NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
407006 |
1y03   |
6427 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1y03
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 401
_Distance_constraint_stats_list.Viol_count 550
_Distance_constraint_stats_list.Viol_total 1011.878
_Distance_constraint_stats_list.Viol_max 0.745
_Distance_constraint_stats_list.Viol_rms 0.0401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0063
_Distance_constraint_stats_list.Viol_average_violations_only 0.0920
_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 SER 0.237 0.077 5 0 "[ . 1 . 2]"
1 3 MET 2.451 0.472 4 0 "[ . 1 . 2]"
1 4 ASN 2.420 0.388 11 0 "[ . 1 . 2]"
1 5 ALA 2.206 0.262 19 0 "[ . 1 . 2]"
1 6 PRO 7.997 0.657 17 4 "[ *- *1 . + 2]"
1 7 ALA 3.194 0.388 11 0 "[ . 1 . 2]"
1 8 ARG 3.486 0.380 13 0 "[ . 1 . 2]"
1 9 ALA 3.233 0.657 17 4 "[ *- *1 . + 2]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LYS 8.137 0.681 16 6 "[ . 1 - .+****]"
1 13 THR 4.283 0.745 6 1 "[ .+ 1 . 2]"
1 14 ALA 1.244 0.132 18 0 "[ . 1 . 2]"
1 15 ALA 0.282 0.055 7 0 "[ . 1 . 2]"
1 16 ASP 3.909 0.745 6 1 "[ .+ 1 . 2]"
1 17 ALA 1.687 0.337 15 0 "[ . 1 . 2]"
1 18 LEU 2.533 0.175 13 0 "[ . 1 . 2]"
1 19 ALA 0.483 0.055 7 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.066 0.021 9 0 "[ . 1 . 2]"
1 22 LYS 5.945 0.566 15 3 "[ . 1 - + *]"
1 23 LYS 3.738 0.192 2 0 "[ . 1 . 2]"
1 24 THR 11.196 0.367 6 0 "[ . 1 . 2]"
1 25 ALA 0.219 0.052 14 0 "[ . 1 . 2]"
1 26 ALA 1.044 0.152 14 0 "[ . 1 . 2]"
1 27 ASP 2.595 0.271 16 0 "[ . 1 . 2]"
1 28 ALA 0.597 0.086 4 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.008 0.008 6 0 "[ . 1 . 2]"
1 31 ALA 1.967 0.228 12 0 "[ . 1 . 2]"
1 32 ALA 2.389 0.228 12 0 "[ . 1 . 2]"
1 33 ALA 0.420 0.116 8 0 "[ . 1 . 2]"
1 34 ALA 0.043 0.029 14 0 "[ . 1 . 2]"
1 35 ALA 0.045 0.027 19 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER H 1 2 SER QB 2.700 . 3.600 2.904 2.676 3.393 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 2 SER QB 3.700 . 5.400 2.199 2.152 2.350 . 0 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 3 MET H 2.600 . 3.400 2.678 2.213 3.437 0.037 2 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 4 ASN H 3.000 . 4.100 3.598 2.889 4.177 0.077 5 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 MET H 3.200 . 4.500 3.558 1.832 3.952 0.068 4 0 "[ . 1 . 2]" 1
6 1 3 MET H 1 3 MET HA 2.800 . 3.800 2.880 2.259 2.956 . 0 0 "[ . 1 . 2]" 1
7 1 3 MET H 1 3 MET HB2 3.100 . 4.300 2.709 2.198 3.877 . 0 0 "[ . 1 . 2]" 1
8 1 3 MET H 1 3 MET HB3 2.600 . 3.500 3.017 2.519 3.972 0.472 4 0 "[ . 1 . 2]" 1
9 1 3 MET H 1 3 MET HG2 3.300 . 4.700 4.413 2.318 5.043 0.343 3 0 "[ . 1 . 2]" 1
10 1 3 MET H 1 3 MET HG3 3.600 . 5.200 4.490 3.250 5.168 . 0 0 "[ . 1 . 2]" 1
11 1 3 MET H 1 4 ASN H 3.400 . 4.800 2.436 2.026 3.532 . 0 0 "[ . 1 . 2]" 1
12 1 3 MET HA 1 3 MET HB2 2.900 . 3.900 2.660 2.441 2.981 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET HA 1 3 MET HB3 2.700 . 3.600 2.924 2.382 3.027 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET HA 1 3 MET HG2 3.700 . 5.400 2.779 2.058 3.668 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET HA 1 3 MET HG3 3.200 . 4.500 2.985 2.101 4.162 . 0 0 "[ . 1 . 2]" 1
16 1 3 MET HA 1 4 ASN H 3.100 . 4.300 3.137 2.473 3.558 . 0 0 "[ . 1 . 2]" 1
17 1 3 MET HA 1 8 ARG HD2 4.000 . 6.000 3.580 1.983 5.827 0.017 13 0 "[ . 1 . 2]" 1
18 1 3 MET HB2 1 4 ASN H 3.100 . 4.300 4.094 3.169 4.621 0.321 2 0 "[ . 1 . 2]" 1
19 1 3 MET HB3 1 4 ASN H 3.500 . 5.000 3.582 2.179 4.610 . 0 0 "[ . 1 . 2]" 1
20 1 3 MET HG2 1 4 ASN H 4.800 . 6.000 4.888 3.826 5.932 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET HG3 1 4 ASN H 4.700 . 6.000 5.180 4.587 5.843 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASN H 1 4 ASN HA 2.500 . 3.300 2.883 2.812 2.944 . 0 0 "[ . 1 . 2]" 1
23 1 4 ASN H 1 4 ASN QB 2.600 . 3.500 2.534 2.082 3.121 . 0 0 "[ . 1 . 2]" 1
24 1 4 ASN H 1 4 ASN HD21 4.100 . 6.000 4.396 2.525 5.187 . 0 0 "[ . 1 . 2]" 1
25 1 4 ASN H 1 4 ASN HD22 4.100 . 6.000 4.921 2.964 6.129 0.129 17 0 "[ . 1 . 2]" 1
26 1 4 ASN HA 1 4 ASN QB 2.500 . 3.100 2.368 2.154 2.535 . 0 0 "[ . 1 . 2]" 1
27 1 4 ASN HA 1 4 ASN HD21 4.100 . 6.000 3.845 2.032 4.634 . 0 0 "[ . 1 . 2]" 1
28 1 4 ASN HA 1 5 ALA H 2.100 . 2.700 2.262 2.108 2.574 . 0 0 "[ . 1 . 2]" 1
29 1 4 ASN QB 1 4 ASN HD21 2.800 . 3.800 2.179 2.087 2.614 . 0 0 "[ . 1 . 2]" 1
30 1 4 ASN QB 1 4 ASN HD22 3.400 . 4.900 3.241 3.205 3.427 . 0 0 "[ . 1 . 2]" 1
31 1 4 ASN QB 1 5 ALA H 2.800 . 3.800 3.014 2.187 3.585 . 0 0 "[ . 1 . 2]" 1
32 1 4 ASN QB 1 6 PRO HD2 4.200 . 4.800 2.443 1.873 3.528 0.127 18 0 "[ . 1 . 2]" 1
33 1 4 ASN QB 1 6 PRO HD3 4.300 . 6.000 4.022 3.331 5.011 . 0 0 "[ . 1 . 2]" 1
34 1 4 ASN QB 1 7 ALA H 2.600 . 3.500 2.809 2.329 3.510 0.010 13 0 "[ . 1 . 2]" 1
35 1 4 ASN QB 1 7 ALA MB 3.100 . 4.300 2.489 1.512 3.707 0.388 11 0 "[ . 1 . 2]" 1
36 1 4 ASN HD21 1 7 ALA MB 3.800 . 5.600 4.256 2.834 5.519 . 0 0 "[ . 1 . 2]" 1
37 1 5 ALA H 1 5 ALA HA 2.400 . 3.100 2.810 2.779 2.880 . 0 0 "[ . 1 . 2]" 1
38 1 5 ALA H 1 5 ALA MB 2.100 . 2.700 2.141 2.030 2.257 . 0 0 "[ . 1 . 2]" 1
39 1 5 ALA H 1 6 PRO HD2 2.800 . 3.800 2.335 2.000 2.711 . 0 0 "[ . 1 . 2]" 1
40 1 5 ALA H 1 6 PRO HD3 2.800 . 3.800 2.925 2.566 3.221 . 0 0 "[ . 1 . 2]" 1
41 1 5 ALA HA 1 5 ALA MB 2.100 . 2.600 2.098 2.072 2.122 . 0 0 "[ . 1 . 2]" 1
42 1 5 ALA HA 1 6 PRO HD2 3.000 . 4.200 3.974 3.814 4.208 0.008 16 0 "[ . 1 . 2]" 1
43 1 5 ALA HA 1 6 PRO HD3 2.900 . 4.000 4.082 3.852 4.262 0.262 19 0 "[ . 1 . 2]" 1
44 1 5 ALA HA 1 8 ARG H 3.500 . 5.000 3.653 3.326 4.042 . 0 0 "[ . 1 . 2]" 1
45 1 5 ALA HA 1 8 ARG HB2 3.000 . 4.100 3.364 2.532 4.141 0.041 13 0 "[ . 1 . 2]" 1
46 1 5 ALA HA 1 8 ARG HE 4.200 . 6.000 4.253 2.795 5.992 . 0 0 "[ . 1 . 2]" 1
47 1 5 ALA MB 1 6 PRO HA 4.200 . 6.000 3.837 3.747 3.948 . 0 0 "[ . 1 . 2]" 1
48 1 5 ALA MB 1 6 PRO HD2 2.600 . 3.400 2.938 2.717 3.192 . 0 0 "[ . 1 . 2]" 1
49 1 5 ALA MB 1 6 PRO HD3 2.300 . 3.000 2.040 1.797 2.375 . 0 0 "[ . 1 . 2]" 1
50 1 6 PRO HA 1 6 PRO HB3 2.500 . 3.300 2.289 2.239 2.313 . 0 0 "[ . 1 . 2]" 1
51 1 6 PRO HA 1 6 PRO HD2 3.200 . 4.500 4.012 3.912 4.087 . 0 0 "[ . 1 . 2]" 1
52 1 6 PRO HA 1 6 PRO HD3 3.100 . 4.300 3.585 3.488 3.777 . 0 0 "[ . 1 . 2]" 1
53 1 6 PRO HA 1 6 PRO HG2 3.000 . 4.100 3.884 3.848 4.019 . 0 0 "[ . 1 . 2]" 1
54 1 6 PRO HA 1 6 PRO HG3 3.100 . 4.300 3.531 2.838 4.022 . 0 0 "[ . 1 . 2]" 1
55 1 6 PRO HA 1 7 ALA H 2.600 . 3.500 3.477 3.340 3.553 0.053 9 0 "[ . 1 . 2]" 1
56 1 6 PRO HA 1 9 ALA MB 2.600 . 3.400 2.302 1.801 2.869 . 0 0 "[ . 1 . 2]" 1
57 1 6 PRO HA 1 10 ALA H 3.900 . 5.800 4.757 3.739 5.744 . 0 0 "[ . 1 . 2]" 1
58 1 6 PRO HB2 1 6 PRO HD2 3.100 . 4.300 3.554 2.915 4.039 . 0 0 "[ . 1 . 2]" 1
59 1 6 PRO HB2 1 6 PRO HD3 2.900 . 4.000 3.892 3.831 3.967 . 0 0 "[ . 1 . 2]" 1
60 1 6 PRO HB2 1 6 PRO HG2 2.400 . 3.100 2.314 2.277 2.338 . 0 0 "[ . 1 . 2]" 1
61 1 6 PRO HB2 1 6 PRO HG3 2.400 . 3.100 2.813 2.657 3.000 . 0 0 "[ . 1 . 2]" 1
62 1 6 PRO HB2 1 7 ALA H 2.900 . 3.900 3.192 2.538 3.858 . 0 0 "[ . 1 . 2]" 1
63 1 6 PRO HB2 1 9 ALA MB 3.100 . 4.300 4.335 3.535 4.957 0.657 17 4 "[ *- *1 . + 2]" 1
64 1 6 PRO HB3 1 6 PRO HD2 3.000 . 4.100 3.892 3.853 3.944 . 0 0 "[ . 1 . 2]" 1
65 1 6 PRO HB3 1 6 PRO HD3 2.800 . 3.800 3.460 2.939 4.045 0.245 9 0 "[ . 1 . 2]" 1
66 1 6 PRO HB3 1 6 PRO HG2 2.800 . 3.800 2.837 2.639 2.989 . 0 0 "[ . 1 . 2]" 1
67 1 6 PRO HB3 1 6 PRO HG3 2.400 . 3.100 2.312 2.260 2.331 . 0 0 "[ . 1 . 2]" 1
68 1 6 PRO HB3 1 7 ALA H 3.200 . 4.500 4.173 3.908 4.462 . 0 0 "[ . 1 . 2]" 1
69 1 6 PRO HB3 1 7 ALA MB 3.100 . 4.300 3.870 3.155 4.226 . 0 0 "[ . 1 . 2]" 1
70 1 6 PRO HD2 1 6 PRO HG2 2.500 . 3.300 2.298 2.280 2.309 . 0 0 "[ . 1 . 2]" 1
71 1 6 PRO HD2 1 6 PRO HG3 2.500 . 3.300 2.827 2.682 2.984 . 0 0 "[ . 1 . 2]" 1
72 1 6 PRO HD2 1 7 ALA H 2.800 . 3.800 2.849 2.666 3.125 . 0 0 "[ . 1 . 2]" 1
73 1 6 PRO HD3 1 6 PRO HG2 2.400 . 3.100 2.855 2.692 2.989 . 0 0 "[ . 1 . 2]" 1
74 1 6 PRO HD3 1 6 PRO HG3 2.400 . 3.100 2.299 2.265 2.316 . 0 0 "[ . 1 . 2]" 1
75 1 6 PRO HD3 1 7 ALA H 3.400 . 4.800 3.993 3.838 4.229 . 0 0 "[ . 1 . 2]" 1
76 1 6 PRO HG2 1 7 ALA H 3.500 . 5.000 3.416 2.521 4.449 . 0 0 "[ . 1 . 2]" 1
77 1 6 PRO HG3 1 7 ALA H 3.800 . 5.600 4.398 3.992 4.823 . 0 0 "[ . 1 . 2]" 1
78 1 7 ALA H 1 7 ALA HA 2.800 . 3.800 2.841 2.806 2.879 . 0 0 "[ . 1 . 2]" 1
79 1 7 ALA H 1 7 ALA MB 2.600 . 3.400 2.139 2.044 2.242 . 0 0 "[ . 1 . 2]" 1
80 1 7 ALA HA 1 7 ALA MB 1.900 . 2.400 1.874 1.860 1.894 . 0 0 "[ . 1 . 2]" 1
81 1 7 ALA HA 1 8 ARG H 2.500 . 3.300 3.421 3.335 3.478 0.178 19 0 "[ . 1 . 2]" 1
82 1 7 ALA MB 1 8 ARG H 2.400 . 3.100 2.884 2.621 3.115 0.015 16 0 "[ . 1 . 2]" 1
83 1 7 ALA MB 1 8 ARG HE 3.700 . 5.500 4.834 2.694 5.535 0.035 15 0 "[ . 1 . 2]" 1
84 1 8 ARG H 1 8 ARG HB2 2.800 . 3.800 2.459 2.078 3.241 . 0 0 "[ . 1 . 2]" 1
85 1 8 ARG H 1 8 ARG QD 3.700 . 5.400 3.809 2.717 5.031 . 0 0 "[ . 1 . 2]" 1
86 1 8 ARG H 1 8 ARG HG3 2.600 . 3.500 3.020 1.970 3.582 0.082 14 0 "[ . 1 . 2]" 1
87 1 8 ARG HA 1 8 ARG QB 2.300 . 3.000 2.398 2.166 2.541 . 0 0 "[ . 1 . 2]" 1
88 1 8 ARG HA 1 8 ARG QD 3.100 . 4.300 3.811 2.606 4.217 . 0 0 "[ . 1 . 2]" 1
89 1 8 ARG HA 1 8 ARG HE 4.500 . 6.000 4.931 3.645 6.008 0.008 6 0 "[ . 1 . 2]" 1
90 1 8 ARG HA 1 8 ARG HG2 2.400 . 3.100 2.818 2.208 3.480 0.380 13 0 "[ . 1 . 2]" 1
91 1 8 ARG QB 1 8 ARG QD 2.300 . 3.000 2.146 1.882 2.532 . 0 0 "[ . 1 . 2]" 1
92 1 8 ARG QB 1 8 ARG HE 3.000 . 4.100 3.320 1.776 4.114 0.124 15 0 "[ . 1 . 2]" 1
93 1 8 ARG QB 1 8 ARG HG2 2.600 . 3.400 2.297 2.137 2.526 . 0 0 "[ . 1 . 2]" 1
94 1 8 ARG QB 1 9 ALA H 2.800 . 3.800 3.085 2.510 3.801 0.001 13 0 "[ . 1 . 2]" 1
95 1 8 ARG QB 1 10 ALA H 3.500 . 5.000 4.497 4.111 4.951 . 0 0 "[ . 1 . 2]" 1
96 1 8 ARG QD 1 8 ARG HE 2.500 . 3.300 2.374 2.190 2.496 . 0 0 "[ . 1 . 2]" 1
97 1 8 ARG QD 1 8 ARG HG2 2.300 . 3.000 2.242 2.137 2.526 . 0 0 "[ . 1 . 2]" 1
98 1 8 ARG QD 1 8 ARG HG3 2.400 . 3.100 2.377 2.151 2.530 . 0 0 "[ . 1 . 2]" 1
99 1 8 ARG HE 1 8 ARG HG2 3.700 . 5.400 3.289 2.204 3.804 . 0 0 "[ . 1 . 2]" 1
100 1 8 ARG HE 1 8 ARG HG3 3.400 . 4.800 2.713 2.119 3.667 . 0 0 "[ . 1 . 2]" 1
101 1 8 ARG HE 1 8 ARG HH21 3.200 . 4.400 2.280 2.245 2.302 . 0 0 "[ . 1 . 2]" 1
102 1 9 ALA H 1 9 ALA HA 2.500 . 3.300 2.851 2.794 2.941 . 0 0 "[ . 1 . 2]" 1
103 1 9 ALA H 1 9 ALA MB 2.800 . 3.800 2.153 2.028 2.282 . 0 0 "[ . 1 . 2]" 1
104 1 9 ALA H 1 10 ALA H 3.400 . 4.800 2.571 2.287 2.763 . 0 0 "[ . 1 . 2]" 1
105 1 10 ALA H 1 10 ALA HA 2.900 . 4.000 2.823 2.768 2.913 . 0 0 "[ . 1 . 2]" 1
106 1 10 ALA H 1 10 ALA MB 2.800 . 3.800 2.110 2.008 2.237 . 0 0 "[ . 1 . 2]" 1
107 1 10 ALA H 1 12 LYS HB2 4.100 . 6.000 4.932 3.989 5.454 . 0 0 "[ . 1 . 2]" 1
108 1 10 ALA HA 1 10 ALA MB 1.800 . 2.200 1.875 1.856 1.891 . 0 0 "[ . 1 . 2]" 1
109 1 10 ALA HA 1 11 ALA H 2.900 . 4.000 3.468 3.307 3.572 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA H 1 11 ALA MB 2.500 . 3.300 2.223 2.028 2.434 . 0 0 "[ . 1 . 2]" 1
111 1 11 ALA HA 1 12 LYS H 2.900 . 3.900 3.335 3.062 3.539 . 0 0 "[ . 1 . 2]" 1
112 1 11 ALA MB 1 12 LYS H 3.200 . 4.400 3.092 2.648 3.488 . 0 0 "[ . 1 . 2]" 1
113 1 12 LYS H 1 12 LYS HA 2.400 . 3.100 2.814 2.586 2.931 . 0 0 "[ . 1 . 2]" 1
114 1 12 LYS H 1 12 LYS HB2 2.500 . 3.300 2.307 2.070 2.800 . 0 0 "[ . 1 . 2]" 1
115 1 12 LYS H 1 12 LYS HB3 2.500 . 3.300 2.863 2.271 3.228 . 0 0 "[ . 1 . 2]" 1
116 1 12 LYS H 1 12 LYS HD2 4.300 . 6.000 5.013 4.155 5.756 . 0 0 "[ . 1 . 2]" 1
117 1 12 LYS H 1 12 LYS HD3 4.300 . 6.000 5.116 4.667 5.854 . 0 0 "[ . 1 . 2]" 1
118 1 12 LYS H 1 12 LYS HG2 3.200 . 4.500 4.200 3.723 4.573 0.073 6 0 "[ . 1 . 2]" 1
119 1 12 LYS H 1 13 THR H 2.800 . 3.800 2.734 2.166 3.605 . 0 0 "[ . 1 . 2]" 1
120 1 12 LYS HA 1 12 LYS HB2 2.300 . 3.000 2.630 2.312 2.843 . 0 0 "[ . 1 . 2]" 1
121 1 12 LYS HA 1 12 LYS HB3 2.400 . 3.100 2.960 2.845 3.023 . 0 0 "[ . 1 . 2]" 1
122 1 12 LYS HA 1 12 LYS HD2 3.200 . 4.500 3.972 1.883 4.641 0.141 8 0 "[ . 1 . 2]" 1
123 1 12 LYS HA 1 12 LYS HD3 3.200 . 4.500 3.821 2.502 4.546 0.046 11 0 "[ . 1 . 2]" 1
124 1 12 LYS HA 1 12 LYS QE 3.700 . 5.400 4.033 2.319 5.083 . 0 0 "[ . 1 . 2]" 1
125 1 12 LYS HA 1 12 LYS HG3 2.300 . 2.900 3.227 2.684 3.581 0.681 16 6 "[ . 1 - .+****]" 1
126 1 12 LYS HA 1 13 THR H 6.000 . 6.000 3.532 3.357 3.579 . 0 0 "[ . 1 . 2]" 1
127 1 12 LYS HA 1 15 ALA H 3.900 . 5.800 3.890 3.529 4.816 . 0 0 "[ . 1 . 2]" 1
128 1 12 LYS HA 1 15 ALA H 6.000 . 6.000 4.045 3.580 5.769 . 0 0 "[ . 1 . 2]" 1
129 1 12 LYS HA 1 15 ALA MB 3.900 . 5.800 3.586 3.048 4.981 . 0 0 "[ . 1 . 2]" 1
130 1 12 LYS HA 1 16 ASP H 3.300 . 4.700 4.209 3.993 4.617 . 0 0 "[ . 1 . 2]" 1
131 1 12 LYS HB2 1 12 LYS HD2 4.300 . 6.000 3.298 2.005 4.076 . 0 0 "[ . 1 . 2]" 1
132 1 12 LYS HB2 1 12 LYS HD3 3.300 . 4.600 3.579 2.581 4.204 . 0 0 "[ . 1 . 2]" 1
133 1 12 LYS HB2 1 12 LYS QE 4.700 . 6.000 3.911 3.182 4.259 . 0 0 "[ . 1 . 2]" 1
134 1 12 LYS HB2 1 12 LYS HG2 2.700 . 3.600 2.742 2.401 2.988 . 0 0 "[ . 1 . 2]" 1
135 1 12 LYS HB2 1 12 LYS HG3 2.600 . 3.400 2.331 2.193 3.005 . 0 0 "[ . 1 . 2]" 1
136 1 12 LYS HB2 1 13 THR H 3.100 . 4.300 3.507 3.022 4.138 . 0 0 "[ . 1 . 2]" 1
137 1 12 LYS HB3 1 12 LYS QE 4.000 . 6.000 3.565 2.210 4.333 . 0 0 "[ . 1 . 2]" 1
138 1 12 LYS HB3 1 12 LYS HG2 2.900 . 3.900 2.806 2.215 3.010 . 0 0 "[ . 1 . 2]" 1
139 1 12 LYS HB3 1 13 THR H 3.000 . 4.100 2.549 1.890 3.320 0.010 7 0 "[ . 1 . 2]" 1
140 1 12 LYS HD2 1 12 LYS QE 3.000 . 4.100 2.237 2.136 2.526 . 0 0 "[ . 1 . 2]" 1
141 1 12 LYS HD2 1 12 LYS HG2 3.000 . 4.100 2.886 2.576 3.016 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS HD2 1 12 LYS QZ 4.000 . 6.000 2.698 1.986 3.168 0.014 6 0 "[ . 1 . 2]" 1
143 1 12 LYS HD2 1 13 THR H 4.000 . 6.000 4.724 2.973 6.021 0.021 3 0 "[ . 1 . 2]" 1
144 1 12 LYS HD3 1 12 LYS QZ 3.800 . 5.600 2.228 1.954 2.873 0.046 8 0 "[ . 1 . 2]" 1
145 1 12 LYS HD3 1 13 THR H 4.300 . 6.000 4.518 3.114 6.035 0.035 6 0 "[ . 1 . 2]" 1
146 1 12 LYS QE 1 12 LYS HG2 2.500 . 3.300 2.586 1.927 3.489 0.189 16 0 "[ . 1 . 2]" 1
147 1 12 LYS QE 1 12 LYS HG3 3.300 . 4.700 2.476 1.980 3.106 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS HG2 1 13 THR H 3.700 . 5.400 4.489 3.551 5.441 0.041 6 0 "[ . 1 . 2]" 1
149 1 12 LYS HG3 1 13 THR H 3.600 . 5.200 4.849 3.245 5.276 0.076 20 0 "[ . 1 . 2]" 1
150 1 12 LYS HG3 1 16 ASP HB3 3.100 . 4.300 3.522 3.010 4.277 . 0 0 "[ . 1 . 2]" 1
151 1 13 THR H 1 13 THR HA 2.900 . 3.900 2.779 2.641 2.940 . 0 0 "[ . 1 . 2]" 1
152 1 13 THR H 1 13 THR HB 2.700 . 3.600 3.128 2.829 3.421 . 0 0 "[ . 1 . 2]" 1
153 1 13 THR H 1 13 THR MG 3.400 . 4.800 3.427 2.917 3.881 . 0 0 "[ . 1 . 2]" 1
154 1 13 THR H 1 16 ASP H 3.400 . 4.800 4.525 3.903 4.814 0.014 18 0 "[ . 1 . 2]" 1
155 1 13 THR H 1 16 ASP HB2 3.000 . 4.100 4.172 3.895 4.496 0.396 15 0 "[ . 1 . 2]" 1
156 1 13 THR HA 1 13 THR HB 2.700 . 3.600 2.906 2.714 3.004 . 0 0 "[ . 1 . 2]" 1
157 1 13 THR HA 1 13 THR MG 2.300 . 2.900 2.062 1.903 2.246 . 0 0 "[ . 1 . 2]" 1
158 1 13 THR HA 1 14 ALA H 2.700 . 3.600 3.516 3.460 3.603 0.003 11 0 "[ . 1 . 2]" 1
159 1 13 THR HA 1 16 ASP HB2 3.500 . 5.000 2.480 2.034 3.899 . 0 0 "[ . 1 . 2]" 1
160 1 13 THR HA 1 16 ASP HB3 3.200 . 4.500 2.646 1.953 3.224 . 0 0 "[ . 1 . 2]" 1
161 1 13 THR HB 1 13 THR MG 2.000 . 2.500 2.110 2.087 2.136 . 0 0 "[ . 1 . 2]" 1
162 1 13 THR HB 1 14 ALA H 2.600 . 3.400 2.926 2.353 3.433 0.033 8 0 "[ . 1 . 2]" 1
163 1 13 THR HB 1 16 ASP HB3 4.600 . 6.000 5.081 4.357 5.822 . 0 0 "[ . 1 . 2]" 1
164 1 13 THR MG 1 14 ALA H 3.000 . 4.100 4.120 3.660 4.232 0.132 18 0 "[ . 1 . 2]" 1
165 1 13 THR MG 1 15 ALA H 4.000 . 6.000 5.799 5.533 5.992 . 0 0 "[ . 1 . 2]" 1
166 1 13 THR MG 1 16 ASP H 3.700 . 5.400 4.808 4.406 5.326 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR MG 1 16 ASP HB2 3.300 . 4.700 3.987 3.496 5.445 0.745 6 1 "[ .+ 1 . 2]" 1
168 1 13 THR MG 1 16 ASP HB3 3.700 . 5.400 3.521 2.820 4.431 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR MG 1 17 ALA H 3.500 . 5.000 4.315 3.547 5.013 0.013 11 0 "[ . 1 . 2]" 1
170 1 14 ALA H 1 14 ALA HA 2.900 . 3.900 2.826 2.802 2.851 . 0 0 "[ . 1 . 2]" 1
171 1 14 ALA H 1 14 ALA MB 2.600 . 3.500 2.156 2.041 2.252 . 0 0 "[ . 1 . 2]" 1
172 1 14 ALA HA 1 14 ALA MB 1.800 . 2.200 1.842 1.772 1.881 . 0 0 "[ . 1 . 2]" 1
173 1 14 ALA HA 1 15 ALA H 6.000 . 6.000 3.561 3.543 3.576 . 0 0 "[ . 1 . 2]" 1
174 1 14 ALA MB 1 15 ALA H 2.500 . 3.300 2.295 2.093 2.619 . 0 0 "[ . 1 . 2]" 1
175 1 15 ALA H 1 15 ALA HA 2.700 . 3.600 2.836 2.816 2.877 . 0 0 "[ . 1 . 2]" 1
176 1 15 ALA H 1 15 ALA MB 2.500 . 3.300 2.120 2.024 2.260 . 0 0 "[ . 1 . 2]" 1
177 1 15 ALA H 1 16 ASP H 3.000 . 4.100 2.541 2.408 2.627 . 0 0 "[ . 1 . 2]" 1
178 1 15 ALA H 1 16 ASP HA 3.900 . 5.800 5.150 5.032 5.241 . 0 0 "[ . 1 . 2]" 1
179 1 15 ALA H 1 16 ASP HB2 3.600 . 5.200 4.448 4.307 4.867 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA H 1 16 ASP HB3 4.100 . 6.000 5.333 4.774 5.692 . 0 0 "[ . 1 . 2]" 1
181 1 15 ALA H 1 18 LEU H 5.200 . 6.000 4.845 4.646 5.115 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA H 1 18 LEU MD1 4.200 . 6.000 4.525 3.707 5.166 . 0 0 "[ . 1 . 2]" 1
183 1 15 ALA HA 1 16 ASP H 2.900 . 4.000 3.457 3.420 3.490 . 0 0 "[ . 1 . 2]" 1
184 1 15 ALA MB 1 16 ASP H 2.500 . 3.300 2.891 2.768 3.070 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA MB 1 16 ASP HB2 3.200 . 4.500 3.367 3.277 3.491 . 0 0 "[ . 1 . 2]" 1
186 1 15 ALA MB 1 16 ASP HB2 3.000 . 4.100 3.948 3.768 4.077 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA MB 1 18 LEU MD1 2.600 . 3.500 3.425 2.717 3.555 0.055 7 0 "[ . 1 . 2]" 1
188 1 15 ALA MB 1 18 LEU MD2 2.800 . 3.800 3.375 2.893 3.810 0.010 7 0 "[ . 1 . 2]" 1
189 1 16 ASP H 1 16 ASP HA 2.300 . 3.000 2.837 2.809 2.864 . 0 0 "[ . 1 . 2]" 1
190 1 16 ASP H 1 16 ASP HB2 2.400 . 3.100 2.202 2.029 2.611 . 0 0 "[ . 1 . 2]" 1
191 1 16 ASP H 1 16 ASP HB3 2.400 . 3.100 2.960 2.456 3.235 0.135 13 0 "[ . 1 . 2]" 1
192 1 16 ASP H 1 17 ALA H 2.400 . 3.100 2.599 2.452 2.839 . 0 0 "[ . 1 . 2]" 1
193 1 16 ASP H 1 18 LEU H 3.300 . 4.600 3.919 3.762 4.231 . 0 0 "[ . 1 . 2]" 1
194 1 16 ASP H 1 19 ALA H 3.400 . 4.800 4.640 4.481 4.752 . 0 0 "[ . 1 . 2]" 1
195 1 16 ASP HA 1 16 ASP HB2 2.400 . 3.100 2.707 2.434 2.874 . 0 0 "[ . 1 . 2]" 1
196 1 16 ASP HA 1 16 ASP HB3 2.300 . 3.000 2.953 2.834 3.028 0.028 15 0 "[ . 1 . 2]" 1
197 1 16 ASP HA 1 17 ALA H 3.000 . 4.100 3.528 3.449 3.553 . 0 0 "[ . 1 . 2]" 1
198 1 16 ASP HA 1 18 LEU H 3.700 . 5.400 4.366 4.103 4.717 . 0 0 "[ . 1 . 2]" 1
199 1 16 ASP HA 1 19 ALA H 2.800 . 3.800 3.518 3.141 3.844 0.044 7 0 "[ . 1 . 2]" 1
200 1 16 ASP HA 1 19 ALA MB 2.300 . 3.000 2.676 2.187 3.033 0.033 14 0 "[ . 1 . 2]" 1
201 1 16 ASP HA 1 20 ALA H 3.900 . 5.800 4.389 3.864 4.778 . 0 0 "[ . 1 . 2]" 1
202 1 16 ASP HB2 1 17 ALA H 2.600 . 3.400 3.386 3.126 3.737 0.337 15 0 "[ . 1 . 2]" 1
203 1 16 ASP HB2 1 18 LEU H 4.400 . 6.000 5.432 5.148 5.699 . 0 0 "[ . 1 . 2]" 1
204 1 16 ASP HB2 1 19 ALA H 4.200 . 6.000 5.746 5.486 5.936 . 0 0 "[ . 1 . 2]" 1
205 1 16 ASP HB3 1 17 ALA H 2.700 . 3.600 2.575 2.081 3.312 . 0 0 "[ . 1 . 2]" 1
206 1 16 ASP HB3 1 17 ALA MB 2.900 . 4.000 3.374 3.203 3.550 . 0 0 "[ . 1 . 2]" 1
207 1 16 ASP HB3 1 18 LEU H 4.100 . 6.000 4.909 4.560 5.429 . 0 0 "[ . 1 . 2]" 1
208 1 16 ASP HB3 1 19 ALA H 4.800 . 6.000 5.454 5.197 5.709 . 0 0 "[ . 1 . 2]" 1
209 1 17 ALA H 1 17 ALA HA 2.700 . 3.600 2.822 2.789 2.845 . 0 0 "[ . 1 . 2]" 1
210 1 17 ALA H 1 17 ALA MB 2.300 . 2.900 2.106 2.019 2.229 . 0 0 "[ . 1 . 2]" 1
211 1 17 ALA H 1 18 LEU H 2.500 . 3.300 2.616 2.512 2.764 . 0 0 "[ . 1 . 2]" 1
212 1 17 ALA H 1 18 LEU HB2 3.600 . 5.300 4.370 4.216 4.696 . 0 0 "[ . 1 . 2]" 1
213 1 17 ALA H 1 18 LEU MD1 4.300 . 6.000 5.453 4.711 5.717 . 0 0 "[ . 1 . 2]" 1
214 1 17 ALA H 1 18 LEU MD2 4.200 . 6.000 5.172 4.557 5.685 . 0 0 "[ . 1 . 2]" 1
215 1 17 ALA H 1 18 LEU HG 3.200 . 4.500 4.471 3.631 4.581 0.081 16 0 "[ . 1 . 2]" 1
216 1 17 ALA HA 1 17 ALA MB 1.900 . 2.300 1.752 1.738 1.768 . 0 0 "[ . 1 . 2]" 1
217 1 17 ALA HA 1 18 LEU H 6.000 . 6.000 3.519 3.494 3.549 . 0 0 "[ . 1 . 2]" 1
218 1 17 ALA MB 1 18 LEU H 2.400 . 3.100 2.659 2.421 2.814 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU H 1 18 LEU HB2 2.500 . 3.300 2.436 2.342 3.009 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU H 1 18 LEU HB3 2.800 . 3.800 3.575 3.558 3.595 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU H 1 18 LEU MD1 3.000 . 4.200 3.746 3.279 3.949 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU H 1 18 LEU MD2 3.100 . 4.300 3.275 2.890 3.697 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU H 1 18 LEU HG 2.500 . 3.300 2.421 1.660 2.574 0.040 13 0 "[ . 1 . 2]" 1
224 1 18 LEU H 1 19 ALA H 6.000 . 6.000 2.647 2.528 2.797 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HA 1 18 LEU HB2 2.400 . 3.100 3.009 2.950 3.021 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HA 1 18 LEU HB3 2.300 . 3.000 2.506 2.267 2.562 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HA 1 18 LEU MD1 3.000 . 4.100 3.783 3.672 4.041 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HA 1 18 LEU MD2 2.300 . 3.000 1.964 1.621 2.795 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HA 1 18 LEU HG 2.700 . 3.600 3.144 2.820 3.338 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU HA 1 19 ALA H 2.700 . 3.600 3.538 3.512 3.563 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HA 1 22 LYS H 3.800 . 5.600 3.672 3.390 3.884 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HB2 1 18 LEU MD1 2.600 . 3.500 2.408 2.156 2.555 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU HB2 1 18 LEU MD2 2.800 . 3.800 3.182 3.134 3.202 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU HB2 1 19 ALA H 3.300 . 4.600 2.583 2.415 2.880 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU HB3 1 18 LEU MD1 2.800 . 3.800 2.244 2.097 2.493 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU HB3 1 18 LEU MD2 2.300 . 3.000 2.417 2.077 2.595 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU HB3 1 19 ALA H 3.200 . 4.500 3.529 3.248 4.049 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD1 1 18 LEU HG 2.300 . 3.000 2.106 2.076 2.121 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU MD1 1 19 ALA H 3.600 . 5.200 4.530 3.900 4.673 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU MD1 1 22 LYS H 4.200 . 6.000 6.074 6.025 6.175 0.175 13 0 "[ . 1 . 2]" 1
241 1 18 LEU MD1 1 22 LYS QB 6.000 . 6.000 5.520 5.222 5.857 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU MD1 1 22 LYS QE 3.000 . 4.100 3.575 2.714 4.139 0.039 19 0 "[ . 1 . 2]" 1
243 1 18 LEU MD2 1 18 LEU HG 2.300 . 3.000 2.109 2.084 2.131 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU MD2 1 19 ALA H 3.500 . 5.100 4.576 4.462 4.850 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU MD2 1 22 LYS H 4.100 . 6.000 4.695 4.357 5.741 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU MD2 1 22 LYS QB 6.000 . 6.000 4.957 4.152 5.976 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU MD2 1 22 LYS QE 2.900 . 3.900 3.007 1.881 3.939 0.039 16 0 "[ . 1 . 2]" 1
248 1 18 LEU HG 1 19 ALA H 3.200 . 4.500 4.366 3.524 4.529 0.029 7 0 "[ . 1 . 2]" 1
249 1 19 ALA H 1 19 ALA HA 2.500 . 3.300 2.776 2.745 2.802 . 0 0 "[ . 1 . 2]" 1
250 1 19 ALA H 1 19 ALA MB 2.400 . 3.100 2.101 2.028 2.222 . 0 0 "[ . 1 . 2]" 1
251 1 19 ALA H 1 20 ALA H 2.300 . 3.000 2.808 2.690 2.965 . 0 0 "[ . 1 . 2]" 1
252 1 19 ALA H 1 22 LYS HB2 3.000 . 4.100 4.070 3.983 4.121 0.021 9 0 "[ . 1 . 2]" 1
253 1 19 ALA HA 1 19 ALA MB 2.100 . 2.600 2.100 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
254 1 19 ALA HA 1 20 ALA H 2.800 . 3.800 3.543 3.522 3.567 . 0 0 "[ . 1 . 2]" 1
255 1 19 ALA HA 1 21 ALA H 3.600 . 5.300 4.656 4.489 4.863 . 0 0 "[ . 1 . 2]" 1
256 1 19 ALA MB 1 20 ALA H 3.000 . 4.100 2.549 2.311 2.699 . 0 0 "[ . 1 . 2]" 1
257 1 20 ALA H 1 20 ALA MB 2.400 . 3.100 2.138 2.042 2.243 . 0 0 "[ . 1 . 2]" 1
258 1 20 ALA H 1 21 ALA H 2.700 . 3.600 2.612 2.529 2.696 . 0 0 "[ . 1 . 2]" 1
259 1 20 ALA H 1 22 LYS QB 3.900 . 5.800 5.041 4.867 5.270 . 0 0 "[ . 1 . 2]" 1
260 1 20 ALA H 1 23 LYS HB2 4.300 . 6.000 5.094 4.655 5.551 . 0 0 "[ . 1 . 2]" 1
261 1 20 ALA MB 1 21 ALA H 2.600 . 3.500 2.546 2.416 2.697 . 0 0 "[ . 1 . 2]" 1
262 1 21 ALA H 1 21 ALA HA 2.400 . 3.100 2.804 2.786 2.818 . 0 0 "[ . 1 . 2]" 1
263 1 21 ALA H 1 21 ALA MB 2.700 . 3.600 2.143 2.029 2.232 . 0 0 "[ . 1 . 2]" 1
264 1 21 ALA H 1 22 LYS H 2.500 . 3.300 2.757 2.678 2.979 . 0 0 "[ . 1 . 2]" 1
265 1 21 ALA H 1 23 LYS HB2 4.000 . 6.000 5.498 4.983 6.001 0.001 1 0 "[ . 1 . 2]" 1
266 1 21 ALA H 1 24 THR H 3.800 . 5.600 4.736 4.560 4.922 . 0 0 "[ . 1 . 2]" 1
267 1 21 ALA HA 1 21 ALA MB 2.300 . 3.000 2.107 2.079 2.127 . 0 0 "[ . 1 . 2]" 1
268 1 21 ALA HA 1 22 LYS H 3.400 . 4.900 3.554 3.528 3.590 . 0 0 "[ . 1 . 2]" 1
269 1 21 ALA HA 1 25 ALA H 6.000 . 6.000 4.082 3.942 4.312 . 0 0 "[ . 1 . 2]" 1
270 1 21 ALA MB 1 22 LYS H 2.300 . 3.000 2.571 2.236 2.781 . 0 0 "[ . 1 . 2]" 1
271 1 22 LYS H 1 22 LYS HA 2.200 . 2.800 2.836 2.722 2.862 0.062 15 0 "[ . 1 . 2]" 1
272 1 22 LYS H 1 22 LYS HB2 2.000 . 2.500 2.116 2.070 2.159 . 0 0 "[ . 1 . 2]" 1
273 1 22 LYS H 1 22 LYS QD 2.800 . 3.800 2.630 2.237 2.931 . 0 0 "[ . 1 . 2]" 1
274 1 22 LYS H 1 22 LYS QE 4.400 . 6.000 4.270 2.925 4.878 . 0 0 "[ . 1 . 2]" 1
275 1 22 LYS H 1 22 LYS HG3 2.900 . 3.900 4.034 3.814 4.466 0.566 15 3 "[ . 1 - + *]" 1
276 1 22 LYS H 1 23 LYS H 2.700 . 3.600 2.539 2.442 2.923 . 0 0 "[ . 1 . 2]" 1
277 1 22 LYS H 1 24 THR H 3.900 . 5.800 4.181 3.973 4.677 . 0 0 "[ . 1 . 2]" 1
278 1 22 LYS HA 1 22 LYS QB 2.100 . 2.600 2.517 2.495 2.533 . 0 0 "[ . 1 . 2]" 1
279 1 22 LYS HA 1 22 LYS QD 2.400 . 3.100 2.621 1.660 3.123 0.040 13 0 "[ . 1 . 2]" 1
280 1 22 LYS HA 1 22 LYS QE 3.300 . 4.700 4.105 3.481 4.659 . 0 0 "[ . 1 . 2]" 1
281 1 22 LYS HA 1 22 LYS HG2 2.900 . 3.900 3.502 3.395 3.621 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS HA 1 23 LYS H 2.600 . 3.500 3.509 3.465 3.534 0.034 11 0 "[ . 1 . 2]" 1
283 1 22 LYS HA 1 25 ALA H 3.700 . 5.500 3.400 3.140 3.648 . 0 0 "[ . 1 . 2]" 1
284 1 22 LYS HA 1 25 ALA MB 2.400 . 3.100 2.497 2.225 2.827 . 0 0 "[ . 1 . 2]" 1
285 1 22 LYS HA 1 26 ALA H 4.000 . 6.000 3.991 3.642 4.198 . 0 0 "[ . 1 . 2]" 1
286 1 22 LYS HB2 1 22 LYS HD2 2.400 . 3.100 2.294 2.002 2.772 . 0 0 "[ . 1 . 2]" 1
287 1 22 LYS HB2 1 22 LYS HE2 3.000 . 4.200 3.522 2.530 3.942 . 0 0 "[ . 1 . 2]" 1
288 1 22 LYS QB 1 22 LYS HG2 2.600 . 3.500 2.145 2.130 2.159 . 0 0 "[ . 1 . 2]" 1
289 1 22 LYS QB 1 23 LYS H 3.400 . 4.800 2.761 2.623 2.890 . 0 0 "[ . 1 . 2]" 1
290 1 22 LYS QB 1 25 ALA H 4.300 . 6.000 4.378 4.267 4.491 . 0 0 "[ . 1 . 2]" 1
291 1 22 LYS QD 1 22 LYS HG3 2.500 . 3.300 2.275 2.147 2.469 . 0 0 "[ . 1 . 2]" 1
292 1 22 LYS QD 1 22 LYS QZ 3.500 . 5.000 2.157 1.969 2.435 0.031 15 0 "[ . 1 . 2]" 1
293 1 22 LYS QE 1 22 LYS HG2 2.900 . 3.900 2.431 1.926 3.096 . 0 0 "[ . 1 . 2]" 1
294 1 22 LYS QE 1 22 LYS HG3 2.800 . 3.800 2.820 2.083 3.527 . 0 0 "[ . 1 . 2]" 1
295 1 22 LYS HG3 1 23 LYS H 3.600 . 5.200 5.020 4.912 5.252 0.052 20 0 "[ . 1 . 2]" 1
296 1 23 LYS H 1 23 LYS HA 2.600 . 3.400 2.815 2.776 2.841 . 0 0 "[ . 1 . 2]" 1
297 1 23 LYS H 1 23 LYS HB2 2.200 . 2.800 2.355 2.092 2.647 . 0 0 "[ . 1 . 2]" 1
298 1 23 LYS H 1 23 LYS HD2 4.200 . 6.000 5.001 3.594 5.865 . 0 0 "[ . 1 . 2]" 1
299 1 23 LYS H 1 23 LYS HD3 4.500 . 6.000 4.892 4.052 5.883 . 0 0 "[ . 1 . 2]" 1
300 1 23 LYS H 1 24 THR H 2.600 . 3.400 2.681 2.548 2.898 . 0 0 "[ . 1 . 2]" 1
301 1 23 LYS H 1 24 THR MG 3.800 . 5.600 5.596 5.216 5.769 0.169 13 0 "[ . 1 . 2]" 1
302 1 23 LYS HA 1 23 LYS HB2 2.400 . 3.100 2.567 2.396 2.747 . 0 0 "[ . 1 . 2]" 1
303 1 23 LYS HA 1 23 LYS HB3 2.400 . 3.100 3.006 2.937 3.030 . 0 0 "[ . 1 . 2]" 1
304 1 23 LYS HA 1 23 LYS QE 3.200 . 4.500 3.915 1.878 4.542 0.042 8 0 "[ . 1 . 2]" 1
305 1 23 LYS HA 1 24 THR H 6.000 . 6.000 3.535 3.516 3.549 . 0 0 "[ . 1 . 2]" 1
306 1 23 LYS HA 1 27 ASP H 4.100 . 6.000 3.992 3.846 4.150 . 0 0 "[ . 1 . 2]" 1
307 1 23 LYS HB2 1 23 LYS HD2 3.100 . 4.300 3.093 2.098 3.832 . 0 0 "[ . 1 . 2]" 1
308 1 23 LYS HB2 1 23 LYS HD3 3.100 . 4.300 2.959 2.190 3.992 . 0 0 "[ . 1 . 2]" 1
309 1 23 LYS HB2 1 23 LYS QE 4.300 . 6.000 3.607 2.478 4.345 . 0 0 "[ . 1 . 2]" 1
310 1 23 LYS HB2 1 23 LYS QG 2.400 . 3.100 2.315 2.133 2.524 . 0 0 "[ . 1 . 2]" 1
311 1 23 LYS HB2 1 24 THR H 2.700 . 3.600 3.592 3.120 3.716 0.116 1 0 "[ . 1 . 2]" 1
312 1 23 LYS HB2 1 25 ALA H 4.200 . 6.000 5.702 5.337 5.878 . 0 0 "[ . 1 . 2]" 1
313 1 23 LYS HB3 1 23 LYS QE 4.300 . 6.000 3.552 2.588 4.335 . 0 0 "[ . 1 . 2]" 1
314 1 23 LYS HB3 1 23 LYS QG 2.900 . 3.900 2.296 2.123 2.525 . 0 0 "[ . 1 . 2]" 1
315 1 23 LYS HB3 1 24 THR H 2.600 . 3.400 2.419 2.254 2.604 . 0 0 "[ . 1 . 2]" 1
316 1 23 LYS HD2 1 23 LYS QE 2.600 . 3.400 2.339 2.138 2.533 . 0 0 "[ . 1 . 2]" 1
317 1 23 LYS HD2 1 23 LYS QZ 3.700 . 5.400 2.506 1.939 3.153 0.061 19 0 "[ . 1 . 2]" 1
318 1 23 LYS HD3 1 23 LYS QE 3.100 . 4.300 2.311 2.138 2.519 . 0 0 "[ . 1 . 2]" 1
319 1 23 LYS HD3 1 23 LYS QZ 3.900 . 5.800 2.550 2.012 3.185 . 0 0 "[ . 1 . 2]" 1
320 1 23 LYS QE 1 23 LYS HG3 3.200 . 4.500 2.276 1.910 2.653 . 0 0 "[ . 1 . 2]" 1
321 1 23 LYS QE 1 23 LYS QZ 3.000 . 4.100 1.862 1.844 1.876 0.056 19 0 "[ . 1 . 2]" 1
322 1 23 LYS QG 1 23 LYS QZ 3.100 . 4.300 2.817 1.908 3.418 . 0 0 "[ . 1 . 2]" 1
323 1 23 LYS QG 1 24 THR H 2.900 . 4.000 3.839 3.050 4.192 0.192 2 0 "[ . 1 . 2]" 1
324 1 24 THR H 1 24 THR HA 2.300 . 3.000 2.786 2.753 2.818 . 0 0 "[ . 1 . 2]" 1
325 1 24 THR H 1 24 THR MG 2.500 . 3.300 3.565 3.316 3.667 0.367 6 0 "[ . 1 . 2]" 1
326 1 24 THR H 1 25 ALA H 2.600 . 3.400 2.724 2.647 2.830 . 0 0 "[ . 1 . 2]" 1
327 1 24 THR H 1 27 ASP H 4.100 . 6.000 4.523 4.440 4.622 . 0 0 "[ . 1 . 2]" 1
328 1 24 THR H 1 27 ASP HB2 4.000 . 6.000 4.554 4.131 4.793 . 0 0 "[ . 1 . 2]" 1
329 1 24 THR H 1 27 ASP HB3 4.400 . 6.000 5.294 4.769 5.536 . 0 0 "[ . 1 . 2]" 1
330 1 24 THR HA 1 24 THR HB 2.300 . 2.900 2.957 2.841 3.003 0.103 6 0 "[ . 1 . 2]" 1
331 1 24 THR HA 1 24 THR MG 3.200 . 4.500 2.611 2.022 2.970 . 0 0 "[ . 1 . 2]" 1
332 1 24 THR HA 1 25 ALA H 3.000 . 4.200 3.552 3.534 3.569 . 0 0 "[ . 1 . 2]" 1
333 1 24 THR HA 1 26 ALA H 3.900 . 5.800 4.557 4.215 4.770 . 0 0 "[ . 1 . 2]" 1
334 1 24 THR HA 1 27 ASP H 2.800 . 3.800 3.327 3.126 3.532 . 0 0 "[ . 1 . 2]" 1
335 1 24 THR HA 1 27 ASP HB2 2.800 . 3.800 2.557 1.774 2.841 0.026 5 0 "[ . 1 . 2]" 1
336 1 24 THR HA 1 27 ASP HB3 2.600 . 3.400 2.695 2.155 2.894 . 0 0 "[ . 1 . 2]" 1
337 1 24 THR HA 1 28 ALA H 3.200 . 4.400 3.852 3.483 4.188 . 0 0 "[ . 1 . 2]" 1
338 1 24 THR HB 1 24 THR MG 2.000 . 2.500 2.104 2.071 2.137 . 0 0 "[ . 1 . 2]" 1
339 1 24 THR HB 1 27 ASP HB2 3.800 . 5.600 5.395 4.593 5.692 0.092 13 0 "[ . 1 . 2]" 1
340 1 24 THR HB 1 27 ASP HB3 3.700 . 5.400 5.439 4.960 5.671 0.271 16 0 "[ . 1 . 2]" 1
341 1 24 THR MG 1 25 ALA H 2.700 . 3.600 3.013 2.440 3.652 0.052 14 0 "[ . 1 . 2]" 1
342 1 24 THR MG 1 26 ALA H 3.400 . 4.900 4.879 4.647 5.052 0.152 14 0 "[ . 1 . 2]" 1
343 1 24 THR MG 1 27 ASP H 3.800 . 5.600 4.595 4.400 4.743 . 0 0 "[ . 1 . 2]" 1
344 1 24 THR MG 1 28 ALA H 4.000 . 6.000 3.827 3.600 4.139 . 0 0 "[ . 1 . 2]" 1
345 1 25 ALA H 1 25 ALA HA 2.500 . 3.300 2.796 2.767 2.831 . 0 0 "[ . 1 . 2]" 1
346 1 25 ALA H 1 25 ALA MB 2.500 . 3.300 2.129 2.030 2.221 . 0 0 "[ . 1 . 2]" 1
347 1 25 ALA H 1 26 ALA H 2.200 . 2.800 2.779 2.653 2.841 0.041 4 0 "[ . 1 . 2]" 1
348 1 25 ALA HA 1 26 ALA H 6.000 . 6.000 3.545 3.502 3.568 . 0 0 "[ . 1 . 2]" 1
349 1 25 ALA MB 1 26 ALA H 2.900 . 3.900 2.459 2.301 2.677 . 0 0 "[ . 1 . 2]" 1
350 1 26 ALA H 1 26 ALA HA 2.700 . 3.600 2.826 2.798 2.877 . 0 0 "[ . 1 . 2]" 1
351 1 26 ALA H 1 26 ALA MB 2.500 . 3.300 2.139 2.039 2.234 . 0 0 "[ . 1 . 2]" 1
352 1 26 ALA H 1 27 ASP H 2.300 . 3.000 2.612 2.416 2.714 . 0 0 "[ . 1 . 2]" 1
353 1 26 ALA H 1 27 ASP HA 3.800 . 5.600 5.235 5.065 5.324 . 0 0 "[ . 1 . 2]" 1
354 1 26 ALA H 1 27 ASP HB3 4.500 . 6.000 5.197 4.856 5.581 . 0 0 "[ . 1 . 2]" 1
355 1 26 ALA HA 1 27 ASP H 2.600 . 3.500 3.513 3.496 3.528 0.028 15 0 "[ . 1 . 2]" 1
356 1 26 ALA MB 1 27 ASP H 2.500 . 3.300 2.628 2.477 2.782 . 0 0 "[ . 1 . 2]" 1
357 1 27 ASP H 1 27 ASP HA 2.200 . 2.800 2.792 2.773 2.813 0.013 16 0 "[ . 1 . 2]" 1
358 1 27 ASP H 1 27 ASP HB2 2.300 . 2.900 2.194 2.013 2.323 . 0 0 "[ . 1 . 2]" 1
359 1 27 ASP H 1 27 ASP HB3 2.400 . 3.100 2.896 2.672 3.179 0.079 5 0 "[ . 1 . 2]" 1
360 1 27 ASP H 1 28 ALA H 2.200 . 2.800 2.779 2.686 2.831 0.031 9 0 "[ . 1 . 2]" 1
361 1 27 ASP H 1 30 ALA H 3.900 . 5.800 4.651 4.507 4.830 . 0 0 "[ . 1 . 2]" 1
362 1 27 ASP HA 1 27 ASP HB2 2.500 . 3.300 2.648 2.534 2.808 . 0 0 "[ . 1 . 2]" 1
363 1 27 ASP HA 1 27 ASP HB3 2.400 . 3.100 2.983 2.892 3.022 . 0 0 "[ . 1 . 2]" 1
364 1 27 ASP HA 1 28 ALA H 3.000 . 4.100 3.546 3.524 3.563 . 0 0 "[ . 1 . 2]" 1
365 1 27 ASP HA 1 30 ALA H 3.000 . 4.200 3.477 3.210 3.729 . 0 0 "[ . 1 . 2]" 1
366 1 27 ASP HA 1 30 ALA MB 2.300 . 3.000 2.678 2.031 3.008 0.008 6 0 "[ . 1 . 2]" 1
367 1 27 ASP HA 1 31 ALA H 3.400 . 4.900 4.362 3.814 4.808 . 0 0 "[ . 1 . 2]" 1
368 1 27 ASP HB2 1 28 ALA H 2.600 . 3.500 3.440 3.043 3.586 0.086 4 0 "[ . 1 . 2]" 1
369 1 27 ASP HB3 1 28 ALA H 2.500 . 3.300 2.415 2.239 2.723 . 0 0 "[ . 1 . 2]" 1
370 1 28 ALA H 1 28 ALA HA 2.800 . 3.800 2.810 2.778 2.835 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA H 1 28 ALA MB 2.800 . 3.800 2.111 2.027 2.238 . 0 0 "[ . 1 . 2]" 1
372 1 29 ALA H 1 29 ALA HA 2.500 . 3.300 2.845 2.809 2.882 . 0 0 "[ . 1 . 2]" 1
373 1 29 ALA H 1 29 ALA MB 2.600 . 3.400 2.123 2.013 2.245 . 0 0 "[ . 1 . 2]" 1
374 1 30 ALA H 1 30 ALA HA 2.400 . 3.100 2.851 2.816 2.878 . 0 0 "[ . 1 . 2]" 1
375 1 30 ALA H 1 30 ALA MB 2.500 . 3.300 2.128 2.026 2.270 . 0 0 "[ . 1 . 2]" 1
376 1 30 ALA H 1 31 ALA H 2.800 . 3.800 2.515 2.405 2.621 . 0 0 "[ . 1 . 2]" 1
377 1 30 ALA HA 1 31 ALA H 2.700 . 3.600 3.480 3.388 3.534 . 0 0 "[ . 1 . 2]" 1
378 1 30 ALA MB 1 31 ALA H 3.000 . 4.100 2.830 2.643 3.154 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA H 1 31 ALA HA 2.400 . 3.100 2.893 2.848 2.933 . 0 0 "[ . 1 . 2]" 1
380 1 31 ALA H 1 31 ALA MB 2.200 . 2.800 2.193 2.090 2.336 . 0 0 "[ . 1 . 2]" 1
381 1 31 ALA H 1 32 ALA H 3.300 . 4.600 2.529 2.381 2.742 . 0 0 "[ . 1 . 2]" 1
382 1 31 ALA HA 1 32 ALA H 2.400 . 3.100 3.193 3.057 3.328 0.228 12 0 "[ . 1 . 2]" 1
383 1 31 ALA MB 1 32 ALA H 2.700 . 3.600 3.341 3.016 3.544 . 0 0 "[ . 1 . 2]" 1
384 1 32 ALA H 1 32 ALA HA 2.300 . 3.000 2.920 2.894 2.934 . 0 0 "[ . 1 . 2]" 1
385 1 32 ALA H 1 32 ALA MB 2.900 . 3.900 2.260 2.107 2.368 . 0 0 "[ . 1 . 2]" 1
386 1 32 ALA H 1 33 ALA H 6.000 . 6.000 3.386 2.766 4.349 . 0 0 "[ . 1 . 2]" 1
387 1 32 ALA HA 1 33 ALA H 2.200 . 2.800 2.591 2.131 2.916 0.116 8 0 "[ . 1 . 2]" 1
388 1 32 ALA HA 1 35 ALA H 3.700 . 5.400 4.292 2.847 5.387 . 0 0 "[ . 1 . 2]" 1
389 1 32 ALA HA 1 35 ALA MB 2.700 . 3.600 2.987 2.139 3.627 0.027 19 0 "[ . 1 . 2]" 1
390 1 32 ALA MB 1 33 ALA H 6.000 . 6.000 3.645 3.334 3.727 . 0 0 "[ . 1 . 2]" 1
391 1 33 ALA H 1 33 ALA HA 2.400 . 3.100 2.883 2.804 2.936 . 0 0 "[ . 1 . 2]" 1
392 1 33 ALA H 1 33 ALA MB 2.400 . 3.100 2.185 2.033 2.338 . 0 0 "[ . 1 . 2]" 1
393 1 33 ALA HA 1 34 ALA H 3.200 . 4.400 3.251 2.130 3.567 . 0 0 "[ . 1 . 2]" 1
394 1 33 ALA MB 1 34 ALA H 2.400 . 3.100 2.619 2.021 3.129 0.029 14 0 "[ . 1 . 2]" 1
395 1 34 ALA H 1 34 ALA HA 2.500 . 3.300 2.795 2.258 2.954 . 0 0 "[ . 1 . 2]" 1
396 1 34 ALA H 1 34 ALA MB 2.900 . 3.900 2.573 2.127 2.942 . 0 0 "[ . 1 . 2]" 1
397 1 34 ALA HA 1 35 ALA H 2.500 . 3.300 2.647 2.211 2.993 . 0 0 "[ . 1 . 2]" 1
398 1 34 ALA MB 1 35 ALA H 2.800 . 3.800 3.648 3.529 3.709 . 0 0 "[ . 1 . 2]" 1
399 1 35 ALA H 1 35 ALA HA 2.900 . 4.000 2.919 2.822 2.945 . 0 0 "[ . 1 . 2]" 1
400 1 35 ALA H 1 35 ALA MB 2.600 . 3.400 2.484 2.136 2.758 . 0 0 "[ . 1 . 2]" 1
401 1 35 ALA HA 1 35 ALA MB 3.300 . 4.700 2.107 2.086 2.132 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 23, 2024 11:03:31 AM GMT (wattos1)