896 3.180 . 0 0 "[ . 1 . 2 . 3 ]" 1
297 1 27 GLY H 1 27 GLY QA 2.500 . 2.700 2.303 2.226 2.489 . 0 0 "[ . 1 . 2 . 3 ]" 1
298 1 27 GLY H 1 28 ARG H 3.000 . 3.300 2.905 2.089 3.357 0.057 10 0 "[ . 1 . 2 . 3 ]" 1
299 1 27 GLY QA 1 28 ARG H 3.000 . 3.300 2.591 2.213 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
300 1 28 ARG H 1 28 ARG QB 3.000 . 3.300 2.349 1.983 2.970 . 0 0 "[ . 1 . 2 . 3 ]" 1
301 1 28 ARG H 1 28 ARG QD 4.000 . 5.000 4.142 2.172 4.500 . 0 0 "[ . 1 . 2 . 3 ]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 9, 2024 8:52:45 PM GMT (wattos1)