NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
560439 |
2lwa   |
18617 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwa
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 306
_Distance_constraint_stats_list.Viol_count 1267
_Distance_constraint_stats_list.Viol_total 20883.807
_Distance_constraint_stats_list.Viol_max 4.152
_Distance_constraint_stats_list.Viol_rms 0.5329
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1706
_Distance_constraint_stats_list.Viol_average_violations_only 0.8241
_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 LEU 40.901 0.974 18 16 "[******** ** *.**+**]"
1 3 PHE 15.828 0.606 4 6 "[** +. * - . * 2]"
1 4 GLY 0.075 0.072 4 0 "[ . 1 . 2]"
1 5 ALA 70.662 1.276 13 20 [************+******-]
1 6 ILE 6.815 0.767 1 3 "[+ - . 1 . * 2]"
1 7 ALA 13.352 0.531 6 1 "[ .+ 1 . 2]"
1 8 ALA 0.440 0.045 19 0 "[ . 1 . 2]"
1 9 PHE 141.569 1.806 9 20 [********+***-*******]
1 10 ILE 162.554 3.420 10 20 [*******-*+**********]
1 11 GLU 4.513 0.367 14 0 "[ . 1 . 2]"
1 12 GLY 2.236 0.185 2 0 "[ . 1 . 2]"
1 13 GLY 72.376 1.806 9 20 [********+**********-]
1 14 TRP 526.676 3.420 10 20 [*********+-*********]
1 15 THR 228.369 3.140 18 20 [******-**********+**]
1 16 GLY 10.361 0.595 14 2 "[ . - 1 +. 2]"
1 17 MET 135.384 2.101 18 20 [**********-******+**]
1 18 ILE 326.857 4.152 18 20 [**-**************+**]
1 19 ASP 2.414 0.271 6 0 "[ . 1 . 2]"
1 20 GLY 0.019 0.019 18 0 "[ . 1 . 2]"
1 21 TRP 311.461 4.152 18 20 [***********-*****+**]
1 22 TYR 45.775 1.368 2 20 [*+*********-********]
1 23 GLY 0.000 0.000 . 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 LEU HA 1 2 LEU QB 2.500 . 3.130 2.363 2.330 2.412 . 0 0 "[ . 1 . 2]" 1
2 1 2 LEU HA 1 2 LEU QD 2.260 . 3.090 2.131 2.033 2.249 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU HA 1 2 LEU HG 3.800 2.850 4.750 2.966 2.619 3.225 0.231 12 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 3 PHE H 4.000 3.200 4.800 3.563 3.543 3.579 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU HA 1 5 ALA H 3.400 2.720 4.080 3.647 3.527 3.806 . 0 0 "[ . 1 . 2]" 1
6 1 2 LEU HA 1 5 ALA MB 2.600 . 3.250 2.886 2.615 3.148 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU HA 1 6 ILE H 4.600 3.680 5.520 4.485 4.263 4.683 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU HA 1 6 ILE MD 5.000 3.750 6.250 4.584 4.333 4.811 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU QB 1 2 LEU MD1 2.400 . 3.120 2.239 2.198 2.308 . 0 0 "[ . 1 . 2]" 1
10 1 2 LEU QB 1 2 LEU MD2 2.300 . 2.990 2.110 2.083 2.122 . 0 0 "[ . 1 . 2]" 1
11 1 2 LEU QB 1 3 PHE QR 4.900 3.430 6.370 3.135 2.831 3.460 0.599 17 3 "[* . - 1 . + 2]" 1
12 1 2 LEU QB 1 21 TRP HZ3 5.000 3.500 6.500 2.907 2.526 3.603 0.974 18 14 "[ ******* ** -.* +**]" 1
13 1 2 LEU QD 1 3 PHE HA 2.850 2.050 3.650 4.056 3.909 4.256 0.606 4 3 "[ * +. - . 2]" 1
14 1 2 LEU MD1 1 2 LEU HG 2.800 . 3.640 2.150 2.139 2.159 . 0 0 "[ . 1 . 2]" 1
15 1 2 LEU MD1 1 5 ALA MB 3.100 2.170 4.030 3.305 2.859 4.170 0.140 15 0 "[ . 1 . 2]" 1
16 1 2 LEU MD1 1 21 TRP HZ3 4.100 2.870 5.330 2.509 2.309 2.894 0.561 17 2 "[ . 1 . +- 2]" 1
17 1 2 LEU MD2 1 3 PHE QR 3.700 2.590 4.810 3.285 2.900 3.684 . 0 0 "[ . 1 . 2]" 1
18 1 2 LEU MD2 1 6 ILE HB 4.300 3.010 5.590 5.887 5.463 6.357 0.767 1 3 "[+ - . 1 . * 2]" 1
19 1 2 LEU MD2 1 21 TRP HZ3 5.500 3.850 7.150 4.465 3.912 5.104 . 0 0 "[ . 1 . 2]" 1
20 1 2 LEU HG 1 3 PHE QR 5.500 3.850 7.150 4.100 3.601 4.423 0.249 1 0 "[ . 1 . 2]" 1
21 1 2 LEU HG 1 6 ILE MD 3.100 2.170 4.030 2.638 2.292 2.906 . 0 0 "[ . 1 . 2]" 1
22 1 3 PHE H 1 3 PHE HA 2.800 2.240 3.360 2.840 2.831 2.848 . 0 0 "[ . 1 . 2]" 1
23 1 3 PHE H 1 3 PHE QB 2.200 . 2.750 2.448 2.370 2.531 . 0 0 "[ . 1 . 2]" 1
24 1 3 PHE H 1 4 GLY H 2.900 2.320 3.480 2.650 2.600 2.705 . 0 0 "[ . 1 . 2]" 1
25 1 3 PHE H 1 4 GLY HA3 4.500 3.600 5.400 4.911 4.864 4.975 . 0 0 "[ . 1 . 2]" 1
26 1 3 PHE HA 1 3 PHE QB 2.400 . 3.000 2.371 2.343 2.418 . 0 0 "[ . 1 . 2]" 1
27 1 3 PHE HA 1 3 PHE QR 3.100 2.320 3.880 2.685 2.376 2.878 . 0 0 "[ . 1 . 2]" 1
28 1 3 PHE HA 1 4 GLY H 3.900 3.120 4.680 3.497 3.482 3.514 . 0 0 "[ . 1 . 2]" 1
29 1 3 PHE HA 1 6 ILE H 2.900 2.320 3.480 3.076 3.039 3.135 . 0 0 "[ . 1 . 2]" 1
30 1 3 PHE HA 1 6 ILE HB 3.100 2.320 3.880 2.906 2.708 3.219 . 0 0 "[ . 1 . 2]" 1
31 1 3 PHE HA 1 6 ILE MD 2.900 2.170 3.630 2.567 2.330 2.833 . 0 0 "[ . 1 . 2]" 1
32 1 3 PHE QB 1 3 PHE QR 3.000 2.100 3.900 2.144 2.138 2.161 . 0 0 "[ . 1 . 2]" 1
33 1 3 PHE QB 1 4 GLY H 3.300 2.470 4.130 2.545 2.398 2.644 0.072 4 0 "[ . 1 . 2]" 1
34 1 3 PHE QR 1 5 ALA MB 5.400 3.780 7.020 5.785 5.650 5.875 . 0 0 "[ . 1 . 2]" 1
35 1 3 PHE QR 1 6 ILE MD 3.400 2.380 4.420 3.298 2.805 3.674 . 0 0 "[ . 1 . 2]" 1
36 1 3 PHE QR 1 7 ALA MB 3.900 2.730 5.070 5.062 4.753 5.361 0.291 11 0 "[ . 1 . 2]" 1
37 1 4 GLY H 1 4 GLY HA2 3.000 2.400 3.600 2.800 2.784 2.826 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY H 1 4 GLY HA3 2.600 2.080 3.120 2.298 2.291 2.301 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLY H 1 5 ALA H 2.900 2.320 3.480 2.714 2.631 2.761 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY QA 1 7 ALA MB 3.000 2.250 3.750 2.669 2.546 2.790 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY HA2 1 5 ALA H 3.300 2.640 3.960 3.539 3.514 3.555 . 0 0 "[ . 1 . 2]" 1
42 1 4 GLY HA2 1 7 ALA H 4.200 3.360 5.040 3.602 3.540 3.653 . 0 0 "[ . 1 . 2]" 1
43 1 4 GLY HA3 1 5 ALA H 3.100 2.480 3.720 2.864 2.838 2.928 . 0 0 "[ . 1 . 2]" 1
44 1 5 ALA H 1 5 ALA HA 2.500 . 3.000 2.837 2.827 2.846 . 0 0 "[ . 1 . 2]" 1
45 1 5 ALA H 1 5 ALA MB 2.200 . 2.750 2.181 2.047 2.232 . 0 0 "[ . 1 . 2]" 1
46 1 5 ALA H 1 6 ILE H 2.200 . 2.640 2.653 2.637 2.682 0.042 11 0 "[ . 1 . 2]" 1
47 1 5 ALA H 1 7 ALA H 3.900 3.120 4.680 4.159 4.090 4.238 . 0 0 "[ . 1 . 2]" 1
48 1 5 ALA H 1 7 ALA MB 4.500 3.370 5.630 4.849 4.748 4.962 . 0 0 "[ . 1 . 2]" 1
49 1 5 ALA HA 1 5 ALA MB 2.000 . 2.500 2.137 2.125 2.144 . 0 0 "[ . 1 . 2]" 1
50 1 5 ALA HA 1 7 ALA H 3.500 2.800 4.200 4.651 4.609 4.731 0.531 6 1 "[ .+ 1 . 2]" 1
51 1 5 ALA HA 1 17 MET ME 4.000 3.000 5.000 5.884 5.565 6.161 1.161 10 20 [*******-*+**********] 1
52 1 5 ALA MB 1 6 ILE H 2.900 2.170 3.630 2.493 2.395 2.643 . 0 0 "[ . 1 . 2]" 1
53 1 5 ALA MB 1 6 ILE HA 4.100 3.070 5.130 3.774 3.696 3.831 . 0 0 "[ . 1 . 2]" 1
54 1 5 ALA MB 1 9 PHE QR 5.300 3.710 6.890 5.330 5.192 5.449 . 0 0 "[ . 1 . 2]" 1
55 1 5 ALA MB 1 17 MET QG 3.700 2.590 4.810 2.224 2.060 2.344 0.530 8 1 "[ . + 1 . 2]" 1
56 1 5 ALA MB 1 21 TRP H 5.900 4.420 7.380 3.202 3.144 3.317 1.276 13 20 [******-*****+*******] 1
57 1 5 ALA MB 1 21 TRP HA 3.700 2.770 4.630 2.761 2.556 3.188 0.214 5 0 "[ . 1 . 2]" 1
58 1 5 ALA MB 1 21 TRP QB 4.200 2.940 5.460 2.525 2.317 2.758 0.623 13 3 "[ . 1 + .* -]" 1
59 1 5 ALA MB 1 21 TRP HE3 3.600 2.520 4.680 2.433 2.272 2.885 0.248 1 0 "[ . 1 . 2]" 1
60 1 5 ALA MB 1 21 TRP HZ3 5.200 3.640 6.760 4.032 3.832 4.624 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE H 1 6 ILE HA 2.800 2.240 3.360 2.844 2.835 2.857 . 0 0 "[ . 1 . 2]" 1
62 1 6 ILE H 1 6 ILE HB 2.300 . 2.760 2.488 2.420 2.563 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE H 1 6 ILE MD 3.700 2.770 4.630 3.427 3.329 3.503 . 0 0 "[ . 1 . 2]" 1
64 1 6 ILE H 1 6 ILE QG 2.200 . 2.750 2.113 1.980 2.268 . 0 0 "[ . 1 . 2]" 1
65 1 6 ILE H 1 6 ILE MG 3.400 2.550 4.250 3.765 3.749 3.806 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE H 1 7 ALA H 2.200 . 2.640 2.647 2.607 2.688 0.048 20 0 "[ . 1 . 2]" 1
67 1 6 ILE H 1 7 ALA MB 4.500 3.370 5.630 4.295 4.216 4.346 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE HA 1 6 ILE HB 3.400 2.550 4.250 3.032 3.026 3.039 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE HA 1 6 ILE MD 3.300 2.470 4.130 3.837 3.811 3.881 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE HA 1 6 ILE QG 2.600 . 3.250 2.410 2.370 2.468 . 0 0 "[ . 1 . 2]" 1
71 1 6 ILE HA 1 6 ILE MG 2.400 . 3.000 2.364 2.274 2.452 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE HA 1 7 ALA H 3.900 3.120 4.680 3.552 3.544 3.568 . 0 0 "[ . 1 . 2]" 1
73 1 6 ILE HA 1 7 ALA MB 5.200 3.900 6.500 5.038 5.030 5.047 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE HA 1 8 ALA H 4.600 3.680 5.520 4.610 4.534 4.656 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE HA 1 9 PHE H 3.300 2.640 3.960 3.481 3.368 3.556 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE HA 1 9 PHE HA 5.100 4.080 6.120 5.242 5.051 5.338 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE HA 1 9 PHE QB 3.200 2.400 4.000 2.489 2.319 2.567 0.081 7 0 "[ . 1 . 2]" 1
78 1 6 ILE HB 1 6 ILE MD 2.600 . 3.380 2.287 2.243 2.339 . 0 0 "[ . 1 . 2]" 1
79 1 6 ILE HB 1 6 ILE MG 2.300 . 2.990 2.154 2.148 2.163 . 0 0 "[ . 1 . 2]" 1
80 1 6 ILE HB 1 7 ALA H 2.400 . 2.880 2.508 2.445 2.572 . 0 0 "[ . 1 . 2]" 1
81 1 6 ILE HB 1 7 ALA HA 5.400 4.050 6.750 4.297 4.197 4.395 . 0 0 "[ . 1 . 2]" 1
82 1 6 ILE HB 1 10 ILE MD 4.300 3.010 5.590 4.825 4.562 5.051 . 0 0 "[ . 1 . 2]" 1
83 1 6 ILE MD 1 6 ILE QG 2.100 . 2.730 1.718 1.683 1.779 . 0 0 "[ . 1 . 2]" 1
84 1 6 ILE MD 1 7 ALA H 5.000 3.750 6.250 4.363 4.253 4.454 . 0 0 "[ . 1 . 2]" 1
85 1 6 ILE MD 1 9 PHE QR 5.000 3.500 6.500 5.767 5.561 6.047 . 0 0 "[ . 1 . 2]" 1
86 1 6 ILE MD 1 10 ILE HB 5.100 3.570 8.100 7.738 7.376 7.969 . 0 0 "[ . 1 . 2]" 1
87 1 6 ILE MG 1 7 ALA H 3.400 2.550 4.250 3.379 3.270 3.506 . 0 0 "[ . 1 . 2]" 1
88 1 6 ILE MG 1 7 ALA HA 3.200 2.400 4.000 3.457 3.333 3.650 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE MG 1 9 PHE QB 4.100 2.870 5.330 3.555 3.359 3.693 . 0 0 "[ . 1 . 2]" 1
90 1 6 ILE MG 1 9 PHE QR 3.900 2.730 5.070 3.643 3.350 3.960 . 0 0 "[ . 1 . 2]" 1
91 1 7 ALA H 1 7 ALA HA . 2.960 3.120 2.838 2.831 2.846 0.129 17 0 "[ . 1 . 2]" 1
92 1 7 ALA H 1 7 ALA MB 2.100 . 2.630 2.188 2.058 2.237 . 0 0 "[ . 1 . 2]" 1
93 1 7 ALA H 1 8 ALA H 2.300 . 2.760 2.646 2.626 2.659 . 0 0 "[ . 1 . 2]" 1
94 1 7 ALA H 1 9 PHE H 3.900 3.120 4.680 3.849 3.776 3.940 . 0 0 "[ . 1 . 2]" 1
95 1 7 ALA HA 1 7 ALA MB 2.200 . 2.750 2.136 2.124 2.147 . 0 0 "[ . 1 . 2]" 1
96 1 7 ALA HA 1 8 ALA MB 4.000 3.000 5.000 5.022 5.009 5.045 0.045 19 0 "[ . 1 . 2]" 1
97 1 7 ALA HA 1 10 ILE HB 3.300 2.470 4.130 3.426 3.238 3.623 . 0 0 "[ . 1 . 2]" 1
98 1 7 ALA HA 1 10 ILE MD 2.900 2.170 3.630 2.850 2.563 3.335 . 0 0 "[ . 1 . 2]" 1
99 1 7 ALA HA 1 10 ILE QG 3.700 2.770 4.630 3.764 3.424 4.183 . 0 0 "[ . 1 . 2]" 1
100 1 7 ALA MB 1 8 ALA H 2.600 . 3.250 2.469 2.408 2.596 . 0 0 "[ . 1 . 2]" 1
101 1 7 ALA MB 1 10 ILE HB 4.200 2.940 5.460 4.623 4.505 4.820 . 0 0 "[ . 1 . 2]" 1
102 1 7 ALA MB 1 10 ILE MD 3.900 2.730 5.070 4.118 3.934 4.497 . 0 0 "[ . 1 . 2]" 1
103 1 8 ALA H 1 8 ALA HA 2.400 . 2.880 2.838 2.829 2.865 . 0 0 "[ . 1 . 2]" 1
104 1 8 ALA H 1 8 ALA MB 2.000 . 2.500 2.228 2.210 2.248 . 0 0 "[ . 1 . 2]" 1
105 1 8 ALA H 1 9 PHE H 2.300 . 2.760 2.548 2.469 2.595 . 0 0 "[ . 1 . 2]" 1
106 1 8 ALA HA 1 8 ALA MB 1.900 . 2.380 2.133 2.126 2.147 . 0 0 "[ . 1 . 2]" 1
107 1 8 ALA HA 1 9 PHE H 3.600 2.880 4.320 3.496 3.461 3.537 . 0 0 "[ . 1 . 2]" 1
108 1 8 ALA HA 1 11 GLU H 3.500 2.800 4.200 3.214 3.163 3.273 . 0 0 "[ . 1 . 2]" 1
109 1 8 ALA HA 1 11 GLU QB 3.000 2.250 3.750 2.491 2.358 2.615 . 0 0 "[ . 1 . 2]" 1
110 1 8 ALA MB 1 9 PHE H 3.000 2.250 3.750 2.788 2.681 2.927 . 0 0 "[ . 1 . 2]" 1
111 1 8 ALA MB 1 9 PHE HA 4.000 3.000 5.000 3.853 3.820 3.912 . 0 0 "[ . 1 . 2]" 1
112 1 8 ALA MB 1 9 PHE QB 4.900 3.430 6.370 4.010 3.951 4.083 . 0 0 "[ . 1 . 2]" 1
113 1 8 ALA MB 1 9 PHE QR 4.900 3.430 6.370 5.170 5.102 5.243 . 0 0 "[ . 1 . 2]" 1
114 1 8 ALA MB 1 11 GLU QB 4.200 2.940 5.460 3.918 3.821 3.994 . 0 0 "[ . 1 . 2]" 1
115 1 8 ALA MB 1 17 MET QB 4.800 3.360 6.240 4.303 4.123 4.487 . 0 0 "[ . 1 . 2]" 1
116 1 9 PHE H 1 9 PHE HA 2.700 2.160 3.240 2.817 2.792 2.845 . 0 0 "[ . 1 . 2]" 1
117 1 9 PHE H 1 9 PHE QB 2.000 . 2.500 2.230 2.207 2.248 . 0 0 "[ . 1 . 2]" 1
118 1 9 PHE HA 1 9 PHE QB 2.500 . 3.130 2.311 2.297 2.326 . 0 0 "[ . 1 . 2]" 1
119 1 9 PHE HA 1 9 PHE QR 3.000 2.250 3.750 2.418 2.282 2.891 . 0 0 "[ . 1 . 2]" 1
120 1 9 PHE HA 1 10 ILE H 3.800 3.040 4.560 3.507 3.495 3.529 . 0 0 "[ . 1 . 2]" 1
121 1 9 PHE HA 1 12 GLY H 3.900 3.120 4.680 4.040 3.930 4.186 . 0 0 "[ . 1 . 2]" 1
122 1 9 PHE HA 1 13 GLY H 4.000 3.200 4.800 3.883 3.173 4.172 0.027 7 0 "[ . 1 . 2]" 1
123 1 9 PHE HA 1 13 GLY QA 5.200 4.720 6.240 3.438 3.319 3.560 1.401 3 20 [**+****************-] 1
124 1 9 PHE HA 1 14 TRP HD1 5.500 4.120 6.880 7.484 7.232 7.762 0.882 8 15 "[ ****-*+ ** **** **]" 1
125 1 9 PHE HA 1 17 MET QB 4.800 3.600 6.000 2.918 2.635 3.145 0.965 7 19 [*-****+*******.*****] 1
126 1 9 PHE QB 1 9 PHE QR 2.900 2.030 3.770 2.164 2.145 2.177 . 0 0 "[ . 1 . 2]" 1
127 1 9 PHE QB 1 10 ILE H 2.800 2.100 3.500 2.610 2.534 2.656 . 0 0 "[ . 1 . 2]" 1
128 1 9 PHE QB 1 10 ILE MG 4.100 2.870 5.330 5.241 5.164 5.296 . 0 0 "[ . 1 . 2]" 1
129 1 9 PHE QB 1 17 MET QB 4.800 3.360 6.240 2.460 2.378 2.690 0.982 14 20 [*************+*****-] 1
130 1 9 PHE QB 1 17 MET ME 4.400 3.080 5.720 4.701 4.422 5.029 . 0 0 "[ . 1 . 2]" 1
131 1 9 PHE QR 1 10 ILE MD 4.000 2.800 5.200 3.890 3.672 4.075 . 0 0 "[ . 1 . 2]" 1
132 1 9 PHE QR 1 10 ILE QG 4.100 2.870 5.330 2.634 2.257 2.883 0.613 8 1 "[ . + 1 . 2]" 1
133 1 9 PHE QR 1 10 ILE MG 3.700 2.590 4.810 4.443 3.940 4.667 . 0 0 "[ . 1 . 2]" 1
134 1 9 PHE QR 1 13 GLY QA 6.500 4.870 7.500 3.152 3.064 3.590 1.806 9 20 [*******-+***********] 1
135 1 9 PHE QR 1 14 TRP HA 3.900 2.920 4.880 2.503 2.251 2.883 0.669 9 6 "[ * . +1 *- * * 2]" 1
136 1 9 PHE QR 1 14 TRP HE3 5.000 3.500 6.500 3.394 3.175 3.791 0.325 2 0 "[ . 1 . 2]" 1
137 1 9 PHE QR 1 17 MET HA 6.200 4.650 7.750 4.396 4.225 4.530 0.425 9 0 "[ . 1 . 2]" 1
138 1 9 PHE QR 1 17 MET QB 4.600 3.220 5.980 2.383 2.325 2.485 0.895 14 20 [************-+******] 1
139 1 9 PHE QR 1 17 MET ME 3.700 2.590 4.810 3.986 3.499 4.445 . 0 0 "[ . 1 . 2]" 1
140 1 9 PHE QR 1 17 MET QG 5.400 3.780 7.020 4.046 3.527 4.271 0.253 8 0 "[ . 1 . 2]" 1
141 1 10 ILE H 1 10 ILE HA 2.800 2.240 3.360 2.881 2.865 2.911 . 0 0 "[ . 1 . 2]" 1
142 1 10 ILE H 1 10 ILE HB 2.400 . 2.880 2.489 2.417 2.546 . 0 0 "[ . 1 . 2]" 1
143 1 10 ILE H 1 10 ILE MD 3.400 2.550 4.250 3.423 3.272 3.553 . 0 0 "[ . 1 . 2]" 1
144 1 10 ILE H 1 10 ILE QG 2.300 . 2.880 2.110 2.011 2.247 . 0 0 "[ . 1 . 2]" 1
145 1 10 ILE H 1 10 ILE MG 3.400 2.550 4.250 3.758 3.747 3.770 . 0 0 "[ . 1 . 2]" 1
146 1 10 ILE HA 1 10 ILE HB 3.200 2.400 4.000 3.021 3.014 3.028 . 0 0 "[ . 1 . 2]" 1
147 1 10 ILE HA 1 10 ILE MD 3.200 2.400 4.000 3.827 3.804 3.854 . 0 0 "[ . 1 . 2]" 1
148 1 10 ILE HA 1 10 ILE QG 2.800 2.100 3.500 2.415 2.374 2.454 . 0 0 "[ . 1 . 2]" 1
149 1 10 ILE HA 1 10 ILE MG 2.400 . 3.000 2.308 2.282 2.360 . 0 0 "[ . 1 . 2]" 1
150 1 10 ILE HA 1 11 GLU H 3.200 2.560 3.840 3.544 3.483 3.573 . 0 0 "[ . 1 . 2]" 1
151 1 10 ILE HB 1 10 ILE MD 2.700 . 3.510 2.303 2.253 2.336 . 0 0 "[ . 1 . 2]" 1
152 1 10 ILE HB 1 10 ILE MG 2.300 . 2.990 2.156 2.148 2.163 . 0 0 "[ . 1 . 2]" 1
153 1 10 ILE MD 1 10 ILE QG 2.200 . 2.860 1.906 1.881 1.916 . 0 0 "[ . 1 . 2]" 1
154 1 10 ILE MD 1 11 GLU H 5.300 3.970 6.630 4.614 4.379 4.831 . 0 0 "[ . 1 . 2]" 1
155 1 10 ILE MD 1 14 TRP HE3 5.800 4.060 7.540 10.650 10.348 10.960 3.420 10 20 [*********+*********-] 1
156 1 10 ILE QG 1 10 ILE MG 2.300 . 2.990 2.269 2.245 2.299 . 0 0 "[ . 1 . 2]" 1
157 1 10 ILE MG 1 11 GLU H 3.900 2.920 4.880 3.667 3.426 3.827 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE MG 1 11 GLU QG 4.200 2.940 5.460 4.240 4.031 4.531 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE MG 1 12 GLY H 5.400 4.050 6.750 5.529 5.348 5.664 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE MG 1 14 TRP HA 5.300 3.970 6.630 8.838 8.688 8.987 2.357 3 20 [**+********-********] 1
161 1 10 ILE MG 1 14 TRP HE3 4.200 2.940 5.460 8.033 7.682 8.227 2.767 1 20 [+******-************] 1
162 1 11 GLU H 1 11 GLU HA 2.600 2.080 3.120 2.919 2.890 2.944 . 0 0 "[ . 1 . 2]" 1
163 1 11 GLU H 1 11 GLU QB 1.900 . 2.380 2.167 2.112 2.220 . 0 0 "[ . 1 . 2]" 1
164 1 11 GLU H 1 11 GLU QG 2.800 2.100 3.500 3.651 3.515 3.867 0.367 14 0 "[ . 1 . 2]" 1
165 1 11 GLU HA 1 11 GLU QB 2.500 . 3.130 2.493 2.453 2.544 . 0 0 "[ . 1 . 2]" 1
166 1 11 GLU HA 1 11 GLU QG 3.200 2.400 4.000 2.326 2.238 2.417 0.162 17 0 "[ . 1 . 2]" 1
167 1 11 GLU QB 1 11 GLU QG 2.600 . 3.380 2.021 2.009 2.039 . 0 0 "[ . 1 . 2]" 1
168 1 11 GLU QB 1 12 GLY H 2.800 2.100 3.500 2.454 2.321 2.532 . 0 0 "[ . 1 . 2]" 1
169 1 11 GLU QG 1 12 GLY H 3.800 2.850 4.750 4.381 4.301 4.447 . 0 0 "[ . 1 . 2]" 1
170 1 12 GLY H 1 12 GLY HA2 2.500 . 3.000 2.971 2.957 2.986 . 0 0 "[ . 1 . 2]" 1
171 1 12 GLY H 1 12 GLY HA3 2.400 . 2.880 2.433 2.408 2.456 . 0 0 "[ . 1 . 2]" 1
172 1 12 GLY HA2 1 13 GLY H 3.800 3.040 4.560 2.961 2.855 3.371 0.185 2 0 "[ . 1 . 2]" 1
173 1 13 GLY H 1 13 GLY QA 3.000 2.400 3.600 2.199 2.181 2.252 0.219 6 0 "[ . 1 . 2]" 1
174 1 13 GLY QA 1 14 TRP H 3.100 2.480 3.720 2.175 2.150 2.185 0.330 7 0 "[ . 1 . 2]" 1
175 1 14 TRP H 1 14 TRP HA 3.200 2.560 3.840 2.784 2.776 2.803 . 0 0 "[ . 1 . 2]" 1
176 1 14 TRP H 1 14 TRP QB 2.400 . 3.000 2.252 2.240 2.260 . 0 0 "[ . 1 . 2]" 1
177 1 14 TRP HA 1 14 TRP QB 2.400 . 3.000 2.356 2.322 2.371 . 0 0 "[ . 1 . 2]" 1
178 1 14 TRP HA 1 14 TRP HD1 4.200 3.150 5.250 3.972 3.826 4.160 . 0 0 "[ . 1 . 2]" 1
179 1 14 TRP HA 1 14 TRP HE3 2.800 2.100 3.500 3.335 2.998 3.584 0.084 7 0 "[ . 1 . 2]" 1
180 1 14 TRP HA 1 14 TRP HZ3 6.100 4.570 7.630 5.435 5.114 5.666 . 0 0 "[ . 1 . 2]" 1
181 1 14 TRP HA 1 15 THR MG 5.800 4.350 7.250 6.146 6.122 6.179 . 0 0 "[ . 1 . 2]" 1
182 1 14 TRP HA 1 17 MET H 4.300 3.440 5.160 3.347 3.247 3.489 0.193 9 0 "[ . 1 . 2]" 1
183 1 14 TRP HA 1 17 MET QB 3.600 2.700 4.500 2.763 2.670 2.853 0.030 20 0 "[ . 1 . 2]" 1
184 1 14 TRP HA 1 17 MET ME 3.400 2.550 4.250 3.578 3.124 4.209 . 0 0 "[ . 1 . 2]" 1
185 1 14 TRP HA 1 17 MET QG 4.700 3.520 5.880 4.799 4.693 4.898 . 0 0 "[ . 1 . 2]" 1
186 1 14 TRP HA 1 18 ILE MD 5.200 3.900 6.500 5.168 4.994 5.299 . 0 0 "[ . 1 . 2]" 1
187 1 14 TRP QB 1 14 TRP HD1 2.800 . 3.640 2.638 2.570 2.693 . 0 0 "[ . 1 . 2]" 1
188 1 14 TRP QB 1 14 TRP HE3 3.000 2.100 3.900 2.524 2.481 2.574 . 0 0 "[ . 1 . 2]" 1
189 1 14 TRP QB 1 15 THR H 3.100 2.320 3.880 2.408 2.286 2.691 0.034 19 0 "[ . 1 . 2]" 1
190 1 14 TRP HD1 1 15 THR HA 4.100 3.070 5.130 2.811 2.610 3.240 0.460 10 0 "[ . 1 . 2]" 1
191 1 14 TRP HD1 1 15 THR HB 6.300 4.410 8.190 5.147 4.773 5.664 . 0 0 "[ . 1 . 2]" 1
192 1 14 TRP HD1 1 15 THR MG 3.700 2.590 4.810 4.368 4.084 4.672 . 0 0 "[ . 1 . 2]" 1
193 1 14 TRP HD1 1 17 MET ME 5.400 3.780 7.020 4.751 4.328 5.192 . 0 0 "[ . 1 . 2]" 1
194 1 14 TRP HD1 1 18 ILE MD 4.800 3.360 6.240 2.562 2.395 2.869 0.965 18 19 "[** ***********-**+**]" 1
195 1 14 TRP HE3 1 15 THR HA 4.500 3.370 5.630 7.242 7.010 7.411 1.781 18 20 [*******-*********+**] 1
196 1 14 TRP HE3 1 15 THR MG 4.900 3.430 6.370 8.233 8.073 8.404 2.034 18 20 [*******-*********+**] 1
197 1 14 TRP HE3 1 17 MET QB 5.400 3.780 7.020 4.764 4.383 5.232 . 0 0 "[ . 1 . 2]" 1
198 1 14 TRP HE3 1 17 MET ME 3.400 2.380 4.420 3.643 3.023 4.230 . 0 0 "[ . 1 . 2]" 1
199 1 14 TRP HE3 1 17 MET QG 6.300 4.410 8.190 6.162 5.681 6.602 . 0 0 "[ . 1 . 2]" 1
200 1 14 TRP HE3 1 18 ILE MD 4.200 2.940 5.460 6.097 5.619 6.265 0.805 1 18 "[+****** *1-*********]" 1
201 1 14 TRP HE3 1 18 ILE QG 5.700 3.990 7.410 6.017 5.527 6.239 . 0 0 "[ . 1 . 2]" 1
202 1 14 TRP HH2 1 15 THR MG 5.500 3.850 7.150 9.848 9.489 10.104 2.954 18 20 [*********-*******+**] 1
203 1 14 TRP HH2 1 17 MET ME 4.800 3.360 6.240 3.327 2.695 4.043 0.665 11 3 "[ . 1+ * -]" 1
204 1 14 TRP HH2 1 18 ILE MD 5.000 3.500 6.500 5.952 5.083 6.194 . 0 0 "[ . 1 . 2]" 1
205 1 14 TRP HH2 1 18 ILE MG 5.400 3.780 7.020 7.800 6.921 8.182 1.162 1 17 "[+*-**** *1 *********]" 1
206 1 14 TRP HZ2 1 15 THR MG 5.100 3.570 6.630 8.301 7.877 8.596 1.966 20 20 [*********-*********+] 1
207 1 14 TRP HZ2 1 17 MET ME 5.300 3.710 6.890 3.510 3.170 4.046 0.540 2 3 "[ + . 1- * 2]" 1
208 1 14 TRP HZ2 1 18 ILE MD 4.200 2.940 5.460 3.962 3.060 4.212 . 0 0 "[ . 1 . 2]" 1
209 1 14 TRP HZ2 1 18 ILE MG 5.100 3.570 6.630 6.040 5.328 6.349 . 0 0 "[ . 1 . 2]" 1
210 1 14 TRP HZ3 1 15 THR MG 5.300 3.710 6.890 9.815 9.591 10.030 3.140 18 20 [*******-*********+**] 1
211 1 14 TRP HZ3 1 17 MET ME 3.600 2.520 4.680 3.431 2.728 3.995 . 0 0 "[ . 1 . 2]" 1
212 1 14 TRP HZ3 1 18 ILE MD 4.700 3.290 6.110 6.792 6.082 7.010 0.900 1 17 "[+* **** *1****-*****]" 1
213 1 14 TRP HZ3 1 18 ILE MG 4.800 3.360 6.240 8.806 8.043 9.171 2.931 1 20 [+********-**********] 1
214 1 15 THR H 1 15 THR HA 3.100 2.480 3.720 2.795 2.764 2.850 . 0 0 "[ . 1 . 2]" 1
215 1 15 THR H 1 15 THR HB 2.900 2.170 3.630 2.700 2.521 2.829 . 0 0 "[ . 1 . 2]" 1
216 1 15 THR H 1 15 THR MG 3.600 2.700 4.500 3.723 3.671 3.750 . 0 0 "[ . 1 . 2]" 1
217 1 15 THR HA 1 15 THR MG 2.300 . 2.880 2.278 2.236 2.326 . 0 0 "[ . 1 . 2]" 1
218 1 15 THR HA 1 16 GLY H 3.400 2.720 4.080 3.523 3.508 3.538 . 0 0 "[ . 1 . 2]" 1
219 1 15 THR HA 1 17 MET H 4.000 3.200 4.800 4.319 4.230 4.380 . 0 0 "[ . 1 . 2]" 1
220 1 15 THR HA 1 18 ILE HB 3.600 2.700 4.500 3.461 3.305 3.604 . 0 0 "[ . 1 . 2]" 1
221 1 15 THR HA 1 18 ILE MD 3.300 2.470 4.130 2.756 2.363 3.157 0.107 8 0 "[ . 1 . 2]" 1
222 1 15 THR HB 1 15 THR MG 2.300 . 2.990 2.144 2.131 2.151 . 0 0 "[ . 1 . 2]" 1
223 1 15 THR HB 1 16 GLY H 3.400 2.550 4.250 2.627 2.554 2.700 . 0 0 "[ . 1 . 2]" 1
224 1 15 THR HB 1 18 ILE MD 5.400 3.780 7.020 5.408 5.085 5.726 . 0 0 "[ . 1 . 2]" 1
225 1 15 THR MG 1 16 GLY H 5.400 4.050 6.750 3.690 3.455 3.830 0.595 14 2 "[ . - 1 +. 2]" 1
226 1 15 THR MG 1 16 GLY HA2 4.800 3.600 6.000 3.808 3.486 4.042 0.114 14 0 "[ . 1 . 2]" 1
227 1 16 GLY H 1 16 GLY HA2 3.100 2.480 3.720 2.838 2.828 2.862 . 0 0 "[ . 1 . 2]" 1
228 1 16 GLY H 1 16 GLY HA3 2.900 2.320 3.480 2.292 2.287 2.297 0.033 1 0 "[ . 1 . 2]" 1
229 1 16 GLY QA 1 19 ASP QB 3.700 2.770 4.630 2.649 2.499 2.750 0.271 6 0 "[ . 1 . 2]" 1
230 1 16 GLY HA2 1 17 MET H 3.500 2.800 4.200 3.532 3.523 3.543 . 0 0 "[ . 1 . 2]" 1
231 1 16 GLY HA3 1 17 MET H 3.300 2.640 3.960 2.870 2.835 2.897 . 0 0 "[ . 1 . 2]" 1
232 1 17 MET H 1 17 MET HA 2.700 2.160 3.240 2.804 2.784 2.818 . 0 0 "[ . 1 . 2]" 1
233 1 17 MET H 1 17 MET QB 2.100 . 2.630 2.250 2.196 2.270 . 0 0 "[ . 1 . 2]" 1
234 1 17 MET H 1 17 MET QG 2.800 . 4.200 3.948 3.891 3.972 . 0 0 "[ . 1 . 2]" 1
235 1 17 MET HA 1 17 MET QB 2.600 . 3.250 2.391 2.338 2.459 . 0 0 "[ . 1 . 2]" 1
236 1 17 MET HA 1 17 MET ME 4.200 3.150 5.250 4.432 4.265 4.603 . 0 0 "[ . 1 . 2]" 1
237 1 17 MET HA 1 17 MET QG 2.900 2.170 3.630 2.313 2.238 2.364 . 0 0 "[ . 1 . 2]" 1
238 1 17 MET HA 1 18 ILE H 3.400 2.720 4.080 3.552 3.540 3.566 . 0 0 "[ . 1 . 2]" 1
239 1 17 MET HA 1 20 GLY H 4.400 3.520 5.280 3.658 3.501 3.829 0.019 18 0 "[ . 1 . 2]" 1
240 1 17 MET QB 1 17 MET ME 2.900 2.030 3.770 2.223 2.051 2.477 . 0 0 "[ . 1 . 2]" 1
241 1 17 MET QB 1 17 MET QG 2.600 . 3.380 2.102 2.093 2.110 . 0 0 "[ . 1 . 2]" 1
242 1 17 MET QB 1 18 ILE H 2.700 2.020 3.380 2.409 2.331 2.460 . 0 0 "[ . 1 . 2]" 1
243 1 17 MET QB 1 18 ILE HA 6.100 3.570 8.630 4.044 3.905 4.162 . 0 0 "[ . 1 . 2]" 1
244 1 17 MET QB 1 18 ILE MG 4.200 2.940 5.460 5.110 4.989 5.183 . 0 0 "[ . 1 . 2]" 1
245 1 17 MET ME 1 17 MET QG 3.100 2.170 4.030 2.219 2.175 2.284 . 0 0 "[ . 1 . 2]" 1
246 1 17 MET ME 1 18 ILE HA 4.800 3.600 6.000 4.078 3.628 4.639 . 0 0 "[ . 1 . 2]" 1
247 1 17 MET ME 1 21 TRP HE3 5.200 3.640 6.760 6.389 5.965 6.754 . 0 0 "[ . 1 . 2]" 1
248 1 17 MET ME 1 21 TRP HH2 5.500 3.850 7.150 8.674 8.131 9.251 2.101 18 20 [****************-+**] 1
249 1 17 MET ME 1 21 TRP HZ3 5.300 3.710 6.890 7.727 7.262 8.274 1.384 18 17 "[******** ****** +-*]" 1
250 1 18 ILE H 1 18 ILE HA 2.600 2.080 3.120 2.817 2.810 2.824 . 0 0 "[ . 1 . 2]" 1
251 1 18 ILE H 1 18 ILE HB 2.300 . 2.880 2.540 2.438 2.607 . 0 0 "[ . 1 . 2]" 1
252 1 18 ILE H 1 18 ILE MD 4.600 3.450 5.750 3.425 3.346 3.502 0.104 14 0 "[ . 1 . 2]" 1
253 1 18 ILE H 1 18 ILE QG 2.300 . 2.880 1.982 1.866 2.185 . 0 0 "[ . 1 . 2]" 1
254 1 18 ILE H 1 18 ILE MG 3.700 2.770 4.630 3.751 3.742 3.789 . 0 0 "[ . 1 . 2]" 1
255 1 18 ILE HA 1 18 ILE HB 3.200 2.400 4.000 3.027 3.022 3.033 . 0 0 "[ . 1 . 2]" 1
256 1 18 ILE HA 1 18 ILE MD 2.900 2.170 3.630 3.834 3.795 3.864 0.234 20 0 "[ . 1 . 2]" 1
257 1 18 ILE HA 1 18 ILE QG 3.100 2.320 3.880 2.423 2.358 2.468 . 0 0 "[ . 1 . 2]" 1
258 1 18 ILE HA 1 18 ILE MG 2.500 . 3.130 2.334 2.292 2.400 . 0 0 "[ . 1 . 2]" 1
259 1 18 ILE HA 1 21 TRP HD1 5.500 4.120 6.880 4.593 4.368 4.759 . 0 0 "[ . 1 . 2]" 1
260 1 18 ILE HA 1 22 TYR H 4.400 3.520 5.280 4.179 3.922 4.325 . 0 0 "[ . 1 . 2]" 1
261 1 18 ILE HA 1 22 TYR QB 4.100 3.070 5.130 5.022 4.506 5.396 0.266 11 0 "[ . 1 . 2]" 1
262 1 18 ILE HB 1 18 ILE MD 2.900 2.030 3.770 2.311 2.207 2.429 . 0 0 "[ . 1 . 2]" 1
263 1 18 ILE HB 1 18 ILE QG 2.900 2.030 3.770 2.410 2.388 2.427 . 0 0 "[ . 1 . 2]" 1
264 1 18 ILE HB 1 18 ILE MG 2.300 . 2.990 2.155 2.146 2.165 . 0 0 "[ . 1 . 2]" 1
265 1 18 ILE HB 1 19 ASP H 2.700 2.020 3.380 2.387 2.310 2.520 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE MD 1 19 ASP HA 5.900 4.420 7.380 5.712 5.669 5.786 . 0 0 "[ . 1 . 2]" 1
267 1 18 ILE MD 1 21 TRP HE3 4.900 3.430 6.370 9.052 8.798 9.363 2.993 18 20 [***********-*****+**] 1
268 1 18 ILE MD 1 21 TRP HZ3 5.400 3.780 7.020 10.842 10.538 11.172 4.152 18 20 [***********-*****+**] 1
269 1 18 ILE MD 1 22 TYR QD 4.500 3.150 5.850 5.389 4.889 5.765 . 0 0 "[ . 1 . 2]" 1
270 1 18 ILE MD 1 22 TYR QE 4.400 3.080 5.720 5.120 4.642 5.535 . 0 0 "[ . 1 . 2]" 1
271 1 18 ILE QG 1 18 ILE MG 2.400 . 3.120 2.274 2.231 2.308 . 0 0 "[ . 1 . 2]" 1
272 1 18 ILE MG 1 19 ASP H 3.800 2.850 4.750 3.323 3.196 3.439 . 0 0 "[ . 1 . 2]" 1
273 1 18 ILE MG 1 19 ASP HA 3.500 2.620 4.380 3.425 3.276 3.549 . 0 0 "[ . 1 . 2]" 1
274 1 18 ILE MG 1 21 TRP HE3 4.500 3.150 5.850 7.353 7.144 7.636 1.786 18 20 [***********-*****+**] 1
275 1 18 ILE MG 1 22 TYR QB 3.800 2.660 4.940 3.656 3.144 4.059 . 0 0 "[ . 1 . 2]" 1
276 1 18 ILE MG 1 22 TYR QD 3.000 2.100 3.900 2.620 2.096 3.084 0.004 15 0 "[ . 1 . 2]" 1
277 1 18 ILE MG 1 22 TYR QE 3.300 2.310 4.290 2.790 2.319 3.271 . 0 0 "[ . 1 . 2]" 1
278 1 19 ASP H 1 19 ASP HA 2.900 2.320 3.480 2.798 2.776 2.823 . 0 0 "[ . 1 . 2]" 1
279 1 19 ASP H 1 19 ASP QB 1.900 . 2.380 2.234 2.200 2.251 . 0 0 "[ . 1 . 2]" 1
280 1 19 ASP HA 1 19 ASP QB 2.500 . 3.130 2.387 2.337 2.437 . 0 0 "[ . 1 . 2]" 1
281 1 19 ASP HA 1 20 GLY H 3.500 2.800 4.200 3.547 3.468 3.567 . 0 0 "[ . 1 . 2]" 1
282 1 19 ASP HA 1 22 TYR H 4.300 3.440 5.160 3.560 3.452 3.710 . 0 0 "[ . 1 . 2]" 1
283 1 19 ASP HA 1 22 TYR QB 2.500 . 3.130 2.855 2.601 3.079 . 0 0 "[ . 1 . 2]" 1
284 1 19 ASP HA 1 22 TYR QE 5.400 4.050 6.750 6.063 5.393 6.401 . 0 0 "[ . 1 . 2]" 1
285 1 19 ASP QB 1 20 GLY H 2.900 2.170 3.630 2.508 2.381 2.976 . 0 0 "[ . 1 . 2]" 1
286 1 20 GLY H 1 20 GLY QA 2.000 . 2.400 2.205 2.197 2.246 . 0 0 "[ . 1 . 2]" 1
287 1 20 GLY QA 1 21 TRP H 2.500 . 3.000 2.728 2.712 2.747 . 0 0 "[ . 1 . 2]" 1
288 1 21 TRP H 1 21 TRP HA 2.400 . 2.880 2.832 2.804 2.891 0.011 18 0 "[ . 1 . 2]" 1
289 1 21 TRP H 1 21 TRP QB 2.000 . 2.500 2.263 2.255 2.278 . 0 0 "[ . 1 . 2]" 1
290 1 21 TRP HA 1 21 TRP QB 2.800 2.100 3.500 2.357 2.343 2.370 . 0 0 "[ . 1 . 2]" 1
291 1 21 TRP HA 1 21 TRP HD1 3.500 2.620 4.380 4.419 4.300 4.512 0.132 11 0 "[ . 1 . 2]" 1
292 1 21 TRP HA 1 21 TRP HE3 3.100 2.320 3.880 2.555 2.373 2.926 . 0 0 "[ . 1 . 2]" 1
293 1 21 TRP HA 1 22 TYR H 3.500 2.800 4.200 3.548 3.511 3.567 . 0 0 "[ . 1 . 2]" 1
294 1 21 TRP QB 1 21 TRP HD1 3.800 2.660 4.940 2.509 2.494 2.565 0.166 11 0 "[ . 1 . 2]" 1
295 1 21 TRP QB 1 21 TRP HE3 3.500 2.450 4.550 2.797 2.650 2.878 . 0 0 "[ . 1 . 2]" 1
296 1 21 TRP QB 1 22 TYR QE 6.100 4.270 7.930 4.149 3.769 4.620 0.501 12 1 "[ . 1 + . 2]" 1
297 1 21 TRP HD1 1 22 TYR HA 5.500 4.120 6.880 3.756 3.461 3.876 0.659 18 1 "[ . 1 . + 2]" 1
298 1 21 TRP HD1 1 22 TYR QD 4.900 3.430 6.370 2.951 2.502 3.881 0.928 19 12 "[ **. **** **-. *+*]" 1
299 1 21 TRP HD1 1 22 TYR QE 4.800 3.360 6.240 3.090 2.523 3.936 0.837 4 5 "[ +. * - * . *2]" 1
300 1 21 TRP HE3 1 22 TYR HA 5.800 4.350 7.250 6.672 6.479 6.912 . 0 0 "[ . 1 . 2]" 1
301 1 21 TRP HE3 1 22 TYR QE 5.300 3.710 6.890 7.670 7.203 8.258 1.368 2 17 "[-+* ******* ****** *]" 1
302 1 22 TYR H 1 22 TYR HA 2.700 2.160 3.240 2.879 2.827 2.920 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR HA 1 22 TYR QD 2.800 2.100 3.500 2.848 2.479 3.029 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR HA 1 22 TYR QE 5.800 4.350 7.250 4.403 4.288 4.509 0.062 15 0 "[ . 1 . 2]" 1
305 1 22 TYR HA 1 23 GLY H 4.000 3.200 4.800 3.469 3.279 3.545 . 0 0 "[ . 1 . 2]" 1
306 1 22 TYR QB 1 22 TYR QD 2.500 . 3.250 2.164 2.151 2.202 . 0 0 "[ . 1 . 2]" 1
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