NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393511 |
1qnd   |
4438 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qnd
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 977
_Distance_constraint_stats_list.Viol_count 1843
_Distance_constraint_stats_list.Viol_total 2315.971
_Distance_constraint_stats_list.Viol_max 0.107
_Distance_constraint_stats_list.Viol_rms 0.0197
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0628
_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 SER 1.588 0.089 14 0 "[ . 1 . 2]"
1 5 ASP 5.380 0.099 18 0 "[ . 1 . 2]"
1 6 GLY 1.564 0.088 19 0 "[ . 1 . 2]"
1 7 PHE 2.630 0.088 19 0 "[ . 1 . 2]"
1 8 LYS 0.331 0.078 18 0 "[ . 1 . 2]"
1 9 ALA 0.019 0.019 11 0 "[ . 1 . 2]"
1 10 ASN 3.175 0.096 14 0 "[ . 1 . 2]"
1 11 LEU 2.950 0.089 3 0 "[ . 1 . 2]"
1 12 VAL 1.776 0.085 13 0 "[ . 1 . 2]"
1 13 PHE 0.061 0.060 2 0 "[ . 1 . 2]"
1 14 LYS 1.986 0.104 16 0 "[ . 1 . 2]"
1 15 GLU 3.295 0.104 16 0 "[ . 1 . 2]"
1 16 ILE 1.103 0.082 4 0 "[ . 1 . 2]"
1 17 GLU 0.605 0.068 10 0 "[ . 1 . 2]"
1 18 LYS 2.665 0.088 12 0 "[ . 1 . 2]"
1 19 LYS 1.385 0.082 4 0 "[ . 1 . 2]"
1 20 LEU 2.010 0.085 16 0 "[ . 1 . 2]"
1 21 GLU 3.771 0.095 14 0 "[ . 1 . 2]"
1 22 GLU 4.839 0.091 1 0 "[ . 1 . 2]"
1 23 GLU 4.210 0.087 18 0 "[ . 1 . 2]"
1 24 GLY 1.116 0.076 5 0 "[ . 1 . 2]"
1 25 GLU 2.379 0.093 9 0 "[ . 1 . 2]"
1 26 GLN 3.625 0.095 18 0 "[ . 1 . 2]"
1 27 PHE 2.126 0.082 19 0 "[ . 1 . 2]"
1 28 VAL 2.136 0.093 9 0 "[ . 1 . 2]"
1 29 LYS 0.672 0.089 18 0 "[ . 1 . 2]"
1 30 LYS 3.450 0.088 3 0 "[ . 1 . 2]"
1 31 ILE 0.566 0.072 8 0 "[ . 1 . 2]"
1 32 GLY 1.139 0.079 10 0 "[ . 1 . 2]"
1 33 GLY 2.044 0.094 12 0 "[ . 1 . 2]"
1 34 ILE 0.017 0.017 3 0 "[ . 1 . 2]"
1 35 PHE 1.411 0.084 2 0 "[ . 1 . 2]"
1 36 ALA 0.059 0.059 16 0 "[ . 1 . 2]"
1 37 PHE 0.110 0.061 13 0 "[ . 1 . 2]"
1 38 LYS 2.168 0.100 9 0 "[ . 1 . 2]"
1 39 VAL 2.133 0.107 3 0 "[ . 1 . 2]"
1 40 LYS 2.666 0.090 4 0 "[ . 1 . 2]"
1 41 ASP 5.007 0.088 14 0 "[ . 1 . 2]"
1 42 GLY 0.373 0.073 5 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 3.375 0.097 6 0 "[ . 1 . 2]"
1 46 LYS 3.228 0.097 6 0 "[ . 1 . 2]"
1 47 GLU 2.614 0.091 17 0 "[ . 1 . 2]"
1 48 ALA 3.218 0.099 18 0 "[ . 1 . 2]"
1 49 THR 2.483 0.100 9 0 "[ . 1 . 2]"
1 50 TRP 1.686 0.083 2 0 "[ . 1 . 2]"
1 51 VAL 0.099 0.040 18 0 "[ . 1 . 2]"
1 52 VAL 1.521 0.084 2 0 "[ . 1 . 2]"
1 53 ASP 1.538 0.101 4 0 "[ . 1 . 2]"
1 54 VAL 1.061 0.087 18 0 "[ . 1 . 2]"
1 55 LYS 0.348 0.067 17 0 "[ . 1 . 2]"
1 56 ASN 5.518 0.094 12 0 "[ . 1 . 2]"
1 57 GLY 2.766 0.096 1 0 "[ . 1 . 2]"
1 58 LYS 3.592 0.091 18 0 "[ . 1 . 2]"
1 59 GLY 3.897 0.096 1 0 "[ . 1 . 2]"
1 60 SER 7.427 0.104 14 0 "[ . 1 . 2]"
1 61 VAL 0.538 0.079 7 0 "[ . 1 . 2]"
1 62 LEU 0.040 0.040 18 0 "[ . 1 . 2]"
1 63 PRO 0.459 0.078 8 0 "[ . 1 . 2]"
1 64 ASN 2.827 0.084 19 0 "[ . 1 . 2]"
1 65 SER 1.069 0.083 18 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LYS 0.476 0.083 18 0 "[ . 1 . 2]"
1 68 LYS 3.216 0.086 12 0 "[ . 1 . 2]"
1 69 ALA 3.051 0.086 12 0 "[ . 1 . 2]"
1 70 ASP 1.101 0.096 4 0 "[ . 1 . 2]"
1 71 CYS 1.039 0.075 4 0 "[ . 1 . 2]"
1 72 THR 1.985 0.086 1 0 "[ . 1 . 2]"
1 73 ILE 0.600 0.081 3 0 "[ . 1 . 2]"
1 74 THR 5.689 0.098 8 0 "[ . 1 . 2]"
1 75 MET 1.671 0.107 3 0 "[ . 1 . 2]"
1 76 ALA 0.828 0.098 8 0 "[ . 1 . 2]"
1 77 ASP 2.001 0.096 4 0 "[ . 1 . 2]"
1 78 SER 5.067 0.096 4 0 "[ . 1 . 2]"
1 79 ASP 1.897 0.091 4 0 "[ . 1 . 2]"
1 80 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LEU 2.608 0.089 7 0 "[ . 1 . 2]"
1 82 ALA 1.487 0.089 7 0 "[ . 1 . 2]"
1 83 LEU 0.306 0.082 14 0 "[ . 1 . 2]"
1 84 MET 1.336 0.082 14 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.603 0.079 6 0 "[ . 1 . 2]"
1 87 LYS 0.652 0.080 8 0 "[ . 1 . 2]"
1 88 MET 1.059 0.082 7 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ALA 2.724 0.096 13 0 "[ . 1 . 2]"
1 94 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLN 2.381 0.092 9 0 "[ . 1 . 2]"
1 97 GLY 0.080 0.066 3 0 "[ . 1 . 2]"
1 98 LYS 1.829 0.087 2 0 "[ . 1 . 2]"
1 99 LEU 0.588 0.085 5 0 "[ . 1 . 2]"
1 100 LYS 6.046 0.096 13 0 "[ . 1 . 2]"
1 101 ILE 1.928 0.097 10 0 "[ . 1 . 2]"
1 102 THR 1.890 0.086 1 0 "[ . 1 . 2]"
1 103 GLY 0.256 0.073 18 0 "[ . 1 . 2]"
1 104 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 LEU 0.546 0.082 8 0 "[ . 1 . 2]"
1 108 ALA 0.122 0.080 3 0 "[ . 1 . 2]"
1 109 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 LYS 0.457 0.086 3 0 "[ . 1 . 2]"
1 111 LEU 0.048 0.029 5 0 "[ . 1 . 2]"
1 113 ASN 2.410 0.094 13 0 "[ . 1 . 2]"
1 114 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLN 0.945 0.087 9 0 "[ . 1 . 2]"
1 116 LEU 4.495 0.095 19 0 "[ . 1 . 2]"
1 117 GLN 3.830 0.100 13 0 "[ . 1 . 2]"
1 118 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 122 LYS 0.106 0.059 4 0 "[ . 1 . 2]"
1 123 LEU 0.032 0.032 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 SER H 1 4 SER HB2 . . 3.700 2.936 2.392 3.784 0.084 4 0 "[ . 1 . 2]" 1
2 1 4 SER H 1 4 SER QB . . 3.530 2.694 2.284 3.132 . 0 0 "[ . 1 . 2]" 1
3 1 4 SER H 1 4 SER HB3 . . 3.700 3.432 2.633 3.789 0.089 14 0 "[ . 1 . 2]" 1
4 1 4 SER H 1 5 ASP H . . 4.070 2.882 1.773 4.144 0.074 7 0 "[ . 1 . 2]" 1
5 1 4 SER HA 1 5 ASP H . . 3.520 3.386 2.859 3.595 0.075 13 0 "[ . 1 . 2]" 1
6 1 4 SER QB 1 5 ASP H . . 3.990 2.360 1.820 3.607 . 0 0 "[ . 1 . 2]" 1
7 1 5 ASP H 1 5 ASP QB . . 3.830 3.079 2.362 3.467 . 0 0 "[ . 1 . 2]" 1
8 1 5 ASP H 1 6 GLY H . . 4.010 3.033 2.560 3.393 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 48 ALA HA . . 2.740 2.821 2.777 2.839 0.099 18 0 "[ . 1 . 2]" 1
10 1 5 ASP HA 1 6 GLY H . . 2.930 2.903 2.430 3.015 0.085 18 0 "[ . 1 . 2]" 1
11 1 5 ASP HA 1 7 PHE H . . 4.660 4.090 3.314 4.727 0.067 12 0 "[ . 1 . 2]" 1
12 1 5 ASP HA 1 10 ASN HD21 . . 4.260 3.850 3.088 4.328 0.068 2 0 "[ . 1 . 2]" 1
13 1 5 ASP HA 1 10 ASN HD22 . . 4.450 4.507 4.004 4.546 0.096 14 0 "[ . 1 . 2]" 1
14 1 6 GLY H 1 7 PHE H . . 3.450 2.949 1.781 3.538 0.088 19 0 "[ . 1 . 2]" 1
15 1 6 GLY H 1 7 PHE QD . . 7.620 2.836 1.875 3.805 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE H 1 7 PHE QE . . 6.750 4.771 4.126 5.600 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE H 1 10 ASN H . . 4.940 3.962 3.403 4.993 0.053 6 0 "[ . 1 . 2]" 1
18 1 7 PHE H 1 50 TRP HH2 . . 5.500 3.837 3.102 4.627 . 0 0 "[ . 1 . 2]" 1
19 1 7 PHE HA 1 8 LYS H . . 2.620 2.496 2.206 2.698 0.078 18 0 "[ . 1 . 2]" 1
20 1 7 PHE HA 1 43 PRO QD . . 4.640 3.343 2.256 4.050 . 0 0 "[ . 1 . 2]" 1
21 1 7 PHE QB 1 9 ALA H . . 4.110 2.279 1.912 2.648 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE QB 1 9 ALA MB . . 6.230 2.312 2.098 2.796 . 0 0 "[ . 1 . 2]" 1
23 1 7 PHE QB 1 10 ASN H . . 4.330 3.292 2.847 3.835 . 0 0 "[ . 1 . 2]" 1
24 1 7 PHE QB 1 10 ASN HD21 . . 6.380 4.997 4.209 5.571 . 0 0 "[ . 1 . 2]" 1
25 1 7 PHE QB 1 50 TRP HH2 . . 6.100 4.070 3.011 4.968 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE QD 1 9 ALA H . . 7.620 4.135 3.495 4.802 . 0 0 "[ . 1 . 2]" 1
27 1 7 PHE QD 1 39 VAL MG1 . . 7.070 3.344 2.068 5.171 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE QD 1 50 TRP HH2 . . 6.010 4.515 3.510 5.315 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE QD 1 50 TRP HZ3 . . 6.720 3.953 3.228 4.798 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE QE 1 42 GLY H . . 6.600 3.474 2.428 4.837 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE QE 1 47 GLU H . . 7.620 3.987 2.766 4.875 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE QE 1 47 GLU HA . . 5.390 3.292 2.204 3.772 . 0 0 "[ . 1 . 2]" 1
33 1 7 PHE QE 1 48 ALA H . . 5.980 3.378 2.568 4.086 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE QE 1 50 TRP HH2 . . 6.940 5.963 5.395 6.230 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE QE 1 50 TRP HZ3 . . 7.220 4.770 4.204 5.313 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE HZ 1 47 GLU H . . 4.420 3.116 2.354 4.291 . 0 0 "[ . 1 . 2]" 1
37 1 7 PHE HZ 1 47 GLU HA . . 2.990 2.816 2.074 3.069 0.079 2 0 "[ . 1 . 2]" 1
38 1 7 PHE HZ 1 48 ALA H . . 3.760 3.614 3.006 3.843 0.083 12 0 "[ . 1 . 2]" 1
39 1 8 LYS H 1 9 ALA H . . 2.930 2.579 2.212 2.949 0.019 11 0 "[ . 1 . 2]" 1
40 1 8 LYS H 1 10 ASN H . . 4.850 4.292 4.105 4.570 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS H 1 43 PRO QG . . 4.120 2.404 1.971 2.799 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS HA 1 10 ASN H . . 4.660 3.312 3.011 3.805 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS HA 1 11 LEU MD1 . . 5.540 4.229 3.629 4.649 . 0 0 "[ . 1 . 2]" 1
44 1 8 LYS HA 1 43 PRO QG . . 5.390 4.696 4.269 4.871 . 0 0 "[ . 1 . 2]" 1
45 1 8 LYS QB 1 9 ALA H . . 5.540 3.117 2.721 3.641 . 0 0 "[ . 1 . 2]" 1
46 1 8 LYS QB 1 10 ASN H . . 6.380 4.602 4.451 4.743 . 0 0 "[ . 1 . 2]" 1
47 1 9 ALA H 1 9 ALA MB . . 3.490 2.193 2.131 2.254 . 0 0 "[ . 1 . 2]" 1
48 1 9 ALA H 1 10 ASN H . . 3.420 2.948 2.698 3.118 . 0 0 "[ . 1 . 2]" 1
49 1 9 ALA HA 1 11 LEU H . . 5.040 4.185 3.747 4.912 . 0 0 "[ . 1 . 2]" 1
50 1 9 ALA HA 1 12 VAL H . . 3.760 3.122 2.626 3.571 . 0 0 "[ . 1 . 2]" 1
51 1 9 ALA HA 1 12 VAL HB . . 4.820 2.304 2.049 2.777 . 0 0 "[ . 1 . 2]" 1
52 1 9 ALA HA 1 12 VAL MG2 . . 4.510 2.960 2.288 3.729 . 0 0 "[ . 1 . 2]" 1
53 1 9 ALA HA 1 13 PHE QE . . 6.940 4.896 4.526 5.895 . 0 0 "[ . 1 . 2]" 1
54 1 9 ALA MB 1 10 ASN H . . 4.050 3.098 2.758 3.331 . 0 0 "[ . 1 . 2]" 1
55 1 9 ALA MB 1 12 VAL MG2 . . 7.560 3.950 3.336 4.806 . 0 0 "[ . 1 . 2]" 1
56 1 9 ALA MB 1 13 PHE QD . . 7.190 3.030 2.592 3.779 . 0 0 "[ . 1 . 2]" 1
57 1 9 ALA MB 1 39 VAL MG2 . . 6.840 3.702 2.582 4.452 . 0 0 "[ . 1 . 2]" 1
58 1 9 ALA MB 1 50 TRP HH2 . . 5.260 4.145 3.262 4.304 . 0 0 "[ . 1 . 2]" 1
59 1 10 ASN H 1 10 ASN HB2 . . 2.990 2.276 2.056 2.474 . 0 0 "[ . 1 . 2]" 1
60 1 10 ASN H 1 10 ASN QB . . 2.760 2.175 2.016 2.294 . 0 0 "[ . 1 . 2]" 1
61 1 10 ASN H 1 10 ASN HB3 . . 2.990 2.827 2.511 3.040 0.050 3 0 "[ . 1 . 2]" 1
62 1 10 ASN H 1 10 ASN HD21 . . 5.440 4.273 3.817 4.562 . 0 0 "[ . 1 . 2]" 1
63 1 10 ASN H 1 12 VAL H . . 4.070 4.117 4.040 4.155 0.085 13 0 "[ . 1 . 2]" 1
64 1 10 ASN HA 1 50 TRP HE1 . . 4.910 4.308 3.435 4.946 0.036 9 0 "[ . 1 . 2]" 1
65 1 10 ASN QB 1 10 ASN HD22 . . 3.790 3.306 3.264 3.372 . 0 0 "[ . 1 . 2]" 1
66 1 10 ASN QB 1 11 LEU H . . 3.790 2.628 2.340 3.108 . 0 0 "[ . 1 . 2]" 1
67 1 10 ASN HB2 1 10 ASN HD21 . . 3.450 2.224 2.130 2.284 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASN HB2 1 11 LEU H . . 4.070 3.745 3.407 4.031 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASN HB3 1 10 ASN HD21 . . 3.450 3.396 3.034 3.509 0.059 14 0 "[ . 1 . 2]" 1
70 1 10 ASN HB3 1 11 LEU H . . 4.070 2.690 2.370 3.233 . 0 0 "[ . 1 . 2]" 1
71 1 11 LEU H 1 11 LEU HA . . 2.900 2.875 2.798 2.923 0.023 7 0 "[ . 1 . 2]" 1
72 1 11 LEU H 1 11 LEU HB2 . . 3.420 3.135 2.339 3.488 0.068 1 0 "[ . 1 . 2]" 1
73 1 11 LEU H 1 11 LEU QB . . 3.120 2.227 2.020 2.566 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 11 LEU HB3 . . 3.420 2.567 2.037 3.500 0.080 10 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU MD1 . . 5.500 2.974 2.442 3.927 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU H 1 11 LEU MD2 . . 5.600 3.522 1.830 4.249 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU H 1 11 LEU HG . . 4.010 3.789 2.414 4.097 0.087 5 0 "[ . 1 . 2]" 1
78 1 11 LEU H 1 12 VAL H . . 2.900 2.586 2.365 2.876 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU H 1 12 VAL MG2 . . 6.530 4.367 3.888 4.904 . 0 0 "[ . 1 . 2]" 1
80 1 11 LEU HA 1 11 LEU MD2 . . 3.830 2.989 2.166 3.152 . 0 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 14 LYS QB . . 5.200 2.723 2.112 3.442 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU QB 1 11 LEU HG . . 2.550 2.104 2.045 2.203 . 0 0 "[ . 1 . 2]" 1
83 1 11 LEU HB2 1 11 LEU HG . . 2.830 2.337 2.228 2.524 . 0 0 "[ . 1 . 2]" 1
84 1 11 LEU HB2 1 12 VAL H . . 4.290 3.777 2.057 4.367 0.077 15 0 "[ . 1 . 2]" 1
85 1 11 LEU HB3 1 11 LEU HG . . 2.830 2.432 2.274 2.919 0.089 3 0 "[ . 1 . 2]" 1
86 1 11 LEU HB3 1 12 VAL H . . 4.290 3.723 3.112 3.973 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU MD1 1 81 LEU MD1 . . 7.430 4.319 3.645 5.181 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL H 1 12 VAL HB . . 3.360 2.212 1.860 2.533 . 0 0 "[ . 1 . 2]" 1
89 1 12 VAL H 1 12 VAL MG2 . . 3.430 2.520 2.192 2.769 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL H 1 13 PHE H . . 3.580 2.891 2.470 3.127 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL H 1 116 LEU MD1 . . 6.530 5.299 4.832 5.405 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL HA 1 12 VAL MG2 . . 3.680 2.230 2.088 2.344 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL HA 1 15 GLU H . . 4.420 3.601 3.321 3.793 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL HA 1 15 GLU QB . . 5.450 3.335 2.823 3.767 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL HA 1 116 LEU MD1 . . 4.420 3.198 2.636 3.614 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL HB 1 13 PHE H . . 5.500 2.746 2.316 3.132 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL MG1 1 13 PHE H . . 6.060 2.850 2.379 3.226 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL MG1 1 16 ILE H . . 6.530 4.787 4.465 5.308 . 0 0 "[ . 1 . 2]" 1
99 1 12 VAL MG1 1 16 ILE MD . . 5.660 3.074 2.786 3.551 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL MG1 1 84 MET QB . . 7.410 3.704 3.194 4.468 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL MG1 1 84 MET ME . . 6.780 2.057 1.908 2.455 . 0 0 "[ . 1 . 2]" 1
102 1 12 VAL MG1 1 116 LEU MD1 . . 6.070 3.572 2.805 4.016 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL MG1 1 116 LEU MD2 . . 7.560 4.164 2.225 5.150 . 0 0 "[ . 1 . 2]" 1
104 1 12 VAL MG2 1 16 ILE MD . . 7.560 5.134 5.062 5.170 . 0 0 "[ . 1 . 2]" 1
105 1 12 VAL MG2 1 81 LEU HA . . 4.420 3.064 2.176 3.498 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL MG2 1 81 LEU MD1 . . 5.260 2.272 2.053 2.968 . 0 0 "[ . 1 . 2]" 1
107 1 12 VAL MG2 1 84 MET H . . 6.530 5.065 4.393 5.390 . 0 0 "[ . 1 . 2]" 1
108 1 12 VAL MG2 1 84 MET ME . . 7.560 3.701 2.774 4.270 . 0 0 "[ . 1 . 2]" 1
109 1 12 VAL MG2 1 85 THR MG . . 7.560 4.289 3.236 5.221 . 0 0 "[ . 1 . 2]" 1
110 1 13 PHE H 1 13 PHE HB2 . . 3.730 2.474 2.309 2.651 . 0 0 "[ . 1 . 2]" 1
111 1 13 PHE H 1 13 PHE QB . . 3.550 2.434 2.282 2.591 . 0 0 "[ . 1 . 2]" 1
112 1 13 PHE H 1 13 PHE HB3 . . 3.730 3.613 3.567 3.655 . 0 0 "[ . 1 . 2]" 1
113 1 13 PHE H 1 14 LYS H . . 3.480 2.661 2.579 2.715 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE HA 1 16 ILE H . . 4.140 3.340 3.119 3.682 . 0 0 "[ . 1 . 2]" 1
115 1 13 PHE HA 1 16 ILE HB . . 3.240 2.989 2.450 3.300 0.060 2 0 "[ . 1 . 2]" 1
116 1 13 PHE HA 1 16 ILE MD . . 4.880 2.175 1.944 2.528 . 0 0 "[ . 1 . 2]" 1
117 1 13 PHE HA 1 17 GLU H . . 4.940 4.333 4.079 4.607 . 0 0 "[ . 1 . 2]" 1
118 1 13 PHE QB 1 50 TRP HE1 . . 4.360 2.806 2.636 2.959 . 0 0 "[ . 1 . 2]" 1
119 1 13 PHE QB 1 61 VAL MG1 . . 5.490 3.191 2.374 3.743 . 0 0 "[ . 1 . 2]" 1
120 1 13 PHE HB2 1 50 TRP HE1 . . 4.660 2.968 2.770 3.285 . 0 0 "[ . 1 . 2]" 1
121 1 13 PHE HB3 1 50 TRP HE1 . . 4.660 3.530 2.928 3.931 . 0 0 "[ . 1 . 2]" 1
122 1 13 PHE QD 1 16 ILE MD . . 8.150 2.323 2.013 2.866 . 0 0 "[ . 1 . 2]" 1
123 1 13 PHE QD 1 37 PHE HB2 . . 5.850 4.635 4.140 5.094 . 0 0 "[ . 1 . 2]" 1
124 1 13 PHE QD 1 37 PHE QD . . 7.760 3.190 2.315 3.825 . 0 0 "[ . 1 . 2]" 1
125 1 13 PHE QD 1 37 PHE QE . . 8.690 2.704 2.430 3.048 . 0 0 "[ . 1 . 2]" 1
126 1 13 PHE QD 1 50 TRP HD1 . . 5.950 4.440 3.781 4.769 . 0 0 "[ . 1 . 2]" 1
127 1 13 PHE QD 1 50 TRP HE1 . . 6.260 4.288 3.699 4.961 . 0 0 "[ . 1 . 2]" 1
128 1 13 PHE QD 1 50 TRP HZ2 . . 6.540 3.969 3.450 4.369 . 0 0 "[ . 1 . 2]" 1
129 1 13 PHE QD 1 50 TRP HZ3 . . 6.380 3.700 3.266 4.224 . 0 0 "[ . 1 . 2]" 1
130 1 13 PHE QD 1 52 VAL MG2 . . 6.510 4.388 3.920 4.685 . 0 0 "[ . 1 . 2]" 1
131 1 13 PHE QD 1 61 VAL MG1 . . 7.160 4.567 3.967 5.007 . 0 0 "[ . 1 . 2]" 1
132 1 13 PHE QD 1 61 VAL MG2 . . 8.650 5.386 4.910 5.781 . 0 0 "[ . 1 . 2]" 1
133 1 13 PHE QE 1 49 THR HA . . 5.700 4.891 4.404 5.155 . 0 0 "[ . 1 . 2]" 1
134 1 13 PHE QE 1 50 TRP H . . 7.620 4.612 4.048 4.952 . 0 0 "[ . 1 . 2]" 1
135 1 13 PHE QE 1 81 LEU H . . 7.190 6.412 6.239 6.475 . 0 0 "[ . 1 . 2]" 1
136 1 14 LYS H 1 14 LYS HB2 . . 3.550 2.268 2.045 2.657 . 0 0 "[ . 1 . 2]" 1
137 1 14 LYS H 1 14 LYS QB . . 3.130 2.141 1.991 2.248 . 0 0 "[ . 1 . 2]" 1
138 1 14 LYS H 1 14 LYS HB3 . . 3.550 2.675 2.427 2.939 . 0 0 "[ . 1 . 2]" 1
139 1 14 LYS H 1 14 LYS QD . . 5.510 4.437 3.949 4.806 . 0 0 "[ . 1 . 2]" 1
140 1 14 LYS H 1 14 LYS QE . . 6.380 5.056 3.839 5.755 . 0 0 "[ . 1 . 2]" 1
141 1 14 LYS H 1 15 GLU H . . 3.170 2.589 2.344 2.799 . 0 0 "[ . 1 . 2]" 1
142 1 14 LYS HA 1 17 GLU H . . 4.040 2.993 2.755 3.386 . 0 0 "[ . 1 . 2]" 1
143 1 14 LYS HA 1 17 GLU HB3 . . 3.610 2.225 2.003 2.575 . 0 0 "[ . 1 . 2]" 1
144 1 14 LYS HA 1 18 LYS H . . 5.500 3.705 3.559 3.917 . 0 0 "[ . 1 . 2]" 1
145 1 14 LYS QB 1 15 GLU H . . 3.420 2.644 2.256 2.846 . 0 0 "[ . 1 . 2]" 1
146 1 14 LYS QB 1 50 TRP HE1 . . 4.640 3.963 3.938 4.028 . 0 0 "[ . 1 . 2]" 1
147 1 14 LYS HB2 1 15 GLU H . . 3.610 3.709 3.701 3.714 0.104 16 0 "[ . 1 . 2]" 1
148 1 14 LYS HB3 1 15 GLU H . . 3.610 2.710 2.276 2.956 . 0 0 "[ . 1 . 2]" 1
149 1 14 LYS QG 1 15 GLU H . . 6.380 3.966 3.256 4.240 . 0 0 "[ . 1 . 2]" 1
150 1 14 LYS QG 1 18 LYS H . . 5.170 3.574 3.260 3.855 . 0 0 "[ . 1 . 2]" 1
151 1 14 LYS QG 1 18 LYS HA . . 4.980 4.482 4.378 4.523 . 0 0 "[ . 1 . 2]" 1
152 1 14 LYS QG 1 50 TRP HE1 . . 5.760 4.776 4.127 5.093 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLU H 1 15 GLU QB . . 3.870 2.469 2.133 2.823 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLU H 1 15 GLU HG2 . . 3.830 2.710 1.900 3.895 0.065 16 0 "[ . 1 . 2]" 1
155 1 15 GLU H 1 15 GLU QG . . 3.480 2.583 1.892 3.123 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLU H 1 15 GLU HG3 . . 3.830 3.724 3.198 3.923 0.093 18 0 "[ . 1 . 2]" 1
157 1 15 GLU H 1 16 ILE H . . 3.110 2.895 2.687 3.033 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLU H 1 17 GLU H . . 4.570 4.236 4.051 4.498 . 0 0 "[ . 1 . 2]" 1
159 1 15 GLU H 1 116 LEU MD2 . . 6.000 4.557 3.903 4.962 . 0 0 "[ . 1 . 2]" 1
160 1 15 GLU HA 1 18 LYS H . . 3.300 3.262 2.848 3.375 0.075 10 0 "[ . 1 . 2]" 1
161 1 15 GLU HA 1 18 LYS QB . . 4.110 2.498 2.190 2.909 . 0 0 "[ . 1 . 2]" 1
162 1 15 GLU QB 1 116 LEU H . . 5.450 3.898 3.400 4.919 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLU QB 1 116 LEU MD1 . . 6.230 3.342 2.687 4.484 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLU QB 1 116 LEU MD2 . . 6.160 2.160 1.859 3.267 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLU QG 1 116 LEU H . . 5.730 4.899 3.345 5.124 . 0 0 "[ . 1 . 2]" 1
166 1 16 ILE H 1 16 ILE HB . . 2.620 2.399 2.295 2.573 . 0 0 "[ . 1 . 2]" 1
167 1 16 ILE H 1 16 ILE MD . . 4.790 3.379 3.064 3.569 . 0 0 "[ . 1 . 2]" 1
168 1 16 ILE H 1 16 ILE HG12 . . 3.520 3.446 3.201 3.599 0.079 9 0 "[ . 1 . 2]" 1
169 1 16 ILE H 1 16 ILE HG13 . . 3.050 2.161 1.952 2.282 . 0 0 "[ . 1 . 2]" 1
170 1 16 ILE H 1 16 ILE MG . . 4.360 3.691 3.680 3.696 . 0 0 "[ . 1 . 2]" 1
171 1 16 ILE H 1 17 GLU H . . 3.480 2.676 2.426 2.864 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE HA 1 16 ILE HG12 . . 3.450 2.713 2.505 2.875 . 0 0 "[ . 1 . 2]" 1
173 1 16 ILE HA 1 16 ILE MG . . 3.580 2.437 2.185 2.550 . 0 0 "[ . 1 . 2]" 1
174 1 16 ILE HA 1 18 LYS H . . 5.500 4.628 4.398 4.842 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE HA 1 19 LYS H . . 4.140 3.857 3.634 4.104 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE HA 1 19 LYS HB2 . . 4.200 4.072 3.168 4.282 0.082 4 0 "[ . 1 . 2]" 1
177 1 16 ILE HA 1 19 LYS QB . . 3.940 3.200 2.851 3.498 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE HA 1 19 LYS HB3 . . 4.200 3.394 2.920 3.973 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE HA 1 20 LEU H . . 5.160 4.375 4.098 4.639 . 0 0 "[ . 1 . 2]" 1
180 1 16 ILE HB 1 17 GLU H . . 3.020 2.482 2.300 2.722 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE HB 1 61 VAL MG2 . . 6.000 3.295 2.580 3.843 . 0 0 "[ . 1 . 2]" 1
182 1 16 ILE MD 1 52 VAL MG2 . . 7.560 3.834 3.433 4.354 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE MD 1 84 MET ME . . 6.380 2.003 1.796 2.328 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE MD 1 114 LEU QB . . 7.400 5.003 3.442 5.420 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE HG12 1 16 ILE MG . . 3.430 2.374 2.207 2.528 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE HG12 1 17 GLU H . . 5.500 5.012 4.821 5.143 . 0 0 "[ . 1 . 2]" 1
187 1 16 ILE HG13 1 17 GLU H . . 5.410 4.314 3.885 4.591 . 0 0 "[ . 1 . 2]" 1
188 1 16 ILE HG13 1 84 MET ME . . 3.430 2.774 2.290 2.924 . 0 0 "[ . 1 . 2]" 1
189 1 16 ILE HG13 1 116 LEU MD2 . . 6.500 4.378 2.606 5.378 . 0 0 "[ . 1 . 2]" 1
190 1 16 ILE MG 1 17 GLU H . . 4.110 3.293 3.082 3.373 . 0 0 "[ . 1 . 2]" 1
191 1 16 ILE MG 1 20 LEU H . . 5.630 4.365 4.142 4.633 . 0 0 "[ . 1 . 2]" 1
192 1 16 ILE MG 1 52 VAL MG1 . . 4.950 3.081 2.585 3.316 . 0 0 "[ . 1 . 2]" 1
193 1 16 ILE MG 1 52 VAL MG2 . . 7.490 3.133 2.661 4.002 . 0 0 "[ . 1 . 2]" 1
194 1 16 ILE MG 1 61 VAL MG1 . . 7.430 3.918 3.328 4.421 . 0 0 "[ . 1 . 2]" 1
195 1 16 ILE MG 1 114 LEU MD1 . . 7.340 3.090 2.050 4.207 . 0 0 "[ . 1 . 2]" 1
196 1 16 ILE MG 1 114 LEU MD2 . . 7.560 3.187 2.383 3.823 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU H 1 17 GLU HB2 . . 2.650 2.505 2.346 2.631 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU H 1 17 GLU HB3 . . 3.270 2.503 2.194 2.797 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU H 1 18 LYS H . . 3.050 2.871 2.680 2.977 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU H 1 61 VAL MG2 . . 5.010 2.845 2.597 3.199 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU HA 1 20 LEU H . . 3.980 3.309 3.187 3.514 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLU HA 1 20 LEU HB3 . . 5.500 3.316 2.937 3.648 . 0 0 "[ . 1 . 2]" 1
203 1 17 GLU HA 1 20 LEU MD2 . . 6.530 4.318 3.846 4.574 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HA 1 61 VAL MG2 . . 3.950 1.962 1.834 2.146 . 0 0 "[ . 1 . 2]" 1
205 1 17 GLU HB2 1 18 LYS H . . 3.860 3.867 3.705 3.928 0.068 10 0 "[ . 1 . 2]" 1
206 1 17 GLU HB2 1 61 VAL MG2 . . 3.740 2.306 2.184 2.426 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLU HB3 1 18 LYS H . . 2.930 2.530 2.282 2.659 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU HB3 1 61 VAL MG2 . . 4.420 3.579 3.536 3.618 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLU QG 1 18 LYS H . . 6.380 3.553 3.123 3.885 . 0 0 "[ . 1 . 2]" 1
210 1 18 LYS H 1 18 LYS HA . . 2.930 2.748 2.676 2.800 . 0 0 "[ . 1 . 2]" 1
211 1 18 LYS H 1 18 LYS QB . . 3.680 2.228 2.092 2.576 . 0 0 "[ . 1 . 2]" 1
212 1 18 LYS H 1 19 LYS H . . 2.960 2.822 2.709 2.974 0.014 17 0 "[ . 1 . 2]" 1
213 1 18 LYS H 1 19 LYS QB . . 6.380 4.518 4.319 4.694 . 0 0 "[ . 1 . 2]" 1
214 1 18 LYS H 1 20 LEU H . . 4.720 4.132 3.889 4.297 . 0 0 "[ . 1 . 2]" 1
215 1 18 LYS HA 1 21 GLU H . . 3.390 3.442 3.157 3.478 0.088 12 0 "[ . 1 . 2]" 1
216 1 18 LYS HA 1 21 GLU HB2 . . 4.690 3.013 2.636 3.395 . 0 0 "[ . 1 . 2]" 1
217 1 18 LYS HA 1 21 GLU HB3 . . 4.910 4.602 4.284 4.974 0.064 10 0 "[ . 1 . 2]" 1
218 1 18 LYS QB 1 19 LYS H . . 4.110 2.622 2.357 3.488 . 0 0 "[ . 1 . 2]" 1
219 1 19 LYS H 1 19 LYS HA . . 2.830 2.866 2.831 2.896 0.066 11 0 "[ . 1 . 2]" 1
220 1 19 LYS H 1 19 LYS HB2 . . 3.080 2.410 1.997 2.731 . 0 0 "[ . 1 . 2]" 1
221 1 19 LYS H 1 19 LYS QB . . 2.810 2.187 1.977 2.276 . 0 0 "[ . 1 . 2]" 1
222 1 19 LYS H 1 19 LYS HB3 . . 3.080 2.583 2.300 3.158 0.078 3 0 "[ . 1 . 2]" 1
223 1 19 LYS H 1 19 LYS QG . . 4.890 4.024 3.830 4.108 . 0 0 "[ . 1 . 2]" 1
224 1 19 LYS H 1 20 LEU H . . 3.020 2.714 2.552 2.838 . 0 0 "[ . 1 . 2]" 1
225 1 19 LYS HA 1 22 GLU H . . 3.580 3.264 2.971 3.605 0.025 14 0 "[ . 1 . 2]" 1
226 1 19 LYS HA 1 22 GLU QB . . 6.380 2.810 2.136 4.309 . 0 0 "[ . 1 . 2]" 1
227 1 19 LYS HA 1 23 GLU H . . 4.320 3.915 3.658 4.368 0.048 11 0 "[ . 1 . 2]" 1
228 1 19 LYS QB 1 20 LEU H . . 6.130 2.718 2.536 3.018 . 0 0 "[ . 1 . 2]" 1
229 1 19 LYS QG 1 114 LEU MD1 . . 6.040 4.185 3.071 4.409 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU H 1 20 LEU HB2 . . 2.830 2.023 1.962 2.058 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU H 1 20 LEU HB3 . . 3.170 3.237 3.134 3.255 0.085 16 0 "[ . 1 . 2]" 1
232 1 20 LEU H 1 20 LEU MD1 . . 3.990 3.131 2.926 3.212 . 0 0 "[ . 1 . 2]" 1
233 1 20 LEU H 1 20 LEU HG . . 3.730 3.720 3.598 3.798 0.068 19 0 "[ . 1 . 2]" 1
234 1 20 LEU H 1 21 GLU H . . 3.020 2.745 2.469 2.918 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU H 1 22 GLU H . . 4.690 4.300 3.994 4.481 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU HA 1 20 LEU HB2 . . 3.020 2.911 2.864 2.961 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU HA 1 20 LEU MD1 . . 3.990 3.307 3.251 3.328 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU HA 1 23 GLU H . . 3.670 3.618 3.449 3.740 0.070 15 0 "[ . 1 . 2]" 1
239 1 20 LEU HA 1 24 GLY HA3 . . 4.290 2.169 1.953 2.355 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU HB2 1 21 GLU H . . 3.670 3.222 3.008 3.399 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU HB3 1 21 GLU H . . 3.360 3.044 2.864 3.218 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU MD1 1 21 GLU H . . 6.530 4.787 4.612 4.936 . 0 0 "[ . 1 . 2]" 1
243 1 20 LEU MD1 1 24 GLY HA2 . . 4.880 4.474 4.188 4.846 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU MD1 1 24 GLY HA3 . . 6.470 4.066 3.989 4.108 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU MD1 1 27 PHE QD . . 8.560 2.865 1.991 4.628 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU MD1 1 54 VAL MG1 . . 4.580 2.255 2.048 2.717 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU MD1 1 60 SER H . . 6.530 4.464 4.195 4.778 . 0 0 "[ . 1 . 2]" 1
248 1 20 LEU MD1 1 61 VAL H . . 5.850 4.423 3.799 4.723 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU MD2 1 27 PHE H . . 6.530 4.880 4.367 5.384 . 0 0 "[ . 1 . 2]" 1
250 1 20 LEU MD2 1 52 VAL MG1 . . 6.440 3.254 2.851 3.734 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU MD2 1 54 VAL MG1 . . 7.560 2.007 1.929 2.109 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU MD2 1 60 SER H . . 5.600 2.548 2.197 2.801 . 0 0 "[ . 1 . 2]" 1
253 1 20 LEU MD2 1 61 VAL MG2 . . 5.140 3.179 2.678 3.352 . 0 0 "[ . 1 . 2]" 1
254 1 21 GLU H 1 21 GLU HB2 . . 3.240 2.589 2.476 2.784 . 0 0 "[ . 1 . 2]" 1
255 1 21 GLU H 1 21 GLU HG2 . . 4.170 2.161 2.021 2.265 . 0 0 "[ . 1 . 2]" 1
256 1 21 GLU H 1 21 GLU QG . . 3.620 2.141 2.008 2.241 . 0 0 "[ . 1 . 2]" 1
257 1 21 GLU H 1 21 GLU HG3 . . 4.170 3.484 3.249 3.612 . 0 0 "[ . 1 . 2]" 1
258 1 21 GLU H 1 22 GLU H . . 2.930 2.888 2.559 3.002 0.072 6 0 "[ . 1 . 2]" 1
259 1 21 GLU H 1 23 GLU H . . 5.500 4.463 4.324 4.773 . 0 0 "[ . 1 . 2]" 1
260 1 21 GLU H 1 60 SER HA . . 4.760 4.838 4.793 4.855 0.095 14 0 "[ . 1 . 2]" 1
261 1 21 GLU HA 1 21 GLU HB2 . . 3.050 3.013 2.977 3.047 . 0 0 "[ . 1 . 2]" 1
262 1 21 GLU HA 1 21 GLU HG2 . . 3.920 3.003 2.806 3.248 . 0 0 "[ . 1 . 2]" 1
263 1 21 GLU HA 1 21 GLU QG . . 3.520 2.895 2.731 3.090 . 0 0 "[ . 1 . 2]" 1
264 1 21 GLU HA 1 21 GLU HG3 . . 3.920 3.799 3.690 3.911 . 0 0 "[ . 1 . 2]" 1
265 1 21 GLU HA 1 22 GLU H . . 3.640 3.630 3.568 3.685 0.045 13 0 "[ . 1 . 2]" 1
266 1 21 GLU HB2 1 22 GLU H . . 3.920 2.707 2.388 2.926 . 0 0 "[ . 1 . 2]" 1
267 1 21 GLU HB3 1 22 GLU H . . 3.920 3.746 3.548 3.869 . 0 0 "[ . 1 . 2]" 1
268 1 21 GLU QG 1 22 GLU H . . 4.830 4.137 3.868 4.311 . 0 0 "[ . 1 . 2]" 1
269 1 22 GLU H 1 22 GLU QB . . 3.800 2.499 2.238 2.881 . 0 0 "[ . 1 . 2]" 1
270 1 22 GLU H 1 22 GLU HG2 . . 2.990 2.814 1.863 3.081 0.091 1 0 "[ . 1 . 2]" 1
271 1 22 GLU H 1 22 GLU QG . . 2.780 2.252 1.841 2.551 . 0 0 "[ . 1 . 2]" 1
272 1 22 GLU H 1 22 GLU HG3 . . 2.990 2.517 2.045 3.058 0.068 10 0 "[ . 1 . 2]" 1
273 1 22 GLU H 1 23 GLU H . . 2.740 2.817 2.798 2.827 0.087 18 0 "[ . 1 . 2]" 1
274 1 22 GLU H 1 24 GLY H . . 4.820 4.545 4.089 4.775 . 0 0 "[ . 1 . 2]" 1
275 1 22 GLU HA 1 22 GLU HG2 . . 3.790 2.563 2.231 3.715 . 0 0 "[ . 1 . 2]" 1
276 1 22 GLU HA 1 22 GLU QG . . 3.530 2.478 2.205 3.224 . 0 0 "[ . 1 . 2]" 1
277 1 22 GLU HA 1 22 GLU HG3 . . 3.790 3.462 3.144 3.834 0.044 10 0 "[ . 1 . 2]" 1
278 1 22 GLU HA 1 23 GLU H . . 3.520 3.592 3.583 3.603 0.083 20 0 "[ . 1 . 2]" 1
279 1 22 GLU QB 1 23 GLU H . . 4.080 2.618 2.417 3.322 . 0 0 "[ . 1 . 2]" 1
280 1 22 GLU QB 1 24 GLY H . . 5.760 4.965 4.822 5.183 . 0 0 "[ . 1 . 2]" 1
281 1 23 GLU H 1 23 GLU HB2 . . 3.360 3.261 3.069 3.413 0.053 10 0 "[ . 1 . 2]" 1
282 1 23 GLU H 1 23 GLU HB3 . . 3.360 3.143 2.673 3.444 0.084 15 0 "[ . 1 . 2]" 1
283 1 23 GLU H 1 23 GLU QG . . 4.490 4.082 4.062 4.089 . 0 0 "[ . 1 . 2]" 1
284 1 23 GLU H 1 24 GLY H . . 2.680 2.659 2.304 2.756 0.076 5 0 "[ . 1 . 2]" 1
285 1 23 GLU HA 1 24 GLY H . . 3.170 2.600 2.501 2.740 . 0 0 "[ . 1 . 2]" 1
286 1 23 GLU HA 1 25 GLU H . . 5.500 3.254 2.949 3.842 . 0 0 "[ . 1 . 2]" 1
287 1 23 GLU HA 1 26 GLN H . . 5.500 4.686 4.179 4.924 . 0 0 "[ . 1 . 2]" 1
288 1 24 GLY H 1 24 GLY HA2 . . 2.830 2.277 2.222 2.332 . 0 0 "[ . 1 . 2]" 1
289 1 24 GLY H 1 24 GLY HA3 . . 2.830 2.834 2.763 2.890 0.060 19 0 "[ . 1 . 2]" 1
290 1 24 GLY H 1 25 GLU H . . 3.550 2.750 2.493 3.033 . 0 0 "[ . 1 . 2]" 1
291 1 24 GLY H 1 26 GLN H . . 5.410 4.884 4.616 5.221 . 0 0 "[ . 1 . 2]" 1
292 1 24 GLY HA2 1 27 PHE H . . 4.480 4.356 4.140 4.553 0.073 5 0 "[ . 1 . 2]" 1
293 1 24 GLY HA3 1 27 PHE H . . 5.500 3.185 2.975 3.385 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLU H 1 25 GLU QB . . 3.830 2.362 1.940 2.604 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLU H 1 25 GLU HG2 . . 4.630 2.904 1.921 4.312 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLU H 1 25 GLU QG . . 4.020 2.594 1.909 3.585 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLU H 1 25 GLU HG3 . . 4.630 3.294 2.476 4.148 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLU H 1 26 GLN H . . 2.990 3.008 2.913 3.067 0.077 18 0 "[ . 1 . 2]" 1
299 1 25 GLU H 1 27 PHE H . . 5.340 4.213 4.030 4.449 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLU H 1 58 LYS HA . . 4.290 3.962 2.915 4.370 0.080 6 0 "[ . 1 . 2]" 1
301 1 25 GLU H 1 58 LYS HB2 . . 4.230 4.006 3.457 4.321 0.091 18 0 "[ . 1 . 2]" 1
302 1 25 GLU HA 1 28 VAL H . . 3.580 3.620 3.469 3.673 0.093 9 0 "[ . 1 . 2]" 1
303 1 25 GLU HA 1 28 VAL HB . . 3.240 2.972 2.285 3.309 0.069 10 0 "[ . 1 . 2]" 1
304 1 25 GLU HA 1 28 VAL MG2 . . 4.540 2.839 2.284 3.147 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLU HA 1 58 LYS HA . . 4.070 2.471 2.152 3.042 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU HA 1 58 LYS QG . . 4.800 4.218 3.050 4.366 . 0 0 "[ . 1 . 2]" 1
307 1 26 GLN H 1 26 GLN HA . . 2.860 2.883 2.822 2.929 0.069 11 0 "[ . 1 . 2]" 1
308 1 26 GLN H 1 26 GLN HB2 . . 2.960 2.279 2.107 2.539 . 0 0 "[ . 1 . 2]" 1
309 1 26 GLN H 1 26 GLN HB3 . . 2.770 2.639 2.214 2.844 0.074 6 0 "[ . 1 . 2]" 1
310 1 26 GLN H 1 26 GLN QG . . 4.270 3.854 3.785 3.882 . 0 0 "[ . 1 . 2]" 1
311 1 26 GLN H 1 27 PHE H . . 2.860 2.519 2.213 2.737 . 0 0 "[ . 1 . 2]" 1
312 1 26 GLN HA 1 26 GLN HE22 . . 5.500 5.309 3.293 5.595 0.095 18 0 "[ . 1 . 2]" 1
313 1 26 GLN HA 1 29 LYS H . . 3.520 3.388 2.907 3.609 0.089 18 0 "[ . 1 . 2]" 1
314 1 26 GLN HA 1 29 LYS QB . . 4.760 3.316 2.428 4.152 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLN HB2 1 27 PHE H . . 3.920 3.915 3.597 3.999 0.079 3 0 "[ . 1 . 2]" 1
316 1 26 GLN HB3 1 27 PHE H . . 3.330 3.012 2.606 3.316 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLN QG 1 27 PHE H . . 5.850 4.366 3.782 4.769 . 0 0 "[ . 1 . 2]" 1
318 1 27 PHE H 1 27 PHE HB2 . . 3.240 2.049 1.987 2.156 . 0 0 "[ . 1 . 2]" 1
319 1 27 PHE H 1 27 PHE QB . . 3.020 2.030 1.972 2.130 . 0 0 "[ . 1 . 2]" 1
320 1 27 PHE H 1 27 PHE HB3 . . 3.240 3.302 3.263 3.322 0.082 19 0 "[ . 1 . 2]" 1
321 1 27 PHE H 1 28 VAL H . . 3.080 2.437 2.077 2.766 . 0 0 "[ . 1 . 2]" 1
322 1 27 PHE H 1 54 VAL MG1 . . 6.530 4.825 4.401 5.327 . 0 0 "[ . 1 . 2]" 1
323 1 27 PHE H 1 114 LEU MD1 . . 6.530 5.391 5.138 5.473 . 0 0 "[ . 1 . 2]" 1
324 1 27 PHE HA 1 30 LYS H . . 4.200 3.175 2.814 3.713 . 0 0 "[ . 1 . 2]" 1
325 1 27 PHE HA 1 30 LYS QB . . 5.110 2.843 2.380 3.672 . 0 0 "[ . 1 . 2]" 1
326 1 27 PHE QB 1 28 VAL H . . 4.490 2.885 2.657 3.155 . 0 0 "[ . 1 . 2]" 1
327 1 27 PHE QB 1 31 ILE MD . . 6.200 3.980 3.303 4.421 . 0 0 "[ . 1 . 2]" 1
328 1 27 PHE QB 1 54 VAL MG1 . . 4.960 2.656 2.279 3.201 . 0 0 "[ . 1 . 2]" 1
329 1 27 PHE HB2 1 54 VAL MG1 . . 5.540 3.804 3.430 4.311 . 0 0 "[ . 1 . 2]" 1
330 1 27 PHE HB3 1 54 VAL MG1 . . 5.540 2.714 2.307 3.300 . 0 0 "[ . 1 . 2]" 1
331 1 27 PHE QD 1 31 ILE MD . . 8.650 3.989 2.311 4.676 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL H 1 28 VAL HB . . 2.900 2.333 2.176 2.499 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL H 1 28 VAL MG1 . . 4.700 3.726 3.637 3.810 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL H 1 28 VAL MG2 . . 3.430 2.305 2.063 2.571 . 0 0 "[ . 1 . 2]" 1
335 1 28 VAL H 1 29 LYS H . . 3.210 2.853 2.706 2.983 . 0 0 "[ . 1 . 2]" 1
336 1 28 VAL H 1 30 LYS H . . 4.110 4.137 4.002 4.198 0.088 3 0 "[ . 1 . 2]" 1
337 1 28 VAL H 1 54 VAL MG1 . . 6.530 3.603 3.209 4.220 . 0 0 "[ . 1 . 2]" 1
338 1 28 VAL HA 1 28 VAL MG1 . . 3.550 2.554 2.433 2.651 . 0 0 "[ . 1 . 2]" 1
339 1 28 VAL HA 1 28 VAL MG2 . . 3.430 2.378 2.294 2.428 . 0 0 "[ . 1 . 2]" 1
340 1 28 VAL HA 1 31 ILE H . . 4.170 3.911 3.595 4.113 . 0 0 "[ . 1 . 2]" 1
341 1 28 VAL HA 1 32 GLY QA . . 4.860 3.910 3.447 4.196 . 0 0 "[ . 1 . 2]" 1
342 1 28 VAL HA 1 54 VAL HB . . 3.520 2.261 2.070 3.134 . 0 0 "[ . 1 . 2]" 1
343 1 28 VAL HA 1 54 VAL MG1 . . 4.730 2.841 2.259 3.363 . 0 0 "[ . 1 . 2]" 1
344 1 28 VAL HB 1 29 LYS H . . 3.110 2.714 2.377 3.138 0.028 16 0 "[ . 1 . 2]" 1
345 1 28 VAL MG1 1 29 LYS H . . 4.570 3.246 2.755 3.601 . 0 0 "[ . 1 . 2]" 1
346 1 28 VAL MG1 1 31 ILE H . . 6.530 5.143 4.706 5.400 . 0 0 "[ . 1 . 2]" 1
347 1 28 VAL MG1 1 32 GLY H . . 6.530 3.884 3.568 4.077 . 0 0 "[ . 1 . 2]" 1
348 1 28 VAL MG1 1 55 LYS HA . . 5.410 2.142 1.941 2.411 . 0 0 "[ . 1 . 2]" 1
349 1 28 VAL MG1 1 56 ASN H . . 6.430 4.247 3.876 4.563 . 0 0 "[ . 1 . 2]" 1
350 1 28 VAL MG1 1 57 GLY H . . 6.530 4.797 3.826 5.342 . 0 0 "[ . 1 . 2]" 1
351 1 28 VAL MG1 1 59 GLY QA . . 5.760 4.219 4.126 4.248 . 0 0 "[ . 1 . 2]" 1
352 1 28 VAL MG2 1 29 LYS H . . 5.470 4.068 3.891 4.243 . 0 0 "[ . 1 . 2]" 1
353 1 28 VAL MG2 1 54 VAL HA . . 4.020 2.139 2.002 2.747 . 0 0 "[ . 1 . 2]" 1
354 1 28 VAL MG2 1 54 VAL HB . . 5.600 3.466 2.944 4.016 . 0 0 "[ . 1 . 2]" 1
355 1 28 VAL MG2 1 54 VAL MG1 . . 4.890 2.763 2.382 3.066 . 0 0 "[ . 1 . 2]" 1
356 1 28 VAL MG2 1 55 LYS H . . 6.530 3.146 2.740 3.719 . 0 0 "[ . 1 . 2]" 1
357 1 28 VAL MG2 1 58 LYS H . . 6.530 4.291 4.013 4.563 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL MG2 1 58 LYS HA . . 5.780 2.557 2.267 2.761 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL MG2 1 59 GLY H . . 3.800 3.101 2.739 3.175 . 0 0 "[ . 1 . 2]" 1
360 1 29 LYS H 1 29 LYS QB . . 3.770 2.354 2.108 2.562 . 0 0 "[ . 1 . 2]" 1
361 1 29 LYS H 1 29 LYS HG2 . . 4.040 2.907 2.232 4.024 . 0 0 "[ . 1 . 2]" 1
362 1 29 LYS H 1 29 LYS QG . . 3.710 2.599 2.213 3.308 . 0 0 "[ . 1 . 2]" 1
363 1 29 LYS H 1 29 LYS HG3 . . 4.040 3.407 2.262 4.090 0.050 19 0 "[ . 1 . 2]" 1
364 1 29 LYS HA 1 29 LYS QG . . 3.880 2.855 2.175 3.485 . 0 0 "[ . 1 . 2]" 1
365 1 29 LYS QB 1 30 LYS H . . 4.140 3.329 2.800 3.764 . 0 0 "[ . 1 . 2]" 1
366 1 30 LYS H 1 30 LYS HA . . 2.830 2.885 2.828 2.915 0.085 4 0 "[ . 1 . 2]" 1
367 1 30 LYS H 1 30 LYS QB . . 3.770 2.403 2.215 2.547 . 0 0 "[ . 1 . 2]" 1
368 1 30 LYS H 1 30 LYS HG2 . . 3.610 3.014 1.996 3.685 0.075 3 0 "[ . 1 . 2]" 1
369 1 30 LYS H 1 30 LYS HG3 . . 3.140 2.922 2.416 3.227 0.087 19 0 "[ . 1 . 2]" 1
370 1 30 LYS H 1 31 ILE H . . 2.900 2.732 2.414 2.963 0.063 7 0 "[ . 1 . 2]" 1
371 1 30 LYS H 1 32 GLY H . . 5.340 4.190 3.520 4.594 . 0 0 "[ . 1 . 2]" 1
372 1 30 LYS HA 1 30 LYS HG2 . . 3.080 2.501 2.225 2.958 . 0 0 "[ . 1 . 2]" 1
373 1 30 LYS HA 1 30 LYS HG3 . . 3.730 3.394 2.882 3.798 0.068 16 0 "[ . 1 . 2]" 1
374 1 30 LYS QB 1 31 ILE H . . 4.020 2.561 2.100 3.174 . 0 0 "[ . 1 . 2]" 1
375 1 30 LYS QB 1 32 GLY H . . 6.040 4.708 4.383 5.054 . 0 0 "[ . 1 . 2]" 1
376 1 31 ILE H 1 31 ILE HB . . 3.020 2.306 2.164 2.438 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE H 1 31 ILE MD . . 5.040 2.715 2.030 3.838 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE H 1 31 ILE MG . . 4.360 3.667 3.640 3.688 . 0 0 "[ . 1 . 2]" 1
379 1 31 ILE H 1 32 GLY H . . 3.080 2.423 2.130 2.716 . 0 0 "[ . 1 . 2]" 1
380 1 31 ILE H 1 33 GLY H . . 5.500 5.132 4.855 5.418 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE H 1 54 VAL MG2 . . 6.530 4.003 3.443 4.326 . 0 0 "[ . 1 . 2]" 1
382 1 31 ILE HA 1 31 ILE MG . . 3.550 2.496 2.346 2.604 . 0 0 "[ . 1 . 2]" 1
383 1 31 ILE HA 1 33 GLY H . . 5.500 5.381 5.069 5.572 0.072 8 0 "[ . 1 . 2]" 1
384 1 31 ILE HA 1 107 LEU QD . . 6.240 4.355 4.068 4.618 . 0 0 "[ . 1 . 2]" 1
385 1 31 ILE HB 1 32 GLY H . . 2.960 2.530 2.282 2.822 . 0 0 "[ . 1 . 2]" 1
386 1 31 ILE HB 1 33 GLY H . . 4.040 3.864 3.271 4.109 0.069 20 0 "[ . 1 . 2]" 1
387 1 31 ILE HB 1 54 VAL MG2 . . 4.920 2.210 1.984 2.462 . 0 0 "[ . 1 . 2]" 1
388 1 31 ILE MD 1 54 VAL MG2 . . 5.350 2.459 2.051 3.587 . 0 0 "[ . 1 . 2]" 1
389 1 31 ILE MD 1 104 ASN QB . . 6.910 4.922 4.554 5.173 . 0 0 "[ . 1 . 2]" 1
390 1 31 ILE MD 1 114 LEU QB . . 7.400 4.470 4.101 5.315 . 0 0 "[ . 1 . 2]" 1
391 1 31 ILE MD 1 114 LEU MD1 . . 7.560 3.004 2.050 4.779 . 0 0 "[ . 1 . 2]" 1
392 1 31 ILE MD 1 114 LEU MD2 . . 7.560 2.455 2.022 3.715 . 0 0 "[ . 1 . 2]" 1
393 1 31 ILE MG 1 32 GLY H . . 4.260 2.979 2.770 3.357 . 0 0 "[ . 1 . 2]" 1
394 1 31 ILE MG 1 33 GLY H . . 3.430 2.589 2.548 2.642 . 0 0 "[ . 1 . 2]" 1
395 1 31 ILE MG 1 54 VAL HB . . 6.530 3.487 2.787 4.057 . 0 0 "[ . 1 . 2]" 1
396 1 31 ILE MG 1 54 VAL MG2 . . 5.230 1.961 1.869 2.192 . 0 0 "[ . 1 . 2]" 1
397 1 31 ILE MG 1 114 LEU MD2 . . 7.560 5.076 4.458 5.189 . 0 0 "[ . 1 . 2]" 1
398 1 32 GLY H 1 32 GLY HA2 . . 2.740 2.794 2.725 2.819 0.079 10 0 "[ . 1 . 2]" 1
399 1 32 GLY H 1 32 GLY HA3 . . 2.740 2.230 2.206 2.250 . 0 0 "[ . 1 . 2]" 1
400 1 32 GLY H 1 33 GLY H . . 3.140 2.985 2.853 3.188 0.048 4 0 "[ . 1 . 2]" 1
401 1 32 GLY H 1 54 VAL HB . . 4.260 3.036 2.291 3.390 . 0 0 "[ . 1 . 2]" 1
402 1 32 GLY H 1 54 VAL MG2 . . 6.530 3.422 2.933 3.886 . 0 0 "[ . 1 . 2]" 1
403 1 33 GLY H 1 34 ILE H . . 5.070 4.292 4.129 4.390 . 0 0 "[ . 1 . 2]" 1
404 1 33 GLY H 1 54 VAL H . . 5.500 3.587 3.128 4.243 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLY H 1 54 VAL HB . . 4.140 3.596 2.593 3.857 . 0 0 "[ . 1 . 2]" 1
406 1 33 GLY H 1 54 VAL MG2 . . 3.430 2.560 2.462 2.636 . 0 0 "[ . 1 . 2]" 1
407 1 33 GLY H 1 55 LYS HB2 . . 4.110 2.675 2.281 3.050 . 0 0 "[ . 1 . 2]" 1
408 1 33 GLY H 1 55 LYS HB3 . . 5.160 4.283 3.423 4.583 . 0 0 "[ . 1 . 2]" 1
409 1 33 GLY H 1 55 LYS QD . . 5.910 4.998 4.047 5.336 . 0 0 "[ . 1 . 2]" 1
410 1 33 GLY H 1 56 ASN H . . 5.500 5.584 5.567 5.594 0.094 12 0 "[ . 1 . 2]" 1
411 1 34 ILE H 1 34 ILE HB . . 3.920 2.650 2.481 2.859 . 0 0 "[ . 1 . 2]" 1
412 1 34 ILE H 1 70 ASP H . . 5.000 3.490 2.996 3.906 . 0 0 "[ . 1 . 2]" 1
413 1 34 ILE HA 1 35 PHE H . . 2.800 2.256 2.188 2.357 . 0 0 "[ . 1 . 2]" 1
414 1 34 ILE HA 1 54 VAL H . . 4.010 2.824 2.454 3.237 . 0 0 "[ . 1 . 2]" 1
415 1 34 ILE HB 1 35 PHE H . . 5.500 4.160 3.992 4.300 . 0 0 "[ . 1 . 2]" 1
416 1 34 ILE HB 1 69 ALA HA . . 3.580 2.638 2.295 2.945 . 0 0 "[ . 1 . 2]" 1
417 1 34 ILE HB 1 70 ASP H . . 2.990 2.596 2.177 3.007 0.017 3 0 "[ . 1 . 2]" 1
418 1 34 ILE MD 1 55 LYS HB3 . . 5.720 2.655 2.178 3.706 . 0 0 "[ . 1 . 2]" 1
419 1 34 ILE MD 1 55 LYS QG . . 6.420 3.882 3.108 4.690 . 0 0 "[ . 1 . 2]" 1
420 1 34 ILE MD 1 56 ASN HD21 . . 5.010 2.205 1.887 2.705 . 0 0 "[ . 1 . 2]" 1
421 1 34 ILE MD 1 56 ASN HD22 . . 4.080 2.854 2.322 3.344 . 0 0 "[ . 1 . 2]" 1
422 1 34 ILE MD 1 69 ALA HA . . 5.470 4.235 3.621 4.511 . 0 0 "[ . 1 . 2]" 1
423 1 34 ILE QG 1 35 PHE H . . 6.380 4.150 4.067 4.287 . 0 0 "[ . 1 . 2]" 1
424 1 34 ILE QG 1 51 VAL MG1 . . 5.110 3.711 3.464 3.826 . 0 0 "[ . 1 . 2]" 1
425 1 34 ILE QG 1 62 LEU MD1 . . 5.050 3.733 3.584 3.794 . 0 0 "[ . 1 . 2]" 1
426 1 34 ILE MG 1 35 PHE H . . 4.140 2.504 2.299 2.701 . 0 0 "[ . 1 . 2]" 1
427 1 34 ILE MG 1 35 PHE QD . . 6.450 4.634 4.415 4.746 . 0 0 "[ . 1 . 2]" 1
428 1 34 ILE MG 1 69 ALA H . . 5.880 4.381 4.128 4.688 . 0 0 "[ . 1 . 2]" 1
429 1 34 ILE MG 1 69 ALA HA . . 3.640 2.125 1.974 2.369 . 0 0 "[ . 1 . 2]" 1
430 1 34 ILE MG 1 69 ALA MB . . 5.510 2.326 2.125 2.905 . 0 0 "[ . 1 . 2]" 1
431 1 34 ILE MG 1 70 ASP H . . 3.990 3.145 2.960 3.250 . 0 0 "[ . 1 . 2]" 1
432 1 35 PHE H 1 35 PHE HB3 . . 3.610 3.328 3.166 3.453 . 0 0 "[ . 1 . 2]" 1
433 1 35 PHE H 1 52 VAL H . . 5.500 2.922 2.742 3.124 . 0 0 "[ . 1 . 2]" 1
434 1 35 PHE H 1 52 VAL MG1 . . 6.530 4.266 4.080 4.488 . 0 0 "[ . 1 . 2]" 1
435 1 35 PHE H 1 54 VAL MG2 . . 6.530 3.720 3.482 4.116 . 0 0 "[ . 1 . 2]" 1
436 1 35 PHE HA 1 36 ALA H . . 2.740 2.385 2.257 2.533 . 0 0 "[ . 1 . 2]" 1
437 1 35 PHE HB2 1 36 ALA H . . 4.970 2.408 2.167 2.615 . 0 0 "[ . 1 . 2]" 1
438 1 35 PHE HB2 1 52 VAL H . . 5.500 5.362 5.234 5.531 0.031 7 0 "[ . 1 . 2]" 1
439 1 35 PHE HB3 1 52 VAL H . . 5.500 5.567 5.455 5.584 0.084 2 0 "[ . 1 . 2]" 1
440 1 36 ALA H 1 69 ALA MB . . 3.550 2.848 2.510 2.987 . 0 0 "[ . 1 . 2]" 1
441 1 36 ALA H 1 71 CYS H . . 4.480 4.222 3.924 4.539 0.059 16 0 "[ . 1 . 2]" 1
442 1 36 ALA H 1 72 THR H . . 5.500 4.543 4.306 4.756 . 0 0 "[ . 1 . 2]" 1
443 1 36 ALA H 1 72 THR HA . . 3.360 2.110 1.914 2.352 . 0 0 "[ . 1 . 2]" 1
444 1 36 ALA H 1 72 THR MG . . 5.720 3.408 3.107 3.621 . 0 0 "[ . 1 . 2]" 1
445 1 36 ALA H 1 73 ILE H . . 5.310 4.199 3.284 4.850 . 0 0 "[ . 1 . 2]" 1
446 1 36 ALA HA 1 37 PHE H . . 2.680 2.285 2.147 2.513 . 0 0 "[ . 1 . 2]" 1
447 1 36 ALA HA 1 51 VAL HA . . 3.580 2.241 2.034 2.381 . 0 0 "[ . 1 . 2]" 1
448 1 36 ALA HA 1 51 VAL MG2 . . 5.970 3.417 2.915 3.841 . 0 0 "[ . 1 . 2]" 1
449 1 36 ALA HA 1 52 VAL H . . 3.700 3.376 3.078 3.640 . 0 0 "[ . 1 . 2]" 1
450 1 36 ALA MB 1 37 PHE H . . 4.080 2.736 2.308 3.175 . 0 0 "[ . 1 . 2]" 1
451 1 36 ALA MB 1 49 THR MG . . 7.000 2.006 1.911 2.159 . 0 0 "[ . 1 . 2]" 1
452 1 36 ALA MB 1 51 VAL MG2 . . 7.490 2.648 2.208 3.073 . 0 0 "[ . 1 . 2]" 1
453 1 36 ALA MB 1 69 ALA MB . . 4.730 2.402 2.120 2.746 . 0 0 "[ . 1 . 2]" 1
454 1 36 ALA MB 1 72 THR H . . 6.530 5.100 4.830 5.362 . 0 0 "[ . 1 . 2]" 1
455 1 36 ALA MB 1 72 THR MG . . 5.910 2.215 2.037 2.473 . 0 0 "[ . 1 . 2]" 1
456 1 36 ALA MB 1 73 ILE H . . 5.810 4.209 3.902 4.718 . 0 0 "[ . 1 . 2]" 1
457 1 37 PHE H 1 37 PHE HB2 . . 3.390 2.378 2.296 2.570 . 0 0 "[ . 1 . 2]" 1
458 1 37 PHE H 1 37 PHE HB3 . . 3.950 3.588 3.415 3.725 . 0 0 "[ . 1 . 2]" 1
459 1 37 PHE H 1 49 THR MG . . 6.120 2.236 1.764 2.824 . 0 0 "[ . 1 . 2]" 1
460 1 37 PHE H 1 50 TRP H . . 3.920 2.778 2.504 3.334 . 0 0 "[ . 1 . 2]" 1
461 1 37 PHE H 1 51 VAL HA . . 4.380 3.670 3.401 4.060 . 0 0 "[ . 1 . 2]" 1
462 1 37 PHE H 1 51 VAL MG2 . . 6.530 4.379 3.845 4.899 . 0 0 "[ . 1 . 2]" 1
463 1 37 PHE H 1 52 VAL H . . 5.500 5.026 4.334 5.561 0.061 13 0 "[ . 1 . 2]" 1
464 1 37 PHE HA 1 38 LYS H . . 2.620 2.350 2.291 2.428 . 0 0 "[ . 1 . 2]" 1
465 1 37 PHE HA 1 73 ILE H . . 3.920 3.371 3.034 3.657 . 0 0 "[ . 1 . 2]" 1
466 1 37 PHE HB3 1 38 LYS H . . 5.500 3.931 3.564 4.135 . 0 0 "[ . 1 . 2]" 1
467 1 37 PHE HB3 1 50 TRP H . . 5.500 3.746 3.091 4.044 . 0 0 "[ . 1 . 2]" 1
468 1 37 PHE QD 1 38 LYS H . . 7.620 4.261 3.981 4.478 . 0 0 "[ . 1 . 2]" 1
469 1 37 PHE QD 1 73 ILE MG . . 7.470 2.206 1.998 2.629 . 0 0 "[ . 1 . 2]" 1
470 1 37 PHE QD 1 80 PHE QE . . 8.350 2.701 2.261 3.409 . 0 0 "[ . 1 . 2]" 1
471 1 37 PHE QE 1 49 THR MG . . 8.650 6.336 6.250 6.397 . 0 0 "[ . 1 . 2]" 1
472 1 37 PHE QE 1 52 VAL HB . . 6.690 4.721 4.456 5.057 . 0 0 "[ . 1 . 2]" 1
473 1 37 PHE QE 1 52 VAL MG2 . . 6.510 2.386 2.089 3.036 . 0 0 "[ . 1 . 2]" 1
474 1 37 PHE QE 1 73 ILE MG . . 8.650 3.231 2.845 3.496 . 0 0 "[ . 1 . 2]" 1
475 1 37 PHE QE 1 80 PHE QE . . 8.840 2.957 2.474 3.497 . 0 0 "[ . 1 . 2]" 1
476 1 38 LYS H 1 38 LYS HB2 . . 3.580 2.321 2.124 2.947 . 0 0 "[ . 1 . 2]" 1
477 1 38 LYS H 1 38 LYS QB . . 3.370 2.191 2.104 2.340 . 0 0 "[ . 1 . 2]" 1
478 1 38 LYS H 1 38 LYS HB3 . . 3.580 3.046 2.315 3.440 . 0 0 "[ . 1 . 2]" 1
479 1 38 LYS H 1 73 ILE MG . . 6.530 2.859 2.624 3.102 . 0 0 "[ . 1 . 2]" 1
480 1 38 LYS H 1 74 THR HA . . 3.790 3.559 2.684 3.854 0.064 1 0 "[ . 1 . 2]" 1
481 1 38 LYS H 1 75 MET H . . 5.250 4.613 3.970 5.305 0.055 3 0 "[ . 1 . 2]" 1
482 1 38 LYS HA 1 39 VAL H . . 2.590 2.187 2.093 2.275 . 0 0 "[ . 1 . 2]" 1
483 1 38 LYS HA 1 49 THR HA . . 3.480 3.562 3.540 3.580 0.100 9 0 "[ . 1 . 2]" 1
484 1 38 LYS HA 1 49 THR MG . . 6.530 3.495 3.126 3.868 . 0 0 "[ . 1 . 2]" 1
485 1 38 LYS HA 1 50 TRP H . . 5.160 5.087 4.844 5.243 0.083 2 0 "[ . 1 . 2]" 1
486 1 38 LYS QB 1 39 VAL H . . 5.760 3.874 3.680 4.085 . 0 0 "[ . 1 . 2]" 1
487 1 38 LYS QB 1 73 ILE MG . . 5.610 4.038 3.976 4.103 . 0 0 "[ . 1 . 2]" 1
488 1 38 LYS QB 1 74 THR MG . . 5.080 3.290 2.720 3.778 . 0 0 "[ . 1 . 2]" 1
489 1 38 LYS QG 1 39 VAL H . . 6.000 3.760 2.742 4.460 . 0 0 "[ . 1 . 2]" 1
490 1 39 VAL H 1 39 VAL HB . . 3.210 2.645 2.281 2.846 . 0 0 "[ . 1 . 2]" 1
491 1 39 VAL H 1 39 VAL MG2 . . 4.020 2.489 2.059 3.191 . 0 0 "[ . 1 . 2]" 1
492 1 39 VAL H 1 48 ALA H . . 3.520 3.388 3.052 3.587 0.067 6 0 "[ . 1 . 2]" 1
493 1 39 VAL H 1 49 THR HA . . 3.390 3.204 2.801 3.453 0.063 10 0 "[ . 1 . 2]" 1
494 1 39 VAL H 1 49 THR MG . . 6.530 4.437 4.099 4.729 . 0 0 "[ . 1 . 2]" 1
495 1 39 VAL HA 1 40 LYS H . . 2.590 2.247 2.110 2.376 . 0 0 "[ . 1 . 2]" 1
496 1 39 VAL HA 1 75 MET H . . 3.670 3.749 3.629 3.777 0.107 3 0 "[ . 1 . 2]" 1
497 1 39 VAL MG1 1 40 LYS H . . 4.230 3.238 2.742 3.469 . 0 0 "[ . 1 . 2]" 1
498 1 39 VAL MG1 1 77 ASP H . . 4.020 2.674 2.405 3.241 . 0 0 "[ . 1 . 2]" 1
499 1 39 VAL MG1 1 77 ASP HA . . 4.670 2.264 2.017 2.604 . 0 0 "[ . 1 . 2]" 1
500 1 39 VAL MG1 1 77 ASP HB2 . . 6.500 2.375 2.025 2.862 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL MG1 1 78 SER H . . 5.810 4.462 4.317 4.798 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL MG2 1 40 LYS H . . 6.120 4.395 3.821 4.620 . 0 0 "[ . 1 . 2]" 1
503 1 40 LYS H 1 40 LYS HB2 . . 4.040 3.676 3.587 3.804 . 0 0 "[ . 1 . 2]" 1
504 1 40 LYS H 1 40 LYS HB3 . . 3.300 3.344 3.219 3.390 0.090 4 0 "[ . 1 . 2]" 1
505 1 40 LYS H 1 40 LYS QG . . 4.450 2.156 1.927 2.487 . 0 0 "[ . 1 . 2]" 1
506 1 40 LYS H 1 41 ASP H . . 5.500 4.389 4.302 4.535 . 0 0 "[ . 1 . 2]" 1
507 1 40 LYS H 1 75 MET H . . 5.500 4.391 4.025 4.782 . 0 0 "[ . 1 . 2]" 1
508 1 40 LYS H 1 76 ALA HA . . 3.140 2.240 1.752 3.178 0.038 3 0 "[ . 1 . 2]" 1
509 1 40 LYS H 1 77 ASP H . . 4.070 3.536 3.214 4.022 . 0 0 "[ . 1 . 2]" 1
510 1 40 LYS HA 1 41 ASP H . . 2.800 2.489 2.406 2.665 . 0 0 "[ . 1 . 2]" 1
511 1 40 LYS HA 1 42 GLY H . . 4.760 3.826 3.368 4.526 . 0 0 "[ . 1 . 2]" 1
512 1 40 LYS HA 1 47 GLU HA . . 3.920 2.318 1.953 2.726 . 0 0 "[ . 1 . 2]" 1
513 1 40 LYS HA 1 47 GLU QB . . 5.450 2.855 1.982 4.041 . 0 0 "[ . 1 . 2]" 1
514 1 40 LYS HA 1 48 ALA H . . 4.010 3.723 3.433 4.073 0.063 4 0 "[ . 1 . 2]" 1
515 1 40 LYS HB2 1 41 ASP H . . 2.990 2.127 1.895 2.311 . 0 0 "[ . 1 . 2]" 1
516 1 40 LYS HB3 1 41 ASP H . . 3.240 3.312 3.278 3.324 0.084 6 0 "[ . 1 . 2]" 1
517 1 40 LYS QD 1 41 ASP H . . 5.940 4.300 3.488 5.030 . 0 0 "[ . 1 . 2]" 1
518 1 40 LYS QG 1 41 ASP H . . 4.920 3.863 3.479 4.195 . 0 0 "[ . 1 . 2]" 1
519 1 40 LYS QG 1 76 ALA MB . . 7.400 3.257 2.529 4.244 . 0 0 "[ . 1 . 2]" 1
520 1 41 ASP H 1 41 ASP HA . . 2.650 2.272 2.209 2.348 . 0 0 "[ . 1 . 2]" 1
521 1 41 ASP H 1 41 ASP HB2 . . 3.580 2.901 2.622 3.094 . 0 0 "[ . 1 . 2]" 1
522 1 41 ASP H 1 41 ASP HB3 . . 3.670 3.677 3.389 3.751 0.081 5 0 "[ . 1 . 2]" 1
523 1 41 ASP H 1 42 GLY H . . 3.170 2.898 2.736 3.157 . 0 0 "[ . 1 . 2]" 1
524 1 41 ASP H 1 47 GLU HA . . 4.290 4.064 3.728 4.367 0.077 9 0 "[ . 1 . 2]" 1
525 1 41 ASP H 1 47 GLU QB . . 5.790 4.223 3.316 5.124 . 0 0 "[ . 1 . 2]" 1
526 1 41 ASP HA 1 42 GLY H . . 2.930 2.666 2.412 2.972 0.042 11 0 "[ . 1 . 2]" 1
527 1 41 ASP HA 1 45 GLY H . . 4.010 4.058 3.803 4.094 0.084 2 0 "[ . 1 . 2]" 1
528 1 41 ASP HB2 1 42 GLY H . . 4.690 4.575 4.438 4.697 0.007 18 0 "[ . 1 . 2]" 1
529 1 41 ASP HB2 1 76 ALA MB . . 4.920 3.356 2.975 3.822 . 0 0 "[ . 1 . 2]" 1
530 1 41 ASP HB2 1 77 ASP H . . 5.000 4.678 4.242 5.058 0.058 16 0 "[ . 1 . 2]" 1
531 1 41 ASP HB2 1 78 SER H . . 5.500 5.539 5.291 5.588 0.088 14 0 "[ . 1 . 2]" 1
532 1 41 ASP HB3 1 42 GLY H . . 5.160 4.315 4.069 4.433 . 0 0 "[ . 1 . 2]" 1
533 1 41 ASP HB3 1 76 ALA MB . . 4.360 2.355 2.105 2.845 . 0 0 "[ . 1 . 2]" 1
534 1 42 GLY H 1 47 GLU HA . . 5.190 4.287 3.403 5.263 0.073 5 0 "[ . 1 . 2]" 1
535 1 42 GLY QA 1 44 GLY H . . 5.760 4.063 2.704 5.036 . 0 0 "[ . 1 . 2]" 1
536 1 42 GLY QA 1 45 GLY H . . 4.400 3.546 2.571 3.951 . 0 0 "[ . 1 . 2]" 1
537 1 43 PRO QG 1 81 LEU MD1 . . 7.410 5.282 4.808 5.437 . 0 0 "[ . 1 . 2]" 1
538 1 44 GLY H 1 45 GLY H . . 5.250 2.404 1.732 3.538 . 0 0 "[ . 1 . 2]" 1
539 1 44 GLY QA 1 46 LYS H . . 6.380 3.470 2.925 4.619 . 0 0 "[ . 1 . 2]" 1
540 1 45 GLY H 1 45 GLY HA2 . . 2.930 2.955 2.915 2.992 0.062 3 0 "[ . 1 . 2]" 1
541 1 45 GLY H 1 45 GLY HA3 . . 2.930 2.377 2.294 2.560 . 0 0 "[ . 1 . 2]" 1
542 1 45 GLY H 1 46 LYS H . . 2.900 2.309 2.001 2.845 . 0 0 "[ . 1 . 2]" 1
543 1 45 GLY H 1 46 LYS HB2 . . 4.040 4.119 4.075 4.137 0.097 6 0 "[ . 1 . 2]" 1
544 1 46 LYS H 1 46 LYS HB2 . . 3.020 2.283 2.104 2.544 . 0 0 "[ . 1 . 2]" 1
545 1 46 LYS H 1 46 LYS HB3 . . 3.610 3.530 3.453 3.633 0.023 5 0 "[ . 1 . 2]" 1
546 1 46 LYS H 1 46 LYS HG2 . . 4.070 3.512 2.442 4.135 0.065 7 0 "[ . 1 . 2]" 1
547 1 46 LYS H 1 46 LYS QG . . 3.600 2.493 2.058 3.113 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS H 1 46 LYS HG3 . . 4.070 2.645 2.100 3.754 . 0 0 "[ . 1 . 2]" 1
549 1 46 LYS H 1 47 GLU H . . 4.510 4.468 4.298 4.578 0.068 19 0 "[ . 1 . 2]" 1
550 1 46 LYS HB2 1 47 GLU H . . 3.170 3.236 3.116 3.261 0.091 17 0 "[ . 1 . 2]" 1
551 1 46 LYS HB3 1 47 GLU H . . 3.270 2.011 1.883 2.151 . 0 0 "[ . 1 . 2]" 1
552 1 46 LYS QG 1 47 GLU H . . 4.750 3.762 3.504 4.023 . 0 0 "[ . 1 . 2]" 1
553 1 46 LYS HG2 1 47 GLU H . . 5.500 4.023 3.779 4.525 . 0 0 "[ . 1 . 2]" 1
554 1 46 LYS HG3 1 47 GLU H . . 5.500 4.588 3.970 4.838 . 0 0 "[ . 1 . 2]" 1
555 1 47 GLU H 1 47 GLU QB . . 3.710 2.857 2.376 3.273 . 0 0 "[ . 1 . 2]" 1
556 1 47 GLU H 1 47 GLU QG . . 4.490 3.337 2.313 4.066 . 0 0 "[ . 1 . 2]" 1
557 1 47 GLU H 1 48 ALA H . . 4.940 4.369 3.990 4.547 . 0 0 "[ . 1 . 2]" 1
558 1 47 GLU HA 1 48 ALA H . . 2.590 2.294 2.119 2.496 . 0 0 "[ . 1 . 2]" 1
559 1 47 GLU QB 1 48 ALA H . . 4.240 3.006 2.302 3.845 . 0 0 "[ . 1 . 2]" 1
560 1 48 ALA HA 1 49 THR H . . 2.490 2.501 2.414 2.560 0.070 6 0 "[ . 1 . 2]" 1
561 1 48 ALA MB 1 49 THR H . . 3.580 2.406 2.173 2.645 . 0 0 "[ . 1 . 2]" 1
562 1 49 THR H 1 49 THR HB . . 3.080 2.926 2.809 3.109 0.029 2 0 "[ . 1 . 2]" 1
563 1 49 THR H 1 50 TRP H . . 4.820 4.194 3.703 4.338 . 0 0 "[ . 1 . 2]" 1
564 1 49 THR H 1 64 ASN HA . . 5.440 4.306 3.539 4.887 . 0 0 "[ . 1 . 2]" 1
565 1 49 THR HA 1 50 TRP H . . 2.620 2.271 2.090 2.398 . 0 0 "[ . 1 . 2]" 1
566 1 49 THR HB 1 50 TRP H . . 4.350 4.085 3.834 4.390 0.040 3 0 "[ . 1 . 2]" 1
567 1 49 THR MG 1 50 TRP H . . 4.020 2.414 2.108 3.002 . 0 0 "[ . 1 . 2]" 1
568 1 49 THR MG 1 51 VAL MG2 . . 7.560 2.617 2.364 2.982 . 0 0 "[ . 1 . 2]" 1
569 1 49 THR MG 1 64 ASN H . . 6.530 5.141 4.681 5.344 . 0 0 "[ . 1 . 2]" 1
570 1 49 THR MG 1 65 SER H . . 6.030 4.805 4.448 4.896 . 0 0 "[ . 1 . 2]" 1
571 1 50 TRP H 1 50 TRP HB2 . . 3.950 2.406 2.221 2.522 . 0 0 "[ . 1 . 2]" 1
572 1 50 TRP H 1 50 TRP QB . . 3.680 2.361 2.195 2.467 . 0 0 "[ . 1 . 2]" 1
573 1 50 TRP H 1 50 TRP HB3 . . 3.950 3.438 3.402 3.493 . 0 0 "[ . 1 . 2]" 1
574 1 50 TRP H 1 50 TRP HE3 . . 3.080 3.081 2.729 3.158 0.078 1 0 "[ . 1 . 2]" 1
575 1 50 TRP HA 1 51 VAL H . . 2.900 2.364 2.233 2.490 . 0 0 "[ . 1 . 2]" 1
576 1 50 TRP HA 1 63 PRO HA . . 3.580 2.960 2.332 3.658 0.078 8 0 "[ . 1 . 2]" 1
577 1 50 TRP HA 1 64 ASN H . . 4.010 3.005 2.292 3.617 . 0 0 "[ . 1 . 2]" 1
578 1 50 TRP HA 1 65 SER H . . 5.500 4.090 3.715 4.485 . 0 0 "[ . 1 . 2]" 1
579 1 50 TRP QB 1 51 VAL H . . 5.260 3.178 2.741 3.591 . 0 0 "[ . 1 . 2]" 1
580 1 50 TRP HD1 1 61 VAL MG1 . . 3.920 2.010 1.882 2.138 . 0 0 "[ . 1 . 2]" 1
581 1 50 TRP HD1 1 63 PRO HA . . 5.500 3.523 2.800 4.187 . 0 0 "[ . 1 . 2]" 1
582 1 50 TRP HE1 1 61 VAL MG1 . . 4.760 3.743 3.393 3.915 . 0 0 "[ . 1 . 2]" 1
583 1 50 TRP HE1 1 63 PRO HA . . 4.420 4.158 3.582 4.485 0.065 20 0 "[ . 1 . 2]" 1
584 1 50 TRP HE1 1 63 PRO QB . . 4.520 2.922 2.382 3.967 . 0 0 "[ . 1 . 2]" 1
585 1 51 VAL H 1 51 VAL HB . . 3.020 2.582 2.401 2.778 . 0 0 "[ . 1 . 2]" 1
586 1 51 VAL H 1 51 VAL MG2 . . 4.110 2.599 2.206 2.829 . 0 0 "[ . 1 . 2]" 1
587 1 51 VAL H 1 52 VAL H . . 5.500 4.472 4.252 4.621 . 0 0 "[ . 1 . 2]" 1
588 1 51 VAL H 1 62 LEU H . . 4.320 3.385 2.772 4.023 . 0 0 "[ . 1 . 2]" 1
589 1 51 VAL H 1 62 LEU HB2 . . 5.500 3.673 3.212 4.218 . 0 0 "[ . 1 . 2]" 1
590 1 51 VAL H 1 62 LEU QB . . 5.120 3.562 3.145 4.095 . 0 0 "[ . 1 . 2]" 1
591 1 51 VAL H 1 62 LEU HB3 . . 5.500 4.820 4.258 5.540 0.040 18 0 "[ . 1 . 2]" 1
592 1 51 VAL H 1 63 PRO HA . . 3.950 3.481 3.078 3.979 0.029 18 0 "[ . 1 . 2]" 1
593 1 51 VAL H 1 65 SER H . . 5.220 3.731 3.333 4.251 . 0 0 "[ . 1 . 2]" 1
594 1 51 VAL H 1 65 SER HB2 . . 5.500 4.350 3.752 5.041 . 0 0 "[ . 1 . 2]" 1
595 1 51 VAL H 1 65 SER QB . . 5.040 3.825 3.498 4.540 . 0 0 "[ . 1 . 2]" 1
596 1 51 VAL H 1 65 SER HB3 . . 5.500 4.367 3.835 5.421 . 0 0 "[ . 1 . 2]" 1
597 1 51 VAL HA 1 51 VAL MG2 . . 3.740 2.523 2.449 2.631 . 0 0 "[ . 1 . 2]" 1
598 1 51 VAL HA 1 52 VAL H . . 2.770 2.317 2.221 2.410 . 0 0 "[ . 1 . 2]" 1
599 1 51 VAL HB 1 62 LEU H . . 4.510 3.480 2.903 3.859 . 0 0 "[ . 1 . 2]" 1
600 1 51 VAL HB 1 62 LEU HB2 . . 4.260 2.149 2.022 2.402 . 0 0 "[ . 1 . 2]" 1
601 1 51 VAL HB 1 62 LEU QB . . 3.820 2.124 1.999 2.375 . 0 0 "[ . 1 . 2]" 1
602 1 51 VAL HB 1 62 LEU HB3 . . 4.260 3.415 2.696 3.932 . 0 0 "[ . 1 . 2]" 1
603 1 51 VAL HB 1 62 LEU MD1 . . 6.530 3.120 2.592 3.581 . 0 0 "[ . 1 . 2]" 1
604 1 51 VAL HB 1 65 SER H . . 5.160 3.950 3.207 4.553 . 0 0 "[ . 1 . 2]" 1
605 1 51 VAL MG1 1 52 VAL H . . 3.830 2.619 2.381 3.077 . 0 0 "[ . 1 . 2]" 1
606 1 51 VAL MG1 1 53 ASP H . . 5.230 4.051 3.803 4.168 . 0 0 "[ . 1 . 2]" 1
607 1 51 VAL MG1 1 62 LEU H . . 6.220 4.184 3.577 4.579 . 0 0 "[ . 1 . 2]" 1
608 1 51 VAL MG1 1 67 LYS H . . 6.000 4.548 4.177 4.857 . 0 0 "[ . 1 . 2]" 1
609 1 51 VAL MG1 1 67 LYS QB . . 5.880 2.800 2.270 4.015 . 0 0 "[ . 1 . 2]" 1
610 1 51 VAL MG2 1 52 VAL H . . 5.470 4.233 4.095 4.414 . 0 0 "[ . 1 . 2]" 1
611 1 51 VAL MG2 1 62 LEU QB . . 7.410 3.460 3.279 3.698 . 0 0 "[ . 1 . 2]" 1
612 1 51 VAL MG2 1 65 SER H . . 4.610 2.811 2.311 3.438 . 0 0 "[ . 1 . 2]" 1
613 1 51 VAL MG2 1 65 SER QB . . 5.270 2.255 1.893 2.617 . 0 0 "[ . 1 . 2]" 1
614 1 51 VAL MG2 1 66 ASP H . . 5.810 4.774 4.741 4.799 . 0 0 "[ . 1 . 2]" 1
615 1 51 VAL MG2 1 67 LYS H . . 5.260 3.829 3.353 4.208 . 0 0 "[ . 1 . 2]" 1
616 1 51 VAL MG2 1 69 ALA MB . . 7.560 3.641 3.160 4.184 . 0 0 "[ . 1 . 2]" 1
617 1 52 VAL H 1 52 VAL HB . . 3.670 2.624 2.448 2.801 . 0 0 "[ . 1 . 2]" 1
618 1 52 VAL HA 1 53 ASP H . . 2.620 2.208 2.134 2.274 . 0 0 "[ . 1 . 2]" 1
619 1 52 VAL HA 1 62 LEU H . . 4.010 3.356 3.166 3.798 . 0 0 "[ . 1 . 2]" 1
620 1 52 VAL MG1 1 53 ASP H . . 4.050 3.139 2.912 3.295 . 0 0 "[ . 1 . 2]" 1
621 1 52 VAL MG1 1 54 VAL MG2 . . 4.460 2.130 1.995 2.333 . 0 0 "[ . 1 . 2]" 1
622 1 52 VAL MG1 1 60 SER H . . 6.530 4.360 3.879 4.916 . 0 0 "[ . 1 . 2]" 1
623 1 52 VAL MG1 1 114 LEU MD1 . . 7.560 4.448 3.506 5.132 . 0 0 "[ . 1 . 2]" 1
624 1 52 VAL MG1 1 114 LEU MD2 . . 7.560 4.253 3.679 4.868 . 0 0 "[ . 1 . 2]" 1
625 1 52 VAL MG2 1 53 ASP H . . 5.940 4.305 4.183 4.472 . 0 0 "[ . 1 . 2]" 1
626 1 52 VAL MG2 1 54 VAL MG2 . . 6.250 4.205 4.026 4.261 . 0 0 "[ . 1 . 2]" 1
627 1 52 VAL MG2 1 61 VAL MG1 . . 6.470 2.204 1.979 2.439 . 0 0 "[ . 1 . 2]" 1
628 1 52 VAL MG2 1 61 VAL MG2 . . 6.130 2.430 2.112 3.582 . 0 0 "[ . 1 . 2]" 1
629 1 53 ASP H 1 53 ASP HB2 . . 3.330 2.535 2.260 2.831 . 0 0 "[ . 1 . 2]" 1
630 1 53 ASP H 1 53 ASP QB . . 3.130 2.348 2.172 2.494 . 0 0 "[ . 1 . 2]" 1
631 1 53 ASP H 1 53 ASP HB3 . . 3.330 2.815 2.523 3.094 . 0 0 "[ . 1 . 2]" 1
632 1 53 ASP H 1 60 SER H . . 3.520 3.308 3.191 3.564 0.044 12 0 "[ . 1 . 2]" 1
633 1 53 ASP H 1 61 VAL HA . . 3.920 2.756 2.537 3.092 . 0 0 "[ . 1 . 2]" 1
634 1 53 ASP HA 1 54 VAL H . . 3.110 2.230 2.082 2.725 . 0 0 "[ . 1 . 2]" 1
635 1 53 ASP HA 1 55 LYS H . . 4.200 3.685 3.436 4.136 . 0 0 "[ . 1 . 2]" 1
636 1 53 ASP QB 1 60 SER H . . 3.410 2.376 2.146 2.712 . 0 0 "[ . 1 . 2]" 1
637 1 53 ASP HB2 1 60 SER H . . 3.730 3.800 3.682 3.831 0.101 4 0 "[ . 1 . 2]" 1
638 1 53 ASP HB3 1 60 SER H . . 3.730 2.404 2.158 2.792 . 0 0 "[ . 1 . 2]" 1
639 1 54 VAL H 1 54 VAL MG2 . . 4.330 2.289 1.787 2.451 . 0 0 "[ . 1 . 2]" 1
640 1 54 VAL H 1 55 LYS H . . 3.550 2.702 2.267 3.593 0.043 10 0 "[ . 1 . 2]" 1
641 1 54 VAL HA 1 54 VAL MG1 . . 3.740 2.233 2.166 2.284 . 0 0 "[ . 1 . 2]" 1
642 1 54 VAL HA 1 55 LYS H . . 3.360 2.636 2.473 2.978 . 0 0 "[ . 1 . 2]" 1
643 1 54 VAL HA 1 56 ASN H . . 4.290 4.324 4.078 4.377 0.087 18 0 "[ . 1 . 2]" 1
644 1 54 VAL HA 1 59 GLY H . . 5.220 4.753 4.276 5.193 . 0 0 "[ . 1 . 2]" 1
645 1 54 VAL HA 1 60 SER H . . 5.160 4.094 3.731 4.582 . 0 0 "[ . 1 . 2]" 1
646 1 54 VAL HB 1 55 LYS H . . 5.500 4.438 4.268 4.520 . 0 0 "[ . 1 . 2]" 1
647 1 54 VAL MG1 1 60 SER H . . 5.910 3.944 3.467 4.630 . 0 0 "[ . 1 . 2]" 1
648 1 54 VAL MG2 1 114 LEU MD1 . . 7.560 4.773 4.163 5.095 . 0 0 "[ . 1 . 2]" 1
649 1 55 LYS H 1 55 LYS HB2 . . 3.860 3.128 2.822 3.626 . 0 0 "[ . 1 . 2]" 1
650 1 55 LYS H 1 55 LYS HB3 . . 3.480 2.981 2.788 3.259 . 0 0 "[ . 1 . 2]" 1
651 1 55 LYS HA 1 56 ASN H . . 3.580 3.574 3.479 3.626 0.046 8 0 "[ . 1 . 2]" 1
652 1 55 LYS HB2 1 56 ASN H . . 4.010 3.687 3.260 4.077 0.067 17 0 "[ . 1 . 2]" 1
653 1 55 LYS HB3 1 56 ASN H . . 3.240 2.589 2.367 3.109 . 0 0 "[ . 1 . 2]" 1
654 1 55 LYS HB3 1 56 ASN HD22 . . 5.470 3.999 3.405 5.331 . 0 0 "[ . 1 . 2]" 1
655 1 55 LYS QD 1 56 ASN H . . 6.380 4.021 2.484 5.040 . 0 0 "[ . 1 . 2]" 1
656 1 55 LYS QD 1 56 ASN HD22 . . 5.320 3.655 2.376 4.701 . 0 0 "[ . 1 . 2]" 1
657 1 56 ASN H 1 56 ASN HB2 . . 3.050 2.190 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
658 1 56 ASN H 1 56 ASN HB3 . . 3.360 3.442 3.420 3.452 0.092 12 0 "[ . 1 . 2]" 1
659 1 56 ASN H 1 56 ASN HD21 . . 3.790 2.899 2.522 3.282 . 0 0 "[ . 1 . 2]" 1
660 1 56 ASN H 1 56 ASN HD22 . . 4.380 4.333 4.118 4.461 0.081 15 0 "[ . 1 . 2]" 1
661 1 56 ASN HA 1 57 GLY H . . 2.710 2.257 2.171 2.361 . 0 0 "[ . 1 . 2]" 1
662 1 56 ASN HB2 1 56 ASN HD21 . . 3.110 2.299 2.180 2.629 . 0 0 "[ . 1 . 2]" 1
663 1 56 ASN HB2 1 56 ASN HD22 . . 3.700 3.571 3.511 3.642 . 0 0 "[ . 1 . 2]" 1
664 1 56 ASN HB2 1 57 GLY H . . 4.660 4.414 4.134 4.669 0.009 7 0 "[ . 1 . 2]" 1
665 1 56 ASN HB3 1 57 GLY H . . 3.760 3.399 2.896 3.839 0.079 7 0 "[ . 1 . 2]" 1
666 1 57 GLY H 1 57 GLY HA3 . . 2.770 2.292 2.232 2.329 . 0 0 "[ . 1 . 2]" 1
667 1 57 GLY H 1 58 LYS H . . 4.510 4.563 4.498 4.592 0.082 18 0 "[ . 1 . 2]" 1
668 1 57 GLY H 1 59 GLY H . . 5.250 4.626 4.270 5.010 . 0 0 "[ . 1 . 2]" 1
669 1 57 GLY HA2 1 58 LYS H . . 2.710 2.183 2.125 2.245 . 0 0 "[ . 1 . 2]" 1
670 1 57 GLY HA2 1 59 GLY H . . 3.610 3.237 3.038 3.556 . 0 0 "[ . 1 . 2]" 1
671 1 57 GLY HA3 1 58 LYS H . . 3.390 3.137 2.925 3.364 . 0 0 "[ . 1 . 2]" 1
672 1 57 GLY HA3 1 59 GLY H . . 4.320 4.382 4.213 4.416 0.096 1 0 "[ . 1 . 2]" 1
673 1 58 LYS H 1 58 LYS HB2 . . 3.080 2.902 2.272 3.051 . 0 0 "[ . 1 . 2]" 1
674 1 58 LYS H 1 58 LYS HB3 . . 3.670 3.711 3.455 3.752 0.082 16 0 "[ . 1 . 2]" 1
675 1 58 LYS H 1 58 LYS HG2 . . 4.010 3.161 2.035 4.093 0.083 18 0 "[ . 1 . 2]" 1
676 1 58 LYS H 1 58 LYS QG . . 3.700 2.347 1.994 3.293 . 0 0 "[ . 1 . 2]" 1
677 1 58 LYS H 1 58 LYS HG3 . . 4.010 2.761 2.012 3.926 . 0 0 "[ . 1 . 2]" 1
678 1 58 LYS H 1 59 GLY H . . 2.740 2.465 2.085 2.786 0.046 19 0 "[ . 1 . 2]" 1
679 1 58 LYS HB2 1 59 GLY H . . 4.070 3.826 3.606 4.077 0.007 2 0 "[ . 1 . 2]" 1
680 1 58 LYS HB3 1 59 GLY H . . 5.190 4.585 4.168 4.728 . 0 0 "[ . 1 . 2]" 1
681 1 58 LYS QG 1 59 GLY H . . 5.200 4.332 4.094 4.698 . 0 0 "[ . 1 . 2]" 1
682 1 58 LYS HG2 1 59 GLY H . . 5.500 5.093 4.424 5.591 0.091 15 0 "[ . 1 . 2]" 1
683 1 58 LYS HG3 1 59 GLY H . . 5.500 4.866 4.284 5.582 0.082 6 0 "[ . 1 . 2]" 1
684 1 59 GLY H 1 60 SER H . . 4.070 4.160 4.149 4.166 0.096 1 0 "[ . 1 . 2]" 1
685 1 60 SER H 1 60 SER HA . . 2.680 2.751 2.527 2.784 0.104 14 0 "[ . 1 . 2]" 1
686 1 60 SER H 1 60 SER HB2 . . 4.010 3.155 2.899 3.543 . 0 0 "[ . 1 . 2]" 1
687 1 60 SER H 1 60 SER QB . . 3.850 3.041 2.820 3.344 . 0 0 "[ . 1 . 2]" 1
688 1 60 SER H 1 60 SER HB3 . . 4.010 3.993 3.856 4.101 0.091 12 0 "[ . 1 . 2]" 1
689 1 60 SER HA 1 61 VAL H . . 2.430 2.388 2.194 2.509 0.079 7 0 "[ . 1 . 2]" 1
690 1 60 SER QB 1 61 VAL H . . 3.730 2.546 2.219 3.042 . 0 0 "[ . 1 . 2]" 1
691 1 60 SER QB 1 62 LEU MD2 . . 4.950 3.497 3.230 3.607 . 0 0 "[ . 1 . 2]" 1
692 1 60 SER HB2 1 61 VAL H . . 3.980 3.752 3.176 4.016 0.036 2 0 "[ . 1 . 2]" 1
693 1 60 SER HB2 1 62 LEU MD2 . . 5.100 3.777 3.362 4.133 . 0 0 "[ . 1 . 2]" 1
694 1 60 SER HB3 1 61 VAL H . . 3.980 2.596 2.240 3.166 . 0 0 "[ . 1 . 2]" 1
695 1 60 SER HB3 1 62 LEU MD2 . . 5.100 4.161 3.976 4.196 . 0 0 "[ . 1 . 2]" 1
696 1 61 VAL H 1 61 VAL HB . . 2.770 2.534 2.345 2.757 . 0 0 "[ . 1 . 2]" 1
697 1 61 VAL H 1 61 VAL MG2 . . 4.050 2.478 2.185 2.730 . 0 0 "[ . 1 . 2]" 1
698 1 61 VAL H 1 62 LEU H . . 5.130 4.406 3.851 4.554 . 0 0 "[ . 1 . 2]" 1
699 1 61 VAL H 1 62 LEU MD1 . . 6.530 5.376 5.015 5.451 . 0 0 "[ . 1 . 2]" 1
700 1 61 VAL HA 1 62 LEU H . . 2.550 2.270 2.043 2.405 . 0 0 "[ . 1 . 2]" 1
701 1 61 VAL HB 1 62 LEU H . . 5.500 3.874 3.461 4.472 . 0 0 "[ . 1 . 2]" 1
702 1 61 VAL MG1 1 62 LEU H . . 6.530 2.456 1.975 3.548 . 0 0 "[ . 1 . 2]" 1
703 1 61 VAL MG1 1 63 PRO QG . . 7.410 4.649 3.914 5.378 . 0 0 "[ . 1 . 2]" 1
704 1 61 VAL MG2 1 62 LEU H . . 5.970 4.027 3.654 4.502 . 0 0 "[ . 1 . 2]" 1
705 1 62 LEU H 1 62 LEU QB . . 3.750 2.446 2.230 2.712 . 0 0 "[ . 1 . 2]" 1
706 1 62 LEU H 1 62 LEU HG . . 3.390 2.998 2.275 3.321 . 0 0 "[ . 1 . 2]" 1
707 1 62 LEU H 1 63 PRO QD . . 6.380 3.712 3.231 4.225 . 0 0 "[ . 1 . 2]" 1
708 1 62 LEU H 1 65 SER QB . . 6.380 4.417 4.138 4.676 . 0 0 "[ . 1 . 2]" 1
709 1 62 LEU HA 1 62 LEU MD2 . . 3.860 2.499 2.132 3.090 . 0 0 "[ . 1 . 2]" 1
710 1 62 LEU HA 1 63 PRO QD . . 3.800 2.110 2.065 2.160 . 0 0 "[ . 1 . 2]" 1
711 1 62 LEU QB 1 65 SER H . . 6.380 3.928 3.298 4.201 . 0 0 "[ . 1 . 2]" 1
712 1 62 LEU MD2 1 67 LYS H . . 6.500 5.216 4.585 5.311 . 0 0 "[ . 1 . 2]" 1
713 1 63 PRO HA 1 64 ASN H . . 2.710 2.216 2.059 2.352 . 0 0 "[ . 1 . 2]" 1
714 1 63 PRO HA 1 65 SER H . . 4.790 3.698 3.522 3.998 . 0 0 "[ . 1 . 2]" 1
715 1 63 PRO QB 1 64 ASN H . . 4.190 3.061 2.873 3.257 . 0 0 "[ . 1 . 2]" 1
716 1 63 PRO QB 1 64 ASN HD21 . . 5.920 4.123 3.281 5.141 . 0 0 "[ . 1 . 2]" 1
717 1 63 PRO QB 1 64 ASN HD22 . . 5.570 3.591 2.557 4.483 . 0 0 "[ . 1 . 2]" 1
718 1 63 PRO HB2 1 64 ASN H . . 4.450 3.224 2.982 3.452 . 0 0 "[ . 1 . 2]" 1
719 1 63 PRO HB3 1 64 ASN H . . 4.450 3.826 3.690 4.017 . 0 0 "[ . 1 . 2]" 1
720 1 64 ASN H 1 64 ASN HA . . 2.520 2.208 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
721 1 64 ASN H 1 64 ASN HB2 . . 3.700 3.697 3.632 3.763 0.063 16 0 "[ . 1 . 2]" 1
722 1 64 ASN H 1 64 ASN HB3 . . 3.700 3.772 3.758 3.784 0.084 19 0 "[ . 1 . 2]" 1
723 1 64 ASN H 1 65 SER H . . 3.360 3.009 2.928 3.190 . 0 0 "[ . 1 . 2]" 1
724 1 64 ASN HA 1 65 SER H . . 2.990 2.947 2.647 3.063 0.073 16 0 "[ . 1 . 2]" 1
725 1 64 ASN QB 1 64 ASN HD21 . . 3.120 2.185 2.093 2.297 . 0 0 "[ . 1 . 2]" 1
726 1 64 ASN QB 1 64 ASN HD22 . . 3.600 3.243 3.228 3.254 . 0 0 "[ . 1 . 2]" 1
727 1 64 ASN HB2 1 64 ASN HD21 . . 3.480 2.334 2.155 3.213 . 0 0 "[ . 1 . 2]" 1
728 1 64 ASN HB2 1 64 ASN HD22 . . 3.860 3.529 3.444 3.911 0.051 14 0 "[ . 1 . 2]" 1
729 1 64 ASN HB2 1 65 SER H . . 4.820 4.194 3.985 4.415 . 0 0 "[ . 1 . 2]" 1
730 1 64 ASN HB3 1 64 ASN HD21 . . 3.480 2.965 2.121 3.288 . 0 0 "[ . 1 . 2]" 1
731 1 64 ASN HB3 1 64 ASN HD22 . . 3.860 3.816 3.481 3.935 0.075 2 0 "[ . 1 . 2]" 1
732 1 64 ASN HB3 1 65 SER H . . 4.820 4.593 4.456 4.669 . 0 0 "[ . 1 . 2]" 1
733 1 65 SER H 1 65 SER HB2 . . 3.050 2.342 2.095 2.782 . 0 0 "[ . 1 . 2]" 1
734 1 65 SER H 1 65 SER QB . . 2.860 2.182 2.065 2.359 . 0 0 "[ . 1 . 2]" 1
735 1 65 SER H 1 65 SER HB3 . . 3.050 2.722 2.455 3.125 0.075 6 0 "[ . 1 . 2]" 1
736 1 65 SER H 1 66 ASP H . . 5.500 4.557 4.447 4.617 . 0 0 "[ . 1 . 2]" 1
737 1 65 SER HA 1 66 ASP H . . 2.550 2.177 2.043 2.328 . 0 0 "[ . 1 . 2]" 1
738 1 65 SER HA 1 67 LYS H . . 3.760 3.628 3.280 3.843 0.083 18 0 "[ . 1 . 2]" 1
739 1 65 SER QB 1 67 LYS H . . 5.250 2.892 2.391 3.551 . 0 0 "[ . 1 . 2]" 1
740 1 65 SER HB2 1 66 ASP H . . 5.000 4.067 3.769 4.346 . 0 0 "[ . 1 . 2]" 1
741 1 65 SER HB2 1 67 LYS H . . 5.500 4.070 3.737 4.475 . 0 0 "[ . 1 . 2]" 1
742 1 65 SER HB3 1 66 ASP H . . 5.000 3.695 3.237 3.975 . 0 0 "[ . 1 . 2]" 1
743 1 65 SER HB3 1 67 LYS H . . 5.500 2.969 2.417 3.746 . 0 0 "[ . 1 . 2]" 1
744 1 66 ASP H 1 66 ASP HB2 . . 3.730 2.768 2.250 3.705 . 0 0 "[ . 1 . 2]" 1
745 1 66 ASP H 1 66 ASP QB . . 3.560 2.335 2.222 2.616 . 0 0 "[ . 1 . 2]" 1
746 1 66 ASP H 1 66 ASP HB3 . . 3.730 2.728 2.325 3.609 . 0 0 "[ . 1 . 2]" 1
747 1 66 ASP H 1 67 LYS H . . 2.960 2.368 1.999 2.657 . 0 0 "[ . 1 . 2]" 1
748 1 66 ASP HA 1 67 LYS H . . 3.580 3.436 3.234 3.559 . 0 0 "[ . 1 . 2]" 1
749 1 66 ASP HB2 1 67 LYS H . . 5.500 4.213 3.644 4.550 . 0 0 "[ . 1 . 2]" 1
750 1 66 ASP HB3 1 67 LYS H . . 5.500 3.642 3.024 4.313 . 0 0 "[ . 1 . 2]" 1
751 1 67 LYS H 1 67 LYS QB . . 3.710 2.339 2.209 2.723 . 0 0 "[ . 1 . 2]" 1
752 1 67 LYS H 1 67 LYS QG . . 5.010 3.245 2.003 4.097 . 0 0 "[ . 1 . 2]" 1
753 1 67 LYS HA 1 68 LYS H . . 2.400 2.190 2.006 2.470 0.070 2 0 "[ . 1 . 2]" 1
754 1 67 LYS QB 1 68 LYS H . . 4.080 3.307 2.442 3.712 . 0 0 "[ . 1 . 2]" 1
755 1 68 LYS H 1 68 LYS QB . . 3.740 2.432 2.189 2.704 . 0 0 "[ . 1 . 2]" 1
756 1 68 LYS H 1 68 LYS HG2 . . 2.900 2.302 2.104 2.458 . 0 0 "[ . 1 . 2]" 1
757 1 68 LYS H 1 68 LYS HG3 . . 3.760 3.712 3.588 3.828 0.068 19 0 "[ . 1 . 2]" 1
758 1 68 LYS H 1 69 ALA H . . 4.350 4.425 4.402 4.436 0.086 12 0 "[ . 1 . 2]" 1
759 1 68 LYS HA 1 68 LYS HG2 . . 3.790 3.683 3.601 3.777 . 0 0 "[ . 1 . 2]" 1
760 1 68 LYS HA 1 68 LYS HG3 . . 3.980 3.885 3.754 4.047 0.067 20 0 "[ . 1 . 2]" 1
761 1 68 LYS HA 1 69 ALA H . . 2.830 2.603 2.508 2.809 . 0 0 "[ . 1 . 2]" 1
762 1 68 LYS QB 1 69 ALA H . . 4.140 2.121 2.001 2.287 . 0 0 "[ . 1 . 2]" 1
763 1 68 LYS HG2 1 69 ALA H . . 3.670 3.708 3.403 3.752 0.082 14 0 "[ . 1 . 2]" 1
764 1 68 LYS HG3 1 69 ALA H . . 3.480 2.821 2.536 3.247 . 0 0 "[ . 1 . 2]" 1
765 1 69 ALA H 1 69 ALA MB . . 3.430 2.634 2.428 2.824 . 0 0 "[ . 1 . 2]" 1
766 1 69 ALA H 1 70 ASP H . . 5.500 4.407 4.083 4.586 . 0 0 "[ . 1 . 2]" 1
767 1 69 ALA HA 1 70 ASP H . . 2.770 2.385 2.058 2.627 . 0 0 "[ . 1 . 2]" 1
768 1 69 ALA HA 1 71 CYS H . . 4.290 4.190 3.956 4.361 0.071 2 0 "[ . 1 . 2]" 1
769 1 69 ALA MB 1 70 ASP H . . 3.680 2.554 2.225 2.976 . 0 0 "[ . 1 . 2]" 1
770 1 69 ALA MB 1 71 CYS H . . 3.800 2.651 2.412 2.939 . 0 0 "[ . 1 . 2]" 1
771 1 69 ALA MB 1 72 THR H . . 6.530 4.896 4.574 5.136 . 0 0 "[ . 1 . 2]" 1
772 1 70 ASP H 1 70 ASP HB2 . . 3.480 2.646 2.008 3.576 0.096 4 0 "[ . 1 . 2]" 1
773 1 70 ASP H 1 70 ASP HB3 . . 3.330 3.022 2.502 3.362 0.032 11 0 "[ . 1 . 2]" 1
774 1 70 ASP H 1 71 CYS H . . 2.860 2.429 2.220 2.934 0.074 16 0 "[ . 1 . 2]" 1
775 1 70 ASP HB3 1 71 CYS H . . 4.010 3.302 2.365 4.085 0.075 4 0 "[ . 1 . 2]" 1
776 1 71 CYS HA 1 72 THR H . . 2.740 2.664 2.395 2.812 0.072 7 0 "[ . 1 . 2]" 1
777 1 71 CYS QB 1 72 THR H . . 6.380 2.199 1.873 2.493 . 0 0 "[ . 1 . 2]" 1
778 1 72 THR H 1 72 THR HB . . 3.330 2.861 2.601 3.102 . 0 0 "[ . 1 . 2]" 1
779 1 72 THR H 1 73 ILE H . . 5.500 4.292 4.006 4.466 . 0 0 "[ . 1 . 2]" 1
780 1 72 THR H 1 102 THR H . . 4.170 4.233 3.938 4.256 0.086 1 0 "[ . 1 . 2]" 1
781 1 72 THR HA 1 73 ILE H . . 2.770 2.621 2.180 2.843 0.073 3 0 "[ . 1 . 2]" 1
782 1 72 THR MG 1 73 ILE H . . 4.260 2.041 1.555 3.012 . 0 0 "[ . 1 . 2]" 1
783 1 72 THR MG 1 80 PHE HZ . . 6.530 5.398 5.347 5.444 . 0 0 "[ . 1 . 2]" 1
784 1 72 THR MG 1 101 ILE QG . . 7.410 4.529 3.577 5.425 . 0 0 "[ . 1 . 2]" 1
785 1 73 ILE H 1 73 ILE HB . . 3.300 2.955 2.313 3.273 . 0 0 "[ . 1 . 2]" 1
786 1 73 ILE H 1 73 ILE HG12 . . 5.070 4.621 4.385 4.798 . 0 0 "[ . 1 . 2]" 1
787 1 73 ILE H 1 73 ILE QG . . 4.700 4.080 3.842 4.227 . 0 0 "[ . 1 . 2]" 1
788 1 73 ILE H 1 73 ILE HG13 . . 5.070 4.562 4.137 5.055 . 0 0 "[ . 1 . 2]" 1
789 1 73 ILE H 1 73 ILE MG . . 3.920 2.550 2.066 2.759 . 0 0 "[ . 1 . 2]" 1
790 1 73 ILE H 1 74 THR H . . 5.500 4.422 4.206 4.811 . 0 0 "[ . 1 . 2]" 1
791 1 73 ILE HA 1 74 THR H . . 2.590 2.504 2.316 2.671 0.081 3 0 "[ . 1 . 2]" 1
792 1 73 ILE MD 1 108 ALA MB . . 7.560 4.619 2.580 5.214 . 0 0 "[ . 1 . 2]" 1
793 1 73 ILE QG 1 101 ILE MG . . 5.890 4.240 4.139 4.371 . 0 0 "[ . 1 . 2]" 1
794 1 73 ILE MG 1 74 THR H . . 4.390 3.212 2.771 3.582 . 0 0 "[ . 1 . 2]" 1
795 1 73 ILE MG 1 74 THR MG . . 7.560 4.837 4.183 5.142 . 0 0 "[ . 1 . 2]" 1
796 1 73 ILE MG 1 75 MET QG . . 6.690 3.655 1.986 4.880 . 0 0 "[ . 1 . 2]" 1
797 1 74 THR H 1 74 THR HB . . 3.170 2.570 2.331 2.811 . 0 0 "[ . 1 . 2]" 1
798 1 74 THR H 1 74 THR MG . . 4.670 3.769 2.665 3.927 . 0 0 "[ . 1 . 2]" 1
799 1 74 THR H 1 75 MET H . . 4.660 4.395 4.153 4.604 . 0 0 "[ . 1 . 2]" 1
800 1 74 THR H 1 100 LYS H . . 4.820 4.885 4.572 4.914 0.094 8 0 "[ . 1 . 2]" 1
801 1 74 THR H 1 100 LYS HB2 . . 4.320 2.767 2.014 3.473 . 0 0 "[ . 1 . 2]" 1
802 1 74 THR H 1 100 LYS HB3 . . 4.010 3.670 3.244 4.098 0.088 8 0 "[ . 1 . 2]" 1
803 1 74 THR H 1 101 ILE HA . . 5.380 5.360 5.054 5.477 0.097 10 0 "[ . 1 . 2]" 1
804 1 74 THR HA 1 74 THR MG . . 3.710 2.428 2.194 3.086 . 0 0 "[ . 1 . 2]" 1
805 1 74 THR HA 1 75 MET H . . 2.550 2.243 2.027 2.418 . 0 0 "[ . 1 . 2]" 1
806 1 74 THR HA 1 76 ALA H . . 5.250 4.707 3.800 5.348 0.098 8 0 "[ . 1 . 2]" 1
807 1 74 THR HB 1 75 MET H . . 5.100 4.257 3.727 4.464 . 0 0 "[ . 1 . 2]" 1
808 1 74 THR HB 1 100 LYS HB2 . . 4.170 4.100 3.368 4.256 0.086 4 0 "[ . 1 . 2]" 1
809 1 74 THR HB 1 100 LYS HB3 . . 3.980 3.912 3.214 4.062 0.082 18 0 "[ . 1 . 2]" 1
810 1 74 THR MG 1 75 MET H . . 3.580 2.775 2.127 2.907 . 0 0 "[ . 1 . 2]" 1
811 1 74 THR MG 1 98 LYS QG . . 5.830 4.062 3.433 4.305 . 0 0 "[ . 1 . 2]" 1
812 1 76 ALA HA 1 77 ASP H . . 2.710 2.363 2.226 2.474 . 0 0 "[ . 1 . 2]" 1
813 1 76 ALA HA 1 78 SER H . . 5.500 4.360 4.143 4.795 . 0 0 "[ . 1 . 2]" 1
814 1 76 ALA MB 1 77 ASP H . . 3.740 2.511 2.349 2.733 . 0 0 "[ . 1 . 2]" 1
815 1 76 ALA MB 1 78 SER H . . 4.300 2.813 2.489 3.263 . 0 0 "[ . 1 . 2]" 1
816 1 76 ALA MB 1 79 ASP H . . 3.640 2.765 2.281 2.905 . 0 0 "[ . 1 . 2]" 1
817 1 77 ASP H 1 77 ASP HB2 . . 3.080 2.262 2.011 2.437 . 0 0 "[ . 1 . 2]" 1
818 1 77 ASP H 1 77 ASP HB3 . . 2.860 2.652 2.482 2.926 0.066 14 0 "[ . 1 . 2]" 1
819 1 77 ASP HB2 1 78 SER H . . 3.330 3.418 3.410 3.426 0.096 4 0 "[ . 1 . 2]" 1
820 1 77 ASP HB3 1 78 SER H . . 2.830 2.224 2.067 2.754 . 0 0 "[ . 1 . 2]" 1
821 1 78 SER H 1 79 ASP H . . 2.650 2.729 2.704 2.741 0.091 4 0 "[ . 1 . 2]" 1
822 1 78 SER HA 1 81 LEU H . . 4.260 4.161 3.717 4.347 0.087 10 0 "[ . 1 . 2]" 1
823 1 79 ASP H 1 79 ASP HB2 . . 3.240 2.628 1.969 3.137 . 0 0 "[ . 1 . 2]" 1
824 1 79 ASP H 1 79 ASP QB . . 3.020 2.336 1.951 2.651 . 0 0 "[ . 1 . 2]" 1
825 1 79 ASP H 1 79 ASP HB3 . . 3.240 2.824 2.346 3.303 0.063 7 0 "[ . 1 . 2]" 1
826 1 79 ASP H 1 80 PHE H . . 4.690 2.397 2.102 2.868 . 0 0 "[ . 1 . 2]" 1
827 1 79 ASP H 1 80 PHE QB . . 5.420 4.110 3.734 4.668 . 0 0 "[ . 1 . 2]" 1
828 1 79 ASP H 1 81 LEU H . . 5.310 3.872 3.441 4.347 . 0 0 "[ . 1 . 2]" 1
829 1 79 ASP HA 1 82 ALA H . . 4.040 3.679 2.699 4.112 0.072 5 0 "[ . 1 . 2]" 1
830 1 79 ASP HA 1 82 ALA MB . . 3.920 2.645 1.976 3.073 . 0 0 "[ . 1 . 2]" 1
831 1 80 PHE H 1 81 LEU H . . 3.830 2.895 2.632 3.120 . 0 0 "[ . 1 . 2]" 1
832 1 80 PHE QB 1 81 LEU H . . 3.830 2.445 2.246 2.628 . 0 0 "[ . 1 . 2]" 1
833 1 80 PHE HB2 1 81 LEU H . . 4.110 2.576 2.298 2.928 . 0 0 "[ . 1 . 2]" 1
834 1 80 PHE HB3 1 81 LEU H . . 4.110 3.113 2.755 3.523 . 0 0 "[ . 1 . 2]" 1
835 1 81 LEU H 1 81 LEU HB2 . . 3.140 2.272 1.979 2.473 . 0 0 "[ . 1 . 2]" 1
836 1 81 LEU H 1 81 LEU HB3 . . 3.140 2.755 2.424 3.225 0.085 13 0 "[ . 1 . 2]" 1
837 1 81 LEU H 1 81 LEU MD2 . . 5.380 3.982 2.607 4.482 . 0 0 "[ . 1 . 2]" 1
838 1 81 LEU H 1 81 LEU HG . . 4.450 4.391 4.061 4.502 0.052 9 0 "[ . 1 . 2]" 1
839 1 81 LEU H 1 82 ALA H . . 3.420 2.729 2.442 2.970 . 0 0 "[ . 1 . 2]" 1
840 1 81 LEU HA 1 81 LEU MD1 . . 3.580 2.356 2.137 2.861 . 0 0 "[ . 1 . 2]" 1
841 1 81 LEU HA 1 84 MET H . . 5.500 4.139 3.681 4.606 . 0 0 "[ . 1 . 2]" 1
842 1 81 LEU QB 1 82 ALA H . . 3.230 2.332 2.013 2.909 . 0 0 "[ . 1 . 2]" 1
843 1 81 LEU HB2 1 82 ALA H . . 3.450 3.449 3.002 3.539 0.089 7 0 "[ . 1 . 2]" 1
844 1 81 LEU HB3 1 82 ALA H . . 3.450 2.415 2.025 3.225 . 0 0 "[ . 1 . 2]" 1
845 1 81 LEU MD1 1 85 THR MG . . 5.320 3.398 2.714 3.636 . 0 0 "[ . 1 . 2]" 1
846 1 81 LEU MD2 1 82 ALA H . . 5.440 3.948 3.092 4.510 . 0 0 "[ . 1 . 2]" 1
847 1 82 ALA H 1 82 ALA MB . . 3.430 2.268 2.102 2.407 . 0 0 "[ . 1 . 2]" 1
848 1 82 ALA H 1 83 LEU H . . 3.390 2.794 2.428 3.115 . 0 0 "[ . 1 . 2]" 1
849 1 82 ALA HA 1 87 LYS HB2 . . 4.350 3.274 2.328 4.163 . 0 0 "[ . 1 . 2]" 1
850 1 82 ALA HA 1 87 LYS HB3 . . 4.070 2.786 2.082 3.874 . 0 0 "[ . 1 . 2]" 1
851 1 82 ALA MB 1 87 LYS HB2 . . 4.760 3.526 2.607 3.929 . 0 0 "[ . 1 . 2]" 1
852 1 82 ALA MB 1 88 MET QB . . 5.890 3.818 2.218 4.300 . 0 0 "[ . 1 . 2]" 1
853 1 83 LEU H 1 84 MET H . . 3.450 3.034 2.753 3.379 . 0 0 "[ . 1 . 2]" 1
854 1 83 LEU HA 1 88 MET H . . 5.070 3.868 2.290 5.124 0.054 10 0 "[ . 1 . 2]" 1
855 1 83 LEU QB 1 84 MET H . . 3.500 2.205 1.948 2.551 . 0 0 "[ . 1 . 2]" 1
856 1 83 LEU HB2 1 84 MET H . . 3.670 3.101 2.124 3.752 0.082 14 0 "[ . 1 . 2]" 1
857 1 83 LEU HB3 1 84 MET H . . 3.670 2.426 1.961 3.393 . 0 0 "[ . 1 . 2]" 1
858 1 84 MET H 1 84 MET HB2 . . 3.520 3.572 3.501 3.599 0.079 14 0 "[ . 1 . 2]" 1
859 1 84 MET H 1 84 MET HB3 . . 3.520 2.806 2.552 3.058 . 0 0 "[ . 1 . 2]" 1
860 1 84 MET H 1 85 THR H . . 3.700 2.963 2.585 3.549 . 0 0 "[ . 1 . 2]" 1
861 1 84 MET HA 1 84 MET ME . . 5.780 4.380 4.059 4.701 . 0 0 "[ . 1 . 2]" 1
862 1 84 MET HA 1 86 GLY H . . 4.420 3.702 3.202 4.472 0.052 18 0 "[ . 1 . 2]" 1
863 1 84 MET ME 1 114 LEU MD2 . . 7.560 4.969 4.487 5.192 . 0 0 "[ . 1 . 2]" 1
864 1 84 MET ME 1 115 GLN HA . . 5.540 2.154 1.910 2.749 . 0 0 "[ . 1 . 2]" 1
865 1 85 THR H 1 85 THR MG . . 4.420 3.626 3.311 3.747 . 0 0 "[ . 1 . 2]" 1
866 1 85 THR H 1 86 GLY H . . 3.300 2.391 1.567 3.079 . 0 0 "[ . 1 . 2]" 1
867 1 85 THR H 1 87 LYS H . . 5.000 4.113 2.999 4.975 . 0 0 "[ . 1 . 2]" 1
868 1 85 THR MG 1 86 GLY H . . 6.530 4.194 3.638 4.552 . 0 0 "[ . 1 . 2]" 1
869 1 86 GLY H 1 86 GLY HA2 . . 2.930 2.897 2.732 2.997 0.067 18 0 "[ . 1 . 2]" 1
870 1 86 GLY H 1 86 GLY HA3 . . 2.930 2.322 2.209 2.508 . 0 0 "[ . 1 . 2]" 1
871 1 86 GLY H 1 87 LYS H . . 3.170 2.629 2.119 2.970 . 0 0 "[ . 1 . 2]" 1
872 1 86 GLY H 1 88 MET H . . 4.660 4.167 3.027 4.739 0.079 6 0 "[ . 1 . 2]" 1
873 1 87 LYS H 1 87 LYS HB2 . . 3.210 2.780 2.099 3.212 0.002 6 0 "[ . 1 . 2]" 1
874 1 87 LYS H 1 87 LYS HB3 . . 2.860 2.799 2.488 2.940 0.080 8 0 "[ . 1 . 2]" 1
875 1 87 LYS H 1 88 MET H . . 2.930 2.262 1.734 2.884 . 0 0 "[ . 1 . 2]" 1
876 1 87 LYS HB3 1 88 MET H . . 4.040 3.066 2.134 4.108 0.068 16 0 "[ . 1 . 2]" 1
877 1 88 MET H 1 88 MET HG2 . . 4.290 3.720 2.419 4.361 0.071 15 0 "[ . 1 . 2]" 1
878 1 88 MET H 1 88 MET QG . . 4.120 3.271 2.288 3.739 . 0 0 "[ . 1 . 2]" 1
879 1 88 MET H 1 88 MET HG3 . . 4.290 3.790 2.348 4.372 0.082 7 0 "[ . 1 . 2]" 1
880 1 92 SER QB 1 96 GLN HE22 . . 6.100 4.569 3.303 5.464 . 0 0 "[ . 1 . 2]" 1
881 1 93 ALA H 1 93 ALA MB . . 3.460 2.113 1.978 2.258 . 0 0 "[ . 1 . 2]" 1
882 1 93 ALA H 1 100 LYS HB2 . . 5.040 5.127 5.108 5.136 0.096 13 0 "[ . 1 . 2]" 1
883 1 93 ALA HA 1 96 GLN H . . 4.760 4.206 3.424 4.831 0.071 6 0 "[ . 1 . 2]" 1
884 1 93 ALA HA 1 96 GLN QB . . 4.830 3.923 2.541 4.368 . 0 0 "[ . 1 . 2]" 1
885 1 93 ALA HA 1 96 GLN HE21 . . 5.440 4.413 1.611 5.532 0.092 9 0 "[ . 1 . 2]" 1
886 1 93 ALA MB 1 98 LYS HB3 . . 6.530 4.978 3.750 5.428 . 0 0 "[ . 1 . 2]" 1
887 1 93 ALA MB 1 99 LEU QD . . 9.130 5.028 3.470 5.581 . 0 0 "[ . 1 . 2]" 1
888 1 93 ALA MB 1 100 LYS HB2 . . 6.280 2.903 2.207 4.253 . 0 0 "[ . 1 . 2]" 1
889 1 93 ALA MB 1 107 LEU QD . . 9.130 5.459 5.350 5.603 . 0 0 "[ . 1 . 2]" 1
890 1 94 PHE QE 1 95 PHE QB . . 8.000 5.078 3.110 6.194 . 0 0 "[ . 1 . 2]" 1
891 1 95 PHE H 1 96 GLN H . . 4.200 2.895 2.402 3.142 . 0 0 "[ . 1 . 2]" 1
892 1 95 PHE QB 1 96 GLN H . . 4.520 2.682 2.155 3.533 . 0 0 "[ . 1 . 2]" 1
893 1 96 GLN H 1 96 GLN HB2 . . 3.450 2.676 2.019 3.539 0.089 8 0 "[ . 1 . 2]" 1
894 1 96 GLN H 1 96 GLN QB . . 3.110 2.310 2.002 2.683 . 0 0 "[ . 1 . 2]" 1
895 1 96 GLN H 1 96 GLN HB3 . . 3.450 3.158 2.507 3.512 0.062 12 0 "[ . 1 . 2]" 1
896 1 96 GLN H 1 96 GLN HG2 . . 3.550 3.006 1.969 3.626 0.076 3 0 "[ . 1 . 2]" 1
897 1 96 GLN H 1 96 GLN QG . . 3.270 2.538 1.958 2.973 . 0 0 "[ . 1 . 2]" 1
898 1 96 GLN H 1 96 GLN HG3 . . 3.550 3.054 2.327 3.577 0.027 4 0 "[ . 1 . 2]" 1
899 1 96 GLN H 1 97 GLY H . . 3.300 2.699 2.237 3.366 0.066 3 0 "[ . 1 . 2]" 1
900 1 96 GLN HA 1 96 GLN QG . . 3.950 2.638 2.081 3.455 . 0 0 "[ . 1 . 2]" 1
901 1 96 GLN QB 1 96 GLN HE22 . . 4.970 3.693 3.190 4.301 . 0 0 "[ . 1 . 2]" 1
902 1 96 GLN QB 1 98 LYS H . . 4.710 3.222 2.361 4.017 . 0 0 "[ . 1 . 2]" 1
903 1 96 GLN HB2 1 97 GLY H . . 5.500 3.299 2.293 4.467 . 0 0 "[ . 1 . 2]" 1
904 1 96 GLN HB2 1 98 LYS H . . 5.250 3.502 2.585 4.261 . 0 0 "[ . 1 . 2]" 1
905 1 96 GLN HB3 1 97 GLY H . . 5.500 3.726 2.061 4.547 . 0 0 "[ . 1 . 2]" 1
906 1 96 GLN HB3 1 98 LYS H . . 5.250 3.941 2.508 5.136 . 0 0 "[ . 1 . 2]" 1
907 1 97 GLY H 1 98 LYS H . . 3.140 2.715 2.060 3.154 0.014 8 0 "[ . 1 . 2]" 1
908 1 98 LYS H 1 98 LYS HB2 . . 3.210 2.274 2.029 2.579 . 0 0 "[ . 1 . 2]" 1
909 1 98 LYS H 1 98 LYS HB3 . . 3.700 3.526 3.355 3.702 0.002 16 0 "[ . 1 . 2]" 1
910 1 98 LYS H 1 98 LYS HG2 . . 3.480 2.932 2.277 3.562 0.082 7 0 "[ . 1 . 2]" 1
911 1 98 LYS H 1 98 LYS HG3 . . 3.480 3.423 2.909 3.567 0.087 2 0 "[ . 1 . 2]" 1
912 1 98 LYS H 1 99 LEU H . . 3.170 3.043 2.088 3.255 0.085 5 0 "[ . 1 . 2]" 1
913 1 98 LYS HA 1 98 LYS QG . . 3.920 2.435 2.079 2.986 . 0 0 "[ . 1 . 2]" 1
914 1 99 LEU H 1 99 LEU QB . . 3.840 2.908 2.528 3.456 . 0 0 "[ . 1 . 2]" 1
915 1 99 LEU H 1 99 LEU HG . . 5.100 4.667 3.540 5.049 . 0 0 "[ . 1 . 2]" 1
916 1 99 LEU QD 1 101 ILE MD . . 8.320 3.362 2.108 3.901 . 0 0 "[ . 1 . 2]" 1
917 1 99 LEU HG 1 101 ILE MD . . 4.420 3.204 2.513 3.642 . 0 0 "[ . 1 . 2]" 1
918 1 100 LYS HA 1 101 ILE H . . 2.520 2.387 2.025 2.577 0.057 15 0 "[ . 1 . 2]" 1
919 1 100 LYS HB2 1 101 ILE H . . 3.480 2.871 2.192 3.421 . 0 0 "[ . 1 . 2]" 1
920 1 100 LYS HB3 1 101 ILE H . . 4.110 4.005 3.643 4.192 0.082 1 0 "[ . 1 . 2]" 1
921 1 100 LYS QG 1 107 LEU QD . . 7.950 4.831 4.157 5.175 . 0 0 "[ . 1 . 2]" 1
922 1 101 ILE H 1 101 ILE HB . . 2.860 2.494 2.037 2.817 . 0 0 "[ . 1 . 2]" 1
923 1 101 ILE H 1 101 ILE QG . . 5.050 3.428 2.162 4.127 . 0 0 "[ . 1 . 2]" 1
924 1 101 ILE HA 1 102 THR H . . 2.830 2.617 2.392 2.908 0.078 8 0 "[ . 1 . 2]" 1
925 1 101 ILE MG 1 102 THR H . . 4.480 1.866 1.605 2.065 . 0 0 "[ . 1 . 2]" 1
926 1 102 THR HA 1 103 GLY H . . 3.140 2.656 2.214 3.213 0.073 18 0 "[ . 1 . 2]" 1
927 1 102 THR HB 1 103 GLY H . . 3.300 2.475 1.798 3.356 0.056 17 0 "[ . 1 . 2]" 1
928 1 102 THR MG 1 103 GLY H . . 4.980 3.425 1.873 3.933 . 0 0 "[ . 1 . 2]" 1
929 1 106 GLY H 1 107 LEU H . . 4.540 3.298 1.974 4.398 . 0 0 "[ . 1 . 2]" 1
930 1 107 LEU H 1 107 LEU HG . . 3.830 3.222 2.117 3.912 0.082 8 0 "[ . 1 . 2]" 1
931 1 107 LEU H 1 108 ALA H . . 3.830 3.074 2.449 3.910 0.080 3 0 "[ . 1 . 2]" 1
932 1 107 LEU HA 1 110 LYS H . . 5.410 4.372 3.154 5.441 0.031 17 0 "[ . 1 . 2]" 1
933 1 107 LEU QD 1 108 ALA MB . . 8.850 3.540 2.275 5.000 . 0 0 "[ . 1 . 2]" 1
934 1 107 LEU QD 1 110 LYS H . . 8.100 5.712 4.903 5.991 . 0 0 "[ . 1 . 2]" 1
935 1 108 ALA H 1 109 MET H . . 4.820 2.858 2.369 3.388 . 0 0 "[ . 1 . 2]" 1
936 1 110 LYS H 1 110 LYS HB2 . . 3.330 2.384 2.048 3.416 0.086 3 0 "[ . 1 . 2]" 1
937 1 110 LYS H 1 110 LYS QB . . 2.960 2.206 1.997 2.394 . 0 0 "[ . 1 . 2]" 1
938 1 110 LYS H 1 110 LYS HB3 . . 3.330 2.893 2.251 3.416 0.086 2 0 "[ . 1 . 2]" 1
939 1 110 LYS H 1 111 LEU H . . 3.730 2.908 2.272 3.749 0.019 15 0 "[ . 1 . 2]" 1
940 1 111 LEU H 1 111 LEU HB3 . . 3.640 3.184 2.586 3.669 0.029 5 0 "[ . 1 . 2]" 1
941 1 113 ASN H 1 113 ASN HB2 . . 3.860 2.582 2.182 3.781 . 0 0 "[ . 1 . 2]" 1
942 1 113 ASN H 1 113 ASN QB . . 3.630 2.472 2.097 3.058 . 0 0 "[ . 1 . 2]" 1
943 1 113 ASN H 1 113 ASN HB3 . . 3.860 3.378 2.459 3.744 . 0 0 "[ . 1 . 2]" 1
944 1 113 ASN H 1 117 GLN HE21 . . 4.480 4.455 3.938 4.574 0.094 13 0 "[ . 1 . 2]" 1
945 1 113 ASN HA 1 116 LEU H . . 3.890 3.949 3.744 3.982 0.092 9 0 "[ . 1 . 2]" 1
946 1 115 GLN HA 1 116 LEU H . . 2.650 2.683 2.503 2.737 0.087 9 0 "[ . 1 . 2]" 1
947 1 116 LEU H 1 116 LEU MD2 . . 4.390 2.917 2.196 3.562 . 0 0 "[ . 1 . 2]" 1
948 1 116 LEU H 1 116 LEU HG . . 3.480 3.141 2.432 3.575 0.095 19 0 "[ . 1 . 2]" 1
949 1 116 LEU HA 1 116 LEU MD2 . . 4.390 2.680 2.028 3.569 . 0 0 "[ . 1 . 2]" 1
950 1 116 LEU HA 1 117 GLN H . . 2.650 2.611 2.284 2.736 0.086 5 0 "[ . 1 . 2]" 1
951 1 116 LEU MD2 1 117 GLN H . . 6.370 3.566 2.061 4.978 . 0 0 "[ . 1 . 2]" 1
952 1 116 LEU HG 1 117 GLN H . . 4.320 4.246 3.602 4.411 0.091 14 0 "[ . 1 . 2]" 1
953 1 117 GLN H 1 117 GLN HB2 . . 3.020 2.765 2.153 3.066 0.046 11 0 "[ . 1 . 2]" 1
954 1 117 GLN H 1 117 GLN HB3 . . 3.550 3.553 3.259 3.650 0.100 13 0 "[ . 1 . 2]" 1
955 1 117 GLN H 1 117 GLN QG . . 4.730 3.028 1.983 4.198 . 0 0 "[ . 1 . 2]" 1
956 1 117 GLN HA 1 118 PRO HD2 . . 3.450 2.431 2.100 3.068 . 0 0 "[ . 1 . 2]" 1
957 1 117 GLN HA 1 118 PRO QD . . 3.260 2.145 2.010 2.508 . 0 0 "[ . 1 . 2]" 1
958 1 117 GLN HA 1 118 PRO HD3 . . 3.450 2.437 2.213 2.660 . 0 0 "[ . 1 . 2]" 1
959 1 117 GLN HB3 1 118 PRO QD . . 4.180 2.842 2.047 3.694 . 0 0 "[ . 1 . 2]" 1
960 1 118 PRO HA 1 119 GLY H . . 2.860 2.527 2.452 2.689 . 0 0 "[ . 1 . 2]" 1
961 1 118 PRO QB 1 119 GLY H . . 4.420 2.410 2.121 2.594 . 0 0 "[ . 1 . 2]" 1
962 1 118 PRO HB2 1 119 GLY H . . 4.720 2.456 2.141 2.654 . 0 0 "[ . 1 . 2]" 1
963 1 118 PRO HB3 1 119 GLY H . . 4.720 3.515 3.372 3.656 . 0 0 "[ . 1 . 2]" 1
964 1 118 PRO QG 1 119 GLY H . . 5.100 3.960 3.559 4.148 . 0 0 "[ . 1 . 2]" 1
965 1 120 ASN H 1 120 ASN HB2 . . 4.110 3.053 2.242 3.680 . 0 0 "[ . 1 . 2]" 1
966 1 120 ASN H 1 120 ASN QB . . 3.870 2.672 2.219 3.094 . 0 0 "[ . 1 . 2]" 1
967 1 120 ASN H 1 120 ASN HB3 . . 4.110 3.170 2.452 4.052 . 0 0 "[ . 1 . 2]" 1
968 1 120 ASN HB2 1 121 ALA H . . 5.500 4.140 2.918 4.767 . 0 0 "[ . 1 . 2]" 1
969 1 120 ASN HB3 1 121 ALA H . . 5.500 3.733 2.061 4.634 . 0 0 "[ . 1 . 2]" 1
970 1 122 LYS H 1 122 LYS HB2 . . 3.950 3.215 2.337 3.964 0.014 8 0 "[ . 1 . 2]" 1
971 1 122 LYS H 1 122 LYS QB . . 3.670 2.821 2.243 3.333 . 0 0 "[ . 1 . 2]" 1
972 1 122 LYS H 1 122 LYS HB3 . . 3.950 3.273 2.496 4.009 0.059 4 0 "[ . 1 . 2]" 1
973 1 122 LYS H 1 123 LEU H . . 4.850 4.000 2.916 4.734 . 0 0 "[ . 1 . 2]" 1
974 1 122 LYS HA 1 123 LEU H . . 2.990 2.304 2.060 3.022 0.032 8 0 "[ . 1 . 2]" 1
975 1 122 LYS QB 1 123 LEU H . . 5.290 3.387 1.993 4.065 . 0 0 "[ . 1 . 2]" 1
976 1 122 LYS HB2 1 123 LEU H . . 5.500 4.007 2.003 4.667 . 0 0 "[ . 1 . 2]" 1
977 1 122 LYS HB3 1 123 LEU H . . 5.500 3.830 2.299 4.497 . 0 0 "[ . 1 . 2]" 1
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