NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
575045 |
2m73   |
19170 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m73
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 397
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 9.020
_Distance_constraint_stats_list.Viol_max 1.024
_Distance_constraint_stats_list.Viol_rms 0.0856
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0227
_Distance_constraint_stats_list.Viol_average_violations_only 0.1479
_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 ARG 0.000 0.000 . 0 "[ ]"
1 2 LEU 0.173 0.138 1 0 "[ ]"
1 3 GLN 0.002 0.002 1 0 "[ ]"
1 4 GLN 0.165 0.093 1 0 "[ ]"
1 5 TRP 0.259 0.123 1 0 "[ ]"
1 6 ARG 0.475 0.349 1 0 "[ ]"
1 7 LYS 0.997 0.309 1 0 "[ ]"
1 8 ALA 0.123 0.123 1 0 "[ ]"
1 9 ALA 1.173 0.390 1 0 "[ ]"
1 10 LEU 3.336 1.024 1 1 [+]
1 11 VAL 4.707 1.024 1 1 [+]
1 12 LEU 0.919 0.280 1 0 "[ ]"
1 13 ASN 1.250 0.390 1 0 "[ ]"
1 14 ALA 0.506 0.184 1 0 "[ ]"
1 15 SER 0.750 0.424 1 0 "[ ]"
1 16 ARG 0.808 0.441 1 0 "[ ]"
1 17 ARG 0.002 0.001 1 0 "[ ]"
1 18 PHE 0.008 0.004 1 0 "[ ]"
1 19 ARG 0.031 0.031 1 0 "[ ]"
1 20 TYR 0.190 0.114 1 0 "[ ]"
1 21 THR 0.114 0.114 1 0 "[ ]"
1 22 LEU 0.171 0.134 1 0 "[ ]"
1 23 ASP 0.000 0.000 . 0 "[ ]"
1 24 LEU 0.000 0.000 . 0 "[ ]"
1 25 LYS 0.000 0.000 . 0 "[ ]"
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 ARG H1 1 1 ARG QB . . 3.420 2.383 2.383 2.383 . 0 0 "[ ]" 1
2 1 1 ARG HA 1 1 ARG HE . . 5.500 5.001 5.001 5.001 . 0 0 "[ ]" 1
3 1 1 ARG HA 1 2 LEU H . . 3.290 2.240 2.240 2.240 . 0 0 "[ ]" 1
4 1 1 ARG HE 1 1 ARG QG . . 3.600 2.191 2.191 2.191 . 0 0 "[ ]" 1
5 1 2 LEU H 1 2 LEU QB . . 2.930 2.169 2.169 2.169 . 0 0 "[ ]" 1
6 1 2 LEU H 1 2 LEU MD1 . . 4.590 3.922 3.922 3.922 . 0 0 "[ ]" 1
7 1 2 LEU H 1 2 LEU QD . . 3.830 3.634 3.634 3.634 . 0 0 "[ ]" 1
8 1 2 LEU H 1 2 LEU MD2 . . 4.590 4.296 4.296 4.296 . 0 0 "[ ]" 1
9 1 2 LEU H 1 5 TRP HB2 . . 4.850 4.600 4.600 4.600 . 0 0 "[ ]" 1
10 1 2 LEU HA 1 2 LEU MD1 . . 4.130 3.364 3.364 3.364 . 0 0 "[ ]" 1
11 1 2 LEU HA 1 2 LEU QD . . 3.590 3.035 3.035 3.035 . 0 0 "[ ]" 1
12 1 2 LEU HA 1 2 LEU MD2 . . 4.130 3.454 3.454 3.454 . 0 0 "[ ]" 1
13 1 2 LEU HA 1 5 TRP H . . 4.060 4.079 4.079 4.079 0.019 1 0 "[ ]" 1
14 1 2 LEU HA 1 5 TRP HB2 . . 3.740 2.622 2.622 2.622 . 0 0 "[ ]" 1
15 1 2 LEU HA 1 5 TRP HB3 . . 4.070 2.526 2.526 2.526 . 0 0 "[ ]" 1
16 1 2 LEU HA 1 5 TRP HE3 . . 5.500 4.844 4.844 4.844 . 0 0 "[ ]" 1
17 1 2 LEU HA 1 6 ARG H . . 4.240 3.834 3.834 3.834 . 0 0 "[ ]" 1
18 1 2 LEU QB 1 2 LEU QD . . 1.570 1.708 1.708 1.708 0.138 1 0 "[ ]" 1
19 1 2 LEU QB 1 3 GLN H . . 3.190 2.731 2.731 2.731 . 0 0 "[ ]" 1
20 1 2 LEU QB 1 5 TRP HB3 . . 5.340 4.437 4.437 4.437 . 0 0 "[ ]" 1
21 1 2 LEU HB2 1 2 LEU MD1 . . 3.520 1.946 1.946 1.946 . 0 0 "[ ]" 1
22 1 2 LEU HB2 1 2 LEU MD2 . . 3.520 3.047 3.047 3.047 . 0 0 "[ ]" 1
23 1 2 LEU HB2 1 3 GLN H . . 3.810 3.812 3.812 3.812 0.002 1 0 "[ ]" 1
24 1 2 LEU HB3 1 2 LEU MD1 . . 3.520 2.820 2.820 2.820 . 0 0 "[ ]" 1
25 1 2 LEU HB3 1 2 LEU MD2 . . 3.520 1.941 1.941 1.941 . 0 0 "[ ]" 1
26 1 2 LEU HB3 1 3 GLN H . . 3.810 2.798 2.798 2.798 . 0 0 "[ ]" 1
27 1 2 LEU QD 1 3 GLN H . . 5.190 3.615 3.615 3.615 . 0 0 "[ ]" 1
28 1 2 LEU QD 1 5 TRP H . . 4.380 4.105 4.105 4.105 . 0 0 "[ ]" 1
29 1 2 LEU QD 1 6 ARG H . . 5.150 3.283 3.283 3.283 . 0 0 "[ ]" 1
30 1 2 LEU QD 1 7 LYS H . . 5.440 3.954 3.954 3.954 . 0 0 "[ ]" 1
31 1 2 LEU MD1 1 5 TRP HE3 . . 5.500 5.508 5.508 5.508 0.008 1 0 "[ ]" 1
32 1 2 LEU MD2 1 5 TRP HE3 . . 5.500 5.506 5.506 5.506 0.006 1 0 "[ ]" 1
33 1 3 GLN H 1 3 GLN HB2 . . 4.150 2.182 2.182 2.182 . 0 0 "[ ]" 1
34 1 3 GLN H 1 3 GLN QB . . 3.490 2.126 2.126 2.126 . 0 0 "[ ]" 1
35 1 3 GLN H 1 3 GLN HB3 . . 4.150 2.933 2.933 2.933 . 0 0 "[ ]" 1
36 1 3 GLN H 1 3 GLN QE . . 5.340 5.266 5.266 5.266 . 0 0 "[ ]" 1
37 1 3 GLN H 1 3 GLN HG2 . . 5.260 4.124 4.124 4.124 . 0 0 "[ ]" 1
38 1 3 GLN H 1 3 GLN QG . . 4.490 3.783 3.783 3.783 . 0 0 "[ ]" 1
39 1 3 GLN H 1 3 GLN HG3 . . 5.260 4.401 4.401 4.401 . 0 0 "[ ]" 1
40 1 3 GLN H 1 5 TRP HB2 . . 5.120 4.185 4.185 4.185 . 0 0 "[ ]" 1
41 1 3 GLN QB 1 4 GLN H . . 3.920 3.648 3.648 3.648 . 0 0 "[ ]" 1
42 1 3 GLN HB2 1 4 GLN H . . 4.590 4.396 4.396 4.396 . 0 0 "[ ]" 1
43 1 3 GLN HB3 1 4 GLN H . . 4.590 3.897 3.897 3.897 . 0 0 "[ ]" 1
44 1 3 GLN HG2 1 4 GLN H . . 5.500 3.202 3.202 3.202 . 0 0 "[ ]" 1
45 1 3 GLN HG3 1 4 GLN H . . 5.500 4.592 4.592 4.592 . 0 0 "[ ]" 1
46 1 4 GLN H 1 4 GLN HB2 . . 3.300 3.106 3.106 3.106 . 0 0 "[ ]" 1
47 1 4 GLN H 1 4 GLN HE21 . . 5.300 5.295 5.295 5.295 . 0 0 "[ ]" 1
48 1 4 GLN H 1 4 GLN HG2 . . 5.430 5.171 5.171 5.171 . 0 0 "[ ]" 1
49 1 4 GLN H 1 4 GLN QG . . 4.620 4.129 4.129 4.129 . 0 0 "[ ]" 1
50 1 4 GLN H 1 4 GLN HG3 . . 5.430 4.341 4.341 4.341 . 0 0 "[ ]" 1
51 1 4 GLN H 1 5 TRP HB2 . . 5.010 4.814 4.814 4.814 . 0 0 "[ ]" 1
52 1 4 GLN H 1 7 LYS H . . 5.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
53 1 4 GLN H 1 8 ALA MB . . 4.770 4.548 4.548 4.548 . 0 0 "[ ]" 1
54 1 4 GLN HA 1 4 GLN HE21 . . 5.500 4.477 4.477 4.477 . 0 0 "[ ]" 1
55 1 4 GLN HA 1 5 TRP H . . 3.210 3.096 3.096 3.096 . 0 0 "[ ]" 1
56 1 4 GLN HA 1 5 TRP HB2 . . 5.370 5.301 5.301 5.301 . 0 0 "[ ]" 1
57 1 4 GLN HA 1 7 LYS H . . 3.940 4.012 4.012 4.012 0.072 1 0 "[ ]" 1
58 1 4 GLN HA 1 8 ALA H . . 3.660 2.969 2.969 2.969 . 0 0 "[ ]" 1
59 1 4 GLN HB2 1 5 TRP H . . 5.080 4.381 4.381 4.381 . 0 0 "[ ]" 1
60 1 4 GLN HB2 1 8 ALA MB . . 4.730 4.239 4.239 4.239 . 0 0 "[ ]" 1
61 1 4 GLN HB3 1 5 TRP H . . 5.360 3.857 3.857 3.857 . 0 0 "[ ]" 1
62 1 4 GLN HB3 1 5 TRP HA . . 5.500 4.452 4.452 4.452 . 0 0 "[ ]" 1
63 1 4 GLN HB3 1 5 TRP HB2 . . 4.660 4.753 4.753 4.753 0.093 1 0 "[ ]" 1
64 1 4 GLN HB3 1 8 ALA H . . 5.500 5.398 5.398 5.398 . 0 0 "[ ]" 1
65 1 4 GLN HB3 1 8 ALA MB . . 4.910 3.952 3.952 3.952 . 0 0 "[ ]" 1
66 1 4 GLN HE21 1 8 ALA MB . . 5.500 5.086 5.086 5.086 . 0 0 "[ ]" 1
67 1 4 GLN HG2 1 5 TRP H . . 5.500 5.232 5.232 5.232 . 0 0 "[ ]" 1
68 1 4 GLN HG2 1 5 TRP HA . . 5.500 5.011 5.011 5.011 . 0 0 "[ ]" 1
69 1 4 GLN HG3 1 5 TRP H . . 5.500 4.811 4.811 4.811 . 0 0 "[ ]" 1
70 1 4 GLN HG3 1 5 TRP HA . . 5.500 5.147 5.147 5.147 . 0 0 "[ ]" 1
71 1 5 TRP H 1 5 TRP HB2 . . 3.350 2.508 2.508 2.508 . 0 0 "[ ]" 1
72 1 5 TRP H 1 5 TRP HB3 . . 3.640 2.882 2.882 2.882 . 0 0 "[ ]" 1
73 1 5 TRP H 1 5 TRP HE3 . . 5.090 5.001 5.001 5.001 . 0 0 "[ ]" 1
74 1 5 TRP H 1 7 LYS H . . 4.750 3.026 3.026 3.026 . 0 0 "[ ]" 1
75 1 5 TRP HA 1 5 TRP HD1 . . 4.200 3.537 3.537 3.537 . 0 0 "[ ]" 1
76 1 5 TRP HA 1 5 TRP HE1 . . 5.500 5.000 5.000 5.000 . 0 0 "[ ]" 1
77 1 5 TRP HA 1 5 TRP HE3 . . 4.170 3.806 3.806 3.806 . 0 0 "[ ]" 1
78 1 5 TRP HA 1 6 ARG HA . . 5.090 4.609 4.609 4.609 . 0 0 "[ ]" 1
79 1 5 TRP HA 1 7 LYS H . . 5.120 4.558 4.558 4.558 . 0 0 "[ ]" 1
80 1 5 TRP HA 1 8 ALA MB . . 3.510 3.244 3.244 3.244 . 0 0 "[ ]" 1
81 1 5 TRP HB2 1 5 TRP HD1 . . 3.460 2.589 2.589 2.589 . 0 0 "[ ]" 1
82 1 5 TRP HB2 1 5 TRP HE1 . . 5.000 4.764 4.764 4.764 . 0 0 "[ ]" 1
83 1 5 TRP HB2 1 8 ALA H . . 5.500 5.623 5.623 5.623 0.123 1 0 "[ ]" 1
84 1 5 TRP HB3 1 5 TRP HE3 . . 3.500 2.726 2.726 2.726 . 0 0 "[ ]" 1
85 1 5 TRP HB3 1 5 TRP HZ3 . . 5.500 5.079 5.079 5.079 . 0 0 "[ ]" 1
86 1 5 TRP HB3 1 6 ARG H . . 3.690 2.040 2.040 2.040 . 0 0 "[ ]" 1
87 1 5 TRP HB3 1 6 ARG HA . . 4.680 4.041 4.041 4.041 . 0 0 "[ ]" 1
88 1 5 TRP HB3 1 6 ARG QB . . 4.880 3.610 3.610 3.610 . 0 0 "[ ]" 1
89 1 5 TRP HB3 1 6 ARG QG . . 4.160 3.808 3.808 3.808 . 0 0 "[ ]" 1
90 1 5 TRP HB3 1 7 LYS H . . 5.150 4.218 4.218 4.218 . 0 0 "[ ]" 1
91 1 5 TRP HB3 1 8 ALA H . . 5.380 5.324 5.324 5.324 . 0 0 "[ ]" 1
92 1 5 TRP HE3 1 6 ARG H . . 5.230 3.234 3.234 3.234 . 0 0 "[ ]" 1
93 1 5 TRP HE3 1 6 ARG HA . . 4.220 2.698 2.698 2.698 . 0 0 "[ ]" 1
94 1 5 TRP HE3 1 6 ARG HB2 . . 5.500 3.983 3.983 3.983 . 0 0 "[ ]" 1
95 1 5 TRP HE3 1 6 ARG QB . . 4.690 3.732 3.732 3.732 . 0 0 "[ ]" 1
96 1 5 TRP HE3 1 6 ARG HB3 . . 5.500 4.502 4.502 4.502 . 0 0 "[ ]" 1
97 1 5 TRP HE3 1 6 ARG HG2 . . 4.840 3.912 3.912 3.912 . 0 0 "[ ]" 1
98 1 5 TRP HE3 1 6 ARG QG . . 4.100 2.164 2.164 2.164 . 0 0 "[ ]" 1
99 1 5 TRP HE3 1 6 ARG HG3 . . 4.840 2.174 2.174 2.174 . 0 0 "[ ]" 1
100 1 5 TRP HE3 1 9 ALA MB . . 4.950 4.960 4.960 4.960 0.010 1 0 "[ ]" 1
101 1 6 ARG H 1 6 ARG QB . . 3.260 2.204 2.204 2.204 . 0 0 "[ ]" 1
102 1 6 ARG H 1 6 ARG HE . . 5.500 5.516 5.516 5.516 0.016 1 0 "[ ]" 1
103 1 6 ARG H 1 6 ARG QG . . 3.990 3.361 3.361 3.361 . 0 0 "[ ]" 1
104 1 6 ARG H 1 7 LYS H . . 3.800 2.300 2.300 2.300 . 0 0 "[ ]" 1
105 1 6 ARG H 1 7 LYS HA . . 4.900 4.964 4.964 4.964 0.064 1 0 "[ ]" 1
106 1 6 ARG H 1 9 ALA MB . . 5.500 5.526 5.526 5.526 0.026 1 0 "[ ]" 1
107 1 6 ARG HA 1 6 ARG HD2 . . 5.500 3.921 3.921 3.921 . 0 0 "[ ]" 1
108 1 6 ARG HA 1 6 ARG QD . . 4.790 3.581 3.581 3.581 . 0 0 "[ ]" 1
109 1 6 ARG HA 1 6 ARG HD3 . . 5.500 4.140 4.140 4.140 . 0 0 "[ ]" 1
110 1 6 ARG HA 1 6 ARG HG2 . . 3.820 3.239 3.239 3.239 . 0 0 "[ ]" 1
111 1 6 ARG HA 1 6 ARG HG3 . . 3.820 2.164 2.164 2.164 . 0 0 "[ ]" 1
112 1 6 ARG HA 1 7 LYS HA . . 4.740 4.695 4.695 4.695 . 0 0 "[ ]" 1
113 1 6 ARG HA 1 8 ALA H . . 5.380 4.354 4.354 4.354 . 0 0 "[ ]" 1
114 1 6 ARG HA 1 9 ALA H . . 4.120 3.866 3.866 3.866 . 0 0 "[ ]" 1
115 1 6 ARG HA 1 9 ALA MB . . 3.480 3.456 3.456 3.456 . 0 0 "[ ]" 1
116 1 6 ARG HA 1 10 LEU H . . 5.500 5.138 5.138 5.138 . 0 0 "[ ]" 1
117 1 6 ARG QB 1 6 ARG QD . . 1.560 1.909 1.909 1.909 0.349 1 0 "[ ]" 1
118 1 6 ARG QB 1 7 LYS H . . 3.650 2.967 2.967 2.967 . 0 0 "[ ]" 1
119 1 6 ARG HB2 1 7 LYS H . . 4.380 3.127 3.127 3.127 . 0 0 "[ ]" 1
120 1 6 ARG HB3 1 7 LYS H . . 4.380 3.690 3.690 3.690 . 0 0 "[ ]" 1
121 1 6 ARG HD2 1 7 LYS H . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
122 1 6 ARG HD3 1 7 LYS H . . 5.500 4.847 4.847 4.847 . 0 0 "[ ]" 1
123 1 7 LYS H 1 7 LYS HB2 . . 3.700 2.578 2.578 2.578 . 0 0 "[ ]" 1
124 1 7 LYS H 1 7 LYS QB . . 3.030 2.291 2.291 2.291 . 0 0 "[ ]" 1
125 1 7 LYS H 1 7 LYS HB3 . . 3.700 2.565 2.565 2.565 . 0 0 "[ ]" 1
126 1 7 LYS H 1 8 ALA H . . 3.760 2.377 2.377 2.377 . 0 0 "[ ]" 1
127 1 7 LYS H 1 8 ALA MB . . 4.350 4.024 4.024 4.024 . 0 0 "[ ]" 1
128 1 7 LYS H 1 10 LEU MD2 . . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
129 1 7 LYS H 1 11 VAL QG . . 5.440 5.010 5.010 5.010 . 0 0 "[ ]" 1
130 1 7 LYS HA 1 7 LYS HE2 . . 5.500 2.711 2.711 2.711 . 0 0 "[ ]" 1
131 1 7 LYS HA 1 7 LYS HE3 . . 5.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
132 1 7 LYS HA 1 10 LEU H . . 3.290 2.992 2.992 2.992 . 0 0 "[ ]" 1
133 1 7 LYS HA 1 10 LEU QB . . 5.340 1.943 1.943 1.943 . 0 0 "[ ]" 1
134 1 7 LYS HA 1 10 LEU MD2 . . 3.750 2.744 2.744 2.744 . 0 0 "[ ]" 1
135 1 7 LYS HA 1 11 VAL H . . 3.790 3.276 3.276 3.276 . 0 0 "[ ]" 1
136 1 7 LYS HA 1 11 VAL QG . . 3.520 3.240 3.240 3.240 . 0 0 "[ ]" 1
137 1 7 LYS QB 1 7 LYS QE . . 1.560 1.869 1.869 1.869 0.309 1 0 "[ ]" 1
138 1 7 LYS QD 1 11 VAL QG . . 1.570 1.732 1.732 1.732 0.162 1 0 "[ ]" 1
139 1 7 LYS HD2 1 11 VAL MG1 . . 3.530 1.864 1.864 1.864 . 0 0 "[ ]" 1
140 1 7 LYS HD2 1 11 VAL MG2 . . 3.530 2.564 2.564 2.564 . 0 0 "[ ]" 1
141 1 7 LYS HD3 1 11 VAL MG1 . . 3.530 2.358 2.358 2.358 . 0 0 "[ ]" 1
142 1 7 LYS HD3 1 11 VAL MG2 . . 3.530 2.527 2.527 2.527 . 0 0 "[ ]" 1
143 1 7 LYS QG 1 11 VAL QG . . 1.570 1.806 1.806 1.806 0.236 1 0 "[ ]" 1
144 1 7 LYS HG2 1 11 VAL MG1 . . 3.530 3.664 3.664 3.664 0.134 1 0 "[ ]" 1
145 1 7 LYS HG2 1 11 VAL MG2 . . 3.530 3.123 3.123 3.123 . 0 0 "[ ]" 1
146 1 7 LYS HG3 1 11 VAL MG1 . . 3.530 3.179 3.179 3.179 . 0 0 "[ ]" 1
147 1 7 LYS HG3 1 11 VAL MG2 . . 3.530 1.833 1.833 1.833 . 0 0 "[ ]" 1
148 1 8 ALA H 1 8 ALA MB . . 3.070 2.169 2.169 2.169 . 0 0 "[ ]" 1
149 1 8 ALA MB 1 9 ALA H . . 3.280 3.031 3.031 3.031 . 0 0 "[ ]" 1
150 1 8 ALA MB 1 12 LEU H . . 5.450 5.059 5.059 5.059 . 0 0 "[ ]" 1
151 1 9 ALA H 1 9 ALA MB . . 3.160 2.355 2.355 2.355 . 0 0 "[ ]" 1
152 1 9 ALA H 1 10 LEU H . . 3.360 2.111 2.111 2.111 . 0 0 "[ ]" 1
153 1 9 ALA HA 1 12 LEU H . . 3.800 4.080 4.080 4.080 0.280 1 0 "[ ]" 1
154 1 9 ALA HA 1 13 ASN H . . 3.540 3.930 3.930 3.930 0.390 1 0 "[ ]" 1
155 1 9 ALA HA 1 13 ASN HD21 . . 5.500 2.622 2.622 2.622 . 0 0 "[ ]" 1
156 1 9 ALA MB 1 10 LEU H . . 3.640 3.369 3.369 3.369 . 0 0 "[ ]" 1
157 1 9 ALA MB 1 10 LEU HA . . 4.480 4.082 4.082 4.082 . 0 0 "[ ]" 1
158 1 9 ALA MB 1 11 VAL H . . 5.050 5.344 5.344 5.344 0.294 1 0 "[ ]" 1
159 1 9 ALA MB 1 12 LEU H . . 4.990 5.163 5.163 5.163 0.173 1 0 "[ ]" 1
160 1 9 ALA MB 1 12 LEU HB2 . . 5.500 5.386 5.386 5.386 . 0 0 "[ ]" 1
161 1 9 ALA MB 1 12 LEU QB . . 4.700 4.497 4.497 4.497 . 0 0 "[ ]" 1
162 1 9 ALA MB 1 12 LEU HB3 . . 5.500 4.819 4.819 4.819 . 0 0 "[ ]" 1
163 1 9 ALA MB 1 13 ASN H . . 5.300 5.002 5.002 5.002 . 0 0 "[ ]" 1
164 1 9 ALA MB 1 13 ASN HD21 . . 4.860 2.661 2.661 2.661 . 0 0 "[ ]" 1
165 1 9 ALA MB 1 13 ASN HD22 . . 5.490 3.809 3.809 3.809 . 0 0 "[ ]" 1
166 1 10 LEU H 1 10 LEU HB2 . . 3.760 2.263 2.263 2.263 . 0 0 "[ ]" 1
167 1 10 LEU H 1 10 LEU QB . . 3.290 2.224 2.224 2.224 . 0 0 "[ ]" 1
168 1 10 LEU H 1 10 LEU HB3 . . 3.760 3.266 3.266 3.266 . 0 0 "[ ]" 1
169 1 10 LEU H 1 10 LEU MD1 . . 4.770 3.282 3.282 3.282 . 0 0 "[ ]" 1
170 1 10 LEU H 1 10 LEU MD2 . . 5.170 4.149 4.149 4.149 . 0 0 "[ ]" 1
171 1 10 LEU H 1 11 VAL H . . 3.740 2.419 2.419 2.419 . 0 0 "[ ]" 1
172 1 10 LEU H 1 11 VAL HA . . 5.390 4.968 4.968 4.968 . 0 0 "[ ]" 1
173 1 10 LEU H 1 11 VAL HB . . 5.500 5.919 5.919 5.919 0.419 1 0 "[ ]" 1
174 1 10 LEU H 1 11 VAL QG . . 4.410 3.382 3.382 3.382 . 0 0 "[ ]" 1
175 1 10 LEU H 1 12 LEU H . . 4.750 3.088 3.088 3.088 . 0 0 "[ ]" 1
176 1 10 LEU HA 1 10 LEU MD1 . . 3.230 2.029 2.029 2.029 . 0 0 "[ ]" 1
177 1 10 LEU HA 1 11 VAL HA . . 5.390 4.644 4.644 4.644 . 0 0 "[ ]" 1
178 1 10 LEU HA 1 11 VAL QG . . 5.060 4.363 4.363 4.363 . 0 0 "[ ]" 1
179 1 10 LEU HA 1 13 ASN H . . 3.960 3.960 3.960 3.960 . 1 0 "[ ]" 1
180 1 10 LEU HA 1 13 ASN HB2 . . 4.080 3.824 3.824 3.824 . 0 0 "[ ]" 1
181 1 10 LEU HA 1 13 ASN QB . . 3.380 3.591 3.591 3.591 0.211 1 0 "[ ]" 1
182 1 10 LEU HA 1 13 ASN HB3 . . 4.080 4.355 4.355 4.355 0.275 1 0 "[ ]" 1
183 1 10 LEU HA 1 13 ASN HD21 . . 5.050 5.228 5.228 5.228 0.178 1 0 "[ ]" 1
184 1 10 LEU QB 1 11 VAL H . . 3.450 2.316 2.316 2.316 . 0 0 "[ ]" 1
185 1 10 LEU QB 1 11 VAL HA . . 5.340 3.765 3.765 3.765 . 0 0 "[ ]" 1
186 1 10 LEU QB 1 11 VAL QG . . 1.570 2.594 2.594 2.594 1.024 1 1 [+] 1
187 1 10 LEU HB2 1 11 VAL MG1 . . 3.520 3.922 3.922 3.922 0.402 1 0 "[ ]" 1
188 1 10 LEU HB2 1 11 VAL MG2 . . 3.520 3.924 3.924 3.924 0.404 1 0 "[ ]" 1
189 1 10 LEU HB3 1 11 VAL MG1 . . 3.520 2.745 2.745 2.745 . 0 0 "[ ]" 1
190 1 10 LEU HB3 1 11 VAL MG2 . . 3.520 3.690 3.690 3.690 0.170 1 0 "[ ]" 1
191 1 10 LEU MD1 1 13 ASN HD21 . . 5.500 5.375 5.375 5.375 . 0 0 "[ ]" 1
192 1 10 LEU MD1 1 14 ALA H . . 4.700 4.544 4.544 4.544 . 0 0 "[ ]" 1
193 1 10 LEU MD1 1 14 ALA MB . . 3.930 3.717 3.717 3.717 . 0 0 "[ ]" 1
194 1 10 LEU HG 1 11 VAL HA . . 5.340 5.444 5.444 5.444 0.104 1 0 "[ ]" 1
195 1 10 LEU HG 1 11 VAL QG . . 4.320 4.450 4.450 4.450 0.130 1 0 "[ ]" 1
196 1 10 LEU HG 1 14 ALA H . . 5.240 5.259 5.259 5.259 0.019 1 0 "[ ]" 1
197 1 11 VAL H 1 11 VAL HB . . 3.530 3.623 3.623 3.623 0.093 1 0 "[ ]" 1
198 1 11 VAL H 1 12 LEU H . . 3.520 2.364 2.364 2.364 . 0 0 "[ ]" 1
199 1 11 VAL HA 1 11 VAL MG1 . . 3.470 2.344 2.344 2.344 . 0 0 "[ ]" 1
200 1 11 VAL HA 1 11 VAL QG . . 2.900 2.288 2.288 2.288 . 0 0 "[ ]" 1
201 1 11 VAL HA 1 11 VAL MG2 . . 3.470 3.200 3.200 3.200 . 0 0 "[ ]" 1
202 1 11 VAL HA 1 12 LEU HA . . 5.500 4.692 4.692 4.692 . 0 0 "[ ]" 1
203 1 11 VAL HA 1 12 LEU QB . . 5.340 5.151 5.151 5.151 . 0 0 "[ ]" 1
204 1 11 VAL HA 1 14 ALA H . . 4.230 4.275 4.275 4.275 0.045 1 0 "[ ]" 1
205 1 11 VAL HA 1 14 ALA MB . . 3.520 3.453 3.453 3.453 . 0 0 "[ ]" 1
206 1 11 VAL HA 1 15 SER H . . 4.710 2.663 2.663 2.663 . 0 0 "[ ]" 1
207 1 11 VAL HA 1 15 SER QB . . 4.410 2.240 2.240 2.240 . 0 0 "[ ]" 1
208 1 11 VAL HB 1 12 LEU H . . 3.720 3.846 3.846 3.846 0.126 1 0 "[ ]" 1
209 1 11 VAL QG 1 12 LEU H . . 3.720 2.243 2.243 2.243 . 0 0 "[ ]" 1
210 1 11 VAL QG 1 12 LEU QB . . 2.750 2.849 2.849 2.849 0.099 1 0 "[ ]" 1
211 1 11 VAL QG 1 14 ALA H . . 4.830 5.014 5.014 5.014 0.184 1 0 "[ ]" 1
212 1 11 VAL QG 1 15 SER H . . 4.430 4.191 4.191 4.191 . 0 0 "[ ]" 1
213 1 11 VAL QG 1 15 SER QB . . 2.750 3.174 3.174 3.174 0.424 1 0 "[ ]" 1
214 1 11 VAL MG1 1 12 LEU H . . 4.240 4.063 4.063 4.063 . 0 0 "[ ]" 1
215 1 11 VAL MG1 1 14 ALA H . . 5.500 5.607 5.607 5.607 0.107 1 0 "[ ]" 1
216 1 11 VAL MG1 1 15 SER H . . 5.500 4.451 4.451 4.451 . 0 0 "[ ]" 1
217 1 11 VAL MG2 1 12 LEU H . . 4.240 2.254 2.254 2.254 . 0 0 "[ ]" 1
218 1 11 VAL MG2 1 14 ALA H . . 5.500 5.650 5.650 5.650 0.150 1 0 "[ ]" 1
219 1 11 VAL MG2 1 15 SER H . . 5.500 5.115 5.115 5.115 . 0 0 "[ ]" 1
220 1 12 LEU H 1 12 LEU QB . . 3.330 2.163 2.163 2.163 . 0 0 "[ ]" 1
221 1 12 LEU H 1 12 LEU QD . . 4.640 3.626 3.626 3.626 . 0 0 "[ ]" 1
222 1 12 LEU H 1 12 LEU HG . . 4.220 4.247 4.247 4.247 0.027 1 0 "[ ]" 1
223 1 12 LEU H 1 13 ASN H . . 3.840 2.408 2.408 2.408 . 0 0 "[ ]" 1
224 1 12 LEU H 1 13 ASN HA . . 5.430 5.060 5.060 5.060 . 0 0 "[ ]" 1
225 1 12 LEU H 1 13 ASN HB2 . . 5.500 4.202 4.202 4.202 . 0 0 "[ ]" 1
226 1 12 LEU H 1 13 ASN QB . . 4.640 4.086 4.086 4.086 . 0 0 "[ ]" 1
227 1 12 LEU H 1 13 ASN HB3 . . 5.500 5.577 5.577 5.577 0.077 1 0 "[ ]" 1
228 1 12 LEU H 1 15 SER H . . 5.460 4.716 4.716 4.716 . 0 0 "[ ]" 1
229 1 12 LEU HA 1 12 LEU QD . . 3.700 2.940 2.940 2.940 . 0 0 "[ ]" 1
230 1 12 LEU QB 1 12 LEU QD . . 1.570 1.707 1.707 1.707 0.137 1 0 "[ ]" 1
231 1 12 LEU HB2 1 12 LEU MD1 . . 3.520 1.940 1.940 1.940 . 0 0 "[ ]" 1
232 1 12 LEU HB2 1 12 LEU MD2 . . 3.520 3.064 3.064 3.064 . 0 0 "[ ]" 1
233 1 12 LEU HB3 1 12 LEU MD1 . . 3.520 2.777 2.777 2.777 . 0 0 "[ ]" 1
234 1 12 LEU HB3 1 12 LEU MD2 . . 3.520 1.948 1.948 1.948 . 0 0 "[ ]" 1
235 1 13 ASN H 1 13 ASN HB2 . . 3.570 2.435 2.435 2.435 . 0 0 "[ ]" 1
236 1 13 ASN H 1 13 ASN QB . . 3.050 2.383 2.383 2.383 . 0 0 "[ ]" 1
237 1 13 ASN H 1 13 ASN HB3 . . 3.570 3.377 3.377 3.377 . 0 0 "[ ]" 1
238 1 13 ASN H 1 13 ASN HD21 . . 5.020 4.493 4.493 4.493 . 0 0 "[ ]" 1
239 1 13 ASN H 1 13 ASN HD22 . . 5.500 5.568 5.568 5.568 0.068 1 0 "[ ]" 1
240 1 13 ASN H 1 14 ALA H . . 3.610 2.448 2.448 2.448 . 0 0 "[ ]" 1
241 1 13 ASN H 1 15 SER H . . 4.520 3.445 3.445 3.445 . 0 0 "[ ]" 1
242 1 13 ASN HA 1 15 SER H . . 4.800 4.852 4.852 4.852 0.052 1 0 "[ ]" 1
243 1 13 ASN HA 1 16 ARG H . . 4.220 3.482 3.482 3.482 . 0 0 "[ ]" 1
244 1 13 ASN HA 1 16 ARG QB . . 3.740 1.913 1.913 1.913 . 0 0 "[ ]" 1
245 1 13 ASN HA 1 16 ARG HG2 . . 4.400 2.717 2.717 2.717 . 0 0 "[ ]" 1
246 1 13 ASN HA 1 16 ARG QG . . 3.860 2.670 2.670 2.670 . 0 0 "[ ]" 1
247 1 13 ASN HA 1 16 ARG HG3 . . 4.400 3.931 3.931 3.931 . 0 0 "[ ]" 1
248 1 13 ASN QB 1 14 ALA H . . 3.530 2.228 2.228 2.228 . 0 0 "[ ]" 1
249 1 13 ASN QB 1 14 ALA MB . . 4.850 3.534 3.534 3.534 . 0 0 "[ ]" 1
250 1 13 ASN HB2 1 14 ALA H . . 4.030 2.724 2.724 2.724 . 0 0 "[ ]" 1
251 1 13 ASN HB2 1 15 SER H . . 5.500 5.205 5.205 5.205 . 0 0 "[ ]" 1
252 1 13 ASN HB3 1 14 ALA H . . 4.030 2.363 2.363 2.363 . 0 0 "[ ]" 1
253 1 13 ASN HB3 1 15 SER H . . 5.500 5.056 5.056 5.056 . 0 0 "[ ]" 1
254 1 13 ASN HD21 1 14 ALA H . . 5.500 4.767 4.767 4.767 . 0 0 "[ ]" 1
255 1 14 ALA H 1 14 ALA MB . . 3.080 2.162 2.162 2.162 . 0 0 "[ ]" 1
256 1 14 ALA H 1 15 SER H . . 3.850 2.926 2.926 2.926 . 0 0 "[ ]" 1
257 1 14 ALA H 1 15 SER HA . . 5.480 5.449 5.449 5.449 . 0 0 "[ ]" 1
258 1 14 ALA H 1 16 ARG H . . 4.870 3.707 3.707 3.707 . 0 0 "[ ]" 1
259 1 14 ALA MB 1 15 SER H . . 3.550 2.275 2.275 2.275 . 0 0 "[ ]" 1
260 1 15 SER H 1 15 SER HB2 . . 3.590 2.183 2.183 2.183 . 0 0 "[ ]" 1
261 1 15 SER H 1 15 SER QB . . 3.080 2.155 2.155 2.155 . 0 0 "[ ]" 1
262 1 15 SER H 1 15 SER HB3 . . 3.590 3.322 3.322 3.322 . 0 0 "[ ]" 1
263 1 15 SER H 1 16 ARG H . . 3.700 2.447 2.447 2.447 . 0 0 "[ ]" 1
264 1 15 SER H 1 16 ARG QB . . 4.800 4.145 4.145 4.145 . 0 0 "[ ]" 1
265 1 15 SER H 1 16 ARG QG . . 4.680 4.953 4.953 4.953 0.273 1 0 "[ ]" 1
266 1 15 SER H 1 18 PHE HB2 . . 5.080 5.058 5.058 5.058 . 0 0 "[ ]" 1
267 1 15 SER HA 1 18 PHE H . . 4.120 3.757 3.757 3.757 . 0 0 "[ ]" 1
268 1 15 SER HA 1 18 PHE HB2 . . 3.490 2.542 2.542 2.542 . 0 0 "[ ]" 1
269 1 15 SER HA 1 18 PHE QD . . 4.340 2.860 2.860 2.860 . 0 0 "[ ]" 1
270 1 15 SER HA 1 18 PHE QE . . 5.500 5.064 5.064 5.064 . 0 0 "[ ]" 1
271 1 16 ARG H 1 16 ARG QB . . 3.120 2.155 2.155 2.155 . 0 0 "[ ]" 1
272 1 16 ARG HA 1 16 ARG HD2 . . 4.510 4.359 4.359 4.359 . 0 0 "[ ]" 1
273 1 16 ARG HA 1 16 ARG QD . . 3.880 3.438 3.438 3.438 . 0 0 "[ ]" 1
274 1 16 ARG HA 1 16 ARG HD3 . . 4.510 3.600 3.600 3.600 . 0 0 "[ ]" 1
275 1 16 ARG HA 1 16 ARG HE . . 5.500 5.594 5.594 5.594 0.094 1 0 "[ ]" 1
276 1 16 ARG QB 1 16 ARG QD . . 1.560 2.001 2.001 2.001 0.441 1 0 "[ ]" 1
277 1 16 ARG QD 1 17 ARG H . . 5.010 3.543 3.543 3.543 . 0 0 "[ ]" 1
278 1 17 ARG H 1 17 ARG HB3 . . 2.980 2.980 2.980 2.980 0.000 1 0 "[ ]" 1
279 1 17 ARG H 1 17 ARG HD2 . . 5.110 4.241 4.241 4.241 . 0 0 "[ ]" 1
280 1 17 ARG H 1 17 ARG HD3 . . 5.110 4.572 4.572 4.572 . 0 0 "[ ]" 1
281 1 17 ARG H 1 17 ARG HE . . 5.500 5.178 5.178 5.178 . 0 0 "[ ]" 1
282 1 17 ARG H 1 17 ARG HG2 . . 3.820 2.152 2.152 2.152 . 0 0 "[ ]" 1
283 1 17 ARG H 1 17 ARG QG . . 3.350 2.123 2.123 2.123 . 0 0 "[ ]" 1
284 1 17 ARG H 1 17 ARG HG3 . . 3.820 3.243 3.243 3.243 . 0 0 "[ ]" 1
285 1 17 ARG H 1 18 PHE H . . 3.570 2.743 2.743 2.743 . 0 0 "[ ]" 1
286 1 17 ARG H 1 18 PHE HB2 . . 5.090 3.965 3.965 3.965 . 0 0 "[ ]" 1
287 1 17 ARG H 1 18 PHE QD . . 5.500 5.232 5.232 5.232 . 0 0 "[ ]" 1
288 1 17 ARG HA 1 20 TYR H . . 3.540 3.541 3.541 3.541 0.001 1 0 "[ ]" 1
289 1 17 ARG HA 1 20 TYR QD . . 5.500 2.078 2.078 2.078 . 0 0 "[ ]" 1
290 1 17 ARG QG 1 18 PHE HA . . 4.210 3.801 3.801 3.801 . 0 0 "[ ]" 1
291 1 17 ARG HG2 1 18 PHE H . . 4.280 4.276 4.276 4.276 . 0 0 "[ ]" 1
292 1 17 ARG HG3 1 18 PHE H . . 4.280 4.280 4.280 4.280 0.000 1 0 "[ ]" 1
293 1 18 PHE H 1 18 PHE HB2 . . 3.210 2.471 2.471 2.471 . 0 0 "[ ]" 1
294 1 18 PHE H 1 18 PHE QD . . 4.450 4.211 4.211 4.211 . 0 0 "[ ]" 1
295 1 18 PHE H 1 19 ARG H . . 3.720 2.220 2.220 2.220 . 0 0 "[ ]" 1
296 1 18 PHE H 1 19 ARG HA . . 5.500 4.860 4.860 4.860 . 0 0 "[ ]" 1
297 1 18 PHE H 1 21 THR MG . . 5.500 4.165 4.165 4.165 . 0 0 "[ ]" 1
298 1 18 PHE HA 1 18 PHE QD . . 4.370 3.067 3.067 3.067 . 0 0 "[ ]" 1
299 1 18 PHE HA 1 18 PHE QE . . 4.600 4.549 4.549 4.549 . 0 0 "[ ]" 1
300 1 18 PHE HA 1 19 ARG HA . . 5.370 4.765 4.765 4.765 . 0 0 "[ ]" 1
301 1 18 PHE HA 1 21 THR H . . 4.740 3.522 3.522 3.522 . 0 0 "[ ]" 1
302 1 18 PHE HA 1 21 THR HB . . 4.280 3.880 3.880 3.880 . 0 0 "[ ]" 1
303 1 18 PHE HA 1 21 THR MG . . 4.200 1.885 1.885 1.885 . 0 0 "[ ]" 1
304 1 18 PHE HB3 1 19 ARG H . . 3.380 3.074 3.074 3.074 . 0 0 "[ ]" 1
305 1 18 PHE HB3 1 19 ARG HA . . 4.870 4.079 4.079 4.079 . 0 0 "[ ]" 1
306 1 18 PHE QD 1 19 ARG H . . 4.480 4.273 4.273 4.273 . 0 0 "[ ]" 1
307 1 18 PHE QD 1 19 ARG HA . . 4.850 3.738 3.738 3.738 . 0 0 "[ ]" 1
308 1 18 PHE QD 1 22 LEU H . . 4.420 4.143 4.143 4.143 . 0 0 "[ ]" 1
309 1 18 PHE QD 1 22 LEU HA . . 5.500 4.797 4.797 4.797 . 0 0 "[ ]" 1
310 1 18 PHE QD 1 22 LEU QB . . 4.770 2.460 2.460 2.460 . 0 0 "[ ]" 1
311 1 18 PHE QD 1 22 LEU QD . . 3.930 2.648 2.648 2.648 . 0 0 "[ ]" 1
312 1 18 PHE QD 1 22 LEU HG . . 5.030 5.031 5.031 5.031 0.001 1 0 "[ ]" 1
313 1 18 PHE QE 1 22 LEU HA . . 5.500 4.557 4.557 4.557 . 0 0 "[ ]" 1
314 1 18 PHE QE 1 22 LEU MD1 . . 4.360 1.964 1.964 1.964 . 0 0 "[ ]" 1
315 1 18 PHE QE 1 22 LEU QD . . 3.760 1.962 1.962 1.962 . 0 0 "[ ]" 1
316 1 18 PHE QE 1 22 LEU MD2 . . 4.360 4.364 4.364 4.364 0.004 1 0 "[ ]" 1
317 1 18 PHE QE 1 22 LEU HG . . 4.690 4.692 4.692 4.692 0.002 1 0 "[ ]" 1
318 1 19 ARG H 1 19 ARG QB . . 3.530 2.286 2.286 2.286 . 0 0 "[ ]" 1
319 1 19 ARG H 1 19 ARG HE . . 5.350 3.259 3.259 3.259 . 0 0 "[ ]" 1
320 1 19 ARG H 1 19 ARG QG . . 3.290 2.557 2.557 2.557 . 0 0 "[ ]" 1
321 1 19 ARG H 1 22 LEU QD . . 5.340 5.044 5.044 5.044 . 0 0 "[ ]" 1
322 1 19 ARG HA 1 19 ARG HE . . 5.500 4.694 4.694 4.694 . 0 0 "[ ]" 1
323 1 19 ARG HA 1 20 TYR HA . . 5.500 4.741 4.741 4.741 . 0 0 "[ ]" 1
324 1 19 ARG HA 1 22 LEU H . . 3.600 3.631 3.631 3.631 0.031 1 0 "[ ]" 1
325 1 19 ARG HA 1 22 LEU HB2 . . 3.960 3.890 3.890 3.890 . 0 0 "[ ]" 1
326 1 19 ARG HA 1 22 LEU QB . . 3.300 2.631 2.631 2.631 . 0 0 "[ ]" 1
327 1 19 ARG HA 1 22 LEU HB3 . . 3.960 2.676 2.676 2.676 . 0 0 "[ ]" 1
328 1 19 ARG HA 1 22 LEU QD . . 4.440 2.905 2.905 2.905 . 0 0 "[ ]" 1
329 1 19 ARG HA 1 23 ASP H . . 4.000 3.997 3.997 3.997 . 0 0 "[ ]" 1
330 1 19 ARG HA 1 23 ASP HB2 . . 5.500 4.430 4.430 4.430 . 0 0 "[ ]" 1
331 1 20 TYR H 1 20 TYR HB2 . . 3.540 2.750 2.750 2.750 . 0 0 "[ ]" 1
332 1 20 TYR H 1 20 TYR QB . . 2.910 2.666 2.666 2.666 . 0 0 "[ ]" 1
333 1 20 TYR H 1 20 TYR HB3 . . 3.540 3.583 3.583 3.583 0.043 1 0 "[ ]" 1
334 1 20 TYR H 1 20 TYR QD . . 4.230 2.597 2.597 2.597 . 0 0 "[ ]" 1
335 1 20 TYR H 1 20 TYR QE . . 5.500 3.988 3.988 3.988 . 0 0 "[ ]" 1
336 1 20 TYR H 1 21 THR H . . 4.070 2.614 2.614 2.614 . 0 0 "[ ]" 1
337 1 20 TYR H 1 21 THR MG . . 5.500 3.792 3.792 3.792 . 0 0 "[ ]" 1
338 1 20 TYR H 1 22 LEU QD . . 5.440 5.421 5.421 5.421 . 0 0 "[ ]" 1
339 1 20 TYR HA 1 20 TYR QD . . 3.880 2.777 2.777 2.777 . 0 0 "[ ]" 1
340 1 20 TYR HA 1 20 TYR QE . . 4.750 4.784 4.784 4.784 0.034 1 0 "[ ]" 1
341 1 20 TYR HA 1 21 THR HA . . 5.500 4.766 4.766 4.766 . 0 0 "[ ]" 1
342 1 20 TYR HA 1 22 LEU H . . 4.350 4.095 4.095 4.095 . 0 0 "[ ]" 1
343 1 20 TYR HA 1 23 ASP H . . 3.860 3.404 3.404 3.404 . 0 0 "[ ]" 1
344 1 20 TYR HA 1 23 ASP HB2 . . 3.910 3.619 3.619 3.619 . 0 0 "[ ]" 1
345 1 20 TYR HA 1 23 ASP HB3 . . 4.180 3.014 3.014 3.014 . 0 0 "[ ]" 1
346 1 20 TYR HA 1 24 LEU H . . 4.980 4.072 4.072 4.072 . 0 0 "[ ]" 1
347 1 20 TYR QB 1 21 THR H . . 3.520 2.398 2.398 2.398 . 0 0 "[ ]" 1
348 1 20 TYR HB2 1 21 THR H . . 4.050 2.426 2.426 2.426 . 0 0 "[ ]" 1
349 1 20 TYR HB2 1 23 ASP H . . 5.500 5.387 5.387 5.387 . 0 0 "[ ]" 1
350 1 20 TYR HB3 1 21 THR H . . 4.050 3.755 3.755 3.755 . 0 0 "[ ]" 1
351 1 20 TYR HB3 1 23 ASP H . . 5.500 5.374 5.374 5.374 . 0 0 "[ ]" 1
352 1 20 TYR QD 1 21 THR H . . 4.350 3.511 3.511 3.511 . 0 0 "[ ]" 1
353 1 20 TYR QD 1 21 THR HA . . 5.500 5.614 5.614 5.614 0.114 1 0 "[ ]" 1
354 1 20 TYR QD 1 23 ASP HB3 . . 5.500 5.024 5.024 5.024 . 0 0 "[ ]" 1
355 1 21 THR H 1 21 THR HB . . 3.440 2.495 2.495 2.495 . 0 0 "[ ]" 1
356 1 21 THR H 1 21 THR MG . . 3.870 2.155 2.155 2.155 . 0 0 "[ ]" 1
357 1 21 THR HA 1 21 THR MG . . 3.280 3.202 3.202 3.202 . 0 0 "[ ]" 1
358 1 21 THR HA 1 24 LEU H . . 4.060 3.574 3.574 3.574 . 0 0 "[ ]" 1
359 1 21 THR HA 1 24 LEU QB . . 3.110 2.614 2.614 2.614 . 0 0 "[ ]" 1
360 1 21 THR HA 1 24 LEU QD . . 4.800 3.049 3.049 3.049 . 0 0 "[ ]" 1
361 1 21 THR MG 1 22 LEU H . . 4.680 2.289 2.289 2.289 . 0 0 "[ ]" 1
362 1 21 THR MG 1 22 LEU HA . . 4.570 3.292 3.292 3.292 . 0 0 "[ ]" 1
363 1 21 THR MG 1 23 ASP H . . 5.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
364 1 21 THR MG 1 24 LEU H . . 5.500 4.959 4.959 4.959 . 0 0 "[ ]" 1
365 1 22 LEU H 1 22 LEU HB2 . . 4.140 2.745 2.745 2.745 . 0 0 "[ ]" 1
366 1 22 LEU H 1 22 LEU QB . . 3.380 2.246 2.246 2.246 . 0 0 "[ ]" 1
367 1 22 LEU H 1 22 LEU HB3 . . 4.140 2.384 2.384 2.384 . 0 0 "[ ]" 1
368 1 22 LEU H 1 22 LEU QD . . 4.600 3.691 3.691 3.691 . 0 0 "[ ]" 1
369 1 22 LEU H 1 23 ASP H . . 3.600 2.373 2.373 2.373 . 0 0 "[ ]" 1
370 1 22 LEU H 1 23 ASP HB2 . . 4.810 4.586 4.586 4.586 . 0 0 "[ ]" 1
371 1 22 LEU HA 1 22 LEU MD1 . . 4.280 3.136 3.136 3.136 . 0 0 "[ ]" 1
372 1 22 LEU HA 1 22 LEU QD . . 3.580 3.000 3.000 3.000 . 0 0 "[ ]" 1
373 1 22 LEU HA 1 22 LEU MD2 . . 4.280 3.824 3.824 3.824 . 0 0 "[ ]" 1
374 1 22 LEU HA 1 23 ASP HA . . 4.990 4.716 4.716 4.716 . 0 0 "[ ]" 1
375 1 22 LEU QB 1 22 LEU QD . . 1.570 1.704 1.704 1.704 0.134 1 0 "[ ]" 1
376 1 22 LEU QB 1 23 ASP H . . 3.670 2.679 2.679 2.679 . 0 0 "[ ]" 1
377 1 22 LEU HB2 1 22 LEU MD1 . . 3.520 1.940 1.940 1.940 . 0 0 "[ ]" 1
378 1 22 LEU HB2 1 22 LEU MD2 . . 3.520 2.906 2.906 2.906 . 0 0 "[ ]" 1
379 1 22 LEU HB2 1 23 ASP H . . 4.290 3.987 3.987 3.987 . 0 0 "[ ]" 1
380 1 22 LEU HB3 1 22 LEU MD1 . . 3.520 2.913 2.913 2.913 . 0 0 "[ ]" 1
381 1 22 LEU HB3 1 22 LEU MD2 . . 3.520 1.938 1.938 1.938 . 0 0 "[ ]" 1
382 1 22 LEU HB3 1 23 ASP H . . 4.290 2.722 2.722 2.722 . 0 0 "[ ]" 1
383 1 22 LEU QD 1 23 ASP H . . 4.780 3.446 3.446 3.446 . 0 0 "[ ]" 1
384 1 22 LEU MD1 1 23 ASP H . . 5.500 4.904 4.904 4.904 . 0 0 "[ ]" 1
385 1 22 LEU MD2 1 23 ASP H . . 5.500 3.521 3.521 3.521 . 0 0 "[ ]" 1
386 1 23 ASP H 1 23 ASP HB2 . . 3.320 2.432 2.432 2.432 . 0 0 "[ ]" 1
387 1 23 ASP HA 1 25 LYS H . . 4.510 3.713 3.713 3.713 . 0 0 "[ ]" 1
388 1 23 ASP HB2 1 24 LEU H . . 4.740 3.926 3.926 3.926 . 0 0 "[ ]" 1
389 1 23 ASP HB3 1 24 LEU H . . 4.960 2.979 2.979 2.979 . 0 0 "[ ]" 1
390 1 23 ASP HB3 1 24 LEU HA . . 4.920 4.090 4.090 4.090 . 0 0 "[ ]" 1
391 1 24 LEU H 1 24 LEU HB2 . . 4.180 2.142 2.142 2.142 . 0 0 "[ ]" 1
392 1 24 LEU H 1 24 LEU QB . . 3.480 2.094 2.094 2.094 . 0 0 "[ ]" 1
393 1 24 LEU H 1 24 LEU HB3 . . 4.180 2.949 2.949 2.949 . 0 0 "[ ]" 1
394 1 24 LEU HA 1 24 LEU MD1 . . 4.080 2.301 2.301 2.301 . 0 0 "[ ]" 1
395 1 24 LEU HA 1 24 LEU QD . . 3.440 2.283 2.283 2.283 . 0 0 "[ ]" 1
396 1 24 LEU HA 1 24 LEU MD2 . . 4.080 3.822 3.822 3.822 . 0 0 "[ ]" 1
397 1 24 LEU QB 1 25 LYS H . . 3.380 2.827 2.827 2.827 . 0 0 "[ ]" 1
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 8:43:53 PM GMT (wattos1)