NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636450 |
6d37   |
30453 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6d37
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 202
_Distance_constraint_stats_list.Viol_count 1363
_Distance_constraint_stats_list.Viol_total 11763.759
_Distance_constraint_stats_list.Viol_max 1.467
_Distance_constraint_stats_list.Viol_rms 0.2039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0569
_Distance_constraint_stats_list.Viol_average_violations_only 0.2697
_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 ALA 25.378 0.458 3 0 "[ . 1 . 2 . 3 ]"
1 3 TYR 84.532 1.019 7 32 [*****-+*************************]
1 4 ALA 40.303 0.563 11 28 "[***** *-**+* ********* ******3**]"
1 5 GLN 24.537 0.634 28 26 "[***** *-**** ** ***** ****+*3**]"
1 6 TRP 86.839 1.444 1 32 [+-******************************]
1 7 LEU 218.142 1.467 15 32 [********-*****+*****************]
1 8 ALA 25.361 0.539 3 16 "[ *+ . * ** ***. * 2****.* -3* ]"
1 9 ASP 16.158 0.539 3 16 "[ *+ . * ** ***. * 2****.* -3* ]"
1 10 DAL 4.345 0.312 31 0 "[ . 1 . 2 . 3 ]"
1 11 GLY 1.692 0.039 2 0 "[ . 1 . 2 . 3 ]"
1 12 PRO 2.000 0.036 12 0 "[ . 1 . 2 . 3 ]"
1 13 ALA 34.651 0.580 26 32 [**********************-**+******]
1 14 SER 19.565 0.580 26 32 [**********************-**+******]
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 ]"
1 18 PRO 2.923 0.054 13 0 "[ . 1 . 2 . 3 ]"
1 19 PRO 24.133 0.405 1 0 "[ . 1 . 2 . 3 ]"
1 20 SER 0.141 0.028 13 0 "[ . 1 . 2 . 3 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA H 1 2 ALA HA 2.510 2.340 2.970 2.788 2.269 2.933 0.071 3 0 "[ . 1 . 2 . 3 ]" 1
2 1 2 ALA H 1 2 ALA MB 3.090 2.400 4.060 2.439 2.076 2.955 0.324 20 0 "[ . 1 . 2 . 3 ]" 1
3 1 2 ALA H 1 3 TYR H 2.920 2.510 3.800 2.764 2.480 3.828 0.030 18 0 "[ . 1 . 2 . 3 ]" 1
4 1 2 ALA HA 1 3 TYR H . 3.930 4.330 3.577 3.562 3.587 0.368 13 0 "[ . 1 . 2 . 3 ]" 1
5 1 2 ALA HA 1 4 ALA H 4.150 3.350 4.950 4.620 4.477 4.806 . 0 0 "[ . 1 . 2 . 3 ]" 1
6 1 2 ALA HA 1 5 GLN H 3.550 3.060 4.080 3.784 3.599 3.996 . 0 0 "[ . 1 . 2 . 3 ]" 1
7 1 2 ALA HA 1 5 GLN QB 3.290 2.890 4.310 3.046 2.809 3.244 0.081 13 0 "[ . 1 . 2 . 3 ]" 1
8 1 2 ALA HA 1 5 GLN QG 4.450 3.560 5.450 4.659 4.338 4.867 . 0 0 "[ . 1 . 2 . 3 ]" 1
9 1 2 ALA MB 1 3 TYR H 3.080 2.620 3.440 2.322 2.162 2.566 0.458 3 0 "[ . 1 . 2 . 3 ]" 1
10 1 3 TYR H 1 3 TYR HA 3.290 2.760 3.720 2.826 2.804 2.842 . 0 0 "[ . 1 . 2 . 3 ]" 1
11 1 3 TYR H 1 3 TYR QB 2.540 2.250 2.790 2.251 2.237 2.263 0.013 10 0 "[ . 1 . 2 . 3 ]" 1
12 1 3 TYR H 1 4 ALA H 2.830 2.380 3.130 2.656 2.601 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
13 1 3 TYR H 1 19 PRO QG 4.390 3.520 5.350 3.188 3.115 3.542 0.405 1 0 "[ . 1 . 2 . 3 ]" 1
14 1 3 TYR HA 1 3 TYR QD 3.230 2.750 4.030 2.982 2.920 3.029 . 0 0 "[ . 1 . 2 . 3 ]" 1
15 1 3 TYR HA 1 4 ALA H 3.890 3.170 4.550 3.544 3.539 3.549 . 0 0 "[ . 1 . 2 . 3 ]" 1
16 1 3 TYR HA 1 6 TRP H 3.520 2.920 4.030 3.367 3.323 3.418 . 0 0 "[ . 1 . 2 . 3 ]" 1
17 1 3 TYR HA 1 6 TRP HB2 2.920 2.510 3.240 3.244 3.199 3.265 0.025 28 0 "[ . 1 . 2 . 3 ]" 1
18 1 3 TYR HA 1 6 TRP HB3 2.640 2.240 3.240 2.683 2.606 2.809 . 0 0 "[ . 1 . 2 . 3 ]" 1
19 1 3 TYR HA 1 6 TRP HE3 4.280 3.440 5.360 3.884 3.723 4.113 . 0 0 "[ . 1 . 2 . 3 ]" 1
20 1 3 TYR HA 1 7 LEU H 4.020 3.260 4.750 4.549 4.484 4.627 . 0 0 "[ . 1 . 2 . 3 ]" 1
21 1 3 TYR HA 1 19 PRO HD2 3.000 2.500 3.500 2.512 2.454 2.607 0.046 30 0 "[ . 1 . 2 . 3 ]" 1
22 1 3 TYR HA 1 19 PRO QG 2.800 2.270 3.230 2.133 2.017 2.346 0.253 32 0 "[ . 1 . 2 . 3 ]" 1
23 1 3 TYR QB 1 3 TYR QD 2.330 2.130 2.950 2.137 2.135 2.138 . 0 0 "[ . 1 . 2 . 3 ]" 1
24 1 3 TYR QB 1 4 ALA H 2.680 2.350 2.950 2.591 2.553 2.630 . 0 0 "[ . 1 . 2 . 3 ]" 1
25 1 3 TYR HD1 1 6 TRP HB3 3.960 3.240 5.020 4.785 4.638 4.938 . 0 0 "[ . 1 . 2 . 3 ]" 1
26 1 3 TYR HD1 1 18 PRO HB2 3.920 3.200 4.590 3.414 3.308 3.506 . 0 0 "[ . 1 . 2 . 3 ]" 1
27 1 3 TYR HD1 1 18 PRO HB3 4.690 3.720 5.880 4.222 4.083 4.339 . 0 0 "[ . 1 . 2 . 3 ]" 1
28 1 3 TYR HD1 1 18 PRO QG 4.600 3.680 5.770 5.087 4.984 5.151 . 0 0 "[ . 1 . 2 . 3 ]" 1
29 1 3 TYR HD1 1 19 PRO HD2 3.140 2.430 3.800 3.191 2.884 3.323 . 0 0 "[ . 1 . 2 . 3 ]" 1
30 1 3 TYR HD1 1 19 PRO HD3 4.450 3.940 4.970 4.910 4.643 4.995 0.025 1 0 "[ . 1 . 2 . 3 ]" 1
31 1 3 TYR HD1 1 19 PRO QG 4.040 3.300 5.140 3.514 3.169 4.156 0.131 27 0 "[ . 1 . 2 . 3 ]" 1
32 1 3 TYR HD2 1 4 ALA HA 3.170 2.680 3.760 3.278 3.219 3.360 . 0 0 "[ . 1 . 2 . 3 ]" 1
33 1 3 TYR HD2 1 4 ALA MB 4.300 3.900 4.900 4.112 4.098 4.121 . 0 0 "[ . 1 . 2 . 3 ]" 1
34 1 3 TYR HD2 1 7 LEU QD 3.800 3.300 4.400 2.850 2.725 3.006 0.575 22 9 "[* .- ** .** 2*+ *. 3 ]" 1
35 1 3 TYR HD2 1 7 LEU HG 4.340 3.480 5.460 3.582 3.518 3.700 . 0 0 "[ . 1 . 2 . 3 ]" 1
36 1 3 TYR QE 1 6 TRP HZ3 3.300 2.790 3.500 3.272 3.167 3.364 . 0 0 "[ . 1 . 2 . 3 ]" 1
37 1 3 TYR QE 1 7 LEU QD 3.570 3.410 4.510 2.407 2.391 2.427 1.019 7 32 [******+******************-******] 1
38 1 3 TYR QE 1 7 LEU HG 3.670 3.050 4.610 3.355 3.228 3.548 . 0 0 "[ . 1 . 2 . 3 ]" 1
39 1 3 TYR QE 1 18 PRO HB2 3.310 2.770 3.790 2.750 2.725 2.789 0.045 16 0 "[ . 1 . 2 . 3 ]" 1
40 1 3 TYR QE 1 18 PRO HB3 3.990 3.170 5.220 3.274 3.150 3.393 0.020 12 0 "[ . 1 . 2 . 3 ]" 1
41 1 3 TYR QE 1 19 PRO HD2 4.600 3.680 6.030 4.343 4.083 4.476 . 0 0 "[ . 1 . 2 . 3 ]" 1
42 1 4 ALA H 1 4 ALA HA 2.980 2.550 3.320 2.808 2.797 2.814 . 0 0 "[ . 1 . 2 . 3 ]" 1
43 1 4 ALA H 1 4 ALA MB 2.800 2.530 3.050 2.233 2.214 2.239 0.316 32 0 "[ . 1 . 2 . 3 ]" 1
44 1 4 ALA H 1 5 GLN H 2.810 2.440 3.110 2.705 2.681 2.739 . 0 0 "[ . 1 . 2 . 3 ]" 1
45 1 4 ALA HA 1 5 GLN H 3.400 2.840 3.860 3.547 3.541 3.552 . 0 0 "[ . 1 . 2 . 3 ]" 1
46 1 4 ALA HA 1 7 LEU H 3.480 2.890 3.970 3.588 3.523 3.672 . 0 0 "[ . 1 . 2 . 3 ]" 1
47 1 4 ALA HA 1 7 LEU HB2 3.580 2.900 4.190 3.231 3.127 3.331 . 0 0 "[ . 1 . 2 . 3 ]" 1
48 1 4 ALA HA 1 7 LEU QD 3.850 3.250 4.330 2.798 2.687 2.983 0.563 11 10 "[* * -*+ .** 2** *. 3 ]" 1
49 1 4 ALA MB 1 5 GLN H 3.600 3.080 4.010 2.570 2.557 2.592 0.523 1 26 "[+**** *-**** ** ***** ******3**]" 1
50 1 4 ALA MB 1 7 LEU H 4.850 3.930 5.740 4.685 4.653 4.748 . 0 0 "[ . 1 . 2 . 3 ]" 1
51 1 5 GLN H 1 5 GLN HA 2.940 2.530 3.270 2.830 2.825 2.839 . 0 0 "[ . 1 . 2 . 3 ]" 1
52 1 5 GLN H 1 5 GLN QB 2.630 2.210 3.040 2.141 2.056 2.261 0.154 30 0 "[ . 1 . 2 . 3 ]" 1
53 1 5 GLN H 1 5 GLN QG 4.370 3.500 5.310 3.781 3.106 4.063 0.394 24 0 "[ . 1 . 2 . 3 ]" 1
54 1 5 GLN H 1 6 TRP H 2.620 2.210 3.150 2.603 2.572 2.619 . 0 0 "[ . 1 . 2 . 3 ]" 1
55 1 5 GLN H 1 8 ALA MB 4.650 3.860 5.350 4.753 4.689 4.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
56 1 5 GLN HA 1 6 TRP H 3.350 2.910 3.790 3.527 3.518 3.536 . 0 0 "[ . 1 . 2 . 3 ]" 1
57 1 5 GLN HA 1 8 ALA H 3.130 2.650 3.510 3.267 3.240 3.314 . 0 0 "[ . 1 . 2 . 3 ]" 1
58 1 5 GLN QB 1 5 GLN QE 3.930 3.200 4.610 3.194 2.566 3.684 0.634 28 3 "[ * 1 . 2 - + 3 ]" 1
59 1 5 GLN QB 1 6 TRP H 2.850 2.460 3.160 2.701 2.594 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
60 1 5 GLN HB3 1 6 TRP H 2.800 2.370 3.220 2.877 2.636 3.226 0.006 24 0 "[ . 1 . 2 . 3 ]" 1
61 1 6 TRP H 1 6 TRP HA 2.930 2.520 3.260 2.784 2.769 2.798 . 0 0 "[ . 1 . 2 . 3 ]" 1
62 1 6 TRP H 1 6 TRP HB2 2.600 2.290 2.860 2.637 2.613 2.665 . 0 0 "[ . 1 . 2 . 3 ]" 1
63 1 6 TRP H 1 6 TRP HB3 2.650 2.280 3.030 2.408 2.383 2.436 . 0 0 "[ . 1 . 2 . 3 ]" 1
64 1 6 TRP H 1 7 LEU H 2.670 2.340 2.940 2.776 2.740 2.821 . 0 0 "[ . 1 . 2 . 3 ]" 1
65 1 6 TRP H 1 7 LEU HB2 4.450 3.560 5.450 4.852 4.795 4.916 . 0 0 "[ . 1 . 2 . 3 ]" 1
66 1 6 TRP H 1 19 PRO HD2 5.500 4.500 6.500 4.492 4.455 4.616 0.045 10 0 "[ . 1 . 2 . 3 ]" 1
67 1 6 TRP HA 1 6 TRP HB2 2.540 2.160 2.850 2.394 2.386 2.404 . 0 0 "[ . 1 . 2 . 3 ]" 1
68 1 6 TRP HA 1 6 TRP HD1 2.940 2.530 3.470 2.904 2.883 2.931 . 0 0 "[ . 1 . 2 . 3 ]" 1
69 1 6 TRP HA 1 7 LEU H 3.500 3.100 4.100 3.551 3.546 3.557 . 0 0 "[ . 1 . 2 . 3 ]" 1
70 1 6 TRP HA 1 9 ASP H 3.750 3.020 4.410 3.618 3.577 3.669 . 0 0 "[ . 1 . 2 . 3 ]" 1
71 1 6 TRP HA 1 9 ASP HB2 3.600 3.150 4.110 3.572 3.348 3.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
72 1 6 TRP HB2 1 6 TRP HD1 2.550 2.260 3.000 2.838 2.824 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
73 1 6 TRP HB2 1 6 TRP HE3 4.100 3.320 5.070 3.954 3.937 3.966 . 0 0 "[ . 1 . 2 . 3 ]" 1
74 1 6 TRP HB2 1 7 LEU H 3.810 3.120 4.430 3.969 3.944 3.993 . 0 0 "[ . 1 . 2 . 3 ]" 1
75 1 6 TRP HB3 1 6 TRP HD1 3.280 2.660 4.010 3.885 3.880 3.890 . 0 0 "[ . 1 . 2 . 3 ]" 1
76 1 6 TRP HB3 1 6 TRP HE3 2.900 2.400 3.420 2.427 2.418 2.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
77 1 6 TRP HB3 1 7 LEU H 2.890 2.490 3.210 2.635 2.601 2.673 . 0 0 "[ . 1 . 2 . 3 ]" 1
78 1 6 TRP HD1 1 18 PRO HA 3.610 2.980 4.350 3.201 3.107 3.384 . 0 0 "[ . 1 . 2 . 3 ]" 1
79 1 6 TRP HD1 1 18 PRO HD3 4.080 3.370 4.890 4.923 4.910 4.944 0.054 13 0 "[ . 1 . 2 . 3 ]" 1
80 1 6 TRP HD1 1 19 PRO HD2 3.740 3.080 4.530 4.316 4.154 4.539 0.009 25 0 "[ . 1 . 2 . 3 ]" 1
81 1 6 TRP HE1 1 11 GLY HA2 3.860 3.150 4.510 3.274 3.137 3.379 0.013 16 0 "[ . 1 . 2 . 3 ]" 1
82 1 6 TRP HE1 1 12 PRO HD3 4.600 3.680 5.770 5.016 4.939 5.112 . 0 0 "[ . 1 . 2 . 3 ]" 1
83 1 6 TRP HE1 1 17 PRO HA 4.040 3.250 4.990 3.835 3.355 4.458 . 0 0 "[ . 1 . 2 . 3 ]" 1
84 1 6 TRP HE1 1 18 PRO HA 3.650 3.010 4.410 3.370 3.261 3.498 . 0 0 "[ . 1 . 2 . 3 ]" 1
85 1 6 TRP HE1 1 19 PRO HD3 5.250 4.250 6.250 4.742 4.514 4.943 . 0 0 "[ . 1 . 2 . 3 ]" 1
86 1 6 TRP HE3 1 7 LEU H 3.070 2.620 3.630 3.232 3.209 3.254 . 0 0 "[ . 1 . 2 . 3 ]" 1
87 1 6 TRP HE3 1 7 LEU HA 4.530 3.610 5.790 3.792 3.751 3.862 . 0 0 "[ . 1 . 2 . 3 ]" 1
88 1 6 TRP HE3 1 7 LEU HB2 4.060 3.290 5.010 4.506 4.468 4.561 . 0 0 "[ . 1 . 2 . 3 ]" 1
89 1 6 TRP HE3 1 7 LEU QD . 4.160 4.250 2.724 2.716 2.732 1.444 1 32 [+*-*****************************] 1
90 1 6 TRP HE3 1 7 LEU HG 2.720 2.220 3.200 2.286 2.235 2.332 . 0 0 "[ . 1 . 2 . 3 ]" 1
91 1 6 TRP HE3 1 11 GLY HA2 3.820 3.400 4.300 4.253 4.175 4.315 0.015 9 0 "[ . 1 . 2 . 3 ]" 1
92 1 6 TRP HE3 1 12 PRO HD3 5.250 4.250 6.250 5.170 5.114 5.293 . 0 0 "[ . 1 . 2 . 3 ]" 1
93 1 6 TRP HE3 1 18 PRO HB3 3.800 3.300 4.400 3.511 3.418 3.567 . 0 0 "[ . 1 . 2 . 3 ]" 1
94 1 6 TRP HE3 1 19 PRO HD2 3.910 3.400 4.550 3.867 3.759 4.012 . 0 0 "[ . 1 . 2 . 3 ]" 1
95 1 6 TRP HH2 1 7 LEU QD 4.690 3.720 5.880 3.616 3.563 3.666 0.157 28 0 "[ . 1 . 2 . 3 ]" 1
96 1 6 TRP HH2 1 11 GLY HA2 3.760 3.720 4.270 4.273 4.178 4.292 0.022 26 0 "[ . 1 . 2 . 3 ]" 1
97 1 6 TRP HH2 1 11 GLY HA3 4.340 3.480 5.460 4.095 4.006 4.162 . 0 0 "[ . 1 . 2 . 3 ]" 1
98 1 6 TRP HH2 1 12 PRO HA 3.950 3.220 4.840 4.837 4.731 4.861 0.021 24 0 "[ . 1 . 2 . 3 ]" 1
99 1 6 TRP HH2 1 12 PRO HB3 4.600 3.680 5.770 4.800 4.730 4.901 . 0 0 "[ . 1 . 2 . 3 ]" 1
100 1 6 TRP HH2 1 12 PRO HD2 4.190 3.380 5.210 4.257 4.164 4.381 . 0 0 "[ . 1 . 2 . 3 ]" 1
101 1 6 TRP HH2 1 12 PRO HD3 2.530 2.040 3.130 2.615 2.526 2.708 . 0 0 "[ . 1 . 2 . 3 ]" 1
102 1 6 TRP HH2 1 12 PRO HG3 2.880 2.300 3.570 2.588 2.518 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
103 1 6 TRP HH2 1 18 PRO HA 4.330 3.480 5.440 5.447 5.368 5.465 0.025 20 0 "[ . 1 . 2 . 3 ]" 1
104 1 6 TRP HH2 1 18 PRO HB3 4.320 3.460 4.400 3.599 3.498 3.732 . 0 0 "[ . 1 . 2 . 3 ]" 1
105 1 6 TRP HH2 1 18 PRO HD3 3.490 3.310 4.180 4.049 3.876 4.201 0.021 16 0 "[ . 1 . 2 . 3 ]" 1
106 1 6 TRP HH2 1 18 PRO HG3 3.800 3.150 4.740 3.539 3.404 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
107 1 6 TRP HZ2 1 11 GLY HA2 3.820 3.330 4.380 3.388 3.331 3.435 . 0 0 "[ . 1 . 2 . 3 ]" 1
108 1 6 TRP HZ2 1 11 GLY HA3 3.870 3.400 4.600 3.919 3.803 3.983 . 0 0 "[ . 1 . 2 . 3 ]" 1
109 1 6 TRP HZ2 1 12 PRO HA 2.620 2.150 3.200 3.147 3.010 3.209 0.009 30 0 "[ . 1 . 2 . 3 ]" 1
110 1 6 TRP HZ2 1 12 PRO HB3 4.000 3.250 4.910 4.122 4.047 4.197 . 0 0 "[ . 1 . 2 . 3 ]" 1
111 1 6 TRP HZ2 1 12 PRO HD3 3.030 2.590 3.580 3.033 2.966 3.153 . 0 0 "[ . 1 . 2 . 3 ]" 1
112 1 6 TRP HZ2 1 12 PRO HG3 3.380 2.830 4.030 2.848 2.810 2.985 0.020 7 0 "[ . 1 . 2 . 3 ]" 1
113 1 6 TRP HZ2 1 17 PRO HA 4.230 3.510 5.180 4.548 4.186 5.047 . 0 0 "[ . 1 . 2 . 3 ]" 1
114 1 6 TRP HZ2 1 18 PRO HA 4.080 3.300 5.040 4.432 4.385 4.487 . 0 0 "[ . 1 . 2 . 3 ]" 1
115 1 6 TRP HZ2 1 18 PRO HB3 3.700 3.090 4.530 3.490 3.370 3.659 . 0 0 "[ . 1 . 2 . 3 ]" 1
116 1 6 TRP HZ2 1 18 PRO HD3 2.750 2.170 3.160 2.344 2.237 2.512 . 0 0 "[ . 1 . 2 . 3 ]" 1
117 1 6 TRP HZ2 1 18 PRO HG3 4.210 3.360 5.310 3.404 3.328 3.551 0.032 16 0 "[ . 1 . 2 . 3 ]" 1
118 1 6 TRP HZ3 1 7 LEU QD . 3.300 3.680 2.255 2.166 2.295 1.134 24 32 [*-*********************+********] 1
119 1 6 TRP HZ3 1 7 LEU HG 4.000 3.480 4.910 3.454 3.442 3.474 0.038 23 0 "[ . 1 . 2 . 3 ]" 1
120 1 6 TRP HZ3 1 11 GLY HA2 4.030 3.270 4.960 4.637 4.572 4.682 . 0 0 "[ . 1 . 2 . 3 ]" 1
121 1 6 TRP HZ3 1 12 PRO HD2 5.250 4.250 6.250 5.547 5.486 5.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
122 1 6 TRP HZ3 1 12 PRO HD3 4.790 3.890 5.640 3.926 3.880 4.088 0.010 20 0 "[ . 1 . 2 . 3 ]" 1
123 1 7 LEU H 1 7 LEU HA 2.960 2.540 3.290 2.829 2.823 2.833 . 0 0 "[ . 1 . 2 . 3 ]" 1
124 1 7 LEU H 1 7 LEU HB2 2.710 2.370 2.990 2.377 2.356 2.401 0.014 15 0 "[ . 1 . 2 . 3 ]" 1
125 1 7 LEU H 1 7 LEU HB3 3.210 2.710 3.610 3.576 3.572 3.583 . 0 0 "[ . 1 . 2 . 3 ]" 1
126 1 7 LEU H 1 7 LEU QD . 4.080 4.670 3.204 3.184 3.227 0.896 16 32 [***************+******-*********] 1
127 1 7 LEU H 1 7 LEU HG 2.830 2.450 3.130 2.491 2.437 2.554 0.013 16 0 "[ . 1 . 2 . 3 ]" 1
128 1 7 LEU H 1 8 ALA H 2.670 2.340 2.940 2.620 2.604 2.636 . 0 0 "[ . 1 . 2 . 3 ]" 1
129 1 7 LEU HA 1 7 LEU HB2 3.440 2.870 3.920 3.014 3.011 3.017 . 0 0 "[ . 1 . 2 . 3 ]" 1
130 1 7 LEU HA 1 7 LEU HB3 2.500 2.200 2.800 2.540 2.526 2.556 . 0 0 "[ . 1 . 2 . 3 ]" 1
131 1 7 LEU HA 1 7 LEU QD 4.080 3.410 4.640 1.989 1.943 2.033 1.467 15 32 [**************+-****************] 1
132 1 7 LEU HA 1 8 ALA H 3.610 3.000 4.240 3.530 3.520 3.539 . 0 0 "[ . 1 . 2 . 3 ]" 1
133 1 7 LEU HA 1 11 GLY H 2.920 2.510 3.250 3.217 3.146 3.258 0.008 10 0 "[ . 1 . 2 . 3 ]" 1
134 1 7 LEU HA 1 11 GLY HA2 3.120 2.710 3.450 3.181 3.108 3.249 . 0 0 "[ . 1 . 2 . 3 ]" 1
135 1 7 LEU HA 1 11 GLY HA3 3.660 2.950 4.310 3.137 3.035 3.237 . 0 0 "[ . 1 . 2 . 3 ]" 1
136 1 7 LEU HB2 1 8 ALA H 3.140 2.660 3.520 2.742 2.675 2.825 . 0 0 "[ . 1 . 2 . 3 ]" 1
137 1 7 LEU HB3 1 8 ALA H 3.340 2.800 3.780 3.614 3.564 3.676 . 0 0 "[ . 1 . 2 . 3 ]" 1
138 1 7 LEU HG 1 8 ALA H 4.290 3.450 5.180 4.536 4.479 4.590 . 0 0 "[ . 1 . 2 . 3 ]" 1
139 1 8 ALA H 1 8 ALA HA 2.870 2.480 3.180 2.802 2.796 2.808 . 0 0 "[ . 1 . 2 . 3 ]" 1
140 1 8 ALA H 1 8 ALA MB 2.750 2.460 3.020 2.140 2.040 2.233 0.420 28 0 "[ . 1 . 2 . 3 ]" 1
141 1 8 ALA H 1 9 ASP H 3.060 2.610 3.420 2.716 2.691 2.746 . 0 0 "[ . 1 . 2 . 3 ]" 1
142 1 8 ALA HA 1 9 ASP H 3.740 3.100 4.430 3.532 3.526 3.538 . 0 0 "[ . 1 . 2 . 3 ]" 1
143 1 8 ALA MB 1 9 ASP H 3.790 3.210 4.250 2.737 2.671 2.825 0.539 3 16 "[ *+ . * ** ***. * 2****.* -3* ]" 1
144 1 9 ASP H 1 9 ASP HA 3.110 2.640 3.480 2.858 2.852 2.864 . 0 0 "[ . 1 . 2 . 3 ]" 1
145 1 9 ASP H 1 9 ASP HB2 2.860 2.470 3.170 2.695 2.520 2.800 . 0 0 "[ . 1 . 2 . 3 ]" 1
146 1 9 ASP H 1 9 ASP HB3 3.310 3.090 3.770 3.617 3.612 3.621 . 0 0 "[ . 1 . 2 . 3 ]" 1
147 1 9 ASP H 1 11 GLY H 3.860 2.990 4.810 3.692 3.632 3.728 . 0 0 "[ . 1 . 2 . 3 ]" 1
148 1 9 ASP HA 1 9 ASP HB2 2.730 2.290 3.080 3.019 3.007 3.030 . 0 0 "[ . 1 . 2 . 3 ]" 1
149 1 9 ASP HA 1 9 ASP HB3 2.850 2.370 3.230 2.382 2.344 2.463 0.026 4 0 "[ . 1 . 2 . 3 ]" 1
150 1 9 ASP HB2 1 11 GLY H 3.760 3.110 4.370 3.081 3.071 3.094 0.039 2 0 "[ . 1 . 2 . 3 ]" 1
151 1 9 ASP HB2 1 14 SER HB2 4.000 3.400 4.600 4.341 3.992 4.594 . 0 0 "[ . 1 . 2 . 3 ]" 1
152 1 9 ASP HB3 1 14 SER HB2 4.400 3.800 5.000 3.998 3.797 4.241 0.003 15 0 "[ . 1 . 2 . 3 ]" 1
153 1 10 DAL HA 1 11 GLY H 3.810 3.120 4.440 3.159 3.118 3.203 0.002 10 0 "[ . 1 . 2 . 3 ]" 1
154 1 10 DAL HA 1 13 ALA H 3.920 3.200 4.590 4.437 4.334 4.532 . 0 0 "[ . 1 . 2 . 3 ]" 1
155 1 10 DAL HA 1 13 ALA MB 3.930 3.300 4.440 3.201 2.988 3.376 0.312 31 0 "[ . 1 . 2 . 3 ]" 1
156 1 10 DAL HA 1 14 SER H 3.820 3.130 4.450 3.214 3.143 3.284 . 0 0 "[ . 1 . 2 . 3 ]" 1
157 1 10 DAL HA 1 14 SER HB3 3.100 2.700 4.000 2.693 2.649 2.910 0.051 5 0 "[ . 1 . 2 . 3 ]" 1
158 1 11 GLY H 1 11 GLY HA2 2.480 2.210 2.710 2.294 2.289 2.298 . 0 0 "[ . 1 . 2 . 3 ]" 1
159 1 11 GLY H 1 11 GLY HA3 3.110 2.640 3.480 2.834 2.822 2.844 . 0 0 "[ . 1 . 2 . 3 ]" 1
160 1 11 GLY H 1 12 PRO HD2 5.250 4.250 6.250 5.005 4.965 5.042 . 0 0 "[ . 1 . 2 . 3 ]" 1
161 1 11 GLY H 1 12 PRO HD3 4.690 3.720 5.880 4.737 4.728 4.749 . 0 0 "[ . 1 . 2 . 3 ]" 1
162 1 11 GLY H 1 14 SER HB3 4.250 3.420 5.110 3.880 3.612 4.139 . 0 0 "[ . 1 . 2 . 3 ]" 1
163 1 11 GLY HA2 1 12 PRO HD2 4.250 3.420 5.110 4.015 3.994 4.038 . 0 0 "[ . 1 . 2 . 3 ]" 1
164 1 11 GLY HA2 1 12 PRO HD3 2.800 2.300 3.300 3.041 2.998 3.087 . 0 0 "[ . 1 . 2 . 3 ]" 1
165 1 11 GLY HA3 1 12 PRO HD2 2.380 2.130 2.590 2.516 2.506 2.531 . 0 0 "[ . 1 . 2 . 3 ]" 1
166 1 11 GLY HA3 1 12 PRO HD3 2.500 . 2.720 1.988 1.979 1.997 0.021 10 0 "[ . 1 . 2 . 3 ]" 1
167 1 11 GLY HA3 1 13 ALA H 4.300 3.470 5.370 3.644 3.624 3.667 . 0 0 "[ . 1 . 2 . 3 ]" 1
168 1 11 GLY O 1 14 SER OG 2.850 2.650 3.050 2.736 2.671 2.788 . 0 0 "[ . 1 . 2 . 3 ]" 1
169 1 12 PRO HA 1 12 PRO HB3 2.300 2.090 2.510 2.280 2.277 2.281 . 0 0 "[ . 1 . 2 . 3 ]" 1
170 1 12 PRO HA 1 13 ALA H 3.650 3.010 4.210 3.514 3.510 3.518 . 0 0 "[ . 1 . 2 . 3 ]" 1
171 1 12 PRO HA 1 14 SER H 4.200 3.390 5.030 4.380 4.320 4.455 . 0 0 "[ . 1 . 2 . 3 ]" 1
172 1 12 PRO HB2 1 12 PRO HD2 3.600 2.970 4.340 2.964 2.960 2.969 0.010 24 0 "[ . 1 . 2 . 3 ]" 1
173 1 12 PRO HB2 1 13 ALA H 3.690 3.040 4.260 3.041 3.024 3.073 0.016 18 0 "[ . 1 . 2 . 3 ]" 1
174 1 12 PRO HB3 1 13 ALA H 4.340 3.480 5.460 4.243 4.235 4.263 . 0 0 "[ . 1 . 2 . 3 ]" 1
175 1 12 PRO HD2 1 13 ALA H 3.010 2.660 3.260 2.634 2.624 2.645 0.036 12 0 "[ . 1 . 2 . 3 ]" 1
176 1 12 PRO HD3 1 13 ALA H 4.170 3.370 4.840 3.873 3.859 3.883 . 0 0 "[ . 1 . 2 . 3 ]" 1
177 1 12 PRO HG2 1 13 ALA H 3.710 3.150 4.250 4.196 4.185 4.204 . 0 0 "[ . 1 . 2 . 3 ]" 1
178 1 13 ALA H 1 13 ALA HA 2.640 2.320 2.900 2.836 2.827 2.840 . 0 0 "[ . 1 . 2 . 3 ]" 1
179 1 13 ALA H 1 13 ALA MB 2.840 2.560 3.100 2.192 2.143 2.248 0.417 7 0 "[ . 1 . 2 . 3 ]" 1
180 1 13 ALA H 1 14 SER H 2.600 2.390 2.810 2.643 2.620 2.670 . 0 0 "[ . 1 . 2 . 3 ]" 1
181 1 13 ALA HA 1 14 SER H 3.960 3.220 4.660 3.546 3.540 3.554 . 0 0 "[ . 1 . 2 . 3 ]" 1
182 1 13 ALA HA 1 14 SER HB3 4.650 3.840 5.870 5.870 5.824 5.909 0.039 30 0 "[ . 1 . 2 . 3 ]" 1
183 1 13 ALA MB 1 14 SER H 3.870 3.260 4.360 2.690 2.680 2.699 0.580 26 32 [**********************-**+******] 1
184 1 14 SER H 1 14 SER HA 3.040 2.590 3.400 2.839 2.818 2.858 . 0 0 "[ . 1 . 2 . 3 ]" 1
185 1 14 SER H 1 14 SER HB2 3.420 2.690 4.100 3.607 3.601 3.613 . 0 0 "[ . 1 . 2 . 3 ]" 1
186 1 14 SER H 1 14 SER HB3 2.410 2.010 2.730 2.606 2.505 2.724 . 0 0 "[ . 1 . 2 . 3 ]" 1
187 1 17 PRO HB3 1 18 PRO HD2 3.160 2.480 3.930 3.512 3.340 3.581 . 0 0 "[ . 1 . 2 . 3 ]" 1
188 1 18 PRO HA 1 18 PRO HB2 3.000 2.570 3.340 2.774 2.751 2.792 . 0 0 "[ . 1 . 2 . 3 ]" 1
189 1 18 PRO HA 1 18 PRO HB3 2.300 2.090 2.510 2.277 2.271 2.285 . 0 0 "[ . 1 . 2 . 3 ]" 1
190 1 18 PRO HA 1 19 PRO HD2 2.580 2.200 2.880 2.330 2.184 2.581 0.016 27 0 "[ . 1 . 2 . 3 ]" 1
191 1 18 PRO HA 1 19 PRO HD3 2.310 . 2.550 2.179 1.954 2.331 0.006 30 0 "[ . 1 . 2 . 3 ]" 1
192 1 18 PRO HB2 1 19 PRO HD2 3.800 3.110 4.420 3.243 3.142 3.350 . 0 0 "[ . 1 . 2 . 3 ]" 1
193 1 18 PRO HB3 1 19 PRO HD2 4.050 3.340 4.990 3.328 3.299 3.431 0.041 10 0 "[ . 1 . 2 . 3 ]" 1
194 1 19 PRO HA 1 19 PRO HB3 2.520 2.150 2.820 2.304 2.296 2.316 . 0 0 "[ . 1 . 2 . 3 ]" 1
195 1 19 PRO HA 1 19 PRO QG 3.590 2.970 4.120 3.392 2.853 3.519 0.117 20 0 "[ . 1 . 2 . 3 ]" 1
196 1 19 PRO HA 1 20 SER H 2.400 2.160 2.620 2.200 2.152 2.417 0.008 14 0 "[ . 1 . 2 . 3 ]" 1
197 1 19 PRO HB2 1 20 SER H 3.610 2.980 4.350 3.772 3.072 4.270 . 0 0 "[ . 1 . 2 . 3 ]" 1
198 1 19 PRO HB3 1 20 SER H 4.280 3.440 5.160 4.080 3.720 4.573 . 0 0 "[ . 1 . 2 . 3 ]" 1
199 1 19 PRO HD2 1 19 PRO QG 2.540 2.250 2.790 2.189 2.176 2.235 0.074 19 0 "[ . 1 . 2 . 3 ]" 1
200 1 19 PRO HD3 1 19 PRO QG 2.780 2.350 3.120 2.212 2.181 2.230 0.169 20 0 "[ . 1 . 2 . 3 ]" 1
201 1 20 SER H 1 20 SER HA 3.500 2.910 4.000 2.923 2.882 2.949 0.028 13 0 "[ . 1 . 2 . 3 ]" 1
202 1 20 SER H 1 20 SER HB3 4.030 3.270 4.760 3.732 3.269 3.892 0.001 13 0 "[ . 1 . 2 . 3 ]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, April 30, 2024 12:02:33 PM GMT (wattos1)