NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578439 |
2mlu   |
19832 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mlu
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 384
_Distance_constraint_stats_list.Viol_count 482
_Distance_constraint_stats_list.Viol_total 545.227
_Distance_constraint_stats_list.Viol_max 0.322
_Distance_constraint_stats_list.Viol_rms 0.0268
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0035
_Distance_constraint_stats_list.Viol_average_violations_only 0.0566
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 11.017 0.322 18 0 "[ . 1 . 2]"
1 3 THR 0.373 0.040 18 0 "[ . 1 . 2]"
1 4 ILE 6.618 0.322 18 0 "[ . 1 . 2]"
1 5 LEU 7.404 0.278 8 0 "[ . 1 . 2]"
1 6 ARG 0.857 0.112 18 0 "[ . 1 . 2]"
1 7 PHE 0.506 0.018 20 0 "[ . 1 . 2]"
1 8 VAL 0.757 0.031 18 0 "[ . 1 . 2]"
1 9 ALA 0.027 0.008 20 0 "[ . 1 . 2]"
1 10 GLY 0.187 0.063 20 0 "[ . 1 . 2]"
1 11 TYR 0.042 0.017 20 0 "[ . 1 . 2]"
1 12 ASP 0.073 0.033 20 0 "[ . 1 . 2]"
1 13 ILE 0.164 0.063 20 0 "[ . 1 . 2]"
1 14 ALA 0.014 0.012 20 0 "[ . 1 . 2]"
1 15 SER 0.004 0.002 15 0 "[ . 1 . 2]"
1 16 HIS 0.002 0.002 15 0 "[ . 1 . 2]"
1 17 LYS 0.028 0.028 2 0 "[ . 1 . 2]"
1 18 LYS 0.030 0.028 2 0 "[ . 1 . 2]"
1 19 LYS 0.419 0.030 7 0 "[ . 1 . 2]"
1 20 THR 0.538 0.075 17 0 "[ . 1 . 2]"
1 21 GLY 0.127 0.075 17 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 6.287 0.299 4 0 "[ . 1 . 2]"
1 24 PRO 5.971 0.299 4 0 "[ . 1 . 2]"
1 25 TRP 6.041 0.137 17 0 "[ . 1 . 2]"
1 26 GLU 3.078 0.132 16 0 "[ . 1 . 2]"
1 27 ARG 0.513 0.077 16 0 "[ . 1 . 2]"
1 28 GLY 0.121 0.077 16 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 15 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 15 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 1 MET QB 1 2 LYS H . . 4.270 2.851 1.964 3.828 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET HB2 1 2 LYS H . . 5.120 3.604 1.980 4.617 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HB3 1 2 LYS H . . 5.120 3.120 2.213 4.102 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET ME 1 5 LEU MD1 . . 5.220 2.976 1.958 4.063 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET ME 1 5 LEU QD . . 3.980 2.917 1.954 3.867 . 0 0 "[ . 1 . 2]" 1
6 1 1 MET ME 1 5 LEU MD2 . . 5.220 4.508 3.929 5.003 . 0 0 "[ . 1 . 2]" 1
7 1 1 MET QG 1 2 LYS H . . 5.240 3.551 1.980 4.497 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS H 1 2 LYS QB . . 3.600 2.425 2.180 2.760 . 0 0 "[ . 1 . 2]" 1
9 1 2 LYS H 1 2 LYS HG2 . . 4.840 3.752 2.683 4.513 . 0 0 "[ . 1 . 2]" 1
10 1 2 LYS H 1 2 LYS HG3 . . 4.840 3.434 2.551 4.092 . 0 0 "[ . 1 . 2]" 1
11 1 2 LYS H 1 3 THR H . . 4.900 4.143 3.795 4.613 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS HA 1 3 THR H . . 3.010 2.169 2.165 2.224 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS HA 1 4 ILE MG . . 5.340 4.483 4.420 4.972 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS HA 1 5 LEU QD . . 5.440 3.879 3.841 3.895 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS QB 1 2 LYS QE . . 4.550 3.173 2.257 3.665 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS QB 1 3 THR H . . 3.970 3.571 2.943 3.614 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS QB 1 4 ILE QG . . 1.560 1.834 1.831 1.882 0.322 18 0 "[ . 1 . 2]" 1
18 1 2 LYS QB 1 4 ILE MG . . 4.650 3.587 3.550 3.734 . 0 0 "[ . 1 . 2]" 1
19 1 2 LYS QB 1 5 LEU H . . 4.530 2.815 2.695 2.824 . 0 0 "[ . 1 . 2]" 1
20 1 2 LYS QB 1 5 LEU QD . . 1.560 1.835 1.789 1.838 0.278 8 0 "[ . 1 . 2]" 1
21 1 2 LYS HB2 1 3 THR H . . 4.630 4.504 4.192 4.522 . 0 0 "[ . 1 . 2]" 1
22 1 2 LYS HB2 1 5 LEU MD1 . . 3.520 1.893 1.875 2.206 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HB2 1 5 LEU MD2 . . 3.520 2.805 1.941 2.861 . 0 0 "[ . 1 . 2]" 1
24 1 2 LYS HB3 1 3 THR H . . 4.630 3.747 3.006 3.801 . 0 0 "[ . 1 . 2]" 1
25 1 2 LYS HB3 1 5 LEU MD1 . . 3.520 3.341 3.326 3.539 0.019 18 0 "[ . 1 . 2]" 1
26 1 2 LYS HB3 1 5 LEU MD2 . . 3.520 3.480 2.696 3.522 0.002 15 0 "[ . 1 . 2]" 1
27 1 2 LYS QD 1 5 LEU H . . 4.810 4.593 4.427 4.761 . 0 0 "[ . 1 . 2]" 1
28 1 3 THR H 1 3 THR HB . . 4.000 3.332 3.203 3.388 . 0 0 "[ . 1 . 2]" 1
29 1 3 THR H 1 3 THR MG . . 4.180 3.266 3.151 3.540 . 0 0 "[ . 1 . 2]" 1
30 1 3 THR H 1 4 ILE H . . 3.610 2.724 2.330 2.750 . 0 0 "[ . 1 . 2]" 1
31 1 3 THR H 1 4 ILE MG . . 4.580 4.090 3.683 4.177 . 0 0 "[ . 1 . 2]" 1
32 1 3 THR HA 1 3 THR HB . . 2.870 2.846 2.815 2.874 0.004 18 0 "[ . 1 . 2]" 1
33 1 3 THR HA 1 3 THR MG . . 3.240 2.074 1.969 2.147 . 0 0 "[ . 1 . 2]" 1
34 1 3 THR HA 1 4 ILE H . . 3.460 3.474 3.417 3.479 0.019 15 0 "[ . 1 . 2]" 1
35 1 3 THR HA 1 5 LEU HB2 . . 4.560 4.351 4.334 4.600 0.040 18 0 "[ . 1 . 2]" 1
36 1 3 THR HA 1 6 ARG H . . 4.150 3.635 3.614 3.931 . 0 0 "[ . 1 . 2]" 1
37 1 3 THR HA 1 6 ARG QD . . 4.770 3.828 2.587 4.735 . 0 0 "[ . 1 . 2]" 1
38 1 3 THR HB 1 4 ILE H . . 3.670 3.262 3.206 3.410 . 0 0 "[ . 1 . 2]" 1
39 1 3 THR MG 1 4 ILE H . . 4.530 4.303 4.289 4.359 . 0 0 "[ . 1 . 2]" 1
40 1 3 THR MG 1 4 ILE HA . . 5.170 5.026 4.951 5.106 . 0 0 "[ . 1 . 2]" 1
41 1 3 THR MG 1 5 LEU H . . 5.300 5.136 5.094 5.177 . 0 0 "[ . 1 . 2]" 1
42 1 3 THR MG 1 6 ARG H . . 4.830 4.654 4.534 4.831 0.001 18 0 "[ . 1 . 2]" 1
43 1 3 THR MG 1 7 PHE QE . . 4.120 3.427 3.268 3.599 . 0 0 "[ . 1 . 2]" 1
44 1 3 THR MG 1 7 PHE HZ . . 5.270 4.804 4.658 5.133 . 0 0 "[ . 1 . 2]" 1
45 1 4 ILE H 1 4 ILE HB . . 3.650 3.615 3.613 3.626 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE H 1 4 ILE MD . . 4.720 3.852 3.544 3.870 . 0 0 "[ . 1 . 2]" 1
47 1 4 ILE H 1 4 ILE HG12 . . 3.940 2.955 2.940 3.144 . 0 0 "[ . 1 . 2]" 1
48 1 4 ILE H 1 4 ILE HG13 . . 3.940 2.301 1.938 2.322 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE H 1 4 ILE MG . . 3.590 2.230 2.083 2.337 . 0 0 "[ . 1 . 2]" 1
50 1 4 ILE H 1 5 LEU H . . 3.800 2.632 2.462 2.649 . 0 0 "[ . 1 . 2]" 1
51 1 4 ILE H 1 6 ARG H . . 4.550 4.555 4.548 4.608 0.058 18 0 "[ . 1 . 2]" 1
52 1 4 ILE HA 1 4 ILE MD . . 3.810 3.811 3.713 3.818 0.008 19 0 "[ . 1 . 2]" 1
53 1 4 ILE HA 1 4 ILE HG12 . . 4.220 4.134 4.129 4.195 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE HA 1 4 ILE QG . . 3.540 3.340 3.337 3.375 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE HA 1 4 ILE HG13 . . 4.220 3.526 3.523 3.558 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE HA 1 4 ILE MG . . 3.270 2.295 2.255 2.397 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE HA 1 7 PHE H . . 4.300 3.373 3.263 3.382 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE HA 1 7 PHE HB2 . . 3.800 3.148 2.865 3.165 . 0 0 "[ . 1 . 2]" 1
59 1 4 ILE HA 1 7 PHE HB3 . . 4.640 4.646 4.451 4.658 0.018 20 0 "[ . 1 . 2]" 1
60 1 4 ILE HA 1 7 PHE QD . . 3.890 1.995 1.989 1.997 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE HB 1 4 ILE MD . . 3.500 2.189 2.179 2.209 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE HB 1 5 LEU H . . 4.030 3.974 3.957 3.999 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE HB 1 5 LEU HA . . 4.860 4.606 4.592 4.615 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE HB 1 8 VAL MG1 . . 5.020 4.589 4.260 4.612 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE MD 1 5 LEU H . . 4.350 3.197 2.707 3.231 . 0 0 "[ . 1 . 2]" 1
66 1 4 ILE MD 1 7 PHE QD . . 4.900 4.908 4.907 4.911 0.011 18 0 "[ . 1 . 2]" 1
67 1 4 ILE MD 1 8 VAL H . . 4.400 4.082 3.771 4.107 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE MD 1 8 VAL MG1 . . 3.100 3.081 2.645 3.105 0.005 14 0 "[ . 1 . 2]" 1
69 1 4 ILE QG 1 5 LEU H . . 4.910 2.063 2.034 2.349 . 0 0 "[ . 1 . 2]" 1
70 1 4 ILE HG12 1 4 ILE MG . . 3.160 2.054 1.956 2.197 . 0 0 "[ . 1 . 2]" 1
71 1 4 ILE HG13 1 4 ILE MG . . 3.160 2.858 2.692 2.909 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE MG 1 5 LEU H . . 4.230 3.988 3.969 4.044 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE MG 1 7 PHE QD . . 3.940 3.896 3.770 3.955 0.015 14 0 "[ . 1 . 2]" 1
74 1 4 ILE MG 1 7 PHE QE . . 5.100 4.131 4.070 4.411 . 0 0 "[ . 1 . 2]" 1
75 1 5 LEU H 1 5 LEU HB2 . . 3.610 2.552 2.541 2.749 . 0 0 "[ . 1 . 2]" 1
76 1 5 LEU H 1 5 LEU HB3 . . 3.560 3.584 3.566 3.586 0.026 19 0 "[ . 1 . 2]" 1
77 1 5 LEU H 1 5 LEU MD1 . . 4.170 3.454 3.446 3.591 . 0 0 "[ . 1 . 2]" 1
78 1 5 LEU H 1 5 LEU QD . . 3.510 3.026 2.598 3.050 . 0 0 "[ . 1 . 2]" 1
79 1 5 LEU H 1 5 LEU MD2 . . 4.170 3.362 2.666 3.401 . 0 0 "[ . 1 . 2]" 1
80 1 5 LEU H 1 5 LEU HG . . 3.470 2.114 1.930 2.127 . 0 0 "[ . 1 . 2]" 1
81 1 5 LEU H 1 6 ARG H . . 3.110 2.783 2.775 2.867 . 0 0 "[ . 1 . 2]" 1
82 1 5 LEU H 1 6 ARG QG . . 5.060 4.644 4.034 5.037 . 0 0 "[ . 1 . 2]" 1
83 1 5 LEU H 1 8 VAL MG1 . . 4.690 4.210 4.059 4.221 . 0 0 "[ . 1 . 2]" 1
84 1 5 LEU HA 1 5 LEU MD1 . . 3.960 3.918 3.884 3.920 . 0 0 "[ . 1 . 2]" 1
85 1 5 LEU HA 1 5 LEU QD . . 3.030 2.071 2.066 2.076 . 0 0 "[ . 1 . 2]" 1
86 1 5 LEU HA 1 5 LEU MD2 . . 3.960 2.079 2.073 2.085 . 0 0 "[ . 1 . 2]" 1
87 1 5 LEU HA 1 5 LEU HG . . 3.970 3.039 3.021 3.366 . 0 0 "[ . 1 . 2]" 1
88 1 5 LEU HA 1 7 PHE QD . . 5.500 5.049 5.026 5.421 . 0 0 "[ . 1 . 2]" 1
89 1 5 LEU HA 1 8 VAL H . . 4.330 3.569 3.562 3.658 . 0 0 "[ . 1 . 2]" 1
90 1 5 LEU HA 1 8 VAL HB . . 4.100 4.029 4.027 4.050 . 0 0 "[ . 1 . 2]" 1
91 1 5 LEU HA 1 8 VAL MG1 . . 3.540 1.936 1.918 1.938 . 0 0 "[ . 1 . 2]" 1
92 1 5 LEU HB2 1 6 ARG H . . 3.870 2.494 2.388 2.501 . 0 0 "[ . 1 . 2]" 1
93 1 5 LEU HB3 1 5 LEU MD1 . . 3.590 2.516 2.394 2.525 . 0 0 "[ . 1 . 2]" 1
94 1 5 LEU HB3 1 5 LEU QD . . 3.010 2.152 2.151 2.154 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU HB3 1 5 LEU MD2 . . 3.590 2.340 2.333 2.444 . 0 0 "[ . 1 . 2]" 1
96 1 5 LEU HB3 1 6 ARG H . . 3.560 3.598 3.593 3.672 0.112 18 0 "[ . 1 . 2]" 1
97 1 5 LEU QD 1 6 ARG H . . 4.660 3.949 3.887 3.955 . 0 0 "[ . 1 . 2]" 1
98 1 5 LEU QD 1 8 VAL HB . . 4.710 4.740 4.738 4.741 0.031 18 0 "[ . 1 . 2]" 1
99 1 5 LEU QD 1 8 VAL MG1 . . 3.380 2.762 2.746 2.970 . 0 0 "[ . 1 . 2]" 1
100 1 5 LEU QD 1 9 ALA H . . 5.440 4.975 4.961 5.178 . 0 0 "[ . 1 . 2]" 1
101 1 5 LEU HG 1 6 ARG H . . 4.780 4.251 3.905 4.271 . 0 0 "[ . 1 . 2]" 1
102 1 6 ARG H 1 6 ARG QB . . 3.200 2.364 2.187 2.619 . 0 0 "[ . 1 . 2]" 1
103 1 6 ARG H 1 6 ARG QD . . 4.340 3.841 3.000 4.281 . 0 0 "[ . 1 . 2]" 1
104 1 6 ARG H 1 6 ARG QG . . 3.580 2.429 1.954 2.792 . 0 0 "[ . 1 . 2]" 1
105 1 6 ARG H 1 7 PHE H . . 3.450 2.720 2.718 2.720 . 0 0 "[ . 1 . 2]" 1
106 1 6 ARG H 1 7 PHE QD . . 4.430 3.511 3.494 3.772 . 0 0 "[ . 1 . 2]" 1
107 1 6 ARG H 1 9 ALA MB . . 5.010 4.334 4.282 4.367 . 0 0 "[ . 1 . 2]" 1
108 1 6 ARG HA 1 6 ARG QD . . 4.140 3.854 2.245 4.110 . 0 0 "[ . 1 . 2]" 1
109 1 6 ARG HA 1 6 ARG QG . . 3.380 2.350 2.152 2.837 . 0 0 "[ . 1 . 2]" 1
110 1 6 ARG HA 1 8 VAL MG1 . . 4.680 4.643 4.641 4.645 . 0 0 "[ . 1 . 2]" 1
111 1 6 ARG HA 1 9 ALA H . . 3.880 3.763 3.758 3.784 . 0 0 "[ . 1 . 2]" 1
112 1 6 ARG HA 1 9 ALA MB . . 3.300 2.492 2.407 2.605 . 0 0 "[ . 1 . 2]" 1
113 1 6 ARG HA 1 10 GLY H . . 5.280 5.105 5.097 5.152 . 0 0 "[ . 1 . 2]" 1
114 1 6 ARG QB 1 6 ARG QD . . 3.420 2.110 1.953 2.584 . 0 0 "[ . 1 . 2]" 1
115 1 6 ARG QB 1 6 ARG HE . . 4.200 3.366 2.153 4.166 . 0 0 "[ . 1 . 2]" 1
116 1 6 ARG QB 1 7 PHE H . . 3.150 2.809 2.730 2.858 . 0 0 "[ . 1 . 2]" 1
117 1 6 ARG HE 1 6 ARG QG . . 3.790 2.714 2.070 3.234 . 0 0 "[ . 1 . 2]" 1
118 1 6 ARG QG 1 7 PHE H . . 5.280 4.257 3.907 4.430 . 0 0 "[ . 1 . 2]" 1
119 1 6 ARG QG 1 7 PHE QD . . 5.500 4.807 4.217 5.103 . 0 0 "[ . 1 . 2]" 1
120 1 7 PHE H 1 7 PHE HB2 . . 3.350 2.433 2.378 2.438 . 0 0 "[ . 1 . 2]" 1
121 1 7 PHE H 1 7 PHE HB3 . . 3.610 3.596 3.585 3.598 . 0 0 "[ . 1 . 2]" 1
122 1 7 PHE H 1 7 PHE QD . . 4.140 1.965 1.949 2.189 . 0 0 "[ . 1 . 2]" 1
123 1 7 PHE H 1 8 VAL H . . 3.510 2.731 2.730 2.735 . 0 0 "[ . 1 . 2]" 1
124 1 7 PHE H 1 8 VAL HB . . 5.380 5.048 5.038 5.050 . 0 0 "[ . 1 . 2]" 1
125 1 7 PHE H 1 8 VAL MG1 . . 4.040 3.792 3.787 3.794 . 0 0 "[ . 1 . 2]" 1
126 1 7 PHE H 1 9 ALA MB . . 4.370 4.239 4.162 4.323 . 0 0 "[ . 1 . 2]" 1
127 1 7 PHE H 1 10 GLY H . . 5.320 5.136 5.127 5.176 . 0 0 "[ . 1 . 2]" 1
128 1 7 PHE HA 1 7 PHE QD . . 3.460 3.100 3.010 3.107 . 0 0 "[ . 1 . 2]" 1
129 1 7 PHE HA 1 9 ALA H . . 4.330 4.166 4.093 4.172 . 0 0 "[ . 1 . 2]" 1
130 1 7 PHE HB2 1 8 VAL H . . 3.760 2.211 2.206 2.246 . 0 0 "[ . 1 . 2]" 1
131 1 7 PHE HB2 1 8 VAL HB . . 4.900 4.056 4.049 4.117 . 0 0 "[ . 1 . 2]" 1
132 1 7 PHE HB3 1 8 VAL H . . 3.810 3.214 3.143 3.220 . 0 0 "[ . 1 . 2]" 1
133 1 7 PHE QD 1 8 VAL H . . 4.900 3.884 3.873 3.996 . 0 0 "[ . 1 . 2]" 1
134 1 7 PHE QD 1 8 VAL MG1 . . 5.190 4.943 4.930 5.092 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL H 1 8 VAL HB . . 3.510 2.430 2.422 2.433 . 0 0 "[ . 1 . 2]" 1
136 1 8 VAL H 1 8 VAL MG1 . . 3.290 2.242 2.239 2.252 . 0 0 "[ . 1 . 2]" 1
137 1 8 VAL H 1 8 VAL MG2 . . 4.040 3.744 3.742 3.745 . 0 0 "[ . 1 . 2]" 1
138 1 8 VAL H 1 9 ALA MB . . 5.480 4.317 4.263 4.370 . 0 0 "[ . 1 . 2]" 1
139 1 8 VAL HA 1 8 VAL MG1 . . 3.390 3.200 3.199 3.200 . 0 0 "[ . 1 . 2]" 1
140 1 8 VAL HA 1 8 VAL MG2 . . 3.300 2.270 2.223 2.327 . 0 0 "[ . 1 . 2]" 1
141 1 8 VAL HA 1 9 ALA MB . . 5.100 4.968 4.957 4.980 . 0 0 "[ . 1 . 2]" 1
142 1 8 VAL HA 1 11 TYR H . . 4.080 3.045 2.981 3.077 . 0 0 "[ . 1 . 2]" 1
143 1 8 VAL HA 1 11 TYR QD . . 4.330 4.241 4.097 4.330 . 0 0 "[ . 1 . 2]" 1
144 1 8 VAL HA 1 12 ASP H . . 4.850 4.541 4.355 4.696 . 0 0 "[ . 1 . 2]" 1
145 1 8 VAL HB 1 9 ALA H . . 4.080 3.964 3.961 3.984 . 0 0 "[ . 1 . 2]" 1
146 1 8 VAL HB 1 10 GLY H . . 5.500 5.503 5.502 5.516 0.016 20 0 "[ . 1 . 2]" 1
147 1 8 VAL MG1 1 9 ALA H . . 3.810 2.263 2.258 2.303 . 0 0 "[ . 1 . 2]" 1
148 1 8 VAL MG1 1 11 TYR QD . . 5.430 5.320 5.252 5.381 . 0 0 "[ . 1 . 2]" 1
149 1 8 VAL MG1 1 12 ASP HB2 . . 5.290 5.053 4.860 5.296 0.006 20 0 "[ . 1 . 2]" 1
150 1 8 VAL MG2 1 9 ALA H . . 3.910 3.860 3.853 3.886 . 0 0 "[ . 1 . 2]" 1
151 1 8 VAL MG2 1 9 ALA HA . . 3.930 3.927 3.919 3.938 0.008 20 0 "[ . 1 . 2]" 1
152 1 8 VAL MG2 1 11 TYR H . . 4.420 4.007 3.874 4.102 . 0 0 "[ . 1 . 2]" 1
153 1 8 VAL MG2 1 11 TYR QD . . 4.590 2.845 2.783 2.901 . 0 0 "[ . 1 . 2]" 1
154 1 9 ALA H 1 9 ALA MB . . 2.890 2.162 2.068 2.234 . 0 0 "[ . 1 . 2]" 1
155 1 9 ALA HA 1 10 GLY H . . 3.470 3.459 3.450 3.467 . 0 0 "[ . 1 . 2]" 1
156 1 9 ALA HA 1 12 ASP H . . 4.450 4.090 4.030 4.138 . 0 0 "[ . 1 . 2]" 1
157 1 9 ALA HA 1 12 ASP HB2 . . 4.190 4.080 3.922 4.194 0.004 20 0 "[ . 1 . 2]" 1
158 1 9 ALA HA 1 12 ASP HB3 . . 4.380 4.257 4.090 4.387 0.007 20 0 "[ . 1 . 2]" 1
159 1 9 ALA MB 1 10 GLY H . . 3.410 2.928 2.864 2.975 . 0 0 "[ . 1 . 2]" 1
160 1 9 ALA MB 1 10 GLY QA . . 4.510 3.632 3.610 3.650 . 0 0 "[ . 1 . 2]" 1
161 1 9 ALA MB 1 11 TYR H . . 5.500 4.682 4.569 4.758 . 0 0 "[ . 1 . 2]" 1
162 1 9 ALA MB 1 12 ASP H . . 5.440 5.152 5.096 5.206 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLY H 1 11 TYR H . . 3.320 2.352 2.306 2.383 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLY QA 1 13 ILE HB . . 3.590 2.969 2.862 3.304 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLY QA 1 13 ILE MD . . 4.400 4.184 1.858 4.395 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLY QA 1 13 ILE HG12 . . 4.360 2.996 2.820 4.420 0.060 20 0 "[ . 1 . 2]" 1
167 1 10 GLY QA 1 13 ILE QG . . 3.820 2.786 2.644 3.883 0.063 20 0 "[ . 1 . 2]" 1
168 1 10 GLY QA 1 13 ILE HG13 . . 4.360 3.328 3.157 4.304 . 0 0 "[ . 1 . 2]" 1
169 1 10 GLY QA 1 14 ALA MB . . 4.790 4.170 4.051 4.314 . 0 0 "[ . 1 . 2]" 1
170 1 11 TYR H 1 11 TYR HB2 . . 3.510 2.591 2.542 2.666 . 0 0 "[ . 1 . 2]" 1
171 1 11 TYR H 1 11 TYR HB3 . . 3.490 2.470 2.406 2.517 . 0 0 "[ . 1 . 2]" 1
172 1 11 TYR H 1 11 TYR QD . . 4.260 4.190 4.186 4.193 . 0 0 "[ . 1 . 2]" 1
173 1 11 TYR H 1 12 ASP H . . 3.920 2.815 2.715 2.853 . 0 0 "[ . 1 . 2]" 1
174 1 11 TYR H 1 14 ALA H . . 4.660 4.620 4.580 4.672 0.012 20 0 "[ . 1 . 2]" 1
175 1 11 TYR HA 1 11 TYR QD . . 3.520 2.188 2.133 2.247 . 0 0 "[ . 1 . 2]" 1
176 1 11 TYR HA 1 11 TYR QE . . 4.910 4.473 4.423 4.506 . 0 0 "[ . 1 . 2]" 1
177 1 11 TYR HA 1 14 ALA H . . 3.900 3.158 3.059 3.241 . 0 0 "[ . 1 . 2]" 1
178 1 11 TYR HA 1 14 ALA MB . . 3.520 2.457 2.271 2.662 . 0 0 "[ . 1 . 2]" 1
179 1 11 TYR HB2 1 12 ASP H . . 3.910 3.870 3.803 3.927 0.017 20 0 "[ . 1 . 2]" 1
180 1 11 TYR HB3 1 12 ASP H . . 4.030 2.500 2.413 2.635 . 0 0 "[ . 1 . 2]" 1
181 1 11 TYR HB3 1 12 ASP HA . . 4.480 4.317 4.259 4.360 . 0 0 "[ . 1 . 2]" 1
182 1 11 TYR QD 1 12 ASP H . . 4.440 3.829 3.689 4.020 . 0 0 "[ . 1 . 2]" 1
183 1 11 TYR QD 1 12 ASP HA . . 4.320 4.267 4.151 4.324 0.004 20 0 "[ . 1 . 2]" 1
184 1 11 TYR QD 1 12 ASP HB2 . . 4.950 4.677 4.482 4.952 0.002 20 0 "[ . 1 . 2]" 1
185 1 11 TYR QD 1 13 ILE H . . 5.320 5.273 5.175 5.328 0.008 20 0 "[ . 1 . 2]" 1
186 1 12 ASP H 1 12 ASP HB2 . . 3.550 2.261 2.185 2.382 . 0 0 "[ . 1 . 2]" 1
187 1 12 ASP H 1 12 ASP HB3 . . 3.480 2.840 2.690 2.944 . 0 0 "[ . 1 . 2]" 1
188 1 12 ASP H 1 13 ILE H . . 4.120 2.698 2.654 2.729 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASP H 1 13 ILE HA . . 5.370 5.311 5.273 5.337 . 0 0 "[ . 1 . 2]" 1
190 1 12 ASP H 1 13 ILE QG . . 4.670 4.049 3.970 4.703 0.033 20 0 "[ . 1 . 2]" 1
191 1 12 ASP HA 1 13 ILE H . . 3.530 3.479 3.472 3.488 . 0 0 "[ . 1 . 2]" 1
192 1 12 ASP HA 1 15 SER H . . 4.800 3.698 3.617 3.765 . 0 0 "[ . 1 . 2]" 1
193 1 12 ASP HB2 1 13 ILE H . . 4.160 3.832 3.731 3.934 . 0 0 "[ . 1 . 2]" 1
194 1 12 ASP HB3 1 13 ILE H . . 4.300 2.931 2.858 2.974 . 0 0 "[ . 1 . 2]" 1
195 1 13 ILE H 1 13 ILE HB . . 3.210 2.598 2.559 2.621 . 0 0 "[ . 1 . 2]" 1
196 1 13 ILE H 1 13 ILE MD . . 4.120 3.160 2.138 3.294 . 0 0 "[ . 1 . 2]" 1
197 1 13 ILE H 1 13 ILE HG12 . . 4.020 2.265 2.135 3.958 . 0 0 "[ . 1 . 2]" 1
198 1 13 ILE H 1 13 ILE QG . . 3.230 2.187 2.121 2.710 . 0 0 "[ . 1 . 2]" 1
199 1 13 ILE H 1 13 ILE HG13 . . 4.020 3.622 2.759 3.710 . 0 0 "[ . 1 . 2]" 1
200 1 13 ILE H 1 13 ILE MG . . 3.800 3.796 3.791 3.799 . 0 0 "[ . 1 . 2]" 1
201 1 13 ILE H 1 14 ALA H . . 3.450 2.337 2.313 2.375 . 0 0 "[ . 1 . 2]" 1
202 1 13 ILE H 1 14 ALA MB . . 4.100 3.998 3.928 4.078 . 0 0 "[ . 1 . 2]" 1
203 1 13 ILE HA 1 13 ILE MD . . 4.580 2.148 1.981 3.649 . 0 0 "[ . 1 . 2]" 1
204 1 13 ILE HA 1 13 ILE MG . . 3.360 2.276 2.219 2.356 . 0 0 "[ . 1 . 2]" 1
205 1 13 ILE HA 1 14 ALA H . . 3.530 3.503 3.485 3.521 . 0 0 "[ . 1 . 2]" 1
206 1 13 ILE HA 1 15 SER H . . 4.230 4.038 3.885 4.115 . 0 0 "[ . 1 . 2]" 1
207 1 13 ILE HB 1 13 ILE MD . . 3.380 3.172 2.218 3.231 . 0 0 "[ . 1 . 2]" 1
208 1 13 ILE HB 1 14 ALA H . . 3.620 2.795 2.692 2.883 . 0 0 "[ . 1 . 2]" 1
209 1 13 ILE MD 1 14 ALA H . . 4.940 4.546 3.731 4.633 . 0 0 "[ . 1 . 2]" 1
210 1 13 ILE MD 1 15 SER H . . 5.500 5.409 5.360 5.471 . 0 0 "[ . 1 . 2]" 1
211 1 13 ILE QG 1 14 ALA H . . 4.740 3.929 3.857 4.262 . 0 0 "[ . 1 . 2]" 1
212 1 13 ILE MG 1 14 ALA H . . 3.950 3.743 3.650 3.832 . 0 0 "[ . 1 . 2]" 1
213 1 13 ILE MG 1 14 ALA HA . . 3.970 3.762 3.625 3.925 . 0 0 "[ . 1 . 2]" 1
214 1 13 ILE MG 1 15 SER H . . 5.500 4.920 4.797 5.009 . 0 0 "[ . 1 . 2]" 1
215 1 13 ILE MG 1 17 LYS H . . 5.500 4.184 3.680 5.285 . 0 0 "[ . 1 . 2]" 1
216 1 14 ALA H 1 14 ALA MB . . 3.020 2.135 2.045 2.248 . 0 0 "[ . 1 . 2]" 1
217 1 14 ALA H 1 15 SER H . . 4.710 2.496 2.459 2.555 . 0 0 "[ . 1 . 2]" 1
218 1 14 ALA H 1 15 SER HA . . 5.080 5.065 5.030 5.081 0.001 15 0 "[ . 1 . 2]" 1
219 1 14 ALA HA 1 17 LYS H . . 3.680 3.150 2.883 3.599 . 0 0 "[ . 1 . 2]" 1
220 1 14 ALA MB 1 15 SER H . . 3.270 2.905 2.828 2.953 . 0 0 "[ . 1 . 2]" 1
221 1 15 SER H 1 15 SER QB . . 3.470 2.265 2.057 2.607 . 0 0 "[ . 1 . 2]" 1
222 1 15 SER H 1 16 HIS HD2 . . 5.500 4.786 3.719 5.502 0.002 15 0 "[ . 1 . 2]" 1
223 1 15 SER QB 1 16 HIS H . . 4.290 2.673 2.365 2.922 . 0 0 "[ . 1 . 2]" 1
224 1 16 HIS H 1 16 HIS HB2 . . 3.670 2.744 2.197 3.662 . 0 0 "[ . 1 . 2]" 1
225 1 16 HIS H 1 16 HIS HB3 . . 3.670 3.336 2.604 3.669 . 0 0 "[ . 1 . 2]" 1
226 1 16 HIS H 1 16 HIS HD2 . . 4.230 3.075 2.230 3.681 . 0 0 "[ . 1 . 2]" 1
227 1 16 HIS H 1 17 LYS QB . . 4.170 4.059 3.795 4.166 . 0 0 "[ . 1 . 2]" 1
228 1 16 HIS HA 1 16 HIS HD2 . . 4.770 3.558 2.325 4.716 . 0 0 "[ . 1 . 2]" 1
229 1 16 HIS HB2 1 17 LYS H . . 4.360 3.222 2.379 4.079 . 0 0 "[ . 1 . 2]" 1
230 1 16 HIS HB3 1 17 LYS H . . 4.360 3.766 3.182 4.335 . 0 0 "[ . 1 . 2]" 1
231 1 16 HIS HD2 1 17 LYS H . . 5.500 4.549 2.417 5.324 . 0 0 "[ . 1 . 2]" 1
232 1 17 LYS H 1 17 LYS HB2 . . 3.990 2.390 2.075 2.579 . 0 0 "[ . 1 . 2]" 1
233 1 17 LYS H 1 17 LYS QB . . 3.210 2.238 2.056 2.356 . 0 0 "[ . 1 . 2]" 1
234 1 17 LYS H 1 17 LYS HB3 . . 3.990 2.869 2.465 3.592 . 0 0 "[ . 1 . 2]" 1
235 1 17 LYS H 1 17 LYS QE . . 5.500 4.685 3.757 5.430 . 0 0 "[ . 1 . 2]" 1
236 1 17 LYS H 1 18 LYS H . . 3.640 2.887 2.543 3.093 . 0 0 "[ . 1 . 2]" 1
237 1 17 LYS HA 1 17 LYS QE . . 5.030 3.781 2.282 4.727 . 0 0 "[ . 1 . 2]" 1
238 1 17 LYS QB 1 17 LYS QD . . 2.920 2.130 1.971 2.292 . 0 0 "[ . 1 . 2]" 1
239 1 17 LYS QB 1 18 LYS H . . 3.550 2.245 1.972 2.781 . 0 0 "[ . 1 . 2]" 1
240 1 17 LYS HB2 1 18 LYS H . . 4.080 3.291 2.027 4.056 . 0 0 "[ . 1 . 2]" 1
241 1 17 LYS HB3 1 18 LYS H . . 4.080 2.425 1.983 2.872 . 0 0 "[ . 1 . 2]" 1
242 1 17 LYS QD 1 18 LYS H . . 5.280 4.649 3.654 5.260 . 0 0 "[ . 1 . 2]" 1
243 1 17 LYS QG 1 18 LYS H . . 3.910 3.651 3.013 3.938 0.028 2 0 "[ . 1 . 2]" 1
244 1 18 LYS H 1 18 LYS HA . . 2.940 2.839 2.273 2.939 . 0 0 "[ . 1 . 2]" 1
245 1 18 LYS H 1 18 LYS QD . . 5.500 4.493 3.511 5.050 . 0 0 "[ . 1 . 2]" 1
246 1 18 LYS H 1 18 LYS QG . . 4.500 3.956 2.613 4.353 . 0 0 "[ . 1 . 2]" 1
247 1 18 LYS H 1 19 LYS H . . 4.330 3.952 3.134 4.332 0.002 3 0 "[ . 1 . 2]" 1
248 1 18 LYS H 1 19 LYS HA . . 5.110 4.781 4.473 5.109 . 0 0 "[ . 1 . 2]" 1
249 1 18 LYS HA 1 18 LYS QE . . 5.500 4.201 2.618 5.415 . 0 0 "[ . 1 . 2]" 1
250 1 18 LYS HA 1 19 LYS H . . 2.860 2.262 2.140 2.714 . 0 0 "[ . 1 . 2]" 1
251 1 18 LYS QB 1 18 LYS QE . . 3.910 3.115 2.307 3.718 . 0 0 "[ . 1 . 2]" 1
252 1 18 LYS QD 1 19 LYS H . . 5.500 4.840 3.406 5.434 . 0 0 "[ . 1 . 2]" 1
253 1 18 LYS QG 1 19 LYS H . . 4.030 3.428 2.598 4.009 . 0 0 "[ . 1 . 2]" 1
254 1 19 LYS H 1 19 LYS HB2 . . 3.640 2.912 2.309 3.640 . 0 0 "[ . 1 . 2]" 1
255 1 19 LYS H 1 19 LYS QB . . 3.120 2.488 2.210 2.971 . 0 0 "[ . 1 . 2]" 1
256 1 19 LYS H 1 19 LYS HB3 . . 3.640 2.794 2.474 3.617 . 0 0 "[ . 1 . 2]" 1
257 1 19 LYS H 1 19 LYS QD . . 5.230 4.424 3.862 4.942 . 0 0 "[ . 1 . 2]" 1
258 1 19 LYS H 1 19 LYS QG . . 4.230 3.904 2.010 4.233 0.003 1 0 "[ . 1 . 2]" 1
259 1 19 LYS H 1 20 THR H . . 4.120 2.817 1.928 4.125 0.005 17 0 "[ . 1 . 2]" 1
260 1 19 LYS HA 1 19 LYS QD . . 4.120 3.578 2.099 4.026 . 0 0 "[ . 1 . 2]" 1
261 1 19 LYS HA 1 19 LYS QE . . 4.570 4.212 2.628 4.566 . 0 0 "[ . 1 . 2]" 1
262 1 19 LYS HA 1 20 THR H . . 3.350 3.002 2.139 3.380 0.030 7 0 "[ . 1 . 2]" 1
263 1 19 LYS HB2 1 20 THR H . . 4.340 4.187 3.921 4.350 0.010 19 0 "[ . 1 . 2]" 1
264 1 19 LYS HB3 1 20 THR H . . 4.340 3.612 3.248 4.342 0.002 1 0 "[ . 1 . 2]" 1
265 1 19 LYS QD 1 20 THR H . . 4.730 3.908 2.316 4.735 0.005 19 0 "[ . 1 . 2]" 1
266 1 19 LYS QD 1 20 THR HB . . 5.500 4.390 2.426 5.500 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS QE 1 20 THR H . . 5.500 4.720 2.364 5.503 0.003 19 0 "[ . 1 . 2]" 1
268 1 19 LYS QE 1 20 THR MG . . 4.620 3.895 2.039 4.620 0.000 1 0 "[ . 1 . 2]" 1
269 1 20 THR H 1 20 THR MG . . 3.660 2.719 2.087 3.659 . 0 0 "[ . 1 . 2]" 1
270 1 20 THR H 1 21 GLY H . . 4.270 3.674 2.099 4.345 0.075 17 0 "[ . 1 . 2]" 1
271 1 20 THR HA 1 20 THR HB . . 2.760 2.481 2.369 2.676 . 0 0 "[ . 1 . 2]" 1
272 1 20 THR HA 1 20 THR MG . . 3.460 2.662 1.988 3.204 . 0 0 "[ . 1 . 2]" 1
273 1 20 THR HA 1 21 GLY H . . 3.240 2.421 2.147 3.055 . 0 0 "[ . 1 . 2]" 1
274 1 20 THR HA 1 22 GLY H . . 5.500 4.687 3.234 5.499 . 0 0 "[ . 1 . 2]" 1
275 1 20 THR HB 1 21 GLY H . . 4.490 4.043 1.949 4.510 0.020 16 0 "[ . 1 . 2]" 1
276 1 20 THR MG 1 21 GLY H . . 4.510 3.979 3.406 4.357 . 0 0 "[ . 1 . 2]" 1
277 1 21 GLY H 1 22 GLY H . . 4.240 3.069 2.130 4.139 . 0 0 "[ . 1 . 2]" 1
278 1 21 GLY H 1 22 GLY QA . . 5.160 4.219 3.695 4.802 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLY QA 1 22 GLY H . . 2.910 2.432 2.152 2.853 . 0 0 "[ . 1 . 2]" 1
280 1 22 GLY H 1 23 TYR H . . 4.270 3.381 2.194 4.265 . 0 0 "[ . 1 . 2]" 1
281 1 22 GLY H 1 23 TYR QD . . 5.500 3.939 2.131 5.353 . 0 0 "[ . 1 . 2]" 1
282 1 22 GLY QA 1 23 TYR H . . 3.090 2.314 2.112 2.824 . 0 0 "[ . 1 . 2]" 1
283 1 23 TYR H 1 23 TYR HB2 . . 3.860 2.647 2.551 2.741 . 0 0 "[ . 1 . 2]" 1
284 1 23 TYR H 1 23 TYR QB . . 3.170 2.595 2.504 2.683 . 0 0 "[ . 1 . 2]" 1
285 1 23 TYR H 1 23 TYR HB3 . . 3.860 3.747 3.631 3.824 . 0 0 "[ . 1 . 2]" 1
286 1 23 TYR H 1 23 TYR QD . . 3.910 2.350 2.000 2.573 . 0 0 "[ . 1 . 2]" 1
287 1 23 TYR H 1 23 TYR QE . . 5.050 4.422 4.052 4.635 . 0 0 "[ . 1 . 2]" 1
288 1 23 TYR H 1 26 GLU HB3 . . 4.460 4.292 4.026 4.456 . 0 0 "[ . 1 . 2]" 1
289 1 23 TYR HA 1 23 TYR QD . . 3.490 3.105 3.104 3.107 . 0 0 "[ . 1 . 2]" 1
290 1 23 TYR HA 1 23 TYR QE . . 4.820 4.779 4.777 4.781 . 0 0 "[ . 1 . 2]" 1
291 1 23 TYR HA 1 24 PRO QD . . 3.060 2.111 2.111 2.112 . 0 0 "[ . 1 . 2]" 1
292 1 23 TYR HA 1 25 TRP H . . 5.170 4.134 4.132 4.134 . 0 0 "[ . 1 . 2]" 1
293 1 23 TYR QB 1 24 PRO QD . . 1.560 1.859 1.857 1.859 0.299 4 0 "[ . 1 . 2]" 1
294 1 23 TYR QB 1 25 TRP H . . 3.840 2.635 2.632 2.636 . 0 0 "[ . 1 . 2]" 1
295 1 23 TYR QB 1 25 TRP HZ2 . . 4.820 4.833 4.815 4.835 0.015 19 0 "[ . 1 . 2]" 1
296 1 23 TYR QB 1 25 TRP HZ3 . . 4.330 2.452 2.450 2.472 . 0 0 "[ . 1 . 2]" 1
297 1 23 TYR QB 1 26 GLU H . . 3.740 1.997 1.996 2.003 . 0 0 "[ . 1 . 2]" 1
298 1 23 TYR HB2 1 25 TRP H . . 4.490 3.254 3.252 3.259 . 0 0 "[ . 1 . 2]" 1
299 1 23 TYR HB2 1 25 TRP HZ3 . . 4.930 4.066 4.062 4.095 . 0 0 "[ . 1 . 2]" 1
300 1 23 TYR HB3 1 25 TRP H . . 4.490 2.785 2.779 2.787 . 0 0 "[ . 1 . 2]" 1
301 1 23 TYR HB3 1 25 TRP HZ3 . . 4.930 2.473 2.470 2.492 . 0 0 "[ . 1 . 2]" 1
302 1 23 TYR QD 1 24 PRO HD2 . . 4.140 3.060 3.050 3.062 . 0 0 "[ . 1 . 2]" 1
303 1 23 TYR QD 1 24 PRO QD . . 3.570 2.976 2.968 2.978 . 0 0 "[ . 1 . 2]" 1
304 1 23 TYR QD 1 24 PRO HD3 . . 4.140 4.067 4.063 4.070 . 0 0 "[ . 1 . 2]" 1
305 1 23 TYR QD 1 25 TRP HE3 . . 3.980 3.983 3.982 3.984 0.004 10 0 "[ . 1 . 2]" 1
306 1 23 TYR QD 1 25 TRP HZ3 . . 3.200 2.087 2.086 2.089 . 0 0 "[ . 1 . 2]" 1
307 1 23 TYR QD 1 26 GLU H . . 4.440 4.089 4.087 4.093 . 0 0 "[ . 1 . 2]" 1
308 1 23 TYR QD 1 26 GLU HB2 . . 3.890 3.457 3.436 3.459 . 0 0 "[ . 1 . 2]" 1
309 1 23 TYR QE 1 26 GLU HB3 . . 5.500 4.125 4.096 4.130 . 0 0 "[ . 1 . 2]" 1
310 1 24 PRO QB 1 25 TRP H . . 3.990 3.279 3.278 3.280 . 0 0 "[ . 1 . 2]" 1
311 1 24 PRO HB2 1 25 TRP H . . 4.630 3.424 3.423 3.425 . 0 0 "[ . 1 . 2]" 1
312 1 24 PRO HB3 1 25 TRP H . . 4.630 4.193 4.192 4.194 . 0 0 "[ . 1 . 2]" 1
313 1 24 PRO QD 1 25 TRP H . . 4.140 2.609 2.608 2.610 . 0 0 "[ . 1 . 2]" 1
314 1 24 PRO QD 1 25 TRP HE3 . . 4.400 2.234 2.230 2.234 . 0 0 "[ . 1 . 2]" 1
315 1 24 PRO QD 1 25 TRP HZ3 . . 4.120 2.556 2.534 2.558 . 0 0 "[ . 1 . 2]" 1
316 1 24 PRO QD 1 26 GLU H . . 4.780 3.537 3.535 3.538 . 0 0 "[ . 1 . 2]" 1
317 1 24 PRO QG 1 25 TRP H . . 4.280 2.460 2.458 2.461 . 0 0 "[ . 1 . 2]" 1
318 1 24 PRO QG 1 25 TRP HE3 . . 3.810 2.056 2.029 2.060 . 0 0 "[ . 1 . 2]" 1
319 1 24 PRO QG 1 25 TRP HZ3 . . 4.910 3.568 3.534 3.572 . 0 0 "[ . 1 . 2]" 1
320 1 25 TRP H 1 25 TRP HB2 . . 3.960 3.763 3.761 3.763 . 0 0 "[ . 1 . 2]" 1
321 1 25 TRP H 1 25 TRP HB3 . . 3.270 2.666 2.664 2.670 . 0 0 "[ . 1 . 2]" 1
322 1 25 TRP H 1 25 TRP HD1 . . 5.000 5.135 5.126 5.137 0.137 17 0 "[ . 1 . 2]" 1
323 1 25 TRP H 1 25 TRP HE3 . . 3.650 1.916 1.915 1.918 . 0 0 "[ . 1 . 2]" 1
324 1 25 TRP H 1 26 GLU H . . 3.590 1.934 1.933 1.937 . 0 0 "[ . 1 . 2]" 1
325 1 25 TRP H 1 26 GLU HB3 . . 5.500 5.170 5.127 5.176 . 0 0 "[ . 1 . 2]" 1
326 1 25 TRP H 1 27 ARG H . . 5.310 5.149 3.600 5.320 0.010 15 0 "[ . 1 . 2]" 1
327 1 25 TRP HA 1 27 ARG H . . 5.500 4.622 3.636 4.733 . 0 0 "[ . 1 . 2]" 1
328 1 25 TRP HB2 1 26 GLU H . . 4.630 4.161 4.153 4.163 . 0 0 "[ . 1 . 2]" 1
329 1 25 TRP HB3 1 25 TRP HE3 . . 3.610 2.733 2.732 2.735 . 0 0 "[ . 1 . 2]" 1
330 1 25 TRP HB3 1 26 GLU H . . 4.550 3.720 3.720 3.721 . 0 0 "[ . 1 . 2]" 1
331 1 25 TRP HD1 1 26 GLU HA . . 4.360 4.298 4.251 4.304 . 0 0 "[ . 1 . 2]" 1
332 1 25 TRP HD1 1 26 GLU HB2 . . 4.850 4.869 4.867 4.873 0.023 16 0 "[ . 1 . 2]" 1
333 1 25 TRP HD1 1 26 GLU HG2 . . 4.300 4.210 4.190 4.311 0.011 16 0 "[ . 1 . 2]" 1
334 1 25 TRP HD1 1 26 GLU HG3 . . 4.300 4.204 4.187 4.312 0.012 16 0 "[ . 1 . 2]" 1
335 1 25 TRP HE3 1 26 GLU H . . 4.170 2.858 2.855 2.876 . 0 0 "[ . 1 . 2]" 1
336 1 25 TRP HE3 1 26 GLU HA . . 5.420 5.542 5.541 5.552 0.132 16 0 "[ . 1 . 2]" 1
337 1 25 TRP HE3 1 26 GLU QG . . 5.340 5.000 4.992 5.061 . 0 0 "[ . 1 . 2]" 1
338 1 25 TRP HZ2 1 26 GLU H . . 5.370 5.240 5.226 5.242 . 0 0 "[ . 1 . 2]" 1
339 1 25 TRP HZ2 1 26 GLU HB2 . . 4.920 3.663 3.661 3.686 . 0 0 "[ . 1 . 2]" 1
340 1 26 GLU H 1 26 GLU HB2 . . 4.010 2.252 2.233 2.255 . 0 0 "[ . 1 . 2]" 1
341 1 26 GLU H 1 26 GLU HB3 . . 3.650 3.321 3.285 3.327 . 0 0 "[ . 1 . 2]" 1
342 1 26 GLU H 1 26 GLU HG2 . . 4.500 4.086 4.080 4.109 . 0 0 "[ . 1 . 2]" 1
343 1 26 GLU H 1 26 GLU QG . . 3.950 3.600 3.597 3.622 . 0 0 "[ . 1 . 2]" 1
344 1 26 GLU H 1 26 GLU HG3 . . 4.500 3.999 3.994 4.026 . 0 0 "[ . 1 . 2]" 1
345 1 26 GLU H 1 27 ARG H . . 3.920 3.808 2.661 3.934 0.014 8 0 "[ . 1 . 2]" 1
346 1 26 GLU HA 1 26 GLU HG2 . . 4.070 2.025 2.021 2.026 . 0 0 "[ . 1 . 2]" 1
347 1 26 GLU HA 1 26 GLU QG . . 3.540 2.006 2.001 2.007 . 0 0 "[ . 1 . 2]" 1
348 1 26 GLU HA 1 26 GLU HG3 . . 4.070 3.235 3.217 3.241 . 0 0 "[ . 1 . 2]" 1
349 1 26 GLU HA 1 27 ARG H . . 3.190 2.352 2.279 3.015 . 0 0 "[ . 1 . 2]" 1
350 1 26 GLU HB3 1 27 ARG H . . 4.410 4.144 4.123 4.147 . 0 0 "[ . 1 . 2]" 1
351 1 27 ARG H 1 27 ARG HB2 . . 3.690 3.126 2.210 3.662 . 0 0 "[ . 1 . 2]" 1
352 1 27 ARG H 1 27 ARG HB3 . . 3.690 2.792 2.416 3.413 . 0 0 "[ . 1 . 2]" 1
353 1 27 ARG H 1 28 GLY H . . 4.070 2.807 1.896 4.043 . 0 0 "[ . 1 . 2]" 1
354 1 27 ARG HA 1 27 ARG QD . . 4.230 3.438 2.108 3.983 . 0 0 "[ . 1 . 2]" 1
355 1 27 ARG HA 1 27 ARG QG . . 3.630 2.782 2.151 3.416 . 0 0 "[ . 1 . 2]" 1
356 1 27 ARG HA 1 28 GLY H . . 3.480 3.128 2.143 3.557 0.077 16 0 "[ . 1 . 2]" 1
357 1 27 ARG QB 1 27 ARG HE . . 4.240 3.170 2.017 4.061 . 0 0 "[ . 1 . 2]" 1
358 1 27 ARG QB 1 28 GLY H . . 4.130 3.328 2.033 3.983 . 0 0 "[ . 1 . 2]" 1
359 1 27 ARG QB 1 28 GLY QA . . 4.900 4.046 3.739 4.331 . 0 0 "[ . 1 . 2]" 1
360 1 27 ARG HB2 1 27 ARG HE . . 4.820 3.920 2.118 4.818 . 0 0 "[ . 1 . 2]" 1
361 1 27 ARG HB2 1 28 GLY H . . 4.760 4.101 3.559 4.634 . 0 0 "[ . 1 . 2]" 1
362 1 27 ARG HB3 1 27 ARG HE . . 4.820 3.690 2.030 4.819 . 0 0 "[ . 1 . 2]" 1
363 1 27 ARG HB3 1 28 GLY H . . 4.760 3.625 2.045 4.640 . 0 0 "[ . 1 . 2]" 1
364 1 27 ARG QD 1 28 GLY QA . . 3.870 3.346 2.507 3.874 0.004 16 0 "[ . 1 . 2]" 1
365 1 27 ARG HE 1 28 GLY QA . . 4.510 3.892 1.932 4.511 0.001 16 0 "[ . 1 . 2]" 1
366 1 27 ARG QG 1 28 GLY H . . 4.470 3.377 2.061 4.470 . 4 0 "[ . 1 . 2]" 1
367 1 28 GLY H 1 29 LYS H . . 4.390 3.855 2.141 4.386 . 0 0 "[ . 1 . 2]" 1
368 1 28 GLY QA 1 29 LYS QG . . 4.690 3.794 3.530 4.379 . 0 0 "[ . 1 . 2]" 1
369 1 28 GLY QA 1 30 ALA H . . 4.380 3.532 3.144 4.372 . 0 0 "[ . 1 . 2]" 1
370 1 29 LYS H 1 29 LYS QB . . 3.490 2.550 2.254 2.941 . 0 0 "[ . 1 . 2]" 1
371 1 29 LYS H 1 29 LYS QD . . 4.750 3.713 2.450 4.501 . 0 0 "[ . 1 . 2]" 1
372 1 29 LYS H 1 29 LYS QG . . 3.720 2.219 1.945 2.868 . 0 0 "[ . 1 . 2]" 1
373 1 29 LYS H 1 30 ALA H . . 4.090 2.465 1.984 2.954 . 0 0 "[ . 1 . 2]" 1
374 1 29 LYS HA 1 29 LYS QD . . 4.530 3.972 2.441 4.455 . 0 0 "[ . 1 . 2]" 1
375 1 29 LYS HA 1 29 LYS QG . . 3.710 3.122 2.250 3.410 . 0 0 "[ . 1 . 2]" 1
376 1 29 LYS HA 1 30 ALA H . . 3.560 3.506 3.470 3.560 . 15 0 "[ . 1 . 2]" 1
377 1 29 LYS QB 1 29 LYS QD . . 3.120 2.122 1.963 2.265 . 0 0 "[ . 1 . 2]" 1
378 1 29 LYS HB2 1 29 LYS QD . . 3.640 2.640 2.206 3.247 . 0 0 "[ . 1 . 2]" 1
379 1 29 LYS HB2 1 30 ALA H . . 4.200 3.500 2.112 4.034 . 0 0 "[ . 1 . 2]" 1
380 1 29 LYS HB3 1 29 LYS QD . . 3.640 2.332 1.999 3.183 . 0 0 "[ . 1 . 2]" 1
381 1 29 LYS HB3 1 30 ALA H . . 4.200 3.783 2.685 4.136 . 0 0 "[ . 1 . 2]" 1
382 1 29 LYS QD 1 30 ALA H . . 4.900 4.271 3.037 4.787 . 0 0 "[ . 1 . 2]" 1
383 1 29 LYS QG 1 30 ALA H . . 3.960 2.632 1.964 3.949 . 0 0 "[ . 1 . 2]" 1
384 1 30 ALA H 1 30 ALA MB . . 3.600 2.447 2.082 2.873 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, May 18, 2024 2:10:53 AM GMT (wattos1)