NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
392377 |
1pv0   |
5847 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pv0
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 611
_Distance_constraint_stats_list.Viol_count 1245
_Distance_constraint_stats_list.Viol_total 1542.737
_Distance_constraint_stats_list.Viol_max 0.170
_Distance_constraint_stats_list.Viol_rms 0.0166
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0496
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 1.101 0.118 19 0 "[ . 1 . 2 .]"
1 4 LEU 0.925 0.071 10 0 "[ . 1 . 2 .]"
1 5 SER 3.114 0.131 20 0 "[ . 1 . 2 .]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 GLU 5.573 0.131 20 0 "[ . 1 . 2 .]"
1 8 LEU 4.704 0.143 22 0 "[ . 1 . 2 .]"
1 9 LEU 4.412 0.081 11 0 "[ . 1 . 2 .]"
1 10 ILE 6.562 0.150 9 0 "[ . 1 . 2 .]"
1 11 GLU 5.287 0.116 14 0 "[ . 1 . 2 .]"
1 12 SER 5.293 0.150 9 0 "[ . 1 . 2 .]"
1 13 TYR 1.090 0.061 21 0 "[ . 1 . 2 .]"
1 14 PHE 8.755 0.109 21 0 "[ . 1 . 2 .]"
1 15 LYS 1.706 0.116 14 0 "[ . 1 . 2 .]"
1 16 ALA 1.705 0.097 21 0 "[ . 1 . 2 .]"
1 17 THR 0.778 0.046 11 0 "[ . 1 . 2 .]"
1 18 GLU 3.295 0.125 21 0 "[ . 1 . 2 .]"
1 19 MET 9.607 0.127 7 0 "[ . 1 . 2 .]"
1 20 ASN 1.468 0.081 12 0 "[ . 1 . 2 .]"
1 21 LEU 1.685 0.103 22 0 "[ . 1 . 2 .]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 ARG 1.531 0.072 1 0 "[ . 1 . 2 .]"
1 24 ASP 3.319 0.072 1 0 "[ . 1 . 2 .]"
1 25 PHE 1.979 0.085 15 0 "[ . 1 . 2 .]"
1 26 ILE 2.493 0.085 15 0 "[ . 1 . 2 .]"
1 27 GLU 3.537 0.060 20 0 "[ . 1 . 2 .]"
1 28 LEU 3.498 0.118 19 0 "[ . 1 . 2 .]"
1 29 ILE 1.171 0.057 5 0 "[ . 1 . 2 .]"
1 30 GLU 1.326 0.064 17 0 "[ . 1 . 2 .]"
1 31 ASN 2.977 0.067 17 0 "[ . 1 . 2 .]"
1 32 GLU 2.393 0.085 4 0 "[ . 1 . 2 .]"
1 33 ILE 4.157 0.085 4 0 "[ . 1 . 2 .]"
1 34 LYS 2.818 0.078 16 0 "[ . 1 . 2 .]"
1 35 ARG 0.810 0.045 17 0 "[ . 1 . 2 .]"
1 36 ARG 1.083 0.065 9 0 "[ . 1 . 2 .]"
1 37 SER 0.550 0.056 15 0 "[ . 1 . 2 .]"
1 38 LEU 0.087 0.031 22 0 "[ . 1 . 2 .]"
1 39 GLY 3.022 0.170 16 0 "[ . 1 . 2 .]"
1 40 HIS 0.900 0.144 12 0 "[ . 1 . 2 .]"
1 41 ILE 1.851 0.091 3 0 "[ . 1 . 2 .]"
1 42 ILE 3.050 0.170 16 0 "[ . 1 . 2 .]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 VAL 0.813 0.077 20 0 "[ . 1 . 2 .]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET ME 4.165 . 6.530 2.288 1.902 4.352 . 0 0 "[ . 1 . 2 .]" 1
2 1 1 MET HA 1 4 LEU HG 2.860 . 3.920 3.922 3.610 3.991 0.071 10 0 "[ . 1 . 2 .]" 1
3 1 1 MET HA 1 4 LEU QD 4.490 . 7.180 3.024 1.847 3.918 . 0 0 "[ . 1 . 2 .]" 1
4 1 1 MET HA 1 28 LEU MD1 3.700 . 5.600 4.450 4.403 4.544 . 0 0 "[ . 1 . 2 .]" 1
5 1 1 MET HA 1 28 LEU MD2 3.700 . 5.600 3.714 3.457 4.044 . 0 0 "[ . 1 . 2 .]" 1
6 1 1 MET HA 1 28 LEU QD 3.470 . 5.140 3.534 3.344 3.753 . 0 0 "[ . 1 . 2 .]" 1
7 1 1 MET HB2 1 28 LEU MD1 5.705 . 9.610 4.390 2.580 5.869 . 0 0 "[ . 1 . 2 .]" 1
8 1 1 MET HB2 1 28 LEU MD2 5.705 . 9.610 4.276 1.997 5.703 . 0 0 "[ . 1 . 2 .]" 1
9 1 1 MET HB3 1 28 LEU MD1 5.705 . 9.610 4.463 3.218 6.492 . 0 0 "[ . 1 . 2 .]" 1
10 1 1 MET HB3 1 28 LEU MD2 5.705 . 9.610 4.521 3.398 5.612 . 0 0 "[ . 1 . 2 .]" 1
11 1 1 MET QB 1 28 LEU QD 4.735 . 7.670 3.308 1.974 4.227 . 0 0 "[ . 1 . 2 .]" 1
12 1 1 MET HG2 1 28 LEU MD1 4.430 . 7.060 3.592 2.215 5.751 . 0 0 "[ . 1 . 2 .]" 1
13 1 1 MET HG2 1 28 LEU MD2 4.430 . 7.060 3.435 1.964 5.263 . 0 0 "[ . 1 . 2 .]" 1
14 1 1 MET HG3 1 28 LEU MD1 4.430 . 7.060 3.524 2.195 5.469 . 0 0 "[ . 1 . 2 .]" 1
15 1 1 MET HG3 1 28 LEU MD2 4.430 . 7.060 3.372 1.971 5.193 . 0 0 "[ . 1 . 2 .]" 1
16 1 1 MET QG 1 28 LEU QD 3.905 . 6.010 2.550 1.781 3.790 0.019 8 0 "[ . 1 . 2 .]" 1
17 1 1 MET ME 1 12 SER QB 4.610 . 7.420 3.941 2.147 5.557 . 0 0 "[ . 1 . 2 .]" 1
18 1 1 MET ME 1 25 PHE HA 4.165 . 6.530 4.989 4.584 5.329 . 0 0 "[ . 1 . 2 .]" 1
19 1 1 MET ME 1 25 PHE QD 4.820 . 7.840 4.076 3.538 4.927 . 0 0 "[ . 1 . 2 .]" 1
20 1 1 MET ME 1 25 PHE HZ 4.070 . 6.340 3.230 2.164 5.173 . 0 0 "[ . 1 . 2 .]" 1
21 1 1 MET ME 1 28 LEU QD 4.890 . 7.980 1.961 1.682 2.654 0.118 19 0 "[ . 1 . 2 .]" 1
22 1 1 MET ME 1 29 ILE HA 3.530 . 5.260 3.746 2.075 4.373 . 0 0 "[ . 1 . 2 .]" 1
23 1 1 MET ME 1 29 ILE MG 4.290 . 6.780 3.815 2.650 4.491 . 0 0 "[ . 1 . 2 .]" 1
24 1 1 MET ME 1 29 ILE QG 4.145 . 6.490 2.825 1.839 3.713 . 0 0 "[ . 1 . 2 .]" 1
25 1 1 MET ME 1 29 ILE MD 4.570 . 7.340 3.780 2.427 4.971 . 0 0 "[ . 1 . 2 .]" 1
26 1 4 LEU H 1 4 LEU QB 2.770 . 3.740 2.990 2.692 3.449 . 0 0 "[ . 1 . 2 .]" 1
27 1 4 LEU H 1 4 LEU HG 2.970 . 4.140 2.795 2.071 4.148 0.008 15 0 "[ . 1 . 2 .]" 1
28 1 4 LEU HA 1 8 LEU MD1 4.165 . 6.530 5.216 5.024 5.345 . 0 0 "[ . 1 . 2 .]" 1
29 1 4 LEU HA 1 8 LEU MD2 4.165 . 6.530 4.839 4.450 5.030 . 0 0 "[ . 1 . 2 .]" 1
30 1 4 LEU HA 1 8 LEU QD 3.855 . 5.910 4.454 4.167 4.527 . 0 0 "[ . 1 . 2 .]" 1
31 1 4 LEU HB2 1 5 SER H 2.705 . 3.610 3.492 2.652 3.656 0.046 15 0 "[ . 1 . 2 .]" 1
32 1 4 LEU HB3 1 5 SER H 2.705 . 3.610 3.040 2.545 3.623 0.013 1 0 "[ . 1 . 2 .]" 1
33 1 4 LEU HG 1 5 SER H 3.650 . 5.500 5.164 4.927 5.304 . 0 0 "[ . 1 . 2 .]" 1
34 1 4 LEU QD 1 5 SER H 4.305 . 6.810 3.768 3.352 3.924 . 0 0 "[ . 1 . 2 .]" 1
35 1 4 LEU QD 1 8 LEU H 4.695 . 7.590 4.989 4.277 5.493 . 0 0 "[ . 1 . 2 .]" 1
36 1 4 LEU QD 1 8 LEU HB2 4.245 . 6.690 3.611 3.338 4.065 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 SER H 1 5 SER QB 2.730 . 3.660 2.615 2.263 2.866 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 SER H 1 8 LEU QD 4.935 . 8.070 3.343 3.129 3.529 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 SER HA 1 6 ASP H 2.255 . 2.710 2.383 2.280 2.426 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 SER HA 1 7 GLU H 2.875 . 3.950 4.048 3.997 4.081 0.131 20 0 "[ . 1 . 2 .]" 1
41 1 5 SER HA 1 8 LEU H 3.140 . 4.480 4.462 4.375 4.534 0.054 3 0 "[ . 1 . 2 .]" 1
42 1 5 SER HB2 1 6 ASP H 2.795 . 3.790 3.410 2.505 3.780 . 0 0 "[ . 1 . 2 .]" 1
43 1 5 SER HB3 1 6 ASP H 2.795 . 3.790 2.776 2.410 3.702 . 0 0 "[ . 1 . 2 .]" 1
44 1 5 SER QB 1 7 GLU H 3.320 . 4.840 2.463 2.303 2.838 . 0 0 "[ . 1 . 2 .]" 1
45 1 6 ASP H 1 6 ASP HA 2.365 . 2.930 2.802 2.778 2.821 . 0 0 "[ . 1 . 2 .]" 1
46 1 6 ASP H 1 6 ASP HB2 2.440 . 3.080 2.984 2.864 3.066 . 0 0 "[ . 1 . 2 .]" 1
47 1 6 ASP H 1 7 GLU H 2.720 . 3.640 2.661 2.593 2.723 . 0 0 "[ . 1 . 2 .]" 1
48 1 6 ASP HA 1 9 LEU H 3.540 . 5.280 3.268 3.186 3.374 . 0 0 "[ . 1 . 2 .]" 1
49 1 6 ASP HA 1 9 LEU QB 3.165 . 4.530 2.303 2.004 2.577 . 0 0 "[ . 1 . 2 .]" 1
50 1 6 ASP HA 1 38 LEU MD2 3.670 . 5.540 3.221 2.423 3.523 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 ASP HB2 1 7 GLU H 2.470 . 3.140 3.055 2.932 3.131 . 0 0 "[ . 1 . 2 .]" 1
52 1 6 ASP HB2 1 10 ILE MD 4.165 . 6.530 2.451 2.343 2.599 . 0 0 "[ . 1 . 2 .]" 1
53 1 6 ASP HB2 1 38 LEU MD2 4.165 . 6.530 3.059 2.838 3.581 . 0 0 "[ . 1 . 2 .]" 1
54 1 6 ASP HB2 1 41 ILE QG 3.630 . 5.460 4.657 4.620 4.700 . 0 0 "[ . 1 . 2 .]" 1
55 1 6 ASP HB3 1 7 GLU H 3.650 . 5.500 4.200 4.110 4.254 . 0 0 "[ . 1 . 2 .]" 1
56 1 6 ASP HB3 1 10 ILE MD 3.885 . 5.970 1.945 1.857 2.012 . 0 0 "[ . 1 . 2 .]" 1
57 1 6 ASP HB3 1 38 LEU MD1 3.900 . 6.000 3.403 2.032 3.947 . 0 0 "[ . 1 . 2 .]" 1
58 1 6 ASP HB3 1 38 LEU MD2 3.465 . 5.130 1.880 1.844 1.955 . 0 0 "[ . 1 . 2 .]" 1
59 1 6 ASP HB3 1 41 ILE QG 3.895 . 5.990 4.286 3.867 4.585 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 GLU H 1 7 GLU QG 4.065 . 6.330 3.438 3.146 3.846 . 0 0 "[ . 1 . 2 .]" 1
61 1 7 GLU H 1 8 LEU H 2.455 . 3.110 2.484 2.413 2.620 . 0 0 "[ . 1 . 2 .]" 1
62 1 7 GLU H 1 10 ILE MD 4.165 . 6.530 4.105 3.899 4.237 . 0 0 "[ . 1 . 2 .]" 1
63 1 7 GLU HA 1 8 LEU H 2.625 . 3.450 3.500 3.486 3.520 0.070 3 0 "[ . 1 . 2 .]" 1
64 1 7 GLU HA 1 10 ILE H 2.765 . 3.730 3.782 3.757 3.808 0.078 1 0 "[ . 1 . 2 .]" 1
65 1 7 GLU HA 1 10 ILE HB 2.440 . 3.080 3.081 3.027 3.110 0.030 12 0 "[ . 1 . 2 .]" 1
66 1 7 GLU HA 1 10 ILE MG 3.575 . 5.350 4.361 4.284 4.402 . 0 0 "[ . 1 . 2 .]" 1
67 1 7 GLU HA 1 10 ILE QG 4.095 . 6.390 4.468 4.397 4.509 . 0 0 "[ . 1 . 2 .]" 1
68 1 7 GLU HA 1 10 ILE MD 3.390 . 4.980 3.427 3.064 3.600 . 0 0 "[ . 1 . 2 .]" 1
69 1 7 GLU HA 1 11 GLU H 2.860 . 3.920 3.810 3.690 3.965 0.045 3 0 "[ . 1 . 2 .]" 1
70 1 7 GLU HB2 1 8 LEU H 2.485 . 3.170 3.077 2.895 3.179 0.009 11 0 "[ . 1 . 2 .]" 1
71 1 7 GLU HB2 1 8 LEU MD1 5.445 . 9.090 5.232 3.041 5.648 . 0 0 "[ . 1 . 2 .]" 1
72 1 7 GLU HB2 1 8 LEU MD2 5.445 . 9.090 3.455 2.937 5.983 . 0 0 "[ . 1 . 2 .]" 1
73 1 7 GLU HB3 1 8 LEU H 2.485 . 3.170 3.172 3.031 3.197 0.027 16 0 "[ . 1 . 2 .]" 1
74 1 7 GLU HB3 1 8 LEU MD1 5.445 . 9.090 4.340 2.684 4.673 . 0 0 "[ . 1 . 2 .]" 1
75 1 7 GLU HB3 1 8 LEU MD2 5.445 . 9.090 2.923 2.471 5.476 . 0 0 "[ . 1 . 2 .]" 1
76 1 7 GLU QB 1 8 LEU QD 4.620 . 7.440 2.471 2.385 2.690 . 0 0 "[ . 1 . 2 .]" 1
77 1 7 GLU QG 1 8 LEU H 4.095 . 6.390 4.478 4.387 4.563 . 0 0 "[ . 1 . 2 .]" 1
78 1 8 LEU H 1 8 LEU HA 2.365 . 2.930 2.883 2.877 2.888 . 0 0 "[ . 1 . 2 .]" 1
79 1 8 LEU H 1 9 LEU H 2.365 . 2.930 2.374 2.331 2.416 . 0 0 "[ . 1 . 2 .]" 1
80 1 8 LEU H 1 10 ILE H 2.935 . 4.070 3.974 3.875 4.073 0.003 14 0 "[ . 1 . 2 .]" 1
81 1 8 LEU HA 1 8 LEU HG 2.660 . 3.520 3.484 2.215 3.663 0.143 22 0 "[ . 1 . 2 .]" 1
82 1 8 LEU HA 1 8 LEU MD1 3.000 . 4.200 2.216 1.965 2.991 . 0 0 "[ . 1 . 2 .]" 1
83 1 8 LEU HA 1 8 LEU MD2 3.000 . 4.200 2.517 2.209 3.580 . 0 0 "[ . 1 . 2 .]" 1
84 1 8 LEU HA 1 8 LEU QD 2.790 . 3.780 2.074 1.874 2.842 . 0 0 "[ . 1 . 2 .]" 1
85 1 8 LEU HB2 1 9 LEU H 2.845 . 3.890 2.863 2.780 2.937 . 0 0 "[ . 1 . 2 .]" 1
86 1 8 LEU MD1 1 11 GLU HB2 4.165 . 6.530 3.831 3.538 4.472 . 0 0 "[ . 1 . 2 .]" 1
87 1 8 LEU MD1 1 11 GLU HB3 4.165 . 6.530 4.497 4.138 5.453 . 0 0 "[ . 1 . 2 .]" 1
88 1 8 LEU MD1 1 11 GLU QG 4.610 . 7.420 4.323 3.776 4.890 . 0 0 "[ . 1 . 2 .]" 1
89 1 8 LEU MD2 1 11 GLU HB2 4.165 . 6.530 4.281 4.124 5.012 . 0 0 "[ . 1 . 2 .]" 1
90 1 8 LEU MD2 1 11 GLU HB3 4.165 . 6.530 5.267 5.231 5.402 . 0 0 "[ . 1 . 2 .]" 1
91 1 8 LEU MD2 1 11 GLU QG 4.610 . 7.420 4.331 3.796 5.335 . 0 0 "[ . 1 . 2 .]" 1
92 1 8 LEU QD 1 9 LEU H 4.550 . 7.300 3.851 3.799 3.903 . 0 0 "[ . 1 . 2 .]" 1
93 1 9 LEU H 1 9 LEU QB 2.660 . 3.520 2.230 2.207 2.254 . 0 0 "[ . 1 . 2 .]" 1
94 1 9 LEU H 1 9 LEU MD1 3.730 . 5.660 4.152 3.817 4.254 . 0 0 "[ . 1 . 2 .]" 1
95 1 9 LEU H 1 9 LEU MD2 3.870 . 5.940 4.220 4.181 4.289 . 0 0 "[ . 1 . 2 .]" 1
96 1 9 LEU H 1 10 ILE H 2.470 . 3.140 2.542 2.503 2.632 . 0 0 "[ . 1 . 2 .]" 1
97 1 9 LEU HA 1 9 LEU MD2 3.250 . 4.700 3.934 3.815 3.977 . 0 0 "[ . 1 . 2 .]" 1
98 1 9 LEU HA 1 10 ILE H 2.640 . 3.480 3.534 3.517 3.546 0.066 14 0 "[ . 1 . 2 .]" 1
99 1 9 LEU HA 1 10 ILE HA 3.230 . 4.660 4.691 4.669 4.702 0.042 2 0 "[ . 1 . 2 .]" 1
100 1 9 LEU HA 1 11 GLU H 3.155 . 4.510 4.396 4.316 4.522 0.012 15 0 "[ . 1 . 2 .]" 1
101 1 9 LEU HA 1 12 SER H 2.660 . 3.520 3.552 3.537 3.573 0.053 9 0 "[ . 1 . 2 .]" 1
102 1 9 LEU HG 1 10 ILE H 3.140 . 4.480 3.728 3.528 4.427 . 0 0 "[ . 1 . 2 .]" 1
103 1 9 LEU HG 1 10 ILE HA 3.650 . 5.500 3.653 3.473 4.437 . 0 0 "[ . 1 . 2 .]" 1
104 1 9 LEU HG 1 33 ILE QG 3.785 . 5.770 2.245 1.925 2.471 . 0 0 "[ . 1 . 2 .]" 1
105 1 9 LEU HG 1 33 ILE MD 3.775 . 5.750 2.220 2.043 2.376 . 0 0 "[ . 1 . 2 .]" 1
106 1 9 LEU MD1 1 32 GLU QB 4.235 . 6.670 2.253 1.999 2.583 . 0 0 "[ . 1 . 2 .]" 1
107 1 9 LEU MD1 1 32 GLU HG2 3.545 . 5.290 2.559 2.181 3.827 . 0 0 "[ . 1 . 2 .]" 1
108 1 9 LEU MD1 1 32 GLU HG3 3.545 . 5.290 3.692 3.186 4.204 . 0 0 "[ . 1 . 2 .]" 1
109 1 9 LEU MD1 1 33 ILE H 4.165 . 6.530 3.760 3.563 4.082 . 0 0 "[ . 1 . 2 .]" 1
110 1 9 LEU MD1 1 33 ILE HA 3.805 . 5.810 4.737 4.616 4.808 . 0 0 "[ . 1 . 2 .]" 1
111 1 9 LEU MD1 1 33 ILE HG12 3.575 . 5.350 3.925 3.673 4.052 . 0 0 "[ . 1 . 2 .]" 1
112 1 9 LEU MD1 1 33 ILE HG13 3.575 . 5.350 2.985 2.699 3.288 . 0 0 "[ . 1 . 2 .]" 1
113 1 9 LEU MD1 1 33 ILE QG 3.415 . 5.030 2.897 2.634 3.152 . 0 0 "[ . 1 . 2 .]" 1
114 1 9 LEU MD1 1 33 ILE MD 4.680 . 7.560 3.350 3.016 3.558 . 0 0 "[ . 1 . 2 .]" 1
115 1 9 LEU MD1 1 36 ARG QD 4.610 . 7.420 4.290 3.680 5.164 . 0 0 "[ . 1 . 2 .]" 1
116 1 9 LEU MD2 1 32 GLU QB 4.530 . 7.260 2.278 1.964 2.594 . 0 0 "[ . 1 . 2 .]" 1
117 1 9 LEU MD2 1 32 GLU HG2 3.760 . 5.720 2.610 1.893 3.130 . 0 0 "[ . 1 . 2 .]" 1
118 1 9 LEU MD2 1 32 GLU HG3 3.760 . 5.720 2.979 2.256 4.081 . 0 0 "[ . 1 . 2 .]" 1
119 1 9 LEU MD2 1 32 GLU QG 3.685 . 5.570 2.387 1.882 3.035 . 0 0 "[ . 1 . 2 .]" 1
120 1 9 LEU MD2 1 33 ILE H 3.715 . 5.630 2.881 2.658 3.100 . 0 0 "[ . 1 . 2 .]" 1
121 1 9 LEU MD2 1 33 ILE HA 2.970 . 4.140 2.655 2.408 2.764 . 0 0 "[ . 1 . 2 .]" 1
122 1 9 LEU MD2 1 33 ILE HG12 3.325 . 4.850 1.980 1.927 2.156 . 0 0 "[ . 1 . 2 .]" 1
123 1 9 LEU MD2 1 33 ILE HG13 3.325 . 4.850 1.939 1.911 1.996 . 0 0 "[ . 1 . 2 .]" 1
124 1 9 LEU MD2 1 33 ILE QG 3.200 . 4.600 1.744 1.719 1.825 0.081 11 0 "[ . 1 . 2 .]" 1
125 1 9 LEU MD2 1 33 ILE MD 4.525 . 7.250 3.027 2.948 3.144 . 0 0 "[ . 1 . 2 .]" 1
126 1 9 LEU MD2 1 36 ARG HB2 3.405 . 5.010 3.649 3.369 3.753 . 0 0 "[ . 1 . 2 .]" 1
127 1 9 LEU MD2 1 36 ARG HB3 3.450 . 5.100 4.290 4.011 4.352 . 0 0 "[ . 1 . 2 .]" 1
128 1 9 LEU MD2 1 36 ARG QG 3.895 . 5.990 3.498 2.860 3.833 . 0 0 "[ . 1 . 2 .]" 1
129 1 9 LEU MD2 1 36 ARG HD2 3.265 . 4.730 2.705 2.145 3.763 . 0 0 "[ . 1 . 2 .]" 1
130 1 9 LEU MD2 1 36 ARG HD3 3.265 . 4.730 3.339 2.541 3.959 . 0 0 "[ . 1 . 2 .]" 1
131 1 10 ILE H 1 10 ILE HB 2.145 . 2.490 2.469 2.438 2.495 0.005 4 0 "[ . 1 . 2 .]" 1
132 1 10 ILE H 1 10 ILE MG 3.110 . 4.420 3.769 3.762 3.776 . 0 0 "[ . 1 . 2 .]" 1
133 1 10 ILE H 1 10 ILE HG12 2.765 . 3.730 3.694 3.613 3.749 0.019 10 0 "[ . 1 . 2 .]" 1
134 1 10 ILE H 1 10 ILE HG13 2.765 . 3.730 2.265 2.195 2.359 . 0 0 "[ . 1 . 2 .]" 1
135 1 10 ILE H 1 10 ILE QG 2.525 . 3.250 2.245 2.179 2.335 . 0 0 "[ . 1 . 2 .]" 1
136 1 10 ILE H 1 10 ILE MD 3.140 . 4.480 3.321 3.201 3.421 . 0 0 "[ . 1 . 2 .]" 1
137 1 10 ILE HA 1 10 ILE HG12 2.750 . 3.700 2.650 2.561 2.754 . 0 0 "[ . 1 . 2 .]" 1
138 1 10 ILE HA 1 10 ILE HG13 2.750 . 3.700 2.709 2.630 2.778 . 0 0 "[ . 1 . 2 .]" 1
139 1 10 ILE HA 1 10 ILE MD 3.065 . 4.330 3.827 3.810 3.838 . 0 0 "[ . 1 . 2 .]" 1
140 1 10 ILE HA 1 12 SER H 2.780 . 3.760 3.874 3.839 3.910 0.150 9 0 "[ . 1 . 2 .]" 1
141 1 10 ILE HA 1 13 TYR H 2.595 . 3.390 3.183 3.149 3.213 . 0 0 "[ . 1 . 2 .]" 1
142 1 10 ILE HA 1 13 TYR HB2 2.690 . 3.580 3.485 3.398 3.569 . 0 0 "[ . 1 . 2 .]" 1
143 1 10 ILE HA 1 13 TYR HB3 2.565 . 3.330 2.881 2.776 3.027 . 0 0 "[ . 1 . 2 .]" 1
144 1 10 ILE HA 1 13 TYR QD 4.725 . 7.650 4.447 4.300 4.670 . 0 0 "[ . 1 . 2 .]" 1
145 1 10 ILE HA 1 14 PHE H 3.075 . 4.350 3.932 3.771 4.069 . 0 0 "[ . 1 . 2 .]" 1
146 1 10 ILE HA 1 33 ILE MG 4.100 . 6.400 4.380 4.271 4.572 . 0 0 "[ . 1 . 2 .]" 1
147 1 10 ILE HA 1 33 ILE HG12 3.650 . 5.500 3.902 3.690 4.188 . 0 0 "[ . 1 . 2 .]" 1
148 1 10 ILE HA 1 33 ILE HG13 3.650 . 5.500 4.691 4.490 5.002 . 0 0 "[ . 1 . 2 .]" 1
149 1 10 ILE HA 1 33 ILE QG 3.545 . 5.290 3.720 3.528 3.983 . 0 0 "[ . 1 . 2 .]" 1
150 1 10 ILE HA 1 33 ILE MD 3.065 . 4.330 2.312 2.189 2.552 . 0 0 "[ . 1 . 2 .]" 1
151 1 10 ILE HA 1 42 ILE MG 3.745 . 5.690 3.732 3.447 3.914 . 0 0 "[ . 1 . 2 .]" 1
152 1 10 ILE HB 1 11 GLU H 2.425 . 3.050 2.811 2.713 2.878 . 0 0 "[ . 1 . 2 .]" 1
153 1 10 ILE MG 1 11 GLU H 3.295 . 4.790 3.546 3.466 3.623 . 0 0 "[ . 1 . 2 .]" 1
154 1 10 ILE MG 1 11 GLU HA 3.450 . 5.100 3.549 3.449 3.676 . 0 0 "[ . 1 . 2 .]" 1
155 1 10 ILE MG 1 12 SER H 3.805 . 5.810 4.746 4.711 4.771 . 0 0 "[ . 1 . 2 .]" 1
156 1 10 ILE MG 1 13 TYR H 3.685 . 5.570 4.395 4.316 4.449 . 0 0 "[ . 1 . 2 .]" 1
157 1 10 ILE MG 1 13 TYR HB3 3.420 . 5.040 3.372 3.252 3.508 . 0 0 "[ . 1 . 2 .]" 1
158 1 10 ILE MG 1 13 TYR QD 5.240 . 8.680 3.739 3.544 3.985 . 0 0 "[ . 1 . 2 .]" 1
159 1 10 ILE MG 1 14 PHE H 3.515 . 5.230 3.644 3.446 3.790 . 0 0 "[ . 1 . 2 .]" 1
160 1 10 ILE MG 1 14 PHE QD 4.570 . 7.340 2.862 2.705 2.958 . 0 0 "[ . 1 . 2 .]" 1
161 1 10 ILE MG 1 14 PHE QE 4.805 . 7.810 2.397 2.306 2.481 . 0 0 "[ . 1 . 2 .]" 1
162 1 10 ILE MG 1 33 ILE MD 4.680 . 7.560 3.364 2.975 3.851 . 0 0 "[ . 1 . 2 .]" 1
163 1 10 ILE MG 1 42 ILE MG 4.585 . 7.370 2.862 2.334 3.397 . 0 0 "[ . 1 . 2 .]" 1
164 1 10 ILE HG12 1 33 ILE MD 4.165 . 6.530 2.819 2.387 3.238 . 0 0 "[ . 1 . 2 .]" 1
165 1 10 ILE HG13 1 33 ILE MD 4.165 . 6.530 3.259 2.980 3.562 . 0 0 "[ . 1 . 2 .]" 1
166 1 10 ILE QG 1 11 GLU H 3.755 . 5.710 4.122 4.095 4.152 . 0 0 "[ . 1 . 2 .]" 1
167 1 10 ILE QG 1 42 ILE MG 4.610 . 7.420 3.128 2.765 3.390 . 0 0 "[ . 1 . 2 .]" 1
168 1 10 ILE MD 1 11 GLU H 4.165 . 6.530 4.562 4.436 4.648 . 0 0 "[ . 1 . 2 .]" 1
169 1 10 ILE MD 1 13 TYR QD 5.240 . 8.680 6.152 6.028 6.266 . 0 0 "[ . 1 . 2 .]" 1
170 1 10 ILE MD 1 14 PHE QD 5.240 . 8.680 5.406 5.198 5.551 . 0 0 "[ . 1 . 2 .]" 1
171 1 10 ILE MD 1 33 ILE MG 3.995 . 6.190 3.485 3.211 4.046 . 0 0 "[ . 1 . 2 .]" 1
172 1 10 ILE MD 1 33 ILE MD 4.120 . 6.440 4.036 3.755 4.355 . 0 0 "[ . 1 . 2 .]" 1
173 1 10 ILE MD 1 38 LEU HA 4.165 . 6.530 5.283 5.209 5.316 . 0 0 "[ . 1 . 2 .]" 1
174 1 11 GLU H 1 11 GLU HA 2.350 . 2.900 2.816 2.805 2.820 . 0 0 "[ . 1 . 2 .]" 1
175 1 11 GLU H 1 11 GLU QG 4.095 . 6.390 3.113 2.686 3.742 . 0 0 "[ . 1 . 2 .]" 1
176 1 11 GLU H 1 12 SER H 2.425 . 3.050 2.595 2.578 2.622 . 0 0 "[ . 1 . 2 .]" 1
177 1 11 GLU HA 1 11 GLU HB2 2.350 . 2.900 2.962 2.919 2.982 0.082 14 0 "[ . 1 . 2 .]" 1
178 1 11 GLU HA 1 11 GLU HB3 2.350 . 2.900 2.691 2.627 2.791 . 0 0 "[ . 1 . 2 .]" 1
179 1 11 GLU HA 1 14 PHE H 2.580 . 3.360 3.410 3.348 3.430 0.070 9 0 "[ . 1 . 2 .]" 1
180 1 11 GLU HA 1 14 PHE HB2 2.610 . 3.420 2.366 2.325 2.395 . 0 0 "[ . 1 . 2 .]" 1
181 1 11 GLU HA 1 14 PHE HB3 2.845 . 3.890 3.937 3.915 3.956 0.066 2 0 "[ . 1 . 2 .]" 1
182 1 11 GLU HA 1 14 PHE QD 4.260 . 6.720 3.730 3.323 3.992 . 0 0 "[ . 1 . 2 .]" 1
183 1 11 GLU HA 1 15 LYS QG 4.000 . 6.200 3.680 3.444 4.879 . 0 0 "[ . 1 . 2 .]" 1
184 1 11 GLU HB2 1 12 SER H 2.660 . 3.520 3.096 2.979 3.248 . 0 0 "[ . 1 . 2 .]" 1
185 1 11 GLU HB2 1 15 LYS HG2 4.185 . 6.570 5.430 4.963 6.619 0.049 21 0 "[ . 1 . 2 .]" 1
186 1 11 GLU HB2 1 15 LYS HG3 4.185 . 6.570 5.329 4.848 6.686 0.116 14 0 "[ . 1 . 2 .]" 1
187 1 11 GLU HB3 1 12 SER H 2.660 . 3.520 3.544 3.408 3.595 0.075 14 0 "[ . 1 . 2 .]" 1
188 1 11 GLU HB3 1 15 LYS HG2 4.185 . 6.570 3.814 3.342 4.932 . 0 0 "[ . 1 . 2 .]" 1
189 1 11 GLU HB3 1 15 LYS HG3 4.185 . 6.570 3.650 3.207 4.980 . 0 0 "[ . 1 . 2 .]" 1
190 1 11 GLU QB 1 15 LYS QG 3.690 . 5.580 3.144 2.982 3.669 . 0 0 "[ . 1 . 2 .]" 1
191 1 12 SER H 1 13 TYR H 2.690 . 3.580 2.515 2.473 2.590 . 0 0 "[ . 1 . 2 .]" 1
192 1 12 SER HA 1 15 LYS H 3.015 . 4.230 3.459 3.421 3.586 . 0 0 "[ . 1 . 2 .]" 1
193 1 12 SER HA 1 15 LYS HB2 2.890 . 3.980 2.485 2.443 2.618 . 0 0 "[ . 1 . 2 .]" 1
194 1 12 SER HA 1 15 LYS HB3 2.890 . 3.980 4.010 3.925 4.031 0.051 15 0 "[ . 1 . 2 .]" 1
195 1 12 SER HA 1 15 LYS QG 3.970 . 6.140 3.736 3.509 4.368 . 0 0 "[ . 1 . 2 .]" 1
196 1 12 SER HA 1 29 ILE MG 4.165 . 6.530 4.351 4.186 4.523 . 0 0 "[ . 1 . 2 .]" 1
197 1 12 SER HA 1 29 ILE MD 3.870 . 5.940 3.580 3.425 3.771 . 0 0 "[ . 1 . 2 .]" 1
198 1 13 TYR H 1 13 TYR HB2 2.395 . 2.990 2.499 2.464 2.534 . 0 0 "[ . 1 . 2 .]" 1
199 1 13 TYR H 1 13 TYR HB3 2.335 . 2.870 2.571 2.512 2.609 . 0 0 "[ . 1 . 2 .]" 1
200 1 13 TYR H 1 29 ILE MG 3.545 . 5.290 2.035 1.967 2.246 . 0 0 "[ . 1 . 2 .]" 1
201 1 13 TYR H 1 29 ILE MD 4.165 . 6.530 3.306 2.979 3.636 . 0 0 "[ . 1 . 2 .]" 1
202 1 13 TYR H 1 33 ILE MD 3.915 . 6.030 3.526 3.360 3.614 . 0 0 "[ . 1 . 2 .]" 1
203 1 13 TYR HA 1 14 PHE H 2.690 . 3.580 3.512 3.500 3.530 . 0 0 "[ . 1 . 2 .]" 1
204 1 13 TYR HA 1 16 ALA H 2.830 . 3.860 3.742 3.635 3.848 . 0 0 "[ . 1 . 2 .]" 1
205 1 13 TYR HA 1 16 ALA MB 3.590 . 5.380 2.696 2.569 2.909 . 0 0 "[ . 1 . 2 .]" 1
206 1 13 TYR HA 1 29 ILE MD 3.140 . 4.480 2.396 2.263 2.612 . 0 0 "[ . 1 . 2 .]" 1
207 1 13 TYR HA 1 33 ILE MD 3.840 . 5.880 4.374 4.130 4.490 . 0 0 "[ . 1 . 2 .]" 1
208 1 13 TYR HB2 1 14 PHE H 2.795 . 3.790 3.834 3.822 3.851 0.061 21 0 "[ . 1 . 2 .]" 1
209 1 13 TYR HB2 1 29 ILE MG 3.110 . 4.420 1.873 1.845 1.911 . 0 0 "[ . 1 . 2 .]" 1
210 1 13 TYR HB2 1 29 ILE MD 3.945 . 6.090 3.496 3.317 3.733 . 0 0 "[ . 1 . 2 .]" 1
211 1 13 TYR HB2 1 33 ILE MD 3.375 . 4.950 2.343 2.120 2.428 . 0 0 "[ . 1 . 2 .]" 1
212 1 13 TYR HB3 1 14 PHE QD 4.660 . 7.520 2.737 2.589 3.209 . 0 0 "[ . 1 . 2 .]" 1
213 1 13 TYR HB3 1 29 ILE MG 3.205 . 4.610 3.089 3.036 3.193 . 0 0 "[ . 1 . 2 .]" 1
214 1 13 TYR HB3 1 33 ILE MD 3.545 . 5.290 2.865 2.773 2.978 . 0 0 "[ . 1 . 2 .]" 1
215 1 13 TYR QD 1 14 PHE H 4.290 . 6.780 3.862 3.688 4.066 . 0 0 "[ . 1 . 2 .]" 1
216 1 13 TYR QD 1 14 PHE HA 4.725 . 7.650 3.848 3.652 4.103 . 0 0 "[ . 1 . 2 .]" 1
217 1 13 TYR QD 1 17 THR MG 5.240 . 8.680 3.332 3.190 3.508 . 0 0 "[ . 1 . 2 .]" 1
218 1 13 TYR QD 1 26 ILE MG 4.895 . 7.990 2.798 2.544 3.043 . 0 0 "[ . 1 . 2 .]" 1
219 1 13 TYR QD 1 29 ILE HB 4.645 . 7.490 2.448 2.228 2.601 . 0 0 "[ . 1 . 2 .]" 1
220 1 13 TYR QD 1 29 ILE MG 4.960 . 8.120 3.271 3.031 3.394 . 0 0 "[ . 1 . 2 .]" 1
221 1 13 TYR QD 1 29 ILE MD 5.240 . 8.680 3.343 3.099 3.644 . 0 0 "[ . 1 . 2 .]" 1
222 1 13 TYR QD 1 33 ILE MD 5.065 . 8.330 3.308 3.117 3.405 . 0 0 "[ . 1 . 2 .]" 1
223 1 13 TYR QD 1 41 ILE MG 5.240 . 8.680 4.784 4.567 4.925 . 0 0 "[ . 1 . 2 .]" 1
224 1 13 TYR QD 1 42 ILE MG 5.240 . 8.680 2.114 1.915 3.097 . 0 0 "[ . 1 . 2 .]" 1
225 1 13 TYR QE 1 17 THR MG 5.115 . 8.430 3.249 3.093 3.402 . 0 0 "[ . 1 . 2 .]" 1
226 1 13 TYR QE 1 26 ILE MG 4.540 . 7.280 2.124 1.994 2.350 . 0 0 "[ . 1 . 2 .]" 1
227 1 13 TYR QE 1 26 ILE MD 5.240 . 8.680 4.733 4.578 4.880 . 0 0 "[ . 1 . 2 .]" 1
228 1 13 TYR QE 1 30 GLU HB2 4.725 . 7.650 2.033 1.992 2.138 . 0 0 "[ . 1 . 2 .]" 1
229 1 13 TYR QE 1 30 GLU HG2 4.645 . 7.490 4.053 3.625 4.191 . 0 0 "[ . 1 . 2 .]" 1
230 1 13 TYR QE 1 30 GLU HG3 4.695 . 7.590 2.679 2.503 2.837 . 0 0 "[ . 1 . 2 .]" 1
231 1 13 TYR QE 1 33 ILE MD 5.240 . 8.680 4.427 4.244 4.588 . 0 0 "[ . 1 . 2 .]" 1
232 1 13 TYR QE 1 42 ILE HA 4.725 . 7.650 3.792 3.583 3.980 . 0 0 "[ . 1 . 2 .]" 1
233 1 13 TYR QE 1 42 ILE HB 4.725 . 7.650 2.203 2.030 2.428 . 0 0 "[ . 1 . 2 .]" 1
234 1 13 TYR QE 1 42 ILE MG 5.240 . 8.680 2.940 2.564 3.735 . 0 0 "[ . 1 . 2 .]" 1
235 1 13 TYR QE 1 42 ILE MD 5.240 . 8.680 3.224 2.242 3.467 . 0 0 "[ . 1 . 2 .]" 1
236 1 14 PHE H 1 14 PHE HA 2.350 . 2.900 2.850 2.833 2.860 . 0 0 "[ . 1 . 2 .]" 1
237 1 14 PHE H 1 15 LYS H 2.410 . 3.020 2.551 2.473 2.643 . 0 0 "[ . 1 . 2 .]" 1
238 1 14 PHE H 1 15 LYS QE 4.095 . 6.390 5.494 5.163 5.759 . 0 0 "[ . 1 . 2 .]" 1
239 1 14 PHE HA 1 14 PHE HB2 2.350 . 2.900 3.006 3.003 3.009 0.109 21 0 "[ . 1 . 2 .]" 1
240 1 14 PHE HA 1 14 PHE HB3 2.350 . 2.900 2.552 2.531 2.567 . 0 0 "[ . 1 . 2 .]" 1
241 1 14 PHE HA 1 17 THR H 2.675 . 3.550 3.579 3.555 3.596 0.046 11 0 "[ . 1 . 2 .]" 1
242 1 14 PHE HA 1 17 THR MG 3.840 . 5.880 3.089 2.764 3.332 . 0 0 "[ . 1 . 2 .]" 1
243 1 14 PHE HB2 1 15 LYS H 2.550 . 3.300 2.580 2.459 2.742 . 0 0 "[ . 1 . 2 .]" 1
244 1 14 PHE HB3 1 15 LYS H 2.705 . 3.610 3.458 3.320 3.601 . 0 0 "[ . 1 . 2 .]" 1
245 1 14 PHE QD 1 15 LYS H 4.725 . 7.650 4.368 4.325 4.424 . 0 0 "[ . 1 . 2 .]" 1
246 1 14 PHE QE 1 41 ILE MG 4.850 . 7.900 3.558 3.309 3.875 . 0 0 "[ . 1 . 2 .]" 1
247 1 14 PHE HZ 1 41 ILE HB 3.605 . 5.410 5.484 5.465 5.501 0.091 3 0 "[ . 1 . 2 .]" 1
248 1 14 PHE HZ 1 41 ILE MD 3.560 . 5.320 4.182 3.923 4.368 . 0 0 "[ . 1 . 2 .]" 1
249 1 14 PHE HZ 1 42 ILE HA 2.735 . 3.670 2.900 2.638 3.181 . 0 0 "[ . 1 . 2 .]" 1
250 1 14 PHE HZ 1 42 ILE MG 3.725 . 5.650 3.745 3.562 4.101 . 0 0 "[ . 1 . 2 .]" 1
251 1 14 PHE QD 1 42 ILE MG 5.225 . 8.650 3.456 3.105 4.274 . 0 0 "[ . 1 . 2 .]" 1
252 1 15 LYS H 1 15 LYS HA 2.300 . 2.800 2.821 2.800 2.831 0.031 15 0 "[ . 1 . 2 .]" 1
253 1 15 LYS HA 1 15 LYS QD 3.195 . 4.590 2.784 2.021 4.033 . 0 0 "[ . 1 . 2 .]" 1
254 1 15 LYS HA 1 15 LYS QE 3.740 . 5.680 2.825 1.950 4.548 . 0 0 "[ . 1 . 2 .]" 1
255 1 15 LYS HA 1 17 THR H 3.450 . 5.100 4.312 4.159 4.447 . 0 0 "[ . 1 . 2 .]" 1
256 1 15 LYS HA 1 18 GLU H 2.780 . 3.760 3.486 3.381 3.595 . 0 0 "[ . 1 . 2 .]" 1
257 1 15 LYS HA 1 19 MET H 3.230 . 4.660 4.108 3.957 4.261 . 0 0 "[ . 1 . 2 .]" 1
258 1 15 LYS HA 1 19 MET QG 4.095 . 6.390 4.469 4.300 4.591 . 0 0 "[ . 1 . 2 .]" 1
259 1 15 LYS HA 1 19 MET ME 3.325 . 4.850 3.881 3.817 3.975 . 0 0 "[ . 1 . 2 .]" 1
260 1 15 LYS HB2 1 15 LYS QE 4.095 . 6.390 3.543 2.191 4.114 . 0 0 "[ . 1 . 2 .]" 1
261 1 15 LYS HB2 1 21 LEU MD1 5.195 . 8.590 4.693 4.585 4.853 . 0 0 "[ . 1 . 2 .]" 1
262 1 15 LYS HB2 1 21 LEU MD2 5.195 . 8.590 6.984 6.873 7.068 . 0 0 "[ . 1 . 2 .]" 1
263 1 15 LYS HB3 1 15 LYS QE 4.095 . 6.390 3.512 2.122 4.264 . 0 0 "[ . 1 . 2 .]" 1
264 1 15 LYS HB3 1 21 LEU MD1 5.195 . 8.590 4.424 4.222 4.563 . 0 0 "[ . 1 . 2 .]" 1
265 1 15 LYS HB3 1 21 LEU MD2 5.195 . 8.590 6.898 6.646 7.051 . 0 0 "[ . 1 . 2 .]" 1
266 1 15 LYS QB 1 21 LEU QD 4.365 . 6.930 3.996 3.908 4.052 . 0 0 "[ . 1 . 2 .]" 1
267 1 15 LYS QE 1 19 MET ME 4.610 . 7.420 4.636 2.772 5.437 . 0 0 "[ . 1 . 2 .]" 1
268 1 16 ALA H 1 17 THR H 2.440 . 3.080 2.703 2.623 2.764 . 0 0 "[ . 1 . 2 .]" 1
269 1 16 ALA H 1 21 LEU QD 4.935 . 8.070 3.909 3.773 4.044 . 0 0 "[ . 1 . 2 .]" 1
270 1 16 ALA HA 1 19 MET H 2.595 . 3.390 3.457 3.436 3.487 0.097 21 0 "[ . 1 . 2 .]" 1
271 1 16 ALA HA 1 19 MET QB 3.225 . 4.650 4.058 4.022 4.166 . 0 0 "[ . 1 . 2 .]" 1
272 1 16 ALA HA 1 19 MET QG 3.860 . 5.920 1.943 1.925 1.972 . 0 0 "[ . 1 . 2 .]" 1
273 1 16 ALA HA 1 19 MET ME 3.185 . 4.570 1.954 1.897 1.974 . 0 0 "[ . 1 . 2 .]" 1
274 1 16 ALA HA 1 21 LEU H 2.750 . 3.700 2.705 2.475 2.855 . 0 0 "[ . 1 . 2 .]" 1
275 1 16 ALA HA 1 21 LEU QB 3.460 . 5.120 1.950 1.927 1.975 . 0 0 "[ . 1 . 2 .]" 1
276 1 16 ALA HA 1 21 LEU HG 3.185 . 4.570 4.448 4.303 4.575 0.005 12 0 "[ . 1 . 2 .]" 1
277 1 16 ALA HA 1 21 LEU MD1 3.775 . 5.750 2.745 2.459 3.052 . 0 0 "[ . 1 . 2 .]" 1
278 1 16 ALA HA 1 21 LEU MD2 3.775 . 5.750 4.480 4.402 4.563 . 0 0 "[ . 1 . 2 .]" 1
279 1 16 ALA HA 1 21 LEU QD 3.355 . 4.910 2.721 2.448 3.008 . 0 0 "[ . 1 . 2 .]" 1
280 1 16 ALA MB 1 19 MET ME 4.460 . 7.120 2.690 2.430 2.961 . 0 0 "[ . 1 . 2 .]" 1
281 1 16 ALA MB 1 21 LEU HA 4.165 . 6.530 4.305 4.178 4.375 . 0 0 "[ . 1 . 2 .]" 1
282 1 16 ALA MB 1 21 LEU QB 3.835 . 5.870 1.866 1.800 1.898 0.000 20 0 "[ . 1 . 2 .]" 1
283 1 16 ALA MB 1 21 LEU HG 3.995 . 6.190 4.128 3.814 4.281 . 0 0 "[ . 1 . 2 .]" 1
284 1 16 ALA MB 1 21 LEU MD1 4.680 . 7.560 2.135 1.902 2.409 . 0 0 "[ . 1 . 2 .]" 1
285 1 16 ALA MB 1 21 LEU MD2 4.680 . 7.560 3.176 3.081 3.264 . 0 0 "[ . 1 . 2 .]" 1
286 1 16 ALA MB 1 21 LEU QD 4.415 . 7.030 2.101 1.885 2.350 . 0 0 "[ . 1 . 2 .]" 1
287 1 16 ALA MB 1 25 PHE QD 4.880 . 7.960 2.563 2.331 2.926 . 0 0 "[ . 1 . 2 .]" 1
288 1 16 ALA MB 1 26 ILE HA 4.055 . 6.310 3.125 2.971 3.310 . 0 0 "[ . 1 . 2 .]" 1
289 1 16 ALA MB 1 26 ILE HB 4.165 . 6.530 4.349 4.172 4.489 . 0 0 "[ . 1 . 2 .]" 1
290 1 16 ALA MB 1 26 ILE MG 4.680 . 7.560 3.536 3.391 3.686 . 0 0 "[ . 1 . 2 .]" 1
291 1 16 ALA MB 1 26 ILE QG 4.095 . 6.390 1.860 1.774 1.960 0.026 25 0 "[ . 1 . 2 .]" 1
292 1 16 ALA MB 1 26 ILE MD 4.215 . 6.630 2.766 2.668 2.863 . 0 0 "[ . 1 . 2 .]" 1
293 1 16 ALA MB 1 29 ILE MG 4.680 . 7.560 4.460 4.316 4.567 . 0 0 "[ . 1 . 2 .]" 1
294 1 16 ALA MB 1 29 ILE MD 4.275 . 6.750 2.628 2.484 2.729 . 0 0 "[ . 1 . 2 .]" 1
295 1 17 THR H 1 17 THR HA 2.335 . 2.870 2.840 2.824 2.861 . 0 0 "[ . 1 . 2 .]" 1
296 1 17 THR H 1 17 THR MG 3.065 . 4.330 2.485 2.281 2.757 . 0 0 "[ . 1 . 2 .]" 1
297 1 17 THR H 1 18 GLU H 2.440 . 3.080 2.531 2.446 2.581 . 0 0 "[ . 1 . 2 .]" 1
298 1 17 THR H 1 26 ILE MD 3.870 . 5.940 4.075 3.802 4.222 . 0 0 "[ . 1 . 2 .]" 1
299 1 17 THR HA 1 20 ASN H 2.705 . 3.610 3.589 3.534 3.626 0.016 25 0 "[ . 1 . 2 .]" 1
300 1 17 THR HA 1 20 ASN HA 2.890 . 3.980 3.613 3.477 3.677 . 0 0 "[ . 1 . 2 .]" 1
301 1 17 THR HA 1 26 ILE HG12 3.650 . 5.500 4.000 3.877 4.228 . 0 0 "[ . 1 . 2 .]" 1
302 1 17 THR HA 1 26 ILE HG13 3.650 . 5.500 5.164 5.034 5.322 . 0 0 "[ . 1 . 2 .]" 1
303 1 17 THR HA 1 26 ILE QG 3.500 . 5.200 3.872 3.759 4.073 . 0 0 "[ . 1 . 2 .]" 1
304 1 17 THR HA 1 26 ILE MD 2.800 . 3.800 2.665 2.381 2.885 . 0 0 "[ . 1 . 2 .]" 1
305 1 17 THR HB 1 26 ILE MD 3.730 . 5.660 4.525 4.462 4.595 . 0 0 "[ . 1 . 2 .]" 1
306 1 17 THR MG 1 18 GLU H 3.825 . 5.850 4.042 3.923 4.143 . 0 0 "[ . 1 . 2 .]" 1
307 1 17 THR MG 1 20 ASN HA 4.165 . 6.530 5.288 5.151 5.379 . 0 0 "[ . 1 . 2 .]" 1
308 1 17 THR MG 1 26 ILE MD 4.025 . 6.250 2.909 2.708 3.074 . 0 0 "[ . 1 . 2 .]" 1
309 1 18 GLU H 1 19 MET H 2.410 . 3.020 2.559 2.517 2.602 . 0 0 "[ . 1 . 2 .]" 1
310 1 18 GLU HA 1 19 MET H 2.610 . 3.420 3.540 3.534 3.545 0.125 21 0 "[ . 1 . 2 .]" 1
311 1 18 GLU HA 1 20 ASN H 3.030 . 4.260 4.117 4.015 4.173 . 0 0 "[ . 1 . 2 .]" 1
312 1 18 GLU HB2 1 19 MET H 2.395 . 2.990 2.883 2.664 2.999 0.009 1 0 "[ . 1 . 2 .]" 1
313 1 18 GLU HB3 1 19 MET H 2.395 . 2.990 3.002 2.994 3.012 0.022 14 0 "[ . 1 . 2 .]" 1
314 1 18 GLU QB 1 20 ASN H 3.895 . 5.990 4.381 4.280 4.428 . 0 0 "[ . 1 . 2 .]" 1
315 1 19 MET H 1 19 MET HA 2.350 . 2.900 2.878 2.865 2.884 . 0 0 "[ . 1 . 2 .]" 1
316 1 19 MET H 1 19 MET HB2 2.640 . 3.480 3.599 3.584 3.607 0.127 7 0 "[ . 1 . 2 .]" 1
317 1 19 MET H 1 19 MET HB3 2.640 . 3.480 2.587 2.550 2.766 . 0 0 "[ . 1 . 2 .]" 1
318 1 19 MET H 1 19 MET QB 2.425 . 3.050 2.532 2.500 2.679 . 0 0 "[ . 1 . 2 .]" 1
319 1 19 MET H 1 19 MET QG 3.100 . 4.400 2.147 1.932 2.214 . 0 0 "[ . 1 . 2 .]" 1
320 1 19 MET H 1 20 ASN H 2.860 . 3.920 2.461 2.429 2.504 . 0 0 "[ . 1 . 2 .]" 1
321 1 19 MET H 1 21 LEU QD 4.735 . 7.670 5.258 5.105 5.422 . 0 0 "[ . 1 . 2 .]" 1
322 1 19 MET HB2 1 20 ASN H 3.015 . 4.230 4.192 4.034 4.258 0.028 13 0 "[ . 1 . 2 .]" 1
323 1 19 MET HB3 1 20 ASN H 3.015 . 4.230 4.195 4.154 4.311 0.081 12 0 "[ . 1 . 2 .]" 1
324 1 19 MET QB 1 20 ASN H 2.910 . 4.020 3.735 3.696 3.779 . 0 0 "[ . 1 . 2 .]" 1
325 1 19 MET QB 1 21 LEU HG 3.845 . 5.890 5.245 5.175 5.268 . 0 0 "[ . 1 . 2 .]" 1
326 1 19 MET QB 1 21 LEU QD 5.365 . 8.930 4.399 4.320 4.490 . 0 0 "[ . 1 . 2 .]" 1
327 1 19 MET QG 1 21 LEU MD1 4.605 . 7.410 3.227 2.984 3.304 . 0 0 "[ . 1 . 2 .]" 1
328 1 19 MET QG 1 21 LEU MD2 4.605 . 7.410 4.543 4.505 4.596 . 0 0 "[ . 1 . 2 .]" 1
329 1 19 MET ME 1 21 LEU QB 3.680 . 5.560 2.389 1.953 2.796 . 0 0 "[ . 1 . 2 .]" 1
330 1 19 MET ME 1 21 LEU HG 3.065 . 4.330 3.531 3.387 3.578 . 0 0 "[ . 1 . 2 .]" 1
331 1 19 MET ME 1 21 LEU MD1 4.680 . 7.560 1.741 1.697 1.789 0.103 22 0 "[ . 1 . 2 .]" 1
332 1 19 MET ME 1 21 LEU MD2 4.680 . 7.560 3.938 3.764 4.090 . 0 0 "[ . 1 . 2 .]" 1
333 1 19 MET ME 1 25 PHE QD 5.240 . 8.680 3.915 3.502 4.542 . 0 0 "[ . 1 . 2 .]" 1
334 1 20 ASN H 1 20 ASN QB 2.800 . 3.800 3.448 3.234 3.486 . 0 0 "[ . 1 . 2 .]" 1
335 1 20 ASN H 1 21 LEU H 3.000 . 4.200 2.451 2.405 2.631 . 0 0 "[ . 1 . 2 .]" 1
336 1 20 ASN HA 1 20 ASN HB2 2.380 . 2.960 3.009 2.987 3.020 0.060 20 0 "[ . 1 . 2 .]" 1
337 1 20 ASN HA 1 20 ASN HB3 2.380 . 2.960 2.406 2.364 2.643 . 0 0 "[ . 1 . 2 .]" 1
338 1 20 ASN HA 1 20 ASN QB 2.255 . 2.710 2.312 2.282 2.476 . 0 0 "[ . 1 . 2 .]" 1
339 1 20 ASN HA 1 21 LEU H 2.455 . 3.110 2.778 2.698 2.815 . 0 0 "[ . 1 . 2 .]" 1
340 1 20 ASN HA 1 26 ILE MD 3.650 . 5.500 3.043 2.766 3.267 . 0 0 "[ . 1 . 2 .]" 1
341 1 21 LEU HA 1 21 LEU HG 2.860 . 3.920 2.322 2.285 2.349 . 0 0 "[ . 1 . 2 .]" 1
342 1 21 LEU HA 1 21 LEU MD1 3.325 . 4.850 3.639 3.583 3.673 . 0 0 "[ . 1 . 2 .]" 1
343 1 21 LEU HA 1 21 LEU MD2 3.325 . 4.850 3.068 3.007 3.129 . 0 0 "[ . 1 . 2 .]" 1
344 1 21 LEU H 1 21 LEU HG 3.005 . 4.210 4.196 4.178 4.217 0.007 25 0 "[ . 1 . 2 .]" 1
345 1 21 LEU HA 1 22 ASN H 2.395 . 2.990 2.371 2.343 2.399 . 0 0 "[ . 1 . 2 .]" 1
346 1 21 LEU QB 1 22 ASN H 3.135 . 4.470 3.245 3.189 3.296 . 0 0 "[ . 1 . 2 .]" 1
347 1 21 LEU QB 1 25 PHE QD 5.170 . 8.540 3.133 2.777 3.387 . 0 0 "[ . 1 . 2 .]" 1
348 1 21 LEU HG 1 22 ASN HB2 3.650 . 5.500 4.560 4.370 4.758 . 0 0 "[ . 1 . 2 .]" 1
349 1 21 LEU MD1 1 22 ASN H 3.900 . 6.000 4.033 3.974 4.079 . 0 0 "[ . 1 . 2 .]" 1
350 1 21 LEU MD1 1 25 PHE QD 5.240 . 8.680 2.023 1.872 2.272 . 0 0 "[ . 1 . 2 .]" 1
351 1 21 LEU MD2 1 22 ASN H 3.900 . 6.000 1.892 1.882 1.936 . 0 0 "[ . 1 . 2 .]" 1
352 1 21 LEU MD2 1 25 PHE QD 5.240 . 8.680 2.249 2.018 2.586 . 0 0 "[ . 1 . 2 .]" 1
353 1 21 LEU QD 1 25 PHE HB2 4.935 . 8.070 2.100 1.988 2.266 . 0 0 "[ . 1 . 2 .]" 1
354 1 21 LEU QD 1 25 PHE HB3 4.655 . 7.510 1.905 1.848 2.004 . 0 0 "[ . 1 . 2 .]" 1
355 1 21 LEU QD 1 25 PHE QD 4.875 . 7.950 1.882 1.735 2.113 0.065 10 0 "[ . 1 . 2 .]" 1
356 1 22 ASN H 1 22 ASN HB2 2.610 . 3.420 2.272 2.209 2.401 . 0 0 "[ . 1 . 2 .]" 1
357 1 22 ASN H 1 22 ASN HB3 2.535 . 3.270 2.868 2.706 2.956 . 0 0 "[ . 1 . 2 .]" 1
358 1 22 ASN HA 1 23 ARG H 2.485 . 3.170 2.168 2.152 2.186 . 0 0 "[ . 1 . 2 .]" 1
359 1 22 ASN HA 1 23 ARG HA 3.245 . 4.690 4.327 4.316 4.336 . 0 0 "[ . 1 . 2 .]" 1
360 1 22 ASN HA 1 23 ARG QB 3.195 . 4.590 4.067 4.050 4.090 . 0 0 "[ . 1 . 2 .]" 1
361 1 23 ARG H 1 23 ARG QG 4.095 . 6.390 3.975 3.821 4.048 . 0 0 "[ . 1 . 2 .]" 1
362 1 23 ARG HA 1 23 ARG HG2 3.015 . 4.230 3.332 2.188 3.748 . 0 0 "[ . 1 . 2 .]" 1
363 1 23 ARG HA 1 23 ARG HG3 3.015 . 4.230 2.643 2.189 3.532 . 0 0 "[ . 1 . 2 .]" 1
364 1 23 ARG HA 1 23 ARG QD 3.165 . 4.530 2.984 2.139 3.976 . 0 0 "[ . 1 . 2 .]" 1
365 1 23 ARG HA 1 24 ASP HA 3.245 . 4.690 4.750 4.725 4.762 0.072 1 0 "[ . 1 . 2 .]" 1
366 1 23 ARG HA 1 26 ILE H 2.875 . 3.950 3.301 3.222 3.390 . 0 0 "[ . 1 . 2 .]" 1
367 1 23 ARG HA 1 26 ILE HB 2.285 . 2.770 2.384 2.270 2.513 . 0 0 "[ . 1 . 2 .]" 1
368 1 23 ARG HB2 1 24 ASP H 2.875 . 3.950 3.891 3.793 3.963 0.013 6 0 "[ . 1 . 2 .]" 1
369 1 23 ARG HB3 1 24 ASP H 2.875 . 3.950 2.927 2.804 3.042 . 0 0 "[ . 1 . 2 .]" 1
370 1 23 ARG QD 1 26 ILE MG 4.515 . 7.230 4.118 3.174 5.204 . 0 0 "[ . 1 . 2 .]" 1
371 1 23 ARG QD 1 26 ILE MD 4.610 . 7.420 3.848 2.724 5.362 . 0 0 "[ . 1 . 2 .]" 1
372 1 24 ASP H 1 25 PHE H 2.410 . 3.020 2.605 2.534 2.652 . 0 0 "[ . 1 . 2 .]" 1
373 1 24 ASP HA 1 24 ASP HB2 2.395 . 2.990 2.864 2.698 3.012 0.022 4 0 "[ . 1 . 2 .]" 1
374 1 24 ASP HA 1 24 ASP HB3 2.395 . 2.990 2.785 2.570 2.967 . 0 0 "[ . 1 . 2 .]" 1
375 1 24 ASP HA 1 27 GLU H 2.660 . 3.520 3.562 3.548 3.580 0.060 20 0 "[ . 1 . 2 .]" 1
376 1 24 ASP HA 1 27 GLU HB2 2.565 . 3.330 3.354 3.341 3.366 0.036 19 0 "[ . 1 . 2 .]" 1
377 1 24 ASP HA 1 27 GLU HB3 2.565 . 3.330 3.294 3.163 3.350 0.020 4 0 "[ . 1 . 2 .]" 1
378 1 24 ASP HB2 1 25 PHE H 2.750 . 3.700 3.213 2.817 3.606 . 0 0 "[ . 1 . 2 .]" 1
379 1 24 ASP HB3 1 25 PHE H 2.750 . 3.700 3.217 2.817 3.611 . 0 0 "[ . 1 . 2 .]" 1
380 1 24 ASP QB 1 25 PHE H 2.610 . 3.420 2.770 2.714 2.843 . 0 0 "[ . 1 . 2 .]" 1
381 1 25 PHE H 1 26 ILE HB 3.125 . 4.450 4.521 4.510 4.535 0.085 15 0 "[ . 1 . 2 .]" 1
382 1 25 PHE H 1 26 ILE QG 4.065 . 6.330 4.040 3.950 4.150 . 0 0 "[ . 1 . 2 .]" 1
383 1 25 PHE H 1 28 LEU MD1 4.165 . 6.530 5.290 5.241 5.361 . 0 0 "[ . 1 . 2 .]" 1
384 1 25 PHE H 1 28 LEU MD2 4.165 . 6.530 5.227 5.184 5.242 . 0 0 "[ . 1 . 2 .]" 1
385 1 25 PHE HA 1 28 LEU H 2.580 . 3.360 3.308 3.252 3.354 . 0 0 "[ . 1 . 2 .]" 1
386 1 25 PHE HA 1 28 LEU HB2 2.690 . 3.580 3.462 3.384 3.532 . 0 0 "[ . 1 . 2 .]" 1
387 1 25 PHE HA 1 28 LEU HB3 2.690 . 3.580 2.111 2.050 2.159 . 0 0 "[ . 1 . 2 .]" 1
388 1 25 PHE HA 1 28 LEU QB 2.510 . 3.220 2.093 2.034 2.141 . 0 0 "[ . 1 . 2 .]" 1
389 1 25 PHE HA 1 28 LEU HG 3.650 . 5.500 4.811 4.762 4.862 . 0 0 "[ . 1 . 2 .]" 1
390 1 25 PHE HA 1 28 LEU MD1 3.185 . 4.570 3.202 3.100 3.353 . 0 0 "[ . 1 . 2 .]" 1
391 1 25 PHE HA 1 28 LEU MD2 3.185 . 4.570 2.683 2.640 2.704 . 0 0 "[ . 1 . 2 .]" 1
392 1 25 PHE HA 1 29 ILE QG 4.095 . 6.390 3.579 3.496 3.700 . 0 0 "[ . 1 . 2 .]" 1
393 1 25 PHE HB2 1 26 ILE H 2.705 . 3.610 3.569 3.524 3.614 0.004 10 0 "[ . 1 . 2 .]" 1
394 1 25 PHE HB2 1 28 LEU QD 4.935 . 8.070 4.276 4.210 4.328 . 0 0 "[ . 1 . 2 .]" 1
395 1 25 PHE HB3 1 26 ILE H 3.110 . 4.420 2.557 2.485 2.652 . 0 0 "[ . 1 . 2 .]" 1
396 1 25 PHE QD 1 26 ILE HA 4.725 . 7.650 4.582 4.107 4.772 . 0 0 "[ . 1 . 2 .]" 1
397 1 25 PHE QD 1 26 ILE MD 5.240 . 8.680 5.449 5.318 5.582 . 0 0 "[ . 1 . 2 .]" 1
398 1 25 PHE QD 1 28 LEU QB 5.170 . 8.540 3.367 3.098 3.915 . 0 0 "[ . 1 . 2 .]" 1
399 1 25 PHE QD 1 28 LEU MD1 5.050 . 8.300 2.874 2.624 3.389 . 0 0 "[ . 1 . 2 .]" 1
400 1 25 PHE QD 1 28 LEU MD2 5.050 . 8.300 2.780 2.493 3.367 . 0 0 "[ . 1 . 2 .]" 1
401 1 25 PHE QD 1 28 LEU QD 4.855 . 7.910 2.511 2.292 3.009 . 0 0 "[ . 1 . 2 .]" 1
402 1 25 PHE QD 1 29 ILE MG 5.115 . 8.430 5.242 5.015 5.394 . 0 0 "[ . 1 . 2 .]" 1
403 1 25 PHE QD 1 29 ILE MD 4.495 . 7.190 2.419 1.982 2.666 . 0 0 "[ . 1 . 2 .]" 1
404 1 25 PHE HZ 1 29 ILE MD 3.805 . 5.810 3.694 3.479 3.852 . 0 0 "[ . 1 . 2 .]" 1
405 1 26 ILE H 1 26 ILE HB 2.610 . 3.420 2.451 2.422 2.476 . 0 0 "[ . 1 . 2 .]" 1
406 1 26 ILE H 1 26 ILE QG 3.615 . 5.430 2.170 2.116 2.225 . 0 0 "[ . 1 . 2 .]" 1
407 1 26 ILE H 1 26 ILE MD 4.040 . 6.280 3.658 3.596 3.712 . 0 0 "[ . 1 . 2 .]" 1
408 1 26 ILE H 1 27 GLU H 2.640 . 3.480 2.687 2.659 2.722 . 0 0 "[ . 1 . 2 .]" 1
409 1 26 ILE H 1 28 LEU H 3.015 . 4.230 3.867 3.822 3.936 . 0 0 "[ . 1 . 2 .]" 1
410 1 26 ILE HA 1 26 ILE HG12 3.015 . 4.230 2.445 2.403 2.485 . 0 0 "[ . 1 . 2 .]" 1
411 1 26 ILE HA 1 26 ILE HG13 3.015 . 4.230 3.013 2.986 3.035 . 0 0 "[ . 1 . 2 .]" 1
412 1 26 ILE HA 1 26 ILE MD 3.325 . 4.850 3.791 3.771 3.811 . 0 0 "[ . 1 . 2 .]" 1
413 1 26 ILE HA 1 27 GLU HA 3.245 . 4.690 4.717 4.706 4.731 0.041 17 0 "[ . 1 . 2 .]" 1
414 1 26 ILE HA 1 29 ILE H 2.765 . 3.730 3.642 3.535 3.741 0.011 1 0 "[ . 1 . 2 .]" 1
415 1 26 ILE HA 1 29 ILE HB 2.595 . 3.390 3.182 3.074 3.265 . 0 0 "[ . 1 . 2 .]" 1
416 1 26 ILE HA 1 29 ILE MD 3.170 . 4.540 2.563 2.350 2.736 . 0 0 "[ . 1 . 2 .]" 1
417 1 26 ILE HB 1 27 GLU H 2.455 . 3.110 2.566 2.488 2.662 . 0 0 "[ . 1 . 2 .]" 1
418 1 26 ILE MG 1 27 GLU H 3.480 . 5.160 3.321 3.265 3.416 . 0 0 "[ . 1 . 2 .]" 1
419 1 26 ILE MG 1 27 GLU HA 3.545 . 5.290 3.392 3.314 3.564 . 0 0 "[ . 1 . 2 .]" 1
420 1 26 ILE MG 1 27 GLU HB2 4.165 . 6.530 4.221 4.190 4.294 . 0 0 "[ . 1 . 2 .]" 1
421 1 26 ILE MG 1 27 GLU HB3 4.165 . 6.530 5.295 5.272 5.358 . 0 0 "[ . 1 . 2 .]" 1
422 1 26 ILE MG 1 30 GLU HB2 3.730 . 5.660 3.304 3.064 3.457 . 0 0 "[ . 1 . 2 .]" 1
423 1 26 ILE MG 1 30 GLU HB3 3.915 . 6.030 4.289 4.152 4.420 . 0 0 "[ . 1 . 2 .]" 1
424 1 26 ILE MG 1 30 GLU HG3 3.575 . 5.350 4.363 4.144 4.403 . 0 0 "[ . 1 . 2 .]" 1
425 1 26 ILE QG 1 27 GLU H 4.095 . 6.390 4.036 3.990 4.093 . 0 0 "[ . 1 . 2 .]" 1
426 1 27 GLU H 1 27 GLU HA 2.380 . 2.960 2.852 2.838 2.864 . 0 0 "[ . 1 . 2 .]" 1
427 1 27 GLU H 1 27 GLU HG2 3.340 . 4.880 4.551 4.319 4.674 . 0 0 "[ . 1 . 2 .]" 1
428 1 27 GLU H 1 27 GLU HG3 3.340 . 4.880 4.178 4.038 4.534 . 0 0 "[ . 1 . 2 .]" 1
429 1 27 GLU H 1 27 GLU QG 3.270 . 4.740 3.860 3.731 4.036 . 0 0 "[ . 1 . 2 .]" 1
430 1 27 GLU H 1 28 LEU H 2.455 . 3.110 2.464 2.423 2.508 . 0 0 "[ . 1 . 2 .]" 1
431 1 27 GLU HA 1 29 ILE H 3.140 . 4.480 4.526 4.510 4.537 0.057 5 0 "[ . 1 . 2 .]" 1
432 1 27 GLU HA 1 30 GLU H 2.640 . 3.480 3.337 3.298 3.391 . 0 0 "[ . 1 . 2 .]" 1
433 1 27 GLU HA 1 30 GLU HB2 2.485 . 3.170 3.098 2.990 3.173 0.003 21 0 "[ . 1 . 2 .]" 1
434 1 27 GLU HA 1 30 GLU HB3 2.395 . 2.990 2.581 2.510 2.732 . 0 0 "[ . 1 . 2 .]" 1
435 1 27 GLU HA 1 30 GLU HG3 3.650 . 5.500 4.930 4.528 5.153 . 0 0 "[ . 1 . 2 .]" 1
436 1 27 GLU HA 1 31 ASN H 3.450 . 5.100 3.784 3.695 3.872 . 0 0 "[ . 1 . 2 .]" 1
437 1 28 LEU H 1 28 LEU HA 2.350 . 2.900 2.831 2.824 2.837 . 0 0 "[ . 1 . 2 .]" 1
438 1 28 LEU H 1 28 LEU QB 2.680 . 3.560 2.124 2.104 2.137 . 0 0 "[ . 1 . 2 .]" 1
439 1 28 LEU H 1 29 ILE H 2.505 . 3.210 2.634 2.609 2.664 . 0 0 "[ . 1 . 2 .]" 1
440 1 28 LEU HA 1 28 LEU MD1 3.325 . 4.850 3.675 3.647 3.704 . 0 0 "[ . 1 . 2 .]" 1
441 1 28 LEU HA 1 28 LEU MD2 3.325 . 4.850 3.581 3.568 3.610 . 0 0 "[ . 1 . 2 .]" 1
442 1 28 LEU HA 1 28 LEU QD 2.975 . 4.150 3.230 3.216 3.249 . 0 0 "[ . 1 . 2 .]" 1
443 1 28 LEU HA 1 29 ILE H 2.705 . 3.610 3.551 3.548 3.555 . 0 0 "[ . 1 . 2 .]" 1
444 1 28 LEU HA 1 30 GLU H 3.000 . 4.200 4.251 4.237 4.264 0.064 17 0 "[ . 1 . 2 .]" 1
445 1 28 LEU HA 1 31 ASN H 2.565 . 3.330 3.356 3.344 3.371 0.041 16 0 "[ . 1 . 2 .]" 1
446 1 28 LEU HA 1 31 ASN HB2 2.610 . 3.420 2.413 2.401 2.426 . 0 0 "[ . 1 . 2 .]" 1
447 1 28 LEU HA 1 31 ASN HB3 2.860 . 3.920 3.957 3.947 3.967 0.047 15 0 "[ . 1 . 2 .]" 1
448 1 29 ILE H 1 29 ILE MG 3.095 . 4.390 3.771 3.768 3.774 . 0 0 "[ . 1 . 2 .]" 1
449 1 29 ILE H 1 29 ILE QG 3.210 . 4.620 2.063 2.029 2.108 . 0 0 "[ . 1 . 2 .]" 1
450 1 29 ILE H 1 29 ILE MD 3.435 . 5.070 3.055 3.004 3.099 . 0 0 "[ . 1 . 2 .]" 1
451 1 29 ILE H 1 30 GLU H 2.365 . 2.930 2.502 2.476 2.530 . 0 0 "[ . 1 . 2 .]" 1
452 1 29 ILE HA 1 29 ILE HG12 2.795 . 3.790 2.917 2.852 2.979 . 0 0 "[ . 1 . 2 .]" 1
453 1 29 ILE HA 1 29 ILE HG13 2.795 . 3.790 2.750 2.711 2.781 . 0 0 "[ . 1 . 2 .]" 1
454 1 29 ILE HA 1 29 ILE QG 2.690 . 3.580 2.516 2.500 2.533 . 0 0 "[ . 1 . 2 .]" 1
455 1 29 ILE HA 1 29 ILE MD 3.360 . 4.920 3.917 3.906 3.925 . 0 0 "[ . 1 . 2 .]" 1
456 1 29 ILE HA 1 32 GLU H 2.795 . 3.790 3.521 3.480 3.576 . 0 0 "[ . 1 . 2 .]" 1
457 1 29 ILE MG 1 30 GLU H 3.295 . 4.790 3.729 3.693 3.752 . 0 0 "[ . 1 . 2 .]" 1
458 1 29 ILE MG 1 30 GLU HA 3.805 . 5.810 3.712 3.658 3.750 . 0 0 "[ . 1 . 2 .]" 1
459 1 29 ILE MG 1 31 ASN H 4.010 . 6.220 5.067 5.048 5.093 . 0 0 "[ . 1 . 2 .]" 1
460 1 29 ILE MG 1 32 GLU H 3.775 . 5.750 4.616 4.551 4.690 . 0 0 "[ . 1 . 2 .]" 1
461 1 29 ILE MG 1 33 ILE H 4.165 . 6.530 4.028 3.931 4.095 . 0 0 "[ . 1 . 2 .]" 1
462 1 29 ILE MG 1 33 ILE MD 3.870 . 5.940 1.815 1.795 1.895 0.005 1 0 "[ . 1 . 2 .]" 1
463 1 29 ILE QG 1 30 GLU H 4.020 . 6.240 4.022 4.006 4.050 . 0 0 "[ . 1 . 2 .]" 1
464 1 30 GLU H 1 31 ASN H 2.705 . 3.610 2.402 2.394 2.411 . 0 0 "[ . 1 . 2 .]" 1
465 1 30 GLU HA 1 33 ILE H 2.610 . 3.420 3.398 3.361 3.431 0.011 18 0 "[ . 1 . 2 .]" 1
466 1 30 GLU HA 1 33 ILE HB 2.410 . 3.020 2.565 2.371 2.647 . 0 0 "[ . 1 . 2 .]" 1
467 1 30 GLU HA 1 33 ILE MG 3.495 . 5.190 3.934 3.705 4.034 . 0 0 "[ . 1 . 2 .]" 1
468 1 30 GLU HA 1 33 ILE QG 3.860 . 5.920 3.727 3.671 3.779 . 0 0 "[ . 1 . 2 .]" 1
469 1 30 GLU HA 1 34 LYS H 2.890 . 3.980 3.825 3.706 3.907 . 0 0 "[ . 1 . 2 .]" 1
470 1 30 GLU HA 1 42 ILE MG 3.870 . 5.940 3.568 3.380 3.801 . 0 0 "[ . 1 . 2 .]" 1
471 1 30 GLU HA 1 42 ILE MD 3.495 . 5.190 3.278 2.700 4.106 . 0 0 "[ . 1 . 2 .]" 1
472 1 30 GLU HA 1 44 VAL MG2 4.135 . 6.470 5.257 4.877 5.347 . 0 0 "[ . 1 . 2 .]" 1
473 1 30 GLU HB2 1 42 ILE MD 3.790 . 5.780 4.137 3.619 4.586 . 0 0 "[ . 1 . 2 .]" 1
474 1 30 GLU HB3 1 42 ILE MD 3.855 . 5.910 4.498 4.076 4.925 . 0 0 "[ . 1 . 2 .]" 1
475 1 30 GLU HG2 1 42 ILE MD 3.420 . 5.040 2.455 1.963 2.992 . 0 0 "[ . 1 . 2 .]" 1
476 1 30 GLU HG3 1 34 LYS QE 4.095 . 6.390 3.899 3.195 4.659 . 0 0 "[ . 1 . 2 .]" 1
477 1 30 GLU HG3 1 42 ILE MD 3.635 . 5.470 2.367 1.865 2.987 . 0 0 "[ . 1 . 2 .]" 1
478 1 31 ASN H 1 31 ASN HA 2.350 . 2.900 2.838 2.829 2.844 . 0 0 "[ . 1 . 2 .]" 1
479 1 31 ASN H 1 31 ASN HB2 2.285 . 2.770 2.205 2.201 2.209 . 0 0 "[ . 1 . 2 .]" 1
480 1 31 ASN H 1 32 GLU H 2.395 . 2.990 2.546 2.527 2.580 . 0 0 "[ . 1 . 2 .]" 1
481 1 31 ASN HA 1 34 LYS H 2.625 . 3.450 3.504 3.489 3.517 0.067 17 0 "[ . 1 . 2 .]" 1
482 1 31 ASN HA 1 34 LYS HB2 2.795 . 3.790 2.406 2.349 2.472 . 0 0 "[ . 1 . 2 .]" 1
483 1 31 ASN HA 1 34 LYS HB3 2.795 . 3.790 3.778 3.741 3.802 0.012 15 0 "[ . 1 . 2 .]" 1
484 1 31 ASN HA 1 34 LYS QD 3.830 . 5.860 3.633 2.768 5.129 . 0 0 "[ . 1 . 2 .]" 1
485 1 31 ASN HA 1 34 LYS QE 3.985 . 6.170 4.621 2.688 5.572 . 0 0 "[ . 1 . 2 .]" 1
486 1 31 ASN HB2 1 32 GLU H 2.705 . 3.610 3.037 2.916 3.078 . 0 0 "[ . 1 . 2 .]" 1
487 1 31 ASN HB3 1 32 GLU H 2.795 . 3.790 3.610 3.499 3.647 . 0 0 "[ . 1 . 2 .]" 1
488 1 32 GLU H 1 32 GLU QG 3.615 . 5.430 4.036 3.958 4.083 . 0 0 "[ . 1 . 2 .]" 1
489 1 32 GLU H 1 33 ILE H 2.395 . 2.990 2.392 2.378 2.432 . 0 0 "[ . 1 . 2 .]" 1
490 1 32 GLU H 1 33 ILE HB 3.110 . 4.420 4.483 4.428 4.505 0.085 4 0 "[ . 1 . 2 .]" 1
491 1 32 GLU H 1 33 ILE QG 4.095 . 6.390 4.020 3.967 4.167 . 0 0 "[ . 1 . 2 .]" 1
492 1 32 GLU H 1 34 LYS H 2.795 . 3.790 3.607 3.571 3.663 . 0 0 "[ . 1 . 2 .]" 1
493 1 32 GLU H 1 34 LYS QB 3.550 . 5.300 4.418 4.384 4.454 . 0 0 "[ . 1 . 2 .]" 1
494 1 32 GLU HA 1 34 LYS H 3.170 . 4.540 4.131 4.080 4.200 . 0 0 "[ . 1 . 2 .]" 1
495 1 32 GLU HA 1 35 ARG H 2.595 . 3.390 3.422 3.404 3.435 0.045 17 0 "[ . 1 . 2 .]" 1
496 1 32 GLU HA 1 35 ARG QB 3.630 . 5.460 2.958 2.756 3.102 . 0 0 "[ . 1 . 2 .]" 1
497 1 32 GLU QB 1 33 ILE H 3.070 . 4.340 2.428 2.390 2.459 . 0 0 "[ . 1 . 2 .]" 1
498 1 33 ILE H 1 33 ILE HB 2.255 . 2.710 2.477 2.410 2.505 . 0 0 "[ . 1 . 2 .]" 1
499 1 33 ILE H 1 33 ILE MG 3.235 . 4.670 3.755 3.744 3.759 . 0 0 "[ . 1 . 2 .]" 1
500 1 33 ILE H 1 33 ILE HG12 2.830 . 3.860 3.560 3.508 3.617 . 0 0 "[ . 1 . 2 .]" 1
501 1 33 ILE H 1 33 ILE HG13 2.830 . 3.860 2.116 2.066 2.225 . 0 0 "[ . 1 . 2 .]" 1
502 1 33 ILE H 1 33 ILE QG 2.645 . 3.490 2.100 2.053 2.205 . 0 0 "[ . 1 . 2 .]" 1
503 1 33 ILE H 1 33 ILE MD 3.435 . 5.070 3.267 3.205 3.381 . 0 0 "[ . 1 . 2 .]" 1
504 1 33 ILE H 1 34 LYS H 2.610 . 3.420 2.566 2.549 2.601 . 0 0 "[ . 1 . 2 .]" 1
505 1 33 ILE HA 1 33 ILE QG 2.720 . 3.640 2.447 2.394 2.470 . 0 0 "[ . 1 . 2 .]" 1
506 1 33 ILE HA 1 36 ARG HB2 3.200 . 4.600 2.213 2.133 2.297 . 0 0 "[ . 1 . 2 .]" 1
507 1 33 ILE HA 1 36 ARG HB3 2.690 . 3.580 3.623 3.607 3.645 0.065 9 0 "[ . 1 . 2 .]" 1
508 1 33 ILE HA 1 36 ARG QD 3.955 . 6.110 3.542 2.879 4.541 . 0 0 "[ . 1 . 2 .]" 1
509 1 33 ILE HA 1 38 LEU QB 4.095 . 6.390 2.854 2.480 3.109 . 0 0 "[ . 1 . 2 .]" 1
510 1 33 ILE HA 1 38 LEU MD2 4.165 . 6.530 3.657 2.962 3.972 . 0 0 "[ . 1 . 2 .]" 1
511 1 33 ILE MG 1 34 LYS H 3.220 . 4.640 3.649 3.535 3.691 . 0 0 "[ . 1 . 2 .]" 1
512 1 33 ILE MG 1 34 LYS HA 3.390 . 4.980 3.638 3.456 3.738 . 0 0 "[ . 1 . 2 .]" 1
513 1 33 ILE MG 1 38 LEU H 3.840 . 5.880 3.092 2.927 3.242 . 0 0 "[ . 1 . 2 .]" 1
514 1 33 ILE MG 1 38 LEU HA 4.165 . 6.530 3.788 3.706 3.929 . 0 0 "[ . 1 . 2 .]" 1
515 1 33 ILE MG 1 38 LEU QB 3.755 . 5.710 1.847 1.813 1.911 . 0 0 "[ . 1 . 2 .]" 1
516 1 33 ILE MG 1 38 LEU MD1 4.680 . 7.560 3.987 3.720 4.177 . 0 0 "[ . 1 . 2 .]" 1
517 1 33 ILE MG 1 38 LEU MD2 4.680 . 7.560 2.294 1.873 2.798 . 0 0 "[ . 1 . 2 .]" 1
518 1 33 ILE MG 1 39 GLY H 3.825 . 5.850 3.339 2.945 3.515 . 0 0 "[ . 1 . 2 .]" 1
519 1 33 ILE MG 1 42 ILE QG 4.115 . 6.430 2.669 2.271 2.987 . 0 0 "[ . 1 . 2 .]" 1
520 1 33 ILE MD 1 34 LYS H 4.055 . 6.310 4.542 4.486 4.678 . 0 0 "[ . 1 . 2 .]" 1
521 1 33 ILE MD 1 38 LEU QB 4.485 . 7.170 4.394 4.248 4.589 . 0 0 "[ . 1 . 2 .]" 1
522 1 33 ILE MD 1 38 LEU MD2 4.680 . 7.560 3.804 2.925 4.359 . 0 0 "[ . 1 . 2 .]" 1
523 1 33 ILE MD 1 41 ILE MG 4.645 . 7.490 3.241 3.062 3.458 . 0 0 "[ . 1 . 2 .]" 1
524 1 33 ILE MD 1 42 ILE MG 4.120 . 6.440 2.142 1.847 2.455 . 0 0 "[ . 1 . 2 .]" 1
525 1 34 LYS H 1 34 LYS HA 2.365 . 2.930 2.847 2.829 2.853 . 0 0 "[ . 1 . 2 .]" 1
526 1 34 LYS H 1 34 LYS HG2 3.000 . 4.200 3.753 2.986 4.190 . 0 0 "[ . 1 . 2 .]" 1
527 1 34 LYS H 1 34 LYS HG3 3.000 . 4.200 3.303 2.954 3.957 . 0 0 "[ . 1 . 2 .]" 1
528 1 34 LYS H 1 34 LYS QG 2.695 . 3.590 3.009 2.867 3.125 . 0 0 "[ . 1 . 2 .]" 1
529 1 34 LYS H 1 34 LYS QD 3.475 . 5.150 4.266 3.976 4.555 . 0 0 "[ . 1 . 2 .]" 1
530 1 34 LYS H 1 35 ARG H 2.625 . 3.450 2.597 2.558 2.637 . 0 0 "[ . 1 . 2 .]" 1
531 1 34 LYS H 1 35 ARG QB 3.445 . 5.090 4.355 4.287 4.396 . 0 0 "[ . 1 . 2 .]" 1
532 1 34 LYS HA 1 34 LYS QD 3.570 . 5.340 3.479 1.979 3.978 . 0 0 "[ . 1 . 2 .]" 1
533 1 34 LYS HA 1 34 LYS QE 4.095 . 6.390 4.195 3.639 4.491 . 0 0 "[ . 1 . 2 .]" 1
534 1 34 LYS HA 1 37 SER H 2.860 . 3.920 3.941 3.904 3.976 0.056 15 0 "[ . 1 . 2 .]" 1
535 1 34 LYS HA 1 38 LEU H 2.750 . 3.700 3.636 3.543 3.731 0.031 22 0 "[ . 1 . 2 .]" 1
536 1 34 LYS HA 1 39 GLY HA2 2.750 . 3.700 3.711 3.613 3.778 0.078 16 0 "[ . 1 . 2 .]" 1
537 1 34 LYS QB 1 35 ARG H 2.965 . 4.130 2.562 2.522 2.610 . 0 0 "[ . 1 . 2 .]" 1
538 1 34 LYS HG2 1 39 GLY HA3 3.450 . 5.100 3.679 3.402 3.971 . 0 0 "[ . 1 . 2 .]" 1
539 1 34 LYS HG2 1 42 ILE MD 3.885 . 5.970 3.433 2.486 4.791 . 0 0 "[ . 1 . 2 .]" 1
540 1 34 LYS HG3 1 39 GLY HA3 3.450 . 5.100 4.596 3.712 5.143 0.043 21 0 "[ . 1 . 2 .]" 1
541 1 34 LYS HG3 1 42 ILE MD 3.885 . 5.970 3.295 2.723 4.300 . 0 0 "[ . 1 . 2 .]" 1
542 1 34 LYS QG 1 39 GLY HA3 3.240 . 4.680 3.502 3.285 3.791 . 0 0 "[ . 1 . 2 .]" 1
543 1 34 LYS QD 1 42 ILE MD 4.610 . 7.420 4.324 3.462 5.218 . 0 0 "[ . 1 . 2 .]" 1
544 1 34 LYS QE 1 42 ILE MG 4.610 . 7.420 5.342 5.141 5.456 . 0 0 "[ . 1 . 2 .]" 1
545 1 34 LYS QE 1 42 ILE MD 4.375 . 6.950 2.981 2.259 3.546 . 0 0 "[ . 1 . 2 .]" 1
546 1 34 LYS QE 1 44 VAL MG2 4.610 . 7.420 3.024 1.915 3.992 . 0 0 "[ . 1 . 2 .]" 1
547 1 35 ARG H 1 35 ARG QB 2.825 . 3.850 2.175 2.059 2.260 . 0 0 "[ . 1 . 2 .]" 1
548 1 35 ARG H 1 35 ARG QG 3.630 . 5.460 3.829 3.055 4.058 . 0 0 "[ . 1 . 2 .]" 1
549 1 35 ARG H 1 36 ARG H 2.580 . 3.360 2.510 2.489 2.538 . 0 0 "[ . 1 . 2 .]" 1
550 1 35 ARG HA 1 35 ARG HD2 3.310 . 4.820 3.702 2.651 4.577 . 0 0 "[ . 1 . 2 .]" 1
551 1 35 ARG HA 1 35 ARG HD3 3.310 . 4.820 3.971 2.032 4.701 . 0 0 "[ . 1 . 2 .]" 1
552 1 36 ARG H 1 37 SER H 2.550 . 3.300 2.673 2.660 2.690 . 0 0 "[ . 1 . 2 .]" 1
553 1 36 ARG HA 1 36 ARG HG2 2.935 . 4.070 2.269 2.149 2.537 . 0 0 "[ . 1 . 2 .]" 1
554 1 36 ARG HA 1 36 ARG HG3 2.935 . 4.070 3.118 2.689 3.550 . 0 0 "[ . 1 . 2 .]" 1
555 1 36 ARG HA 1 36 ARG QG 2.735 . 3.670 2.204 2.123 2.321 . 0 0 "[ . 1 . 2 .]" 1
556 1 36 ARG HA 1 36 ARG HD2 3.260 . 4.720 4.581 4.265 4.721 0.001 14 0 "[ . 1 . 2 .]" 1
557 1 36 ARG HA 1 36 ARG HD3 3.260 . 4.720 4.117 3.603 4.410 . 0 0 "[ . 1 . 2 .]" 1
558 1 36 ARG HA 1 36 ARG QD 3.190 . 4.580 3.830 3.465 4.019 . 0 0 "[ . 1 . 2 .]" 1
559 1 36 ARG HB2 1 37 SER H 2.815 . 3.830 3.770 3.649 3.814 . 0 0 "[ . 1 . 2 .]" 1
560 1 36 ARG HB2 1 38 LEU MD1 3.995 . 6.190 5.063 4.928 5.130 . 0 0 "[ . 1 . 2 .]" 1
561 1 36 ARG HB3 1 36 ARG HD2 2.970 . 4.140 3.253 2.440 3.554 . 0 0 "[ . 1 . 2 .]" 1
562 1 36 ARG HB3 1 36 ARG HD3 2.970 . 4.140 2.242 1.974 2.654 . 0 0 "[ . 1 . 2 .]" 1
563 1 36 ARG HB3 1 36 ARG QD 2.790 . 3.780 2.182 1.956 2.404 . 0 0 "[ . 1 . 2 .]" 1
564 1 36 ARG HB3 1 38 LEU MD1 4.055 . 6.310 4.239 4.151 4.387 . 0 0 "[ . 1 . 2 .]" 1
565 1 36 ARG QG 1 37 SER H 3.755 . 5.710 4.632 4.567 4.657 . 0 0 "[ . 1 . 2 .]" 1
566 1 36 ARG QD 1 38 LEU MD2 4.300 . 6.800 3.707 3.486 4.362 . 0 0 "[ . 1 . 2 .]" 1
567 1 37 SER H 1 37 SER QB 2.850 . 3.900 2.959 2.933 2.981 . 0 0 "[ . 1 . 2 .]" 1
568 1 37 SER H 1 38 LEU H 2.565 . 3.330 2.611 2.585 2.654 . 0 0 "[ . 1 . 2 .]" 1
569 1 37 SER HA 1 39 GLY H 3.015 . 4.230 3.379 3.313 3.428 . 0 0 "[ . 1 . 2 .]" 1
570 1 38 LEU H 1 38 LEU MD2 4.165 . 6.530 4.493 4.347 4.536 . 0 0 "[ . 1 . 2 .]" 1
571 1 38 LEU H 1 39 GLY H 2.595 . 3.390 2.382 2.160 2.494 . 0 0 "[ . 1 . 2 .]" 1
572 1 38 LEU HA 1 38 LEU MD1 2.830 . 3.860 2.161 1.976 2.595 . 0 0 "[ . 1 . 2 .]" 1
573 1 38 LEU HA 1 41 ILE MD 4.165 . 6.530 5.346 5.330 5.377 . 0 0 "[ . 1 . 2 .]" 1
574 1 38 LEU HG 1 41 ILE HB 3.170 . 4.540 2.059 1.965 2.486 . 0 0 "[ . 1 . 2 .]" 1
575 1 38 LEU MD1 1 41 ILE HB 4.165 . 6.530 2.993 2.673 3.109 . 0 0 "[ . 1 . 2 .]" 1
576 1 39 GLY H 1 39 GLY HA3 2.350 . 2.900 2.302 2.294 2.310 . 0 0 "[ . 1 . 2 .]" 1
577 1 39 GLY HA3 1 42 ILE MG 3.950 . 6.100 4.914 4.020 5.087 . 0 0 "[ . 1 . 2 .]" 1
578 1 39 GLY HA3 1 42 ILE HG12 3.215 . 4.630 3.444 3.174 3.610 . 0 0 "[ . 1 . 2 .]" 1
579 1 39 GLY HA3 1 42 ILE HG13 3.215 . 4.630 3.980 3.686 4.407 . 0 0 "[ . 1 . 2 .]" 1
580 1 39 GLY HA3 1 42 ILE MD 3.805 . 5.810 3.159 2.894 4.568 . 0 0 "[ . 1 . 2 .]" 1
581 1 39 GLY HA3 1 44 VAL MG1 3.915 . 6.030 4.780 3.604 4.980 . 0 0 "[ . 1 . 2 .]" 1
582 1 39 GLY HA3 1 44 VAL MG2 3.855 . 5.910 3.900 2.063 4.781 . 0 0 "[ . 1 . 2 .]" 1
583 1 39 GLY HA2 1 42 ILE HB 3.245 . 4.690 4.779 4.722 4.860 0.170 16 0 "[ . 1 . 2 .]" 1
584 1 39 GLY HA2 1 42 ILE HG12 3.355 . 4.910 1.996 1.892 2.463 . 0 0 "[ . 1 . 2 .]" 1
585 1 39 GLY HA2 1 42 ILE HG13 3.355 . 4.910 3.118 2.787 3.548 . 0 0 "[ . 1 . 2 .]" 1
586 1 39 GLY HA2 1 42 ILE MD 3.295 . 4.790 2.337 2.029 4.020 . 0 0 "[ . 1 . 2 .]" 1
587 1 40 HIS HA 1 40 HIS HB2 2.335 . 2.870 2.499 2.392 2.606 . 0 0 "[ . 1 . 2 .]" 1
588 1 40 HIS HA 1 40 HIS HB3 2.335 . 2.870 2.595 2.380 3.014 0.144 12 0 "[ . 1 . 2 .]" 1
589 1 40 HIS HA 1 44 VAL MG2 4.165 . 6.530 4.852 3.698 5.442 . 0 0 "[ . 1 . 2 .]" 1
590 1 40 HIS HD2 1 41 ILE MD 3.685 . 5.570 3.466 2.618 4.507 . 0 0 "[ . 1 . 2 .]" 1
591 1 41 ILE H 1 41 ILE HB 2.580 . 3.360 2.294 2.253 2.418 . 0 0 "[ . 1 . 2 .]" 1
592 1 41 ILE MG 1 42 ILE HA 4.040 . 6.280 3.281 3.079 3.378 . 0 0 "[ . 1 . 2 .]" 1
593 1 41 ILE MG 1 42 ILE MG 4.150 . 6.500 2.112 1.832 2.315 . 0 0 "[ . 1 . 2 .]" 1
594 1 42 ILE HA 1 43 SER H 2.675 . 3.550 2.506 2.252 3.475 . 0 0 "[ . 1 . 2 .]" 1
595 1 42 ILE MG 1 43 SER HA 4.165 . 6.530 5.510 5.442 5.645 . 0 0 "[ . 1 . 2 .]" 1
596 1 42 ILE MG 1 44 VAL MG1 4.680 . 7.560 5.239 5.151 5.293 . 0 0 "[ . 1 . 2 .]" 1
597 1 42 ILE MG 1 44 VAL MG2 4.150 . 6.500 3.522 3.278 3.930 . 0 0 "[ . 1 . 2 .]" 1
598 1 42 ILE QG 1 44 VAL H 4.095 . 6.390 2.849 2.423 3.143 . 0 0 "[ . 1 . 2 .]" 1
599 1 42 ILE QG 1 44 VAL MG2 4.005 . 6.210 1.896 1.731 2.040 0.069 16 0 "[ . 1 . 2 .]" 1
600 1 42 ILE MD 1 44 VAL MG1 4.680 . 7.560 2.917 2.327 3.084 . 0 0 "[ . 1 . 2 .]" 1
601 1 42 ILE MD 1 44 VAL MG2 4.680 . 7.560 1.811 1.723 2.070 0.077 20 0 "[ . 1 . 2 .]" 1
602 1 43 SER H 1 44 VAL H 3.075 . 4.350 3.546 2.817 3.772 . 0 0 "[ . 1 . 2 .]" 1
603 1 43 SER HA 1 44 VAL H 2.270 . 2.740 2.453 2.324 2.614 . 0 0 "[ . 1 . 2 .]" 1
604 1 43 SER HA 1 44 VAL MG2 4.165 . 6.530 3.985 3.725 4.180 . 0 0 "[ . 1 . 2 .]" 1
605 1 43 SER QB 1 44 VAL HA 3.645 . 5.490 4.658 4.528 4.808 . 0 0 "[ . 1 . 2 .]" 1
606 1 43 SER QB 1 44 VAL MG2 4.610 . 7.420 4.327 3.856 4.864 . 0 0 "[ . 1 . 2 .]" 1
607 1 44 VAL H 1 44 VAL HB 2.505 . 3.210 2.792 2.639 2.956 . 0 0 "[ . 1 . 2 .]" 1
608 1 44 VAL H 1 44 VAL MG2 3.095 . 4.390 2.315 1.876 2.644 . 0 0 "[ . 1 . 2 .]" 1
609 1 44 VAL MG1 1 45 SER HA 4.165 . 6.530 4.005 3.669 4.464 . 0 0 "[ . 1 . 2 .]" 1
610 1 44 VAL MG2 1 46 SER H 4.165 . 6.530 5.512 5.451 5.554 . 0 0 "[ . 1 . 2 .]" 1
611 1 45 SER HA 1 46 SER H 2.505 . 3.210 2.248 2.241 2.253 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 30
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 123.933
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0144
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 6 ASP 0.230 0.069 17 0 "[ . 1 . 2 .]"
1 7 GLU 0.139 0.021 17 0 "[ . 1 . 2 .]"
1 9 LEU 1.050 0.071 21 0 "[ . 1 . 2 .]"
1 10 ILE 0.230 0.069 17 0 "[ . 1 . 2 .]"
1 11 GLU 0.905 0.080 21 0 "[ . 1 . 2 .]"
1 13 TYR 1.099 0.071 21 0 "[ . 1 . 2 .]"
1 14 PHE 0.967 0.052 9 0 "[ . 1 . 2 .]"
1 15 LYS 0.766 0.080 21 0 "[ . 1 . 2 .]"
1 16 ALA 0.924 0.058 12 0 "[ . 1 . 2 .]"
1 17 THR 0.049 0.012 1 0 "[ . 1 . 2 .]"
1 18 GLU 0.967 0.052 9 0 "[ . 1 . 2 .]"
1 20 ASN 0.924 0.058 12 0 "[ . 1 . 2 .]"
1 22 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 ARG 0.035 0.011 14 0 "[ . 1 . 2 .]"
1 24 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 PHE 0.145 0.019 17 0 "[ . 1 . 2 .]"
1 27 GLU 0.035 0.011 14 0 "[ . 1 . 2 .]"
1 28 LEU 0.551 0.041 4 0 "[ . 1 . 2 .]"
1 29 ILE 0.145 0.019 17 0 "[ . 1 . 2 .]"
1 30 GLU 0.058 0.012 22 0 "[ . 1 . 2 .]"
1 32 GLU 0.551 0.041 4 0 "[ . 1 . 2 .]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LYS 0.102 0.012 22 0 "[ . 1 . 2 .]"
1 37 SER 0.044 0.008 23 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 6 ASP O 1 10 ILE N 3.000 2.700 3.300 2.738 2.631 2.846 0.069 17 0 "[ . 1 . 2 .]" 2
2 1 6 ASP O 1 10 ILE H 2.000 . 2.300 1.847 1.751 1.966 . 0 0 "[ . 1 . 2 .]" 2
3 1 7 GLU O 1 11 GLU N 3.000 2.700 3.300 3.081 2.881 3.181 . 0 0 "[ . 1 . 2 .]" 2
4 1 7 GLU O 1 11 GLU H 2.000 . 2.300 2.272 2.128 2.321 0.021 17 0 "[ . 1 . 2 .]" 2
5 1 9 LEU O 1 13 TYR N 3.000 2.700 3.300 3.271 3.206 3.305 0.005 1 0 "[ . 1 . 2 .]" 2
6 1 9 LEU O 1 13 TYR H 2.000 . 2.300 2.341 2.289 2.371 0.071 21 0 "[ . 1 . 2 .]" 2
7 1 11 GLU O 1 15 LYS N 3.000 2.700 3.300 2.671 2.620 2.730 0.080 21 0 "[ . 1 . 2 .]" 2
8 1 11 GLU O 1 15 LYS H 2.000 . 2.300 1.789 1.688 1.900 0.012 14 0 "[ . 1 . 2 .]" 2
9 1 13 TYR O 1 17 THR N 3.000 2.700 3.300 3.075 2.963 3.162 . 0 0 "[ . 1 . 2 .]" 2
10 1 13 TYR O 1 17 THR H 2.000 . 2.300 2.242 2.131 2.312 0.012 1 0 "[ . 1 . 2 .]" 2
11 1 14 PHE O 1 18 GLU N 3.000 2.700 3.300 3.170 3.132 3.193 . 0 0 "[ . 1 . 2 .]" 2
12 1 14 PHE O 1 18 GLU H 2.000 . 2.300 2.339 2.322 2.352 0.052 9 0 "[ . 1 . 2 .]" 2
13 1 16 ALA O 1 20 ASN N 3.000 2.700 3.300 2.663 2.642 2.677 0.058 12 0 "[ . 1 . 2 .]" 2
14 1 16 ALA O 1 20 ASN H 2.000 . 2.300 2.007 1.977 2.087 . 0 0 "[ . 1 . 2 .]" 2
15 1 22 ASN O 1 25 PHE N 3.000 2.700 3.300 2.892 2.789 3.015 . 0 0 "[ . 1 . 2 .]" 2
16 1 22 ASN O 1 25 PHE H 2.000 . 2.300 2.140 2.010 2.292 . 0 0 "[ . 1 . 2 .]" 2
17 1 23 ARG O 1 27 GLU N 3.000 2.700 3.300 2.747 2.689 2.937 0.011 14 0 "[ . 1 . 2 .]" 2
18 1 23 ARG O 1 27 GLU H 2.000 . 2.300 1.816 1.743 2.033 . 0 0 "[ . 1 . 2 .]" 2
19 1 24 ASP O 1 28 LEU N 3.000 2.700 3.300 2.792 2.722 2.890 . 0 0 "[ . 1 . 2 .]" 2
20 1 24 ASP O 1 28 LEU H 2.000 . 2.300 2.016 1.919 2.109 . 0 0 "[ . 1 . 2 .]" 2
21 1 25 PHE O 1 29 ILE N 3.000 2.700 3.300 2.703 2.681 2.751 0.019 17 0 "[ . 1 . 2 .]" 2
22 1 25 PHE O 1 29 ILE H 2.000 . 2.300 1.750 1.725 1.794 . 0 0 "[ . 1 . 2 .]" 2
23 1 28 LEU O 1 32 GLU N 3.000 2.700 3.300 3.121 3.098 3.162 . 0 0 "[ . 1 . 2 .]" 2
24 1 28 LEU O 1 32 GLU H 2.000 . 2.300 2.322 2.294 2.341 0.041 4 0 "[ . 1 . 2 .]" 2
25 1 29 ILE O 1 33 ILE N 3.000 2.700 3.300 3.115 3.071 3.169 . 0 0 "[ . 1 . 2 .]" 2
26 1 29 ILE O 1 33 ILE H 2.000 . 2.300 2.174 2.132 2.222 . 0 0 "[ . 1 . 2 .]" 2
27 1 30 GLU O 1 34 LYS N 3.000 2.700 3.300 2.747 2.688 2.823 0.012 22 0 "[ . 1 . 2 .]" 2
28 1 30 GLU O 1 34 LYS H 2.000 . 2.300 1.940 1.859 2.023 . 0 0 "[ . 1 . 2 .]" 2
29 1 34 LYS O 1 37 SER N 3.000 2.700 3.300 3.200 3.121 3.229 . 0 0 "[ . 1 . 2 .]" 2
30 1 34 LYS O 1 37 SER H 2.000 . 2.300 2.284 2.212 2.308 0.008 23 0 "[ . 1 . 2 .]" 2
stop_
save_
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