NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500933 |
2rrh   |
11419 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrh
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 385
_Distance_constraint_stats_list.Viol_count 244
_Distance_constraint_stats_list.Viol_total 109.979
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0071
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0225
_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 3 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 6 0 "[ . 1 . 2]"
1 5 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PHE 0.131 0.056 11 0 "[ . 1 . 2]"
1 7 THR 0.000 0.000 12 0 "[ . 1 . 2]"
1 8 ASP 0.127 0.056 11 0 "[ . 1 . 2]"
1 9 ASN 0.031 0.009 9 0 "[ . 1 . 2]"
1 10 TYR 0.036 0.008 3 0 "[ . 1 . 2]"
1 11 THR 0.009 0.009 10 0 "[ . 1 . 2]"
1 12 ARG 0.311 0.053 19 0 "[ . 1 . 2]"
1 13 LEU 0.187 0.073 10 0 "[ . 1 . 2]"
1 14 ARG 0.944 0.138 18 0 "[ . 1 . 2]"
1 15 LYS 0.319 0.116 11 0 "[ . 1 . 2]"
1 16 GLN 0.023 0.016 13 0 "[ . 1 . 2]"
1 17 MET 0.979 0.138 18 0 "[ . 1 . 2]"
1 18 ALA 2.649 0.113 13 0 "[ . 1 . 2]"
1 19 VAL 2.678 0.113 13 0 "[ . 1 . 2]"
1 20 LYS 0.708 0.088 14 0 "[ . 1 . 2]"
1 21 LYS 0.161 0.025 8 0 "[ . 1 . 2]"
1 22 TYR 0.135 0.019 12 0 "[ . 1 . 2]"
1 23 LEU 0.337 0.033 12 0 "[ . 1 . 2]"
1 24 ASN 0.169 0.033 12 0 "[ . 1 . 2]"
1 25 SER 0.004 0.002 12 0 "[ . 1 . 2]"
1 26 ILE 0.246 0.040 11 0 "[ . 1 . 2]"
1 27 LEU 0.129 0.040 11 0 "[ . 1 . 2]"
1 28 ASN 0.049 0.014 8 0 "[ . 1 . 2]"
1 29 GLY 0.062 0.014 8 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 3 ASP H 1 4 ALA H . . 4.530 3.167 1.864 4.456 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP HA 1 4 ALA MB . . 4.840 4.498 4.040 4.840 . 0 0 "[ . 1 . 2]" 1
3 1 3 ASP QB 1 4 ALA H . . 4.190 3.415 2.013 4.004 . 0 0 "[ . 1 . 2]" 1
4 1 3 ASP QB 1 4 ALA MB . . 5.070 4.597 3.432 5.069 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 4 ALA MB . . 3.210 2.083 2.028 2.239 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 5 VAL H . . 3.740 2.756 2.598 2.941 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA H 1 5 VAL QG . . 4.540 3.740 3.497 3.927 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 7 THR H . . 4.170 3.754 3.658 3.942 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA MB 1 5 VAL H . . 3.500 2.585 2.403 2.747 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA MB 1 5 VAL HA . . 4.340 3.712 3.636 3.834 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA MB 1 5 VAL MG1 . . 5.010 3.933 3.608 4.101 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 5 VAL QG . . 4.020 3.777 3.525 3.905 . 0 0 "[ . 1 . 2]" 1
13 1 4 ALA MB 1 5 VAL MG2 . . 5.010 4.892 4.768 4.980 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA MB 1 6 PHE H . . 4.720 4.489 4.386 4.568 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA MB 1 6 PHE QB . . 5.500 5.444 5.336 5.500 0.000 6 0 "[ . 1 . 2]" 1
16 1 4 ALA MB 1 8 ASP QB . . 5.290 3.851 3.680 4.222 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 5 VAL HB . . 3.240 2.606 2.510 2.839 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL H 1 5 VAL MG1 . . 3.840 1.990 1.875 2.100 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL H 1 5 VAL QG . . 2.940 1.983 1.870 2.090 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL H 1 5 VAL MG2 . . 3.840 3.759 3.714 3.767 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL H 1 6 PHE H . . 3.240 2.665 2.599 2.726 . 0 0 "[ . 1 . 2]" 1
22 1 5 VAL H 1 6 PHE QB . . 4.740 4.510 4.403 4.578 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL H 1 7 THR H . . 4.630 4.487 4.433 4.572 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL H 1 8 ASP QB . . 4.630 4.302 4.234 4.396 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL HA 1 5 VAL MG1 . . 3.450 3.194 3.171 3.204 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL HA 1 5 VAL QG . . 3.010 2.339 2.185 2.440 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL HA 1 5 VAL MG2 . . 3.450 2.406 2.224 2.537 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL HA 1 7 THR H . . 4.990 4.788 4.752 4.871 . 0 0 "[ . 1 . 2]" 1
29 1 5 VAL HA 1 8 ASP H . . 4.800 3.582 3.530 3.702 . 0 0 "[ . 1 . 2]" 1
30 1 5 VAL HA 1 8 ASP QB . . 4.340 2.266 2.196 2.436 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL HB 1 6 PHE H . . 4.090 3.944 3.871 4.080 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL QG 1 6 PHE QB . . 4.760 3.380 3.330 3.451 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL QG 1 7 THR H . . 5.160 4.165 4.102 4.202 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL QG 1 7 THR MG . . 5.050 4.503 4.401 4.573 . 0 0 "[ . 1 . 2]" 1
35 1 5 VAL QG 1 8 ASP H . . 5.060 4.330 4.305 4.406 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL QG 1 9 ASN QB . . 4.350 3.528 3.086 3.959 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL QG 1 9 ASN QD . . 4.380 3.565 1.982 4.171 . 0 0 "[ . 1 . 2]" 1
38 1 5 VAL MG1 1 6 PHE H . . 3.670 1.948 1.876 2.057 . 0 0 "[ . 1 . 2]" 1
39 1 5 VAL MG1 1 6 PHE HA . . 4.560 3.302 3.101 3.708 . 0 0 "[ . 1 . 2]" 1
40 1 5 VAL MG2 1 6 PHE H . . 3.670 3.513 3.172 3.662 . 0 0 "[ . 1 . 2]" 1
41 1 5 VAL MG2 1 6 PHE HA . . 4.560 3.520 3.099 3.807 . 0 0 "[ . 1 . 2]" 1
42 1 6 PHE H 1 6 PHE QB . . 3.040 2.259 2.216 2.308 . 0 0 "[ . 1 . 2]" 1
43 1 6 PHE H 1 6 PHE QD . . 4.240 2.186 1.955 2.449 . 0 0 "[ . 1 . 2]" 1
44 1 6 PHE H 1 6 PHE QE . . 4.490 4.427 4.249 4.490 . 17 0 "[ . 1 . 2]" 1
45 1 6 PHE H 1 7 THR MG . . 4.100 3.890 3.783 4.006 . 0 0 "[ . 1 . 2]" 1
46 1 6 PHE H 1 8 ASP H . . 4.050 3.974 3.915 3.994 . 0 0 "[ . 1 . 2]" 1
47 1 6 PHE H 1 8 ASP QB . . 4.520 4.502 4.469 4.576 0.056 11 0 "[ . 1 . 2]" 1
48 1 6 PHE HA 1 9 ASN QB . . 3.560 3.279 3.122 3.562 0.002 6 0 "[ . 1 . 2]" 1
49 1 6 PHE HA 1 10 TYR H . . 4.790 4.703 4.463 4.791 0.001 9 0 "[ . 1 . 2]" 1
50 1 6 PHE QB 1 7 THR H . . 3.630 2.382 2.349 2.409 . 0 0 "[ . 1 . 2]" 1
51 1 6 PHE QB 1 7 THR HB . . 5.120 3.972 3.932 4.012 . 0 0 "[ . 1 . 2]" 1
52 1 6 PHE QB 1 7 THR MG . . 4.100 3.858 3.770 3.970 . 0 0 "[ . 1 . 2]" 1
53 1 6 PHE QB 1 8 ASP QB . . 5.500 5.501 5.490 5.515 0.015 10 0 "[ . 1 . 2]" 1
54 1 6 PHE QD 1 7 THR H . . 4.800 4.242 4.141 4.316 . 0 0 "[ . 1 . 2]" 1
55 1 6 PHE QD 1 7 THR MG . . 5.480 5.267 5.111 5.455 . 0 0 "[ . 1 . 2]" 1
56 1 7 THR H 1 7 THR HB . . 3.850 2.558 2.503 2.606 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR H 1 7 THR MG . . 3.560 2.075 1.961 2.177 . 0 0 "[ . 1 . 2]" 1
58 1 7 THR H 1 8 ASP H . . 3.830 2.612 2.598 2.659 . 0 0 "[ . 1 . 2]" 1
59 1 7 THR H 1 10 TYR QB . . 5.500 5.343 5.126 5.494 . 0 0 "[ . 1 . 2]" 1
60 1 7 THR HA 1 7 THR MG . . 3.260 3.205 3.199 3.207 . 0 0 "[ . 1 . 2]" 1
61 1 7 THR HA 1 8 ASP H . . 3.560 3.527 3.523 3.532 . 0 0 "[ . 1 . 2]" 1
62 1 7 THR HA 1 8 ASP HA . . 5.000 4.842 4.830 4.851 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR HA 1 10 TYR QB . . 3.800 2.815 2.576 3.011 . 0 0 "[ . 1 . 2]" 1
64 1 7 THR HA 1 10 TYR QD . . 4.710 2.067 1.998 2.448 . 0 0 "[ . 1 . 2]" 1
65 1 7 THR HB 1 8 ASP H . . 3.930 3.911 3.875 3.930 . 0 0 "[ . 1 . 2]" 1
66 1 7 THR MG 1 8 ASP H . . 3.440 2.016 1.890 2.065 . 0 0 "[ . 1 . 2]" 1
67 1 7 THR MG 1 8 ASP HA . . 3.790 3.083 2.950 3.234 . 0 0 "[ . 1 . 2]" 1
68 1 7 THR MG 1 10 TYR H . . 5.010 4.912 4.735 5.010 . 12 0 "[ . 1 . 2]" 1
69 1 7 THR MG 1 10 TYR QD . . 4.960 4.760 4.653 4.799 . 0 0 "[ . 1 . 2]" 1
70 1 7 THR MG 1 10 TYR QE . . 5.500 5.423 5.155 5.500 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASP H 1 8 ASP QB . . 3.860 2.165 2.131 2.189 . 0 0 "[ . 1 . 2]" 1
72 1 8 ASP H 1 9 ASN H . . 4.090 2.759 2.709 2.818 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASP QB 1 9 ASN H . . 4.520 2.728 2.562 2.877 . 0 0 "[ . 1 . 2]" 1
74 1 8 ASP QB 1 9 ASN HA . . 4.700 4.271 3.790 4.503 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASN H 1 9 ASN QB . . 3.570 2.219 2.161 2.295 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASN HA 1 11 THR H . . 4.720 4.455 4.084 4.665 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASN HA 1 12 ARG H . . 4.710 3.634 3.416 3.796 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASN HA 1 12 ARG QB . . 3.910 3.273 2.666 3.919 0.009 9 0 "[ . 1 . 2]" 1
79 1 9 ASN HA 1 12 ARG QD . . 4.100 3.235 1.981 4.096 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASN QB 1 10 TYR H . . 3.570 2.684 2.497 3.325 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASN HB2 1 10 TYR H . . 4.110 3.377 2.737 3.987 . 0 0 "[ . 1 . 2]" 1
82 1 9 ASN HB3 1 10 TYR H . . 4.110 3.032 2.540 3.576 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR H 1 10 TYR QB . . 3.390 2.529 2.461 2.568 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR H 1 10 TYR QD . . 3.700 3.005 2.509 3.105 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR H 1 10 TYR QE . . 4.420 4.336 4.229 4.397 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR H 1 12 ARG H . . 4.290 4.218 4.052 4.298 0.008 3 0 "[ . 1 . 2]" 1
87 1 10 TYR HA 1 10 TYR QD . . 4.110 2.088 1.997 2.191 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR HA 1 10 TYR QE . . 4.580 4.414 4.331 4.481 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR HA 1 13 LEU H . . 3.630 3.530 3.361 3.634 0.004 20 0 "[ . 1 . 2]" 1
90 1 10 TYR HA 1 13 LEU QB . . 3.540 2.572 2.379 2.926 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HA 1 13 LEU QD . . 4.040 3.065 2.624 3.626 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR HA 1 14 ARG H . . 4.990 3.931 3.707 4.351 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR QB 1 11 THR H . . 3.870 2.552 2.429 2.717 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QB 1 13 LEU H . . 5.020 4.931 4.763 5.026 0.006 13 0 "[ . 1 . 2]" 1
95 1 10 TYR QD 1 11 THR H . . 4.600 4.288 4.192 4.431 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QD 1 13 LEU QB . . 4.450 3.843 3.614 4.321 . 0 0 "[ . 1 . 2]" 1
97 1 11 THR H 1 11 THR HB . . 3.990 2.844 2.264 3.618 . 0 0 "[ . 1 . 2]" 1
98 1 11 THR H 1 11 THR MG . . 3.990 3.072 1.900 3.768 . 0 0 "[ . 1 . 2]" 1
99 1 11 THR H 1 12 ARG H . . 3.600 2.716 2.651 2.816 . 0 0 "[ . 1 . 2]" 1
100 1 11 THR H 1 13 LEU H . . 4.450 4.153 4.090 4.269 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR H 1 14 ARG QB . . 4.820 4.754 4.563 4.829 0.009 10 0 "[ . 1 . 2]" 1
102 1 11 THR HA 1 11 THR MG . . 3.680 2.510 2.218 3.203 . 0 0 "[ . 1 . 2]" 1
103 1 11 THR HA 1 14 ARG QB . . 3.760 2.935 2.646 3.297 . 0 0 "[ . 1 . 2]" 1
104 1 11 THR HB 1 12 ARG H . . 4.220 3.047 2.406 3.963 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG H 1 12 ARG QB . . 3.660 2.383 2.216 2.636 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG H 1 12 ARG QD . . 4.560 3.981 2.724 4.505 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG H 1 12 ARG QG . . 4.300 2.902 1.884 4.038 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG HA 1 12 ARG QD . . 4.300 4.001 2.187 4.353 0.053 19 0 "[ . 1 . 2]" 1
109 1 12 ARG QB 1 13 LEU H . . 3.300 2.787 2.487 3.331 0.031 20 0 "[ . 1 . 2]" 1
110 1 13 LEU H 1 13 LEU QB . . 2.970 2.223 2.194 2.234 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU H 1 13 LEU QD . . 3.730 3.705 3.674 3.734 0.004 3 0 "[ . 1 . 2]" 1
112 1 13 LEU H 1 13 LEU HG . . 4.580 4.423 4.357 4.461 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU H 1 14 ARG H . . 3.230 2.658 2.545 2.726 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU HA 1 13 LEU QD . . 3.320 2.533 2.342 2.636 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU HA 1 13 LEU HG . . 4.090 2.957 2.874 3.110 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU HA 1 14 ARG QB . . 5.250 5.195 5.179 5.323 0.073 10 0 "[ . 1 . 2]" 1
117 1 13 LEU HA 1 16 GLN H . . 3.910 3.469 3.390 3.562 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU HA 1 17 MET H . . 4.700 4.555 4.359 4.711 0.011 6 0 "[ . 1 . 2]" 1
119 1 13 LEU QB 1 13 LEU QD . . 2.550 1.814 1.757 1.896 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU QB 1 14 ARG H . . 3.260 2.622 2.584 2.680 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU QB 1 14 ARG HA . . 4.740 4.187 4.138 4.290 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU QD 1 14 ARG H . . 4.200 3.747 3.629 3.867 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU QD 1 14 ARG HA . . 4.400 3.979 3.823 4.099 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU QD 1 16 GLN H . . 5.030 4.658 4.416 4.943 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU QD 1 16 GLN HB2 . . 4.810 3.456 3.166 3.953 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU QD 1 16 GLN QB . . 4.030 3.312 3.043 3.743 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU QD 1 16 GLN HB3 . . 4.810 4.255 3.941 4.629 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU QD 1 16 GLN QG . . 5.130 3.936 3.669 4.520 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU QD 1 17 MET H . . 4.830 4.363 3.980 4.536 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU QD 1 17 MET QG . . 4.410 3.241 2.958 3.767 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU HG 1 14 ARG H . . 3.890 3.799 3.538 3.892 0.002 10 0 "[ . 1 . 2]" 1
132 1 13 LEU HG 1 14 ARG HA . . 4.130 3.704 3.409 3.814 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HG 1 16 GLN HB2 . . 5.500 4.072 3.906 4.422 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU HG 1 16 GLN QB . . 4.760 3.950 3.815 4.250 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU HG 1 16 GLN HB3 . . 5.500 5.334 5.149 5.505 0.005 10 0 "[ . 1 . 2]" 1
136 1 13 LEU HG 1 17 MET H . . 4.290 4.180 4.008 4.292 0.002 10 0 "[ . 1 . 2]" 1
137 1 13 LEU HG 1 17 MET HG2 . . 5.010 3.551 3.076 4.274 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU HG 1 17 MET QG . . 4.300 2.878 2.593 3.217 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU HG 1 17 MET HG3 . . 5.010 3.388 2.621 4.956 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG H 1 14 ARG QB . . 3.150 2.157 2.134 2.209 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG H 1 14 ARG QD . . 4.580 4.383 3.746 4.596 0.016 6 0 "[ . 1 . 2]" 1
142 1 14 ARG H 1 14 ARG QG . . 4.130 3.815 2.730 4.050 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG H 1 15 LYS H . . 3.170 2.684 2.577 2.705 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG H 1 15 LYS QB . . 4.470 4.417 4.327 4.442 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG H 1 17 MET QG . . 5.240 4.732 3.962 5.055 . 0 0 "[ . 1 . 2]" 1
146 1 14 ARG HA 1 14 ARG QD . . 4.150 3.613 1.981 4.199 0.049 10 0 "[ . 1 . 2]" 1
147 1 14 ARG HA 1 14 ARG QG . . 3.960 2.399 2.167 3.265 . 0 0 "[ . 1 . 2]" 1
148 1 14 ARG HA 1 17 MET H . . 4.260 3.446 3.373 3.514 . 0 0 "[ . 1 . 2]" 1
149 1 14 ARG HA 1 17 MET QB . . 3.940 3.079 2.753 3.866 . 0 0 "[ . 1 . 2]" 1
150 1 14 ARG HA 1 17 MET HG2 . . 5.060 3.884 1.961 5.043 . 0 0 "[ . 1 . 2]" 1
151 1 14 ARG HA 1 17 MET QG . . 4.360 2.962 1.886 3.402 . 0 0 "[ . 1 . 2]" 1
152 1 14 ARG HA 1 17 MET HG3 . . 5.060 3.177 2.409 3.572 . 0 0 "[ . 1 . 2]" 1
153 1 14 ARG QB 1 14 ARG QD . . 3.360 2.219 2.031 2.780 . 0 0 "[ . 1 . 2]" 1
154 1 14 ARG QB 1 15 LYS H . . 3.790 2.703 2.630 3.388 . 0 0 "[ . 1 . 2]" 1
155 1 14 ARG QB 1 17 MET H . . 5.150 5.064 5.012 5.100 . 0 0 "[ . 1 . 2]" 1
156 1 14 ARG QB 1 17 MET QB . . 5.410 4.862 4.281 5.548 0.138 18 0 "[ . 1 . 2]" 1
157 1 14 ARG QB 1 18 ALA MB . . 4.010 4.007 3.818 4.040 0.030 20 0 "[ . 1 . 2]" 1
158 1 14 ARG QD 1 18 ALA MB . . 4.130 3.742 1.950 4.146 0.016 6 0 "[ . 1 . 2]" 1
159 1 14 ARG QG 1 15 LYS H . . 4.950 4.132 2.224 4.473 . 0 0 "[ . 1 . 2]" 1
160 1 14 ARG QG 1 18 ALA H . . 4.850 4.073 3.796 4.561 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG QG 1 18 ALA MB . . 3.820 3.135 2.669 3.811 . 0 0 "[ . 1 . 2]" 1
162 1 15 LYS H 1 15 LYS QB . . 3.010 2.228 2.201 2.246 . 0 0 "[ . 1 . 2]" 1
163 1 15 LYS H 1 15 LYS QD . . 4.840 4.184 3.842 4.482 . 0 0 "[ . 1 . 2]" 1
164 1 15 LYS H 1 15 LYS QG . . 4.200 4.014 3.947 4.061 . 0 0 "[ . 1 . 2]" 1
165 1 15 LYS H 1 16 GLN H . . 3.330 2.714 2.646 2.776 . 0 0 "[ . 1 . 2]" 1
166 1 15 LYS HA 1 15 LYS QD . . 3.160 2.366 1.859 3.102 . 0 0 "[ . 1 . 2]" 1
167 1 15 LYS HA 1 15 LYS QE . . 3.640 3.049 1.975 3.756 0.116 11 0 "[ . 1 . 2]" 1
168 1 15 LYS HA 1 15 LYS QG . . 3.620 2.842 2.608 3.194 . 0 0 "[ . 1 . 2]" 1
169 1 15 LYS HA 1 18 ALA H . . 3.920 3.518 3.430 3.670 . 0 0 "[ . 1 . 2]" 1
170 1 15 LYS HA 1 18 ALA MB . . 3.090 2.708 2.584 2.939 . 0 0 "[ . 1 . 2]" 1
171 1 15 LYS HA 1 19 VAL H . . 4.160 3.944 3.793 4.050 . 0 0 "[ . 1 . 2]" 1
172 1 15 LYS HA 1 19 VAL HA . . 5.500 5.453 5.223 5.529 0.029 14 0 "[ . 1 . 2]" 1
173 1 15 LYS HA 1 19 VAL MG2 . . 4.850 3.749 3.501 3.938 . 0 0 "[ . 1 . 2]" 1
174 1 15 LYS QB 1 15 LYS QD . . 2.910 2.331 2.051 2.768 . 0 0 "[ . 1 . 2]" 1
175 1 15 LYS QB 1 15 LYS QE . . 4.120 3.231 1.996 3.871 . 0 0 "[ . 1 . 2]" 1
176 1 15 LYS QB 1 16 GLN H . . 3.100 2.583 2.462 2.669 . 0 0 "[ . 1 . 2]" 1
177 1 15 LYS QB 1 17 MET H . . 4.920 4.858 4.771 4.919 . 0 0 "[ . 1 . 2]" 1
178 1 15 LYS QB 1 18 ALA H . . 5.500 4.997 4.903 5.121 . 0 0 "[ . 1 . 2]" 1
179 1 15 LYS QB 1 19 VAL MG2 . . 4.190 3.961 3.726 4.119 . 0 0 "[ . 1 . 2]" 1
180 1 15 LYS QE 1 19 VAL H . . 5.500 4.656 3.472 5.478 . 0 0 "[ . 1 . 2]" 1
181 1 15 LYS QE 1 19 VAL MG2 . . 4.340 2.678 2.012 3.771 . 0 0 "[ . 1 . 2]" 1
182 1 15 LYS QG 1 16 GLN HA . . 3.990 3.694 3.196 4.006 0.016 13 0 "[ . 1 . 2]" 1
183 1 16 GLN H 1 16 GLN HB2 . . 3.890 2.241 2.176 2.347 . 0 0 "[ . 1 . 2]" 1
184 1 16 GLN H 1 16 GLN QB . . 3.290 2.217 2.155 2.317 . 0 0 "[ . 1 . 2]" 1
185 1 16 GLN H 1 16 GLN HB3 . . 3.890 3.523 3.483 3.571 . 0 0 "[ . 1 . 2]" 1
186 1 16 GLN H 1 16 GLN HG2 . . 3.960 2.892 2.554 3.818 . 0 0 "[ . 1 . 2]" 1
187 1 16 GLN H 1 16 GLN QG . . 3.440 2.791 2.491 3.438 . 0 0 "[ . 1 . 2]" 1
188 1 16 GLN H 1 16 GLN HG3 . . 3.960 3.799 3.463 3.956 . 0 0 "[ . 1 . 2]" 1
189 1 16 GLN H 1 17 MET H . . 3.340 2.697 2.615 2.761 . 0 0 "[ . 1 . 2]" 1
190 1 16 GLN H 1 19 VAL MG2 . . 4.700 4.413 4.286 4.581 . 0 0 "[ . 1 . 2]" 1
191 1 16 GLN HA 1 16 GLN HG2 . . 4.010 2.760 2.422 3.670 . 0 0 "[ . 1 . 2]" 1
192 1 16 GLN HA 1 16 GLN QG . . 3.520 2.584 2.387 2.953 . 0 0 "[ . 1 . 2]" 1
193 1 16 GLN HA 1 16 GLN HG3 . . 4.010 3.537 2.523 3.704 . 0 0 "[ . 1 . 2]" 1
194 1 16 GLN HA 1 19 VAL H . . 3.790 3.536 3.451 3.560 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLN HA 1 19 VAL HB . . 3.740 2.643 2.440 2.734 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLN HA 1 19 VAL MG2 . . 3.510 2.983 2.788 3.215 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLN QB 1 17 MET H . . 3.300 2.546 2.482 2.576 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLN HB2 1 17 MET H . . 4.020 2.662 2.550 2.726 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLN HB3 1 17 MET H . . 4.020 3.253 3.169 3.409 . 0 0 "[ . 1 . 2]" 1
200 1 16 GLN QE 1 19 VAL MG1 . . 4.490 3.768 3.240 4.327 . 0 0 "[ . 1 . 2]" 1
201 1 16 GLN QE 1 19 VAL MG2 . . 4.670 3.436 2.895 4.667 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLN QG 1 17 MET H . . 4.570 4.280 4.149 4.454 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLN QG 1 19 VAL MG2 . . 4.760 4.449 4.125 4.761 0.001 11 0 "[ . 1 . 2]" 1
204 1 16 GLN HG2 1 17 MET H . . 5.210 4.684 4.444 4.965 . 0 0 "[ . 1 . 2]" 1
205 1 16 GLN HG3 1 17 MET H . . 5.210 4.955 4.795 5.044 . 0 0 "[ . 1 . 2]" 1
206 1 17 MET H 1 17 MET QB . . 3.760 2.521 2.424 2.706 . 0 0 "[ . 1 . 2]" 1
207 1 17 MET H 1 17 MET HG2 . . 3.750 2.401 1.870 3.096 . 0 0 "[ . 1 . 2]" 1
208 1 17 MET H 1 17 MET HG3 . . 3.750 2.878 2.309 3.371 . 0 0 "[ . 1 . 2]" 1
209 1 17 MET H 1 18 ALA H . . 3.400 2.565 2.550 2.638 . 0 0 "[ . 1 . 2]" 1
210 1 17 MET H 1 18 ALA MB . . 4.360 4.218 4.158 4.265 . 0 0 "[ . 1 . 2]" 1
211 1 17 MET H 1 20 LYS H . . 5.280 5.193 5.059 5.301 0.021 15 0 "[ . 1 . 2]" 1
212 1 17 MET HA 1 17 MET HG2 . . 4.240 2.860 2.387 3.701 . 0 0 "[ . 1 . 2]" 1
213 1 17 MET HA 1 17 MET QG . . 3.560 2.734 2.344 3.317 . 0 0 "[ . 1 . 2]" 1
214 1 17 MET HA 1 17 MET HG3 . . 4.240 3.661 3.379 3.890 . 0 0 "[ . 1 . 2]" 1
215 1 17 MET HA 1 20 LYS H . . 4.390 3.783 3.725 3.835 . 0 0 "[ . 1 . 2]" 1
216 1 17 MET HA 1 20 LYS QB . . 4.300 3.554 3.218 4.314 0.014 14 0 "[ . 1 . 2]" 1
217 1 17 MET QB 1 18 ALA H . . 3.520 2.791 2.582 3.326 . 0 0 "[ . 1 . 2]" 1
218 1 17 MET QB 1 18 ALA HA . . 4.240 3.959 3.885 4.150 . 0 0 "[ . 1 . 2]" 1
219 1 17 MET QB 1 18 ALA MB . . 4.200 3.838 3.671 4.294 0.094 20 0 "[ . 1 . 2]" 1
220 1 17 MET QB 1 20 LYS QE . . 4.510 3.974 3.501 4.536 0.026 12 0 "[ . 1 . 2]" 1
221 1 17 MET QG 1 18 ALA MB . . 5.340 4.649 2.823 5.189 . 0 0 "[ . 1 . 2]" 1
222 1 17 MET HG2 1 18 ALA H . . 4.830 4.192 2.977 4.823 . 0 0 "[ . 1 . 2]" 1
223 1 17 MET HG3 1 18 ALA H . . 4.830 4.049 1.992 4.821 . 0 0 "[ . 1 . 2]" 1
224 1 18 ALA H 1 18 ALA MB . . 2.910 2.128 2.048 2.226 . 0 0 "[ . 1 . 2]" 1
225 1 18 ALA H 1 19 VAL H . . 3.300 2.486 2.472 2.499 . 0 0 "[ . 1 . 2]" 1
226 1 18 ALA H 1 19 VAL HB . . 4.580 4.437 4.418 4.446 . 0 0 "[ . 1 . 2]" 1
227 1 18 ALA H 1 19 VAL MG1 . . 5.500 5.600 5.585 5.613 0.113 13 0 "[ . 1 . 2]" 1
228 1 18 ALA H 1 19 VAL MG2 . . 4.800 4.507 4.420 4.595 . 0 0 "[ . 1 . 2]" 1
229 1 18 ALA H 1 21 LYS QB . . 5.500 5.125 4.744 5.521 0.021 12 0 "[ . 1 . 2]" 1
230 1 18 ALA HA 1 20 LYS H . . 4.980 4.396 4.117 4.590 . 0 0 "[ . 1 . 2]" 1
231 1 18 ALA HA 1 21 LYS H . . 3.850 3.413 3.299 3.496 . 0 0 "[ . 1 . 2]" 1
232 1 18 ALA HA 1 21 LYS QB . . 3.350 2.690 2.320 2.986 . 0 0 "[ . 1 . 2]" 1
233 1 18 ALA HA 1 22 TYR QD . . 4.150 3.846 3.216 4.169 0.019 12 0 "[ . 1 . 2]" 1
234 1 18 ALA MB 1 19 VAL H . . 3.220 2.877 2.750 2.952 . 0 0 "[ . 1 . 2]" 1
235 1 18 ALA MB 1 19 VAL HA . . 4.320 3.786 3.738 3.837 . 0 0 "[ . 1 . 2]" 1
236 1 18 ALA MB 1 19 VAL MG2 . . 3.870 3.714 3.525 3.863 . 0 0 "[ . 1 . 2]" 1
237 1 18 ALA MB 1 21 LYS QB . . 4.010 3.762 3.584 3.863 . 0 0 "[ . 1 . 2]" 1
238 1 18 ALA MB 1 22 TYR QB . . 5.050 4.594 3.946 4.998 . 0 0 "[ . 1 . 2]" 1
239 1 18 ALA MB 1 22 TYR QD . . 4.620 3.491 2.798 3.806 . 0 0 "[ . 1 . 2]" 1
240 1 19 VAL H 1 19 VAL HB . . 3.260 2.226 2.216 2.239 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL H 1 19 VAL MG1 . . 3.680 3.626 3.616 3.640 . 0 0 "[ . 1 . 2]" 1
242 1 19 VAL H 1 19 VAL MG2 . . 2.990 2.760 2.677 2.834 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL H 1 20 LYS H . . 2.840 2.726 2.683 2.767 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL H 1 20 LYS QE . . 5.260 4.007 3.817 4.194 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL H 1 22 TYR QB . . 5.160 4.979 4.647 5.163 0.003 18 0 "[ . 1 . 2]" 1
246 1 19 VAL HA 1 19 VAL MG1 . . 3.350 2.650 2.626 2.686 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL HA 1 19 VAL MG2 . . 3.080 2.124 2.013 2.225 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL HA 1 20 LYS QE . . 5.500 5.516 5.414 5.588 0.088 14 0 "[ . 1 . 2]" 1
249 1 19 VAL HA 1 21 LYS H . . 4.720 4.476 4.295 4.665 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL HA 1 22 TYR QB . . 3.640 2.745 2.446 2.943 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL HA 1 23 LEU H . . 4.760 4.128 3.663 4.468 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL HB 1 20 LYS H . . 3.560 2.729 2.648 2.877 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL MG1 1 20 LYS H . . 3.480 2.720 2.556 2.904 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL MG1 1 20 LYS HA . . 3.570 2.904 2.808 2.968 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL MG1 1 20 LYS QB . . 4.210 3.861 3.197 4.212 0.002 12 0 "[ . 1 . 2]" 1
256 1 19 VAL MG1 1 20 LYS QG . . 4.340 3.295 2.543 4.374 0.034 19 0 "[ . 1 . 2]" 1
257 1 19 VAL MG1 1 22 TYR QB . . 4.500 3.911 3.442 4.339 . 0 0 "[ . 1 . 2]" 1
258 1 19 VAL MG1 1 23 LEU H . . 4.530 3.876 3.677 4.127 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL MG1 1 23 LEU HA . . 5.500 5.362 5.100 5.503 0.003 15 0 "[ . 1 . 2]" 1
260 1 19 VAL MG1 1 23 LEU HG . . 4.580 3.286 2.504 4.581 0.001 15 0 "[ . 1 . 2]" 1
261 1 19 VAL MG2 1 22 TYR QB . . 4.380 4.090 3.748 4.293 . 0 0 "[ . 1 . 2]" 1
262 1 19 VAL MG2 1 23 LEU H . . 5.500 5.303 4.994 5.532 0.032 9 0 "[ . 1 . 2]" 1
263 1 20 LYS H 1 20 LYS QB . . 3.020 2.244 2.155 2.601 . 0 0 "[ . 1 . 2]" 1
264 1 20 LYS H 1 20 LYS QD . . 4.080 3.419 1.863 4.063 . 0 0 "[ . 1 . 2]" 1
265 1 20 LYS H 1 20 LYS QE . . 4.820 2.569 2.303 3.097 . 0 0 "[ . 1 . 2]" 1
266 1 20 LYS H 1 21 LYS H . . 2.860 2.687 2.593 2.789 . 0 0 "[ . 1 . 2]" 1
267 1 20 LYS H 1 23 LEU H . . 4.930 4.865 4.694 4.960 0.030 12 0 "[ . 1 . 2]" 1
268 1 20 LYS HA 1 20 LYS QD . . 4.690 3.760 2.394 4.581 . 0 0 "[ . 1 . 2]" 1
269 1 20 LYS HA 1 20 LYS QG . . 3.830 2.454 2.174 3.338 . 0 0 "[ . 1 . 2]" 1
270 1 20 LYS HA 1 23 LEU H . . 4.090 3.601 3.431 3.749 . 0 0 "[ . 1 . 2]" 1
271 1 20 LYS HA 1 23 LEU QB . . 4.140 3.494 3.069 3.921 . 0 0 "[ . 1 . 2]" 1
272 1 20 LYS HA 1 23 LEU QD . . 3.780 2.321 1.836 3.013 . 0 0 "[ . 1 . 2]" 1
273 1 20 LYS HA 1 23 LEU HG . . 4.330 2.482 1.999 3.689 . 0 0 "[ . 1 . 2]" 1
274 1 20 LYS HA 1 24 ASN H . . 4.430 3.941 3.520 4.440 0.010 8 0 "[ . 1 . 2]" 1
275 1 20 LYS QB 1 20 LYS QD . . 3.150 2.371 2.118 2.635 . 0 0 "[ . 1 . 2]" 1
276 1 20 LYS QB 1 20 LYS QE . . 3.890 2.194 1.884 3.686 . 0 0 "[ . 1 . 2]" 1
277 1 20 LYS QB 1 23 LEU H . . 5.500 5.056 4.843 5.216 . 0 0 "[ . 1 . 2]" 1
278 1 20 LYS QB 1 23 LEU QD . . 4.460 3.766 2.751 4.478 0.018 9 0 "[ . 1 . 2]" 1
279 1 20 LYS QD 1 21 LYS H . . 4.970 4.622 3.838 4.984 0.014 9 0 "[ . 1 . 2]" 1
280 1 20 LYS QE 1 21 LYS H . . 5.500 4.275 3.759 5.444 . 0 0 "[ . 1 . 2]" 1
281 1 20 LYS QE 1 23 LEU QD . . 5.260 4.620 4.068 5.271 0.011 8 0 "[ . 1 . 2]" 1
282 1 21 LYS H 1 21 LYS QB . . 2.990 2.277 2.161 2.531 . 0 0 "[ . 1 . 2]" 1
283 1 21 LYS H 1 21 LYS QD . . 4.810 4.123 3.756 4.495 . 0 0 "[ . 1 . 2]" 1
284 1 21 LYS H 1 22 TYR H . . 2.850 2.661 2.610 2.727 . 0 0 "[ . 1 . 2]" 1
285 1 21 LYS H 1 22 TYR QB . . 4.590 4.507 4.448 4.573 . 0 0 "[ . 1 . 2]" 1
286 1 21 LYS H 1 23 LEU H . . 4.840 4.338 4.108 4.438 . 0 0 "[ . 1 . 2]" 1
287 1 21 LYS HA 1 21 LYS QD . . 4.000 2.450 2.034 3.396 . 0 0 "[ . 1 . 2]" 1
288 1 21 LYS HA 1 21 LYS QE . . 4.430 4.033 3.512 4.423 . 0 0 "[ . 1 . 2]" 1
289 1 21 LYS HA 1 24 ASN QB . . 3.730 2.609 2.341 3.032 . 0 0 "[ . 1 . 2]" 1
290 1 21 LYS HA 1 24 ASN QD . . 4.820 3.847 2.606 4.820 0.000 6 0 "[ . 1 . 2]" 1
291 1 21 LYS QB 1 22 TYR H . . 3.070 2.630 2.469 2.753 . 0 0 "[ . 1 . 2]" 1
292 1 21 LYS QB 1 22 TYR QB . . 4.380 4.301 4.191 4.398 0.018 12 0 "[ . 1 . 2]" 1
293 1 21 LYS QB 1 23 LEU H . . 5.500 4.881 4.697 4.987 . 0 0 "[ . 1 . 2]" 1
294 1 21 LYS QB 1 24 ASN QB . . 4.750 4.419 4.098 4.775 0.025 8 0 "[ . 1 . 2]" 1
295 1 21 LYS QD 1 24 ASN QB . . 4.670 3.924 3.320 4.672 0.002 8 0 "[ . 1 . 2]" 1
296 1 21 LYS QG 1 22 TYR H . . 4.430 4.118 3.566 4.420 . 0 0 "[ . 1 . 2]" 1
297 1 21 LYS QG 1 24 ASN QB . . 5.040 4.413 3.771 5.044 0.004 7 0 "[ . 1 . 2]" 1
298 1 22 TYR H 1 22 TYR QB . . 3.100 2.232 2.204 2.307 . 0 0 "[ . 1 . 2]" 1
299 1 22 TYR H 1 22 TYR QD . . 3.750 2.292 1.989 3.221 . 0 0 "[ . 1 . 2]" 1
300 1 22 TYR H 1 22 TYR QE . . 4.770 4.550 4.326 4.773 0.003 5 0 "[ . 1 . 2]" 1
301 1 22 TYR H 1 23 LEU H . . 3.480 2.685 2.538 2.774 . 0 0 "[ . 1 . 2]" 1
302 1 22 TYR HA 1 22 TYR QE . . 4.700 4.441 4.280 4.496 . 0 0 "[ . 1 . 2]" 1
303 1 22 TYR HA 1 25 SER H . . 4.130 3.662 3.429 3.901 . 0 0 "[ . 1 . 2]" 1
304 1 22 TYR HA 1 26 ILE HB . . 5.500 5.266 4.733 5.516 0.016 11 0 "[ . 1 . 2]" 1
305 1 22 TYR HA 1 26 ILE MD . . 4.920 3.428 2.980 3.892 . 0 0 "[ . 1 . 2]" 1
306 1 22 TYR QB 1 23 LEU H . . 3.610 2.494 2.353 2.722 . 0 0 "[ . 1 . 2]" 1
307 1 22 TYR QB 1 26 ILE MD . . 4.760 2.732 1.946 3.956 . 0 0 "[ . 1 . 2]" 1
308 1 22 TYR QB 1 26 ILE QG . . 5.270 3.875 3.500 4.301 . 0 0 "[ . 1 . 2]" 1
309 1 22 TYR QD 1 23 LEU H . . 4.340 4.331 4.294 4.352 0.012 12 0 "[ . 1 . 2]" 1
310 1 22 TYR QD 1 26 ILE MD . . 4.810 3.582 2.902 4.582 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU H 1 23 LEU QB . . 3.210 2.486 2.177 2.665 . 0 0 "[ . 1 . 2]" 1
312 1 23 LEU H 1 23 LEU QD . . 3.320 2.849 1.985 3.278 . 0 0 "[ . 1 . 2]" 1
313 1 23 LEU H 1 23 LEU HG . . 3.820 2.281 1.901 2.901 . 0 0 "[ . 1 . 2]" 1
314 1 23 LEU H 1 24 ASN H . . 3.600 2.611 2.529 2.704 . 0 0 "[ . 1 . 2]" 1
315 1 23 LEU H 1 24 ASN QB . . 4.710 4.374 4.229 4.469 . 0 0 "[ . 1 . 2]" 1
316 1 23 LEU H 1 25 SER H . . 4.740 4.310 4.161 4.430 . 0 0 "[ . 1 . 2]" 1
317 1 23 LEU HA 1 23 LEU QD . . 3.330 2.711 1.956 3.341 0.011 11 0 "[ . 1 . 2]" 1
318 1 23 LEU HA 1 23 LEU HG . . 3.970 3.591 3.216 3.740 . 0 0 "[ . 1 . 2]" 1
319 1 23 LEU HA 1 26 ILE H . . 4.810 3.582 3.398 3.687 . 0 0 "[ . 1 . 2]" 1
320 1 23 LEU HA 1 26 ILE MD . . 4.170 3.018 2.050 4.077 . 0 0 "[ . 1 . 2]" 1
321 1 23 LEU HA 1 26 ILE QG . . 4.070 3.915 3.634 4.078 0.008 9 0 "[ . 1 . 2]" 1
322 1 23 LEU HA 1 27 LEU QB . . 5.290 4.630 4.203 5.191 . 0 0 "[ . 1 . 2]" 1
323 1 23 LEU QB 1 24 ASN H . . 3.750 3.105 2.564 3.521 . 0 0 "[ . 1 . 2]" 1
324 1 23 LEU QD 1 24 ASN H . . 4.430 3.220 2.211 4.044 . 0 0 "[ . 1 . 2]" 1
325 1 23 LEU QD 1 24 ASN QB . . 5.480 3.717 2.220 5.043 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU QD 1 27 LEU H . . 4.580 4.367 3.712 4.593 0.013 9 0 "[ . 1 . 2]" 1
327 1 23 LEU HG 1 24 ASN H . . 4.830 3.023 2.015 4.099 . 0 0 "[ . 1 . 2]" 1
328 1 23 LEU HG 1 24 ASN QB . . 5.500 4.360 3.063 5.533 0.033 12 0 "[ . 1 . 2]" 1
329 1 24 ASN H 1 24 ASN QB . . 3.200 2.206 2.131 2.262 . 0 0 "[ . 1 . 2]" 1
330 1 24 ASN H 1 25 SER H . . 3.510 2.675 2.542 2.780 . 0 0 "[ . 1 . 2]" 1
331 1 24 ASN H 1 26 ILE H . . 4.530 4.122 3.726 4.333 . 0 0 "[ . 1 . 2]" 1
332 1 24 ASN H 1 27 LEU H . . 5.200 4.704 4.566 4.891 . 0 0 "[ . 1 . 2]" 1
333 1 24 ASN HA 1 27 LEU H . . 4.730 3.900 3.524 4.159 . 0 0 "[ . 1 . 2]" 1
334 1 24 ASN HA 1 27 LEU QB . . 4.600 3.062 2.596 3.399 . 0 0 "[ . 1 . 2]" 1
335 1 24 ASN HA 1 27 LEU QD . . 4.350 3.214 2.299 3.992 . 0 0 "[ . 1 . 2]" 1
336 1 24 ASN QB 1 25 SER H . . 3.780 2.702 2.326 3.251 . 0 0 "[ . 1 . 2]" 1
337 1 24 ASN QB 1 26 ILE H . . 4.930 4.851 4.603 4.939 0.009 5 0 "[ . 1 . 2]" 1
338 1 24 ASN QB 1 27 LEU QD . . 5.500 4.498 3.797 5.064 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASN QD 1 25 SER H . . 3.600 3.030 2.308 3.600 0.000 11 0 "[ . 1 . 2]" 1
340 1 25 SER H 1 25 SER QB . . 3.400 2.303 2.162 2.571 . 0 0 "[ . 1 . 2]" 1
341 1 25 SER H 1 26 ILE H . . 3.510 2.627 2.524 2.759 . 0 0 "[ . 1 . 2]" 1
342 1 25 SER H 1 26 ILE HB . . 4.780 4.709 4.620 4.776 . 0 0 "[ . 1 . 2]" 1
343 1 25 SER HA 1 28 ASN H . . 4.090 3.629 3.344 4.087 . 0 0 "[ . 1 . 2]" 1
344 1 25 SER HA 1 29 GLY H . . 4.600 4.424 3.558 4.602 0.002 12 0 "[ . 1 . 2]" 1
345 1 25 SER QB 1 26 ILE H . . 4.090 2.582 2.372 3.487 . 0 0 "[ . 1 . 2]" 1
346 1 25 SER QB 1 28 ASN H . . 5.460 5.002 4.637 5.404 . 0 0 "[ . 1 . 2]" 1
347 1 26 ILE H 1 26 ILE HB . . 3.550 2.428 2.332 2.581 . 0 0 "[ . 1 . 2]" 1
348 1 26 ILE H 1 26 ILE MD . . 4.110 2.928 1.844 3.752 . 0 0 "[ . 1 . 2]" 1
349 1 26 ILE H 1 26 ILE HG12 . . 3.920 3.653 3.489 3.925 0.005 8 0 "[ . 1 . 2]" 1
350 1 26 ILE H 1 26 ILE QG . . 3.420 2.582 2.030 3.338 . 0 0 "[ . 1 . 2]" 1
351 1 26 ILE H 1 26 ILE HG13 . . 3.920 2.786 2.042 3.958 0.038 5 0 "[ . 1 . 2]" 1
352 1 26 ILE H 1 26 ILE MG . . 3.830 3.737 3.697 3.767 . 0 0 "[ . 1 . 2]" 1
353 1 26 ILE H 1 27 LEU H . . 3.300 2.758 2.534 2.940 . 0 0 "[ . 1 . 2]" 1
354 1 26 ILE HA 1 26 ILE MD . . 3.970 3.307 2.017 3.871 . 0 0 "[ . 1 . 2]" 1
355 1 26 ILE HA 1 26 ILE QG . . 3.630 2.458 2.306 2.637 . 0 0 "[ . 1 . 2]" 1
356 1 26 ILE HA 1 26 ILE MG . . 3.320 2.461 2.405 2.542 . 0 0 "[ . 1 . 2]" 1
357 1 26 ILE HA 1 29 GLY H . . 4.700 3.828 3.575 4.148 . 0 0 "[ . 1 . 2]" 1
358 1 26 ILE HB 1 26 ILE MD . . 3.340 2.361 2.146 2.664 . 0 0 "[ . 1 . 2]" 1
359 1 26 ILE HB 1 27 LEU H . . 3.640 2.476 2.238 2.916 . 0 0 "[ . 1 . 2]" 1
360 1 26 ILE MD 1 27 LEU H . . 4.510 4.171 3.941 4.485 . 0 0 "[ . 1 . 2]" 1
361 1 26 ILE MD 1 27 LEU HG . . 5.240 4.924 4.460 5.280 0.040 11 0 "[ . 1 . 2]" 1
362 1 26 ILE QG 1 27 LEU H . . 4.690 4.190 4.028 4.614 . 0 0 "[ . 1 . 2]" 1
363 1 26 ILE MG 1 27 LEU H . . 3.620 3.090 2.689 3.391 . 0 0 "[ . 1 . 2]" 1
364 1 26 ILE MG 1 27 LEU HA . . 4.180 3.243 2.889 3.473 . 0 0 "[ . 1 . 2]" 1
365 1 26 ILE MG 1 29 GLY H . . 4.780 4.620 4.398 4.784 0.004 5 0 "[ . 1 . 2]" 1
366 1 27 LEU H 1 27 LEU QB . . 3.140 2.351 2.185 2.504 . 0 0 "[ . 1 . 2]" 1
367 1 27 LEU H 1 27 LEU QD . . 3.450 3.141 3.016 3.381 . 0 0 "[ . 1 . 2]" 1
368 1 27 LEU H 1 27 LEU HG . . 3.800 2.499 2.105 2.906 . 0 0 "[ . 1 . 2]" 1
369 1 27 LEU H 1 28 ASN H . . 3.460 2.600 2.404 2.701 . 0 0 "[ . 1 . 2]" 1
370 1 27 LEU H 1 28 ASN QB . . 5.150 4.382 4.178 4.675 . 0 0 "[ . 1 . 2]" 1
371 1 27 LEU HA 1 27 LEU HG . . 3.560 2.827 2.563 3.053 . 0 0 "[ . 1 . 2]" 1
372 1 27 LEU HA 1 29 GLY H . . 4.350 3.994 3.827 4.219 . 0 0 "[ . 1 . 2]" 1
373 1 27 LEU QB 1 28 ASN H . . 3.770 2.614 2.519 2.842 . 0 0 "[ . 1 . 2]" 1
374 1 27 LEU QB 1 29 GLY H . . 4.600 4.553 4.394 4.603 0.003 12 0 "[ . 1 . 2]" 1
375 1 27 LEU QD 1 28 ASN H . . 4.320 4.058 3.909 4.184 . 0 0 "[ . 1 . 2]" 1
376 1 27 LEU QD 1 29 GLY H . . 5.440 5.287 5.178 5.363 . 0 0 "[ . 1 . 2]" 1
377 1 27 LEU HG 1 28 ASN H . . 4.800 4.503 4.292 4.751 . 0 0 "[ . 1 . 2]" 1
378 1 28 ASN H 1 28 ASN HB2 . . 3.780 2.613 2.178 3.599 . 0 0 "[ . 1 . 2]" 1
379 1 28 ASN H 1 28 ASN QB . . 3.320 2.253 2.158 2.377 . 0 0 "[ . 1 . 2]" 1
380 1 28 ASN H 1 28 ASN HB3 . . 3.780 2.787 2.268 3.584 . 0 0 "[ . 1 . 2]" 1
381 1 28 ASN H 1 28 ASN QD . . 4.600 4.144 3.074 4.595 . 0 0 "[ . 1 . 2]" 1
382 1 28 ASN H 1 29 GLY H . . 3.060 2.742 2.330 2.983 . 0 0 "[ . 1 . 2]" 1
383 1 28 ASN H 1 29 GLY QA . . 4.940 4.585 4.077 4.846 . 0 0 "[ . 1 . 2]" 1
384 1 28 ASN HB2 1 29 GLY H . . 4.270 3.843 2.764 4.283 0.013 11 0 "[ . 1 . 2]" 1
385 1 28 ASN HB3 1 29 GLY H . . 4.270 3.186 2.611 4.284 0.014 8 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Wednesday, May 15, 2024 7:31:08 PM GMT (wattos1)