NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454733 |
3ctn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_3ctn
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 1017
_Distance_constraint_stats_list.Viol_count 402
_Distance_constraint_stats_list.Viol_total 436.630
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0362
_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 LYS 0.001 0.001 7 0 "[ . 1 . 2 . 3]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 SER 0.041 0.040 17 0 "[ . 1 . 2 . 3]"
1 5 LYS 0.040 0.040 17 0 "[ . 1 . 2 . 3]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.065 0.019 24 0 "[ . 1 . 2 . 3]"
1 8 THR 0.690 0.115 24 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.192 0.050 23 0 "[ . 1 . 2 . 3]"
1 10 GLU 0.364 0.115 24 0 "[ . 1 . 2 . 3]"
1 11 GLU 0.152 0.044 9 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.068 0.038 23 0 "[ . 1 . 2 . 3]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 ASP 0.316 0.028 7 0 "[ . 1 . 2 . 3]"
1 15 LEU 0.003 0.002 29 0 "[ . 1 . 2 . 3]"
1 16 PHE 0.227 0.054 1 0 "[ . 1 . 2 . 3]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 MET 0.317 0.028 7 0 "[ . 1 . 2 . 3]"
1 19 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ASN 0.091 0.033 11 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.087 0.033 11 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.004 0.003 7 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.014 0.014 10 0 "[ . 1 . 2 . 3]"
1 26 TYR 0.207 0.042 6 0 "[ . 1 . 2 . 3]"
1 27 ILE 2.502 0.130 29 0 "[ . 1 . 2 . 3]"
1 28 ASP 0.305 0.069 20 0 "[ . 1 . 2 . 3]"
1 29 LEU 0.118 0.035 7 0 "[ . 1 . 2 . 3]"
1 30 GLU 0.091 0.033 13 0 "[ . 1 . 2 . 3]"
1 31 GLU 1.945 0.130 29 0 "[ . 1 . 2 . 3]"
1 32 LEU 1.686 0.102 29 0 "[ . 1 . 2 . 3]"
1 33 LYS 1.255 0.102 29 0 "[ . 1 . 2 . 3]"
1 34 ILE 0.212 0.113 21 0 "[ . 1 . 2 . 3]"
1 35 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 36 LEU 4.546 0.152 13 0 "[ . 1 . 2 . 3]"
1 37 GLN 0.086 0.031 10 0 "[ . 1 . 2 . 3]"
1 38 ALA 0.728 0.051 26 0 "[ . 1 . 2 . 3]"
1 39 THR 3.535 0.152 13 0 "[ . 1 . 2 . 3]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 GLU 0.349 0.113 21 0 "[ . 1 . 2 . 3]"
1 42 THR 0.296 0.113 21 0 "[ . 1 . 2 . 3]"
1 43 ILE 1.938 0.167 30 0 "[ . 1 . 2 . 3]"
1 44 THR 0.013 0.008 9 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 ASP 0.008 0.008 9 0 "[ . 1 . 2 . 3]"
1 48 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 MET 0.184 0.101 1 0 "[ . 1 . 2 . 3]"
1 53 LYS 0.003 0.003 18 0 "[ . 1 . 2 . 3]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 GLY 0.014 0.007 15 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.010 0.007 15 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.029 0.009 9 0 "[ . 1 . 2 . 3]"
1 58 ASN 0.401 0.078 28 0 "[ . 1 . 2 . 3]"
1 59 ASN 0.363 0.078 28 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.009 0.009 28 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 62 ARG 0.227 0.035 1 0 "[ . 1 . 2 . 3]"
1 63 ILE 1.184 0.138 6 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 TYR 0.222 0.022 17 0 "[ . 1 . 2 . 3]"
1 66 ASP 0.075 0.022 17 0 "[ . 1 . 2 . 3]"
1 67 GLU 0.035 0.020 18 0 "[ . 1 . 2 . 3]"
1 68 PHE 0.227 0.044 9 0 "[ . 1 . 2 . 3]"
1 69 LEU 0.170 0.025 9 0 "[ . 1 . 2 . 3]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 71 PHE 0.017 0.013 30 0 "[ . 1 . 2 . 3]"
1 72 MET 0.316 0.044 9 0 "[ . 1 . 2 . 3]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.017 0.013 30 0 "[ . 1 . 2 . 3]"
1 75 VAL 0.032 0.032 22 0 "[ . 1 . 2 . 3]"
1 76 GLU 0.032 0.032 22 0 "[ . 1 . 2 . 3]"
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 2 ASP H 1 2 ASP QB 3.440 . 5.180 2.401 2.020 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 LYS QB 1 2 ASP H 3.770 . 5.840 2.877 1.999 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 LYS QG 1 2 ASP H 3.850 . 6.000 3.611 2.312 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 LYS HA 1 2 ASP H 2.880 . 4.060 2.971 2.211 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 LYS QD 1 2 ASP H 3.850 . 6.000 4.428 3.041 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 LYS QE 1 2 ASP H 3.850 . 6.000 4.608 2.914 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 1 LYS HA 1 3 ASP H 3.850 . 6.000 4.318 3.488 5.920 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 ASP H 1 3 ASP QB 3.440 . 5.180 2.480 2.092 3.241 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 4 SER H 1 4 SER QB 3.220 . 4.740 2.648 1.933 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 4 SER H 1 5 LYS H 2.740 . 3.780 2.915 1.874 3.820 0.040 17 0 "[ . 1 . 2 . 3]" 1
11 1 4 SER H 1 4 SER HA 2.890 . 4.080 2.796 2.364 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 ASP QB 1 4 SER H 3.140 . 4.580 3.070 1.833 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 1 LYS HA 1 4 SER H 3.540 . 5.380 4.850 3.643 5.381 0.001 7 0 "[ . 1 . 2 . 3]" 1
14 1 5 LYS H 1 5 LYS QD 3.850 . 6.000 4.310 2.641 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 5 LYS H 1 5 LYS QB 3.580 . 5.460 2.557 1.968 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 4 SER QB 1 5 LYS H 3.850 . 6.000 3.367 1.918 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 ASP QB 1 5 LYS H 3.850 . 6.000 4.637 3.094 5.336 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 5 LYS QB 1 6 GLY H 3.850 . 6.000 2.957 1.851 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 5 LYS HA 1 6 GLY H 2.930 . 4.160 2.791 2.212 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 7 LYS H 1 7 LYS HA 2.850 . 4.000 2.836 2.362 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 8 THR H 1 11 GLU H 3.120 . 4.540 3.349 2.543 4.548 0.008 9 0 "[ . 1 . 2 . 3]" 1
22 1 8 THR H 1 9 GLU H 3.150 . 4.600 4.477 4.247 4.650 0.050 23 0 "[ . 1 . 2 . 3]" 1
23 1 8 THR H 1 8 THR HA 2.620 . 3.540 2.915 2.352 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 8 THR H 1 8 THR HB 2.850 . 4.000 3.513 2.451 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 8 THR H 1 8 THR MG 2.770 . 3.850 2.554 2.018 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 7 LYS H 1 8 THR H 2.980 . 4.260 3.819 3.164 4.274 0.014 6 0 "[ . 1 . 2 . 3]" 1
27 1 7 LYS QB 1 8 THR H 3.070 . 4.440 3.752 1.853 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 LYS HA 1 8 THR H 2.500 . 3.290 2.348 2.206 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 7 LYS QG 1 8 THR H 3.120 . 4.540 3.718 2.214 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 9 GLU H 1 12 LEU QD 3.850 . 6.000 3.938 3.015 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 9 GLU H 1 9 GLU HA 2.850 . 4.000 2.855 2.794 2.902 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 THR HB 1 9 GLU H 2.840 . 3.980 2.248 1.859 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 9 GLU H 1 9 GLU QB 2.630 . 3.570 2.191 1.922 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 THR HA 1 9 GLU H 2.540 . 3.380 2.698 2.534 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 8 THR MG 1 9 GLU H 3.630 . 5.560 3.460 2.562 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 9 GLU H 1 10 GLU H 2.900 . 4.100 2.681 2.546 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 10 GLU H 1 11 GLU H 2.730 . 3.770 2.524 2.356 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 THR HB 1 10 GLU H 2.760 . 3.820 3.017 2.349 3.935 0.115 24 0 "[ . 1 . 2 . 3]" 1
39 1 10 GLU H 1 10 GLU HA 2.810 . 3.920 2.915 2.850 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 8 THR HA 1 10 GLU H 3.450 . 5.200 4.173 3.929 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 8 THR MG 1 10 GLU H 3.850 . 6.000 3.979 1.797 4.353 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 9 GLU HA 1 10 GLU H 2.910 . 4.120 3.446 3.376 3.508 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 7 LYS HA 1 10 GLU H 3.850 . 6.000 5.910 5.688 6.019 0.019 24 0 "[ . 1 . 2 . 3]" 1
44 1 7 LYS HA 1 11 GLU H 3.780 . 5.860 4.348 3.740 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 THR HA 1 11 GLU H 3.260 . 4.820 4.774 4.633 4.864 0.044 9 0 "[ . 1 . 2 . 3]" 1
46 1 11 GLU H 1 11 GLU QG 3.060 . 4.410 3.082 2.032 3.802 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 9 GLU HA 1 11 GLU H 3.440 . 5.180 4.329 3.818 4.958 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 11 GLU H 1 11 GLU HA 2.610 . 3.530 2.918 2.823 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 11 GLU H 1 12 LEU H 2.510 . 3.320 2.506 2.289 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 11 GLU H 1 13 SER H 3.470 . 5.240 4.339 3.776 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 THR HB 1 11 GLU H 3.350 . 5.000 4.557 4.094 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 11 GLU HA 1 12 LEU H 2.800 . 3.900 3.502 3.342 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 12 LEU H 1 12 LEU HA 2.600 . 3.500 2.859 2.782 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 12 LEU H 1 12 LEU HG 2.620 . 3.540 2.991 2.057 3.578 0.038 23 0 "[ . 1 . 2 . 3]" 1
55 1 12 LEU H 1 13 SER H 2.810 . 3.920 2.728 2.338 3.127 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 11 GLU HB2 1 12 LEU H 2.680 . 3.660 3.050 2.228 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 12 LEU H 1 12 LEU HB3 2.770 . 3.850 3.436 3.271 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 GLU HA 1 12 LEU H 2.870 . 4.040 3.506 3.148 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 13 SER H 1 14 ASP HB2 3.850 . 6.000 4.598 4.246 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 12 LEU HB2 1 13 SER H 3.000 . 4.290 2.750 2.291 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 11 GLU HA 1 13 SER H 3.760 . 5.820 4.344 3.799 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 13 SER H 1 15 LEU H 3.710 . 5.710 4.089 3.721 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 12 LEU HG 1 13 SER H 3.850 . 6.000 4.700 4.107 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 13 SER H 1 14 ASP H 2.880 . 4.050 2.823 2.507 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 12 LEU HB3 1 13 SER H 3.370 . 5.040 3.236 2.256 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 13 SER H 1 65 TYR QE 3.850 . 6.000 3.415 2.061 4.926 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 9 GLU HA 1 13 SER H 3.830 . 5.950 4.501 3.207 5.692 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 14 ASP H 1 14 ASP HB3 2.810 . 3.920 3.428 3.212 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 14 ASP H 1 14 ASP HB2 2.580 . 3.460 2.170 1.942 2.607 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 14 ASP H 1 14 ASP HA 2.610 . 3.530 2.834 2.758 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 14 ASP HB2 1 15 LEU H 2.850 . 4.000 2.904 2.479 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 14 ASP HA 1 15 LEU H 3.030 . 4.360 3.535 3.409 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 14 ASP HB3 1 15 LEU H 2.960 . 4.220 3.423 2.791 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 15 LEU H 1 15 LEU QD 3.270 . 4.840 3.165 2.281 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 15 LEU H 1 15 LEU QB 2.600 . 3.500 2.096 1.947 2.283 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 15 LEU H 1 16 PHE H 2.580 . 3.460 2.665 2.441 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 15 LEU H 1 15 LEU HA 2.610 . 3.520 2.875 2.818 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 14 ASP H 1 15 LEU H 2.650 . 3.600 2.755 2.552 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 16 PHE H 1 16 PHE QD 3.270 . 4.840 4.107 3.910 4.185 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 16 PHE H 1 68 PHE QE 3.480 . 5.250 3.775 2.917 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 16 PHE H 1 16 PHE QB 2.640 . 3.580 2.161 2.052 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 16 PHE H 1 16 PHE HA 2.670 . 3.630 2.857 2.777 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 16 PHE H 1 17 ARG H 2.710 . 3.710 2.801 2.155 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 16 PHE H 1 19 PHE QD 3.660 . 5.620 4.758 4.054 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 16 PHE H 1 65 TYR QE 3.850 . 6.000 5.142 4.658 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 15 LEU QB 1 16 PHE H 2.890 . 4.080 2.598 2.292 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 16 PHE H 1 68 PHE QD 3.850 . 6.000 4.918 4.422 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 15 LEU QD 1 16 PHE H 3.850 . 6.000 3.939 3.454 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 15 LEU HA 1 16 PHE H 3.400 . 5.100 3.549 3.407 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 14 ASP HA 1 16 PHE H 3.540 . 5.370 4.375 3.539 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 17 ARG H 1 19 PHE H 3.680 . 5.660 4.089 3.848 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 13 SER QB 1 17 ARG H 3.850 . 6.000 5.226 4.827 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 17 ARG H 1 17 ARG QG 3.240 . 4.780 3.412 1.905 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 15 LEU H 1 17 ARG H 3.460 . 5.220 4.440 4.016 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 16 PHE HA 1 17 ARG H 3.020 . 4.330 3.583 3.553 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 16 PHE QD 1 17 ARG H 3.370 . 5.040 2.927 2.280 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 14 ASP HA 1 17 ARG H 2.930 . 4.160 3.697 3.178 4.041 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 13 SER HA 1 17 ARG H 3.330 . 4.960 4.528 4.098 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 16 PHE QB 1 17 ARG H 2.950 . 4.200 2.290 1.949 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 14 ASP HB3 1 17 ARG H 3.830 . 5.960 5.685 5.373 5.957 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 17 ARG H 1 17 ARG HA 2.610 . 3.520 2.903 2.857 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 15 LEU HA 1 17 ARG H 3.480 . 5.260 4.749 4.232 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 18 MET H 1 19 PHE H 2.420 . 3.150 2.357 2.030 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 15 LEU HA 1 19 PHE H 3.320 . 4.940 4.323 3.958 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 19 PHE H 1 19 PHE HB2 2.520 . 3.330 2.261 2.032 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 19 PHE H 1 20 ASP H 2.430 . 3.160 2.096 1.870 2.459 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 19 PHE H 1 19 PHE HB3 2.790 . 3.870 3.483 3.360 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 19 PHE H 1 19 PHE HA 2.480 . 3.270 2.996 2.947 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 18 MET QB 1 19 PHE H 2.730 . 3.750 3.133 2.704 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 16 PHE HA 1 19 PHE H 3.080 . 4.460 3.708 3.344 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 19 PHE H 1 27 ILE MD 3.850 . 6.000 3.850 3.578 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 17 ARG HA 1 20 ASP H 3.100 . 4.500 3.580 3.248 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 20 ASP H 1 27 ILE MD 3.670 . 5.640 3.033 2.574 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 20 ASP H 1 20 ASP HA 2.710 . 3.710 2.880 2.793 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 20 ASP QB 1 21 LYS H 3.410 . 5.120 4.037 4.016 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 21 LYS H 1 23 ALA H 3.520 . 5.340 4.043 3.803 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 21 LYS H 1 21 LYS HA 2.810 . 3.920 2.831 2.774 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 21 LYS H 1 31 GLU QB 2.880 . 4.050 2.847 2.344 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 20 ASP HA 1 21 LYS H 2.380 . 3.050 2.398 2.322 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 21 LYS H 1 31 GLU HA 3.650 . 5.600 4.263 3.735 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 21 LYS H 1 31 GLU QG 3.730 . 5.760 3.455 2.795 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 21 LYS H 1 22 ASN H 2.620 . 3.540 2.768 2.639 3.013 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 21 LYS H 1 21 LYS QB 2.650 . 3.610 2.149 1.959 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 21 LYS H 1 27 ILE HA 3.790 . 5.870 5.385 4.927 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 21 LYS H 1 21 LYS QD 3.610 . 5.520 4.299 3.704 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 21 LYS H 1 27 ILE MD 3.850 . 6.000 3.308 2.995 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 22 ASN H 1 23 ALA MB 3.850 . 6.000 4.457 4.353 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 22 ASN H 1 22 ASN HB3 2.870 . 4.040 2.288 2.115 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 21 LYS QB 1 22 ASN H 3.380 . 5.050 2.574 2.248 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 21 LYS HA 1 22 ASN H 2.950 . 4.200 3.556 3.504 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 22 ASN H 1 22 ASN HB2 3.100 . 4.500 2.646 1.982 2.829 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 21 LYS QD 1 22 ASN H 3.850 . 6.000 4.655 3.188 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 20 ASP HA 1 22 ASN H 3.310 . 4.920 3.546 3.243 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 22 ASN H 1 24 ASP H 3.390 . 5.080 4.937 4.556 5.083 0.003 7 0 "[ . 1 . 2 . 3]" 1
135 1 21 LYS QE 1 22 ASN H 3.850 . 6.000 4.993 3.609 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 20 ASP QB 1 22 ASN H 3.570 . 5.440 4.465 4.112 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 22 ASN H 1 31 GLU QB 3.080 . 4.460 3.480 3.185 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 22 ASN H 1 27 ILE MG 3.230 . 4.760 4.015 3.988 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 21 LYS QG 1 23 ALA H 3.850 . 6.000 5.220 4.935 5.378 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 23 ALA H 1 23 ALA MB 3.330 . 4.950 2.785 2.693 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 23 ALA H 1 23 ALA HA 2.350 . 3.000 2.366 2.360 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 23 ALA H 1 24 ASP H 3.130 . 4.560 3.059 2.655 3.302 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 23 ALA H 1 25 GLY H 3.850 . 6.000 4.610 4.041 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 22 ASN HB2 1 23 ALA H 3.080 . 4.460 4.072 3.359 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 20 ASP HA 1 23 ALA H 3.850 . 6.000 3.718 3.436 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 23 ALA H 1 31 GLU QG 3.850 . 6.000 4.949 4.461 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 21 LYS QB 1 23 ALA H 3.850 . 6.000 4.537 4.292 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 24 ASP H 1 25 GLY QA 3.850 . 6.000 3.967 3.899 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 24 ASP H 1 26 TYR QD 3.850 . 6.000 5.098 4.716 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 24 ASP H 1 24 ASP QB 3.290 . 4.870 2.888 2.733 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 23 ALA MB 1 24 ASP H 3.850 . 6.000 3.729 3.669 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 24 ASP H 1 25 GLY H 2.600 . 3.500 1.891 1.794 2.122 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 23 ALA HA 1 24 ASP H 2.670 . 3.630 2.624 2.497 2.882 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 24 ASP H 1 26 TYR HA 3.850 . 6.000 5.691 5.475 5.963 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 24 ASP QB 1 25 GLY H 3.400 . 5.090 3.861 3.610 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 16 PHE HZ 1 25 GLY H 3.850 . 6.000 5.214 4.766 5.607 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 16 PHE QE 1 25 GLY H 3.770 . 5.830 4.193 3.678 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 24 ASP HA 1 25 GLY H 2.960 . 4.210 3.281 3.176 3.476 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 25 GLY H 1 25 GLY QA 2.290 . 2.890 2.346 2.300 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 25 GLY H 1 26 TYR H 2.360 . 3.030 2.695 2.207 3.044 0.014 10 0 "[ . 1 . 2 . 3]" 1
161 1 25 GLY H 1 26 TYR HA 3.790 . 5.870 4.883 4.614 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 23 ALA MB 1 25 GLY H 3.850 . 6.000 4.679 4.510 4.989 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 25 GLY H 1 26 TYR QD 3.850 . 6.000 4.329 3.982 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 24 ASP HA 1 26 TYR H 3.340 . 4.980 4.479 4.283 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 26 TYR H 1 26 TYR HA 2.790 . 3.880 2.998 2.986 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 16 PHE HZ 1 26 TYR H 3.030 . 4.360 4.220 3.990 4.402 0.042 6 0 "[ . 1 . 2 . 3]" 1
167 1 25 GLY QA 1 26 TYR H 2.660 . 3.620 2.828 2.716 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 26 TYR H 1 26 TYR QD 3.310 . 4.910 2.293 1.977 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 26 TYR H 1 26 TYR HB3 2.790 . 3.870 3.762 3.671 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 26 TYR H 1 26 TYR HB2 2.620 . 3.540 2.618 2.430 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 24 ASP H 1 26 TYR H 2.830 . 3.950 3.277 2.888 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 16 PHE QE 1 26 TYR H 3.410 . 5.120 4.459 3.732 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 26 TYR H 1 27 ILE H 3.330 . 4.960 4.496 4.453 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 26 TYR H 1 26 TYR QE 3.770 . 5.840 4.400 4.153 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 27 ILE H 1 63 ILE MG 3.410 . 5.120 3.742 3.329 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 27 ILE H 1 27 ILE QG 2.730 . 3.770 2.678 2.543 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 26 TYR HB2 1 27 ILE H 2.770 . 3.840 3.557 3.294 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 27 ILE H 1 62 ARG HB3 2.950 . 4.200 3.521 3.030 4.235 0.035 1 0 "[ . 1 . 2 . 3]" 1
179 1 27 ILE H 1 63 ILE H 2.620 . 3.540 1.945 1.832 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 27 ILE H 1 27 ILE HB 2.400 . 3.090 2.691 2.589 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 27 ILE H 1 63 ILE HB 2.720 . 3.740 3.123 2.721 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 26 TYR HA 1 27 ILE H 2.300 . 2.900 2.482 2.377 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 27 ILE H 1 28 ASP H 3.270 . 4.840 4.384 4.200 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 16 PHE QE 1 27 ILE H 2.980 . 4.260 3.765 3.525 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 26 TYR QD 1 27 ILE H 3.200 . 4.700 4.118 3.965 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 26 TYR HB3 1 27 ILE H 2.640 . 3.580 2.582 2.413 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 27 ILE H 1 27 ILE MD 3.830 . 5.960 4.238 4.130 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 27 ILE H 1 62 ARG HA 3.120 . 4.540 3.902 3.619 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 16 PHE HZ 1 27 ILE H 2.730 . 3.750 3.502 3.055 3.804 0.054 1 0 "[ . 1 . 2 . 3]" 1
190 1 28 ASP H 1 31 GLU HA 3.460 . 5.220 5.124 4.928 5.230 0.010 10 0 "[ . 1 . 2 . 3]" 1
191 1 28 ASP H 1 28 ASP HA 2.770 . 3.840 2.986 2.970 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 27 ILE MD 1 28 ASP H 3.850 . 6.000 4.618 4.173 4.846 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 28 ASP H 1 63 ILE H 3.270 . 4.840 4.799 4.585 4.909 0.069 20 0 "[ . 1 . 2 . 3]" 1
194 1 28 ASP H 1 31 GLU QB 2.550 . 3.400 2.366 2.049 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 27 ILE HA 1 28 ASP H 2.370 . 3.040 2.232 2.172 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 28 ASP H 1 31 GLU H 2.910 . 4.120 3.410 3.011 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 28 ASP H 1 28 ASP HB2 3.020 . 4.340 3.626 3.575 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 27 ILE QG 1 28 ASP H 3.190 . 4.680 4.268 4.218 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 27 ILE MG 1 28 ASP H 2.860 . 4.020 2.506 1.821 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 27 ILE HB 1 28 ASP H 3.160 . 4.620 4.008 3.432 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 28 ASP H 1 29 LEU H 3.470 . 5.240 4.510 4.349 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 29 LEU H 1 61 GLY QA 3.450 . 5.200 4.589 4.228 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 29 LEU H 1 29 LEU HA 2.620 . 3.540 2.836 2.741 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 28 ASP HA 1 29 LEU H 2.560 . 3.420 2.600 2.354 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 28 ASP HB2 1 29 LEU H 2.560 . 3.430 2.339 1.961 2.872 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 28 ASP HB3 1 29 LEU H 2.790 . 3.880 3.718 3.478 3.895 0.015 25 0 "[ . 1 . 2 . 3]" 1
207 1 29 LEU H 1 29 LEU QD 3.410 . 5.120 3.258 1.807 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 30 GLU H 1 31 GLU H 2.440 . 3.190 2.752 2.503 3.139 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 30 GLU H 1 32 LEU H 3.140 . 4.580 4.350 3.924 4.613 0.033 13 0 "[ . 1 . 2 . 3]" 1
210 1 29 LEU H 1 30 GLU H 2.760 . 3.820 2.817 2.597 3.123 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 28 ASP HA 1 30 GLU H 3.640 . 5.580 4.626 4.044 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 29 LEU QB 1 30 GLU H 2.790 . 3.880 2.536 2.133 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 30 GLU H 1 30 GLU QB 2.580 . 3.470 2.074 1.927 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 29 LEU QD 1 30 GLU H 3.750 . 5.790 3.565 3.013 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 28 ASP HB2 1 30 GLU H 3.480 . 5.250 3.246 2.581 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 30 GLU H 1 30 GLU HA 2.610 . 3.520 2.837 2.763 2.910 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 28 ASP HB3 1 30 GLU H 3.490 . 5.280 4.632 4.161 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 31 GLU H 1 33 LYS H 3.280 . 4.860 3.974 3.699 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 31 GLU H 1 34 ILE MD 3.850 . 6.000 4.874 4.501 5.017 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 30 GLU HA 1 31 GLU H 2.930 . 4.160 3.535 3.487 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 27 ILE HA 1 31 GLU H 3.640 . 5.580 5.223 4.970 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 27 ILE MG 1 31 GLU H 3.480 . 5.260 3.517 3.239 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 30 GLU QB 1 31 GLU H 2.730 . 3.760 2.708 2.042 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 31 GLU H 1 32 LEU H 2.510 . 3.320 2.510 2.381 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 31 GLU H 1 31 GLU HA 2.830 . 3.970 2.928 2.797 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 31 GLU H 1 31 GLU QB 2.520 . 3.340 2.254 2.112 2.402 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 30 GLU QB 1 32 LEU H 3.850 . 6.000 4.831 4.445 5.104 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 32 LEU H 1 33 LYS H 2.830 . 3.970 2.725 2.656 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 31 GLU QB 1 32 LEU H 2.810 . 3.910 2.465 2.324 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 32 LEU H 1 32 LEU HB3 2.750 . 3.790 2.709 2.251 3.050 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 29 LEU H 1 32 LEU H 3.310 . 4.920 4.866 4.703 4.955 0.035 7 0 "[ . 1 . 2 . 3]" 1
232 1 31 GLU QG 1 32 LEU H 3.610 . 5.520 4.079 3.843 4.271 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 31 GLU HA 1 32 LEU H 3.330 . 4.960 3.573 3.536 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 32 LEU H 1 34 ILE H 3.650 . 5.600 4.265 4.007 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 27 ILE HB 1 32 LEU H 3.400 . 5.090 5.078 4.845 5.139 0.049 29 0 "[ . 1 . 2 . 3]" 1
236 1 32 LEU H 1 33 LYS HA 3.520 . 5.330 5.360 5.295 5.432 0.102 29 0 "[ . 1 . 2 . 3]" 1
237 1 33 LYS H 1 34 ILE H 3.140 . 4.580 2.724 2.565 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 33 LYS H 1 33 LYS QE 3.850 . 6.000 3.943 3.281 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 30 GLU HA 1 34 ILE H 3.850 . 6.000 5.104 4.734 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 34 ILE H 1 34 ILE MD 3.480 . 5.260 3.392 2.944 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 34 ILE H 1 34 ILE QG 2.830 . 3.960 2.494 2.080 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 34 ILE H 1 34 ILE MG 3.850 . 6.000 3.645 3.591 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 34 ILE H 1 35 MET H 2.750 . 3.790 2.503 2.281 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 31 GLU HA 1 34 ILE H 3.450 . 5.200 3.554 3.221 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 35 MET H 1 35 MET HA 2.610 . 3.530 2.849 2.789 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 35 MET H 1 36 LEU H 2.560 . 3.410 2.738 2.350 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 32 LEU HA 1 35 MET H 3.270 . 4.840 3.223 2.888 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 34 ILE MD 1 35 MET H 3.850 . 6.000 4.591 4.305 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 36 LEU H 1 37 GLN H 2.600 . 3.500 2.600 2.418 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 36 LEU H 1 36 LEU QD 2.990 . 4.280 2.609 2.193 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 36 LEU H 1 36 LEU HA 2.610 . 3.530 2.888 2.813 2.931 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 36 LEU HB2 1 37 GLN H 2.880 . 4.050 2.566 2.008 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 37 GLN H 1 37 GLN HE22 3.510 . 5.320 5.117 4.573 5.351 0.031 10 0 "[ . 1 . 2 . 3]" 1
254 1 37 GLN H 1 37 GLN QG 2.710 . 3.710 2.988 1.811 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 37 GLN H 1 37 GLN HA 2.730 . 3.750 2.867 2.837 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 37 GLN H 1 39 THR H 3.120 . 4.540 3.967 3.851 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 37 GLN H 1 37 GLN QB 2.880 . 4.060 2.027 1.931 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 36 LEU HA 1 38 ALA H 3.600 . 5.500 4.067 3.766 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 36 LEU HB2 1 38 ALA H 3.250 . 4.800 4.787 4.337 4.851 0.051 26 0 "[ . 1 . 2 . 3]" 1
260 1 38 ALA H 1 38 ALA MB 2.440 . 3.190 2.044 1.920 2.164 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 19 PHE QD 1 38 ALA H 3.850 . 6.000 5.350 5.260 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 38 ALA H 1 39 THR H 2.600 . 3.500 2.493 2.400 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 37 GLN QG 1 38 ALA H 3.570 . 5.440 4.104 1.826 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 37 GLN QB 1 38 ALA H 2.910 . 4.120 2.900 2.552 3.457 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 38 ALA H 1 38 ALA HA 2.610 . 3.530 2.898 2.863 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 38 ALA H 1 39 THR MG 3.850 . 6.000 4.065 3.241 4.829 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 35 MET HA 1 38 ALA H 3.170 . 4.640 3.618 3.388 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 37 GLN HA 1 38 ALA H 2.760 . 3.820 3.513 3.472 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 34 ILE HA 1 38 ALA H 3.330 . 4.950 4.359 3.815 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 34 ILE MG 1 38 ALA H 3.850 . 6.000 4.046 3.660 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 37 GLN H 1 38 ALA H 2.550 . 3.400 2.596 2.547 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 36 LEU H 1 38 ALA H 3.500 . 5.300 4.005 3.735 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 36 LEU HB2 1 39 THR H 3.370 . 5.040 5.158 5.094 5.192 0.152 13 0 "[ . 1 . 2 . 3]" 1
274 1 36 LEU MD2 1 39 THR H 3.850 . 6.000 4.833 4.576 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 38 ALA HA 1 39 THR H 2.790 . 3.870 3.468 3.430 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 38 ALA MB 1 39 THR H 3.100 . 4.500 2.890 2.750 3.042 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 36 LEU HA 1 39 THR H 3.230 . 4.760 3.358 3.194 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 39 THR H 1 39 THR MG 3.180 . 4.660 2.541 1.802 3.233 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 37 GLN HA 1 39 THR H 3.540 . 5.380 3.819 3.645 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 37 GLN QB 1 40 GLY H 3.850 . 6.000 4.629 4.393 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 38 ALA MB 1 40 GLY H 3.850 . 6.000 4.456 4.323 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 39 THR MG 1 40 GLY H 3.850 . 6.000 3.591 2.066 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 40 GLY H 1 40 GLY QA 2.560 . 3.410 2.462 2.252 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 39 THR HA 1 40 GLY H 3.050 . 4.400 3.290 2.919 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 39 THR H 1 40 GLY H 2.880 . 4.050 2.184 2.033 2.355 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 37 GLN QG 1 40 GLY H 3.500 . 5.300 4.759 4.727 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 41 GLU H 1 41 GLU HB3 3.170 . 4.630 3.583 3.179 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 40 GLY QA 1 41 GLU H 2.980 . 4.260 2.283 2.150 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 41 GLU HB3 1 42 THR H 3.450 . 5.200 3.583 1.865 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 42 THR H 1 42 THR MG 3.750 . 5.800 3.151 1.856 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 43 ILE H 1 48 ILE QG 3.850 . 6.000 4.900 3.396 5.371 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 41 GLU HB3 1 43 ILE H 3.850 . 6.000 5.312 3.858 6.040 0.040 16 0 "[ . 1 . 2 . 3]" 1
293 1 43 ILE H 1 43 ILE QG 3.410 . 5.120 2.429 1.797 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 42 THR HA 1 43 ILE H 2.790 . 3.890 2.740 2.209 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 43 ILE H 1 43 ILE MG 3.850 . 6.000 3.115 2.014 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 43 ILE H 1 43 ILE HB 3.120 . 4.540 3.149 2.158 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 43 ILE H 1 44 THR H 3.850 . 6.000 4.403 3.011 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 42 THR HB 1 43 ILE H 3.620 . 5.540 3.946 1.888 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 42 THR H 1 43 ILE H 3.850 . 6.000 3.364 1.852 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 37 GLN QG 1 43 ILE H 3.850 . 6.000 4.671 2.991 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 43 ILE HB 1 44 THR H 3.160 . 4.620 2.869 1.918 4.206 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 43 ILE QG 1 44 THR H 3.480 . 5.250 3.542 1.819 4.358 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 43 ILE MG 1 44 THR H 3.850 . 6.000 3.029 1.833 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 44 THR H 1 47 ASP HB2 3.050 . 4.400 3.066 1.892 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 44 THR H 1 44 THR MG 3.210 . 4.710 2.766 1.894 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 44 THR H 1 48 ILE H 3.820 . 5.940 4.707 3.823 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 44 THR H 1 47 ASP HB3 3.670 . 5.640 4.583 3.169 5.534 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 44 THR H 1 47 ASP H 3.700 . 5.700 3.473 2.594 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 45 GLU H 1 49 GLU QG 3.850 . 6.000 5.278 5.056 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 45 GLU H 1 45 GLU HA 2.610 . 3.530 2.875 2.786 2.906 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 45 GLU H 1 46 ASP H 2.740 . 3.780 2.654 2.520 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 45 GLU H 1 45 GLU QB 2.610 . 3.530 2.190 1.927 2.528 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 44 THR HA 1 45 GLU H 2.550 . 3.400 2.627 2.333 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 45 GLU H 1 45 GLU QG 3.330 . 4.960 2.915 1.870 3.932 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 44 THR MG 1 45 GLU H 3.620 . 5.540 3.358 1.824 3.943 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 45 GLU H 1 48 ILE MD 3.850 . 6.000 4.320 3.292 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 46 ASP H 1 46 ASP QB 2.660 . 3.620 2.141 1.924 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 44 THR H 1 46 ASP H 3.270 . 4.830 4.095 3.514 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 44 THR HB 1 46 ASP H 2.580 . 3.460 2.790 2.140 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 45 GLU HA 1 46 ASP H 3.170 . 4.630 3.418 3.313 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 46 ASP H 1 46 ASP HA 2.750 . 3.790 2.895 2.785 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 45 GLU QB 1 46 ASP H 3.120 . 4.540 3.218 2.660 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 45 GLU QG 1 46 ASP H 3.620 . 5.540 3.951 2.071 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 44 THR MG 1 46 ASP H 3.590 . 5.480 3.937 2.810 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 47 ASP H 1 48 ILE QG 3.850 . 6.000 3.788 3.236 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 46 ASP QB 1 47 ASP H 2.980 . 4.260 2.619 2.249 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 47 ASP H 1 49 GLU QB 3.730 . 5.760 4.720 4.244 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 47 ASP H 1 48 ILE H 2.790 . 3.870 2.404 2.270 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 43 ILE MG 1 47 ASP H 3.850 . 6.000 4.295 2.946 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 45 GLU H 1 47 ASP H 3.850 . 6.000 4.615 4.392 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 47 ASP H 1 48 ILE HA 3.850 . 6.000 5.105 4.986 5.340 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 44 THR HB 1 47 ASP H 3.460 . 5.210 4.414 3.148 5.218 0.008 9 0 "[ . 1 . 2 . 3]" 1
333 1 44 THR MG 1 47 ASP H 3.850 . 6.000 4.803 4.462 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 45 GLU QB 1 47 ASP H 3.850 . 6.000 5.072 4.867 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 46 ASP H 1 47 ASP H 2.820 . 3.940 2.595 2.333 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 47 ASP H 1 47 ASP HB3 3.060 . 4.420 3.402 3.158 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 47 ASP H 1 47 ASP HB2 2.730 . 3.750 2.093 1.957 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 47 ASP H 1 48 ILE HB 3.850 . 6.000 4.460 4.191 4.897 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 47 ASP HB2 1 48 ILE H 2.720 . 3.740 3.044 2.598 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 48 ILE H 1 48 ILE HA 2.610 . 3.530 2.936 2.845 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 47 ASP HA 1 48 ILE H 2.880 . 4.050 3.502 3.384 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 48 ILE H 1 48 ILE QG 2.630 . 3.560 2.243 1.875 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 48 ILE H 1 48 ILE MD 3.200 . 4.700 3.483 2.787 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 47 ASP HB3 1 48 ILE H 2.930 . 4.160 3.498 2.764 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 45 GLU HA 1 48 ILE H 3.060 . 4.410 3.314 3.004 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 48 ILE H 1 48 ILE HB 2.460 . 3.210 2.352 2.236 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 46 ASP HA 1 49 GLU H 3.080 . 4.460 3.904 3.427 4.254 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 48 ILE HB 1 49 GLU H 2.680 . 3.660 2.881 2.388 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 49 GLU H 1 49 GLU HA 2.750 . 3.800 2.861 2.799 2.930 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 48 ILE MD 1 49 GLU H 3.850 . 6.000 4.670 4.341 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 48 ILE QG 1 49 GLU H 3.410 . 5.120 4.081 3.829 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 49 GLU H 1 49 GLU QG 3.000 . 4.290 2.699 1.965 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 49 GLU H 1 50 GLU H 2.570 . 3.440 2.738 2.492 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 48 ILE MG 1 49 GLU H 3.420 . 5.130 3.648 3.168 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 48 ILE HA 1 50 GLU H 3.770 . 5.830 4.345 3.683 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 49 GLU HA 1 50 GLU H 2.970 . 4.240 3.557 3.440 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 47 ASP HA 1 50 GLU H 2.940 . 4.180 4.030 3.736 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 50 GLU H 1 51 LEU H 2.520 . 3.330 2.496 2.316 2.941 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 50 GLU H 1 51 LEU QB 3.720 . 5.740 4.101 3.847 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 50 GLU H 1 50 GLU HA 2.610 . 3.520 2.916 2.810 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 51 LEU H 1 51 LEU QB 2.710 . 3.720 2.052 1.920 2.221 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 50 GLU QB 1 51 LEU H 3.410 . 5.120 2.906 2.407 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 51 LEU H 1 51 LEU QD 3.780 . 5.860 3.102 2.011 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 51 LEU H 1 52 MET H 3.040 . 4.370 2.797 2.449 3.149 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 48 ILE HA 1 51 LEU H 3.500 . 5.300 3.300 2.967 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 49 GLU HA 1 51 LEU H 3.850 . 6.000 4.255 3.904 4.830 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 48 ILE HA 1 52 MET H 3.830 . 5.960 4.145 3.536 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 51 LEU QB 1 52 MET H 2.960 . 4.210 2.348 1.901 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 52 MET H 1 52 MET QB 2.710 . 3.710 2.093 1.950 2.179 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 49 GLU HA 1 52 MET H 3.280 . 4.860 4.134 3.515 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 53 LYS H 1 53 LYS QG 3.090 . 4.480 3.576 2.435 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 29 LEU QD 1 53 LYS H 3.850 . 6.000 4.206 3.487 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 52 MET QG 1 53 LYS H 3.850 . 6.000 3.706 2.906 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 49 GLU HA 1 53 LYS H 3.850 . 6.000 4.700 3.674 5.244 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 52 MET H 1 53 LYS H 3.060 . 4.420 2.676 2.450 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 52 MET QB 1 53 LYS H 3.060 . 4.410 2.809 2.341 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 53 LYS H 1 53 LYS QB 2.950 . 4.200 2.090 1.947 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 54 ASP H 1 54 ASP HA 2.620 . 3.540 2.927 2.844 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 53 LYS QB 1 54 ASP H 2.690 . 3.690 2.366 1.859 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 55 GLY H 1 71 PHE QD 3.850 . 6.000 4.016 2.954 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 55 GLY H 1 71 PHE QE 3.850 . 6.000 3.998 3.279 4.946 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 53 LYS H 1 55 GLY H 3.080 . 4.460 3.905 3.569 4.463 0.003 18 0 "[ . 1 . 2 . 3]" 1
383 1 55 GLY H 1 55 GLY QA 2.400 . 3.090 2.271 2.236 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 55 GLY H 1 56 ASP QB 3.370 . 5.040 4.078 3.473 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 54 ASP H 1 55 GLY H 2.470 . 3.240 2.492 2.306 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 54 ASP HA 1 55 GLY H 2.960 . 4.220 3.449 3.046 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 55 GLY H 1 63 ILE MD 3.690 . 5.680 4.408 3.695 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 55 GLY H 1 56 ASP HA 3.560 . 5.420 5.192 4.707 5.427 0.007 15 0 "[ . 1 . 2 . 3]" 1
389 1 56 ASP H 1 56 ASP QB 2.380 . 3.070 1.994 1.921 2.181 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 55 GLY QA 1 56 ASP H 2.610 . 3.520 2.812 2.655 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 56 ASP H 1 56 ASP HA 2.620 . 3.540 2.904 2.811 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 54 ASP HA 1 56 ASP H 3.180 . 4.660 4.060 3.399 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 56 ASP H 1 63 ILE MD 3.420 . 5.140 3.736 2.824 4.167 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 57 LYS H 1 67 GLU QB 3.170 . 4.630 2.208 1.939 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 56 ASP QB 1 57 LYS H 3.150 . 4.590 3.843 3.678 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 57 LYS H 1 57 LYS QB 2.730 . 3.770 2.066 1.925 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 57 LYS H 1 57 LYS HA 2.610 . 3.530 2.878 2.836 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 57 LYS H 1 58 ASN HA 3.540 . 5.380 5.310 5.090 5.389 0.009 9 0 "[ . 1 . 2 . 3]" 1
399 1 56 ASP HA 1 57 LYS H 2.370 . 3.040 2.271 2.215 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 57 LYS H 1 57 LYS QG 3.030 . 4.360 3.579 2.132 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 58 ASN H 1 58 ASN HB3 2.920 . 4.130 3.052 2.765 3.467 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 58 ASN H 1 58 ASN HB2 3.120 . 4.540 3.771 3.648 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 57 LYS QB 1 58 ASN H 2.810 . 3.930 3.077 2.795 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 57 LYS HA 1 58 ASN H 2.730 . 3.760 3.439 3.358 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 58 ASN H 1 59 ASN HA 2.930 . 4.160 4.166 4.116 4.238 0.078 28 0 "[ . 1 . 2 . 3]" 1
406 1 56 ASP HA 1 58 ASN H 2.890 . 4.080 3.356 3.162 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 58 ASN H 1 67 GLU QB 3.150 . 4.600 4.091 3.976 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 58 ASN H 1 60 ASP H 3.120 . 4.540 4.184 3.574 4.549 0.009 28 0 "[ . 1 . 2 . 3]" 1
409 1 57 LYS QG 1 58 ASN H 3.580 . 5.460 4.288 2.342 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 58 ASN HB3 1 59 ASN H 3.850 . 6.000 4.334 4.014 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 58 ASN H 1 59 ASN H 2.770 . 3.850 1.943 1.866 2.056 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 59 ASN H 1 59 ASN HB2 3.100 . 4.500 3.313 3.108 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 59 ASN H 1 59 ASN HB3 3.240 . 4.780 4.002 3.904 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 60 ASP H 1 63 ILE QG 3.850 . 6.000 5.134 4.814 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 59 ASN HB2 1 60 ASP H 3.850 . 6.000 4.477 4.316 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 60 ASP H 1 61 GLY H 2.580 . 3.470 1.949 1.852 2.315 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 60 ASP H 1 61 GLY QA 3.410 . 5.120 4.041 3.935 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 60 ASP H 1 60 ASP QB 3.460 . 5.210 2.745 2.407 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 60 ASP QB 1 61 GLY H 3.180 . 4.660 3.685 2.998 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 60 ASP HA 1 61 GLY H 2.970 . 4.240 3.387 3.257 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 61 GLY H 1 61 GLY QA 2.350 . 3.000 2.353 2.266 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 59 ASN HA 1 61 GLY H 2.700 . 3.700 3.426 3.160 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 61 GLY QA 1 62 ARG H 2.980 . 4.250 2.730 2.329 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 62 ARG H 1 62 ARG HB2 3.160 . 4.620 2.526 1.949 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 62 ARG H 1 63 ILE H 3.730 . 5.760 4.541 4.443 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 62 ARG H 1 63 ILE HA 3.850 . 6.000 5.053 4.756 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 62 ARG H 1 62 ARG HB3 3.290 . 4.870 3.522 2.887 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 62 ARG QG 1 63 ILE H 3.330 . 4.960 3.789 2.622 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 63 ILE H 1 63 ILE HB 2.330 . 2.970 2.428 2.180 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 62 ARG HA 1 63 ILE H 2.250 . 2.790 2.465 2.277 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 26 TYR QD 1 63 ILE H 3.790 . 5.870 4.170 3.842 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 63 ILE H 1 63 ILE MG 3.310 . 4.910 3.636 3.492 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 62 ARG HB3 1 63 ILE H 2.710 . 3.730 2.727 2.240 3.736 0.006 4 0 "[ . 1 . 2 . 3]" 1
434 1 63 ILE H 1 63 ILE QG 2.760 . 3.820 3.275 3.041 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 63 ILE H 1 63 ILE HA 2.620 . 3.540 2.994 2.974 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 27 ILE HB 1 63 ILE H 2.840 . 3.980 3.490 3.016 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 64 ASP H 1 66 ASP HB2 3.850 . 6.000 4.818 4.127 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 64 ASP H 1 67 GLU QG 3.850 . 6.000 2.978 2.159 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 63 ILE QG 1 64 ASP H 3.850 . 6.000 3.786 3.554 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 26 TYR QD 1 64 ASP H 3.850 . 6.000 3.776 3.328 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 63 ILE MD 1 64 ASP H 3.850 . 6.000 4.786 4.293 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 64 ASP H 1 64 ASP HB3 3.450 . 5.200 3.004 2.606 3.337 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 64 ASP H 1 67 GLU QB 3.330 . 4.960 2.339 2.015 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 63 ILE MG 1 64 ASP H 3.850 . 6.000 2.584 2.107 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 64 ASP H 1 67 GLU HA 3.850 . 6.000 5.095 4.725 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 64 ASP H 1 64 ASP HB2 3.450 . 5.200 3.615 3.565 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 64 ASP H 1 67 GLU H 3.830 . 5.960 3.219 2.712 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 63 ILE HB 1 64 ASP H 3.850 . 6.000 4.361 4.075 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 64 ASP H 1 65 TYR H 3.670 . 5.640 4.410 4.351 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 26 TYR QE 1 64 ASP H 3.850 . 6.000 4.950 4.542 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 65 TYR H 1 66 ASP H 2.710 . 3.710 2.685 2.608 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 64 ASP HB3 1 65 TYR H 2.730 . 3.750 3.496 3.336 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 65 TYR H 1 65 TYR HB2 2.460 . 3.220 2.300 1.940 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 65 TYR H 1 65 TYR HB3 2.480 . 3.260 2.614 2.317 3.183 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 65 TYR H 1 65 TYR QD 3.590 . 5.480 3.970 3.212 4.133 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 26 TYR QE 1 65 TYR H 3.850 . 6.000 4.922 3.939 5.345 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 16 PHE QE 1 65 TYR H 3.650 . 5.600 3.835 2.178 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 65 TYR H 1 65 TYR HA 2.620 . 3.540 2.869 2.836 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 64 ASP HA 1 65 TYR H 2.530 . 3.360 2.744 2.634 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 64 ASP HB2 1 65 TYR H 2.500 . 3.290 2.014 1.871 2.245 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 26 TYR QD 1 65 TYR H 3.850 . 6.000 5.040 4.023 5.373 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 16 PHE HZ 1 65 TYR H 3.030 . 4.360 4.137 3.805 4.380 0.020 6 0 "[ . 1 . 2 . 3]" 1
463 1 65 TYR H 1 67 GLU H 3.490 . 5.280 4.808 4.525 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 64 ASP HA 1 66 ASP H 3.670 . 5.630 4.371 4.104 4.890 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 66 ASP H 1 67 GLU QG 3.850 . 6.000 4.035 3.506 5.387 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 66 ASP H 1 69 LEU QD 3.850 . 6.000 4.427 4.188 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 66 ASP H 1 67 GLU H 2.500 . 3.290 2.670 2.196 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 66 ASP H 1 66 ASP HA 2.610 . 3.530 2.935 2.863 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 66 ASP H 1 67 GLU QB 3.750 . 5.790 4.523 4.125 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 65 TYR QD 1 66 ASP H 3.650 . 5.600 4.402 3.510 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 16 PHE QE 1 66 ASP H 3.850 . 6.000 5.196 4.564 5.367 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 66 ASP H 1 66 ASP HB2 2.500 . 3.300 2.228 1.949 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 66 ASP HA 1 67 GLU H 2.870 . 4.040 3.588 3.574 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 66 ASP HB2 1 67 GLU H 2.670 . 3.630 2.441 1.866 2.946 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 67 GLU H 1 67 GLU HA 2.610 . 3.530 2.850 2.784 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 67 GLU H 1 69 LEU H 3.700 . 5.700 4.313 3.910 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 67 GLU H 1 67 GLU QB 2.470 . 3.240 2.463 1.963 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 67 GLU H 1 67 GLU QG 3.060 . 4.420 1.948 1.809 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 63 ILE MG 1 67 GLU H 3.640 . 5.580 3.973 3.463 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 63 ILE HA 1 67 GLU H 3.500 . 5.290 4.871 4.492 5.310 0.020 18 0 "[ . 1 . 2 . 3]" 1
481 1 67 GLU QG 1 68 PHE H 3.500 . 5.300 3.843 2.830 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 66 ASP H 1 68 PHE H 3.290 . 4.880 3.649 3.194 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 16 PHE QE 1 68 PHE H 3.850 . 6.000 4.317 3.717 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 63 ILE MG 1 68 PHE H 2.930 . 4.160 2.559 2.165 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 67 GLU QB 1 68 PHE H 2.840 . 3.980 2.678 2.296 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 68 PHE H 1 69 LEU H 2.620 . 3.540 2.627 2.479 2.842 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 67 GLU H 1 68 PHE H 2.580 . 3.470 2.699 2.499 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 68 PHE H 1 68 PHE HA 2.850 . 4.000 2.885 2.825 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 68 PHE H 1 68 PHE QD 3.230 . 4.750 4.072 3.842 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 68 PHE HB2 1 69 LEU H 3.020 . 4.340 3.946 3.727 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 66 ASP HA 1 69 LEU H 3.070 . 4.440 3.670 3.418 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 69 LEU H 1 69 LEU HA 2.790 . 3.890 2.817 2.748 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 69 LEU H 1 69 LEU HB2 2.580 . 3.460 1.978 1.949 2.037 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 69 LEU H 1 70 GLU H 2.790 . 3.890 2.891 2.552 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 68 PHE HB3 1 69 LEU H 2.810 . 3.920 2.631 2.310 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 66 ASP HB3 1 69 LEU H 3.640 . 5.580 5.462 5.243 5.596 0.016 17 0 "[ . 1 . 2 . 3]" 1
497 1 68 PHE HA 1 69 LEU H 3.200 . 4.700 3.554 3.462 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 68 PHE QD 1 69 LEU H 3.430 . 5.160 3.074 2.217 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 70 GLU H 1 71 PHE H 2.560 . 3.430 2.515 2.283 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 69 LEU HB2 1 70 GLU H 2.770 . 3.830 2.898 2.642 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 70 GLU H 1 70 GLU HA 2.810 . 3.930 2.906 2.814 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 69 LEU HA 1 70 GLU H 3.330 . 4.960 3.576 3.525 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 70 GLU H 1 70 GLU QG 3.230 . 4.760 3.680 1.916 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 67 GLU HA 1 70 GLU H 3.120 . 4.540 3.805 3.423 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 70 GLU H 1 70 GLU QB 2.910 . 4.120 2.080 1.930 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 69 LEU HB3 1 70 GLU H 3.000 . 4.300 2.792 2.197 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 69 LEU QD 1 70 GLU H 3.850 . 6.000 3.809 3.599 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 68 PHE H 1 70 GLU H 3.850 . 6.000 4.434 4.150 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 70 GLU H 1 71 PHE QB 3.520 . 5.330 4.147 3.956 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 70 GLU H 1 71 PHE HA 3.750 . 5.800 5.151 4.908 5.457 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 70 GLU QG 1 71 PHE H 3.540 . 5.380 4.202 2.104 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 71 PHE H 1 74 GLY H 3.600 . 5.500 5.265 5.055 5.513 0.013 30 0 "[ . 1 . 2 . 3]" 1
513 1 71 PHE H 1 73 LYS H 3.460 . 5.210 3.872 3.606 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 69 LEU HA 1 71 PHE H 3.370 . 5.040 4.415 4.074 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 71 PHE H 1 71 PHE HA 2.690 . 3.690 2.825 2.757 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 70 GLU QB 1 71 PHE H 2.830 . 3.970 2.793 2.456 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 71 PHE H 1 71 PHE QB 2.500 . 3.290 2.133 2.058 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 71 PHE H 1 71 PHE QD 3.400 . 5.100 4.097 4.041 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 70 GLU QB 1 72 MET H 3.850 . 6.000 5.164 4.459 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 71 PHE HA 1 72 MET H 3.120 . 4.540 3.584 3.550 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 72 MET H 1 72 MET QB 2.540 . 3.370 2.157 1.920 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 68 PHE HA 1 72 MET H 2.920 . 4.140 4.080 3.815 4.184 0.044 9 0 "[ . 1 . 2 . 3]" 1
523 1 71 PHE QB 1 72 MET H 2.790 . 3.890 2.131 1.864 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 72 MET H 1 72 MET HA 2.690 . 3.670 2.883 2.801 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 71 PHE H 1 72 MET H 2.600 . 3.500 2.988 2.670 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 72 MET H 1 73 LYS H 2.580 . 3.460 2.606 2.298 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 69 LEU HA 1 72 MET H 3.020 . 4.330 4.275 4.106 4.355 0.025 9 0 "[ . 1 . 2 . 3]" 1
528 1 71 PHE QD 1 72 MET H 3.560 . 5.410 3.238 2.423 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 72 MET H 1 75 VAL MG1 3.850 . 6.000 4.995 4.850 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 70 GLU QB 1 73 LYS H 3.850 . 6.000 4.806 4.561 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 73 LYS H 1 74 GLY H 2.810 . 3.910 2.923 2.304 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 73 LYS H 1 73 LYS QB 2.740 . 3.780 2.051 1.918 2.313 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 73 LYS H 1 73 LYS HA 2.610 . 3.530 2.850 2.805 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 71 PHE HA 1 73 LYS H 3.470 . 5.240 4.285 3.815 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 72 MET HA 1 73 LYS H 3.100 . 4.500 3.492 3.326 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 69 LEU HA 1 73 LYS H 3.610 . 5.520 4.697 4.270 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 72 MET QB 1 73 LYS H 3.190 . 4.680 2.856 2.233 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 71 PHE QB 1 73 LYS H 3.850 . 6.000 4.241 3.978 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 73 LYS H 1 73 LYS QG 3.380 . 5.050 3.449 2.055 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 72 MET H 1 74 GLY H 3.850 . 6.000 4.807 3.993 5.538 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 74 GLY H 1 74 GLY QA 2.630 . 3.570 2.365 2.259 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 71 PHE HA 1 74 GLY H 3.850 . 6.000 4.329 3.483 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 72 MET HA 1 74 GLY H 3.850 . 6.000 4.660 3.447 5.913 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 73 LYS QB 1 74 GLY H 3.500 . 5.300 2.314 1.834 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 73 LYS QG 1 74 GLY H 3.850 . 6.000 4.006 3.464 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 74 GLY H 1 75 VAL MG2 3.850 . 6.000 3.548 2.529 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 70 GLU QG 1 74 GLY H 3.850 . 6.000 4.399 3.231 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 75 VAL H 1 75 VAL HA 2.750 . 3.800 2.977 2.844 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 74 GLY QA 1 75 VAL H 2.820 . 3.940 2.570 2.165 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 75 VAL H 1 75 VAL HB 2.630 . 3.570 2.675 2.105 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 75 VAL H 1 76 GLU H 3.130 . 4.560 3.138 1.874 4.592 0.032 22 0 "[ . 1 . 2 . 3]" 1
552 1 75 VAL QG 1 76 GLU H 3.470 . 5.240 2.964 1.804 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 76 GLU H 1 76 GLU QB 3.250 . 4.800 2.526 2.113 3.178 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 76 GLU H 1 76 GLU QG 3.810 . 5.920 3.316 1.899 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 23 ALA HA 1 23 ALA MB 2.420 . 3.140 2.131 2.113 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 38 ALA HA 1 38 ALA MB 2.420 . 3.130 2.141 2.119 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 34 ILE MG 1 38 ALA MB 3.850 . 6.000 3.448 2.436 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 35 MET HA 1 38 ALA MB 2.900 . 4.100 2.784 2.094 3.236 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 37 GLN QB 1 38 ALA MB 3.850 . 6.000 3.942 3.783 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 20 ASP HA 1 27 ILE MD 3.310 . 4.910 1.773 1.707 1.817 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 20 ASP H 1 20 ASP QB 2.620 . 3.540 2.140 2.060 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 20 ASP QB 1 27 ILE MD 3.560 . 5.420 2.331 1.838 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 17 ARG HA 1 20 ASP QB 2.990 . 4.280 2.729 2.275 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 24 ASP HA 1 24 ASP QB 2.650 . 3.590 2.201 2.194 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 28 ASP HA 1 28 ASP HB3 2.650 . 3.600 2.463 2.344 2.578 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 28 ASP H 1 28 ASP HB3 3.090 . 4.480 2.841 2.495 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 28 ASP HA 1 28 ASP HB2 2.650 . 3.590 2.495 2.380 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 47 ASP HA 1 47 ASP HB3 2.650 . 3.590 2.693 2.434 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 47 ASP HA 1 47 ASP HB2 2.850 . 4.000 2.973 2.860 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 47 ASP H 1 47 ASP HA 2.710 . 3.730 2.942 2.867 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 47 ASP HA 1 50 GLU QB 3.290 . 4.880 3.741 2.895 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 43 ILE MG 1 47 ASP HB3 3.730 . 5.750 3.092 1.872 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 43 ILE MG 1 47 ASP HB2 3.350 . 5.000 2.897 1.817 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 56 ASP HA 1 63 ILE MD 3.500 . 5.290 3.500 2.881 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 56 ASP QB 1 63 ILE MD 3.830 . 5.960 4.089 3.554 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 53 LYS HA 1 56 ASP QB 3.080 . 4.460 3.454 2.681 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 60 ASP HA 1 60 ASP QB 2.650 . 3.590 2.220 2.198 2.389 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 64 ASP HA 1 64 ASP HB3 2.690 . 3.680 2.408 2.340 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 64 ASP HA 1 64 ASP HB2 2.650 . 3.590 2.552 2.408 2.642 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 64 ASP H 1 64 ASP HA 2.880 . 4.050 2.991 2.962 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 16 PHE HZ 1 64 ASP HA 3.020 . 4.330 2.318 1.923 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 27 ILE H 1 64 ASP HA 3.160 . 4.620 4.162 3.983 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 64 ASP HA 1 65 TYR HA 3.310 . 4.920 4.409 4.397 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 64 ASP HB2 1 66 ASP H 3.170 . 4.630 3.030 2.733 3.722 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 66 ASP HA 1 66 ASP HB3 2.650 . 3.600 2.639 2.367 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 66 ASP HA 1 66 ASP HB2 2.830 . 3.960 2.967 2.854 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 66 ASP HA 1 69 LEU HB3 3.260 . 4.820 4.314 3.823 4.822 0.002 24 0 "[ . 1 . 2 . 3]" 1
588 1 66 ASP HA 1 69 LEU QD 3.500 . 5.300 3.240 2.523 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 66 ASP HB3 1 67 GLU H 2.670 . 3.650 2.894 2.107 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 14 ASP HA 1 14 ASP HB2 2.650 . 3.590 2.973 2.871 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 14 ASP HA 1 18 MET H 2.970 . 4.240 4.233 3.869 4.268 0.028 7 0 "[ . 1 . 2 . 3]" 1
592 1 14 ASP HA 1 17 ARG QD 3.790 . 5.880 4.269 2.232 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 11 GLU HA 1 14 ASP HB2 2.810 . 3.910 2.975 2.176 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 27 ILE MG 1 31 GLU QB 2.830 . 3.960 1.641 1.570 1.787 0.130 29 0 "[ . 1 . 2 . 3]" 1
595 1 31 GLU H 1 31 GLU QG 3.540 . 5.370 2.354 1.892 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 41 GLU HA 1 41 GLU HB3 2.650 . 3.600 2.636 2.394 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 41 GLU HA 1 41 GLU QG 3.380 . 5.060 2.274 1.904 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 41 GLU H 1 41 GLU HA 2.810 . 3.920 2.835 2.365 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 41 GLU HA 1 42 THR H 2.530 . 3.360 2.722 2.212 3.473 0.113 21 0 "[ . 1 . 2 . 3]" 1
600 1 41 GLU HA 1 41 GLU HB2 2.750 . 3.790 2.975 2.850 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 41 GLU H 1 41 GLU HB2 2.690 . 3.670 2.516 1.942 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 41 GLU HB2 1 42 THR H 3.180 . 4.660 3.916 1.984 4.681 0.021 13 0 "[ . 1 . 2 . 3]" 1
603 1 45 GLU HA 1 48 ILE MD 3.020 . 4.330 2.952 2.228 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 45 GLU HA 1 48 ILE QG 3.460 . 5.210 3.788 3.251 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 45 GLU HA 1 48 ILE MG 3.330 . 4.960 3.752 3.352 4.108 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 49 GLU HA 1 49 GLU QG 3.250 . 4.790 2.200 1.929 2.485 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 67 GLU HA 1 68 PHE H 3.650 . 5.600 3.531 3.484 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 63 ILE HA 1 67 GLU QB 2.790 . 3.890 2.759 2.401 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 63 ILE MG 1 67 GLU QB 2.850 . 4.000 2.335 1.832 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 67 GLU HA 1 67 GLU QG 3.560 . 5.420 2.419 2.266 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 70 GLU HA 1 73 LYS H 3.640 . 5.580 3.334 3.006 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 57 LYS QE 1 70 GLU QG 3.850 . 6.000 3.723 2.214 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 76 GLU H 1 76 GLU HA 2.750 . 3.790 2.969 2.921 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 76 GLU HA 1 76 GLU QG 3.660 . 5.620 2.449 1.936 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 9 GLU HA 1 69 LEU QD 3.850 . 6.000 3.205 2.333 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 9 GLU HA 1 12 LEU QD 3.540 . 5.380 2.268 1.728 2.886 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 9 GLU QB 1 69 LEU QD 3.850 . 6.000 3.375 2.064 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 11 GLU HA 1 11 GLU HB3 2.650 . 3.600 2.707 2.466 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 11 GLU HA 1 11 GLU HB2 2.650 . 3.610 2.960 2.860 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 11 GLU HA 1 11 GLU QG 3.180 . 4.660 2.318 1.966 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 16 PHE HA 1 20 ASP H 3.730 . 5.760 4.598 4.004 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 16 PHE HA 1 16 PHE QB 2.670 . 3.630 2.364 2.292 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 16 PHE HA 1 19 PHE HB2 3.480 . 5.250 3.241 2.746 3.665 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 16 PHE HA 1 27 ILE MD 3.120 . 4.540 3.180 2.861 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 13 SER HA 1 16 PHE QB 3.450 . 5.200 2.942 2.323 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 19 PHE HA 1 19 PHE HB2 2.660 . 3.620 2.974 2.943 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 19 PHE HB2 1 20 ASP H 3.040 . 4.380 3.509 3.161 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 19 PHE HB2 1 27 ILE MD 3.090 . 4.480 3.553 3.214 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 19 PHE HB3 1 27 ILE MD 3.200 . 4.700 3.285 3.050 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 19 PHE HB3 1 27 ILE MG 3.370 . 5.040 4.155 4.017 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 68 PHE HA 1 71 PHE QB 2.830 . 3.970 2.167 1.897 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 68 PHE HA 1 71 PHE H 3.330 . 4.960 3.237 2.988 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 63 ILE MD 1 68 PHE HA 3.850 . 6.000 3.120 2.760 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 63 ILE MG 1 68 PHE HA 2.880 . 4.050 2.474 2.212 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 68 PHE H 1 68 PHE HB2 2.580 . 3.460 2.596 2.371 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 63 ILE MG 1 68 PHE HB2 3.080 . 4.460 1.929 1.805 2.175 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 68 PHE HA 1 68 PHE HB3 2.670 . 3.640 3.030 3.007 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 68 PHE H 1 68 PHE HB3 2.570 . 3.440 2.302 2.094 2.500 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 63 ILE MG 1 68 PHE HB3 2.960 . 4.210 3.173 2.846 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 55 GLY QA 1 63 ILE MD 2.860 . 4.020 2.839 2.236 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 27 ILE HA 1 27 ILE MD 3.330 . 4.960 3.387 3.294 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 27 ILE HA 1 27 ILE QG 2.840 . 3.980 2.326 2.276 2.442 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 27 ILE HB 1 27 ILE MD 2.960 . 4.220 2.745 2.712 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 27 ILE HB 1 63 ILE MG 3.000 . 4.300 3.362 3.138 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 27 ILE MD 1 27 ILE MG 2.800 . 3.900 1.737 1.703 1.747 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 27 ILE MD 1 63 ILE MG 3.850 . 6.000 4.168 4.148 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 27 ILE HA 1 27 ILE MG 2.650 . 3.610 2.279 2.239 2.340 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 27 ILE HB 1 27 ILE MG 2.420 . 3.140 2.158 2.152 2.161 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 27 ILE H 1 27 ILE MG 3.380 . 5.050 3.886 3.839 3.914 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 27 ILE MG 1 63 ILE H 3.850 . 6.000 4.557 4.272 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 27 ILE MG 1 32 LEU HA 2.780 . 3.860 3.182 2.957 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 27 ILE MG 1 32 LEU HB2 2.700 . 3.700 3.023 2.821 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 27 ILE MG 1 32 LEU H 2.710 . 3.730 2.672 2.452 2.801 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 34 ILE HA 1 34 ILE HB 2.670 . 3.650 3.019 3.009 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 34 ILE HA 1 34 ILE MD 3.080 . 4.460 3.751 3.717 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 34 ILE HA 1 34 ILE QG 2.540 . 3.370 2.279 2.238 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 34 ILE HA 1 34 ILE MG 2.610 . 3.520 2.505 2.381 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 34 ILE H 1 34 ILE HA 2.560 . 3.430 2.911 2.854 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 34 ILE HA 1 37 GLN QB 3.230 . 4.760 2.484 1.896 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 34 ILE HA 1 37 GLN HE21 3.310 . 4.920 3.045 1.906 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 34 ILE HA 1 37 GLN HE22 3.370 . 5.040 3.388 2.347 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 34 ILE HA 1 37 GLN QG 3.120 . 4.540 3.753 1.974 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 34 ILE HA 1 37 GLN H 2.810 . 3.930 3.332 3.058 3.941 0.011 3 0 "[ . 1 . 2 . 3]" 1
664 1 31 GLU HA 1 34 ILE HB 2.730 . 3.760 3.126 2.717 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 34 ILE HB 1 34 ILE MD 2.790 . 3.890 2.262 2.026 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 34 ILE H 1 34 ILE HB 2.400 . 3.110 2.191 2.109 2.376 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 34 ILE HB 1 35 MET H 2.650 . 3.600 2.770 2.414 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 31 GLU HA 1 34 ILE MD 2.890 . 4.080 2.635 2.113 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 34 ILE MD 1 34 ILE MG 2.490 . 3.280 2.003 1.587 2.291 0.113 21 0 "[ . 1 . 2 . 3]" 1
670 1 21 LYS QE 1 34 ILE MD 3.850 . 6.000 2.687 1.716 4.159 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 34 ILE QG 1 34 ILE MG 2.900 . 4.100 2.234 2.083 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 31 GLU HA 1 34 ILE MG 3.570 . 5.440 4.360 3.965 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 21 LYS QE 1 34 ILE MG 3.520 . 5.330 3.004 1.748 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 34 ILE MG 1 36 LEU H 3.850 . 6.000 4.879 4.639 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 34 ILE MG 1 35 MET HA 3.250 . 4.790 3.375 3.182 3.768 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 43 ILE HA 1 43 ILE QG 3.150 . 4.590 2.925 2.157 3.403 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 43 ILE HA 1 44 THR H 2.600 . 3.500 2.595 2.227 3.505 0.005 16 0 "[ . 1 . 2 . 3]" 1
678 1 43 ILE HB 1 47 ASP HB2 3.250 . 4.800 3.042 1.903 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 43 ILE HA 1 43 ILE HB 2.650 . 3.600 2.695 2.412 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 43 ILE HB 1 43 ILE MD 2.880 . 4.060 2.303 1.914 3.200 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 43 ILE MD 1 47 ASP HB3 3.000 . 4.290 2.720 1.740 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 43 ILE MD 1 47 ASP HB2 3.170 . 4.630 3.011 1.835 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 43 ILE HA 1 43 ILE MD 2.810 . 3.930 3.551 1.840 4.097 0.167 30 0 "[ . 1 . 2 . 3]" 1
684 1 43 ILE H 1 43 ILE MD 3.240 . 4.780 3.608 2.052 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 43 ILE MD 1 44 THR H 3.660 . 5.620 3.768 2.080 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 43 ILE QG 1 47 ASP HB2 3.270 . 4.840 3.669 1.835 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 43 ILE QG 1 47 ASP HB3 3.350 . 5.000 3.854 2.159 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 48 ILE HA 1 49 GLU H 3.410 . 5.120 3.490 3.341 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 48 ILE HA 1 48 ILE QG 2.940 . 4.180 2.382 2.288 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 48 ILE HA 1 51 LEU QB 3.040 . 4.370 2.332 1.893 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 45 GLU HA 1 48 ILE HB 2.730 . 3.750 2.411 1.916 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 48 ILE HA 1 48 ILE HB 2.790 . 3.870 3.034 3.022 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 48 ILE HB 1 48 ILE QG 2.660 . 3.620 2.394 2.348 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 33 LYS HA 1 48 ILE MD 2.720 . 3.740 2.250 1.835 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 36 LEU H 1 48 ILE MD 3.850 . 6.000 4.740 3.924 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 48 ILE HA 1 48 ILE MG 2.520 . 3.350 2.367 2.217 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 33 LYS HA 1 48 ILE MG 2.850 . 4.000 2.412 1.870 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 48 ILE MG 1 52 MET H 3.300 . 4.900 3.684 3.201 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 63 ILE HA 1 63 ILE HB 2.790 . 3.890 3.005 2.978 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 63 ILE HA 1 63 ILE QG 2.610 . 3.520 2.178 2.116 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 63 ILE HA 1 63 ILE MG 2.580 . 3.470 2.602 2.460 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 27 ILE HB 1 63 ILE HB 2.390 . 3.080 2.673 2.436 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 63 ILE HB 1 63 ILE MD 2.980 . 4.250 2.424 2.305 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 62 ARG HA 1 63 ILE HB 3.250 . 4.800 4.149 4.074 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 63 ILE MD 1 71 PHE QB 3.850 . 6.000 2.991 2.576 3.243 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 63 ILE MD 1 71 PHE H 3.850 . 6.000 4.921 4.450 5.016 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 27 ILE HB 1 63 ILE MD 3.340 . 4.980 3.970 3.689 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 63 ILE HA 1 63 ILE MD 3.120 . 4.540 3.683 3.621 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 63 ILE MD 1 63 ILE MG 2.850 . 4.000 1.710 1.552 1.866 0.138 6 0 "[ . 1 . 2 . 3]" 1
710 1 63 ILE QG 1 63 ILE MG 2.870 . 4.040 2.392 2.328 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 63 ILE MG 1 69 LEU H 3.850 . 6.000 4.514 4.295 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 21 LYS QB 1 21 LYS QE 3.850 . 6.000 2.482 1.847 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 21 LYS HA 1 21 LYS QD 3.370 . 5.040 2.719 1.860 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 21 LYS HA 1 21 LYS QG 3.490 . 5.280 2.626 2.020 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 33 LYS HA 1 34 ILE H 3.510 . 5.320 3.536 3.448 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 33 LYS HA 1 48 ILE QG 3.850 . 6.000 3.670 2.677 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 33 LYS HA 1 33 LYS QG 3.270 . 4.840 2.524 1.928 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 33 LYS H 1 33 LYS HA 2.880 . 4.060 2.839 2.775 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 33 LYS HA 1 36 LEU HB3 3.390 . 5.080 5.051 4.874 5.117 0.037 18 0 "[ . 1 . 2 . 3]" 1
720 1 33 LYS HA 1 36 LEU HB2 3.120 . 4.540 3.621 3.329 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 33 LYS HA 1 36 LEU H 3.330 . 4.960 3.812 3.608 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 33 LYS H 1 33 LYS QG 3.380 . 5.060 2.779 1.857 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 53 LYS QB 1 53 LYS QG 2.310 . 2.930 2.072 2.016 2.109 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 53 LYS QE 1 53 LYS QG 3.170 . 4.640 2.130 1.903 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 57 LYS HA 1 57 LYS QE 3.850 . 6.000 4.129 2.490 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 57 LYS HA 1 57 LYS QG 3.250 . 4.800 2.246 1.932 3.295 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 57 LYS QE 1 70 GLU QB 3.850 . 6.000 3.664 2.134 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 57 LYS QB 1 57 LYS QE 3.850 . 6.000 3.212 1.883 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 73 LYS HA 1 73 LYS QG 2.950 . 4.200 2.172 1.909 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 73 LYS H 1 73 LYS QD 3.850 . 6.000 3.987 2.978 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 1 LYS HA 1 1 LYS QG 3.580 . 5.460 2.381 1.948 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 1 LYS HA 1 1 LYS QD 3.790 . 5.880 3.241 1.869 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 7 LYS HA 1 7 LYS QB 2.660 . 3.620 2.441 2.202 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 7 LYS H 1 7 LYS QB 2.710 . 3.720 2.694 2.003 3.213 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 15 LEU HA 1 15 LEU MD1 3.140 . 4.580 3.423 2.072 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 15 LEU QB 1 15 LEU MD1 3.060 . 4.420 2.072 1.904 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 12 LEU HA 1 15 LEU QB 2.810 . 3.920 2.696 1.903 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 15 LEU MD1 1 16 PHE H 3.850 . 6.000 4.607 4.154 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 7 LYS QE 1 15 LEU MD1 3.850 . 6.000 3.245 1.718 4.190 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 15 LEU H 1 15 LEU MD1 3.850 . 6.000 3.704 3.252 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 12 LEU HA 1 15 LEU MD1 3.450 . 5.200 3.064 2.138 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 15 LEU HA 1 15 LEU HG 3.440 . 5.180 2.731 1.952 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 15 LEU QB 1 15 LEU HG 2.640 . 3.580 2.378 2.197 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 15 LEU H 1 15 LEU HG 3.300 . 4.900 3.077 2.167 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 12 LEU HA 1 15 LEU HG 3.830 . 5.960 4.074 2.779 5.962 0.002 29 0 "[ . 1 . 2 . 3]" 1
746 1 29 LEU HA 1 32 LEU H 3.440 . 5.180 3.438 3.254 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 29 LEU MD2 1 31 GLU H 3.850 . 6.000 4.896 4.309 5.041 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 29 LEU MD2 1 49 GLU HA 3.850 . 6.000 3.463 2.426 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 29 LEU MD2 1 49 GLU QG 3.850 . 6.000 3.866 2.639 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 29 LEU MD2 1 33 LYS QE 3.850 . 6.000 3.120 1.764 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 29 LEU HA 1 29 LEU MD2 3.850 . 6.000 2.288 1.816 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 29 LEU H 1 29 LEU MD2 3.850 . 6.000 3.635 1.811 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 29 LEU MD2 1 52 MET ME 3.850 . 6.000 3.270 1.808 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 29 LEU MD2 1 52 MET QG 3.850 . 6.000 3.077 1.686 4.428 0.014 8 0 "[ . 1 . 2 . 3]" 1
755 1 29 LEU MD1 1 49 GLU H 3.850 . 6.000 4.547 3.732 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 29 LEU MD1 1 33 LYS QE 3.850 . 6.000 3.601 1.933 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 29 LEU HA 1 29 LEU MD1 3.120 . 4.540 3.181 1.847 3.739 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 29 LEU H 1 29 LEU MD1 3.850 . 6.000 4.015 3.705 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 29 LEU MD1 1 52 MET ME 3.850 . 6.000 3.832 2.633 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 29 LEU MD1 1 52 MET QG 3.730 . 5.760 2.808 1.760 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 29 LEU MD1 1 52 MET H 3.850 . 6.000 4.140 3.595 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 29 LEU HG 1 30 GLU H 3.850 . 6.000 4.928 4.590 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 29 LEU HA 1 29 LEU HG 3.350 . 5.000 2.710 2.105 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 29 LEU H 1 29 LEU HG 3.400 . 5.100 3.952 3.494 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 32 LEU HA 1 33 LYS H 3.690 . 5.670 3.547 3.488 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 32 LEU HA 1 36 LEU H 3.850 . 6.000 4.462 3.832 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 32 LEU HB2 1 33 LYS H 3.540 . 5.380 3.688 3.333 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 32 LEU H 1 32 LEU HB2 3.120 . 4.540 2.204 1.970 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 32 LEU HB3 1 33 LYS H 3.260 . 4.820 2.682 2.245 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 32 LEU MD2 1 71 PHE HZ 3.850 . 6.000 2.391 1.831 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 32 LEU MD2 1 33 LYS H 3.850 . 6.000 3.996 2.728 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 32 LEU H 1 32 LEU MD2 3.850 . 6.000 4.194 3.614 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 32 LEU MD2 1 52 MET H 3.850 . 6.000 3.693 3.002 5.002 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 32 LEU MD1 1 71 PHE HZ 3.850 . 6.000 3.123 1.728 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 32 LEU HA 1 32 LEU MD1 3.100 . 4.500 2.741 1.834 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 32 LEU H 1 32 LEU MD1 3.850 . 6.000 3.730 3.178 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 32 LEU H 1 32 LEU HG 3.850 . 6.000 4.289 4.002 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 36 LEU HA 1 36 LEU HB3 2.650 . 3.590 2.421 2.351 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 36 LEU HA 1 36 LEU MD2 2.880 . 4.060 1.992 1.828 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 36 LEU HA 1 37 GLN H 3.060 . 4.420 3.549 3.510 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 36 LEU HA 1 39 THR MG 3.620 . 5.540 3.049 1.773 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 36 LEU H 1 36 LEU HB3 2.760 . 3.820 3.532 3.519 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 36 LEU HB3 1 37 GLN H 3.400 . 5.100 3.787 3.162 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 36 LEU H 1 36 LEU HB2 2.610 . 3.520 2.536 2.369 2.731 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 36 LEU HB3 1 36 LEU MD2 3.400 . 5.100 2.398 2.121 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 36 LEU H 1 36 LEU MD2 3.850 . 6.000 2.771 2.214 3.472 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 36 LEU MD2 1 37 GLN H 3.850 . 6.000 4.367 4.090 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 36 LEU MD1 1 71 PHE HZ 3.850 . 6.000 4.175 2.369 4.996 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 36 LEU MD1 1 48 ILE HA 3.850 . 6.000 3.408 2.869 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 33 LYS HA 1 36 LEU MD1 3.850 . 6.000 2.900 2.068 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 36 LEU HA 1 36 LEU MD1 3.850 . 6.000 3.773 3.701 3.903 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 36 LEU HB3 1 36 LEU MD1 3.480 . 5.260 2.302 2.104 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 36 LEU H 1 36 LEU MD1 3.850 . 6.000 3.445 2.918 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 36 LEU HA 1 36 LEU HG 3.690 . 5.680 3.250 2.818 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 36 LEU H 1 36 LEU HG 3.170 . 4.630 1.859 1.830 2.049 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 51 LEU HA 1 51 LEU QB 2.650 . 3.600 2.458 2.197 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 51 LEU MD1 1 71 PHE HZ 3.850 . 6.000 2.596 1.852 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 48 ILE HA 1 51 LEU MD1 3.680 . 5.660 4.272 3.306 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 51 LEU H 1 51 LEU MD1 3.850 . 6.000 3.971 3.171 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 51 LEU MD2 1 71 PHE HZ 3.850 . 6.000 3.503 1.871 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 51 LEU H 1 51 LEU MD2 3.850 . 6.000 3.435 2.016 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 51 LEU HA 1 51 LEU HG 3.660 . 5.620 3.147 2.293 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 51 LEU H 1 51 LEU HG 3.120 . 4.540 4.036 2.389 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 51 LEU HG 1 52 MET H 3.850 . 6.000 4.126 1.869 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 69 LEU HA 1 69 LEU QD 3.350 . 5.000 2.029 1.748 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 12 LEU QD 1 69 LEU HA 3.590 . 5.480 2.802 1.835 3.774 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 69 LEU HA 1 69 LEU HB3 2.650 . 3.610 2.816 2.789 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 69 LEU H 1 69 LEU HB3 2.720 . 3.740 3.322 3.168 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 69 LEU HA 1 69 LEU HB2 2.740 . 3.780 2.904 2.853 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 9 GLU QG 1 69 LEU QD 3.850 . 6.000 2.860 1.773 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 69 LEU H 1 69 LEU QD 3.850 . 6.000 2.510 1.968 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 69 LEU QD 1 70 GLU HA 3.850 . 6.000 4.413 4.256 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 69 LEU QD 1 73 LYS QE 3.850 . 6.000 3.387 2.113 3.961 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 13 SER QB 1 69 LEU QD 3.850 . 6.000 3.851 3.415 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 13 SER H 1 69 LEU QD 3.850 . 6.000 4.059 3.652 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 66 ASP HA 1 69 LEU HG 3.850 . 6.000 4.390 3.683 5.589 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 69 LEU HA 1 69 LEU HG 3.710 . 5.720 3.130 1.915 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 69 LEU H 1 69 LEU HG 3.100 . 4.500 3.925 3.160 4.172 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 12 LEU HA 1 15 LEU H 2.950 . 4.200 3.593 3.167 3.927 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 12 LEU HA 1 12 LEU HB3 2.650 . 3.600 2.675 2.440 2.859 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 12 LEU HA 1 12 LEU HG 2.940 . 4.170 2.474 1.953 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 12 LEU HA 1 13 SER H 3.070 . 4.440 3.559 3.489 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 9 GLU HA 1 12 LEU HB2 2.650 . 3.600 2.607 1.879 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 12 LEU HA 1 12 LEU HB2 2.660 . 3.620 2.982 2.867 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 12 LEU H 1 12 LEU HB2 2.500 . 3.290 2.115 1.951 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 12 LEU HA 1 12 LEU QD 3.060 . 4.420 2.362 1.760 2.933 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 12 LEU H 1 12 LEU QD 3.850 . 6.000 2.844 1.809 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 12 LEU HB3 1 12 LEU HG 2.650 . 3.600 2.913 2.552 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 12 LEU HB2 1 12 LEU HG 2.820 . 3.940 2.653 2.367 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 18 MET HA 1 19 PHE H 2.980 . 4.260 3.408 3.318 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 18 MET HA 1 18 MET QB 2.650 . 3.590 2.410 2.308 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 18 MET HA 1 18 MET QG 2.810 . 3.920 2.249 2.002 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 18 MET H 1 18 MET HA 2.520 . 3.350 2.956 2.879 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 15 LEU HA 1 18 MET ME 3.670 . 5.640 2.597 1.969 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 15 LEU QD 1 18 MET ME 3.850 . 6.000 2.423 1.699 3.639 0.001 20 0 "[ . 1 . 2 . 3]" 1
836 1 15 LEU H 1 18 MET ME 3.850 . 6.000 4.270 3.487 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 18 MET HA 1 18 MET ME 3.850 . 6.000 4.343 3.960 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 18 MET H 1 18 MET ME 3.850 . 6.000 4.200 3.624 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 35 MET HA 1 36 LEU H 2.950 . 4.200 3.560 3.537 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 32 LEU HA 1 35 MET QB 3.000 . 4.290 2.473 2.106 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 35 MET QB 1 36 LEU H 2.760 . 3.820 2.555 2.272 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 35 MET H 1 35 MET QB 2.480 . 3.270 2.139 2.067 2.701 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 35 MET HA 1 35 MET QG 2.400 . 3.110 2.562 2.409 2.661 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 35 MET QG 1 36 LEU H 2.650 . 3.610 3.168 2.788 3.299 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 52 MET HA 1 55 GLY QA 3.250 . 4.790 3.249 2.742 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 52 MET HA 1 63 ILE MD 3.050 . 4.400 3.291 2.868 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 52 MET HA 1 53 LYS H 3.000 . 4.300 3.516 3.407 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 52 MET HA 1 52 MET QB 2.660 . 3.620 2.357 2.276 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 52 MET HA 1 52 MET QG 2.850 . 4.000 2.859 1.954 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 52 MET H 1 52 MET HA 2.570 . 3.440 2.858 2.774 2.929 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 48 ILE MG 1 52 MET QB 3.420 . 5.140 3.557 2.929 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 30 GLU H 1 52 MET ME 3.850 . 6.000 4.894 4.523 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 52 MET ME 1 71 PHE HZ 3.850 . 6.000 4.747 4.079 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 52 MET ME 1 63 ILE HA 3.850 . 6.000 4.904 4.653 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 52 MET ME 1 63 ILE MD 3.800 . 5.900 2.090 1.746 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 52 MET ME 1 63 ILE QG 3.310 . 4.920 2.599 2.093 3.278 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 52 MET ME 1 63 ILE MG 3.850 . 6.000 3.850 3.420 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 52 MET ME 1 63 ILE H 3.450 . 5.200 4.111 3.486 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 29 LEU HA 1 52 MET ME 3.020 . 4.340 2.295 1.918 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 29 LEU H 1 52 MET ME 3.250 . 4.790 3.250 2.570 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 32 LEU QD 1 52 MET ME 2.940 . 4.170 2.030 1.599 2.577 0.101 1 0 "[ . 1 . 2 . 3]" 1
862 1 52 MET ME 1 52 MET QG 3.290 . 4.870 2.140 1.877 2.331 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 52 MET H 1 52 MET ME 3.850 . 6.000 4.663 4.038 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 52 MET H 1 52 MET QG 3.020 . 4.340 3.566 2.434 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 72 MET HA 1 72 MET QB 2.650 . 3.610 2.457 2.346 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 72 MET HA 1 75 VAL MG2 3.460 . 5.220 3.039 1.803 3.856 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 68 PHE HZ 1 72 MET ME 3.580 . 5.460 2.294 1.867 3.092 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 71 PHE QB 1 72 MET ME 3.850 . 6.000 4.202 2.532 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 15 LEU MD1 1 72 MET ME 3.430 . 5.160 2.973 1.900 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 12 LEU HA 1 72 MET ME 3.850 . 6.000 4.705 3.891 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 72 MET HA 1 72 MET ME 3.470 . 5.240 3.526 2.213 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 72 MET H 1 72 MET ME 3.850 . 6.000 3.926 2.453 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 22 ASN HB3 1 23 ALA H 2.380 . 3.070 2.902 2.589 3.103 0.033 11 0 "[ . 1 . 2 . 3]" 1
874 1 22 ASN HB3 1 22 ASN HD21 2.730 . 3.770 3.534 3.021 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 22 ASN HB2 1 22 ASN HD21 2.810 . 3.920 2.977 2.714 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 58 ASN HA 1 58 ASN HD21 3.850 . 6.000 4.663 4.190 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 58 ASN HA 1 59 ASN HD22 3.830 . 5.960 5.341 3.775 5.939 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 58 ASN HA 1 58 ASN HB3 2.650 . 3.590 2.489 2.321 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 58 ASN HB3 1 58 ASN HD21 3.390 . 5.080 2.646 2.241 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 58 ASN HA 1 58 ASN HB2 2.650 . 3.600 2.468 2.384 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 58 ASN HB2 1 58 ASN HD21 3.330 . 4.960 2.703 2.329 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 59 ASN HA 1 60 ASP H 2.790 . 3.880 2.519 2.371 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 59 ASN HA 1 59 ASN HB2 2.700 . 3.700 3.018 2.966 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 59 ASN HA 1 59 ASN HB3 2.650 . 3.590 2.555 2.395 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 58 ASN HA 1 59 ASN HB2 3.520 . 5.330 4.024 3.770 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 59 ASN HB2 1 59 ASN HD21 3.320 . 4.940 2.735 2.250 3.624 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 59 ASN HB3 1 59 ASN HD21 3.450 . 5.200 3.249 2.245 3.621 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 36 LEU HB2 1 37 GLN HA 3.850 . 6.000 4.161 4.015 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 37 GLN HA 1 37 GLN QG 2.730 . 3.770 2.252 1.929 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 37 GLN QB 1 37 GLN HE22 3.850 . 6.000 3.488 3.128 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 17 ARG HA 1 17 ARG QD 3.820 . 5.940 3.791 2.103 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 17 ARG H 1 17 ARG QD 3.850 . 6.000 3.995 2.524 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 17 ARG HA 1 17 ARG QG 3.270 . 4.830 2.337 1.921 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 62 ARG HB2 1 63 ILE H 2.770 . 3.850 3.584 2.072 3.867 0.017 20 0 "[ . 1 . 2 . 3]" 1
895 1 62 ARG HA 1 62 ARG HB2 2.670 . 3.630 2.953 2.528 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 62 ARG HB2 1 62 ARG QD 2.990 . 4.280 2.553 2.005 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 26 TYR HB2 1 62 ARG HB2 3.020 . 4.340 4.094 2.884 4.359 0.019 17 0 "[ . 1 . 2 . 3]" 1
898 1 62 ARG HA 1 62 ARG HB3 2.660 . 3.620 2.542 2.338 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 62 ARG HB3 1 62 ARG QD 2.730 . 3.760 2.430 1.957 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 26 TYR HB2 1 62 ARG HB3 2.950 . 4.200 3.064 2.682 4.218 0.018 6 0 "[ . 1 . 2 . 3]" 1
901 1 62 ARG HA 1 62 ARG QG 2.850 . 4.000 2.470 2.093 3.333 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 62 ARG H 1 62 ARG QG 2.790 . 3.880 2.742 1.807 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 4 SER HA 1 5 LYS H 3.060 . 4.410 3.000 2.381 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 13 SER HA 1 14 ASP H 3.770 . 5.840 3.578 3.495 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 13 SER HA 1 16 PHE H 3.720 . 5.740 3.529 3.202 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 13 SER QB 1 14 ASP H 3.370 . 5.040 2.930 2.075 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 13 SER H 1 13 SER QB 3.040 . 4.380 2.305 1.938 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 39 THR HA 1 39 THR MG 3.120 . 4.540 2.637 1.970 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 39 THR H 1 39 THR HA 2.830 . 3.960 2.992 2.956 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 39 THR HB 1 39 THR MG 2.420 . 3.130 2.126 2.104 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 39 THR H 1 39 THR HB 2.920 . 4.140 3.271 2.417 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 42 THR HA 1 42 THR HB 2.640 . 3.580 2.766 2.379 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 42 THR HA 1 42 THR MG 3.070 . 4.440 2.469 1.958 3.193 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 42 THR H 1 42 THR HB 3.160 . 4.620 3.137 2.207 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 42 THR HB 1 42 THR MG 2.410 . 3.120 2.125 2.104 2.146 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 44 THR HA 1 46 ASP H 3.730 . 5.750 4.125 3.939 4.676 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 44 THR HA 1 44 THR MG 3.200 . 4.700 2.272 1.913 2.498 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 44 THR HB 1 45 GLU H 2.320 . 2.940 2.400 1.914 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 44 THR HB 1 44 THR MG 2.420 . 3.150 2.132 2.104 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 8 THR HA 1 8 THR HB 2.640 . 3.580 2.554 2.428 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 75 VAL HA 1 75 VAL HB 2.640 . 3.580 2.985 2.866 3.031 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 75 VAL HA 1 75 VAL MG2 3.210 . 4.710 2.464 2.018 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 75 VAL MG2 1 76 GLU H 3.850 . 6.000 3.832 2.474 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 71 PHE HZ 1 75 VAL MG2 3.850 . 6.000 4.409 3.329 5.009 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 75 VAL H 1 75 VAL MG2 3.270 . 4.830 2.533 1.879 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 75 VAL MG1 1 76 GLU H 3.850 . 6.000 3.318 1.808 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 72 MET HA 1 75 VAL MG1 3.850 . 6.000 3.347 2.573 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 75 VAL HA 1 75 VAL MG1 3.380 . 5.050 2.322 1.911 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 75 VAL H 1 75 VAL MG1 3.850 . 6.000 3.720 3.560 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 16 PHE HZ 1 26 TYR HA 2.720 . 3.740 1.878 1.838 2.089 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 26 TYR HA 1 26 TYR HB3 2.650 . 3.610 2.450 2.401 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 26 TYR HA 1 26 TYR HB2 2.730 . 3.750 3.035 3.028 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 26 TYR HA 1 65 TYR H 3.480 . 5.260 5.189 4.993 5.279 0.019 10 0 "[ . 1 . 2 . 3]" 1
934 1 26 TYR HB2 1 62 ARG QD 2.920 . 4.140 2.909 1.865 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 65 TYR HA 1 66 ASP H 3.270 . 4.830 3.469 3.343 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 65 TYR HA 1 67 GLU H 3.560 . 5.410 5.180 4.687 5.421 0.011 6 0 "[ . 1 . 2 . 3]" 1
937 1 65 TYR HA 1 68 PHE H 2.870 . 4.040 3.960 3.785 4.058 0.018 22 0 "[ . 1 . 2 . 3]" 1
938 1 63 ILE MG 1 65 TYR HA 3.850 . 6.000 4.589 4.436 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 65 TYR HA 1 69 LEU H 3.250 . 4.790 4.146 3.708 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
940 1 65 TYR HA 1 65 TYR HB2 2.650 . 3.610 2.565 2.427 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 65 TYR HB2 1 66 ASP H 2.950 . 4.200 3.940 3.223 4.222 0.022 17 0 "[ . 1 . 2 . 3]" 1
942 1 65 TYR HB3 1 66 ASP H 2.730 . 3.760 3.037 2.364 3.617 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 19 PHE QD 1 38 ALA MB 3.850 . 6.000 3.673 3.063 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 24 ASP QB 1 26 TYR QD 3.850 . 6.000 4.068 3.432 4.547 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 16 PHE QE 1 64 ASP HA 3.850 . 6.000 2.745 2.378 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 26 TYR QD 1 64 ASP HA 3.370 . 5.040 3.045 1.882 3.538 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 26 TYR QE 1 64 ASP HA 3.850 . 6.000 4.151 3.458 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 26 TYR QD 1 64 ASP HB3 3.770 . 5.840 2.164 1.853 2.744 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 26 TYR QD 1 64 ASP HB2 3.850 . 6.000 3.711 2.729 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 26 TYR QE 1 64 ASP HB2 3.830 . 5.950 3.223 2.270 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 65 TYR QD 1 66 ASP HA 3.850 . 6.000 4.567 3.025 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 16 PHE HA 1 16 PHE QD 3.610 . 5.520 2.977 2.000 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 16 PHE HA 1 19 PHE QD 3.850 . 6.000 4.366 3.566 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 16 PHE QB 1 68 PHE QD 3.850 . 6.000 3.296 2.877 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 16 PHE QB 1 65 TYR QE 3.850 . 6.000 3.885 2.803 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 16 PHE QD 1 27 ILE MD 3.850 . 6.000 3.402 2.070 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 19 PHE HA 1 19 PHE QD 3.850 . 6.000 2.443 2.031 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 68 PHE HA 1 68 PHE QD 3.650 . 5.590 2.985 2.533 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 27 ILE MD 1 68 PHE QD 3.850 . 6.000 4.098 3.753 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 63 ILE MG 1 68 PHE QD 3.850 . 6.000 2.594 1.909 3.257 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 68 PHE QD 1 69 LEU HA 3.850 . 6.000 2.896 2.433 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 68 PHE QD 1 69 LEU QD 3.850 . 6.000 2.630 1.921 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 12 LEU HB3 1 68 PHE QD 3.850 . 6.000 3.726 2.930 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 12 LEU QD 1 68 PHE QD 3.850 . 6.000 3.473 2.628 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 27 ILE MD 1 68 PHE QE 3.850 . 6.000 4.222 3.582 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 15 LEU MD1 1 68 PHE QE 3.850 . 6.000 4.095 3.442 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 68 PHE QE 1 69 LEU QD 3.850 . 6.000 3.729 3.034 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 12 LEU QD 1 68 PHE QE 3.850 . 6.000 2.344 1.791 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 71 PHE HA 1 71 PHE QD 3.620 . 5.540 2.572 1.828 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 16 PHE QE 1 25 GLY QA 3.850 . 6.000 3.224 2.809 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 55 GLY QA 1 71 PHE QD 3.850 . 6.000 2.156 1.805 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 16 PHE QE 1 27 ILE MD 3.850 . 6.000 3.486 2.490 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 19 PHE QE 1 34 ILE MG 3.850 . 6.000 4.294 3.673 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 63 ILE MD 1 71 PHE QE 3.850 . 6.000 3.115 2.274 4.329 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 16 PHE QD 1 63 ILE MG 3.850 . 6.000 3.379 2.796 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 16 PHE QE 1 63 ILE MG 3.850 . 6.000 2.295 1.836 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 15 LEU HA 1 19 PHE QD 3.850 . 6.000 2.832 2.166 3.350 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 15 LEU QB 1 19 PHE QD 3.830 . 5.950 3.024 2.219 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 15 LEU MD1 1 19 PHE QD 3.640 . 5.580 3.785 2.024 4.142 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 15 LEU HG 1 19 PHE QD 3.850 . 6.000 4.254 1.893 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 51 LEU MD1 1 71 PHE QD 3.850 . 6.000 4.098 3.530 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 51 LEU MD1 1 71 PHE QE 3.850 . 6.000 2.408 1.841 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 51 LEU MD2 1 71 PHE QE 3.850 . 6.000 3.606 1.954 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 65 TYR QD 1 69 LEU QD 3.850 . 6.000 2.756 1.850 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 65 TYR QE 1 69 LEU QD 3.850 . 6.000 2.630 1.935 3.530 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 12 LEU HA 1 68 PHE QE 3.850 . 6.000 3.204 2.459 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 12 LEU HB3 1 68 PHE QE 3.850 . 6.000 2.686 1.897 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 12 LEU HB2 1 68 PHE QE 3.850 . 6.000 4.295 3.512 5.259 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 18 MET ME 1 19 PHE QD 3.850 . 6.000 3.851 3.044 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 19 PHE QD 1 35 MET HA 3.850 . 6.000 2.092 1.858 2.371 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 19 PHE QE 1 35 MET HA 3.850 . 6.000 2.163 1.875 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 35 MET ME 1 68 PHE QE 3.850 . 6.000 2.539 1.839 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 19 PHE QE 1 35 MET QG 3.850 . 6.000 2.942 2.655 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 52 MET ME 1 71 PHE QD 3.850 . 6.000 4.413 4.175 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 52 MET ME 1 71 PHE QE 3.850 . 6.000 3.572 2.968 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 71 PHE QD 1 72 MET HA 3.850 . 6.000 3.425 2.370 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 71 PHE QD 1 72 MET ME 3.850 . 6.000 3.566 2.715 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 71 PHE QE 1 72 MET ME 3.850 . 6.000 3.974 3.154 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 16 PHE QD 1 17 ARG HA 3.850 . 6.000 2.842 2.435 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 26 TYR QD 1 62 ARG HB2 3.850 . 6.000 4.045 2.949 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 26 TYR QD 1 62 ARG HB3 3.850 . 6.000 3.692 2.969 5.342 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 26 TYR QD 1 62 ARG QD 3.850 . 6.000 4.034 2.576 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 26 TYR QD 1 62 ARG QG 3.850 . 6.000 4.602 3.039 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 13 SER HA 1 65 TYR QE 3.580 . 5.460 2.121 1.872 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 13 SER QB 1 65 TYR QE 3.850 . 6.000 2.240 1.793 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 71 PHE QD 1 75 VAL MG2 3.850 . 6.000 2.985 1.851 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 71 PHE QE 1 75 VAL MG2 3.850 . 6.000 3.079 1.930 4.414 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 16 PHE QE 1 26 TYR HA 3.850 . 6.000 3.260 2.725 3.417 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 26 TYR HA 1 26 TYR QD 3.680 . 5.660 3.045 2.784 3.171 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 26 TYR HA 1 26 TYR QE 3.850 . 6.000 4.696 4.589 4.772 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 26 TYR QE 1 64 ASP HB3 3.560 . 5.420 2.227 1.989 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 16 PHE QE 1 65 TYR HA 3.720 . 5.740 3.706 2.353 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 65 TYR HA 1 68 PHE QD 3.850 . 6.000 3.831 3.147 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 65 TYR HA 1 65 TYR QD 3.380 . 5.050 2.184 1.864 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 16 PHE QB 1 65 TYR QD 3.850 . 6.000 3.375 2.892 4.336 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 65 TYR QE 1 69 LEU HG 3.850 . 6.000 4.418 2.531 5.350 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 65 TYR HA 1 65 TYR QE 3.850 . 6.000 4.268 4.079 4.642 . 0 0 "[ . 1 . 2 . 3]" 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 4
_Distance_constraint_stats_list.Viol_count 25
_Distance_constraint_stats_list.Viol_total 10.628
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0142
_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 20 ASP 0.321 0.026 9 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.321 0.026 9 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.033 0.016 17 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.033 0.016 17 0 "[ . 1 . 2 . 3]"
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 20 ASP OD2 1 25 GLY H 2.000 . 2.300 2.304 2.215 2.326 0.026 9 0 "[ . 1 . 2 . 3]" 2
2 1 20 ASP OD2 1 25 GLY N 2.900 2.500 3.300 3.196 3.037 3.277 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 56 ASP OD2 1 61 GLY H 2.000 . 2.300 2.216 2.100 2.316 0.016 17 0 "[ . 1 . 2 . 3]" 2
4 1 56 ASP OD2 1 61 GLY N 2.900 2.500 3.300 3.122 2.981 3.282 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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