NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601116 |
2rvn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rvn
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 311
_Distance_constraint_stats_list.Viol_count 291
_Distance_constraint_stats_list.Viol_total 6627.119
_Distance_constraint_stats_list.Viol_max 8.238
_Distance_constraint_stats_list.Viol_rms 0.5401
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0533
_Distance_constraint_stats_list.Viol_average_violations_only 1.1387
_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 4 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.002 0.002 17 0 "[ . 1 . 2]"
1 9 LYS 0.002 0.002 17 0 "[ . 1 . 2]"
1 10 ARG 0.007 0.006 19 0 "[ . 1 . 2]"
1 11 THR 0.007 0.006 19 0 "[ . 1 . 2]"
1 12 ALA 0.026 0.019 19 0 "[ . 1 . 2]"
1 13 ASP 0.026 0.019 19 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 219.962 8.238 5 20 [****+*************-*]
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 VAL 104.490 7.080 10 20 [*********+**-*******]
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LYS 0.009 0.009 4 0 "[ . 1 . 2]"
1 28 VAL 0.004 0.004 7 0 "[ . 1 . 2]"
1 29 LEU 0.060 0.038 5 0 "[ . 1 . 2]"
1 30 ASP 0.077 0.019 3 0 "[ . 1 . 2]"
1 31 ARG 0.016 0.008 5 0 "[ . 1 . 2]"
1 32 ARG 0.352 0.044 18 0 "[ . 1 . 2]"
1 33 MET 0.535 0.049 1 0 "[ . 1 . 2]"
1 34 VAL 0.097 0.049 1 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.006 0.005 10 0 "[ . 1 . 2]"
1 37 GLN 0.097 0.043 13 0 "[ . 1 . 2]"
1 38 VAL 0.458 0.048 19 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 TYR 0.311 0.045 5 0 "[ . 1 . 2]"
1 41 LEU 1.474 0.096 1 0 "[ . 1 . 2]"
1 42 LEU 1.774 0.098 10 0 "[ . 1 . 2]"
1 43 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 TRP 0.048 0.048 14 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 PHE 0.058 0.020 2 0 "[ . 1 . 2]"
1 48 SER 0.058 0.020 2 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLU 1.278 0.105 1 0 "[ . 1 . 2]"
1 51 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 2.228 0.105 1 0 "[ . 1 . 2]"
1 53 THR 1.322 0.098 10 0 "[ . 1 . 2]"
1 54 TRP 0.203 0.044 8 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 10 0 "[ . 1 . 2]"
1 56 PRO 0.001 0.001 4 0 "[ . 1 . 2]"
1 57 GLU 1.043 0.092 12 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 1.106 0.092 12 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.019 0.019 11 0 "[ . 1 . 2]"
1 65 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ILE 0.066 0.047 9 0 "[ . 1 . 2]"
1 67 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.047 0.047 9 0 "[ . 1 . 2]"
1 69 PHE 0.090 0.023 5 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 6 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.273 0.039 17 0 "[ . 1 . 2]"
1 73 TYR 0.276 0.039 17 0 "[ . 1 . 2]"
1 74 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 MET 0.007 0.007 20 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.026 0.020 18 0 "[ . 1 . 2]"
1 79 GLY 0.026 0.020 18 0 "[ . 1 . 2]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 THR 324.395 8.238 5 20 [****+*************-*]
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 4 MET HA 1 4 MET HG3 . . 4.000 3.003 2.285 3.845 . 0 0 "[ . 1 . 2]" 1
2 1 5 GLY H 1 6 LYS H . . 4.640 3.232 2.397 4.132 . 0 0 "[ . 1 . 2]" 1
3 1 5 GLY QA 1 6 LYS H . . 2.870 2.351 2.112 2.579 . 0 0 "[ . 1 . 2]" 1
4 1 6 LYS HA 1 7 LYS H . . 3.260 2.214 2.140 2.324 . 0 0 "[ . 1 . 2]" 1
5 1 7 LYS HA 1 8 THR H . . 3.340 2.185 2.138 2.278 . 0 0 "[ . 1 . 2]" 1
6 1 8 THR H 1 8 THR MG . . 4.080 3.291 1.980 4.039 . 0 0 "[ . 1 . 2]" 1
7 1 8 THR HA 1 8 THR MG . . 3.220 2.455 2.188 3.207 . 0 0 "[ . 1 . 2]" 1
8 1 8 THR MG 1 9 LYS H . . 3.620 3.046 2.200 3.622 0.002 17 0 "[ . 1 . 2]" 1
9 1 9 LYS H 1 9 LYS HB3 . . 3.770 3.368 2.753 3.747 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS H 1 10 ARG H . . 4.920 4.225 3.738 4.514 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS HA 1 10 ARG H . . 3.030 2.164 2.140 2.272 . 0 0 "[ . 1 . 2]" 1
12 1 10 ARG H 1 11 THR H . . 4.510 4.288 3.923 4.516 0.006 19 0 "[ . 1 . 2]" 1
13 1 10 ARG HA 1 11 THR H . . 3.070 2.219 2.141 2.310 . 0 0 "[ . 1 . 2]" 1
14 1 11 THR H 1 11 THR MG . . 3.970 3.189 1.928 3.967 . 0 0 "[ . 1 . 2]" 1
15 1 11 THR HA 1 11 THR MG . . 3.430 2.499 2.200 3.207 . 0 0 "[ . 1 . 2]" 1
16 1 12 ALA H 1 12 ALA MB . . 2.820 2.480 2.208 2.811 . 0 0 "[ . 1 . 2]" 1
17 1 12 ALA H 1 13 ASP H . . 4.310 4.219 3.821 4.329 0.019 19 0 "[ . 1 . 2]" 1
18 1 12 ALA HA 1 13 ASP H . . 2.800 2.160 2.140 2.246 . 0 0 "[ . 1 . 2]" 1
19 1 12 ALA MB 1 13 ASP H . . 3.430 3.244 2.743 3.420 . 0 0 "[ . 1 . 2]" 1
20 1 18 GLU HA 1 19 ASP H . . 2.670 2.265 2.179 2.434 . 0 0 "[ . 1 . 2]" 1
21 1 19 ASP HA 1 20 GLU H . . 2.790 2.250 2.141 2.459 . 0 0 "[ . 1 . 2]" 1
22 1 22 GLU HG3 2 11 THR HB . . 5.110 10.985 9.048 13.348 8.238 5 20 [****+-**************] 1
23 1 22 GLU HG3 2 11 THR MG . . 3.810 8.933 6.864 11.077 7.267 4 20 [***+**************-*] 1
24 1 23 TYR QE 1 47 PHE QD . . 4.170 2.512 2.189 3.078 . 0 0 "[ . 1 . 2]" 1
25 1 25 VAL H 1 25 VAL QG . . 4.080 2.122 1.920 2.389 . 0 0 "[ . 1 . 2]" 1
26 1 25 VAL HA 1 43 LYS H . . 5.190 4.265 3.764 4.523 . 0 0 "[ . 1 . 2]" 1
27 1 25 VAL HB 1 26 GLU H . . 5.500 3.953 3.755 4.149 . 0 0 "[ . 1 . 2]" 1
28 1 25 VAL QG 1 27 LYS H . . 3.830 2.644 2.544 2.772 . 0 0 "[ . 1 . 2]" 1
29 1 25 VAL QG 1 27 LYS HA . . 4.290 3.178 3.080 3.234 . 0 0 "[ . 1 . 2]" 1
30 1 25 VAL QG 1 44 TRP HA . . 4.550 3.678 3.193 4.311 . 0 0 "[ . 1 . 2]" 1
31 1 25 VAL QG 2 11 THR MG . . 4.340 9.562 8.310 11.420 7.080 10 20 [*********+**-*******] 1
32 1 25 VAL MG1 1 26 GLU H . . 4.610 2.947 2.087 3.859 . 0 0 "[ . 1 . 2]" 1
33 1 25 VAL MG1 1 27 LYS H . . 5.210 3.563 2.597 4.628 . 0 0 "[ . 1 . 2]" 1
34 1 25 VAL MG1 1 44 TRP HA . . 5.430 4.710 3.939 5.478 0.048 14 0 "[ . 1 . 2]" 1
35 1 25 VAL MG2 1 26 GLU H . . 4.610 3.057 2.097 4.004 . 0 0 "[ . 1 . 2]" 1
36 1 25 VAL MG2 1 27 LYS H . . 5.210 3.920 2.562 5.219 0.009 4 0 "[ . 1 . 2]" 1
37 1 25 VAL MG2 1 44 TRP HA . . 5.430 3.849 3.352 4.510 . 0 0 "[ . 1 . 2]" 1
38 1 26 GLU H 1 27 LYS H . . 4.610 2.410 2.306 2.603 . 0 0 "[ . 1 . 2]" 1
39 1 27 LYS H 1 28 VAL H . . 4.580 4.330 4.305 4.339 . 0 0 "[ . 1 . 2]" 1
40 1 27 LYS H 1 29 LEU QD . . 5.440 3.847 3.175 4.754 . 0 0 "[ . 1 . 2]" 1
41 1 27 LYS H 1 65 LEU QD . . 5.420 4.527 4.177 4.874 . 0 0 "[ . 1 . 2]" 1
42 1 27 LYS HA 1 28 VAL H . . 3.180 2.412 2.364 2.429 . 0 0 "[ . 1 . 2]" 1
43 1 28 VAL H 1 28 VAL HB . . 3.710 2.562 2.520 2.654 . 0 0 "[ . 1 . 2]" 1
44 1 28 VAL H 1 28 VAL MG1 . . 3.940 3.324 1.921 3.781 . 0 0 "[ . 1 . 2]" 1
45 1 28 VAL H 1 28 VAL QG . . 3.230 2.040 1.916 2.147 . 0 0 "[ . 1 . 2]" 1
46 1 28 VAL H 1 28 VAL MG2 . . 3.940 2.496 2.020 3.783 . 0 0 "[ . 1 . 2]" 1
47 1 28 VAL H 1 65 LEU MD1 . . 5.040 2.174 1.906 2.637 . 0 0 "[ . 1 . 2]" 1
48 1 28 VAL H 1 65 LEU QD . . 3.700 2.169 1.904 2.621 . 0 0 "[ . 1 . 2]" 1
49 1 28 VAL H 1 65 LEU MD2 . . 5.040 4.605 4.343 4.764 . 0 0 "[ . 1 . 2]" 1
50 1 28 VAL HA 1 30 ASP H . . 4.310 4.222 4.057 4.303 . 0 0 "[ . 1 . 2]" 1
51 1 28 VAL HA 1 42 LEU MD2 . . 4.470 2.768 2.046 3.172 . 0 0 "[ . 1 . 2]" 1
52 1 28 VAL HB 1 29 LEU H . . 4.390 4.025 3.865 4.325 . 0 0 "[ . 1 . 2]" 1
53 1 28 VAL QG 1 29 LEU H . . 3.620 2.336 2.126 2.842 . 0 0 "[ . 1 . 2]" 1
54 1 28 VAL QG 1 29 LEU HA . . 4.390 3.637 3.370 3.951 . 0 0 "[ . 1 . 2]" 1
55 1 28 VAL QG 1 30 ASP H . . 3.700 2.878 2.764 3.034 . 0 0 "[ . 1 . 2]" 1
56 1 28 VAL QG 1 40 TYR QD . . 3.930 2.207 1.911 2.446 . 0 0 "[ . 1 . 2]" 1
57 1 28 VAL QG 1 41 LEU H . . 4.120 3.193 2.821 3.634 . 0 0 "[ . 1 . 2]" 1
58 1 28 VAL QG 1 65 LEU HB3 . . 3.710 2.029 1.860 2.626 . 0 0 "[ . 1 . 2]" 1
59 1 28 VAL QG 1 65 LEU QD . . 4.550 2.523 1.967 3.083 . 0 0 "[ . 1 . 2]" 1
60 1 28 VAL QG 1 66 ILE HA . . 4.130 3.030 2.484 3.374 . 0 0 "[ . 1 . 2]" 1
61 1 28 VAL MG1 1 29 LEU H . . 4.150 2.721 2.136 4.000 . 0 0 "[ . 1 . 2]" 1
62 1 28 VAL MG1 1 30 ASP H . . 5.230 3.378 2.777 4.999 . 0 0 "[ . 1 . 2]" 1
63 1 28 VAL MG1 1 66 ILE HA . . 5.020 3.673 2.569 4.137 . 0 0 "[ . 1 . 2]" 1
64 1 28 VAL MG2 1 29 LEU H . . 4.150 3.560 2.139 4.123 . 0 0 "[ . 1 . 2]" 1
65 1 28 VAL MG2 1 30 ASP H . . 5.230 4.608 2.879 5.234 0.004 7 0 "[ . 1 . 2]" 1
66 1 28 VAL MG2 1 66 ILE HA . . 5.020 3.357 2.831 3.724 . 0 0 "[ . 1 . 2]" 1
67 1 29 LEU H 1 29 LEU MD1 . . 4.670 3.035 2.572 3.952 . 0 0 "[ . 1 . 2]" 1
68 1 29 LEU H 1 29 LEU QD . . 4.050 2.889 2.552 3.617 . 0 0 "[ . 1 . 2]" 1
69 1 29 LEU H 1 29 LEU MD2 . . 4.670 4.178 3.744 4.449 . 0 0 "[ . 1 . 2]" 1
70 1 29 LEU H 1 30 ASP H . . 3.890 2.224 2.113 2.461 . 0 0 "[ . 1 . 2]" 1
71 1 29 LEU H 1 41 LEU H . . 4.650 3.825 3.627 4.117 . 0 0 "[ . 1 . 2]" 1
72 1 29 LEU H 1 41 LEU HB3 . . 3.560 2.644 2.305 3.019 . 0 0 "[ . 1 . 2]" 1
73 1 29 LEU H 1 41 LEU MD1 . . 4.320 3.731 3.366 3.924 . 0 0 "[ . 1 . 2]" 1
74 1 29 LEU H 1 42 LEU MD2 . . 4.730 4.191 3.440 4.713 . 0 0 "[ . 1 . 2]" 1
75 1 29 LEU HA 1 29 LEU MD1 . . 4.120 3.095 2.438 3.919 . 0 0 "[ . 1 . 2]" 1
76 1 29 LEU HA 1 29 LEU QD . . 3.110 2.498 1.975 2.817 . 0 0 "[ . 1 . 2]" 1
77 1 29 LEU HA 1 29 LEU MD2 . . 4.120 3.219 1.981 3.771 . 0 0 "[ . 1 . 2]" 1
78 1 29 LEU QD 1 30 ASP H . . 4.870 3.840 3.632 4.062 . 0 0 "[ . 1 . 2]" 1
79 1 29 LEU QD 1 41 LEU MD1 . . 3.730 1.998 1.855 2.209 . 0 0 "[ . 1 . 2]" 1
80 1 29 LEU QD 1 41 LEU MD2 . . 4.470 3.930 3.673 4.112 . 0 0 "[ . 1 . 2]" 1
81 1 29 LEU QD 1 43 LYS H . . 4.370 3.119 2.429 4.029 . 0 0 "[ . 1 . 2]" 1
82 1 29 LEU QD 1 52 ASN H . . 5.440 5.078 4.817 5.478 0.038 5 0 "[ . 1 . 2]" 1
83 1 29 LEU MD1 1 43 LYS H . . 5.500 3.181 2.458 4.244 . 0 0 "[ . 1 . 2]" 1
84 1 29 LEU MD2 1 43 LYS H . . 5.500 4.778 3.794 5.405 . 0 0 "[ . 1 . 2]" 1
85 1 29 LEU HG 1 41 LEU MD1 . . 4.430 3.935 2.797 4.443 0.013 7 0 "[ . 1 . 2]" 1
86 1 30 ASP H 1 31 ARG H . . 4.450 4.401 4.379 4.414 . 0 0 "[ . 1 . 2]" 1
87 1 30 ASP H 1 31 ARG HA . . 5.020 4.709 4.646 4.745 . 0 0 "[ . 1 . 2]" 1
88 1 30 ASP H 1 40 TYR HA . . 5.450 4.844 4.563 5.212 . 0 0 "[ . 1 . 2]" 1
89 1 30 ASP H 1 40 TYR QD . . 5.500 5.324 4.977 5.519 0.019 3 0 "[ . 1 . 2]" 1
90 1 30 ASP H 1 41 LEU H . . 4.100 2.948 2.746 3.238 . 0 0 "[ . 1 . 2]" 1
91 1 30 ASP H 1 41 LEU HB3 . . 3.510 1.955 1.915 2.048 . 0 0 "[ . 1 . 2]" 1
92 1 30 ASP H 1 41 LEU MD1 . . 4.050 3.950 3.860 4.050 . 0 0 "[ . 1 . 2]" 1
93 1 30 ASP H 1 41 LEU MD2 . . 4.800 4.470 4.289 4.629 . 0 0 "[ . 1 . 2]" 1
94 1 30 ASP HA 1 31 ARG H . . 3.420 2.461 2.365 2.505 . 0 0 "[ . 1 . 2]" 1
95 1 30 ASP HA 1 69 PHE QE . . 4.630 3.233 2.960 3.399 . 0 0 "[ . 1 . 2]" 1
96 1 31 ARG H 1 41 LEU H . . 5.500 4.900 4.666 5.125 . 0 0 "[ . 1 . 2]" 1
97 1 31 ARG H 1 69 PHE QE . . 4.180 3.896 3.465 4.188 0.008 5 0 "[ . 1 . 2]" 1
98 1 31 ARG HA 1 31 ARG HD3 . . 5.500 4.528 4.258 4.840 . 0 0 "[ . 1 . 2]" 1
99 1 31 ARG HA 1 32 ARG H . . 3.540 2.228 2.155 2.268 . 0 0 "[ . 1 . 2]" 1
100 1 31 ARG HA 1 54 TRP HZ3 . . 5.500 1.982 1.967 1.996 . 0 0 "[ . 1 . 2]" 1
101 1 31 ARG HG3 1 32 ARG H . . 4.060 3.065 2.736 3.337 . 0 0 "[ . 1 . 2]" 1
102 1 32 ARG H 1 32 ARG HE . . 5.500 5.357 4.915 5.544 0.044 18 0 "[ . 1 . 2]" 1
103 1 32 ARG H 1 33 MET H . . 4.450 4.363 4.275 4.425 . 0 0 "[ . 1 . 2]" 1
104 1 32 ARG H 1 38 VAL HA . . 5.330 4.863 4.594 5.176 . 0 0 "[ . 1 . 2]" 1
105 1 32 ARG H 1 38 VAL QG . . 4.070 3.623 3.312 4.068 . 0 0 "[ . 1 . 2]" 1
106 1 32 ARG H 1 39 GLU H . . 4.130 3.329 3.051 3.729 . 0 0 "[ . 1 . 2]" 1
107 1 32 ARG H 1 41 LEU H . . 5.010 4.907 4.543 5.036 0.026 15 0 "[ . 1 . 2]" 1
108 1 32 ARG H 1 54 TRP HH2 . . 4.120 3.567 3.354 3.821 . 0 0 "[ . 1 . 2]" 1
109 1 32 ARG H 1 54 TRP HZ3 . . 4.280 2.098 1.964 2.749 . 0 0 "[ . 1 . 2]" 1
110 1 32 ARG HB3 1 33 MET H . . 4.180 3.086 2.317 3.816 . 0 0 "[ . 1 . 2]" 1
111 1 32 ARG HE 1 33 MET H . . 4.830 3.258 1.925 4.710 . 0 0 "[ . 1 . 2]" 1
112 1 32 ARG HE 1 33 MET HA . . 5.500 5.189 4.855 5.496 . 0 0 "[ . 1 . 2]" 1
113 1 32 ARG HE 1 34 VAL QG . . 4.610 3.275 1.985 4.632 0.022 19 0 "[ . 1 . 2]" 1
114 1 33 MET H 1 34 VAL H . . 4.400 4.306 4.176 4.449 0.049 1 0 "[ . 1 . 2]" 1
115 1 33 MET H 1 34 VAL QG . . 3.740 3.439 3.178 3.731 . 0 0 "[ . 1 . 2]" 1
116 1 33 MET HA 1 33 MET ME . . 4.520 4.350 4.195 4.467 . 0 0 "[ . 1 . 2]" 1
117 1 33 MET HA 1 34 VAL H . . 2.990 2.170 2.143 2.206 . 0 0 "[ . 1 . 2]" 1
118 1 33 MET HA 1 34 VAL QG . . 4.350 3.243 3.180 3.293 . 0 0 "[ . 1 . 2]" 1
119 1 33 MET HA 1 37 GLN H . . 4.590 4.393 4.293 4.504 . 0 0 "[ . 1 . 2]" 1
120 1 33 MET HA 1 38 VAL HA . . 4.130 2.239 2.077 2.715 . 0 0 "[ . 1 . 2]" 1
121 1 33 MET HA 1 38 VAL MG1 . . 4.890 4.593 3.868 4.938 0.048 19 0 "[ . 1 . 2]" 1
122 1 33 MET HA 1 38 VAL QG . . 3.970 3.505 3.352 3.832 . 0 0 "[ . 1 . 2]" 1
123 1 33 MET HA 1 38 VAL MG2 . . 4.890 3.731 3.418 4.460 . 0 0 "[ . 1 . 2]" 1
124 1 33 MET HA 1 39 GLU H . . 3.690 2.804 2.414 3.205 . 0 0 "[ . 1 . 2]" 1
125 1 33 MET ME 1 36 GLY QA . . 3.540 3.100 2.266 3.545 0.005 10 0 "[ . 1 . 2]" 1
126 1 33 MET ME 1 38 VAL MG1 . . 4.250 3.391 2.902 4.134 . 0 0 "[ . 1 . 2]" 1
127 1 33 MET ME 1 38 VAL QG . . 3.120 2.551 1.990 2.851 . 0 0 "[ . 1 . 2]" 1
128 1 33 MET ME 1 38 VAL MG2 . . 4.250 2.898 1.995 3.535 . 0 0 "[ . 1 . 2]" 1
129 1 34 VAL H 1 34 VAL MG1 . . 3.630 3.153 3.054 3.195 . 0 0 "[ . 1 . 2]" 1
130 1 34 VAL H 1 34 VAL QG . . 3.040 2.221 2.061 2.296 . 0 0 "[ . 1 . 2]" 1
131 1 34 VAL H 1 34 VAL MG2 . . 3.630 2.270 2.095 2.353 . 0 0 "[ . 1 . 2]" 1
132 1 34 VAL H 1 37 GLN H . . 3.480 2.916 2.850 3.091 . 0 0 "[ . 1 . 2]" 1
133 1 34 VAL H 1 38 VAL HA . . 4.070 3.628 3.487 4.055 . 0 0 "[ . 1 . 2]" 1
134 1 34 VAL HA 1 34 VAL MG1 . . 3.340 2.292 2.235 2.350 . 0 0 "[ . 1 . 2]" 1
135 1 34 VAL HA 1 34 VAL MG2 . . 3.340 3.201 3.198 3.202 . 0 0 "[ . 1 . 2]" 1
136 1 34 VAL HB 1 35 LYS H . . 4.210 3.025 2.995 3.037 . 0 0 "[ . 1 . 2]" 1
137 1 34 VAL QG 1 35 LYS H . . 4.060 3.431 3.420 3.438 . 0 0 "[ . 1 . 2]" 1
138 1 34 VAL QG 1 36 GLY H . . 5.100 4.716 4.679 4.787 . 0 0 "[ . 1 . 2]" 1
139 1 34 VAL QG 1 37 GLN H . . 4.400 3.869 3.808 3.957 . 0 0 "[ . 1 . 2]" 1
140 1 35 LYS H 1 36 GLY H . . 4.600 2.804 2.771 2.822 . 0 0 "[ . 1 . 2]" 1
141 1 35 LYS HA 1 36 GLY H . . 3.440 2.729 2.707 2.760 . 0 0 "[ . 1 . 2]" 1
142 1 35 LYS HA 1 37 GLN H . . 4.440 4.381 4.214 4.428 . 0 0 "[ . 1 . 2]" 1
143 1 35 LYS HB3 1 36 GLY H . . 4.610 4.417 4.400 4.434 . 0 0 "[ . 1 . 2]" 1
144 1 36 GLY H 1 37 GLN H . . 3.340 2.709 2.700 2.719 . 0 0 "[ . 1 . 2]" 1
145 1 36 GLY QA 1 37 GLN H . . 3.000 2.827 2.818 2.874 . 0 0 "[ . 1 . 2]" 1
146 1 36 GLY HA2 1 37 GLN H . . 3.500 2.993 2.977 3.086 . 0 0 "[ . 1 . 2]" 1
147 1 36 GLY HA3 1 37 GLN H . . 3.500 3.477 3.427 3.485 . 0 0 "[ . 1 . 2]" 1
148 1 37 GLN H 1 37 GLN HB3 . . 3.020 2.971 2.824 3.043 0.023 13 0 "[ . 1 . 2]" 1
149 1 37 GLN H 1 38 VAL H . . 4.600 4.275 4.237 4.371 . 0 0 "[ . 1 . 2]" 1
150 1 37 GLN HA 1 37 GLN QE . . 4.140 3.428 1.997 4.183 0.043 13 0 "[ . 1 . 2]" 1
151 1 37 GLN HA 1 38 VAL H . . 2.980 2.152 2.147 2.193 . 0 0 "[ . 1 . 2]" 1
152 1 38 VAL H 1 38 VAL HB . . 3.110 2.702 2.570 2.892 . 0 0 "[ . 1 . 2]" 1
153 1 38 VAL H 1 38 VAL QG . . 2.930 1.996 1.911 2.194 . 0 0 "[ . 1 . 2]" 1
154 1 38 VAL QG 1 39 GLU H . . 3.350 2.573 2.355 2.910 . 0 0 "[ . 1 . 2]" 1
155 1 38 VAL MG1 1 39 GLU H . . 4.270 3.482 2.371 3.953 . 0 0 "[ . 1 . 2]" 1
156 1 38 VAL MG2 1 39 GLU H . . 4.270 3.106 2.451 4.206 . 0 0 "[ . 1 . 2]" 1
157 1 39 GLU HA 1 56 PRO HA . . 4.890 3.106 2.649 3.372 . 0 0 "[ . 1 . 2]" 1
158 1 40 TYR H 1 41 LEU H . . 4.760 4.395 4.349 4.461 . 0 0 "[ . 1 . 2]" 1
159 1 40 TYR HA 1 40 TYR QE . . 5.500 4.668 4.571 4.708 . 0 0 "[ . 1 . 2]" 1
160 1 40 TYR HA 1 42 LEU MD2 . . 5.500 5.184 4.971 5.482 . 0 0 "[ . 1 . 2]" 1
161 1 40 TYR HB3 1 42 LEU MD2 . . 4.800 3.257 2.961 3.616 . 0 0 "[ . 1 . 2]" 1
162 1 40 TYR QD 1 41 LEU H . . 4.430 4.085 3.746 4.321 . 0 0 "[ . 1 . 2]" 1
163 1 40 TYR QD 1 42 LEU MD1 . . 5.200 5.141 4.936 5.245 0.045 5 0 "[ . 1 . 2]" 1
164 1 40 TYR QD 1 42 LEU MD2 . . 4.820 4.460 4.145 4.742 . 0 0 "[ . 1 . 2]" 1
165 1 40 TYR QE 1 66 ILE MD . . 4.180 3.841 2.915 4.086 . 0 0 "[ . 1 . 2]" 1
166 1 40 TYR QE 1 66 ILE MG . . 4.370 2.673 1.972 3.112 . 0 0 "[ . 1 . 2]" 1
167 1 40 TYR QE 1 69 PHE QD . . 4.700 4.653 4.378 4.723 0.023 5 0 "[ . 1 . 2]" 1
168 1 41 LEU H 1 41 LEU HB3 . . 3.940 2.804 2.774 2.829 . 0 0 "[ . 1 . 2]" 1
169 1 41 LEU H 1 41 LEU MD1 . . 4.370 4.220 4.214 4.226 . 0 0 "[ . 1 . 2]" 1
170 1 41 LEU H 1 41 LEU MD2 . . 4.240 3.778 3.735 3.821 . 0 0 "[ . 1 . 2]" 1
171 1 41 LEU H 1 42 LEU H . . 4.610 4.356 4.311 4.425 . 0 0 "[ . 1 . 2]" 1
172 1 41 LEU H 1 54 TRP HH2 . . 4.400 4.242 3.760 4.421 0.021 3 0 "[ . 1 . 2]" 1
173 1 41 LEU H 1 55 GLU H . . 5.500 4.972 4.712 5.141 . 0 0 "[ . 1 . 2]" 1
174 1 41 LEU HA 1 41 LEU MD2 . . 4.020 1.963 1.946 1.980 . 0 0 "[ . 1 . 2]" 1
175 1 41 LEU HA 1 54 TRP HA . . 5.500 2.429 2.282 2.527 . 0 0 "[ . 1 . 2]" 1
176 1 41 LEU HA 1 55 GLU H . . 4.180 3.847 3.661 3.982 . 0 0 "[ . 1 . 2]" 1
177 1 41 LEU HB3 1 42 LEU H . . 4.270 4.167 4.086 4.212 . 0 0 "[ . 1 . 2]" 1
178 1 41 LEU MD1 1 42 LEU H . . 3.730 2.428 2.243 2.569 . 0 0 "[ . 1 . 2]" 1
179 1 41 LEU MD1 1 52 ASN H . . 4.850 4.000 3.874 4.173 . 0 0 "[ . 1 . 2]" 1
180 1 41 LEU MD1 1 52 ASN QD . . 4.380 3.900 3.679 4.052 . 0 0 "[ . 1 . 2]" 1
181 1 41 LEU MD2 1 42 LEU H . . 3.570 3.506 3.406 3.574 0.004 13 0 "[ . 1 . 2]" 1
182 1 41 LEU MD2 1 42 LEU HG . . 5.500 5.494 5.381 5.565 0.065 5 0 "[ . 1 . 2]" 1
183 1 41 LEU MD2 1 52 ASN H . . 4.710 4.157 4.085 4.280 . 0 0 "[ . 1 . 2]" 1
184 1 41 LEU MD2 1 52 ASN HA . . 4.300 2.230 2.167 2.337 . 0 0 "[ . 1 . 2]" 1
185 1 41 LEU MD2 1 52 ASN HB3 . . 3.960 3.043 2.914 3.167 . 0 0 "[ . 1 . 2]" 1
186 1 41 LEU MD2 1 52 ASN HD21 . . 4.910 3.015 2.594 3.240 . 0 0 "[ . 1 . 2]" 1
187 1 41 LEU MD2 1 52 ASN QD . . 4.050 2.970 2.564 3.185 . 0 0 "[ . 1 . 2]" 1
188 1 41 LEU MD2 1 52 ASN HD22 . . 4.910 4.466 4.035 4.697 . 0 0 "[ . 1 . 2]" 1
189 1 41 LEU MD2 1 53 THR H . . 4.280 2.576 2.471 2.688 . 0 0 "[ . 1 . 2]" 1
190 1 41 LEU MD2 1 53 THR HA . . 4.530 3.704 3.593 3.757 . 0 0 "[ . 1 . 2]" 1
191 1 41 LEU MD2 1 53 THR HB . . 4.680 4.622 4.530 4.670 . 0 0 "[ . 1 . 2]" 1
192 1 41 LEU MD2 1 54 TRP H . . 4.040 3.821 3.687 3.909 . 0 0 "[ . 1 . 2]" 1
193 1 41 LEU MD2 1 54 TRP HA . . 4.810 2.761 2.550 2.864 . 0 0 "[ . 1 . 2]" 1
194 1 41 LEU MD2 1 54 TRP HD1 . . 4.290 3.071 2.988 3.222 . 0 0 "[ . 1 . 2]" 1
195 1 41 LEU MD2 1 54 TRP HE1 . . 3.230 2.484 2.384 2.635 . 0 0 "[ . 1 . 2]" 1
196 1 41 LEU MD2 1 55 GLU H . . 4.750 4.638 4.449 4.750 0.000 10 0 "[ . 1 . 2]" 1
197 1 41 LEU HG 1 52 ASN H . . 5.500 5.542 5.509 5.596 0.096 1 0 "[ . 1 . 2]" 1
198 1 41 LEU HG 1 52 ASN QD . . 3.650 3.583 3.335 3.663 0.013 3 0 "[ . 1 . 2]" 1
199 1 41 LEU HG 1 54 TRP HE1 . . 4.890 4.823 4.723 4.934 0.044 8 0 "[ . 1 . 2]" 1
200 1 42 LEU H 1 42 LEU MD1 . . 4.200 3.800 3.702 3.884 . 0 0 "[ . 1 . 2]" 1
201 1 42 LEU H 1 42 LEU MD2 . . 4.790 3.770 3.644 3.887 . 0 0 "[ . 1 . 2]" 1
202 1 42 LEU H 1 42 LEU HG . . 3.940 2.749 2.647 2.883 . 0 0 "[ . 1 . 2]" 1
203 1 42 LEU H 1 53 THR HA . . 5.500 5.566 5.547 5.598 0.098 10 0 "[ . 1 . 2]" 1
204 1 42 LEU H 1 54 TRP HA . . 4.490 3.113 3.013 3.189 . 0 0 "[ . 1 . 2]" 1
205 1 42 LEU H 1 55 GLU H . . 4.540 3.969 3.814 4.188 . 0 0 "[ . 1 . 2]" 1
206 1 42 LEU HA 1 42 LEU MD2 . . 3.920 2.107 1.991 2.294 . 0 0 "[ . 1 . 2]" 1
207 1 42 LEU MD1 1 44 TRP HZ2 . . 4.640 3.087 2.724 3.593 . 0 0 "[ . 1 . 2]" 1
208 1 42 LEU MD1 1 60 LEU HA . . 5.460 3.125 2.786 3.636 . 0 0 "[ . 1 . 2]" 1
209 1 42 LEU MD1 1 60 LEU MD1 . . 4.770 1.954 1.860 2.203 . 0 0 "[ . 1 . 2]" 1
210 1 42 LEU MD1 1 60 LEU QD . . 3.860 1.732 1.678 1.849 . 0 0 "[ . 1 . 2]" 1
211 1 42 LEU MD1 1 60 LEU MD2 . . 4.770 1.950 1.879 2.139 . 0 0 "[ . 1 . 2]" 1
212 1 42 LEU MD1 1 60 LEU HG . . 4.030 3.844 3.641 4.042 0.012 14 0 "[ . 1 . 2]" 1
213 1 42 LEU MD2 1 43 LYS H . . 3.940 3.598 3.348 3.780 . 0 0 "[ . 1 . 2]" 1
214 1 42 LEU MD2 1 60 LEU MD1 . . 3.660 1.917 1.846 2.119 . 0 0 "[ . 1 . 2]" 1
215 1 42 LEU MD2 1 60 LEU QD . . 3.160 1.903 1.834 2.092 . 0 0 "[ . 1 . 2]" 1
216 1 42 LEU MD2 1 60 LEU MD2 . . 3.660 3.233 3.008 3.518 . 0 0 "[ . 1 . 2]" 1
217 1 42 LEU MD2 1 60 LEU HG . . 4.280 4.085 3.895 4.293 0.013 8 0 "[ . 1 . 2]" 1
218 1 46 GLY H 1 47 PHE H . . 4.240 2.825 2.536 2.943 . 0 0 "[ . 1 . 2]" 1
219 1 47 PHE HA 1 47 PHE QE . . 4.550 4.484 4.399 4.520 . 0 0 "[ . 1 . 2]" 1
220 1 47 PHE QE 1 48 SER H . . 5.500 5.432 5.294 5.520 0.020 2 0 "[ . 1 . 2]" 1
221 1 47 PHE QE 1 51 HIS HD2 . . 4.170 4.030 3.726 4.169 . 0 0 "[ . 1 . 2]" 1
222 1 48 SER H 1 51 HIS HD2 . . 4.440 2.451 1.941 2.869 . 0 0 "[ . 1 . 2]" 1
223 1 48 SER HB3 1 50 GLU H . . 3.710 2.784 2.460 3.100 . 0 0 "[ . 1 . 2]" 1
224 1 49 GLU H 1 50 GLU H . . 4.000 2.699 2.669 2.749 . 0 0 "[ . 1 . 2]" 1
225 1 49 GLU HA 1 52 ASN HD21 . . 4.980 4.293 4.075 4.438 . 0 0 "[ . 1 . 2]" 1
226 1 49 GLU HA 1 52 ASN QD . . 4.370 3.991 3.754 4.135 . 0 0 "[ . 1 . 2]" 1
227 1 49 GLU HA 1 52 ASN HD22 . . 4.980 4.749 4.296 4.937 . 0 0 "[ . 1 . 2]" 1
228 1 50 GLU H 1 51 HIS H . . 3.780 2.786 2.753 2.812 . 0 0 "[ . 1 . 2]" 1
229 1 50 GLU H 1 52 ASN H . . 3.880 3.944 3.912 3.985 0.105 1 0 "[ . 1 . 2]" 1
230 1 50 GLU HA 1 50 GLU HG3 . . 4.030 3.372 2.876 3.825 . 0 0 "[ . 1 . 2]" 1
231 1 50 GLU HA 1 52 ASN H . . 4.880 3.994 3.949 4.200 . 0 0 "[ . 1 . 2]" 1
232 1 51 HIS H 1 52 ASN H . . 3.700 2.466 2.285 2.487 . 0 0 "[ . 1 . 2]" 1
233 1 52 ASN H 1 52 ASN HB3 . . 4.200 4.016 3.993 4.037 . 0 0 "[ . 1 . 2]" 1
234 1 52 ASN H 1 52 ASN QD . . 4.360 3.505 3.390 3.798 . 0 0 "[ . 1 . 2]" 1
235 1 52 ASN H 1 53 THR H . . 4.460 3.115 3.085 3.176 . 0 0 "[ . 1 . 2]" 1
236 1 53 THR H 1 53 THR MG . . 4.220 2.686 2.584 2.827 . 0 0 "[ . 1 . 2]" 1
237 1 53 THR H 1 54 TRP H . . 4.590 4.507 4.498 4.513 . 0 0 "[ . 1 . 2]" 1
238 1 53 THR HA 1 53 THR MG . . 3.300 2.311 2.153 2.350 . 0 0 "[ . 1 . 2]" 1
239 1 53 THR HA 1 54 TRP H . . 3.440 2.163 2.159 2.167 . 0 0 "[ . 1 . 2]" 1
240 1 53 THR HA 1 54 TRP HD1 . . 5.440 3.563 3.310 3.961 . 0 0 "[ . 1 . 2]" 1
241 1 53 THR HB 1 54 TRP H . . 3.360 3.192 3.160 3.225 . 0 0 "[ . 1 . 2]" 1
242 1 53 THR MG 1 54 TRP H . . 4.200 3.798 3.702 3.860 . 0 0 "[ . 1 . 2]" 1
243 1 54 TRP H 1 54 TRP HE1 . . 5.500 5.351 5.229 5.503 0.003 8 0 "[ . 1 . 2]" 1
244 1 55 GLU H 1 60 LEU MD1 . . 5.500 5.148 4.880 5.307 . 0 0 "[ . 1 . 2]" 1
245 1 55 GLU H 1 60 LEU QD . . 3.990 3.401 3.266 3.604 . 0 0 "[ . 1 . 2]" 1
246 1 55 GLU H 1 60 LEU MD2 . . 5.500 3.452 3.308 3.685 . 0 0 "[ . 1 . 2]" 1
247 1 56 PRO HA 1 60 LEU QD . . 3.790 3.685 3.480 3.791 0.001 4 0 "[ . 1 . 2]" 1
248 1 57 GLU HA 1 60 LEU MD1 . . 4.350 4.394 4.185 4.442 0.092 12 0 "[ . 1 . 2]" 1
249 1 57 GLU HA 1 60 LEU MD2 . . 4.350 2.733 2.167 2.892 . 0 0 "[ . 1 . 2]" 1
250 1 58 LYS H 1 58 LYS HB3 . . 3.920 2.676 2.516 2.829 . 0 0 "[ . 1 . 2]" 1
251 1 59 ASN H 1 60 LEU H . . 4.640 2.423 2.193 2.509 . 0 0 "[ . 1 . 2]" 1
252 1 60 LEU H 1 60 LEU QD . . 4.780 2.496 2.240 2.618 . 0 0 "[ . 1 . 2]" 1
253 1 60 LEU HA 1 60 LEU MD1 . . 4.080 2.070 1.974 2.146 . 0 0 "[ . 1 . 2]" 1
254 1 60 LEU HA 1 60 LEU QD . . 3.520 1.900 1.856 1.932 . 0 0 "[ . 1 . 2]" 1
255 1 60 LEU HA 1 60 LEU MD2 . . 4.080 2.221 2.133 2.363 . 0 0 "[ . 1 . 2]" 1
256 1 60 LEU HA 1 60 LEU HG . . 3.700 3.645 3.636 3.668 . 0 0 "[ . 1 . 2]" 1
257 1 60 LEU QD 1 63 PRO HA . . 5.340 4.923 4.217 5.359 0.019 11 0 "[ . 1 . 2]" 1
258 1 60 LEU QD 1 66 ILE MD . . 3.050 2.852 2.143 3.062 0.012 11 0 "[ . 1 . 2]" 1
259 1 61 ASP H 1 62 CYS H . . 4.330 3.183 2.957 3.312 . 0 0 "[ . 1 . 2]" 1
260 1 63 PRO HA 1 66 ILE H . . 4.380 3.455 3.378 3.545 . 0 0 "[ . 1 . 2]" 1
261 1 63 PRO HA 1 66 ILE HB . . 4.360 3.337 3.151 3.522 . 0 0 "[ . 1 . 2]" 1
262 1 63 PRO HA 1 66 ILE MD . . 3.820 2.039 1.906 3.667 . 0 0 "[ . 1 . 2]" 1
263 1 63 PRO HA 1 66 ILE MG . . 5.500 4.643 4.349 4.803 . 0 0 "[ . 1 . 2]" 1
264 1 65 LEU H 1 65 LEU MD1 . . 5.220 3.803 3.720 3.842 . 0 0 "[ . 1 . 2]" 1
265 1 65 LEU H 1 65 LEU QD . . 4.170 2.127 2.001 2.225 . 0 0 "[ . 1 . 2]" 1
266 1 65 LEU H 1 65 LEU MD2 . . 5.220 2.138 2.009 2.239 . 0 0 "[ . 1 . 2]" 1
267 1 65 LEU H 1 66 ILE H . . 4.460 2.777 2.691 2.815 . 0 0 "[ . 1 . 2]" 1
268 1 65 LEU H 1 66 ILE MD . . 4.600 3.523 3.426 4.055 . 0 0 "[ . 1 . 2]" 1
269 1 65 LEU HA 1 65 LEU MD1 . . 4.730 2.028 1.992 2.090 . 0 0 "[ . 1 . 2]" 1
270 1 65 LEU HA 1 65 LEU QD . . 3.350 1.950 1.922 2.000 . 0 0 "[ . 1 . 2]" 1
271 1 65 LEU HA 1 65 LEU MD2 . . 4.730 2.530 2.504 2.608 . 0 0 "[ . 1 . 2]" 1
272 1 65 LEU QD 1 66 ILE H . . 4.860 3.890 3.850 3.920 . 0 0 "[ . 1 . 2]" 1
273 1 65 LEU QD 1 66 ILE MD . . 4.890 3.895 3.799 4.059 . 0 0 "[ . 1 . 2]" 1
274 1 66 ILE H 1 66 ILE HB . . 4.210 2.467 2.433 2.748 . 0 0 "[ . 1 . 2]" 1
275 1 66 ILE H 1 66 ILE MD . . 4.210 1.993 1.877 2.512 . 0 0 "[ . 1 . 2]" 1
276 1 66 ILE HA 1 66 ILE MD . . 3.930 3.168 2.136 3.278 . 0 0 "[ . 1 . 2]" 1
277 1 66 ILE HB 1 66 ILE MD . . 3.590 2.197 2.118 3.215 . 0 0 "[ . 1 . 2]" 1
278 1 66 ILE MD 1 67 SER H . . 4.670 3.727 3.617 4.344 . 0 0 "[ . 1 . 2]" 1
279 1 66 ILE MG 1 67 SER H . . 4.460 3.289 3.155 3.705 . 0 0 "[ . 1 . 2]" 1
280 1 66 ILE MG 1 67 SER HA . . 3.950 3.311 3.201 3.895 . 0 0 "[ . 1 . 2]" 1
281 1 66 ILE MG 1 68 GLU H . . 5.300 4.993 4.855 5.347 0.047 9 0 "[ . 1 . 2]" 1
282 1 66 ILE MG 1 69 PHE QD . . 4.580 3.996 3.454 4.233 . 0 0 "[ . 1 . 2]" 1
283 1 66 ILE MG 1 70 MET ME . . 3.800 3.015 2.162 3.800 0.000 6 0 "[ . 1 . 2]" 1
284 1 68 GLU HA 1 68 GLU HG3 . . 3.870 3.675 3.338 3.831 . 0 0 "[ . 1 . 2]" 1
285 1 68 GLU HA 1 71 LYS HG3 . . 3.710 2.610 2.213 2.796 . 0 0 "[ . 1 . 2]" 1
286 1 69 PHE H 1 70 MET H . . 4.010 2.819 2.779 2.841 . 0 0 "[ . 1 . 2]" 1
287 1 69 PHE HA 1 69 PHE QE . . 4.720 4.570 4.517 4.595 . 0 0 "[ . 1 . 2]" 1
288 1 69 PHE QE 1 73 TYR HB3 . . 4.630 4.424 4.121 4.633 0.003 17 0 "[ . 1 . 2]" 1
289 1 69 PHE QE 1 73 TYR QD . . 4.670 3.217 1.997 4.283 . 0 0 "[ . 1 . 2]" 1
290 1 70 MET H 1 70 MET HB3 . . 3.950 3.464 2.659 3.573 . 0 0 "[ . 1 . 2]" 1
291 1 70 MET H 1 71 LYS H . . 4.050 2.717 2.614 2.752 . 0 0 "[ . 1 . 2]" 1
292 1 70 MET H 1 72 LYS H . . 4.760 4.562 4.513 4.603 . 0 0 "[ . 1 . 2]" 1
293 1 70 MET HA 1 70 MET ME . . 4.400 4.170 3.201 4.389 . 0 0 "[ . 1 . 2]" 1
294 1 71 LYS H 1 71 LYS HG3 . . 3.670 3.459 3.445 3.474 . 0 0 "[ . 1 . 2]" 1
295 1 71 LYS H 1 72 LYS H . . 3.410 2.838 2.764 2.872 . 0 0 "[ . 1 . 2]" 1
296 1 72 LYS H 1 73 TYR H . . 3.370 2.728 2.655 2.794 . 0 0 "[ . 1 . 2]" 1
297 1 72 LYS H 1 73 TYR HB3 . . 5.040 5.028 4.915 5.079 0.039 17 0 "[ . 1 . 2]" 1
298 1 73 TYR H 1 73 TYR HB3 . . 3.380 2.729 2.670 2.810 . 0 0 "[ . 1 . 2]" 1
299 1 73 TYR HA 1 73 TYR QD . . 3.930 2.647 2.383 3.102 . 0 0 "[ . 1 . 2]" 1
300 1 73 TYR HB3 1 74 LYS H . . 3.790 2.558 2.516 2.596 . 0 0 "[ . 1 . 2]" 1
301 1 74 LYS H 1 75 LYS H . . 3.730 2.920 2.850 2.939 . 0 0 "[ . 1 . 2]" 1
302 1 74 LYS HA 1 74 LYS HG3 . . 4.100 3.003 2.360 3.668 . 0 0 "[ . 1 . 2]" 1
303 1 75 LYS H 1 76 MET H . . 3.490 2.734 2.547 2.768 . 0 0 "[ . 1 . 2]" 1
304 1 75 LYS H 1 77 LYS H . . 4.660 4.470 4.350 4.586 . 0 0 "[ . 1 . 2]" 1
305 1 76 MET HA 1 76 MET ME . . 4.080 3.217 2.180 4.087 0.007 20 0 "[ . 1 . 2]" 1
306 1 76 MET HA 1 76 MET HG3 . . 4.210 2.764 2.252 3.643 . 0 0 "[ . 1 . 2]" 1
307 1 77 LYS HA 1 78 GLU H . . 2.820 2.299 2.149 2.452 . 0 0 "[ . 1 . 2]" 1
308 1 78 GLU H 1 79 GLY QA . . 4.920 4.672 4.114 4.940 0.020 18 0 "[ . 1 . 2]" 1
309 1 79 GLY H 1 79 GLY QA . . 2.750 2.401 2.205 2.502 . 0 0 "[ . 1 . 2]" 1
310 1 79 GLY QA 1 80 GLU H . . 2.990 2.211 2.109 2.590 . 0 0 "[ . 1 . 2]" 1
311 1 82 ASN HA 1 83 LYS H . . 3.300 2.243 2.146 2.315 . 0 0 "[ . 1 . 2]" 1
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