NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
500968 |
2rri   |
11420 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rri
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 366
_Distance_constraint_stats_list.Viol_count 439
_Distance_constraint_stats_list.Viol_total 300.772
_Distance_constraint_stats_list.Viol_max 0.223
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0343
_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 0.271 0.223 18 0 "[ . 1 . 2]"
1 4 ALA 0.298 0.223 18 0 "[ . 1 . 2]"
1 5 VAL 0.062 0.016 16 0 "[ . 1 . 2]"
1 6 PHE 2.416 0.082 15 0 "[ . 1 . 2]"
1 7 THR 1.356 0.053 3 0 "[ . 1 . 2]"
1 8 ASP 0.169 0.019 13 0 "[ . 1 . 2]"
1 9 ASN 1.527 0.080 14 0 "[ . 1 . 2]"
1 10 TYR 0.943 0.053 3 0 "[ . 1 . 2]"
1 11 THR 2.283 0.086 14 0 "[ . 1 . 2]"
1 12 ARG 0.608 0.034 8 0 "[ . 1 . 2]"
1 13 LEU 1.983 0.096 8 0 "[ . 1 . 2]"
1 14 ARG 0.287 0.086 14 0 "[ . 1 . 2]"
1 15 LYS 0.111 0.059 3 0 "[ . 1 . 2]"
1 16 GLN 0.640 0.096 8 0 "[ . 1 . 2]"
1 17 MET 0.107 0.050 20 0 "[ . 1 . 2]"
1 18 ALA 0.058 0.025 19 0 "[ . 1 . 2]"
1 19 VAL 1.277 0.083 12 0 "[ . 1 . 2]"
1 20 LYS 0.258 0.088 20 0 "[ . 1 . 2]"
1 21 LYS 3.303 0.184 20 0 "[ . 1 . 2]"
1 22 TYR 0.790 0.067 20 0 "[ . 1 . 2]"
1 23 LEU 6.722 0.184 20 0 "[ . 1 . 2]"
1 24 ASN 0.525 0.033 8 0 "[ . 1 . 2]"
1 25 SER 0.486 0.033 8 0 "[ . 1 . 2]"
1 26 ILE 0.057 0.035 13 0 "[ . 1 . 2]"
1 27 LEU 2.023 0.100 6 0 "[ . 1 . 2]"
1 28 ASN 0.964 0.031 16 0 "[ . 1 . 2]"
1 29 GLY 0.090 0.015 13 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 HA 1 4 ALA MB . . 4.400 4.051 3.786 4.268 . 0 0 "[ . 1 . 2]" 1
2 1 3 ASP QB 1 4 ALA H . . 3.710 2.764 2.233 3.758 0.048 18 0 "[ . 1 . 2]" 1
3 1 3 ASP QB 1 4 ALA MB . . 4.480 3.992 3.218 4.703 0.223 18 0 "[ . 1 . 2]" 1
4 1 4 ALA H 1 4 ALA MB . . 2.950 2.478 2.040 2.946 . 0 0 "[ . 1 . 2]" 1
5 1 4 ALA H 1 5 VAL H . . 3.910 2.765 2.032 3.751 . 0 0 "[ . 1 . 2]" 1
6 1 4 ALA H 1 5 VAL MG1 . . 4.810 3.901 3.123 4.793 . 0 0 "[ . 1 . 2]" 1
7 1 4 ALA HA 1 5 VAL H . . 3.570 3.153 2.165 3.569 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 5 VAL MG1 . . 5.050 4.487 3.619 5.054 0.004 18 0 "[ . 1 . 2]" 1
9 1 4 ALA HA 1 6 PHE H . . 4.630 3.907 3.192 4.630 0.000 18 0 "[ . 1 . 2]" 1
10 1 4 ALA MB 1 5 VAL H . . 3.580 3.020 1.960 3.585 0.005 19 0 "[ . 1 . 2]" 1
11 1 4 ALA MB 1 5 VAL HA . . 4.500 3.994 3.671 4.325 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA MB 1 6 PHE H . . 4.510 4.346 3.867 4.512 0.002 19 0 "[ . 1 . 2]" 1
13 1 5 VAL H 1 5 VAL HB . . 3.270 2.662 2.546 2.937 . 0 0 "[ . 1 . 2]" 1
14 1 5 VAL H 1 5 VAL MG1 . . 3.120 1.974 1.872 2.158 . 0 0 "[ . 1 . 2]" 1
15 1 5 VAL H 1 5 VAL MG2 . . 3.850 3.769 3.759 3.795 . 0 0 "[ . 1 . 2]" 1
16 1 5 VAL H 1 6 PHE H . . 3.840 2.534 2.209 2.696 . 0 0 "[ . 1 . 2]" 1
17 1 5 VAL H 1 7 THR H . . 5.110 4.089 3.723 4.283 . 0 0 "[ . 1 . 2]" 1
18 1 5 VAL HA 1 5 VAL MG1 . . 3.210 3.196 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
19 1 5 VAL HA 1 5 VAL MG2 . . 3.220 2.388 2.282 2.431 . 0 0 "[ . 1 . 2]" 1
20 1 5 VAL HA 1 8 ASP H . . 4.290 3.743 3.710 3.813 . 0 0 "[ . 1 . 2]" 1
21 1 5 VAL HB 1 6 PHE H . . 4.220 4.030 3.928 4.224 0.004 16 0 "[ . 1 . 2]" 1
22 1 5 VAL MG1 1 6 PHE H . . 4.240 2.092 1.867 2.265 . 0 0 "[ . 1 . 2]" 1
23 1 5 VAL MG1 1 6 PHE HA . . 4.530 3.263 3.112 3.578 . 0 0 "[ . 1 . 2]" 1
24 1 5 VAL MG1 1 6 PHE HB2 . . 4.180 3.390 3.209 3.565 . 0 0 "[ . 1 . 2]" 1
25 1 5 VAL MG1 1 6 PHE HB3 . . 4.560 3.987 3.781 4.168 . 0 0 "[ . 1 . 2]" 1
26 1 5 VAL MG1 1 6 PHE QD . . 4.930 4.717 4.631 4.893 . 0 0 "[ . 1 . 2]" 1
27 1 5 VAL MG1 1 7 THR H . . 5.060 4.205 4.102 4.350 . 0 0 "[ . 1 . 2]" 1
28 1 5 VAL MG1 1 9 ASN HB2 . . 5.340 5.126 5.008 5.342 0.002 16 0 "[ . 1 . 2]" 1
29 1 5 VAL MG2 1 6 PHE H . . 3.730 3.636 3.380 3.746 0.016 16 0 "[ . 1 . 2]" 1
30 1 5 VAL MG2 1 6 PHE HA . . 4.310 3.633 3.375 3.787 . 0 0 "[ . 1 . 2]" 1
31 1 5 VAL MG2 1 6 PHE HB2 . . 5.120 4.937 4.569 5.107 . 0 0 "[ . 1 . 2]" 1
32 1 5 VAL MG2 1 6 PHE QD . . 5.410 5.176 4.973 5.299 . 0 0 "[ . 1 . 2]" 1
33 1 5 VAL MG2 1 7 THR H . . 4.710 4.495 4.401 4.639 . 0 0 "[ . 1 . 2]" 1
34 1 5 VAL MG2 1 7 THR HB . . 5.500 5.311 5.123 5.513 0.013 16 0 "[ . 1 . 2]" 1
35 1 5 VAL MG2 1 8 ASP H . . 4.740 3.948 3.738 4.189 . 0 0 "[ . 1 . 2]" 1
36 1 5 VAL MG2 1 9 ASN HB2 . . 4.750 4.631 4.522 4.745 . 0 0 "[ . 1 . 2]" 1
37 1 5 VAL MG2 1 9 ASN HD21 . . 4.530 4.081 3.765 4.385 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE H 1 6 PHE HB2 . . 3.450 2.613 2.592 2.662 . 0 0 "[ . 1 . 2]" 1
39 1 6 PHE H 1 6 PHE HB3 . . 3.770 2.451 2.408 2.471 . 0 0 "[ . 1 . 2]" 1
40 1 6 PHE H 1 6 PHE QD . . 4.230 4.168 4.167 4.172 . 0 0 "[ . 1 . 2]" 1
41 1 6 PHE H 1 7 THR H . . 4.450 2.696 2.532 2.711 . 0 0 "[ . 1 . 2]" 1
42 1 6 PHE H 1 9 ASN HB2 . . 5.310 5.336 5.306 5.354 0.044 18 0 "[ . 1 . 2]" 1
43 1 6 PHE HA 1 7 THR HB . . 5.500 5.527 5.520 5.533 0.033 7 0 "[ . 1 . 2]" 1
44 1 6 PHE HA 1 9 ASN HB2 . . 4.020 2.601 2.546 2.623 . 0 0 "[ . 1 . 2]" 1
45 1 6 PHE HA 1 10 TYR H . . 4.320 3.924 3.888 3.948 . 0 0 "[ . 1 . 2]" 1
46 1 6 PHE HB3 1 7 THR H . . 3.800 3.067 3.060 3.080 . 0 0 "[ . 1 . 2]" 1
47 1 6 PHE HB3 1 7 THR HB . . 5.500 5.344 5.328 5.370 . 0 0 "[ . 1 . 2]" 1
48 1 6 PHE QD 1 10 TYR HA . . 4.500 4.319 4.265 4.337 . 0 0 "[ . 1 . 2]" 1
49 1 6 PHE QE 1 10 TYR H . . 4.490 3.248 3.224 3.282 . 0 0 "[ . 1 . 2]" 1
50 1 6 PHE QE 1 10 TYR HA . . 4.030 2.775 2.700 2.803 . 0 0 "[ . 1 . 2]" 1
51 1 6 PHE QE 1 10 TYR QB . . 4.820 2.655 2.538 2.725 . 0 0 "[ . 1 . 2]" 1
52 1 6 PHE QE 1 13 LEU H . . 5.500 5.566 5.557 5.582 0.082 15 0 "[ . 1 . 2]" 1
53 1 7 THR H 1 7 THR HB . . 4.180 2.367 2.361 2.378 . 0 0 "[ . 1 . 2]" 1
54 1 7 THR H 1 7 THR MG . . 3.740 3.726 3.723 3.731 . 0 0 "[ . 1 . 2]" 1
55 1 7 THR H 1 8 ASP H . . 4.630 2.781 2.775 2.792 . 0 0 "[ . 1 . 2]" 1
56 1 7 THR H 1 8 ASP QB . . 5.340 5.026 4.478 5.140 . 0 0 "[ . 1 . 2]" 1
57 1 7 THR HA 1 7 THR MG . . 3.270 2.543 2.516 2.569 . 0 0 "[ . 1 . 2]" 1
58 1 7 THR HA 1 10 TYR QB . . 4.130 2.603 2.581 2.632 . 0 0 "[ . 1 . 2]" 1
59 1 7 THR HA 1 10 TYR QD . . 4.010 2.491 2.465 2.600 . 0 0 "[ . 1 . 2]" 1
60 1 7 THR HA 1 10 TYR QE . . 4.570 4.610 4.603 4.623 0.053 3 0 "[ . 1 . 2]" 1
61 1 7 THR HB 1 8 ASP H . . 4.540 2.757 2.725 2.769 . 0 0 "[ . 1 . 2]" 1
62 1 7 THR MG 1 8 ASP H . . 4.120 3.128 3.079 3.222 . 0 0 "[ . 1 . 2]" 1
63 1 7 THR MG 1 8 ASP HA . . 4.430 3.112 3.050 3.276 . 0 0 "[ . 1 . 2]" 1
64 1 7 THR MG 1 10 TYR QD . . 4.520 3.219 3.103 3.321 . 0 0 "[ . 1 . 2]" 1
65 1 7 THR MG 1 10 TYR QE . . 4.390 4.144 4.045 4.218 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASP H 1 9 ASN HB2 . . 5.500 4.524 4.519 4.533 . 0 0 "[ . 1 . 2]" 1
67 1 8 ASP H 1 9 ASN HD21 . . 4.640 4.492 4.392 4.646 0.006 13 0 "[ . 1 . 2]" 1
68 1 8 ASP HA 1 11 THR H . . 4.000 3.695 3.656 3.721 . 0 0 "[ . 1 . 2]" 1
69 1 8 ASP HA 1 11 THR HB . . 3.810 3.498 3.333 3.552 . 0 0 "[ . 1 . 2]" 1
70 1 8 ASP HA 1 11 THR MG . . 3.920 2.334 2.247 2.439 . 0 0 "[ . 1 . 2]" 1
71 1 8 ASP QB 1 9 ASN H . . 4.220 2.582 2.501 3.264 . 0 0 "[ . 1 . 2]" 1
72 1 8 ASP QB 1 9 ASN HD21 . . 3.890 2.730 2.551 3.329 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASP QB 1 11 THR H . . 5.340 5.083 5.031 5.192 . 0 0 "[ . 1 . 2]" 1
74 1 8 ASP QB 1 11 THR HB . . 5.340 5.320 5.198 5.359 0.019 13 0 "[ . 1 . 2]" 1
75 1 8 ASP QB 1 11 THR MG . . 4.070 3.675 3.599 3.890 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASN HA 1 9 ASN HD21 . . 4.470 2.486 2.197 2.702 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASN HA 1 12 ARG QB . . 4.150 3.894 3.848 3.926 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASN HA 1 12 ARG QD . . 3.690 2.609 2.449 3.352 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASN HB3 1 10 TYR H . . 4.740 3.330 3.314 3.361 . 0 0 "[ . 1 . 2]" 1
80 1 9 ASN HB3 1 11 THR H . . 5.500 5.549 5.528 5.580 0.080 14 0 "[ . 1 . 2]" 1
81 1 9 ASN HD21 1 12 ARG QD . . 4.740 4.600 4.212 4.742 0.002 13 0 "[ . 1 . 2]" 1
82 1 10 TYR H 1 10 TYR QD . . 4.260 3.922 3.820 3.968 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR H 1 11 THR H . . 4.210 2.626 2.584 2.647 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR H 1 11 THR HB . . 5.000 4.679 4.594 4.711 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR HA 1 10 TYR QD . . 3.710 2.788 2.694 3.029 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR HA 1 12 ARG QG . . 5.060 4.417 4.268 4.503 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR HA 1 13 LEU H . . 4.440 3.546 3.376 3.622 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR HA 1 13 LEU QB . . 3.840 2.527 2.360 2.656 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR HA 1 13 LEU QD . . 4.080 3.463 3.133 3.766 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR HA 1 13 LEU HG . . 5.380 4.458 3.952 4.975 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR HA 1 14 ARG QB . . 5.030 4.856 4.116 5.052 0.022 19 0 "[ . 1 . 2]" 1
92 1 10 TYR QB 1 11 THR H . . 4.260 2.739 2.710 2.768 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR QB 1 11 THR HA . . 5.340 4.510 4.497 4.521 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HB2 1 11 THR H . . 4.840 4.034 4.015 4.057 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR HB3 1 11 THR H . . 4.840 2.786 2.756 2.817 . 0 0 "[ . 1 . 2]" 1
96 1 11 THR H 1 11 THR MG . . 3.620 2.695 2.664 2.753 . 0 0 "[ . 1 . 2]" 1
97 1 11 THR HA 1 11 THR MG . . 3.120 3.140 3.134 3.147 0.027 14 0 "[ . 1 . 2]" 1
98 1 11 THR HA 1 14 ARG QB . . 4.260 2.945 2.765 3.383 . 0 0 "[ . 1 . 2]" 1
99 1 11 THR HA 1 14 ARG QD . . 4.080 2.951 1.993 4.166 0.086 14 0 "[ . 1 . 2]" 1
100 1 11 THR HA 1 14 ARG QG . . 3.990 3.367 1.965 3.935 . 0 0 "[ . 1 . 2]" 1
101 1 11 THR HB 1 12 ARG QG . . 5.120 5.109 4.955 5.147 0.027 16 0 "[ . 1 . 2]" 1
102 1 11 THR MG 1 12 ARG QB . . 3.590 2.768 2.737 2.849 . 0 0 "[ . 1 . 2]" 1
103 1 11 THR MG 1 12 ARG QD . . 4.670 4.673 4.582 4.704 0.034 8 0 "[ . 1 . 2]" 1
104 1 12 ARG H 1 12 ARG QG . . 4.130 2.011 1.851 2.065 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG HA 1 12 ARG QD . . 4.150 3.713 3.654 3.753 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG HA 1 15 LYS H . . 4.760 3.715 3.613 3.917 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG HA 1 15 LYS QD . . 3.770 2.584 1.985 3.289 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG QB 1 12 ARG QD . . 3.300 2.358 2.022 2.452 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG QB 1 13 LEU H . . 3.760 3.437 3.382 3.528 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG QD 1 13 LEU H . . 4.580 2.466 2.349 2.706 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG QD 1 13 LEU QB . . 3.770 2.579 2.324 3.123 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG QD 1 13 LEU MD1 . . 4.740 4.401 3.325 4.753 0.013 3 0 "[ . 1 . 2]" 1
113 1 12 ARG QD 1 13 LEU QD . . 3.890 3.376 3.131 3.792 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG QD 1 13 LEU MD2 . . 4.740 3.626 3.313 4.744 0.004 2 0 "[ . 1 . 2]" 1
115 1 12 ARG QG 1 13 LEU H . . 3.390 2.080 1.947 2.399 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU H 1 13 LEU HB2 . . 3.910 2.536 2.258 2.820 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU H 1 13 LEU QB . . 3.390 2.221 2.157 2.248 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU H 1 13 LEU HB3 . . 3.910 2.495 2.239 2.799 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU H 1 13 LEU MD1 . . 4.430 4.059 3.879 4.281 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU H 1 13 LEU QD . . 3.810 3.632 3.558 3.728 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU H 1 13 LEU MD2 . . 4.430 4.102 4.026 4.257 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU H 1 15 LYS QD . . 5.010 4.835 4.618 5.069 0.059 3 0 "[ . 1 . 2]" 1
123 1 13 LEU HA 1 13 LEU QD . . 3.100 2.004 1.903 2.245 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HA 1 16 GLN HG3 . . 3.990 3.295 2.801 3.815 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU QD 1 14 ARG H . . 4.340 3.295 2.794 4.062 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU QD 1 14 ARG HA . . 4.650 3.107 2.519 4.327 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU QD 1 16 GLN HA . . 4.620 4.501 4.398 4.629 0.009 3 0 "[ . 1 . 2]" 1
128 1 13 LEU QD 1 16 GLN HB2 . . 3.680 2.052 1.934 2.211 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU QD 1 16 GLN HE21 . . 5.120 4.942 4.490 5.123 0.003 3 0 "[ . 1 . 2]" 1
130 1 13 LEU QD 1 16 GLN HG2 . . 5.440 3.228 2.489 3.582 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU QD 1 16 GLN HG3 . . 5.430 2.666 2.333 2.920 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU QD 1 17 MET QG . . 4.160 2.766 2.049 4.076 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU MD1 1 16 GLN HB2 . . 4.540 3.363 1.936 4.564 0.024 10 0 "[ . 1 . 2]" 1
134 1 13 LEU MD2 1 16 GLN HB2 . . 4.540 2.576 2.004 4.620 0.080 14 0 "[ . 1 . 2]" 1
135 1 13 LEU HG 1 16 GLN HB2 . . 5.030 4.756 3.405 5.126 0.096 8 0 "[ . 1 . 2]" 1
136 1 14 ARG H 1 14 ARG QB . . 3.450 2.184 2.158 2.299 . 0 0 "[ . 1 . 2]" 1
137 1 14 ARG H 1 14 ARG QD . . 4.730 4.024 3.449 4.534 . 0 0 "[ . 1 . 2]" 1
138 1 14 ARG H 1 14 ARG QG . . 3.440 2.817 2.595 2.869 . 0 0 "[ . 1 . 2]" 1
139 1 14 ARG H 1 15 LYS H . . 4.120 2.706 2.685 2.777 . 0 0 "[ . 1 . 2]" 1
140 1 14 ARG HA 1 14 ARG QD . . 4.390 4.112 3.565 4.386 . 0 0 "[ . 1 . 2]" 1
141 1 14 ARG HA 1 14 ARG QG . . 3.530 2.787 2.118 3.420 . 0 0 "[ . 1 . 2]" 1
142 1 15 LYS H 1 15 LYS QB . . 3.820 2.273 2.212 2.653 . 0 0 "[ . 1 . 2]" 1
143 1 15 LYS H 1 15 LYS QD . . 4.330 3.461 3.313 3.694 . 0 0 "[ . 1 . 2]" 1
144 1 15 LYS H 1 15 LYS QG . . 3.800 2.641 1.850 2.798 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS H 1 16 GLN H . . 4.120 2.568 2.545 2.614 . 0 0 "[ . 1 . 2]" 1
146 1 15 LYS H 1 16 GLN HA . . 5.210 5.179 5.149 5.210 . 0 0 "[ . 1 . 2]" 1
147 1 15 LYS HA 1 15 LYS QD . . 4.470 4.299 4.276 4.356 . 0 0 "[ . 1 . 2]" 1
148 1 15 LYS HA 1 17 MET H . . 4.550 4.052 3.751 4.557 0.007 19 0 "[ . 1 . 2]" 1
149 1 15 LYS HA 1 18 ALA H . . 5.080 3.644 3.288 3.943 . 0 0 "[ . 1 . 2]" 1
150 1 15 LYS QE 1 16 GLN HE21 . . 4.330 3.015 2.506 4.317 . 0 0 "[ . 1 . 2]" 1
151 1 15 LYS QE 1 16 GLN HG2 . . 4.350 3.411 2.764 4.308 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS QE 1 16 GLN HG3 . . 5.500 4.696 3.922 5.525 0.025 19 0 "[ . 1 . 2]" 1
153 1 15 LYS QG 1 16 GLN HA . . 4.450 3.057 2.972 3.488 . 0 0 "[ . 1 . 2]" 1
154 1 15 LYS QG 1 16 GLN HB2 . . 4.300 3.818 3.679 4.005 . 0 0 "[ . 1 . 2]" 1
155 1 15 LYS QG 1 16 GLN HG2 . . 4.510 2.408 2.176 2.729 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLN H 1 16 GLN HB2 . . 3.680 2.405 2.236 2.550 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLN H 1 16 GLN HB3 . . 3.790 3.574 3.523 3.590 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLN H 1 16 GLN HE21 . . 4.630 3.293 2.626 4.090 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLN H 1 16 GLN HG2 . . 3.800 2.372 2.104 2.736 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLN H 1 17 MET H . . 4.640 2.676 2.539 2.766 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLN HA 1 16 GLN HG2 . . 3.530 2.893 2.574 3.142 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLN HA 1 18 ALA H . . 4.750 3.730 3.412 4.087 . 0 0 "[ . 1 . 2]" 1
163 1 16 GLN HB2 1 17 MET H . . 4.300 2.853 2.467 3.047 . 0 0 "[ . 1 . 2]" 1
164 1 16 GLN HB2 1 17 MET QG . . 4.530 3.731 3.416 4.065 . 0 0 "[ . 1 . 2]" 1
165 1 16 GLN HB3 1 16 GLN HE21 . . 4.610 3.587 3.185 3.790 . 0 0 "[ . 1 . 2]" 1
166 1 16 GLN HB3 1 16 GLN HE22 . . 4.340 4.177 3.836 4.339 . 0 0 "[ . 1 . 2]" 1
167 1 16 GLN HB3 1 17 MET QG . . 5.250 4.669 4.329 5.212 . 0 0 "[ . 1 . 2]" 1
168 1 16 GLN HE21 1 18 ALA MB . . 5.130 5.038 4.772 5.133 0.003 10 0 "[ . 1 . 2]" 1
169 1 16 GLN HE22 1 16 GLN HG2 . . 3.640 3.531 3.506 3.566 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLN HG2 1 17 MET H . . 4.860 4.506 4.170 4.791 . 0 0 "[ . 1 . 2]" 1
171 1 16 GLN HG3 1 17 MET H . . 5.330 5.106 4.816 5.284 . 0 0 "[ . 1 . 2]" 1
172 1 17 MET H 1 17 MET HG2 . . 4.660 2.822 1.899 3.822 . 0 0 "[ . 1 . 2]" 1
173 1 17 MET H 1 17 MET HG3 . . 4.660 2.584 1.899 3.442 . 0 0 "[ . 1 . 2]" 1
174 1 17 MET HA 1 17 MET HG2 . . 4.110 2.788 2.319 3.725 . 0 0 "[ . 1 . 2]" 1
175 1 17 MET HA 1 17 MET HG3 . . 4.110 3.361 2.700 3.845 . 0 0 "[ . 1 . 2]" 1
176 1 17 MET HA 1 20 LYS QB . . 3.850 2.980 2.094 3.307 . 0 0 "[ . 1 . 2]" 1
177 1 17 MET HA 1 20 LYS QE . . 4.000 3.076 1.846 3.993 . 0 0 "[ . 1 . 2]" 1
178 1 17 MET HA 1 20 LYS QG . . 4.040 2.360 1.922 4.090 0.050 20 0 "[ . 1 . 2]" 1
179 1 17 MET QB 1 18 ALA HA . . 4.380 4.009 3.893 4.405 0.025 19 0 "[ . 1 . 2]" 1
180 1 17 MET QB 1 20 LYS QG . . 4.650 3.341 2.886 4.659 0.009 20 0 "[ . 1 . 2]" 1
181 1 17 MET QG 1 20 LYS QE . . 4.720 3.517 1.974 4.730 0.010 2 0 "[ . 1 . 2]" 1
182 1 18 ALA H 1 18 ALA MB . . 3.270 2.180 2.099 2.229 . 0 0 "[ . 1 . 2]" 1
183 1 18 ALA H 1 19 VAL H . . 4.640 2.750 2.631 2.947 . 0 0 "[ . 1 . 2]" 1
184 1 18 ALA H 1 19 VAL HA . . 5.500 5.340 5.248 5.488 . 0 0 "[ . 1 . 2]" 1
185 1 18 ALA HA 1 21 LYS H . . 4.260 3.786 3.520 3.891 . 0 0 "[ . 1 . 2]" 1
186 1 18 ALA HA 1 21 LYS QB . . 3.830 2.988 2.797 3.080 . 0 0 "[ . 1 . 2]" 1
187 1 18 ALA HA 1 22 TYR H . . 4.810 4.759 4.646 4.825 0.015 2 0 "[ . 1 . 2]" 1
188 1 18 ALA MB 1 19 VAL H . . 3.430 2.505 2.303 2.745 . 0 0 "[ . 1 . 2]" 1
189 1 18 ALA MB 1 19 VAL MG2 . . 3.790 3.465 3.260 3.711 . 0 0 "[ . 1 . 2]" 1
190 1 18 ALA MB 1 20 LYS H . . 4.880 4.592 4.492 4.762 . 0 0 "[ . 1 . 2]" 1
191 1 19 VAL H 1 19 VAL HB . . 3.720 2.221 2.206 2.234 . 0 0 "[ . 1 . 2]" 1
192 1 19 VAL H 1 19 VAL MG1 . . 3.630 3.616 3.599 3.633 0.003 7 0 "[ . 1 . 2]" 1
193 1 19 VAL H 1 19 VAL MG2 . . 3.140 2.827 2.785 2.864 . 0 0 "[ . 1 . 2]" 1
194 1 19 VAL HA 1 19 VAL MG1 . . 3.200 2.628 2.606 2.648 . 0 0 "[ . 1 . 2]" 1
195 1 19 VAL HA 1 19 VAL MG2 . . 3.100 2.138 2.097 2.166 . 0 0 "[ . 1 . 2]" 1
196 1 19 VAL HA 1 22 TYR H . . 4.570 3.511 3.486 3.542 . 0 0 "[ . 1 . 2]" 1
197 1 19 VAL HA 1 22 TYR HB2 . . 5.500 5.236 5.205 5.260 . 0 0 "[ . 1 . 2]" 1
198 1 19 VAL HA 1 22 TYR HB3 . . 4.310 3.851 3.818 3.881 . 0 0 "[ . 1 . 2]" 1
199 1 19 VAL HA 1 22 TYR QD . . 4.130 1.976 1.967 1.979 . 0 0 "[ . 1 . 2]" 1
200 1 19 VAL HA 1 23 LEU HB3 . . 4.420 4.199 4.169 4.231 . 0 0 "[ . 1 . 2]" 1
201 1 19 VAL HB 1 20 LYS H . . 4.190 2.678 2.659 2.709 . 0 0 "[ . 1 . 2]" 1
202 1 19 VAL MG1 1 20 LYS H . . 4.010 2.720 2.650 2.784 . 0 0 "[ . 1 . 2]" 1
203 1 19 VAL MG1 1 22 TYR HB3 . . 5.380 5.169 5.112 5.244 . 0 0 "[ . 1 . 2]" 1
204 1 19 VAL MG1 1 23 LEU H . . 4.540 3.288 3.209 3.356 . 0 0 "[ . 1 . 2]" 1
205 1 19 VAL MG1 1 23 LEU HB2 . . 3.510 3.057 2.993 3.140 . 0 0 "[ . 1 . 2]" 1
206 1 19 VAL MG1 1 23 LEU HB3 . . 3.490 2.376 2.313 2.436 . 0 0 "[ . 1 . 2]" 1
207 1 19 VAL MG2 1 20 LYS H . . 4.080 4.049 4.039 4.065 . 0 0 "[ . 1 . 2]" 1
208 1 19 VAL MG2 1 22 TYR QD . . 3.920 3.186 3.119 3.246 . 0 0 "[ . 1 . 2]" 1
209 1 19 VAL MG2 1 22 TYR QE . . 3.940 1.938 1.913 1.954 . 0 0 "[ . 1 . 2]" 1
210 1 19 VAL MG2 1 23 LEU HB3 . . 4.540 4.603 4.593 4.623 0.083 12 0 "[ . 1 . 2]" 1
211 1 20 LYS H 1 20 LYS QB . . 3.730 2.189 2.148 2.306 . 0 0 "[ . 1 . 2]" 1
212 1 20 LYS H 1 20 LYS QG . . 4.270 2.912 2.573 3.955 . 0 0 "[ . 1 . 2]" 1
213 1 20 LYS H 1 21 LYS H . . 3.940 2.735 2.719 2.741 . 0 0 "[ . 1 . 2]" 1
214 1 20 LYS HA 1 20 LYS QG . . 3.850 3.240 2.710 3.430 . 0 0 "[ . 1 . 2]" 1
215 1 20 LYS HA 1 23 LEU MD1 . . 3.540 2.806 2.746 2.970 . 0 0 "[ . 1 . 2]" 1
216 1 20 LYS HA 1 23 LEU MD2 . . 4.260 1.889 1.838 1.952 . 0 0 "[ . 1 . 2]" 1
217 1 20 LYS QB 1 20 LYS QE . . 4.290 2.816 1.959 3.672 . 0 0 "[ . 1 . 2]" 1
218 1 20 LYS QD 1 21 LYS H . . 4.430 4.144 3.289 4.518 0.088 20 0 "[ . 1 . 2]" 1
219 1 20 LYS QG 1 21 LYS HA . . 3.850 3.026 2.878 3.312 . 0 0 "[ . 1 . 2]" 1
220 1 20 LYS QG 1 22 TYR H . . 5.160 4.682 4.561 5.227 0.067 20 0 "[ . 1 . 2]" 1
221 1 21 LYS H 1 21 LYS QB . . 3.090 2.217 2.162 2.249 . 0 0 "[ . 1 . 2]" 1
222 1 21 LYS H 1 21 LYS QD . . 5.120 4.246 3.773 4.575 . 0 0 "[ . 1 . 2]" 1
223 1 21 LYS H 1 21 LYS QG . . 4.330 3.679 2.619 4.046 . 0 0 "[ . 1 . 2]" 1
224 1 21 LYS H 1 22 TYR H . . 3.640 2.765 2.748 2.792 . 0 0 "[ . 1 . 2]" 1
225 1 21 LYS H 1 22 TYR HB3 . . 5.030 4.873 4.851 4.896 . 0 0 "[ . 1 . 2]" 1
226 1 21 LYS H 1 23 LEU MD2 . . 4.200 4.198 4.159 4.232 0.032 7 0 "[ . 1 . 2]" 1
227 1 21 LYS HA 1 21 LYS QG . . 3.870 2.557 2.208 3.039 . 0 0 "[ . 1 . 2]" 1
228 1 21 LYS HA 1 22 TYR HA . . 4.970 4.704 4.702 4.705 . 0 0 "[ . 1 . 2]" 1
229 1 21 LYS HA 1 23 LEU MD2 . . 4.280 4.429 4.408 4.464 0.184 20 0 "[ . 1 . 2]" 1
230 1 21 LYS HA 1 24 ASN H . . 4.400 3.952 3.926 3.974 . 0 0 "[ . 1 . 2]" 1
231 1 21 LYS HA 1 24 ASN QB . . 3.740 2.997 2.950 3.066 . 0 0 "[ . 1 . 2]" 1
232 1 21 LYS QB 1 21 LYS QD . . 2.770 2.336 2.080 2.604 . 0 0 "[ . 1 . 2]" 1
233 1 21 LYS QB 1 21 LYS QE . . 3.450 2.802 1.990 3.449 . 0 0 "[ . 1 . 2]" 1
234 1 21 LYS QB 1 22 TYR HB2 . . 5.480 5.014 4.900 5.246 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS QB 1 24 ASN QB . . 5.010 4.706 4.591 4.779 . 0 0 "[ . 1 . 2]" 1
236 1 21 LYS QD 1 24 ASN H . . 5.500 5.261 4.909 5.506 0.006 20 0 "[ . 1 . 2]" 1
237 1 21 LYS QE 1 21 LYS QG . . 3.080 2.201 2.059 2.523 . 0 0 "[ . 1 . 2]" 1
238 1 22 TYR H 1 22 TYR HB2 . . 4.130 3.532 3.529 3.534 . 0 0 "[ . 1 . 2]" 1
239 1 22 TYR H 1 22 TYR HB3 . . 3.730 2.245 2.240 2.250 . 0 0 "[ . 1 . 2]" 1
240 1 22 TYR H 1 22 TYR QD . . 4.030 3.082 3.068 3.099 . 0 0 "[ . 1 . 2]" 1
241 1 22 TYR H 1 22 TYR QE . . 5.100 4.912 4.898 4.927 . 0 0 "[ . 1 . 2]" 1
242 1 22 TYR H 1 23 LEU H . . 3.690 2.619 2.615 2.623 . 0 0 "[ . 1 . 2]" 1
243 1 22 TYR H 1 23 LEU MD2 . . 4.490 4.432 4.391 4.470 . 0 0 "[ . 1 . 2]" 1
244 1 22 TYR HA 1 22 TYR QD . . 3.940 3.446 3.438 3.453 . 0 0 "[ . 1 . 2]" 1
245 1 22 TYR HA 1 23 LEU MD2 . . 5.250 5.284 5.267 5.306 0.056 20 0 "[ . 1 . 2]" 1
246 1 22 TYR HA 1 26 ILE MG . . 4.300 3.665 3.541 3.790 . 0 0 "[ . 1 . 2]" 1
247 1 22 TYR HB2 1 23 LEU H . . 4.350 3.844 3.836 3.852 . 0 0 "[ . 1 . 2]" 1
248 1 22 TYR HB3 1 23 LEU H . . 4.450 3.429 3.415 3.445 . 0 0 "[ . 1 . 2]" 1
249 1 22 TYR QD 1 23 LEU H . . 4.250 2.885 2.878 2.891 . 0 0 "[ . 1 . 2]" 1
250 1 22 TYR QD 1 23 LEU HB2 . . 4.190 4.092 4.069 4.114 . 0 0 "[ . 1 . 2]" 1
251 1 22 TYR QD 1 23 LEU MD2 . . 5.000 4.841 4.808 4.864 . 0 0 "[ . 1 . 2]" 1
252 1 22 TYR QD 1 26 ILE MD . . 4.000 3.573 3.451 3.685 . 0 0 "[ . 1 . 2]" 1
253 1 22 TYR QD 1 26 ILE MG . . 3.830 1.904 1.859 1.982 . 0 0 "[ . 1 . 2]" 1
254 1 22 TYR QE 1 23 LEU H . . 4.610 3.683 3.673 3.693 . 0 0 "[ . 1 . 2]" 1
255 1 22 TYR QE 1 23 LEU MD1 . . 4.760 4.501 4.454 4.552 . 0 0 "[ . 1 . 2]" 1
256 1 22 TYR QE 1 26 ILE MD . . 3.840 2.907 2.830 3.019 . 0 0 "[ . 1 . 2]" 1
257 1 22 TYR QE 1 26 ILE MG . . 3.690 2.497 2.360 2.608 . 0 0 "[ . 1 . 2]" 1
258 1 23 LEU H 1 23 LEU HB3 . . 3.340 2.054 2.047 2.059 . 0 0 "[ . 1 . 2]" 1
259 1 23 LEU H 1 23 LEU MD1 . . 4.330 4.191 4.121 4.213 . 0 0 "[ . 1 . 2]" 1
260 1 23 LEU H 1 23 LEU MD2 . . 3.370 3.017 2.969 3.051 . 0 0 "[ . 1 . 2]" 1
261 1 23 LEU H 1 23 LEU HG . . 4.540 4.434 4.423 4.443 . 0 0 "[ . 1 . 2]" 1
262 1 23 LEU H 1 24 ASN H . . 3.870 2.742 2.711 2.757 . 0 0 "[ . 1 . 2]" 1
263 1 23 LEU HA 1 23 LEU MD1 . . 4.000 3.926 3.910 3.971 . 0 0 "[ . 1 . 2]" 1
264 1 23 LEU HA 1 23 LEU HG . . 3.890 3.191 3.176 3.213 . 0 0 "[ . 1 . 2]" 1
265 1 23 LEU HA 1 24 ASN QB . . 5.300 5.240 5.183 5.318 0.018 7 0 "[ . 1 . 2]" 1
266 1 23 LEU HA 1 26 ILE H . . 3.510 3.370 3.348 3.398 . 0 0 "[ . 1 . 2]" 1
267 1 23 LEU HA 1 26 ILE MG . . 3.200 1.990 1.938 2.046 . 0 0 "[ . 1 . 2]" 1
268 1 23 LEU HA 1 27 LEU H . . 4.170 2.660 2.603 2.712 . 0 0 "[ . 1 . 2]" 1
269 1 23 LEU HA 1 27 LEU HB3 . . 4.030 3.909 3.819 3.993 . 0 0 "[ . 1 . 2]" 1
270 1 23 LEU HA 1 27 LEU QD . . 3.600 3.540 3.433 3.608 0.008 1 0 "[ . 1 . 2]" 1
271 1 23 LEU HA 1 27 LEU HG . . 5.500 5.510 5.411 5.600 0.100 6 0 "[ . 1 . 2]" 1
272 1 23 LEU HB2 1 23 LEU MD1 . . 3.390 2.188 2.132 2.341 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU HB2 1 24 ASN H . . 4.450 4.234 4.201 4.258 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU HB2 1 27 LEU H . . 4.650 4.307 4.286 4.322 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU HB2 1 27 LEU HB2 . . 3.120 3.121 3.044 3.176 0.056 1 0 "[ . 1 . 2]" 1
276 1 23 LEU HB2 1 27 LEU QD . . 2.760 2.672 2.548 2.750 . 0 0 "[ . 1 . 2]" 1
277 1 23 LEU HB3 1 23 LEU MD2 . . 3.050 2.226 2.211 2.244 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU HB3 1 24 ASN H . . 3.770 3.220 3.173 3.260 . 0 0 "[ . 1 . 2]" 1
279 1 23 LEU MD2 1 24 ASN H . . 3.700 1.900 1.853 1.942 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU MD2 1 24 ASN HA . . 3.890 2.135 2.091 2.192 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU MD2 1 24 ASN QB . . 4.390 2.606 2.314 2.940 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU HG 1 27 LEU H . . 4.230 3.759 3.690 3.831 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HG 1 27 LEU HB3 . . 4.020 2.068 2.001 2.133 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU HG 1 27 LEU QD . . 4.140 2.227 2.043 2.300 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASN H 1 24 ASN QB . . 3.120 2.210 2.143 2.260 . 0 0 "[ . 1 . 2]" 1
286 1 24 ASN H 1 24 ASN HD21 . . 4.610 4.386 4.207 4.570 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASN H 1 25 SER H . . 3.710 2.532 2.506 2.536 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASN H 1 25 SER QB . . 4.650 4.325 4.301 4.341 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASN HA 1 24 ASN HD21 . . 4.500 2.043 1.894 2.282 . 0 0 "[ . 1 . 2]" 1
290 1 24 ASN HA 1 27 LEU H . . 4.480 4.187 4.154 4.229 . 0 0 "[ . 1 . 2]" 1
291 1 24 ASN HA 1 27 LEU HB2 . . 4.770 4.577 4.570 4.595 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASN HA 1 27 LEU HB3 . . 4.120 3.520 3.480 3.568 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASN HA 1 28 ASN HD21 . . 4.570 3.644 3.635 3.676 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASN HA 1 28 ASN HD22 . . 5.080 5.093 5.074 5.109 0.029 18 0 "[ . 1 . 2]" 1
295 1 24 ASN QB 1 25 SER H . . 3.630 2.793 2.762 2.826 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASN QB 1 25 SER HA . . 4.280 4.099 3.893 4.297 0.017 1 0 "[ . 1 . 2]" 1
297 1 24 ASN QB 1 25 SER QB . . 3.930 3.935 3.920 3.963 0.033 8 0 "[ . 1 . 2]" 1
298 1 24 ASN QB 1 26 ILE H . . 4.920 4.735 4.646 4.787 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASN QB 1 27 LEU H . . 5.500 5.465 5.442 5.490 . 0 0 "[ . 1 . 2]" 1
300 1 24 ASN QB 1 27 LEU HB3 . . 5.500 5.325 5.175 5.499 . 0 0 "[ . 1 . 2]" 1
301 1 24 ASN HD21 1 28 ASN H . . 4.400 4.241 4.072 4.357 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASN HD21 1 28 ASN HA . . 4.950 4.794 4.720 4.913 . 0 0 "[ . 1 . 2]" 1
303 1 24 ASN HD21 1 28 ASN HB2 . . 4.290 2.778 2.632 2.874 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASN HD21 1 28 ASN HB3 . . 4.520 2.004 1.914 2.155 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASN HD22 1 28 ASN HB2 . . 4.340 3.865 3.731 4.031 . 0 0 "[ . 1 . 2]" 1
306 1 24 ASN HD22 1 28 ASN HB3 . . 4.390 3.281 2.886 3.837 . 0 0 "[ . 1 . 2]" 1
307 1 25 SER H 1 25 SER QB . . 3.570 2.261 2.220 2.287 . 0 0 "[ . 1 . 2]" 1
308 1 25 SER H 1 26 ILE H . . 3.530 2.442 2.418 2.448 . 0 0 "[ . 1 . 2]" 1
309 1 25 SER H 1 26 ILE MG . . 4.000 3.383 3.340 3.396 . 0 0 "[ . 1 . 2]" 1
310 1 25 SER H 1 28 ASN HD21 . . 5.360 5.211 5.190 5.252 . 0 0 "[ . 1 . 2]" 1
311 1 25 SER HA 1 28 ASN HB3 . . 4.780 4.728 4.714 4.735 . 0 0 "[ . 1 . 2]" 1
312 1 25 SER HA 1 28 ASN HD21 . . 4.140 4.154 4.151 4.161 0.021 11 0 "[ . 1 . 2]" 1
313 1 25 SER HA 1 29 GLY H . . 4.290 3.992 3.920 4.294 0.004 13 0 "[ . 1 . 2]" 1
314 1 25 SER HA 1 29 GLY QA . . 3.970 2.794 2.564 3.740 . 0 0 "[ . 1 . 2]" 1
315 1 25 SER QB 1 26 ILE H . . 3.670 2.742 2.704 2.927 . 0 0 "[ . 1 . 2]" 1
316 1 25 SER QB 1 26 ILE MG . . 3.360 3.052 3.018 3.095 . 0 0 "[ . 1 . 2]" 1
317 1 26 ILE H 1 26 ILE HB . . 3.360 3.279 3.249 3.382 0.022 13 0 "[ . 1 . 2]" 1
318 1 26 ILE H 1 26 ILE MD . . 3.410 3.374 3.343 3.384 . 0 0 "[ . 1 . 2]" 1
319 1 26 ILE H 1 26 ILE HG12 . . 4.770 4.334 4.332 4.345 . 0 0 "[ . 1 . 2]" 1
320 1 26 ILE H 1 26 ILE QG . . 4.110 4.021 4.016 4.040 . 0 0 "[ . 1 . 2]" 1
321 1 26 ILE H 1 26 ILE HG13 . . 4.770 4.762 4.749 4.805 0.035 13 0 "[ . 1 . 2]" 1
322 1 26 ILE H 1 26 ILE MG . . 3.070 1.775 1.769 1.801 . 0 0 "[ . 1 . 2]" 1
323 1 26 ILE H 1 27 LEU H . . 3.470 2.358 2.278 2.386 . 0 0 "[ . 1 . 2]" 1
324 1 26 ILE H 1 27 LEU HB2 . . 4.460 4.364 4.270 4.419 . 0 0 "[ . 1 . 2]" 1
325 1 26 ILE HA 1 26 ILE MD . . 3.800 3.682 3.667 3.686 . 0 0 "[ . 1 . 2]" 1
326 1 26 ILE HA 1 26 ILE HG12 . . 3.750 2.751 2.748 2.757 . 0 0 "[ . 1 . 2]" 1
327 1 26 ILE HA 1 26 ILE HG13 . . 3.750 3.688 3.683 3.710 . 0 0 "[ . 1 . 2]" 1
328 1 26 ILE HA 1 26 ILE MG . . 3.610 3.122 3.120 3.124 . 0 0 "[ . 1 . 2]" 1
329 1 26 ILE HA 1 28 ASN H . . 4.460 4.263 4.141 4.418 . 0 0 "[ . 1 . 2]" 1
330 1 26 ILE HB 1 26 ILE MD . . 3.270 3.155 3.154 3.160 . 0 0 "[ . 1 . 2]" 1
331 1 26 ILE HB 1 27 LEU H . . 4.130 3.910 3.899 3.914 . 0 0 "[ . 1 . 2]" 1
332 1 26 ILE MD 1 27 LEU H . . 4.330 1.842 1.823 1.848 . 0 0 "[ . 1 . 2]" 1
333 1 26 ILE MD 1 27 LEU HB2 . . 3.810 2.307 2.281 2.336 . 0 0 "[ . 1 . 2]" 1
334 1 26 ILE QG 1 26 ILE MG . . 3.100 2.493 2.477 2.497 . 0 0 "[ . 1 . 2]" 1
335 1 26 ILE HG12 1 27 LEU H . . 4.480 3.437 3.432 3.443 . 0 0 "[ . 1 . 2]" 1
336 1 26 ILE HG13 1 27 LEU H . . 4.480 4.172 4.129 4.183 . 0 0 "[ . 1 . 2]" 1
337 1 26 ILE MG 1 27 LEU H . . 2.970 1.797 1.791 1.809 . 0 0 "[ . 1 . 2]" 1
338 1 26 ILE MG 1 27 LEU HA . . 4.260 4.091 4.086 4.104 . 0 0 "[ . 1 . 2]" 1
339 1 26 ILE MG 1 27 LEU HB2 . . 3.530 3.190 3.179 3.213 . 0 0 "[ . 1 . 2]" 1
340 1 26 ILE MG 1 28 ASN H . . 4.360 3.893 3.885 3.906 . 0 0 "[ . 1 . 2]" 1
341 1 26 ILE MG 1 29 GLY H . . 4.610 4.527 4.504 4.598 . 0 0 "[ . 1 . 2]" 1
342 1 27 LEU H 1 27 LEU HB2 . . 3.050 2.171 2.150 2.188 . 0 0 "[ . 1 . 2]" 1
343 1 27 LEU H 1 27 LEU HB3 . . 3.330 2.911 2.887 2.942 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU H 1 27 LEU QD . . 4.200 3.503 3.324 3.655 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU H 1 27 LEU HG . . 4.710 4.398 4.211 4.622 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU H 1 28 ASN H . . 2.860 2.599 2.594 2.613 . 0 0 "[ . 1 . 2]" 1
347 1 27 LEU H 1 28 ASN HA . . 5.430 5.242 5.233 5.258 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU H 1 28 ASN HB2 . . 5.500 5.500 5.487 5.516 0.016 18 0 "[ . 1 . 2]" 1
349 1 27 LEU H 1 28 ASN HB3 . . 4.910 4.862 4.831 4.874 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU HA 1 27 LEU MD1 . . 4.420 2.761 1.883 3.584 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU HA 1 27 LEU QD . . 2.920 2.405 1.878 2.921 0.001 18 0 "[ . 1 . 2]" 1
352 1 27 LEU HA 1 27 LEU MD2 . . 4.420 3.399 3.008 3.814 . 0 0 "[ . 1 . 2]" 1
353 1 27 LEU HA 1 27 LEU HG . . 3.820 2.563 2.263 3.019 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU HB2 1 27 LEU QD . . 3.070 2.008 1.961 2.121 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU HB2 1 28 ASN H . . 3.670 3.674 3.627 3.701 0.031 16 0 "[ . 1 . 2]" 1
356 1 27 LEU HB2 1 29 GLY H . . 5.290 5.284 5.249 5.305 0.015 13 0 "[ . 1 . 2]" 1
357 1 27 LEU HB3 1 28 ASN H . . 3.740 2.913 2.791 3.019 . 0 0 "[ . 1 . 2]" 1
358 1 27 LEU QD 1 28 ASN H . . 4.790 4.025 3.713 4.284 . 0 0 "[ . 1 . 2]" 1
359 1 28 ASN H 1 28 ASN HB2 . . 3.400 3.260 3.214 3.308 . 0 0 "[ . 1 . 2]" 1
360 1 28 ASN H 1 28 ASN HB3 . . 3.750 2.539 2.498 2.585 . 0 0 "[ . 1 . 2]" 1
361 1 28 ASN H 1 29 GLY H . . 2.690 2.106 2.013 2.236 . 0 0 "[ . 1 . 2]" 1
362 1 28 ASN H 1 29 GLY QA . . 4.270 3.877 3.759 4.039 . 0 0 "[ . 1 . 2]" 1
363 1 28 ASN HA 1 28 ASN HD22 . . 4.910 4.585 4.573 4.606 . 0 0 "[ . 1 . 2]" 1
364 1 28 ASN HA 1 29 GLY H . . 3.350 3.161 3.122 3.175 . 0 0 "[ . 1 . 2]" 1
365 1 28 ASN HB3 1 28 ASN HD22 . . 3.570 3.481 3.474 3.484 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLY H 1 29 GLY QA . . 2.730 2.303 2.190 2.454 . 0 0 "[ . 1 . 2]" 1
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