NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382103 |
1jc2   |
5071 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jc2
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 780
_Distance_constraint_stats_list.Viol_count 283
_Distance_constraint_stats_list.Viol_total 220.587
_Distance_constraint_stats_list.Viol_max 0.126
_Distance_constraint_stats_list.Viol_rms 0.0037
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0260
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 LEU 0.156 0.084 13 0 "[ . 1 . 2 . 3]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 ARG 0.021 0.021 1 0 "[ . 1 . 2 . 3]"
1 18 ILE 0.084 0.023 6 0 "[ . 1 . 2 . 3]"
1 19 PHE 0.091 0.023 6 0 "[ . 1 . 2 . 3]"
1 20 ASP 0.162 0.072 24 0 "[ . 1 . 2 . 3]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 22 ASN 0.098 0.047 23 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.108 0.047 23 0 "[ . 1 . 2 . 3]"
1 24 ASP 0.184 0.070 24 0 "[ . 1 . 2 . 3]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 PHE 0.246 0.070 24 0 "[ . 1 . 2 . 3]"
1 27 ILE 0.001 0.001 29 0 "[ . 1 . 2 . 3]"
1 28 ASP 0.242 0.060 5 0 "[ . 1 . 2 . 3]"
1 29 ILE 0.316 0.060 5 0 "[ . 1 . 2 . 3]"
1 30 GLU 0.157 0.028 27 0 "[ . 1 . 2 . 3]"
1 31 GLU 0.157 0.028 27 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.078 0.028 18 0 "[ . 1 . 2 . 3]"
1 33 GLY 0.011 0.011 13 0 "[ . 1 . 2 . 3]"
1 34 GLU 1.302 0.109 19 0 "[ . 1 . 2 . 3]"
1 35 ILE 1.302 0.109 19 0 "[ . 1 . 2 . 3]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 37 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 39 THR 0.002 0.002 16 0 "[ . 1 . 2 . 3]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 41 GLU 0.002 0.002 16 0 "[ . 1 . 2 . 3]"
1 42 HIS 0.124 0.124 9 0 "[ . 1 . 2 . 3]"
1 43 VAL 0.136 0.124 9 0 "[ . 1 . 2 . 3]"
1 44 ILE 0.076 0.031 12 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 GLU 0.077 0.031 12 0 "[ . 1 . 2 . 3]"
1 47 ASP 1.954 0.126 26 0 "[ . 1 . 2 . 3]"
1 48 ILE 0.001 0.001 23 0 "[ . 1 . 2 . 3]"
1 49 GLU 1.419 0.126 26 0 "[ . 1 . 2 . 3]"
1 50 ASP 0.070 0.028 15 0 "[ . 1 . 2 . 3]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 52 MET 1.033 0.079 27 0 "[ . 1 . 2 . 3]"
1 53 LYS 1.009 0.079 27 0 "[ . 1 . 2 . 3]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 55 SER 0.124 0.036 26 0 "[ . 1 . 2 . 3]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 59 ASN 1.029 0.058 7 0 "[ . 1 . 2 . 3]"
1 60 ASP 0.077 0.037 27 0 "[ . 1 . 2 . 3]"
1 61 GLY 0.334 0.037 15 0 "[ . 1 . 2 . 3]"
1 62 ARG 0.107 0.034 26 0 "[ . 1 . 2 . 3]"
1 63 ILE 0.001 0.001 29 0 "[ . 1 . 2 . 3]"
1 64 ASP 0.072 0.024 10 0 "[ . 1 . 2 . 3]"
1 65 PHE 0.093 0.024 10 0 "[ . 1 . 2 . 3]"
1 66 ASP 0.057 0.032 27 0 "[ . 1 . 2 . 3]"
1 67 GLU 0.039 0.016 27 0 "[ . 1 . 2 . 3]"
1 68 PHE 0.022 0.016 20 0 "[ . 1 . 2 . 3]"
1 69 LEU 0.032 0.032 27 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.023 0.011 4 0 "[ . 1 . 2 . 3]"
1 71 MET 0.028 0.012 8 0 "[ . 1 . 2 . 3]"
1 72 MET 0.107 0.066 11 0 "[ . 1 . 2 . 3]"
1 73 GLU 0.042 0.028 26 0 "[ . 1 . 2 . 3]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 75 VAL 0.251 0.066 11 0 "[ . 1 . 2 . 3]"
1 76 GLN 0.113 0.040 6 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 4 ALA H 1 4 ALA HA 2.940 . 4.170 2.813 2.364 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 4 ALA HA 1 4 ALA MB 2.480 . 3.270 2.134 2.113 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 4 ALA HA 1 5 LYS H 2.520 . 3.350 2.566 2.217 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 5 LYS HA 1 5 LYS QB 2.670 . 3.630 2.450 2.201 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 5 LYS HA 1 5 LYS QD 3.790 . 5.880 3.494 1.917 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 5 LYS HA 1 5 LYS QG 3.400 . 5.100 2.340 1.901 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 5 LYS HA 1 6 GLY H 3.190 . 4.680 2.675 2.205 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 6 GLY QA 1 7 LYS H 2.790 . 3.870 2.342 2.158 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 7 LYS H 1 7 LYS QG 3.440 . 5.170 3.191 1.853 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 7 LYS HA 1 7 LYS QD 3.850 . 6.000 3.340 2.050 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 7 LYS HA 1 7 LYS QG 3.560 . 5.420 2.539 1.912 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 7 LYS QB 1 8 SER H 3.850 . 6.000 3.220 1.848 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 7 LYS QB 1 11 GLU QB 3.330 . 4.960 3.241 1.812 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 7 LYS QB 1 12 LEU QD 3.720 . 5.740 2.944 1.830 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 7 LYS QD 1 11 GLU QB 3.670 . 5.630 3.633 1.991 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 7 LYS QG 1 12 LEU QD 3.580 . 5.460 2.960 1.815 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 8 SER H 1 8 SER QB 2.890 . 4.080 2.450 1.930 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 8 SER H 1 11 GLU QB 3.550 . 5.400 2.911 1.801 4.805 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 8 SER HA 1 8 SER QB 2.660 . 3.620 2.431 2.174 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 8 SER HA 1 9 GLU H 2.790 . 3.890 2.452 2.251 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 8 SER QB 1 9 GLU H 2.630 . 3.570 2.835 2.296 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 8 SER QB 1 10 GLU H 2.420 . 3.150 2.725 2.431 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 9 GLU H 1 9 GLU HA 2.910 . 4.120 2.764 2.374 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 9 GLU H 1 9 GLU QB 2.930 . 4.160 2.125 1.941 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 9 GLU H 1 9 GLU QG 3.100 . 4.500 3.379 1.864 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 9 GLU H 1 10 GLU H 3.310 . 4.920 2.979 2.757 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 9 GLU HA 1 9 GLU QB 2.650 . 3.600 2.474 2.289 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 9 GLU HA 1 9 GLU QG 3.000 . 4.290 2.230 1.920 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 9 GLU HA 1 10 GLU H 3.350 . 5.000 3.577 3.543 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 9 GLU HA 1 12 LEU H 2.990 . 4.280 3.634 3.197 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 9 GLU HA 1 12 LEU QB 2.980 . 4.260 2.658 1.895 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 9 GLU HA 1 12 LEU QD 3.490 . 5.280 2.867 1.867 3.861 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 9 GLU HA 1 69 LEU QD 3.350 . 5.000 2.809 1.822 3.554 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 9 GLU QB 1 10 GLU H 2.930 . 4.160 2.464 2.219 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 9 GLU QB 1 69 LEU QD 3.710 . 5.710 3.263 2.274 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 9 GLU QG 1 69 LEU QD 3.120 . 4.540 2.068 1.708 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 10 GLU H 1 10 GLU HA 2.790 . 3.890 2.786 2.729 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 10 GLU H 1 10 GLU QB 2.840 . 3.980 2.094 1.945 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 10 GLU H 1 10 GLU QG 3.370 . 5.040 3.431 1.938 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 10 GLU H 1 11 GLU H 3.100 . 4.500 3.035 2.632 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 10 GLU HA 1 10 GLU QG 2.770 . 3.850 2.209 1.936 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 10 GLU HA 1 11 GLU H 3.050 . 4.400 3.584 3.560 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 10 GLU HA 1 13 ALA H 3.150 . 4.590 3.864 3.377 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 10 GLU QB 1 11 GLU H 3.020 . 4.340 2.275 1.848 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 10 GLU QG 1 13 ALA MB 3.850 . 6.000 3.943 3.113 4.391 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 11 GLU H 1 11 GLU HA 2.750 . 3.810 2.817 2.781 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 11 GLU H 1 11 GLU QB 2.750 . 3.790 2.081 1.924 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 11 GLU H 1 11 GLU QG 3.240 . 4.780 3.304 2.066 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 11 GLU H 1 12 LEU H 2.460 . 3.210 2.958 2.721 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 11 GLU H 1 13 ALA H 3.790 . 5.870 4.510 4.236 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 11 GLU HA 1 11 GLU QG 3.370 . 5.040 2.303 1.929 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 11 GLU HA 1 12 LEU H 3.220 . 4.740 3.584 3.540 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 11 GLU HA 1 14 ASN H 3.000 . 4.290 3.839 3.535 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 11 GLU HA 1 14 ASN HB2 2.750 . 3.800 3.012 2.532 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 11 GLU HA 1 14 ASN HB3 3.380 . 5.060 4.367 3.763 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 11 GLU QB 1 12 LEU H 2.890 . 4.080 2.310 1.898 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 12 LEU H 1 12 LEU HA 2.830 . 3.970 2.824 2.777 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 12 LEU H 1 12 LEU QB 2.650 . 3.600 2.154 1.965 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 12 LEU H 1 12 LEU QD 3.430 . 5.160 2.597 1.771 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 12 LEU H 1 12 LEU HG 2.650 . 3.590 2.941 1.872 3.674 0.084 13 0 "[ . 1 . 2 . 3]" 1
61 1 12 LEU H 1 13 ALA H 3.060 . 4.410 2.933 2.435 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 12 LEU H 1 13 ALA MB 3.850 . 6.000 4.310 3.939 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 12 LEU HA 1 12 LEU QD 3.160 . 4.620 2.312 1.750 2.881 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 12 LEU HA 1 12 LEU HG 3.060 . 4.420 2.667 1.942 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 12 LEU HA 1 15 CYS H 2.960 . 4.220 3.502 3.192 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 12 LEU HA 1 15 CYS HB2 2.950 . 4.200 2.811 2.113 3.609 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 12 LEU QB 1 13 ALA H 3.750 . 5.800 2.348 2.097 2.761 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 12 LEU QB 1 69 LEU QD 2.890 . 4.080 2.288 1.766 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 12 LEU QD 1 15 CYS HB2 3.850 . 6.000 3.882 2.873 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 12 LEU QD 1 69 LEU HA 3.460 . 5.220 2.869 1.857 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 12 LEU QD 1 72 MET H 3.790 . 5.880 3.960 3.275 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 12 LEU QD 1 72 MET QB 2.540 . 3.380 2.002 1.688 2.244 0.012 21 0 "[ . 1 . 2 . 3]" 1
73 1 13 ALA H 1 13 ALA HA 2.610 . 3.520 2.774 2.746 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 13 ALA H 1 13 ALA MB 3.160 . 4.620 2.038 1.935 2.174 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 13 ALA H 1 14 ASN H 3.560 . 5.410 3.012 2.830 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 13 ALA HA 1 13 ALA MB 2.420 . 3.140 2.133 2.113 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 13 ALA HA 1 14 ASN H 3.020 . 4.340 3.580 3.547 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 13 ALA HA 1 16 PHE H 3.040 . 4.370 3.601 3.145 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 13 ALA HA 1 16 PHE QB 2.690 . 3.680 2.856 2.190 3.283 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 13 ALA MB 1 14 ASN H 3.520 . 5.330 2.364 2.052 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 13 ALA MB 1 16 PHE H 3.850 . 6.000 4.497 4.239 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 13 ALA MB 1 69 LEU QD 3.850 . 6.000 3.349 2.056 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 14 ASN H 1 14 ASN HA 3.000 . 4.300 2.827 2.785 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 14 ASN H 1 14 ASN HB2 2.740 . 3.780 2.103 1.941 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 14 ASN H 1 14 ASN HB3 3.010 . 4.320 3.419 3.193 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 14 ASN H 1 15 CYS H 3.010 . 4.320 2.845 2.574 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 14 ASN H 1 16 PHE H 3.350 . 5.000 4.082 3.891 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 14 ASN HA 1 17 ARG H 3.380 . 5.060 4.099 3.694 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 14 ASN HB2 1 15 CYS H 2.540 . 3.370 2.715 2.371 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 14 ASN HB3 1 15 CYS H 2.630 . 3.560 3.086 2.530 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 15 CYS H 1 15 CYS HA 2.840 . 3.980 2.836 2.763 2.918 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 15 CYS H 1 15 CYS HB2 2.660 . 3.620 2.139 1.940 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 15 CYS H 1 15 CYS HB3 2.920 . 4.140 3.246 2.495 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 15 CYS H 1 16 PHE H 2.610 . 3.520 2.734 2.500 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 15 CYS HA 1 15 CYS HB2 2.750 . 3.790 2.879 2.493 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 15 CYS HA 1 15 CYS HB3 2.680 . 3.660 2.771 2.458 3.035 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 15 CYS HA 1 18 ILE H 3.120 . 4.540 3.243 3.055 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 15 CYS HA 1 18 ILE HB 3.080 . 4.460 2.514 2.055 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 15 CYS HA 1 18 ILE MD 3.480 . 5.250 3.636 1.859 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 15 CYS HA 1 18 ILE QG 2.850 . 4.000 2.569 1.924 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 15 CYS HA 1 18 ILE MG 3.330 . 4.960 3.680 3.180 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 15 CYS HB2 1 16 PHE H 2.940 . 4.170 3.297 2.655 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 15 CYS HB3 1 16 PHE H 3.080 . 4.460 3.437 2.761 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 16 PHE H 1 16 PHE HA 2.760 . 3.820 2.794 2.753 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 16 PHE H 1 16 PHE QB 2.730 . 3.750 2.141 1.994 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 16 PHE H 1 17 ARG H 2.660 . 3.620 3.048 2.870 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 16 PHE HA 1 16 PHE QB 2.670 . 3.630 2.394 2.305 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 16 PHE HA 1 19 PHE H 2.960 . 4.220 3.720 3.439 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 16 PHE HA 1 19 PHE HB2 2.880 . 4.050 3.154 2.558 3.692 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 16 PHE HA 1 27 ILE MD 3.350 . 5.000 3.346 2.514 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 16 PHE QB 1 17 ARG H 2.960 . 4.220 2.156 1.952 2.496 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 17 ARG H 1 17 ARG HA 2.710 . 3.710 2.835 2.770 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 17 ARG H 1 17 ARG QB 2.610 . 3.520 2.122 1.931 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 17 ARG H 1 17 ARG QG 2.890 . 4.080 2.784 1.847 3.728 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 17 ARG H 1 18 ILE H 2.690 . 3.690 2.761 2.589 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 17 ARG HA 1 17 ARG QG 2.900 . 4.100 2.449 1.953 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 17 ARG HA 1 18 ILE H 3.290 . 4.880 3.551 3.498 3.578 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 17 ARG HA 1 20 ASP H 2.870 . 4.040 3.500 3.090 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 17 ARG HA 1 20 ASP HB3 2.370 . 3.040 2.845 2.214 3.061 0.021 1 0 "[ . 1 . 2 . 3]" 1
120 1 17 ARG QB 1 18 ILE H 3.080 . 4.460 2.852 2.523 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 18 ILE H 1 18 ILE HA 2.690 . 3.690 2.851 2.828 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 18 ILE H 1 18 ILE HB 2.500 . 3.290 2.329 2.085 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 18 ILE H 1 18 ILE MD 3.550 . 5.400 2.846 1.843 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 18 ILE H 1 18 ILE QG 2.720 . 3.740 2.298 1.847 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 18 ILE H 1 18 ILE MG 3.060 . 4.410 3.676 3.589 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 18 ILE H 1 19 PHE H 2.270 . 2.830 2.759 2.638 2.853 0.023 6 0 "[ . 1 . 2 . 3]" 1
127 1 18 ILE HA 1 18 ILE HB 2.810 . 3.920 3.027 2.990 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 18 ILE HA 1 18 ILE MD 2.620 . 3.540 2.092 1.814 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 18 ILE HA 1 18 ILE QG 2.950 . 4.200 2.734 2.060 3.114 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 18 ILE HA 1 18 ILE MG 2.690 . 3.690 2.432 2.163 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 18 ILE HA 1 19 PHE H 2.840 . 3.980 3.566 3.512 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 18 ILE HB 1 18 ILE MD 3.020 . 4.330 2.972 2.064 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 18 ILE HB 1 19 PHE H 2.550 . 3.400 2.552 2.098 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 18 ILE QG 1 18 ILE MG 2.810 . 3.920 2.218 2.011 2.366 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 18 ILE MG 1 19 PHE H 3.080 . 4.460 3.251 2.696 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 19 PHE H 1 19 PHE HA 2.940 . 4.170 2.896 2.805 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 19 PHE H 1 19 PHE HB2 2.740 . 3.780 2.098 1.966 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 19 PHE H 1 19 PHE HB3 2.870 . 4.040 3.426 3.315 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 19 PHE H 1 20 ASP H 2.290 . 2.880 2.624 2.367 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 19 PHE HA 1 19 PHE HB2 2.820 . 3.940 2.984 2.928 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 19 PHE HA 1 19 PHE HB3 2.670 . 3.650 2.676 2.486 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 19 PHE HA 1 21 LYS QE 3.370 . 5.040 3.941 3.115 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 19 PHE HB2 1 20 ASP H 2.600 . 3.500 2.754 2.396 3.433 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 19 PHE HB2 1 27 ILE MD 3.080 . 4.460 2.964 2.011 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 19 PHE HB2 1 27 ILE MG 3.850 . 6.000 4.455 3.173 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 19 PHE HB2 1 35 ILE MD 3.580 . 5.460 4.212 3.675 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 19 PHE HB3 1 20 ASP H 2.730 . 3.760 3.245 2.527 3.767 0.007 22 0 "[ . 1 . 2 . 3]" 1
148 1 19 PHE HB3 1 27 ILE MD 3.080 . 4.460 2.791 1.738 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 19 PHE HB3 1 27 ILE MG 3.650 . 5.600 3.173 2.026 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 19 PHE HB3 1 35 ILE MD 2.810 . 3.920 2.936 2.346 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 20 ASP H 1 20 ASP HA 2.810 . 3.930 2.901 2.758 2.965 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 20 ASP H 1 20 ASP HB2 2.290 . 2.870 2.300 2.118 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 20 ASP H 1 20 ASP HB3 2.220 . 2.740 2.642 2.331 2.812 0.072 24 0 "[ . 1 . 2 . 3]" 1
154 1 20 ASP HA 1 20 ASP HB2 2.670 . 3.650 2.589 2.450 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 20 ASP HA 1 20 ASP HB3 2.830 . 3.970 3.018 2.976 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 20 ASP HA 1 21 LYS H 2.580 . 3.460 2.340 2.205 2.655 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 21 LYS H 1 21 LYS HA 2.710 . 3.730 2.917 2.774 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 21 LYS H 1 21 LYS QB 2.810 . 3.930 2.165 1.923 2.447 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 21 LYS H 1 21 LYS QD 3.850 . 6.000 3.738 2.388 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 21 LYS H 1 21 LYS QG 3.080 . 4.460 3.083 1.910 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 21 LYS H 1 22 ASN H 2.880 . 4.060 2.505 1.934 3.185 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 21 LYS H 1 31 GLU QG 3.290 . 4.870 3.990 3.208 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 21 LYS HA 1 21 LYS QD 3.190 . 4.670 3.129 1.871 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 21 LYS HA 1 21 LYS QG 2.980 . 4.260 2.288 1.930 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 21 LYS HA 1 22 ASN H 3.040 . 4.380 3.463 2.917 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 21 LYS QB 1 21 LYS QE 3.820 . 5.940 3.119 1.815 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 21 LYS QB 1 22 ASN H 3.020 . 4.340 2.896 2.343 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 21 LYS QB 1 22 ASN QB 3.520 . 5.330 3.979 3.477 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 21 LYS QE 1 21 LYS QG 3.260 . 4.820 2.145 1.905 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 21 LYS QG 1 22 ASN H 3.430 . 5.160 4.310 3.720 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 22 ASN H 1 22 ASN QB 3.040 . 4.380 2.427 1.933 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 22 ASN H 1 23 ALA HA 3.430 . 5.160 4.802 4.219 5.207 0.047 23 0 "[ . 1 . 2 . 3]" 1
173 1 22 ASN H 1 24 ASP H 3.350 . 5.000 4.309 3.419 5.013 0.013 21 0 "[ . 1 . 2 . 3]" 1
174 1 22 ASN QB 1 23 ALA H 3.060 . 4.420 3.095 1.894 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 23 ALA H 1 23 ALA HA 2.440 . 3.180 2.581 2.362 3.003 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 23 ALA H 1 23 ALA MB 2.950 . 4.200 2.557 1.980 2.863 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 23 ALA H 1 24 ASP H 3.050 . 4.400 3.054 1.823 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 23 ALA H 1 25 GLY H 3.850 . 6.000 4.890 3.586 5.942 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 23 ALA HA 1 23 ALA MB 2.420 . 3.130 2.129 2.112 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 23 ALA HA 1 24 ASP H 2.620 . 3.540 2.748 2.307 3.558 0.018 11 0 "[ . 1 . 2 . 3]" 1
181 1 23 ALA HA 1 25 GLY H 3.000 . 4.300 3.551 3.202 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 23 ALA MB 1 24 ASP H 3.250 . 4.790 3.605 2.543 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 23 ALA MB 1 25 GLY H 3.850 . 6.000 4.434 2.203 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 24 ASP H 1 24 ASP HA 2.770 . 3.840 2.928 2.362 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 24 ASP H 1 24 ASP QB 2.600 . 3.500 2.663 2.062 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 24 ASP H 1 25 GLY H 2.840 . 3.980 2.230 1.827 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 24 ASP H 1 26 PHE H 2.880 . 4.050 3.782 3.274 4.120 0.070 24 0 "[ . 1 . 2 . 3]" 1
188 1 25 GLY H 1 26 PHE H 2.850 . 4.000 2.440 1.807 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 25 GLY QA 1 26 PHE H 2.710 . 3.710 2.901 2.760 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 26 PHE H 1 26 PHE HA 2.830 . 3.970 2.969 2.960 2.987 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 26 PHE H 1 26 PHE HB2 2.620 . 3.540 2.827 2.572 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 26 PHE H 1 26 PHE HB3 2.820 . 3.940 3.886 3.738 3.944 0.004 12 0 "[ . 1 . 2 . 3]" 1
193 1 26 PHE HA 1 26 PHE HB2 2.810 . 3.910 3.030 3.004 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 26 PHE HA 1 26 PHE HB3 2.700 . 3.700 2.460 2.365 2.640 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 26 PHE HA 1 27 ILE H 2.750 . 3.790 2.229 2.201 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 26 PHE HA 1 64 ASP HA 2.810 . 3.920 3.285 2.710 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 26 PHE HB2 1 27 ILE H 3.680 . 5.660 4.190 3.944 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 26 PHE HB2 1 62 ARG HB2 3.120 . 4.540 4.392 3.892 4.574 0.034 26 0 "[ . 1 . 2 . 3]" 1
199 1 26 PHE HB2 1 62 ARG HB3 2.990 . 4.280 3.330 2.579 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 26 PHE HB2 1 62 ARG QD 2.690 . 3.680 2.328 1.763 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 26 PHE HB3 1 27 ILE H 3.160 . 4.620 3.434 3.048 3.818 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 26 PHE HB3 1 62 ARG HB2 2.950 . 4.200 3.483 2.735 4.209 0.009 3 0 "[ . 1 . 2 . 3]" 1
203 1 26 PHE HB3 1 62 ARG HB3 2.810 . 3.930 2.238 1.866 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 26 PHE HB3 1 62 ARG QD 2.600 . 3.500 2.666 1.963 3.116 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 26 PHE HB3 1 62 ARG QG 3.850 . 6.000 3.636 2.302 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 27 ILE H 1 27 ILE HB 2.950 . 4.200 2.395 2.219 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 27 ILE H 1 27 ILE MD 3.850 . 6.000 2.819 1.871 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 27 ILE H 1 27 ILE QG 3.250 . 4.790 2.292 1.862 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 27 ILE H 1 27 ILE MG 3.850 . 6.000 3.715 3.667 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 27 ILE H 1 63 ILE H 3.640 . 5.580 3.559 2.773 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 27 ILE H 1 63 ILE HB 2.960 . 4.210 3.623 2.934 4.211 0.001 29 0 "[ . 1 . 2 . 3]" 1
212 1 27 ILE HA 1 27 ILE QG 3.410 . 5.120 2.416 2.181 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 27 ILE HA 1 27 ILE MG 3.320 . 4.940 2.329 2.134 2.478 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 27 ILE HA 1 28 ASP H 2.730 . 3.770 2.225 2.207 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 27 ILE HB 1 27 ILE MD 2.750 . 3.810 2.117 1.886 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 27 ILE HB 1 63 ILE HB 2.350 . 3.000 2.333 1.862 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 27 ILE MD 1 63 ILE HB 3.040 . 4.370 3.270 2.854 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 27 ILE MD 1 63 ILE MD 3.850 . 6.000 3.848 3.484 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 27 ILE MD 1 63 ILE MG 3.750 . 5.790 2.534 2.061 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 27 ILE MG 1 28 ASP H 3.200 . 4.700 2.743 2.089 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 27 ILE MG 1 31 GLU QB 3.250 . 4.790 2.156 1.736 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 28 ASP H 1 28 ASP HB3 2.920 . 4.140 2.829 2.520 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 28 ASP H 1 31 GLU QB 2.520 . 3.350 2.556 2.106 2.954 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 28 ASP H 1 31 GLU QG 2.860 . 4.020 3.218 2.355 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 28 ASP HA 1 28 ASP HB2 2.690 . 3.690 2.512 2.400 2.583 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 28 ASP HA 1 28 ASP HB3 2.720 . 3.740 2.442 2.375 2.560 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 28 ASP HA 1 29 ILE H 2.870 . 4.040 2.661 2.484 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 28 ASP HA 1 52 MET ME 3.370 . 5.040 2.571 1.858 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 28 ASP HA 1 62 ARG QG 3.610 . 5.520 2.530 1.874 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 28 ASP HB2 1 29 ILE H 2.460 . 3.230 2.181 1.903 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 28 ASP HB2 1 29 ILE MG 3.850 . 6.000 3.070 2.716 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 28 ASP HB2 1 30 GLU H 3.500 . 5.300 3.118 2.810 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 28 ASP HB3 1 29 ILE H 2.690 . 3.670 3.630 3.426 3.730 0.060 5 0 "[ . 1 . 2 . 3]" 1
234 1 29 ILE H 1 29 ILE HA 2.770 . 3.840 2.877 2.813 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 29 ILE H 1 29 ILE HB 2.610 . 3.520 2.346 2.064 2.522 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 29 ILE H 1 29 ILE MD 3.850 . 6.000 3.968 3.608 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 29 ILE H 1 29 ILE QG 3.620 . 5.540 3.954 3.874 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 29 ILE H 1 29 ILE MG 2.640 . 3.580 2.084 1.826 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 29 ILE H 1 30 GLU H 2.650 . 3.600 2.661 2.467 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 29 ILE H 1 52 MET ME 3.100 . 4.500 3.156 2.023 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 29 ILE HA 1 29 ILE HB 2.650 . 3.600 2.536 2.451 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 29 ILE HA 1 29 ILE MD 2.880 . 4.050 2.874 2.132 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 29 ILE HA 1 29 ILE QG 2.830 . 3.970 2.339 2.010 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 29 ILE HA 1 29 ILE MG 3.130 . 4.560 3.190 3.140 3.204 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 29 ILE HA 1 30 GLU H 3.230 . 4.750 3.567 3.532 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 29 ILE HA 1 32 LEU H 3.100 . 4.500 3.513 3.207 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 29 ILE HA 1 32 LEU HB3 2.750 . 3.810 3.648 3.306 3.838 0.028 18 0 "[ . 1 . 2 . 3]" 1
248 1 29 ILE HA 1 33 GLY H 3.660 . 5.620 4.571 4.170 5.631 0.011 13 0 "[ . 1 . 2 . 3]" 1
249 1 29 ILE HA 1 48 ILE MG 3.080 . 4.460 3.261 2.873 3.535 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 29 ILE HA 1 52 MET ME 2.840 . 3.980 2.966 2.368 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 29 ILE HB 1 29 ILE MD 2.640 . 3.580 2.055 1.885 2.231 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 29 ILE HB 1 29 ILE QG 2.670 . 3.630 2.524 2.467 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 29 ILE HB 1 29 ILE MG 2.420 . 3.140 2.148 2.134 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 29 ILE HB 1 30 GLU H 3.220 . 4.740 3.752 3.536 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 29 ILE MD 1 49 GLU H 3.850 . 6.000 3.468 2.660 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 29 ILE MD 1 49 GLU HA 2.840 . 3.980 2.028 1.728 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 29 ILE MD 1 49 GLU QG 3.100 . 4.500 2.285 1.725 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 29 ILE MD 1 52 MET H 3.850 . 6.000 3.851 3.179 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 29 ILE MD 1 52 MET HB2 2.990 . 4.280 2.774 1.932 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 29 ILE MD 1 52 MET HB3 3.200 . 4.700 2.885 2.385 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 29 ILE MD 1 52 MET QG 3.250 . 4.790 3.260 2.595 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 29 ILE QG 1 29 ILE MG 2.810 . 3.910 2.074 1.972 2.119 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 29 ILE QG 1 32 LEU HB3 3.100 . 4.500 3.843 3.405 4.033 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 29 ILE QG 1 49 GLU QG 3.830 . 5.960 3.674 2.855 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 29 ILE MG 1 30 GLU H 2.690 . 3.670 1.828 1.749 2.041 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 29 ILE MG 1 30 GLU HA 3.290 . 4.870 3.007 2.881 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 29 ILE MG 1 30 GLU QG 3.170 . 4.630 2.783 2.014 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 29 ILE MG 1 31 GLU H 3.850 . 6.000 4.244 3.969 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 30 GLU H 1 30 GLU HA 2.730 . 3.750 2.821 2.792 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 30 GLU H 1 30 GLU QB 3.080 . 4.460 2.121 1.922 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 30 GLU H 1 30 GLU QG 2.930 . 4.160 2.766 1.915 3.526 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 30 GLU H 1 31 GLU H 2.330 . 2.960 2.912 2.773 2.988 0.028 27 0 "[ . 1 . 2 . 3]" 1
273 1 30 GLU HA 1 30 GLU QG 2.890 . 4.080 2.269 1.929 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 30 GLU HA 1 31 GLU H 3.120 . 4.540 3.583 3.514 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 30 GLU QB 1 31 GLU H 3.410 . 5.120 2.441 2.066 3.527 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 31 GLU H 1 31 GLU HA 2.740 . 3.780 2.823 2.757 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 31 GLU H 1 31 GLU QB 2.680 . 3.660 2.148 1.958 2.377 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 31 GLU H 1 31 GLU QG 2.690 . 3.690 2.534 2.007 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 31 GLU HA 1 31 GLU QG 2.810 . 3.930 2.159 1.939 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 31 GLU QB 1 32 LEU H 3.480 . 5.260 2.492 2.157 2.755 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 32 LEU H 1 32 LEU HA 2.830 . 3.960 2.820 2.733 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 32 LEU H 1 32 LEU HB2 3.060 . 4.420 1.952 1.926 2.024 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 32 LEU H 1 32 LEU HB3 3.120 . 4.540 3.182 2.973 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 32 LEU H 1 32 LEU QD 3.730 . 5.760 2.992 2.533 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 32 LEU H 1 32 LEU HG 3.850 . 6.000 4.010 3.377 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 32 LEU H 1 33 GLY H 3.750 . 5.800 2.876 2.708 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 32 LEU H 1 35 ILE MD 3.850 . 6.000 3.648 2.936 4.652 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 32 LEU HA 1 32 LEU HB2 2.670 . 3.630 2.830 2.711 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 32 LEU HA 1 32 LEU QD 2.980 . 4.260 2.060 1.692 2.691 0.008 6 0 "[ . 1 . 2 . 3]" 1
290 1 32 LEU HA 1 32 LEU HG 2.910 . 4.120 2.651 2.009 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 32 LEU HA 1 35 ILE H 3.260 . 4.820 3.952 3.617 4.355 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 32 LEU HA 1 35 ILE HB 2.760 . 3.820 2.518 2.078 3.364 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 32 LEU HA 1 35 ILE MD 2.830 . 3.960 2.432 1.898 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 32 LEU HA 1 35 ILE MG 3.750 . 5.790 3.393 2.916 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 32 LEU HB2 1 32 LEU QD 2.810 . 3.910 2.156 1.943 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 32 LEU HB2 1 33 GLY H 3.850 . 6.000 3.207 2.956 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 32 LEU HB2 1 48 ILE MG 2.600 . 3.500 2.918 2.787 2.967 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 32 LEU HB3 1 32 LEU QD 2.870 . 4.040 2.201 2.028 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 32 LEU HB3 1 32 LEU HG 2.670 . 3.630 2.668 2.400 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 32 LEU HB3 1 33 GLY H 3.330 . 4.950 2.797 1.960 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 32 LEU QD 1 35 ILE MG 3.850 . 6.000 3.274 2.415 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 32 LEU QD 1 52 MET ME 3.850 . 6.000 2.964 2.165 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 32 LEU QD 1 71 MET ME 3.590 . 5.480 3.190 2.646 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 33 GLY H 1 34 GLU H 3.370 . 5.040 3.197 2.735 4.020 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 33 GLY H 1 48 ILE MD 3.850 . 6.000 3.288 2.366 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 33 GLY H 1 48 ILE MG 3.040 . 4.380 3.093 2.633 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 33 GLY QA 1 34 GLU H 2.830 . 3.970 2.416 2.313 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 33 GLY QA 1 36 LEU H 3.530 . 5.360 3.734 3.394 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 33 GLY QA 1 36 LEU QD 3.850 . 6.000 3.446 2.250 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 33 GLY QA 1 48 ILE MD 2.600 . 3.500 1.869 1.726 2.138 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 33 GLY QA 1 48 ILE MG 2.950 . 4.200 2.997 2.663 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 34 GLU H 1 34 GLU HA 2.780 . 3.860 2.776 2.748 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 34 GLU H 1 34 GLU HB2 2.820 . 3.940 3.541 3.516 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 34 GLU H 1 34 GLU HB3 2.790 . 3.890 2.417 2.242 2.634 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 34 GLU H 1 34 GLU QG 3.160 . 4.620 2.041 1.819 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 34 GLU HA 1 37 ARG H 3.310 . 4.920 3.686 3.324 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 34 GLU HA 1 37 ARG QD 3.520 . 5.340 3.533 1.862 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 34 GLU HB2 1 35 ILE H 2.650 . 3.610 3.473 3.009 3.683 0.073 4 0 "[ . 1 . 2 . 3]" 1
319 1 34 GLU HB3 1 35 ILE H 2.730 . 3.760 3.794 3.693 3.869 0.109 19 0 "[ . 1 . 2 . 3]" 1
320 1 35 ILE H 1 35 ILE HA 2.650 . 3.590 2.798 2.750 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 35 ILE H 1 35 ILE HB 2.400 . 3.100 2.271 2.160 2.384 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 35 ILE H 1 35 ILE MD 3.330 . 4.960 3.420 2.200 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 35 ILE H 1 35 ILE QG 2.650 . 3.590 2.266 2.005 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 35 ILE H 1 35 ILE MG 3.520 . 5.330 3.683 3.641 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 35 ILE HA 1 35 ILE HB 2.710 . 3.710 3.018 2.998 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 35 ILE HA 1 35 ILE MD 3.100 . 4.500 3.741 3.530 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 35 ILE HA 1 35 ILE QG 2.870 . 4.040 2.260 2.122 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 35 ILE HA 1 35 ILE MG 2.940 . 4.170 2.529 2.390 2.651 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 35 ILE HA 1 36 LEU H 3.300 . 4.900 3.590 3.575 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 35 ILE HA 1 38 ALA H 3.050 . 4.400 3.948 3.704 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 35 ILE HA 1 38 ALA MB 2.750 . 3.810 2.936 2.611 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 35 ILE HB 1 35 ILE MD 2.680 . 3.660 2.284 2.027 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 35 ILE QG 1 35 ILE MG 3.170 . 4.630 2.276 1.964 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 35 ILE MG 1 36 LEU H 3.540 . 5.380 2.695 2.199 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 35 ILE MG 1 36 LEU HA 3.790 . 5.880 3.123 2.897 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 35 ILE MG 1 36 LEU QD 3.590 . 5.480 3.015 2.156 3.392 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 35 ILE MG 1 36 LEU HG 3.850 . 6.000 2.702 2.059 3.287 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 35 ILE MG 1 39 THR MG 3.850 . 6.000 3.911 3.311 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 36 LEU H 1 36 LEU HA 2.730 . 3.750 2.879 2.787 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 36 LEU H 1 36 LEU HB2 2.500 . 3.300 2.178 1.985 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 36 LEU H 1 36 LEU HB3 2.720 . 3.740 3.473 3.359 3.537 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 36 LEU H 1 36 LEU QD 3.730 . 5.760 3.018 1.816 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 36 LEU H 1 36 LEU HG 2.530 . 3.360 2.593 1.920 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 36 LEU H 1 37 ARG H 2.580 . 3.460 2.743 2.537 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 36 LEU HA 1 36 LEU HB2 2.710 . 3.710 3.009 2.945 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 36 LEU HA 1 36 LEU HB3 2.670 . 3.650 2.613 2.453 2.760 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 36 LEU HA 1 36 LEU QD 3.260 . 4.820 2.186 1.797 3.017 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 36 LEU HA 1 36 LEU HG 2.710 . 3.710 2.585 2.008 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 36 LEU HA 1 37 ARG H 3.230 . 4.760 3.584 3.559 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 36 LEU HA 1 39 THR H 3.080 . 4.460 3.689 3.475 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 36 LEU HA 1 39 THR MG 2.460 . 3.220 2.500 2.186 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 36 LEU HA 1 43 VAL QG 3.850 . 6.000 3.957 3.327 4.268 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 36 LEU HB2 1 37 ARG H 2.970 . 4.240 2.483 2.205 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 36 LEU HB3 1 36 LEU QD 3.080 . 4.460 2.039 1.890 2.134 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 36 LEU HB3 1 36 LEU HG 2.690 . 3.690 2.995 2.727 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 36 LEU HB3 1 37 ARG H 3.030 . 4.360 3.173 2.662 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 36 LEU HB3 1 43 VAL QG 3.150 . 4.590 2.116 1.756 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 36 LEU QD 1 48 ILE HA 3.460 . 5.220 3.383 2.841 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 37 ARG H 1 37 ARG HA 2.860 . 4.020 2.812 2.787 2.868 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 37 ARG H 1 37 ARG QB 3.370 . 5.040 2.155 1.922 2.580 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 37 ARG H 1 37 ARG QG 2.950 . 4.200 2.649 1.937 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 37 ARG H 1 38 ALA H 2.500 . 3.290 2.822 2.683 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 37 ARG H 1 38 ALA MB 3.830 . 5.960 4.299 4.104 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 37 ARG HA 1 37 ARG QD 3.470 . 5.240 3.695 2.702 4.470 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 37 ARG HA 1 37 ARG QG 2.810 . 3.920 2.171 1.911 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 37 ARG HA 1 38 ALA H 2.910 . 4.120 3.554 3.503 3.575 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 37 ARG HA 1 43 VAL QG 3.700 . 5.700 3.671 2.667 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 37 ARG QB 1 38 ALA H 3.060 . 4.420 2.670 2.481 3.509 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 37 ARG QG 1 43 VAL QG 3.850 . 6.000 3.705 3.199 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 38 ALA H 1 38 ALA HA 2.580 . 3.460 2.802 2.783 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 38 ALA H 1 38 ALA MB 2.400 . 3.110 2.042 1.916 2.163 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 38 ALA H 1 39 THR MG 3.520 . 5.340 3.954 3.636 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 38 ALA HA 1 38 ALA MB 2.420 . 3.150 2.137 2.114 2.156 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 38 ALA HA 1 39 THR H 3.080 . 4.460 3.558 3.474 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 38 ALA MB 1 39 THR H 3.020 . 4.340 2.538 2.067 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 38 ALA MB 1 39 THR HA 3.850 . 6.000 3.821 3.718 3.973 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 39 THR H 1 39 THR HA 2.950 . 4.200 2.869 2.812 2.949 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 39 THR H 1 39 THR MG 2.540 . 3.390 1.971 1.827 2.182 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 39 THR H 1 40 GLY H 3.450 . 5.200 2.932 2.474 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 39 THR HA 1 39 THR HB 2.650 . 3.600 2.434 2.387 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 39 THR HA 1 39 THR MG 2.740 . 3.780 2.492 2.274 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 39 THR HB 1 41 GLU H 3.330 . 4.960 4.289 3.461 4.962 0.002 16 0 "[ . 1 . 2 . 3]" 1
383 1 39 THR HB 1 41 GLU QG 3.230 . 4.760 3.756 2.722 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 40 GLY QA 1 41 GLU H 3.850 . 6.000 2.801 2.570 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 41 GLU H 1 41 GLU HA 2.930 . 4.160 2.954 2.776 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 41 GLU H 1 41 GLU HB2 3.040 . 4.380 2.277 2.017 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 41 GLU H 1 41 GLU HB3 3.330 . 4.950 3.505 3.244 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 41 GLU H 1 41 GLU QG 3.680 . 5.660 2.943 2.038 3.970 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 41 GLU HA 1 41 GLU HB2 2.770 . 3.840 2.992 2.892 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 41 GLU HA 1 41 GLU HB3 2.670 . 3.630 2.634 2.378 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 41 GLU HA 1 41 GLU QG 3.280 . 4.860 2.324 1.921 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 41 GLU HB2 1 43 VAL QG 3.140 . 4.580 2.741 2.181 3.376 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 41 GLU HB3 1 43 VAL QG 3.390 . 5.080 2.441 1.778 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 41 GLU QG 1 43 VAL QG 3.850 . 6.000 3.814 3.263 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 42 HIS HA 1 43 VAL H 2.540 . 3.370 2.583 2.221 3.494 0.124 9 0 "[ . 1 . 2 . 3]" 1
396 1 43 VAL H 1 43 VAL HB 3.210 . 4.720 2.585 2.314 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 43 VAL H 1 43 VAL QG 3.660 . 5.620 2.075 1.828 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 43 VAL HA 1 43 VAL HB 2.670 . 3.650 3.030 3.017 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 43 VAL HA 1 43 VAL QG 3.080 . 4.460 2.071 1.990 2.147 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 43 VAL HA 1 44 ILE H 2.650 . 3.600 2.313 2.210 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 43 VAL HB 1 44 ILE H 3.090 . 4.480 3.936 3.428 4.491 0.011 26 0 "[ . 1 . 2 . 3]" 1
402 1 43 VAL HB 1 48 ILE MD 2.670 . 3.640 2.889 2.417 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 43 VAL QG 1 44 ILE H 3.500 . 5.290 2.393 1.896 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 43 VAL QG 1 47 ASP H 3.850 . 6.000 3.869 3.444 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 43 VAL QG 1 47 ASP HB2 3.370 . 5.040 2.812 2.204 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 43 VAL QG 1 47 ASP HB3 2.970 . 4.240 2.386 1.833 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 43 VAL QG 1 48 ILE H 3.850 . 6.000 3.051 2.649 3.344 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 43 VAL QG 1 48 ILE QG 3.210 . 4.710 1.961 1.699 2.522 0.001 23 0 "[ . 1 . 2 . 3]" 1
409 1 44 ILE H 1 44 ILE HB 3.250 . 4.790 3.648 3.526 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 44 ILE H 1 44 ILE MD 3.220 . 4.740 3.598 3.268 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 44 ILE H 1 44 ILE QG 2.870 . 4.040 1.922 1.801 2.265 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 44 ILE H 1 44 ILE MG 2.810 . 3.920 2.540 1.858 3.100 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 44 ILE H 1 47 ASP H 3.230 . 4.760 3.790 3.311 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 44 ILE H 1 47 ASP HB2 3.170 . 4.640 2.851 2.073 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 44 ILE H 1 47 ASP HB3 3.850 . 6.000 3.827 3.005 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 44 ILE HA 1 45 GLU H 2.580 . 3.460 2.317 2.232 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 44 ILE HA 1 46 GLU H 3.130 . 4.560 4.405 4.058 4.580 0.020 5 0 "[ . 1 . 2 . 3]" 1
418 1 44 ILE HB 1 44 ILE MD 2.620 . 3.540 2.292 2.061 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 44 ILE HB 1 44 ILE MG 2.420 . 3.140 2.125 2.107 2.150 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 44 ILE HB 1 45 GLU H 2.660 . 3.620 2.957 2.734 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 44 ILE HB 1 46 GLU H 3.140 . 4.580 3.181 2.741 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 44 ILE MD 1 46 GLU H 3.270 . 4.840 3.459 2.897 3.912 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 44 ILE MD 1 46 GLU QB 3.330 . 4.960 2.066 1.659 2.537 0.031 12 0 "[ . 1 . 2 . 3]" 1
424 1 44 ILE MD 1 46 GLU QG 3.570 . 5.440 3.464 2.031 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 44 ILE MD 1 47 ASP H 3.350 . 5.000 3.493 3.070 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 44 ILE QG 1 44 ILE MG 2.660 . 3.620 2.215 1.987 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 44 ILE QG 1 46 GLU H 2.940 . 4.170 2.929 2.371 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 44 ILE QG 1 46 GLU QB 3.310 . 4.920 2.381 1.851 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 44 ILE QG 1 47 ASP H 2.530 . 3.360 2.063 1.843 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 44 ILE MG 1 45 GLU H 3.720 . 5.740 3.940 3.655 4.163 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 44 ILE MG 1 46 GLU H 3.730 . 5.760 4.669 4.359 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 44 ILE MG 1 47 ASP H 3.850 . 6.000 4.723 4.434 4.962 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 45 GLU H 1 45 GLU QB 3.000 . 4.300 2.154 1.942 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 45 GLU H 1 45 GLU QG 2.970 . 4.240 2.815 1.854 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 45 GLU H 1 46 GLU H 3.200 . 4.700 3.005 2.754 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 45 GLU HA 1 45 GLU QG 2.990 . 4.280 2.177 1.908 3.298 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 45 GLU HA 1 46 GLU H 3.430 . 5.160 3.581 3.541 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 45 GLU HA 1 48 ILE H 3.240 . 4.780 3.177 2.976 3.436 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 45 GLU HA 1 48 ILE HB 2.790 . 3.870 2.182 1.901 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 45 GLU HA 1 48 ILE MD 2.830 . 3.960 2.802 2.176 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 45 GLU HA 1 48 ILE QG 3.420 . 5.140 3.051 2.634 3.385 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 45 GLU QB 1 46 GLU H 3.170 . 4.640 2.493 2.285 3.248 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 45 GLU QG 1 48 ILE MD 3.850 . 6.000 3.373 2.864 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 46 GLU H 1 46 GLU HA 2.810 . 3.930 2.765 2.736 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 46 GLU H 1 46 GLU QB 2.870 . 4.040 2.071 1.927 2.457 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 46 GLU H 1 46 GLU QG 2.940 . 4.170 3.082 2.066 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 46 GLU H 1 47 ASP H 2.630 . 3.560 2.930 2.824 3.049 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 46 GLU HA 1 46 GLU QB 2.620 . 3.540 2.507 2.242 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 46 GLU HA 1 46 GLU QG 2.910 . 4.120 2.099 1.907 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 46 GLU HA 1 47 ASP H 3.080 . 4.460 3.549 3.514 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 46 GLU HA 1 49 GLU H 3.080 . 4.460 4.002 3.743 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 46 GLU HA 1 49 GLU QG 3.080 . 4.460 3.708 2.707 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 46 GLU HA 1 50 ASP H 3.300 . 4.900 4.538 3.961 4.910 0.010 6 0 "[ . 1 . 2 . 3]" 1
454 1 46 GLU QB 1 47 ASP H 3.010 . 4.320 2.716 2.515 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 47 ASP H 1 47 ASP HA 2.800 . 3.900 2.947 2.912 2.964 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 47 ASP H 1 47 ASP HB2 2.320 . 2.940 2.014 1.944 2.054 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 47 ASP H 1 47 ASP HB3 2.440 . 3.170 3.182 3.152 3.237 0.067 18 0 "[ . 1 . 2 . 3]" 1
458 1 47 ASP H 1 48 ILE H 2.270 . 2.830 2.424 2.330 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 47 ASP H 1 48 ILE QG 2.900 . 4.100 3.663 3.593 3.707 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 47 ASP H 1 49 GLU H 2.720 . 3.740 3.787 3.761 3.866 0.126 26 0 "[ . 1 . 2 . 3]" 1
461 1 47 ASP HA 1 47 ASP HB2 2.670 . 3.630 2.878 2.860 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 47 ASP HA 1 47 ASP HB3 2.760 . 3.820 2.850 2.810 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 47 ASP HA 1 48 ILE H 3.060 . 4.410 3.569 3.558 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 47 ASP HA 1 50 ASP H 3.060 . 4.410 3.612 3.296 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 47 ASP HA 1 50 ASP HB2 2.990 . 4.280 3.360 2.690 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 47 ASP HA 1 50 ASP HB3 2.750 . 3.790 3.525 2.934 3.818 0.028 15 0 "[ . 1 . 2 . 3]" 1
467 1 47 ASP HB2 1 48 ILE H 2.680 . 3.660 2.952 2.829 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 47 ASP HB3 1 48 ILE H 2.810 . 3.920 2.731 2.578 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 48 ILE H 1 48 ILE HA 2.670 . 3.650 2.848 2.814 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 48 ILE H 1 48 ILE HB 2.440 . 3.190 2.456 2.388 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 48 ILE H 1 48 ILE MD 2.950 . 4.200 3.499 3.362 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 48 ILE H 1 48 ILE QG 2.660 . 3.620 1.852 1.804 1.936 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 48 ILE H 1 48 ILE MG 3.080 . 4.460 3.689 3.677 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 48 ILE H 1 49 GLU H 2.480 . 3.250 2.693 2.585 2.784 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 48 ILE H 1 50 ASP H 3.410 . 5.120 4.377 4.129 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 48 ILE HA 1 48 ILE HB 2.770 . 3.850 3.034 3.031 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 48 ILE HA 1 48 ILE MD 3.060 . 4.420 3.722 3.682 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 48 ILE HA 1 48 ILE QG 2.890 . 4.080 2.364 2.330 2.409 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 48 ILE HA 1 48 ILE MG 2.590 . 3.480 2.321 2.244 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 48 ILE HA 1 49 GLU H 3.090 . 4.480 3.552 3.530 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 48 ILE HA 1 51 LEU H 2.960 . 4.220 3.647 3.251 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 48 ILE HA 1 51 LEU QB 3.310 . 4.910 2.952 2.187 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 48 ILE HA 1 51 LEU QD 3.850 . 6.000 2.763 1.844 3.905 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 48 ILE HB 1 48 ILE MD 2.560 . 3.420 2.444 2.350 2.508 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 48 ILE HB 1 48 ILE MG 2.420 . 3.140 2.131 2.108 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 48 ILE HB 1 49 GLU H 2.540 . 3.390 2.511 2.389 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 48 ILE MD 1 49 GLU H 3.850 . 6.000 4.542 4.471 4.609 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 48 ILE MG 1 49 GLU H 2.960 . 4.210 3.526 3.425 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 49 GLU H 1 49 GLU HA 2.790 . 3.890 2.837 2.778 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 49 GLU H 1 49 GLU QB 2.650 . 3.590 2.111 1.929 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 49 GLU H 1 49 GLU QG 2.920 . 4.140 2.791 1.874 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 49 GLU HA 1 49 GLU QG 2.870 . 4.040 2.259 1.958 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 49 GLU HA 1 50 ASP H 3.140 . 4.580 3.574 3.527 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 49 GLU HA 1 52 MET H 3.240 . 4.780 3.564 3.276 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 49 GLU HA 1 52 MET HB2 3.030 . 4.360 3.784 2.827 4.365 0.005 6 0 "[ . 1 . 2 . 3]" 1
496 1 49 GLU HA 1 52 MET HB3 2.920 . 4.140 2.984 2.585 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 49 GLU QB 1 50 ASP H 2.810 . 3.920 2.489 2.212 2.705 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 49 GLU QG 1 50 ASP H 3.350 . 5.000 4.089 3.001 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 50 ASP H 1 50 ASP HA 2.730 . 3.750 2.809 2.764 2.877 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 50 ASP H 1 50 ASP HB2 2.460 . 3.220 2.252 1.941 2.558 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 50 ASP H 1 50 ASP HB3 2.460 . 3.220 2.661 2.316 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 50 ASP H 1 51 LEU H 2.600 . 3.500 2.921 2.611 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 50 ASP H 1 51 LEU QB 3.850 . 6.000 4.494 4.158 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 50 ASP HA 1 50 ASP HB2 2.660 . 3.620 2.554 2.392 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 50 ASP HA 1 51 LEU H 3.150 . 4.590 3.583 3.551 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 50 ASP HA 1 54 ASP H 3.290 . 4.880 3.832 3.314 4.681 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 50 ASP HB2 1 51 LEU H 2.850 . 4.000 3.600 3.118 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 50 ASP HB3 1 51 LEU H 2.660 . 3.620 2.334 2.134 2.662 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 51 LEU H 1 51 LEU HA 2.810 . 3.910 2.808 2.774 2.853 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 51 LEU H 1 51 LEU QB 2.670 . 3.650 2.078 1.918 2.415 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 51 LEU H 1 51 LEU QD 3.700 . 5.700 2.560 1.942 3.631 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 51 LEU H 1 51 LEU HG 3.100 . 4.500 3.360 1.882 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 51 LEU H 1 52 MET H 2.560 . 3.410 2.892 2.722 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 51 LEU HA 1 51 LEU QD 2.920 . 4.140 2.413 1.741 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 51 LEU HA 1 51 LEU HG 2.980 . 4.250 2.461 1.957 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 51 LEU HA 1 52 MET H 3.330 . 4.960 3.575 3.522 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 51 LEU HA 1 54 ASP H 3.130 . 4.560 3.869 3.525 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 51 LEU HA 1 54 ASP HB3 3.060 . 4.410 3.243 2.540 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 51 LEU QB 1 51 LEU QD 2.710 . 3.730 1.850 1.712 2.055 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 51 LEU QB 1 52 MET H 3.290 . 4.880 2.555 2.249 3.525 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 51 LEU QB 1 63 ILE MD 3.140 . 4.580 3.352 3.152 3.432 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 52 MET H 1 52 MET HA 2.640 . 3.580 2.875 2.829 2.907 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 52 MET H 1 52 MET HB2 2.650 . 3.610 2.524 2.126 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 52 MET H 1 52 MET HB3 2.600 . 3.500 2.358 2.151 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 52 MET H 1 52 MET ME 3.850 . 6.000 3.921 3.329 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 52 MET H 1 52 MET QG 3.080 . 4.460 3.914 3.807 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 52 MET H 1 53 LYS HA 3.510 . 5.320 5.352 5.273 5.399 0.079 27 0 "[ . 1 . 2 . 3]" 1
528 1 52 MET HA 1 52 MET HB3 2.670 . 3.630 3.030 2.998 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 52 MET HA 1 52 MET ME 3.850 . 6.000 2.393 1.785 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 52 MET HA 1 52 MET QG 2.810 . 3.920 2.634 2.054 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 52 MET HA 1 55 SER H 3.250 . 4.800 3.549 3.258 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 52 MET HA 1 55 SER HB2 2.710 . 3.710 3.462 3.147 3.722 0.012 5 0 "[ . 1 . 2 . 3]" 1
533 1 52 MET HA 1 63 ILE MD 3.850 . 6.000 2.185 1.829 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 52 MET HB2 1 53 LYS H 2.920 . 4.130 3.793 3.423 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 52 MET HB3 1 52 MET ME 3.120 . 4.540 3.449 3.216 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 52 MET HB3 1 53 LYS H 2.770 . 3.840 2.418 2.099 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 52 MET ME 1 52 MET QG 3.020 . 4.330 2.278 2.050 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 52 MET ME 1 55 SER HB2 3.850 . 6.000 4.823 4.275 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 52 MET ME 1 62 ARG HA 3.410 . 5.120 2.568 1.909 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 52 MET ME 1 63 ILE H 3.650 . 5.600 2.563 1.921 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 52 MET ME 1 63 ILE HB 2.950 . 4.200 3.240 2.829 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 52 MET ME 1 63 ILE QG 3.800 . 5.900 2.341 1.840 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 53 LYS H 1 53 LYS HA 2.750 . 3.800 2.837 2.759 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 53 LYS H 1 53 LYS QB 2.850 . 4.000 2.067 1.925 2.339 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 53 LYS H 1 53 LYS QD 3.850 . 6.000 4.030 2.920 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 53 LYS H 1 53 LYS QG 3.310 . 4.920 3.267 1.994 4.003 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 53 LYS H 1 54 ASP H 3.020 . 4.340 2.833 2.552 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 53 LYS HA 1 53 LYS QB 2.660 . 3.620 2.483 2.342 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 53 LYS HA 1 53 LYS QD 3.290 . 4.880 3.256 1.934 4.087 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 53 LYS HA 1 53 LYS QG 2.870 . 4.040 2.243 1.929 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 53 LYS HA 1 54 ASP H 3.090 . 4.480 3.576 3.543 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 53 LYS HA 1 56 ASP H 3.230 . 4.760 4.006 3.288 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 53 LYS HA 1 56 ASP QB 2.750 . 3.790 2.902 2.243 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 53 LYS QB 1 53 LYS QE 3.850 . 6.000 3.112 1.884 3.706 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 53 LYS QB 1 54 ASP H 2.640 . 3.580 2.405 2.075 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 53 LYS QB 1 54 ASP HA 3.230 . 4.760 3.905 3.744 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 53 LYS QE 1 53 LYS QG 3.280 . 4.860 2.114 1.933 2.429 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 54 ASP H 1 54 ASP HA 2.790 . 3.890 2.861 2.795 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 54 ASP H 1 54 ASP HB2 2.380 . 3.070 2.231 1.934 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 54 ASP H 1 54 ASP HB3 2.450 . 3.200 2.693 2.303 3.154 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 54 ASP H 1 55 SER H 2.360 . 3.030 2.682 2.495 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 54 ASP HA 1 54 ASP HB2 2.650 . 3.600 2.601 2.413 2.844 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 54 ASP HA 1 54 ASP HB3 2.770 . 3.830 2.997 2.879 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 54 ASP HA 1 55 SER H 3.310 . 4.920 3.541 3.466 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 54 ASP HB2 1 55 SER H 2.900 . 4.090 3.716 3.245 4.044 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 54 ASP HB3 1 55 SER H 2.900 . 4.100 2.759 2.336 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 55 SER H 1 55 SER HA 2.960 . 4.210 2.939 2.835 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 55 SER H 1 55 SER HB2 2.220 . 2.740 2.244 2.098 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 55 SER H 1 55 SER HB3 2.270 . 2.840 2.776 2.587 2.876 0.036 26 0 "[ . 1 . 2 . 3]" 1
570 1 55 SER H 1 56 ASP H 2.780 . 3.860 2.624 2.219 2.900 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 55 SER HA 1 55 SER HB2 2.790 . 3.870 2.669 2.581 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 55 SER HA 1 55 SER HB3 2.670 . 3.630 2.991 2.962 3.024 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 55 SER HA 1 56 ASP H 3.210 . 4.720 3.582 3.546 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 55 SER HB2 1 56 ASP H 3.140 . 4.580 3.327 3.110 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 55 SER HB2 1 63 ILE MD 2.930 . 4.160 3.114 2.612 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 55 SER HB2 1 63 ILE QG 2.360 . 3.020 2.710 2.620 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 55 SER HB2 1 71 MET ME 3.520 . 5.340 2.773 1.971 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 55 SER HB3 1 63 ILE MD 3.120 . 4.540 2.922 2.585 3.085 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 55 SER HB3 1 63 ILE QG 2.330 . 2.950 1.816 1.769 1.945 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 55 SER HB3 1 63 ILE MG 3.580 . 5.460 3.536 3.267 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 55 SER HB3 1 71 MET ME 3.240 . 4.780 3.680 3.118 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 56 ASP H 1 56 ASP HA 2.820 . 3.940 2.780 2.726 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 56 ASP H 1 56 ASP QB 2.810 . 3.930 2.052 1.920 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 56 ASP H 1 57 LYS H 3.210 . 4.710 4.214 3.982 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 56 ASP HA 1 57 LYS H 2.790 . 3.870 2.338 2.219 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 56 ASP HA 1 58 ASN H 3.130 . 4.560 3.336 3.009 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 57 LYS H 1 57 LYS HA 2.850 . 4.000 2.938 2.885 2.983 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 57 LYS H 1 57 LYS QB 3.190 . 4.670 2.087 1.942 2.242 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 57 LYS H 1 57 LYS QD 3.680 . 5.660 4.168 3.167 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 57 LYS H 1 57 LYS QG 3.170 . 4.640 3.729 2.993 4.063 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 57 LYS H 1 67 GLU QB 2.790 . 3.880 3.429 3.196 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 57 LYS H 1 67 GLU QG 2.510 . 3.320 2.020 1.763 2.467 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 57 LYS HA 1 57 LYS QD 3.080 . 4.460 3.374 1.959 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 57 LYS HA 1 57 LYS QG 3.380 . 5.050 2.170 1.910 2.926 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 57 LYS HA 1 58 ASN H 3.210 . 4.720 3.388 2.781 3.576 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 57 LYS HA 1 59 ASN H 3.600 . 5.500 4.041 3.552 5.472 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 57 LYS QE 1 57 LYS QG 3.210 . 4.710 2.114 1.898 2.414 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 58 ASN H 1 58 ASN QB 2.830 . 3.970 2.680 2.263 3.070 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 58 ASN H 1 59 ASN H 2.400 . 3.110 2.248 1.860 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 58 ASN H 1 59 ASN HA 3.480 . 5.260 4.404 4.066 4.861 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 58 ASN HA 1 59 ASN H 3.160 . 4.620 3.208 3.028 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 59 ASN H 1 59 ASN HA 2.590 . 3.480 2.378 2.354 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 59 ASN H 1 59 ASN HB2 2.730 . 3.750 3.263 2.924 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 59 ASN H 1 59 ASN HB3 2.840 . 3.980 3.991 3.758 4.038 0.058 7 0 "[ . 1 . 2 . 3]" 1
605 1 59 ASN H 1 60 ASP H 2.610 . 3.520 2.953 2.301 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 59 ASN HA 1 59 ASN HB2 2.830 . 3.960 2.966 2.855 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 59 ASN HA 1 59 ASN HB3 2.720 . 3.740 2.633 2.380 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 59 ASN HA 1 60 ASP H 2.990 . 4.280 2.814 2.354 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 59 ASN HA 1 61 GLY H 3.250 . 4.800 3.203 3.017 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 59 ASN HB2 1 60 ASP H 3.230 . 4.760 4.235 2.912 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 59 ASN HB3 1 60 ASP H 3.100 . 4.500 4.235 2.778 4.537 0.037 27 0 "[ . 1 . 2 . 3]" 1
612 1 59 ASN HB3 1 61 GLY H 3.210 . 4.710 4.690 4.490 4.747 0.037 15 0 "[ . 1 . 2 . 3]" 1
613 1 60 ASP H 1 60 ASP QB 2.770 . 3.830 2.624 1.968 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 60 ASP H 1 61 GLY H 2.820 . 3.940 2.401 1.881 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 61 GLY H 1 62 ARG H 3.180 . 4.660 2.669 2.250 2.963 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 61 GLY QA 1 62 ARG H 3.120 . 4.540 2.851 2.632 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 62 ARG H 1 62 ARG HA 2.900 . 4.100 2.958 2.945 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 62 ARG H 1 62 ARG HB2 3.420 . 5.140 2.737 2.483 2.923 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 62 ARG H 1 62 ARG HB3 3.640 . 5.580 3.760 3.518 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 62 ARG H 1 62 ARG QG 3.590 . 5.480 3.435 2.690 3.952 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 62 ARG HA 1 62 ARG HB2 2.810 . 3.910 2.990 2.883 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 62 ARG HA 1 62 ARG HB3 2.670 . 3.630 2.634 2.392 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 62 ARG HA 1 62 ARG QG 3.080 . 4.460 2.213 2.070 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 62 ARG HA 1 63 ILE H 2.620 . 3.540 2.267 2.209 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 62 ARG HB2 1 62 ARG QD 2.910 . 4.120 2.511 2.052 3.142 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 62 ARG HB2 1 63 ILE H 3.620 . 5.540 4.265 3.535 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 62 ARG HB3 1 62 ARG QD 2.820 . 3.940 2.331 2.058 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 62 ARG HB3 1 63 ILE H 3.610 . 5.520 3.292 2.290 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 63 ILE H 1 63 ILE HB 2.960 . 4.220 2.153 2.044 2.258 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 63 ILE H 1 63 ILE MD 3.850 . 6.000 3.076 2.634 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 63 ILE H 1 63 ILE QG 3.370 . 5.040 2.866 2.528 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 63 ILE H 1 63 ILE MG 3.850 . 6.000 3.615 3.503 3.687 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 63 ILE HA 1 63 ILE HB 2.720 . 3.740 3.016 2.985 3.032 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 63 ILE HA 1 63 ILE MD 3.560 . 5.420 3.724 3.518 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 63 ILE HA 1 63 ILE QG 2.720 . 3.740 2.240 2.095 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 63 ILE HA 1 63 ILE MG 3.030 . 4.360 2.552 2.419 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 63 ILE HA 1 64 ASP H 2.270 . 2.840 2.243 2.208 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 63 ILE HA 1 67 GLU QB 2.690 . 3.690 2.725 2.306 3.061 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 63 ILE HB 1 63 ILE MD 2.790 . 3.870 2.088 1.908 2.234 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 63 ILE HB 1 63 ILE MG 2.490 . 3.280 2.135 2.108 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 63 ILE MD 1 63 ILE MG 3.290 . 4.870 2.418 2.093 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 63 ILE QG 1 63 ILE MG 3.100 . 4.500 2.083 1.880 2.195 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 63 ILE QG 1 67 GLU QB 2.830 . 3.950 3.116 2.919 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 63 ILE MG 1 64 ASP H 3.180 . 4.660 2.727 1.806 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 63 ILE MG 1 67 GLU H 3.850 . 6.000 4.364 3.979 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 63 ILE MG 1 67 GLU QB 3.120 . 4.540 2.521 2.156 2.883 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 63 ILE MG 1 68 PHE H 3.090 . 4.480 2.561 2.062 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 63 ILE MG 1 68 PHE HA 3.420 . 5.140 2.348 1.855 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 63 ILE MG 1 68 PHE QB 3.640 . 5.580 2.202 1.770 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 64 ASP H 1 64 ASP HA 2.900 . 4.100 2.985 2.956 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 64 ASP H 1 64 ASP HB2 3.390 . 5.080 3.654 3.577 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 64 ASP H 1 64 ASP HB3 2.900 . 4.090 2.789 2.450 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 64 ASP H 1 67 GLU H 2.960 . 4.210 3.452 3.138 3.730 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 64 ASP H 1 67 GLU QB 2.610 . 3.520 1.992 1.831 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 64 ASP HA 1 64 ASP HB2 2.670 . 3.640 2.459 2.360 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 64 ASP HA 1 64 ASP HB3 2.690 . 3.690 2.494 2.409 2.610 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 64 ASP HA 1 65 PHE H 2.670 . 3.630 2.741 2.578 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 64 ASP HB2 1 65 PHE H 2.560 . 3.420 2.134 1.936 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 64 ASP HB2 1 66 ASP H 3.290 . 4.880 3.630 3.052 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 64 ASP HB3 1 65 PHE H 2.700 . 3.700 3.618 3.392 3.724 0.024 10 0 "[ . 1 . 2 . 3]" 1
661 1 65 PHE H 1 65 PHE HA 2.760 . 3.820 2.848 2.759 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 65 PHE H 1 65 PHE QB 2.530 . 3.360 2.160 1.911 2.495 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 65 PHE H 1 66 ASP H 2.580 . 3.460 2.850 2.450 3.150 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 65 PHE HA 1 66 ASP H 3.410 . 5.120 3.581 3.518 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 65 PHE HA 1 68 PHE H 2.880 . 4.060 3.895 3.641 4.076 0.016 20 0 "[ . 1 . 2 . 3]" 1
666 1 65 PHE HA 1 68 PHE QB 2.890 . 4.080 2.651 2.301 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 65 PHE QB 1 66 ASP H 2.910 . 4.120 2.518 1.980 3.502 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 65 PHE QB 1 66 ASP HA 3.550 . 5.400 4.018 3.722 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 66 ASP H 1 66 ASP HA 2.770 . 3.850 2.840 2.787 2.919 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 66 ASP H 1 66 ASP HB2 2.460 . 3.210 1.962 1.930 2.031 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 66 ASP H 1 66 ASP HB3 2.550 . 3.400 3.287 3.160 3.406 0.006 9 0 "[ . 1 . 2 . 3]" 1
672 1 66 ASP H 1 67 GLU H 2.410 . 3.120 2.934 2.551 3.136 0.016 27 0 "[ . 1 . 2 . 3]" 1
673 1 66 ASP H 1 68 PHE H 3.450 . 5.200 4.229 3.999 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 66 ASP HA 1 66 ASP HB2 2.730 . 3.750 2.896 2.856 2.953 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 66 ASP HA 1 66 ASP HB3 2.650 . 3.600 2.821 2.746 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 66 ASP HA 1 67 GLU H 3.540 . 5.380 3.590 3.579 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 66 ASP HA 1 69 LEU H 3.210 . 4.710 3.979 3.670 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 66 ASP HA 1 69 LEU HB2 3.100 . 4.500 3.261 2.776 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 66 ASP HA 1 69 LEU HB3 3.470 . 5.240 4.787 4.261 5.240 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 66 ASP HA 1 69 LEU QD 3.100 . 4.500 2.643 1.946 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 66 ASP HA 1 69 LEU HG 3.310 . 4.920 4.327 3.382 4.952 0.032 27 0 "[ . 1 . 2 . 3]" 1
682 1 66 ASP HB2 1 67 GLU H 2.970 . 4.240 2.786 2.507 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 66 ASP HB3 1 67 GLU H 2.960 . 4.210 2.530 2.331 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 66 ASP HB3 1 67 GLU QB 3.420 . 5.130 4.520 4.315 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 67 GLU H 1 67 GLU HA 2.640 . 3.580 2.836 2.775 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 67 GLU H 1 67 GLU QB 2.690 . 3.690 2.380 2.247 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 67 GLU H 1 67 GLU QG 2.310 . 2.930 1.953 1.844 2.264 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 67 GLU H 1 68 PHE H 2.600 . 3.500 2.829 2.627 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 67 GLU H 1 68 PHE QB 3.850 . 6.000 4.407 4.169 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 67 GLU HA 1 67 GLU QG 2.270 . 2.830 2.406 2.245 2.466 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 67 GLU HA 1 68 PHE H 3.060 . 4.420 3.578 3.543 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 67 GLU HA 1 70 LYS H 2.850 . 4.000 3.674 3.178 4.011 0.011 4 0 "[ . 1 . 2 . 3]" 1
693 1 67 GLU QB 1 68 PHE H 2.930 . 4.160 2.409 2.107 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 68 PHE H 1 68 PHE HA 2.890 . 4.080 2.809 2.744 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 68 PHE H 1 68 PHE QB 2.690 . 3.690 2.135 1.958 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 68 PHE H 1 69 LEU H 2.650 . 3.600 2.990 2.755 3.216 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 68 PHE HA 1 69 LEU H 3.570 . 5.440 3.584 3.539 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 68 PHE HA 1 71 MET H 3.250 . 4.790 3.675 3.117 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 68 PHE HA 1 71 MET QB 2.920 . 4.140 2.903 1.997 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 68 PHE HA 1 71 MET QG 2.580 . 3.460 2.783 1.804 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 68 PHE QB 1 69 LEU H 2.820 . 3.940 2.235 1.907 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 69 LEU H 1 69 LEU HA 2.770 . 3.830 2.808 2.740 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 69 LEU H 1 69 LEU HB2 2.650 . 3.590 2.343 2.115 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 69 LEU H 1 69 LEU HB3 2.790 . 3.890 3.526 3.462 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 69 LEU H 1 69 LEU QD 3.010 . 4.320 2.962 2.733 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 69 LEU H 1 69 LEU HG 2.580 . 3.460 2.167 1.879 2.679 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 69 LEU H 1 70 LYS H 2.640 . 3.580 2.949 2.568 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 69 LEU HA 1 69 LEU HB2 2.850 . 4.000 3.025 2.993 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 69 LEU HA 1 69 LEU HB3 2.690 . 3.690 2.559 2.474 2.674 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 69 LEU HA 1 69 LEU QD 2.790 . 3.880 2.136 1.867 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 69 LEU HA 1 69 LEU HG 3.060 . 4.410 2.707 2.296 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 69 LEU HA 1 70 LYS H 3.120 . 4.540 3.583 3.531 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 69 LEU HA 1 72 MET H 2.890 . 4.080 3.718 3.380 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 69 LEU HB2 1 69 LEU QD 2.700 . 3.700 2.157 1.934 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 69 LEU HB2 1 69 LEU HG 2.710 . 3.730 2.574 2.428 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 69 LEU HB2 1 70 LYS H 2.750 . 3.800 2.378 2.052 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 69 LEU HB3 1 69 LEU QD 2.570 . 3.440 2.055 1.971 2.118 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 69 LEU HB3 1 69 LEU HG 2.660 . 3.620 3.013 2.961 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 69 LEU HB3 1 70 LYS H 2.880 . 4.050 3.246 2.756 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 69 LEU QD 1 70 LYS H 3.850 . 6.000 3.871 3.646 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 69 LEU HG 1 70 LYS H 3.190 . 4.680 4.364 4.052 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 70 LYS H 1 70 LYS HA 2.650 . 3.610 2.830 2.774 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 70 LYS H 1 70 LYS QB 2.760 . 3.820 2.041 1.920 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 70 LYS H 1 70 LYS QG 3.210 . 4.710 3.373 1.854 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 70 LYS H 1 71 MET H 2.510 . 3.320 2.840 2.458 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 70 LYS HA 1 70 LYS QD 3.230 . 4.760 3.141 1.893 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 70 LYS HA 1 70 LYS QE 3.770 . 5.830 4.066 2.424 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 70 LYS HA 1 70 LYS QG 3.100 . 4.500 2.191 1.948 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 70 LYS HA 1 71 MET H 3.140 . 4.580 3.570 3.498 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 70 LYS QB 1 70 LYS QE 3.850 . 6.000 3.277 2.026 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 70 LYS QB 1 71 MET H 2.750 . 3.790 2.491 2.095 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 70 LYS QB 1 73 GLU H 3.850 . 6.000 4.947 4.488 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 70 LYS QE 1 70 LYS QG 3.230 . 4.760 2.115 1.904 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 71 MET H 1 71 MET HA 2.810 . 3.920 2.830 2.758 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 71 MET H 1 71 MET QB 2.490 . 3.280 2.005 1.893 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 71 MET H 1 71 MET QG 2.600 . 3.500 2.973 1.883 3.169 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 71 MET H 1 72 MET H 2.380 . 3.050 2.825 2.561 3.062 0.012 8 0 "[ . 1 . 2 . 3]" 1
738 1 71 MET H 1 73 GLU H 3.850 . 6.000 4.239 3.719 5.122 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 71 MET HA 1 71 MET QG 2.930 . 4.160 3.238 3.117 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 71 MET HA 1 72 MET H 2.980 . 4.250 3.570 3.537 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 71 MET HA 1 73 GLU H 3.700 . 5.700 4.042 3.562 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 71 MET QB 1 71 MET ME 3.120 . 4.540 2.143 1.785 2.981 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 71 MET QB 1 72 MET H 2.560 . 3.430 3.102 3.066 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 71 MET ME 1 71 MET QG 2.830 . 3.960 2.236 1.880 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 71 MET QG 1 72 MET H 2.360 . 3.020 1.910 1.793 2.141 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 71 MET QG 1 72 MET ME 3.590 . 5.480 3.436 2.391 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 72 MET H 1 72 MET HA 2.890 . 4.080 2.928 2.734 3.001 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 72 MET H 1 72 MET QB 2.140 . 2.580 2.126 1.929 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 72 MET HA 1 72 MET QB 2.670 . 3.640 2.472 2.184 2.551 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 72 MET HA 1 73 GLU H 2.960 . 4.220 3.158 2.600 3.574 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 72 MET HA 1 75 VAL QG 3.230 . 4.750 2.672 1.837 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 72 MET QB 1 73 GLU H 3.850 . 6.000 3.450 2.556 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 72 MET QB 1 75 VAL QG 3.850 . 6.000 3.486 1.634 3.976 0.066 11 0 "[ . 1 . 2 . 3]" 1
754 1 73 GLU H 1 73 GLU QB 2.870 . 4.040 2.213 1.970 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 73 GLU H 1 73 GLU QG 3.380 . 5.060 3.629 2.512 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 73 GLU H 1 75 VAL H 3.850 . 6.000 4.609 3.410 6.014 0.014 9 0 "[ . 1 . 2 . 3]" 1
757 1 73 GLU HA 1 73 GLU QG 2.860 . 4.020 2.300 1.984 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 73 GLU HA 1 74 GLY H 2.840 . 3.980 2.682 2.210 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 73 GLU HA 1 75 VAL H 3.160 . 4.620 4.082 3.292 4.648 0.028 26 0 "[ . 1 . 2 . 3]" 1
760 1 73 GLU QG 1 74 GLY H 3.850 . 6.000 3.730 2.025 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 74 GLY H 1 75 VAL H 3.640 . 5.580 2.649 1.861 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 74 GLY QA 1 75 VAL H 2.750 . 3.790 2.750 2.514 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 75 VAL H 1 75 VAL HA 2.600 . 3.500 2.889 2.770 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 75 VAL H 1 75 VAL HB 2.310 . 2.930 2.480 2.238 2.961 0.031 20 0 "[ . 1 . 2 . 3]" 1
765 1 75 VAL H 1 75 VAL QG 3.310 . 4.920 2.143 1.829 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 75 VAL HA 1 75 VAL HB 2.690 . 3.670 2.780 2.409 3.037 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 75 VAL HA 1 75 VAL QG 2.920 . 4.140 2.152 1.992 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 75 VAL HA 1 76 GLN H 2.250 . 2.810 2.294 2.198 2.563 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 75 VAL HB 1 76 GLN H 3.050 . 4.400 4.143 3.593 4.440 0.040 6 0 "[ . 1 . 2 . 3]" 1
770 1 75 VAL QG 1 76 GLN H 3.330 . 4.960 2.374 1.804 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 75 VAL QG 1 76 GLN HA 3.850 . 6.000 3.699 3.154 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 75 VAL QG 1 76 GLN QG 3.850 . 6.000 3.466 1.837 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 76 GLN H 1 76 GLN HA 2.710 . 3.730 2.722 2.362 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 76 GLN H 1 76 GLN HB2 2.690 . 3.690 2.778 2.207 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 76 GLN H 1 76 GLN HB3 2.980 . 4.260 3.776 3.502 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 76 GLN H 1 76 GLN QG 3.150 . 4.600 2.855 1.869 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 76 GLN HA 1 76 GLN HB2 2.750 . 3.810 2.987 2.858 3.038 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 76 GLN HA 1 76 GLN HB3 2.650 . 3.600 2.615 2.370 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 76 GLN HA 1 76 GLN QG 3.020 . 4.340 2.337 1.910 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 76 GLN HB3 1 76 GLN QG 2.340 . 2.980 2.397 2.173 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
Contact the webmaster for help, if required. Saturday, June 1, 2024 3:29:44 PM GMT (wattos1)