NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
611189 |
2n3y   |
25660 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n3y
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 2097
_Distance_constraint_stats_list.Viol_count 2725
_Distance_constraint_stats_list.Viol_total 3467.883
_Distance_constraint_stats_list.Viol_max 0.326
_Distance_constraint_stats_list.Viol_rms 0.0200
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0636
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ASP 6.941 0.326 17 0 "[ . 1 . 2]"
1 3 VAL 5.771 0.195 2 0 "[ . 1 . 2]"
1 4 GLU 6.195 0.195 2 0 "[ . 1 . 2]"
1 5 LYS 3.473 0.156 17 0 "[ . 1 . 2]"
1 6 GLY 7.255 0.158 15 0 "[ . 1 . 2]"
1 7 LYS 6.625 0.186 4 0 "[ . 1 . 2]"
1 8 LYS 3.393 0.156 17 0 "[ . 1 . 2]"
1 9 ILE 9.220 0.237 1 0 "[ . 1 . 2]"
1 10 PHE 3.834 0.192 13 0 "[ . 1 . 2]"
1 11 ILE 4.821 0.155 13 0 "[ . 1 . 2]"
1 12 MET 4.652 0.178 3 0 "[ . 1 . 2]"
1 13 LYS 5.193 0.178 3 0 "[ . 1 . 2]"
1 14 CYS 9.938 0.237 1 0 "[ . 1 . 2]"
1 15 SER 5.592 0.230 14 0 "[ . 1 . 2]"
1 16 GLN 3.951 0.230 14 0 "[ . 1 . 2]"
1 17 CYS 1.908 0.149 9 0 "[ . 1 . 2]"
1 18 HIS 5.607 0.170 9 0 "[ . 1 . 2]"
1 19 THR 2.419 0.226 16 0 "[ . 1 . 2]"
1 20 VAL 3.937 0.226 16 0 "[ . 1 . 2]"
1 21 GLU 1.219 0.174 11 0 "[ . 1 . 2]"
1 22 LYS 1.693 0.192 17 0 "[ . 1 . 2]"
1 23 GLY 0.493 0.077 20 0 "[ . 1 . 2]"
1 24 GLY 2.113 0.185 12 0 "[ . 1 . 2]"
1 25 LYS 3.408 0.238 19 0 "[ . 1 . 2]"
1 26 HIS 2.556 0.174 6 0 "[ . 1 . 2]"
1 27 LYS 1.638 0.152 7 0 "[ . 1 . 2]"
1 28 THR 0.078 0.034 19 0 "[ . 1 . 2]"
1 29 GLY 2.052 0.152 7 0 "[ . 1 . 2]"
1 30 PRO 0.317 0.149 1 0 "[ . 1 . 2]"
1 31 ASN 3.576 0.253 4 0 "[ . 1 . 2]"
1 32 LEU 12.008 0.253 4 0 "[ . 1 . 2]"
1 33 HIS 4.506 0.241 19 0 "[ . 1 . 2]"
1 34 GLY 0.692 0.107 16 0 "[ . 1 . 2]"
1 35 LEU 5.155 0.143 16 0 "[ . 1 . 2]"
1 36 PHE 5.745 0.179 13 0 "[ . 1 . 2]"
1 37 GLY 0.675 0.126 14 0 "[ . 1 . 2]"
1 38 ARG 3.817 0.225 17 0 "[ . 1 . 2]"
1 39 LYS 2.945 0.201 11 0 "[ . 1 . 2]"
1 40 THR 1.210 0.225 17 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLN 3.503 0.215 5 0 "[ . 1 . 2]"
1 43 ALA 0.020 0.020 16 0 "[ . 1 . 2]"
1 44 PRO 0.012 0.012 4 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 3.296 0.215 5 0 "[ . 1 . 2]"
1 49 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ALA 0.835 0.174 5 0 "[ . 1 . 2]"
1 51 ALA 2.459 0.125 14 0 "[ . 1 . 2]"
1 52 ASN 1.874 0.125 14 0 "[ . 1 . 2]"
1 53 LYS 0.016 0.009 2 0 "[ . 1 . 2]"
1 54 ASN 2.203 0.201 11 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.408 0.140 14 0 "[ . 1 . 2]"
1 58 ILE 6.582 0.225 20 0 "[ . 1 . 2]"
1 59 TRP 3.423 0.169 19 0 "[ . 1 . 2]"
1 60 GLY 1.402 0.165 1 0 "[ . 1 . 2]"
1 61 GLU 2.281 0.165 1 0 "[ . 1 . 2]"
1 62 ASP 2.164 0.156 2 0 "[ . 1 . 2]"
1 63 THR 9.149 0.225 20 0 "[ . 1 . 2]"
1 64 LEU 3.147 0.174 4 0 "[ . 1 . 2]"
1 65 MET 7.958 0.192 12 0 "[ . 1 . 2]"
1 66 GLU 6.481 0.178 18 0 "[ . 1 . 2]"
1 67 TYR 2.570 0.189 12 0 "[ . 1 . 2]"
1 68 LEU 2.998 0.122 12 0 "[ . 1 . 2]"
1 69 GLU 5.944 0.192 12 0 "[ . 1 . 2]"
1 70 ASN 4.184 0.240 1 0 "[ . 1 . 2]"
1 71 PRO 4.551 0.152 15 0 "[ . 1 . 2]"
1 72 LYS 5.143 0.169 19 0 "[ . 1 . 2]"
1 73 LYS 4.244 0.240 1 0 "[ . 1 . 2]"
1 74 TYR 1.796 0.132 10 0 "[ . 1 . 2]"
1 75 ILE 2.325 0.144 3 0 "[ . 1 . 2]"
1 76 PRO 1.929 0.144 3 0 "[ . 1 . 2]"
1 77 GLY 0.800 0.169 19 0 "[ . 1 . 2]"
1 78 THR 2.934 0.208 2 0 "[ . 1 . 2]"
1 79 LYS 1.968 0.208 2 0 "[ . 1 . 2]"
1 80 MET 0.302 0.095 12 0 "[ . 1 . 2]"
1 81 ILE 1.466 0.127 6 0 "[ . 1 . 2]"
1 82 PHE 3.099 0.152 15 0 "[ . 1 . 2]"
1 83 VAL 0.180 0.087 8 0 "[ . 1 . 2]"
1 84 GLY 0.165 0.119 7 0 "[ . 1 . 2]"
1 85 ILE 4.961 0.192 7 0 "[ . 1 . 2]"
1 86 LYS 0.620 0.181 19 0 "[ . 1 . 2]"
1 87 LYS 2.962 0.245 19 0 "[ . 1 . 2]"
1 88 LYS 0.423 0.091 2 0 "[ . 1 . 2]"
1 89 GLU 1.759 0.169 10 0 "[ . 1 . 2]"
1 90 GLU 5.360 0.245 19 0 "[ . 1 . 2]"
1 91 ARG 2.789 0.192 7 0 "[ . 1 . 2]"
1 92 ALA 3.434 0.230 7 0 "[ . 1 . 2]"
1 93 ASP 0.742 0.050 1 0 "[ . 1 . 2]"
1 94 LEU 4.480 0.154 9 0 "[ . 1 . 2]"
1 95 ILE 6.801 0.182 11 0 "[ . 1 . 2]"
1 96 ALA 5.436 0.186 13 0 "[ . 1 . 2]"
1 97 TYR 5.937 0.186 13 0 "[ . 1 . 2]"
1 98 LEU 3.720 0.182 9 0 "[ . 1 . 2]"
1 99 LYS 4.421 0.143 1 0 "[ . 1 . 2]"
1 100 LYS 7.258 0.326 17 0 "[ . 1 . 2]"
1 101 ALA 3.610 0.156 19 0 "[ . 1 . 2]"
1 102 THR 3.706 0.156 19 0 "[ . 1 . 2]"
1 103 ASN 4.289 0.198 17 0 "[ . 1 . 2]"
1 104 GLU 0.795 0.072 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY HA2 1 2 ASP H . . 4.380 2.419 2.262 2.732 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA2 1 2 ASP HA . . 6.500 4.402 4.258 4.674 . 0 0 "[ . 1 . 2]" 1
3 1 1 GLY HA2 1 92 ALA MB . . 6.500 3.576 3.125 4.502 . 0 0 "[ . 1 . 2]" 1
4 1 1 GLY HA2 1 93 ASP H . . 6.500 3.919 3.234 5.326 . 0 0 "[ . 1 . 2]" 1
5 1 1 GLY HA2 1 93 ASP HA . . 4.950 2.470 2.063 3.679 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLY HA2 1 96 ALA MB . . 5.350 3.529 2.831 4.241 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLY HA3 1 2 ASP H . . 4.170 3.409 2.495 3.640 . 0 0 "[ . 1 . 2]" 1
8 1 1 GLY HA3 1 2 ASP HA . . 6.400 4.526 4.394 4.612 . 0 0 "[ . 1 . 2]" 1
9 1 1 GLY HA3 1 2 ASP HB2 . . 6.500 6.208 6.077 6.378 . 0 0 "[ . 1 . 2]" 1
10 1 1 GLY HA3 1 2 ASP HB3 . . 6.500 5.009 4.823 5.221 . 0 0 "[ . 1 . 2]" 1
11 1 1 GLY HA3 1 93 ASP H . . 6.500 4.720 3.470 5.601 . 0 0 "[ . 1 . 2]" 1
12 1 1 GLY HA3 1 93 ASP HA . . 6.120 3.393 2.017 4.410 . 0 0 "[ . 1 . 2]" 1
13 1 1 GLY HA3 1 96 ALA MB . . 5.720 3.392 2.837 4.175 . 0 0 "[ . 1 . 2]" 1
14 1 2 ASP H 1 2 ASP HB2 . . 4.120 4.008 3.946 4.088 . 0 0 "[ . 1 . 2]" 1
15 1 2 ASP H 1 2 ASP HB3 . . 4.230 3.414 3.302 3.552 . 0 0 "[ . 1 . 2]" 1
16 1 2 ASP H 1 3 VAL H . . 6.210 4.359 4.275 4.423 . 0 0 "[ . 1 . 2]" 1
17 1 2 ASP H 1 3 VAL MG1 . . 6.500 6.583 6.543 6.619 0.119 9 0 "[ . 1 . 2]" 1
18 1 2 ASP H 1 3 VAL MG2 . . 6.500 5.327 5.255 5.438 . 0 0 "[ . 1 . 2]" 1
19 1 2 ASP H 1 4 GLU H . . 6.500 5.227 4.763 5.671 . 0 0 "[ . 1 . 2]" 1
20 1 2 ASP H 1 5 LYS H . . 6.500 4.378 4.127 4.595 . 0 0 "[ . 1 . 2]" 1
21 1 2 ASP H 1 5 LYS QB . . 5.670 2.889 2.387 3.309 . 0 0 "[ . 1 . 2]" 1
22 1 2 ASP H 1 5 LYS QE . . 6.500 5.713 4.417 6.439 . 0 0 "[ . 1 . 2]" 1
23 1 2 ASP H 1 5 LYS HG2 . . 6.500 4.667 4.088 5.611 . 0 0 "[ . 1 . 2]" 1
24 1 2 ASP H 1 6 GLY H . . 6.500 4.034 3.726 4.165 . 0 0 "[ . 1 . 2]" 1
25 1 2 ASP H 1 93 ASP H . . 6.500 5.015 4.631 5.346 . 0 0 "[ . 1 . 2]" 1
26 1 2 ASP H 1 93 ASP HA . . 4.050 2.481 2.226 2.721 . 0 0 "[ . 1 . 2]" 1
27 1 2 ASP H 1 93 ASP QB . . 5.150 3.279 3.120 3.634 . 0 0 "[ . 1 . 2]" 1
28 1 2 ASP H 1 96 ALA H . . 6.500 5.249 4.971 5.363 . 0 0 "[ . 1 . 2]" 1
29 1 2 ASP H 1 96 ALA MB . . 4.910 3.124 2.930 3.314 . 0 0 "[ . 1 . 2]" 1
30 1 2 ASP HA 1 3 VAL H . . 5.320 2.611 2.472 2.857 . 0 0 "[ . 1 . 2]" 1
31 1 2 ASP HA 1 3 VAL HA . . 6.500 4.091 3.937 4.202 . 0 0 "[ . 1 . 2]" 1
32 1 2 ASP HA 1 3 VAL HB . . 6.500 4.940 4.673 5.162 . 0 0 "[ . 1 . 2]" 1
33 1 2 ASP HA 1 3 VAL MG1 . . 6.360 5.297 5.143 5.451 . 0 0 "[ . 1 . 2]" 1
34 1 2 ASP HA 1 3 VAL MG2 . . 6.210 3.209 3.070 3.379 . 0 0 "[ . 1 . 2]" 1
35 1 2 ASP HA 1 4 GLU H . . 6.500 4.756 4.419 5.066 . 0 0 "[ . 1 . 2]" 1
36 1 2 ASP HA 1 6 GLY H . . 6.500 5.076 4.985 5.215 . 0 0 "[ . 1 . 2]" 1
37 1 2 ASP HA 1 93 ASP HA . . 6.500 4.298 4.030 4.624 . 0 0 "[ . 1 . 2]" 1
38 1 2 ASP HA 1 96 ALA HA . . 6.500 4.689 4.540 4.817 . 0 0 "[ . 1 . 2]" 1
39 1 2 ASP HA 1 96 ALA MB . . 6.500 2.145 2.016 2.287 . 0 0 "[ . 1 . 2]" 1
40 1 2 ASP HB2 1 3 VAL H . . 5.340 1.862 1.782 1.938 . 0 0 "[ . 1 . 2]" 1
41 1 2 ASP HB2 1 3 VAL HA . . 6.500 4.616 4.530 4.699 . 0 0 "[ . 1 . 2]" 1
42 1 2 ASP HB2 1 4 GLU H . . 6.390 3.557 3.220 3.816 . 0 0 "[ . 1 . 2]" 1
43 1 2 ASP HB2 1 5 LYS H . . 4.890 4.606 4.386 4.859 . 0 0 "[ . 1 . 2]" 1
44 1 2 ASP HB2 1 6 GLY H . . 5.310 5.375 5.276 5.468 0.158 15 0 "[ . 1 . 2]" 1
45 1 2 ASP HB2 1 100 LYS HB2 . . 6.500 6.665 6.514 6.826 0.326 17 0 "[ . 1 . 2]" 1
46 1 2 ASP HB3 1 3 VAL H . . 4.920 3.444 3.334 3.489 . 0 0 "[ . 1 . 2]" 1
47 1 2 ASP HB3 1 3 VAL MG1 . . 6.500 6.500 6.345 6.548 0.048 14 0 "[ . 1 . 2]" 1
48 1 2 ASP HB3 1 4 GLU H . . 6.500 4.923 4.526 5.298 . 0 0 "[ . 1 . 2]" 1
49 1 2 ASP HB3 1 5 LYS H . . 5.500 5.267 4.932 5.550 0.050 11 0 "[ . 1 . 2]" 1
50 1 2 ASP HB3 1 5 LYS HG2 . . 6.500 5.401 4.895 6.571 0.071 14 0 "[ . 1 . 2]" 1
51 1 2 ASP HB3 1 5 LYS HG3 . . 6.500 5.321 4.791 6.130 . 0 0 "[ . 1 . 2]" 1
52 1 2 ASP HB3 1 6 GLY H . . 6.130 6.035 5.868 6.166 0.036 15 0 "[ . 1 . 2]" 1
53 1 3 VAL H 1 3 VAL HB . . 3.750 2.456 2.232 2.599 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL H 1 3 VAL MG1 . . 3.810 3.698 3.621 3.759 . 0 0 "[ . 1 . 2]" 1
55 1 3 VAL H 1 3 VAL MG2 . . 3.540 2.008 1.891 2.199 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL H 1 4 GLU H . . 3.940 2.538 2.455 2.622 . 0 0 "[ . 1 . 2]" 1
57 1 3 VAL H 1 4 GLU HA . . 5.720 5.213 5.145 5.308 . 0 0 "[ . 1 . 2]" 1
58 1 3 VAL H 1 4 GLU HB2 . . 4.940 4.547 4.460 4.699 . 0 0 "[ . 1 . 2]" 1
59 1 3 VAL H 1 4 GLU HB3 . . 5.860 5.986 5.933 6.055 0.195 2 0 "[ . 1 . 2]" 1
60 1 3 VAL H 1 4 GLU HG2 . . 6.490 5.643 3.838 6.455 . 0 0 "[ . 1 . 2]" 1
61 1 3 VAL H 1 4 GLU HG3 . . 6.500 4.689 4.041 5.517 . 0 0 "[ . 1 . 2]" 1
62 1 3 VAL H 1 5 LYS H . . 4.850 4.110 3.804 4.258 . 0 0 "[ . 1 . 2]" 1
63 1 3 VAL H 1 5 LYS HG2 . . 6.500 5.638 4.916 6.524 0.024 14 0 "[ . 1 . 2]" 1
64 1 3 VAL H 1 6 GLY H . . 6.500 4.367 4.240 4.518 . 0 0 "[ . 1 . 2]" 1
65 1 3 VAL H 1 96 ALA MB . . 4.750 3.650 3.343 4.006 . 0 0 "[ . 1 . 2]" 1
66 1 3 VAL H 1 97 TYR HA . . 6.400 4.890 4.606 5.111 . 0 0 "[ . 1 . 2]" 1
67 1 3 VAL H 1 100 LYS HB2 . . 6.500 5.423 5.267 5.639 . 0 0 "[ . 1 . 2]" 1
68 1 3 VAL H 1 100 LYS HB3 . . 6.500 5.871 5.683 6.110 . 0 0 "[ . 1 . 2]" 1
69 1 3 VAL H 1 100 LYS QD . . 6.500 6.119 5.055 6.620 0.120 9 0 "[ . 1 . 2]" 1
70 1 3 VAL HA 1 4 GLU H . . 4.500 3.553 3.486 3.603 . 0 0 "[ . 1 . 2]" 1
71 1 3 VAL HA 1 4 GLU HG2 . . 6.500 6.038 4.857 6.588 0.088 20 0 "[ . 1 . 2]" 1
72 1 3 VAL HA 1 4 GLU HG3 . . 6.500 5.684 4.772 6.653 0.153 17 0 "[ . 1 . 2]" 1
73 1 3 VAL HA 1 5 LYS H . . 5.450 4.639 4.407 4.843 . 0 0 "[ . 1 . 2]" 1
74 1 3 VAL HA 1 96 ALA MB . . 5.910 3.421 3.113 3.837 . 0 0 "[ . 1 . 2]" 1
75 1 3 VAL HA 1 97 TYR HA . . 5.840 2.367 2.073 2.676 . 0 0 "[ . 1 . 2]" 1
76 1 3 VAL HA 1 97 TYR HD1 . . 4.830 3.466 2.957 3.807 . 0 0 "[ . 1 . 2]" 1
77 1 3 VAL HB 1 4 GLU H . . 3.870 2.663 2.387 2.959 . 0 0 "[ . 1 . 2]" 1
78 1 3 VAL HB 1 4 GLU HA . . 5.530 4.226 4.046 4.400 . 0 0 "[ . 1 . 2]" 1
79 1 3 VAL HB 1 97 TYR H . . 6.500 6.353 6.082 6.547 0.047 5 0 "[ . 1 . 2]" 1
80 1 3 VAL HB 1 97 TYR HA . . 6.480 4.625 4.405 4.779 . 0 0 "[ . 1 . 2]" 1
81 1 3 VAL MG1 1 4 GLU H . . 4.350 3.653 3.395 3.887 . 0 0 "[ . 1 . 2]" 1
82 1 3 VAL MG1 1 4 GLU HA . . 6.400 3.642 3.244 3.893 . 0 0 "[ . 1 . 2]" 1
83 1 3 VAL MG1 1 5 LYS H . . 5.290 5.210 5.028 5.347 0.057 10 0 "[ . 1 . 2]" 1
84 1 3 VAL MG1 1 6 GLY HA3 . . 5.750 4.721 4.372 5.109 . 0 0 "[ . 1 . 2]" 1
85 1 3 VAL MG1 1 97 TYR H . . 5.000 4.630 4.474 4.921 . 0 0 "[ . 1 . 2]" 1
86 1 3 VAL MG1 1 97 TYR HA . . 5.570 2.289 2.130 2.578 . 0 0 "[ . 1 . 2]" 1
87 1 3 VAL MG1 1 97 TYR HD1 . . 4.230 2.078 2.006 2.164 . 0 0 "[ . 1 . 2]" 1
88 1 3 VAL MG1 1 97 TYR HD2 . . 6.500 5.440 5.130 5.675 . 0 0 "[ . 1 . 2]" 1
89 1 3 VAL MG1 1 100 LYS H . . 5.050 4.300 3.981 4.875 . 0 0 "[ . 1 . 2]" 1
90 1 3 VAL MG2 1 4 GLU H . . 4.180 3.792 3.560 3.996 . 0 0 "[ . 1 . 2]" 1
91 1 3 VAL MG2 1 5 LYS H . . 5.490 5.403 5.232 5.540 0.050 4 0 "[ . 1 . 2]" 1
92 1 3 VAL MG2 1 96 ALA H . . 6.500 5.717 5.265 6.176 . 0 0 "[ . 1 . 2]" 1
93 1 3 VAL MG2 1 96 ALA HA . . 6.070 4.479 4.020 4.946 . 0 0 "[ . 1 . 2]" 1
94 1 3 VAL MG2 1 96 ALA MB . . 4.740 3.142 2.757 3.551 . 0 0 "[ . 1 . 2]" 1
95 1 3 VAL MG2 1 97 TYR H . . 4.830 4.268 3.784 4.607 . 0 0 "[ . 1 . 2]" 1
96 1 3 VAL MG2 1 97 TYR HA . . 5.430 2.740 2.193 3.067 . 0 0 "[ . 1 . 2]" 1
97 1 3 VAL MG2 1 97 TYR HD1 . . 4.690 3.885 3.505 4.149 . 0 0 "[ . 1 . 2]" 1
98 1 3 VAL MG2 1 100 LYS H . . 5.180 3.783 3.265 4.094 . 0 0 "[ . 1 . 2]" 1
99 1 3 VAL MG2 1 100 LYS HB3 . . 4.790 2.636 2.231 2.835 . 0 0 "[ . 1 . 2]" 1
100 1 3 VAL MG2 1 101 ALA H . . 5.000 4.926 4.545 5.068 0.068 8 0 "[ . 1 . 2]" 1
101 1 4 GLU H 1 4 GLU HB2 . . 3.520 2.284 2.139 2.396 . 0 0 "[ . 1 . 2]" 1
102 1 4 GLU H 1 4 GLU HB3 . . 3.910 3.517 3.426 3.594 . 0 0 "[ . 1 . 2]" 1
103 1 4 GLU H 1 4 GLU HG2 . . 4.190 3.557 2.322 4.040 . 0 0 "[ . 1 . 2]" 1
104 1 4 GLU H 1 4 GLU HG3 . . 4.070 2.867 2.293 3.896 . 0 0 "[ . 1 . 2]" 1
105 1 4 GLU H 1 5 LYS HA . . 5.590 5.188 4.929 5.377 . 0 0 "[ . 1 . 2]" 1
106 1 4 GLU H 1 5 LYS QB . . 5.640 4.340 3.807 4.937 . 0 0 "[ . 1 . 2]" 1
107 1 4 GLU H 1 5 LYS QE . . 6.500 5.930 5.371 6.605 0.105 3 0 "[ . 1 . 2]" 1
108 1 4 GLU H 1 5 LYS HG2 . . 5.240 4.304 3.928 5.159 . 0 0 "[ . 1 . 2]" 1
109 1 4 GLU H 1 5 LYS HG3 . . 5.600 5.504 4.296 5.700 0.100 5 0 "[ . 1 . 2]" 1
110 1 4 GLU H 1 6 GLY H . . 4.260 3.551 3.129 3.939 . 0 0 "[ . 1 . 2]" 1
111 1 4 GLU H 1 96 ALA MB . . 5.890 5.302 4.924 5.714 . 0 0 "[ . 1 . 2]" 1
112 1 4 GLU HA 1 5 LYS H . . 4.410 3.520 3.469 3.587 . 0 0 "[ . 1 . 2]" 1
113 1 4 GLU HA 1 5 LYS HG2 . . 6.500 5.467 5.285 5.792 . 0 0 "[ . 1 . 2]" 1
114 1 4 GLU HA 1 7 LYS H . . 4.050 3.511 2.968 3.789 . 0 0 "[ . 1 . 2]" 1
115 1 4 GLU HA 1 7 LYS HB3 . . 6.080 4.667 4.111 5.071 . 0 0 "[ . 1 . 2]" 1
116 1 4 GLU HA 1 8 LYS H . . 5.360 4.952 4.524 5.389 0.029 5 0 "[ . 1 . 2]" 1
117 1 4 GLU HB2 1 5 LYS H . . 4.020 2.752 2.322 3.018 . 0 0 "[ . 1 . 2]" 1
118 1 4 GLU HB3 1 5 LYS H . . 4.010 3.502 3.132 3.781 . 0 0 "[ . 1 . 2]" 1
119 1 4 GLU HB3 1 6 GLY H . . 5.270 5.331 5.222 5.403 0.133 19 0 "[ . 1 . 2]" 1
120 1 4 GLU HB3 1 7 LYS H . . 5.550 5.571 5.215 5.723 0.173 1 0 "[ . 1 . 2]" 1
121 1 4 GLU HG2 1 5 LYS H . . 5.050 4.908 4.233 5.089 0.039 6 0 "[ . 1 . 2]" 1
122 1 4 GLU HG3 1 5 LYS H . . 5.530 4.630 4.249 5.086 . 0 0 "[ . 1 . 2]" 1
123 1 5 LYS H 1 5 LYS QB . . 3.320 2.386 2.236 2.645 . 0 0 "[ . 1 . 2]" 1
124 1 5 LYS H 1 5 LYS QE . . 5.710 4.310 4.054 4.817 . 0 0 "[ . 1 . 2]" 1
125 1 5 LYS H 1 5 LYS HG2 . . 3.710 2.346 2.064 2.910 . 0 0 "[ . 1 . 2]" 1
126 1 5 LYS H 1 5 LYS HG3 . . 4.200 3.513 2.254 3.752 . 0 0 "[ . 1 . 2]" 1
127 1 5 LYS H 1 6 GLY H . . 3.940 2.442 2.220 2.636 . 0 0 "[ . 1 . 2]" 1
128 1 5 LYS H 1 6 GLY HA2 . . 5.830 5.126 4.956 5.318 . 0 0 "[ . 1 . 2]" 1
129 1 5 LYS H 1 8 LYS H . . 5.370 5.382 5.084 5.526 0.156 17 0 "[ . 1 . 2]" 1
130 1 5 LYS H 1 8 LYS QB . . 6.500 6.055 5.616 6.358 . 0 0 "[ . 1 . 2]" 1
131 1 5 LYS H 1 93 ASP QB . . 5.160 4.497 4.181 4.963 . 0 0 "[ . 1 . 2]" 1
132 1 5 LYS HA 1 6 GLY H . . 4.510 3.527 3.470 3.559 . 0 0 "[ . 1 . 2]" 1
133 1 5 LYS HA 1 6 GLY HA2 . . 6.500 4.841 4.754 4.928 . 0 0 "[ . 1 . 2]" 1
134 1 5 LYS HA 1 6 GLY HA3 . . 6.500 5.354 5.331 5.377 . 0 0 "[ . 1 . 2]" 1
135 1 5 LYS HA 1 8 LYS H . . 4.570 3.890 3.517 4.177 . 0 0 "[ . 1 . 2]" 1
136 1 5 LYS HA 1 9 ILE H . . 5.920 5.455 5.197 5.842 . 0 0 "[ . 1 . 2]" 1
137 1 5 LYS QB 1 6 GLY H . . 3.660 2.598 2.427 2.774 . 0 0 "[ . 1 . 2]" 1
138 1 5 LYS QB 1 6 GLY HA2 . . 6.500 3.854 3.612 4.028 . 0 0 "[ . 1 . 2]" 1
139 1 5 LYS QB 1 6 GLY HA3 . . 6.400 4.195 4.007 4.364 . 0 0 "[ . 1 . 2]" 1
140 1 5 LYS QE 1 6 GLY H . . 5.960 5.802 5.050 6.064 0.104 4 0 "[ . 1 . 2]" 1
141 1 5 LYS HG2 1 6 GLY H . . 4.910 4.295 4.016 4.685 . 0 0 "[ . 1 . 2]" 1
142 1 5 LYS HG3 1 6 GLY H . . 4.890 4.841 3.974 5.028 0.138 3 0 "[ . 1 . 2]" 1
143 1 6 GLY H 1 7 LYS H . . 4.170 2.772 2.614 2.915 . 0 0 "[ . 1 . 2]" 1
144 1 6 GLY H 1 7 LYS HA . . 5.490 5.414 5.294 5.530 0.040 19 0 "[ . 1 . 2]" 1
145 1 6 GLY H 1 7 LYS QD . . 4.760 4.838 4.451 4.914 0.154 9 0 "[ . 1 . 2]" 1
146 1 6 GLY H 1 8 LYS H . . 5.870 4.353 4.072 4.514 . 0 0 "[ . 1 . 2]" 1
147 1 6 GLY H 1 8 LYS QB . . 5.730 5.462 5.091 5.756 0.026 7 0 "[ . 1 . 2]" 1
148 1 6 GLY H 1 9 ILE H . . 5.590 5.319 5.067 5.470 . 0 0 "[ . 1 . 2]" 1
149 1 6 GLY H 1 9 ILE HB . . 6.270 6.221 6.039 6.324 0.054 17 0 "[ . 1 . 2]" 1
150 1 6 GLY H 1 93 ASP HA . . 4.720 4.462 4.194 4.744 0.024 13 0 "[ . 1 . 2]" 1
151 1 6 GLY H 1 93 ASP QB . . 4.030 3.010 2.723 3.355 . 0 0 "[ . 1 . 2]" 1
152 1 6 GLY H 1 97 TYR HB2 . . 4.260 3.601 3.324 3.982 . 0 0 "[ . 1 . 2]" 1
153 1 6 GLY H 1 97 TYR HB3 . . 5.250 4.857 4.578 5.265 0.015 4 0 "[ . 1 . 2]" 1
154 1 6 GLY HA2 1 7 LYS H . . 4.700 3.578 3.540 3.605 . 0 0 "[ . 1 . 2]" 1
155 1 6 GLY HA2 1 7 LYS HA . . 6.500 4.938 4.739 5.026 . 0 0 "[ . 1 . 2]" 1
156 1 6 GLY HA2 1 7 LYS HB2 . . 6.500 5.688 5.424 6.576 0.076 12 0 "[ . 1 . 2]" 1
157 1 6 GLY HA2 1 8 LYS H . . 6.500 4.251 4.122 4.451 . 0 0 "[ . 1 . 2]" 1
158 1 6 GLY HA2 1 9 ILE H . . 4.970 3.536 3.283 3.792 . 0 0 "[ . 1 . 2]" 1
159 1 6 GLY HA2 1 9 ILE HB . . 6.390 3.505 3.278 3.665 . 0 0 "[ . 1 . 2]" 1
160 1 6 GLY HA2 1 9 ILE MD . . 5.510 3.951 3.535 4.194 . 0 0 "[ . 1 . 2]" 1
161 1 6 GLY HA2 1 10 PHE H . . 5.500 4.598 4.335 4.790 . 0 0 "[ . 1 . 2]" 1
162 1 6 GLY HA2 1 93 ASP QB . . 6.330 2.260 2.047 2.583 . 0 0 "[ . 1 . 2]" 1
163 1 6 GLY HA2 1 94 LEU H . . 4.430 3.579 3.416 3.786 . 0 0 "[ . 1 . 2]" 1
164 1 6 GLY HA2 1 94 LEU HB2 . . 6.500 4.356 4.108 4.757 . 0 0 "[ . 1 . 2]" 1
165 1 6 GLY HA2 1 94 LEU HB3 . . 6.500 5.485 5.294 5.803 . 0 0 "[ . 1 . 2]" 1
166 1 6 GLY HA2 1 97 TYR HB3 . . 5.320 3.872 3.722 4.089 . 0 0 "[ . 1 . 2]" 1
167 1 6 GLY HA2 1 97 TYR HD1 . . 6.500 6.535 6.337 6.598 0.098 2 0 "[ . 1 . 2]" 1
168 1 6 GLY HA3 1 7 LYS H . . 4.460 2.899 2.745 3.007 . 0 0 "[ . 1 . 2]" 1
169 1 6 GLY HA3 1 7 LYS HA . . 6.500 4.557 4.399 4.656 . 0 0 "[ . 1 . 2]" 1
170 1 6 GLY HA3 1 7 LYS HB3 . . 6.500 6.098 4.762 6.340 . 0 0 "[ . 1 . 2]" 1
171 1 6 GLY HA3 1 9 ILE H . . 6.130 4.697 4.489 4.922 . 0 0 "[ . 1 . 2]" 1
172 1 6 GLY HA3 1 9 ILE HB . . 6.500 4.786 4.530 4.983 . 0 0 "[ . 1 . 2]" 1
173 1 6 GLY HA3 1 93 ASP QB . . 6.500 3.079 2.851 3.340 . 0 0 "[ . 1 . 2]" 1
174 1 6 GLY HA3 1 97 TYR H . . 4.370 3.030 2.828 3.229 . 0 0 "[ . 1 . 2]" 1
175 1 6 GLY HA3 1 97 TYR HB3 . . 5.840 2.742 2.550 3.017 . 0 0 "[ . 1 . 2]" 1
176 1 6 GLY HA3 1 97 TYR HD1 . . 6.500 4.955 4.755 5.038 . 0 0 "[ . 1 . 2]" 1
177 1 6 GLY HA3 1 97 TYR HD2 . . 6.500 4.173 3.876 4.360 . 0 0 "[ . 1 . 2]" 1
178 1 7 LYS H 1 7 LYS HB2 . . 3.570 2.468 2.134 3.572 0.002 12 0 "[ . 1 . 2]" 1
179 1 7 LYS H 1 7 LYS HB3 . . 3.550 3.428 2.416 3.623 0.073 7 0 "[ . 1 . 2]" 1
180 1 7 LYS H 1 7 LYS QD . . 4.340 3.033 2.512 3.378 . 0 0 "[ . 1 . 2]" 1
181 1 7 LYS H 1 7 LYS QG . . 4.390 2.592 2.115 3.704 . 0 0 "[ . 1 . 2]" 1
182 1 7 LYS H 1 8 LYS H . . 3.940 2.867 2.659 3.033 . 0 0 "[ . 1 . 2]" 1
183 1 7 LYS H 1 8 LYS QE . . 6.230 5.844 4.655 6.370 0.140 6 0 "[ . 1 . 2]" 1
184 1 7 LYS H 1 9 ILE H . . 5.380 4.311 4.108 4.455 . 0 0 "[ . 1 . 2]" 1
185 1 7 LYS H 1 9 ILE HG12 . . 6.010 4.944 4.649 5.106 . 0 0 "[ . 1 . 2]" 1
186 1 7 LYS H 1 11 ILE MD . . 4.870 4.923 4.822 4.979 0.109 11 0 "[ . 1 . 2]" 1
187 1 7 LYS H 1 97 TYR HB2 . . 4.210 3.054 2.753 3.308 . 0 0 "[ . 1 . 2]" 1
188 1 7 LYS H 1 97 TYR HB3 . . 4.710 4.308 4.034 4.548 . 0 0 "[ . 1 . 2]" 1
189 1 7 LYS H 1 97 TYR HD1 . . 5.170 4.641 4.279 5.069 . 0 0 "[ . 1 . 2]" 1
190 1 7 LYS H 1 97 TYR HD2 . . 5.520 4.461 4.185 4.956 . 0 0 "[ . 1 . 2]" 1
191 1 7 LYS H 1 97 TYR HE1 . . 6.500 5.733 5.387 6.169 . 0 0 "[ . 1 . 2]" 1
192 1 7 LYS H 1 97 TYR HE2 . . 6.500 5.590 5.306 6.170 . 0 0 "[ . 1 . 2]" 1
193 1 7 LYS HA 1 8 LYS H . . 4.690 3.568 3.473 3.620 . 0 0 "[ . 1 . 2]" 1
194 1 7 LYS HA 1 9 ILE H . . 5.400 4.080 3.460 4.300 . 0 0 "[ . 1 . 2]" 1
195 1 7 LYS HA 1 10 PHE H . . 4.380 3.601 3.084 3.986 . 0 0 "[ . 1 . 2]" 1
196 1 7 LYS HA 1 10 PHE HB2 . . 6.160 3.803 3.161 4.397 . 0 0 "[ . 1 . 2]" 1
197 1 7 LYS HA 1 10 PHE HB3 . . 6.500 3.212 2.650 3.682 . 0 0 "[ . 1 . 2]" 1
198 1 7 LYS HA 1 11 ILE MD . . 5.610 3.522 3.100 3.827 . 0 0 "[ . 1 . 2]" 1
199 1 7 LYS HA 1 97 TYR HD1 . . 4.930 4.808 4.460 5.116 0.186 4 0 "[ . 1 . 2]" 1
200 1 7 LYS HA 1 97 TYR HD2 . . 4.920 3.071 2.755 4.064 . 0 0 "[ . 1 . 2]" 1
201 1 7 LYS HA 1 97 TYR HE2 . . 6.500 3.149 2.906 4.196 . 0 0 "[ . 1 . 2]" 1
202 1 7 LYS HB2 1 8 LYS H . . 3.790 2.776 2.321 3.923 0.133 1 0 "[ . 1 . 2]" 1
203 1 7 LYS HB2 1 8 LYS HA . . 6.500 4.546 3.886 4.983 . 0 0 "[ . 1 . 2]" 1
204 1 7 LYS HB2 1 9 ILE H . . 5.180 5.009 4.723 5.201 0.021 12 0 "[ . 1 . 2]" 1
205 1 7 LYS HB2 1 11 ILE MD . . 6.500 3.378 2.195 3.729 . 0 0 "[ . 1 . 2]" 1
206 1 7 LYS HB3 1 8 LYS H . . 4.470 3.409 2.851 3.956 . 0 0 "[ . 1 . 2]" 1
207 1 7 LYS HB3 1 8 LYS HA . . 6.380 4.294 3.735 5.892 . 0 0 "[ . 1 . 2]" 1
208 1 7 LYS HB3 1 9 ILE H . . 5.220 5.227 4.917 5.390 0.170 12 0 "[ . 1 . 2]" 1
209 1 7 LYS HB3 1 11 ILE MD . . 6.500 2.377 2.060 4.022 . 0 0 "[ . 1 . 2]" 1
210 1 7 LYS QD 1 8 LYS H . . 4.680 4.613 4.221 4.748 0.068 14 0 "[ . 1 . 2]" 1
211 1 7 LYS QD 1 97 TYR HE2 . . 5.840 5.357 3.827 5.897 0.057 17 0 "[ . 1 . 2]" 1
212 1 8 LYS H 1 8 LYS QB . . 3.610 2.528 2.136 2.752 . 0 0 "[ . 1 . 2]" 1
213 1 8 LYS H 1 8 LYS QD . . 4.600 3.337 2.123 4.604 0.004 19 0 "[ . 1 . 2]" 1
214 1 8 LYS H 1 8 LYS QE . . 5.860 4.185 3.474 4.634 . 0 0 "[ . 1 . 2]" 1
215 1 8 LYS H 1 8 LYS HG2 . . 4.280 2.528 1.926 4.369 0.089 19 0 "[ . 1 . 2]" 1
216 1 8 LYS H 1 8 LYS HG3 . . 4.310 3.474 2.278 4.348 0.038 19 0 "[ . 1 . 2]" 1
217 1 8 LYS H 1 9 ILE H . . 3.870 2.738 2.641 2.814 . 0 0 "[ . 1 . 2]" 1
218 1 8 LYS H 1 9 ILE HB . . 5.150 5.209 5.170 5.242 0.092 6 0 "[ . 1 . 2]" 1
219 1 8 LYS H 1 9 ILE HG13 . . 6.500 5.768 5.488 5.976 . 0 0 "[ . 1 . 2]" 1
220 1 8 LYS H 1 10 PHE H . . 5.350 4.440 4.314 4.548 . 0 0 "[ . 1 . 2]" 1
221 1 8 LYS H 1 11 ILE H . . 5.730 4.827 4.656 4.944 . 0 0 "[ . 1 . 2]" 1
222 1 8 LYS H 1 11 ILE HB . . 5.050 4.831 4.670 5.040 . 0 0 "[ . 1 . 2]" 1
223 1 8 LYS H 1 11 ILE MD . . 4.940 3.794 3.551 4.146 . 0 0 "[ . 1 . 2]" 1
224 1 8 LYS HA 1 9 ILE H . . 5.060 3.452 3.324 3.487 . 0 0 "[ . 1 . 2]" 1
225 1 8 LYS HA 1 9 ILE MD . . 6.500 4.797 4.540 4.959 . 0 0 "[ . 1 . 2]" 1
226 1 8 LYS HA 1 9 ILE MG . . 6.500 6.100 5.982 6.169 . 0 0 "[ . 1 . 2]" 1
227 1 8 LYS HA 1 11 ILE H . . 4.710 3.655 3.226 3.988 . 0 0 "[ . 1 . 2]" 1
228 1 8 LYS HA 1 11 ILE HA . . 6.500 5.418 5.022 5.868 . 0 0 "[ . 1 . 2]" 1
229 1 8 LYS HA 1 11 ILE HB . . 5.780 2.504 2.166 3.070 . 0 0 "[ . 1 . 2]" 1
230 1 8 LYS HA 1 11 ILE MD . . 6.500 2.726 2.214 3.569 . 0 0 "[ . 1 . 2]" 1
231 1 8 LYS HA 1 12 MET H . . 5.340 3.984 3.476 4.311 . 0 0 "[ . 1 . 2]" 1
232 1 8 LYS QB 1 9 ILE H . . 3.510 2.994 2.782 3.406 . 0 0 "[ . 1 . 2]" 1
233 1 8 LYS QB 1 9 ILE HA . . 6.500 4.106 3.903 4.463 . 0 0 "[ . 1 . 2]" 1
234 1 8 LYS QB 1 9 ILE MD . . 5.320 2.929 2.584 3.378 . 0 0 "[ . 1 . 2]" 1
235 1 8 LYS QB 1 9 ILE MG . . 6.500 5.076 4.761 5.401 . 0 0 "[ . 1 . 2]" 1
236 1 8 LYS QD 1 9 ILE H . . 5.600 4.942 4.265 5.619 0.019 4 0 "[ . 1 . 2]" 1
237 1 8 LYS QD 1 11 ILE H . . 6.500 5.637 5.069 6.624 0.124 13 0 "[ . 1 . 2]" 1
238 1 9 ILE H 1 9 ILE HB . . 3.550 2.664 2.599 2.757 . 0 0 "[ . 1 . 2]" 1
239 1 9 ILE H 1 9 ILE MD . . 4.030 2.995 2.819 3.342 . 0 0 "[ . 1 . 2]" 1
240 1 9 ILE H 1 9 ILE HG12 . . 3.740 2.219 2.022 2.541 . 0 0 "[ . 1 . 2]" 1
241 1 9 ILE H 1 9 ILE HG13 . . 4.020 3.714 3.560 3.967 . 0 0 "[ . 1 . 2]" 1
242 1 9 ILE H 1 9 ILE MG . . 4.800 3.819 3.772 3.885 . 0 0 "[ . 1 . 2]" 1
243 1 9 ILE H 1 10 PHE H . . 3.850 2.430 2.252 2.603 . 0 0 "[ . 1 . 2]" 1
244 1 9 ILE H 1 10 PHE HB2 . . 5.790 4.602 4.378 4.865 . 0 0 "[ . 1 . 2]" 1
245 1 9 ILE H 1 10 PHE HB3 . . 6.020 4.731 4.403 5.076 . 0 0 "[ . 1 . 2]" 1
246 1 9 ILE H 1 11 ILE H . . 5.850 3.845 3.749 3.925 . 0 0 "[ . 1 . 2]" 1
247 1 9 ILE H 1 11 ILE HA . . 6.500 6.581 6.518 6.625 0.125 19 0 "[ . 1 . 2]" 1
248 1 9 ILE H 1 11 ILE MD . . 6.500 4.840 4.646 5.067 . 0 0 "[ . 1 . 2]" 1
249 1 9 ILE H 1 93 ASP QB . . 6.500 4.842 4.533 5.021 . 0 0 "[ . 1 . 2]" 1
250 1 9 ILE H 1 94 LEU HA . . 6.500 4.865 4.651 5.085 . 0 0 "[ . 1 . 2]" 1
251 1 9 ILE H 1 94 LEU HB2 . . 5.720 5.477 5.193 5.669 . 0 0 "[ . 1 . 2]" 1
252 1 9 ILE H 1 94 LEU HG . . 6.500 4.673 4.494 4.935 . 0 0 "[ . 1 . 2]" 1
253 1 9 ILE HA 1 10 PHE H . . 4.640 3.556 3.507 3.577 . 0 0 "[ . 1 . 2]" 1
254 1 9 ILE HA 1 10 PHE HA . . 6.500 4.749 4.701 4.791 . 0 0 "[ . 1 . 2]" 1
255 1 9 ILE HA 1 12 MET H . . 4.810 3.554 3.336 3.752 . 0 0 "[ . 1 . 2]" 1
256 1 9 ILE HA 1 13 LYS H . . 5.060 4.102 3.821 4.529 . 0 0 "[ . 1 . 2]" 1
257 1 9 ILE HA 1 14 CYS HB2 . . 6.500 6.676 6.631 6.737 0.237 1 0 "[ . 1 . 2]" 1
258 1 9 ILE HA 1 94 LEU HB2 . . 6.500 5.515 5.300 5.772 . 0 0 "[ . 1 . 2]" 1
259 1 9 ILE HB 1 10 PHE H . . 3.680 2.531 2.397 2.767 . 0 0 "[ . 1 . 2]" 1
260 1 9 ILE HB 1 10 PHE HA . . 6.500 4.202 4.025 4.475 . 0 0 "[ . 1 . 2]" 1
261 1 9 ILE HB 1 10 PHE HB2 . . 6.500 3.969 3.811 4.242 . 0 0 "[ . 1 . 2]" 1
262 1 9 ILE HB 1 10 PHE HB3 . . 6.500 4.985 4.720 5.339 . 0 0 "[ . 1 . 2]" 1
263 1 9 ILE HB 1 12 MET H . . 6.500 5.548 5.298 5.732 . 0 0 "[ . 1 . 2]" 1
264 1 9 ILE HB 1 94 LEU H . . 4.750 4.078 3.648 4.307 . 0 0 "[ . 1 . 2]" 1
265 1 9 ILE MD 1 10 PHE H . . 4.550 4.566 4.495 4.616 0.066 5 0 "[ . 1 . 2]" 1
266 1 9 ILE MD 1 89 GLU HG2 . . 6.370 5.711 4.581 6.429 0.059 13 0 "[ . 1 . 2]" 1
267 1 9 ILE MD 1 89 GLU HG3 . . 5.970 5.551 4.667 6.139 0.169 10 0 "[ . 1 . 2]" 1
268 1 9 ILE MD 1 93 ASP H . . 4.900 4.858 4.610 4.942 0.042 5 0 "[ . 1 . 2]" 1
269 1 9 ILE MD 1 93 ASP QB . . 5.660 3.156 2.819 3.431 . 0 0 "[ . 1 . 2]" 1
270 1 9 ILE MD 1 94 LEU HA . . 5.560 5.160 4.961 5.349 . 0 0 "[ . 1 . 2]" 1
271 1 9 ILE HG12 1 10 PHE H . . 4.300 3.911 3.768 4.128 . 0 0 "[ . 1 . 2]" 1
272 1 9 ILE HG12 1 94 LEU H . . 4.070 4.103 4.050 4.141 0.071 10 0 "[ . 1 . 2]" 1
273 1 9 ILE MG 1 10 PHE H . . 4.400 3.667 3.498 3.809 . 0 0 "[ . 1 . 2]" 1
274 1 9 ILE MG 1 12 MET H . . 5.930 4.849 4.607 5.033 . 0 0 "[ . 1 . 2]" 1
275 1 9 ILE MG 1 13 LYS H . . 5.300 4.277 3.931 4.807 . 0 0 "[ . 1 . 2]" 1
276 1 9 ILE MG 1 13 LYS HB3 . . 6.350 4.747 3.400 5.823 . 0 0 "[ . 1 . 2]" 1
277 1 10 PHE H 1 10 PHE HB2 . . 3.660 2.333 2.153 2.494 . 0 0 "[ . 1 . 2]" 1
278 1 10 PHE H 1 10 PHE HB3 . . 3.660 2.637 2.452 2.919 . 0 0 "[ . 1 . 2]" 1
279 1 10 PHE H 1 10 PHE HD1 . . 5.110 4.371 3.913 4.692 . 0 0 "[ . 1 . 2]" 1
280 1 10 PHE H 1 10 PHE HD2 . . 5.640 4.946 4.722 5.187 . 0 0 "[ . 1 . 2]" 1
281 1 10 PHE H 1 11 ILE H . . 4.270 2.625 2.519 2.780 . 0 0 "[ . 1 . 2]" 1
282 1 10 PHE H 1 11 ILE HA . . 6.500 5.270 5.150 5.418 . 0 0 "[ . 1 . 2]" 1
283 1 10 PHE H 1 11 ILE MD . . 5.540 4.894 4.733 5.174 . 0 0 "[ . 1 . 2]" 1
284 1 10 PHE H 1 11 ILE HG12 . . 5.940 5.998 5.969 6.060 0.120 20 0 "[ . 1 . 2]" 1
285 1 10 PHE H 1 11 ILE HG13 . . 5.300 4.370 4.319 4.464 . 0 0 "[ . 1 . 2]" 1
286 1 10 PHE H 1 12 MET H . . 5.350 4.139 4.015 4.394 . 0 0 "[ . 1 . 2]" 1
287 1 10 PHE H 1 94 LEU HA . . 5.810 4.424 4.128 4.766 . 0 0 "[ . 1 . 2]" 1
288 1 10 PHE H 1 94 LEU QD . . 5.190 3.860 3.642 4.056 . 0 0 "[ . 1 . 2]" 1
289 1 10 PHE H 1 94 LEU HG . . 3.570 3.445 3.212 3.633 0.063 9 0 "[ . 1 . 2]" 1
290 1 10 PHE H 1 97 TYR HD2 . . 5.940 3.709 3.471 4.063 . 0 0 "[ . 1 . 2]" 1
291 1 10 PHE H 1 97 TYR HE2 . . 6.440 4.474 4.329 4.713 . 0 0 "[ . 1 . 2]" 1
292 1 10 PHE H 1 98 LEU MD2 . . 6.500 5.790 5.411 6.182 . 0 0 "[ . 1 . 2]" 1
293 1 10 PHE HA 1 10 PHE HE2 . . 6.500 5.741 5.575 5.924 . 0 0 "[ . 1 . 2]" 1
294 1 10 PHE HA 1 11 ILE H . . 5.560 3.563 3.528 3.617 . 0 0 "[ . 1 . 2]" 1
295 1 10 PHE HA 1 11 ILE HA . . 6.500 4.853 4.726 4.963 . 0 0 "[ . 1 . 2]" 1
296 1 10 PHE HA 1 11 ILE HB . . 6.500 5.764 5.616 5.879 . 0 0 "[ . 1 . 2]" 1
297 1 10 PHE HA 1 12 MET H . . 6.500 4.401 4.078 4.736 . 0 0 "[ . 1 . 2]" 1
298 1 10 PHE HA 1 13 LYS H . . 5.270 3.774 3.583 3.954 . 0 0 "[ . 1 . 2]" 1
299 1 10 PHE HA 1 14 CYS H . . 4.470 3.275 3.061 3.468 . 0 0 "[ . 1 . 2]" 1
300 1 10 PHE HA 1 14 CYS HB2 . . 6.500 2.209 2.089 2.322 . 0 0 "[ . 1 . 2]" 1
301 1 10 PHE HA 1 14 CYS HB3 . . 4.570 3.639 3.556 3.749 . 0 0 "[ . 1 . 2]" 1
302 1 10 PHE HA 1 15 SER H . . 5.520 3.975 3.743 4.218 . 0 0 "[ . 1 . 2]" 1
303 1 10 PHE HA 1 94 LEU HG . . 5.550 3.812 3.418 4.157 . 0 0 "[ . 1 . 2]" 1
304 1 10 PHE HB2 1 10 PHE HE2 . . 5.250 5.337 5.270 5.442 0.192 13 0 "[ . 1 . 2]" 1
305 1 10 PHE HB2 1 11 ILE H . . 4.160 3.686 3.491 3.892 . 0 0 "[ . 1 . 2]" 1
306 1 10 PHE HB2 1 12 MET H . . 6.500 5.758 5.525 6.123 . 0 0 "[ . 1 . 2]" 1
307 1 10 PHE HB2 1 14 CYS H . . 6.500 5.701 5.509 5.940 . 0 0 "[ . 1 . 2]" 1
308 1 10 PHE HB2 1 14 CYS HB2 . . 6.500 4.093 3.953 4.271 . 0 0 "[ . 1 . 2]" 1
309 1 10 PHE HB2 1 14 CYS HB3 . . 6.500 5.272 5.093 5.485 . 0 0 "[ . 1 . 2]" 1
310 1 10 PHE HB2 1 94 LEU HG . . 6.500 3.410 3.047 3.838 . 0 0 "[ . 1 . 2]" 1
311 1 10 PHE HB2 1 97 TYR HD2 . . 5.370 2.426 2.297 2.676 . 0 0 "[ . 1 . 2]" 1
312 1 10 PHE HB2 1 97 TYR HE2 . . 5.610 2.881 2.468 3.419 . 0 0 "[ . 1 . 2]" 1
313 1 10 PHE HB3 1 10 PHE HE2 . . 5.540 4.684 4.664 4.726 . 0 0 "[ . 1 . 2]" 1
314 1 10 PHE HB3 1 11 ILE H . . 4.710 2.525 2.333 2.654 . 0 0 "[ . 1 . 2]" 1
315 1 10 PHE HB3 1 12 MET H . . 6.500 5.074 4.802 5.364 . 0 0 "[ . 1 . 2]" 1
316 1 10 PHE HB3 1 14 CYS HB2 . . 6.500 4.253 3.981 4.449 . 0 0 "[ . 1 . 2]" 1
317 1 10 PHE HB3 1 14 CYS HB3 . . 6.500 5.732 5.495 5.931 . 0 0 "[ . 1 . 2]" 1
318 1 10 PHE HB3 1 94 LEU HG . . 5.890 4.979 4.599 5.491 . 0 0 "[ . 1 . 2]" 1
319 1 10 PHE HB3 1 97 TYR HD2 . . 5.450 3.234 2.598 3.835 . 0 0 "[ . 1 . 2]" 1
320 1 10 PHE HB3 1 97 TYR HE2 . . 5.630 2.406 2.187 2.779 . 0 0 "[ . 1 . 2]" 1
321 1 10 PHE HD1 1 11 ILE H . . 5.550 5.539 5.393 5.705 0.155 13 0 "[ . 1 . 2]" 1
322 1 10 PHE HD1 1 14 CYS H . . 6.430 5.291 4.975 5.547 . 0 0 "[ . 1 . 2]" 1
323 1 10 PHE HD1 1 15 SER H . . 6.500 5.443 5.049 5.745 . 0 0 "[ . 1 . 2]" 1
324 1 10 PHE HD2 1 11 ILE H . . 6.030 4.025 3.555 4.582 . 0 0 "[ . 1 . 2]" 1
325 1 10 PHE HD2 1 11 ILE HA . . 6.500 4.071 3.247 4.650 . 0 0 "[ . 1 . 2]" 1
326 1 10 PHE HD2 1 14 CYS H . . 6.500 5.652 5.182 6.174 . 0 0 "[ . 1 . 2]" 1
327 1 10 PHE HD2 1 14 CYS HB2 . . 6.500 4.163 3.782 4.522 . 0 0 "[ . 1 . 2]" 1
328 1 10 PHE HD2 1 14 CYS HB3 . . 6.500 5.390 4.910 5.859 . 0 0 "[ . 1 . 2]" 1
329 1 10 PHE HD2 1 15 SER H . . 6.500 4.386 3.923 5.288 . 0 0 "[ . 1 . 2]" 1
330 1 10 PHE HD2 1 20 VAL MG1 . . 6.500 4.425 3.566 5.092 . 0 0 "[ . 1 . 2]" 1
331 1 10 PHE HD2 1 98 LEU MD2 . . 6.500 4.936 4.200 5.413 . 0 0 "[ . 1 . 2]" 1
332 1 10 PHE HE1 1 14 CYS HB2 . . 6.500 3.832 3.634 4.105 . 0 0 "[ . 1 . 2]" 1
333 1 10 PHE HE1 1 20 VAL MG1 . . 6.020 3.702 3.109 4.262 . 0 0 "[ . 1 . 2]" 1
334 1 10 PHE HE1 1 32 LEU MD1 . . 6.140 3.407 2.636 4.059 . 0 0 "[ . 1 . 2]" 1
335 1 10 PHE HE2 1 14 CYS HB3 . . 6.430 5.325 4.710 5.929 . 0 0 "[ . 1 . 2]" 1
336 1 10 PHE HE2 1 20 VAL MG2 . . 6.500 3.162 2.513 4.078 . 0 0 "[ . 1 . 2]" 1
337 1 10 PHE HZ 1 18 HIS HB2 . . 6.500 2.577 2.262 2.921 . 0 0 "[ . 1 . 2]" 1
338 1 10 PHE HZ 1 18 HIS HB3 . . 6.500 2.375 2.217 2.661 . 0 0 "[ . 1 . 2]" 1
339 1 10 PHE HZ 1 19 THR HA . . 6.500 3.778 2.330 5.378 . 0 0 "[ . 1 . 2]" 1
340 1 10 PHE HZ 1 20 VAL H . . 6.500 4.587 3.175 6.073 . 0 0 "[ . 1 . 2]" 1
341 1 10 PHE HZ 1 20 VAL MG1 . . 6.220 2.550 2.293 2.957 . 0 0 "[ . 1 . 2]" 1
342 1 11 ILE H 1 11 ILE HB . . 3.230 2.378 2.286 2.491 . 0 0 "[ . 1 . 2]" 1
343 1 11 ILE H 1 11 ILE MD . . 4.410 3.353 3.260 3.448 . 0 0 "[ . 1 . 2]" 1
344 1 11 ILE H 1 11 ILE HG12 . . 3.650 3.560 3.428 3.670 0.020 13 0 "[ . 1 . 2]" 1
345 1 11 ILE H 1 11 ILE HG13 . . 4.110 2.201 2.101 2.325 . 0 0 "[ . 1 . 2]" 1
346 1 11 ILE H 1 11 ILE MG . . 4.160 3.749 3.699 3.779 . 0 0 "[ . 1 . 2]" 1
347 1 11 ILE H 1 12 MET H . . 4.110 2.837 2.698 2.924 . 0 0 "[ . 1 . 2]" 1
348 1 11 ILE H 1 12 MET HB2 . . 6.310 5.071 4.835 5.232 . 0 0 "[ . 1 . 2]" 1
349 1 11 ILE H 1 12 MET HB3 . . 5.180 5.084 4.808 5.224 0.044 14 0 "[ . 1 . 2]" 1
350 1 11 ILE H 1 13 LYS H . . 5.640 4.592 4.332 4.877 . 0 0 "[ . 1 . 2]" 1
351 1 11 ILE H 1 14 CYS H . . 6.500 4.909 4.833 5.047 . 0 0 "[ . 1 . 2]" 1
352 1 11 ILE H 1 15 SER HB3 . . 6.500 6.035 4.473 6.422 . 0 0 "[ . 1 . 2]" 1
353 1 11 ILE H 1 97 TYR HE2 . . 6.500 4.643 4.293 5.157 . 0 0 "[ . 1 . 2]" 1
354 1 11 ILE HA 1 12 MET H . . 5.530 3.569 3.495 3.628 . 0 0 "[ . 1 . 2]" 1
355 1 11 ILE HA 1 13 LYS H . . 6.500 4.865 4.604 5.124 . 0 0 "[ . 1 . 2]" 1
356 1 11 ILE HA 1 14 CYS H . . 5.890 4.454 4.142 4.813 . 0 0 "[ . 1 . 2]" 1
357 1 11 ILE HA 1 15 SER H . . 4.620 3.486 3.154 3.953 . 0 0 "[ . 1 . 2]" 1
358 1 11 ILE HA 1 15 SER HB2 . . 6.230 2.616 2.238 3.572 . 0 0 "[ . 1 . 2]" 1
359 1 11 ILE HA 1 15 SER HB3 . . 5.290 3.615 2.382 3.908 . 0 0 "[ . 1 . 2]" 1
360 1 11 ILE HB 1 12 MET H . . 3.780 2.881 2.599 3.226 . 0 0 "[ . 1 . 2]" 1
361 1 11 ILE HB 1 12 MET HB2 . . 5.870 4.417 3.952 4.776 . 0 0 "[ . 1 . 2]" 1
362 1 11 ILE HB 1 12 MET HB3 . . 6.500 5.219 4.861 5.633 . 0 0 "[ . 1 . 2]" 1
363 1 11 ILE MD 1 12 MET H . . 5.050 4.754 4.521 5.024 . 0 0 "[ . 1 . 2]" 1
364 1 11 ILE MD 1 97 TYR HE2 . . 6.210 4.878 3.931 5.922 . 0 0 "[ . 1 . 2]" 1
365 1 11 ILE HG13 1 12 MET H . . 5.930 4.560 4.437 4.668 . 0 0 "[ . 1 . 2]" 1
366 1 11 ILE MG 1 12 MET H . . 4.420 3.467 3.160 3.793 . 0 0 "[ . 1 . 2]" 1
367 1 11 ILE MG 1 13 LYS H . . 6.250 5.359 5.057 5.777 . 0 0 "[ . 1 . 2]" 1
368 1 11 ILE MG 1 15 SER H . . 5.610 5.227 4.929 5.442 . 0 0 "[ . 1 . 2]" 1
369 1 11 ILE MG 1 15 SER HB2 . . 6.500 3.964 3.450 4.309 . 0 0 "[ . 1 . 2]" 1
370 1 11 ILE MG 1 15 SER HB3 . . 6.500 4.608 3.979 5.092 . 0 0 "[ . 1 . 2]" 1
371 1 12 MET H 1 12 MET HB2 . . 3.750 2.422 2.206 2.551 . 0 0 "[ . 1 . 2]" 1
372 1 12 MET H 1 12 MET HB3 . . 3.990 2.508 2.297 2.657 . 0 0 "[ . 1 . 2]" 1
373 1 12 MET H 1 12 MET HG2 . . 4.420 4.459 4.409 4.511 0.091 14 0 "[ . 1 . 2]" 1
374 1 12 MET H 1 12 MET HG3 . . 4.550 4.373 4.229 4.554 0.004 2 0 "[ . 1 . 2]" 1
375 1 12 MET H 1 13 LYS H . . 3.800 2.749 2.441 3.025 . 0 0 "[ . 1 . 2]" 1
376 1 12 MET H 1 13 LYS HA . . 6.500 5.405 5.220 5.592 . 0 0 "[ . 1 . 2]" 1
377 1 12 MET H 1 13 LYS HB2 . . 5.870 4.901 4.359 5.255 . 0 0 "[ . 1 . 2]" 1
378 1 12 MET HA 1 13 LYS H . . 4.720 3.578 3.526 3.636 . 0 0 "[ . 1 . 2]" 1
379 1 12 MET HA 1 13 LYS HA . . 6.500 4.629 4.525 4.698 . 0 0 "[ . 1 . 2]" 1
380 1 12 MET HA 1 14 CYS H . . 6.290 4.980 4.710 5.210 . 0 0 "[ . 1 . 2]" 1
381 1 12 MET HA 1 15 SER H . . 6.500 5.781 5.342 6.075 . 0 0 "[ . 1 . 2]" 1
382 1 12 MET HB2 1 13 LYS H . . 3.630 3.748 3.640 3.808 0.178 3 0 "[ . 1 . 2]" 1
383 1 12 MET HB3 1 13 LYS H . . 4.070 2.422 2.182 2.694 . 0 0 "[ . 1 . 2]" 1
384 1 12 MET HB3 1 14 CYS H . . 5.590 4.697 4.452 4.972 . 0 0 "[ . 1 . 2]" 1
385 1 12 MET HG2 1 13 LYS H . . 5.720 3.891 3.456 4.552 . 0 0 "[ . 1 . 2]" 1
386 1 12 MET HG2 1 14 CYS H . . 6.500 5.893 5.456 6.660 0.160 3 0 "[ . 1 . 2]" 1
387 1 12 MET HG3 1 13 LYS H . . 5.690 4.424 3.202 4.823 . 0 0 "[ . 1 . 2]" 1
388 1 12 MET HG3 1 14 CYS H . . 6.500 6.359 5.222 6.611 0.111 18 0 "[ . 1 . 2]" 1
389 1 13 LYS H 1 13 LYS HB2 . . 3.780 2.400 2.222 2.545 . 0 0 "[ . 1 . 2]" 1
390 1 13 LYS H 1 13 LYS HB3 . . 4.300 3.508 2.563 3.744 . 0 0 "[ . 1 . 2]" 1
391 1 13 LYS H 1 13 LYS QD . . 4.070 3.794 2.923 4.154 0.084 2 0 "[ . 1 . 2]" 1
392 1 13 LYS H 1 13 LYS HE2 . . 6.500 5.572 4.451 6.572 0.072 2 0 "[ . 1 . 2]" 1
393 1 13 LYS H 1 13 LYS HE3 . . 6.500 5.614 4.635 6.558 0.058 5 0 "[ . 1 . 2]" 1
394 1 13 LYS H 1 13 LYS HG2 . . 5.090 3.920 2.586 4.643 . 0 0 "[ . 1 . 2]" 1
395 1 13 LYS H 1 13 LYS HG3 . . 5.280 3.470 2.481 4.620 . 0 0 "[ . 1 . 2]" 1
396 1 13 LYS H 1 14 CYS H . . 3.530 2.311 2.193 2.424 . 0 0 "[ . 1 . 2]" 1
397 1 13 LYS H 1 14 CYS HA . . 6.500 4.994 4.916 5.081 . 0 0 "[ . 1 . 2]" 1
398 1 13 LYS H 1 14 CYS HB3 . . 5.500 5.575 5.515 5.660 0.160 20 0 "[ . 1 . 2]" 1
399 1 13 LYS H 1 15 SER H . . 4.730 4.144 3.885 4.372 . 0 0 "[ . 1 . 2]" 1
400 1 13 LYS HA 1 13 LYS HE2 . . 6.500 4.908 4.435 5.855 . 0 0 "[ . 1 . 2]" 1
401 1 13 LYS HA 1 13 LYS HE3 . . 6.500 5.058 3.936 6.324 . 0 0 "[ . 1 . 2]" 1
402 1 13 LYS HA 1 14 CYS H . . 5.040 3.402 3.333 3.474 . 0 0 "[ . 1 . 2]" 1
403 1 13 LYS HA 1 14 CYS HA . . 6.500 4.648 4.595 4.709 . 0 0 "[ . 1 . 2]" 1
404 1 13 LYS HA 1 15 SER H . . 6.500 5.145 4.665 5.435 . 0 0 "[ . 1 . 2]" 1
405 1 13 LYS HA 1 82 PHE QE . . 6.500 4.126 3.162 5.130 . 0 0 "[ . 1 . 2]" 1
406 1 13 LYS HB2 1 14 CYS H . . 4.480 3.388 3.117 3.998 . 0 0 "[ . 1 . 2]" 1
407 1 13 LYS HB2 1 14 CYS HA . . 6.500 4.756 4.370 5.663 . 0 0 "[ . 1 . 2]" 1
408 1 13 LYS HB2 1 15 SER H . . 5.800 5.530 5.190 5.966 0.166 2 0 "[ . 1 . 2]" 1
409 1 13 LYS HB2 1 82 PHE HZ . . 5.820 4.371 3.724 5.178 . 0 0 "[ . 1 . 2]" 1
410 1 13 LYS HB3 1 14 CYS H . . 4.790 3.872 3.091 4.174 . 0 0 "[ . 1 . 2]" 1
411 1 13 LYS HB3 1 14 CYS HA . . 6.500 4.344 3.940 4.544 . 0 0 "[ . 1 . 2]" 1
412 1 13 LYS HB3 1 82 PHE HZ . . 4.820 3.346 2.362 4.326 . 0 0 "[ . 1 . 2]" 1
413 1 13 LYS QD 1 14 CYS H . . 5.170 5.047 4.620 5.311 0.141 18 0 "[ . 1 . 2]" 1
414 1 13 LYS QD 1 82 PHE QE . . 5.160 3.562 2.612 4.696 . 0 0 "[ . 1 . 2]" 1
415 1 13 LYS QD 1 82 PHE HZ . . 5.000 3.313 2.180 4.867 . 0 0 "[ . 1 . 2]" 1
416 1 13 LYS HE2 1 82 PHE QE . . 6.500 5.240 4.009 6.188 . 0 0 "[ . 1 . 2]" 1
417 1 13 LYS HG2 1 14 CYS H . . 6.500 5.254 4.562 5.745 . 0 0 "[ . 1 . 2]" 1
418 1 13 LYS HG2 1 82 PHE HZ . . 5.290 3.928 2.525 5.323 0.033 7 0 "[ . 1 . 2]" 1
419 1 13 LYS HG3 1 82 PHE QE . . 6.500 4.095 2.166 5.326 . 0 0 "[ . 1 . 2]" 1
420 1 14 CYS H 1 14 CYS HB3 . . 4.160 3.716 3.676 3.757 . 0 0 "[ . 1 . 2]" 1
421 1 14 CYS H 1 15 SER H . . 3.430 2.182 2.109 2.250 . 0 0 "[ . 1 . 2]" 1
422 1 14 CYS H 1 15 SER HA . . 5.390 4.901 4.803 4.967 . 0 0 "[ . 1 . 2]" 1
423 1 14 CYS H 1 15 SER HB2 . . 6.500 4.230 3.817 5.667 . 0 0 "[ . 1 . 2]" 1
424 1 14 CYS H 1 15 SER HB3 . . 5.600 5.579 4.628 5.710 0.110 14 0 "[ . 1 . 2]" 1
425 1 14 CYS H 1 16 GLN H . . 5.840 3.893 3.671 4.096 . 0 0 "[ . 1 . 2]" 1
426 1 14 CYS HA 1 15 SER H . . 5.140 3.541 3.485 3.587 . 0 0 "[ . 1 . 2]" 1
427 1 14 CYS HA 1 15 SER HA . . 6.080 4.902 4.738 5.052 . 0 0 "[ . 1 . 2]" 1
428 1 14 CYS HA 1 16 GLN H . . 6.500 4.106 3.983 4.258 . 0 0 "[ . 1 . 2]" 1
429 1 14 CYS HA 1 17 CYS H . . 5.940 3.983 3.753 4.097 . 0 0 "[ . 1 . 2]" 1
430 1 14 CYS HA 1 17 CYS HB3 . . 6.500 5.867 5.592 6.045 . 0 0 "[ . 1 . 2]" 1
431 1 14 CYS HA 1 18 HIS H . . 6.500 4.267 3.987 5.307 . 0 0 "[ . 1 . 2]" 1
432 1 14 CYS HA 1 18 HIS HD2 . . 5.730 3.393 3.253 3.600 . 0 0 "[ . 1 . 2]" 1
433 1 14 CYS HA 1 82 PHE QE . . 6.500 5.144 4.548 6.108 . 0 0 "[ . 1 . 2]" 1
434 1 14 CYS HB2 1 15 SER H . . 4.740 2.743 2.513 3.000 . 0 0 "[ . 1 . 2]" 1
435 1 14 CYS HB2 1 15 SER HA . . 6.450 4.152 3.977 4.333 . 0 0 "[ . 1 . 2]" 1
436 1 14 CYS HB2 1 18 HIS H . . 6.500 5.147 4.882 5.872 . 0 0 "[ . 1 . 2]" 1
437 1 14 CYS HB2 1 18 HIS HD2 . . 4.500 4.587 4.511 4.643 0.143 13 0 "[ . 1 . 2]" 1
438 1 14 CYS HB2 1 32 LEU MD1 . . 6.500 6.226 5.417 6.570 0.070 14 0 "[ . 1 . 2]" 1
439 1 14 CYS HB3 1 15 SER H . . 4.530 3.899 3.726 4.053 . 0 0 "[ . 1 . 2]" 1
440 1 14 CYS HB3 1 15 SER HB2 . . 6.500 6.131 5.903 6.601 0.101 3 0 "[ . 1 . 2]" 1
441 1 14 CYS HB3 1 18 HIS HD2 . . 6.500 3.047 2.991 3.099 . 0 0 "[ . 1 . 2]" 1
442 1 14 CYS HB3 1 32 LEU MD1 . . 6.500 5.181 4.278 5.631 . 0 0 "[ . 1 . 2]" 1
443 1 15 SER H 1 15 SER HB2 . . 4.370 2.401 2.147 3.536 . 0 0 "[ . 1 . 2]" 1
444 1 15 SER H 1 15 SER HB3 . . 3.980 3.503 2.586 3.629 . 0 0 "[ . 1 . 2]" 1
445 1 15 SER H 1 16 GLN H . . 4.780 2.675 2.589 2.900 . 0 0 "[ . 1 . 2]" 1
446 1 15 SER H 1 16 GLN HB2 . . 5.940 6.049 5.099 6.170 0.230 14 0 "[ . 1 . 2]" 1
447 1 15 SER H 1 17 CYS H . . 5.960 4.305 4.180 4.406 . 0 0 "[ . 1 . 2]" 1
448 1 15 SER H 1 17 CYS HB2 . . 6.130 6.148 5.955 6.251 0.121 18 0 "[ . 1 . 2]" 1
449 1 15 SER HA 1 16 GLN H . . 4.940 3.469 3.420 3.514 . 0 0 "[ . 1 . 2]" 1
450 1 15 SER HA 1 17 CYS H . . 5.410 3.556 3.392 3.747 . 0 0 "[ . 1 . 2]" 1
451 1 15 SER HA 1 18 HIS H . . 4.180 3.271 2.845 3.669 . 0 0 "[ . 1 . 2]" 1
452 1 15 SER HB2 1 16 GLN H . . 5.040 3.001 2.796 3.643 . 0 0 "[ . 1 . 2]" 1
453 1 15 SER HB2 1 16 GLN HB2 . . 6.500 6.052 4.676 6.513 0.013 3 0 "[ . 1 . 2]" 1
454 1 15 SER HB2 1 16 GLN HB3 . . 5.090 4.748 4.434 5.266 0.176 3 0 "[ . 1 . 2]" 1
455 1 15 SER HB2 1 16 GLN HE21 . . 6.500 5.127 4.620 6.494 . 0 0 "[ . 1 . 2]" 1
456 1 15 SER HB2 1 17 CYS H . . 6.180 5.090 4.983 5.226 . 0 0 "[ . 1 . 2]" 1
457 1 15 SER HB3 1 16 GLN H . . 5.890 3.743 3.345 4.039 . 0 0 "[ . 1 . 2]" 1
458 1 15 SER HB3 1 16 GLN HE21 . . 6.500 6.351 5.889 6.645 0.145 10 0 "[ . 1 . 2]" 1
459 1 15 SER HB3 1 17 CYS H . . 6.500 5.108 4.886 5.519 . 0 0 "[ . 1 . 2]" 1
460 1 16 GLN H 1 16 GLN HB2 . . 3.880 3.441 2.377 3.547 . 0 0 "[ . 1 . 2]" 1
461 1 16 GLN H 1 16 GLN HB3 . . 3.930 2.441 2.249 3.064 . 0 0 "[ . 1 . 2]" 1
462 1 16 GLN H 1 16 GLN HE21 . . 6.500 3.247 2.658 4.614 . 0 0 "[ . 1 . 2]" 1
463 1 16 GLN H 1 16 GLN HE22 . . 6.500 4.766 3.702 5.703 . 0 0 "[ . 1 . 2]" 1
464 1 16 GLN H 1 16 GLN HG2 . . 5.200 2.208 1.905 4.400 . 0 0 "[ . 1 . 2]" 1
465 1 16 GLN H 1 16 GLN HG3 . . 4.400 3.462 3.209 4.386 . 0 0 "[ . 1 . 2]" 1
466 1 16 GLN H 1 17 CYS H . . 4.320 2.834 2.725 2.923 . 0 0 "[ . 1 . 2]" 1
467 1 16 GLN H 1 17 CYS HB2 . . 6.500 5.109 4.980 5.176 . 0 0 "[ . 1 . 2]" 1
468 1 16 GLN H 1 17 CYS HB3 . . 6.500 6.494 6.367 6.545 0.045 15 0 "[ . 1 . 2]" 1
469 1 16 GLN H 1 18 HIS H . . 5.810 4.358 4.034 4.574 . 0 0 "[ . 1 . 2]" 1
470 1 16 GLN HA 1 17 CYS H . . 5.180 3.460 3.356 3.531 . 0 0 "[ . 1 . 2]" 1
471 1 16 GLN HA 1 18 HIS H . . 5.870 5.204 4.405 5.614 . 0 0 "[ . 1 . 2]" 1
472 1 16 GLN HB2 1 17 CYS H . . 4.710 4.133 3.953 4.303 . 0 0 "[ . 1 . 2]" 1
473 1 16 GLN HB3 1 17 CYS H . . 4.670 4.215 3.092 4.569 . 0 0 "[ . 1 . 2]" 1
474 1 16 GLN HB3 1 17 CYS HA . . 6.500 5.990 5.057 6.121 . 0 0 "[ . 1 . 2]" 1
475 1 16 GLN HB3 1 17 CYS HB2 . . 6.500 6.100 4.497 6.478 . 0 0 "[ . 1 . 2]" 1
476 1 16 GLN HG2 1 17 CYS H . . 5.380 3.050 2.395 4.139 . 0 0 "[ . 1 . 2]" 1
477 1 16 GLN HG2 1 18 HIS H . . 6.500 4.778 4.390 6.095 . 0 0 "[ . 1 . 2]" 1
478 1 16 GLN HG3 1 17 CYS H . . 5.020 3.338 2.821 4.852 . 0 0 "[ . 1 . 2]" 1
479 1 17 CYS H 1 17 CYS HB3 . . 4.070 3.786 3.720 3.860 . 0 0 "[ . 1 . 2]" 1
480 1 17 CYS H 1 18 HIS H . . 3.480 2.069 1.889 2.337 . 0 0 "[ . 1 . 2]" 1
481 1 17 CYS H 1 18 HIS HA . . 6.500 4.787 4.685 4.958 . 0 0 "[ . 1 . 2]" 1
482 1 17 CYS H 1 18 HIS HB2 . . 5.720 4.245 3.942 4.535 . 0 0 "[ . 1 . 2]" 1
483 1 17 CYS H 1 18 HIS HB3 . . 6.500 5.633 5.416 5.839 . 0 0 "[ . 1 . 2]" 1
484 1 17 CYS H 1 18 HIS HD2 . . 6.170 4.209 3.854 4.358 . 0 0 "[ . 1 . 2]" 1
485 1 17 CYS HA 1 18 HIS H . . 5.360 3.556 3.171 3.630 . 0 0 "[ . 1 . 2]" 1
486 1 17 CYS HA 1 18 HIS HA . . 6.500 4.662 4.487 4.727 . 0 0 "[ . 1 . 2]" 1
487 1 17 CYS HA 1 18 HIS HB2 . . 6.170 5.844 5.510 5.978 . 0 0 "[ . 1 . 2]" 1
488 1 17 CYS HA 1 29 GLY H . . 4.930 3.322 2.962 3.803 . 0 0 "[ . 1 . 2]" 1
489 1 17 CYS HA 1 29 GLY HA2 . . 6.500 5.430 5.035 5.606 . 0 0 "[ . 1 . 2]" 1
490 1 17 CYS HA 1 29 GLY HA3 . . 4.290 4.266 3.842 4.439 0.149 9 0 "[ . 1 . 2]" 1
491 1 17 CYS HB2 1 18 HIS H . . 5.390 2.768 2.325 3.808 . 0 0 "[ . 1 . 2]" 1
492 1 17 CYS HB2 1 18 HIS HB2 . . 6.390 4.524 4.319 4.813 . 0 0 "[ . 1 . 2]" 1
493 1 17 CYS HB2 1 18 HIS HB3 . . 6.500 5.645 5.459 5.878 . 0 0 "[ . 1 . 2]" 1
494 1 17 CYS HB2 1 18 HIS HD2 . . 5.050 3.073 2.914 3.254 . 0 0 "[ . 1 . 2]" 1
495 1 17 CYS HB2 1 28 THR HB . . 6.500 4.359 3.880 4.678 . 0 0 "[ . 1 . 2]" 1
496 1 17 CYS HB2 1 28 THR MG . . 6.500 4.513 4.025 4.930 . 0 0 "[ . 1 . 2]" 1
497 1 17 CYS HB2 1 29 GLY H . . 5.080 4.828 4.387 5.147 0.067 18 0 "[ . 1 . 2]" 1
498 1 17 CYS HB2 1 29 GLY HA2 . . 6.500 5.410 4.693 6.049 . 0 0 "[ . 1 . 2]" 1
499 1 17 CYS HB2 1 29 GLY HA3 . . 6.500 3.949 3.448 4.505 . 0 0 "[ . 1 . 2]" 1
500 1 17 CYS HB3 1 18 HIS H . . 4.770 3.650 3.291 4.403 . 0 0 "[ . 1 . 2]" 1
501 1 17 CYS HB3 1 18 HIS HA . . 6.500 4.492 4.127 4.945 . 0 0 "[ . 1 . 2]" 1
502 1 17 CYS HB3 1 18 HIS HB2 . . 5.770 5.401 5.126 5.642 . 0 0 "[ . 1 . 2]" 1
503 1 17 CYS HB3 1 18 HIS HB3 . . 6.500 6.072 5.881 6.302 . 0 0 "[ . 1 . 2]" 1
504 1 17 CYS HB3 1 18 HIS HD2 . . 4.760 4.180 3.956 4.353 . 0 0 "[ . 1 . 2]" 1
505 1 17 CYS HB3 1 28 THR HB . . 4.920 3.032 2.484 3.391 . 0 0 "[ . 1 . 2]" 1
506 1 17 CYS HB3 1 28 THR MG . . 3.980 3.341 2.651 3.816 . 0 0 "[ . 1 . 2]" 1
507 1 17 CYS HB3 1 29 GLY H . . 5.370 3.338 2.878 3.675 . 0 0 "[ . 1 . 2]" 1
508 1 17 CYS HB3 1 29 GLY HA2 . . 6.500 3.908 3.153 4.429 . 0 0 "[ . 1 . 2]" 1
509 1 17 CYS HB3 1 29 GLY HA3 . . 6.500 2.693 2.221 3.068 . 0 0 "[ . 1 . 2]" 1
510 1 18 HIS H 1 18 HIS HB2 . . 4.060 2.447 2.273 2.933 . 0 0 "[ . 1 . 2]" 1
511 1 18 HIS H 1 18 HIS HB3 . . 4.030 3.651 3.549 3.940 . 0 0 "[ . 1 . 2]" 1
512 1 18 HIS H 1 18 HIS HD1 . . 6.500 5.045 4.828 5.377 . 0 0 "[ . 1 . 2]" 1
513 1 18 HIS H 1 18 HIS HD2 . . 5.370 3.019 2.657 4.098 . 0 0 "[ . 1 . 2]" 1
514 1 18 HIS H 1 19 THR H . . 5.830 4.564 4.304 4.643 . 0 0 "[ . 1 . 2]" 1
515 1 18 HIS H 1 27 LYS HD2 . . 5.970 5.311 3.797 6.041 0.071 12 0 "[ . 1 . 2]" 1
516 1 18 HIS H 1 28 THR HB . . 5.820 5.577 5.374 5.788 . 0 0 "[ . 1 . 2]" 1
517 1 18 HIS H 1 28 THR MG . . 6.440 6.188 5.568 6.474 0.034 19 0 "[ . 1 . 2]" 1
518 1 18 HIS H 1 32 LEU MD1 . . 6.190 5.687 5.317 5.964 . 0 0 "[ . 1 . 2]" 1
519 1 18 HIS HA 1 19 THR H . . 3.780 2.291 2.150 2.404 . 0 0 "[ . 1 . 2]" 1
520 1 18 HIS HA 1 20 VAL H . . 6.500 6.364 6.086 6.553 0.053 12 0 "[ . 1 . 2]" 1
521 1 18 HIS HA 1 32 LEU H . . 6.180 5.996 5.053 6.256 0.076 8 0 "[ . 1 . 2]" 1
522 1 18 HIS HA 1 32 LEU MD1 . . 6.500 4.644 4.071 5.071 . 0 0 "[ . 1 . 2]" 1
523 1 18 HIS HA 1 32 LEU MD2 . . 6.500 6.054 5.824 6.466 . 0 0 "[ . 1 . 2]" 1
524 1 18 HIS HB2 1 19 THR H . . 4.900 3.752 3.475 4.012 . 0 0 "[ . 1 . 2]" 1
525 1 18 HIS HB2 1 19 THR HB . . 6.460 6.488 6.303 6.630 0.170 9 0 "[ . 1 . 2]" 1
526 1 18 HIS HB2 1 32 LEU MD1 . . 4.310 3.950 3.474 4.316 0.006 14 0 "[ . 1 . 2]" 1
527 1 18 HIS HB2 1 32 LEU MD2 . . 5.670 4.815 4.314 5.534 . 0 0 "[ . 1 . 2]" 1
528 1 18 HIS HB3 1 18 HIS HD2 . . 4.040 3.795 3.746 3.836 . 0 0 "[ . 1 . 2]" 1
529 1 18 HIS HB3 1 19 THR H . . 5.250 2.526 2.198 2.893 . 0 0 "[ . 1 . 2]" 1
530 1 18 HIS HB3 1 32 LEU MD1 . . 4.690 3.077 2.692 3.461 . 0 0 "[ . 1 . 2]" 1
531 1 18 HIS HB3 1 32 LEU MD2 . . 5.280 4.051 3.755 4.574 . 0 0 "[ . 1 . 2]" 1
532 1 18 HIS HD1 1 19 THR H . . 6.500 3.870 3.424 4.354 . 0 0 "[ . 1 . 2]" 1
533 1 18 HIS HD1 1 32 LEU HB2 . . 5.790 3.007 2.128 3.856 . 0 0 "[ . 1 . 2]" 1
534 1 18 HIS HD1 1 32 LEU HB3 . . 5.300 4.512 3.227 5.374 0.074 18 0 "[ . 1 . 2]" 1
535 1 18 HIS HD1 1 32 LEU MD1 . . 5.300 2.300 1.919 2.909 . 0 0 "[ . 1 . 2]" 1
536 1 18 HIS HD1 1 32 LEU MD2 . . 5.060 4.285 3.919 4.817 . 0 0 "[ . 1 . 2]" 1
537 1 18 HIS HD1 1 32 LEU HG . . 4.620 4.714 4.642 4.766 0.146 5 0 "[ . 1 . 2]" 1
538 1 18 HIS HE1 1 32 LEU MD1 . . 4.240 2.728 2.512 2.883 . 0 0 "[ . 1 . 2]" 1
539 1 18 HIS HE1 1 32 LEU MD2 . . 5.410 5.047 4.650 5.446 0.036 13 0 "[ . 1 . 2]" 1
540 1 19 THR H 1 19 THR MG . . 4.330 3.758 3.251 4.090 . 0 0 "[ . 1 . 2]" 1
541 1 19 THR H 1 20 VAL MG1 . . 6.500 4.211 3.925 4.533 . 0 0 "[ . 1 . 2]" 1
542 1 19 THR H 1 20 VAL MG2 . . 6.500 5.415 5.094 5.751 . 0 0 "[ . 1 . 2]" 1
543 1 19 THR H 1 30 PRO QB . . 6.500 5.572 4.877 6.160 . 0 0 "[ . 1 . 2]" 1
544 1 19 THR H 1 31 ASN HA . . 4.660 2.657 2.347 3.103 . 0 0 "[ . 1 . 2]" 1
545 1 19 THR H 1 31 ASN HB2 . . 6.500 4.718 4.032 5.470 . 0 0 "[ . 1 . 2]" 1
546 1 19 THR H 1 31 ASN HB3 . . 6.500 5.618 5.222 5.993 . 0 0 "[ . 1 . 2]" 1
547 1 19 THR H 1 31 ASN HD21 . . 6.370 5.303 3.752 6.402 0.032 6 0 "[ . 1 . 2]" 1
548 1 19 THR H 1 31 ASN HD22 . . 6.500 5.973 5.107 6.492 . 0 0 "[ . 1 . 2]" 1
549 1 19 THR H 1 32 LEU H . . 5.560 5.147 3.552 5.661 0.101 20 0 "[ . 1 . 2]" 1
550 1 19 THR H 1 32 LEU MD1 . . 6.080 4.662 3.982 5.553 . 0 0 "[ . 1 . 2]" 1
551 1 19 THR H 1 32 LEU MD2 . . 6.500 5.454 4.881 6.111 . 0 0 "[ . 1 . 2]" 1
552 1 19 THR HA 1 20 VAL H . . 3.710 2.366 2.149 2.576 . 0 0 "[ . 1 . 2]" 1
553 1 19 THR HA 1 20 VAL HA . . 6.500 4.503 4.292 4.629 . 0 0 "[ . 1 . 2]" 1
554 1 19 THR HA 1 20 VAL MG1 . . 6.500 3.712 3.165 4.246 . 0 0 "[ . 1 . 2]" 1
555 1 19 THR HA 1 20 VAL MG2 . . 6.500 3.725 3.437 4.098 . 0 0 "[ . 1 . 2]" 1
556 1 19 THR HB 1 20 VAL H . . 3.680 3.177 2.115 3.906 0.226 16 0 "[ . 1 . 2]" 1
557 1 19 THR HB 1 20 VAL HA . . 6.500 4.561 3.966 5.085 . 0 0 "[ . 1 . 2]" 1
558 1 19 THR HB 1 20 VAL MG1 . . 6.500 5.060 4.738 5.434 . 0 0 "[ . 1 . 2]" 1
559 1 19 THR HB 1 20 VAL MG2 . . 6.500 4.970 4.124 5.879 . 0 0 "[ . 1 . 2]" 1
560 1 19 THR HB 1 21 GLU HB3 . . 6.500 3.937 2.968 5.015 . 0 0 "[ . 1 . 2]" 1
561 1 19 THR HB 1 21 GLU QG . . 6.500 5.361 4.528 6.437 . 0 0 "[ . 1 . 2]" 1
562 1 19 THR HB 1 25 LYS H . . 5.820 4.773 3.807 5.968 0.148 19 0 "[ . 1 . 2]" 1
563 1 19 THR HB 1 31 ASN HD21 . . 6.370 4.958 3.823 6.207 . 0 0 "[ . 1 . 2]" 1
564 1 19 THR HB 1 31 ASN HD22 . . 6.150 4.873 3.948 5.848 . 0 0 "[ . 1 . 2]" 1
565 1 19 THR MG 1 20 VAL H . . 4.390 2.838 1.837 3.868 . 0 0 "[ . 1 . 2]" 1
566 1 19 THR MG 1 25 LYS H . . 5.930 4.988 3.771 5.947 0.017 20 0 "[ . 1 . 2]" 1
567 1 20 VAL H 1 20 VAL MG1 . . 4.180 3.033 2.647 3.414 . 0 0 "[ . 1 . 2]" 1
568 1 20 VAL H 1 20 VAL MG2 . . 3.420 2.297 2.025 2.615 . 0 0 "[ . 1 . 2]" 1
569 1 20 VAL H 1 21 GLU HA . . 5.040 4.382 3.892 4.781 . 0 0 "[ . 1 . 2]" 1
570 1 20 VAL H 1 21 GLU HB2 . . 5.830 3.769 3.000 4.496 . 0 0 "[ . 1 . 2]" 1
571 1 20 VAL H 1 21 GLU HB3 . . 6.400 4.739 4.255 5.683 . 0 0 "[ . 1 . 2]" 1
572 1 20 VAL H 1 21 GLU QG . . 5.630 5.447 4.774 5.804 0.174 11 0 "[ . 1 . 2]" 1
573 1 20 VAL H 1 22 LYS H . . 6.500 6.470 6.038 6.692 0.192 17 0 "[ . 1 . 2]" 1
574 1 20 VAL H 1 31 ASN HD21 . . 6.500 5.430 4.340 6.465 . 0 0 "[ . 1 . 2]" 1
575 1 20 VAL H 1 31 ASN HD22 . . 6.370 5.072 4.038 5.565 . 0 0 "[ . 1 . 2]" 1
576 1 20 VAL H 1 32 LEU MD1 . . 6.500 6.482 6.129 6.608 0.108 2 0 "[ . 1 . 2]" 1
577 1 20 VAL HA 1 32 LEU H . . 5.810 5.214 2.402 5.689 . 0 0 "[ . 1 . 2]" 1
578 1 20 VAL HA 1 32 LEU MD1 . . 6.500 5.385 4.601 6.216 . 0 0 "[ . 1 . 2]" 1
579 1 20 VAL HB 1 21 GLU HA . . 6.500 4.974 4.661 5.203 . 0 0 "[ . 1 . 2]" 1
580 1 20 VAL HB 1 31 ASN HD22 . . 5.860 5.321 4.556 5.905 0.045 19 0 "[ . 1 . 2]" 1
581 1 20 VAL HB 1 102 THR H . . 5.760 4.787 3.960 5.409 . 0 0 "[ . 1 . 2]" 1
582 1 20 VAL HB 1 102 THR MG . . 5.360 2.736 2.199 3.858 . 0 0 "[ . 1 . 2]" 1
583 1 20 VAL MG1 1 21 GLU HA . . 6.500 5.656 5.458 5.781 . 0 0 "[ . 1 . 2]" 1
584 1 20 VAL MG1 1 21 GLU HB2 . . 6.500 5.951 5.689 6.276 . 0 0 "[ . 1 . 2]" 1
585 1 20 VAL MG1 1 21 GLU HB3 . . 6.500 6.444 6.256 6.563 0.063 3 0 "[ . 1 . 2]" 1
586 1 20 VAL MG1 1 32 LEU H . . 5.810 5.030 3.484 5.560 . 0 0 "[ . 1 . 2]" 1
587 1 20 VAL MG1 1 32 LEU HB2 . . 5.000 3.143 2.307 3.974 . 0 0 "[ . 1 . 2]" 1
588 1 20 VAL MG1 1 32 LEU HB3 . . 6.340 2.300 2.118 2.716 . 0 0 "[ . 1 . 2]" 1
589 1 20 VAL MG1 1 32 LEU MD1 . . 4.330 3.636 3.075 3.932 . 0 0 "[ . 1 . 2]" 1
590 1 20 VAL MG1 1 33 HIS H . . 6.500 4.525 3.110 5.367 . 0 0 "[ . 1 . 2]" 1
591 1 20 VAL MG1 1 97 TYR HE2 . . 5.310 4.218 3.319 4.898 . 0 0 "[ . 1 . 2]" 1
592 1 20 VAL MG1 1 98 LEU HA . . 6.500 3.705 2.910 4.189 . 0 0 "[ . 1 . 2]" 1
593 1 20 VAL MG1 1 98 LEU MD2 . . 4.480 2.305 2.083 2.708 . 0 0 "[ . 1 . 2]" 1
594 1 20 VAL MG1 1 101 ALA H . . 6.500 5.448 4.823 6.052 . 0 0 "[ . 1 . 2]" 1
595 1 20 VAL MG1 1 101 ALA MB . . 5.320 3.321 2.752 3.846 . 0 0 "[ . 1 . 2]" 1
596 1 20 VAL MG1 1 102 THR H . . 6.500 4.780 3.906 5.936 . 0 0 "[ . 1 . 2]" 1
597 1 20 VAL MG1 1 102 THR HA . . 6.500 4.522 3.242 5.923 . 0 0 "[ . 1 . 2]" 1
598 1 20 VAL MG1 1 102 THR MG . . 4.490 2.426 2.143 3.048 . 0 0 "[ . 1 . 2]" 1
599 1 20 VAL MG2 1 21 GLU HA . . 6.500 3.951 3.285 4.495 . 0 0 "[ . 1 . 2]" 1
600 1 20 VAL MG2 1 21 GLU HB2 . . 6.500 4.593 4.079 5.212 . 0 0 "[ . 1 . 2]" 1
601 1 20 VAL MG2 1 21 GLU HB3 . . 6.500 5.566 5.104 6.108 . 0 0 "[ . 1 . 2]" 1
602 1 20 VAL MG2 1 21 GLU QG . . 6.500 5.342 4.717 5.878 . 0 0 "[ . 1 . 2]" 1
603 1 20 VAL MG2 1 22 LYS H . . 6.100 5.563 5.086 6.116 0.016 10 0 "[ . 1 . 2]" 1
604 1 20 VAL MG2 1 32 LEU MD1 . . 6.280 5.672 5.376 6.051 . 0 0 "[ . 1 . 2]" 1
605 1 20 VAL MG2 1 97 TYR HE2 . . 5.660 3.466 2.722 4.188 . 0 0 "[ . 1 . 2]" 1
606 1 20 VAL MG2 1 101 ALA H . . 6.150 5.039 4.606 5.764 . 0 0 "[ . 1 . 2]" 1
607 1 20 VAL MG2 1 102 THR H . . 6.260 5.054 4.644 5.560 . 0 0 "[ . 1 . 2]" 1
608 1 20 VAL MG2 1 102 THR MG . . 5.770 3.641 3.080 4.133 . 0 0 "[ . 1 . 2]" 1
609 1 21 GLU HA 1 22 LYS H . . 3.390 2.209 2.081 2.424 . 0 0 "[ . 1 . 2]" 1
610 1 21 GLU HA 1 22 LYS HA . . 6.500 4.444 4.371 4.595 . 0 0 "[ . 1 . 2]" 1
611 1 21 GLU HA 1 22 LYS HB2 . . 5.140 4.496 4.242 4.703 . 0 0 "[ . 1 . 2]" 1
612 1 21 GLU HA 1 22 LYS HB3 . . 6.500 5.306 4.447 5.889 . 0 0 "[ . 1 . 2]" 1
613 1 21 GLU HA 1 22 LYS HG3 . . 6.500 5.147 3.752 6.509 0.009 15 0 "[ . 1 . 2]" 1
614 1 21 GLU HA 1 24 GLY H . . 6.500 5.278 4.713 5.834 . 0 0 "[ . 1 . 2]" 1
615 1 21 GLU HB2 1 22 LYS H . . 4.530 4.197 3.897 4.383 . 0 0 "[ . 1 . 2]" 1
616 1 21 GLU HB2 1 22 LYS HA . . 6.500 6.153 5.994 6.260 . 0 0 "[ . 1 . 2]" 1
617 1 21 GLU HB2 1 24 GLY H . . 5.830 5.408 4.862 5.905 0.075 18 0 "[ . 1 . 2]" 1
618 1 21 GLU HB3 1 22 LYS H . . 4.680 3.969 3.635 4.293 . 0 0 "[ . 1 . 2]" 1
619 1 21 GLU HB3 1 22 LYS HA . . 6.500 5.219 4.889 5.577 . 0 0 "[ . 1 . 2]" 1
620 1 21 GLU HB3 1 23 GLY H . . 6.500 5.768 3.487 6.483 . 0 0 "[ . 1 . 2]" 1
621 1 21 GLU HB3 1 24 GLY H . . 5.660 3.767 3.148 4.350 . 0 0 "[ . 1 . 2]" 1
622 1 21 GLU HB3 1 24 GLY HA2 . . 6.500 3.577 2.269 5.499 . 0 0 "[ . 1 . 2]" 1
623 1 21 GLU HB3 1 31 ASN HD21 . . 6.500 4.784 3.450 5.633 . 0 0 "[ . 1 . 2]" 1
624 1 21 GLU QG 1 22 LYS H . . 4.560 2.536 2.131 2.875 . 0 0 "[ . 1 . 2]" 1
625 1 21 GLU QG 1 22 LYS HA . . 6.500 4.376 4.162 4.635 . 0 0 "[ . 1 . 2]" 1
626 1 21 GLU QG 1 22 LYS HB2 . . 6.500 4.008 3.166 4.968 . 0 0 "[ . 1 . 2]" 1
627 1 21 GLU QG 1 22 LYS HG3 . . 6.160 5.204 4.407 6.232 0.072 16 0 "[ . 1 . 2]" 1
628 1 21 GLU QG 1 23 GLY H . . 6.500 5.043 3.495 5.573 . 0 0 "[ . 1 . 2]" 1
629 1 21 GLU QG 1 24 GLY H . . 4.660 3.996 3.231 4.676 0.016 16 0 "[ . 1 . 2]" 1
630 1 22 LYS H 1 22 LYS HB2 . . 3.580 2.382 2.101 2.587 . 0 0 "[ . 1 . 2]" 1
631 1 22 LYS H 1 22 LYS HB3 . . 3.660 3.154 2.419 3.648 . 0 0 "[ . 1 . 2]" 1
632 1 22 LYS H 1 22 LYS QD . . 4.930 4.322 3.575 4.891 . 0 0 "[ . 1 . 2]" 1
633 1 22 LYS H 1 22 LYS QE . . 5.320 4.333 3.387 5.375 0.055 5 0 "[ . 1 . 2]" 1
634 1 22 LYS H 1 22 LYS HG2 . . 5.000 4.073 3.259 4.563 . 0 0 "[ . 1 . 2]" 1
635 1 22 LYS H 1 22 LYS HG3 . . 4.970 3.375 2.393 4.528 . 0 0 "[ . 1 . 2]" 1
636 1 22 LYS H 1 23 GLY H . . 6.270 4.511 3.621 4.706 . 0 0 "[ . 1 . 2]" 1
637 1 22 LYS H 1 23 GLY HA2 . . 6.500 6.379 5.776 6.544 0.044 4 0 "[ . 1 . 2]" 1
638 1 22 LYS H 1 23 GLY HA3 . . 5.980 5.692 4.960 6.005 0.025 10 0 "[ . 1 . 2]" 1
639 1 22 LYS H 1 24 GLY H . . 6.200 4.669 4.289 5.416 . 0 0 "[ . 1 . 2]" 1
640 1 22 LYS H 1 31 ASN HD22 . . 6.400 4.969 4.639 6.176 . 0 0 "[ . 1 . 2]" 1
641 1 22 LYS H 1 33 HIS HE1 . . 6.370 4.907 3.677 6.445 0.075 9 0 "[ . 1 . 2]" 1
642 1 22 LYS HA 1 22 LYS QE . . 5.720 4.249 3.483 4.716 . 0 0 "[ . 1 . 2]" 1
643 1 22 LYS HA 1 23 GLY H . . 3.950 2.182 2.033 2.431 . 0 0 "[ . 1 . 2]" 1
644 1 22 LYS HA 1 23 GLY HA2 . . 6.500 4.437 4.350 4.585 . 0 0 "[ . 1 . 2]" 1
645 1 22 LYS HA 1 23 GLY HA3 . . 6.500 4.512 4.389 4.648 . 0 0 "[ . 1 . 2]" 1
646 1 22 LYS HA 1 24 GLY H . . 4.180 3.676 2.993 4.263 0.083 17 0 "[ . 1 . 2]" 1
647 1 22 LYS HA 1 31 ASN HD21 . . 6.500 5.647 5.011 6.537 0.037 15 0 "[ . 1 . 2]" 1
648 1 22 LYS HA 1 33 HIS HE1 . . 6.500 4.103 2.827 5.737 . 0 0 "[ . 1 . 2]" 1
649 1 22 LYS HB2 1 23 GLY H . . 5.780 4.238 3.952 4.587 . 0 0 "[ . 1 . 2]" 1
650 1 22 LYS HB2 1 24 GLY H . . 6.500 5.478 5.021 6.408 . 0 0 "[ . 1 . 2]" 1
651 1 22 LYS HB3 1 23 GLY H . . 5.580 3.549 2.691 4.480 . 0 0 "[ . 1 . 2]" 1
652 1 22 LYS QD 1 23 GLY H . . 6.500 4.834 2.687 5.916 . 0 0 "[ . 1 . 2]" 1
653 1 22 LYS QE 1 23 GLY H . . 5.750 5.391 4.724 5.792 0.042 20 0 "[ . 1 . 2]" 1
654 1 22 LYS HG2 1 23 GLY H . . 5.150 3.740 2.751 4.874 . 0 0 "[ . 1 . 2]" 1
655 1 22 LYS HG2 1 24 GLY H . . 6.500 5.851 4.971 6.340 . 0 0 "[ . 1 . 2]" 1
656 1 22 LYS HG3 1 23 GLY H . . 5.100 4.258 2.854 5.106 0.006 13 0 "[ . 1 . 2]" 1
657 1 22 LYS HG3 1 24 GLY H . . 6.500 5.942 4.865 6.513 0.013 2 0 "[ . 1 . 2]" 1
658 1 23 GLY H 1 24 GLY H . . 4.850 2.909 1.901 3.597 . 0 0 "[ . 1 . 2]" 1
659 1 23 GLY H 1 31 ASN HD21 . . 6.500 5.880 5.043 6.577 0.077 20 0 "[ . 1 . 2]" 1
660 1 23 GLY HA2 1 24 GLY H . . 4.940 3.418 2.762 3.602 . 0 0 "[ . 1 . 2]" 1
661 1 23 GLY HA3 1 24 GLY H . . 4.840 3.060 2.386 3.596 . 0 0 "[ . 1 . 2]" 1
662 1 24 GLY H 1 25 LYS H . . 5.170 4.169 2.692 4.659 . 0 0 "[ . 1 . 2]" 1
663 1 24 GLY H 1 31 ASN HD21 . . 4.770 4.504 3.999 4.822 0.052 14 0 "[ . 1 . 2]" 1
664 1 24 GLY H 1 31 ASN HD22 . . 4.760 3.548 2.939 4.159 . 0 0 "[ . 1 . 2]" 1
665 1 24 GLY H 1 33 HIS HB2 . . 6.330 5.454 4.307 6.328 . 0 0 "[ . 1 . 2]" 1
666 1 24 GLY HA2 1 25 LYS H . . 3.920 2.260 2.104 3.038 . 0 0 "[ . 1 . 2]" 1
667 1 24 GLY HA2 1 25 LYS HA . . 6.500 4.527 4.406 4.718 . 0 0 "[ . 1 . 2]" 1
668 1 24 GLY HA2 1 25 LYS QD . . 6.500 5.113 3.630 6.036 . 0 0 "[ . 1 . 2]" 1
669 1 24 GLY HA2 1 25 LYS QG . . 6.500 4.422 3.469 6.034 . 0 0 "[ . 1 . 2]" 1
670 1 24 GLY HA2 1 31 ASN HD21 . . 5.580 3.325 2.871 4.620 . 0 0 "[ . 1 . 2]" 1
671 1 24 GLY HA2 1 31 ASN HD22 . . 4.480 2.916 2.411 3.699 . 0 0 "[ . 1 . 2]" 1
672 1 24 GLY HA2 1 33 HIS H . . 5.900 5.823 5.210 6.049 0.149 10 0 "[ . 1 . 2]" 1
673 1 24 GLY HA3 1 25 LYS H . . 3.460 2.940 2.469 3.501 0.041 15 0 "[ . 1 . 2]" 1
674 1 24 GLY HA3 1 25 LYS HB2 . . 6.500 5.429 4.597 6.251 . 0 0 "[ . 1 . 2]" 1
675 1 24 GLY HA3 1 25 LYS HB3 . . 6.500 6.019 5.014 6.574 0.074 7 0 "[ . 1 . 2]" 1
676 1 24 GLY HA3 1 25 LYS QD . . 6.500 5.862 3.841 6.577 0.077 14 0 "[ . 1 . 2]" 1
677 1 24 GLY HA3 1 25 LYS QE . . 6.490 6.153 4.511 6.675 0.185 12 0 "[ . 1 . 2]" 1
678 1 24 GLY HA3 1 25 LYS QG . . 6.500 4.901 3.073 6.111 . 0 0 "[ . 1 . 2]" 1
679 1 24 GLY HA3 1 31 ASN HD21 . . 4.610 3.791 2.579 4.677 0.067 15 0 "[ . 1 . 2]" 1
680 1 24 GLY HA3 1 31 ASN HD22 . . 5.000 3.678 2.158 4.551 . 0 0 "[ . 1 . 2]" 1
681 1 25 LYS H 1 25 LYS HB2 . . 3.990 2.888 2.266 4.017 0.027 1 0 "[ . 1 . 2]" 1
682 1 25 LYS H 1 25 LYS HB3 . . 3.640 3.645 3.327 3.878 0.238 19 0 "[ . 1 . 2]" 1
683 1 25 LYS H 1 25 LYS QD . . 4.580 4.112 2.450 4.591 0.011 3 0 "[ . 1 . 2]" 1
684 1 25 LYS H 1 25 LYS QE . . 5.640 4.941 2.522 5.673 0.033 12 0 "[ . 1 . 2]" 1
685 1 25 LYS H 1 25 LYS QG . . 3.820 3.318 2.323 3.877 0.057 16 0 "[ . 1 . 2]" 1
686 1 25 LYS H 1 26 HIS H . . 6.500 4.374 3.918 4.612 . 0 0 "[ . 1 . 2]" 1
687 1 25 LYS H 1 31 ASN HB2 . . 5.820 3.036 2.516 4.308 . 0 0 "[ . 1 . 2]" 1
688 1 25 LYS H 1 31 ASN HD21 . . 6.500 4.360 3.557 5.129 . 0 0 "[ . 1 . 2]" 1
689 1 25 LYS H 1 31 ASN HD22 . . 5.980 4.417 3.700 5.337 . 0 0 "[ . 1 . 2]" 1
690 1 25 LYS HA 1 26 HIS H . . 4.340 2.280 2.059 2.691 . 0 0 "[ . 1 . 2]" 1
691 1 25 LYS HB2 1 26 HIS H . . 5.210 3.804 2.252 4.376 . 0 0 "[ . 1 . 2]" 1
692 1 25 LYS HB3 1 26 HIS H . . 5.490 3.027 2.128 4.018 . 0 0 "[ . 1 . 2]" 1
693 1 25 LYS HB3 1 26 HIS HB2 . . 6.500 5.935 4.720 6.473 . 0 0 "[ . 1 . 2]" 1
694 1 25 LYS HB3 1 26 HIS HB3 . . 6.500 5.673 5.086 6.423 . 0 0 "[ . 1 . 2]" 1
695 1 25 LYS QG 1 26 HIS H . . 6.120 3.545 2.977 4.338 . 0 0 "[ . 1 . 2]" 1
696 1 25 LYS QG 1 26 HIS HB2 . . 6.500 6.309 5.249 6.674 0.174 6 0 "[ . 1 . 2]" 1
697 1 25 LYS QG 1 26 HIS HB3 . . 6.500 5.920 5.315 6.628 0.128 17 0 "[ . 1 . 2]" 1
698 1 26 HIS H 1 27 LYS HA . . 6.500 5.411 4.706 5.976 . 0 0 "[ . 1 . 2]" 1
699 1 26 HIS H 1 27 LYS HB3 . . 6.500 5.775 4.305 6.641 0.141 18 0 "[ . 1 . 2]" 1
700 1 26 HIS HA 1 27 LYS H . . 4.450 2.277 1.913 3.563 . 0 0 "[ . 1 . 2]" 1
701 1 26 HIS HA 1 27 LYS HB2 . . 6.500 5.176 3.803 6.128 . 0 0 "[ . 1 . 2]" 1
702 1 26 HIS HA 1 27 LYS HB3 . . 6.500 4.895 4.203 5.585 . 0 0 "[ . 1 . 2]" 1
703 1 26 HIS HA 1 27 LYS HD3 . . 6.500 6.238 5.401 6.618 0.118 1 0 "[ . 1 . 2]" 1
704 1 26 HIS HA 1 27 LYS QE . . 6.500 5.313 3.457 6.504 0.004 6 0 "[ . 1 . 2]" 1
705 1 26 HIS HA 1 27 LYS QG . . 6.500 3.613 2.591 4.235 . 0 0 "[ . 1 . 2]" 1
706 1 26 HIS HB2 1 27 LYS H . . 5.700 3.307 2.184 4.255 . 0 0 "[ . 1 . 2]" 1
707 1 26 HIS HB2 1 30 PRO HA . . 6.500 5.648 3.686 6.511 0.011 5 0 "[ . 1 . 2]" 1
708 1 26 HIS HB2 1 46 TYR QD . . 6.500 4.983 3.734 6.568 0.068 19 0 "[ . 1 . 2]" 1
709 1 26 HIS HB2 1 46 TYR QE . . 6.500 3.866 2.357 5.602 . 0 0 "[ . 1 . 2]" 1
710 1 26 HIS HB3 1 27 LYS H . . 5.590 3.834 2.257 4.216 . 0 0 "[ . 1 . 2]" 1
711 1 26 HIS HB3 1 30 PRO HA . . 6.500 5.765 3.599 6.649 0.149 1 0 "[ . 1 . 2]" 1
712 1 26 HIS HB3 1 46 TYR QD . . 6.500 5.106 2.340 6.501 0.001 6 0 "[ . 1 . 2]" 1
713 1 26 HIS HB3 1 46 TYR QE . . 6.500 3.965 2.748 4.881 . 0 0 "[ . 1 . 2]" 1
714 1 26 HIS HD1 1 27 LYS H . . 6.500 4.589 2.976 6.091 . 0 0 "[ . 1 . 2]" 1
715 1 27 LYS H 1 27 LYS HD2 . . 6.500 5.050 3.652 5.661 . 0 0 "[ . 1 . 2]" 1
716 1 27 LYS H 1 27 LYS HD3 . . 5.800 5.140 4.360 5.667 . 0 0 "[ . 1 . 2]" 1
717 1 27 LYS H 1 27 LYS QE . . 6.500 4.842 3.263 5.720 . 0 0 "[ . 1 . 2]" 1
718 1 27 LYS H 1 27 LYS QG . . 4.620 2.798 1.964 3.519 . 0 0 "[ . 1 . 2]" 1
719 1 27 LYS H 1 28 THR HA . . 6.430 5.254 4.882 5.956 . 0 0 "[ . 1 . 2]" 1
720 1 27 LYS H 1 30 PRO HA . . 6.160 4.710 3.774 6.201 0.041 17 0 "[ . 1 . 2]" 1
721 1 27 LYS H 1 46 TYR QD . . 6.500 5.216 4.118 6.377 . 0 0 "[ . 1 . 2]" 1
722 1 27 LYS HB2 1 29 GLY H . . 6.300 3.687 2.669 4.403 . 0 0 "[ . 1 . 2]" 1
723 1 27 LYS HB3 1 28 THR HB . . 6.500 5.322 3.639 6.318 . 0 0 "[ . 1 . 2]" 1
724 1 27 LYS HB3 1 29 GLY H . . 4.970 4.356 2.747 5.122 0.152 7 0 "[ . 1 . 2]" 1
725 1 27 LYS QE 1 29 GLY H . . 6.500 5.154 3.594 6.513 0.013 8 0 "[ . 1 . 2]" 1
726 1 28 THR HA 1 29 GLY H . . 5.260 3.546 3.456 3.638 . 0 0 "[ . 1 . 2]" 1
727 1 28 THR HA 1 29 GLY HA2 . . 6.500 4.608 4.442 4.694 . 0 0 "[ . 1 . 2]" 1
728 1 28 THR HA 1 29 GLY HA3 . . 6.500 5.220 4.999 5.329 . 0 0 "[ . 1 . 2]" 1
729 1 28 THR HB 1 29 GLY H . . 4.880 2.927 2.652 3.336 . 0 0 "[ . 1 . 2]" 1
730 1 28 THR HB 1 29 GLY HA2 . . 6.500 4.799 4.208 5.070 . 0 0 "[ . 1 . 2]" 1
731 1 28 THR MG 1 29 GLY H . . 5.000 3.881 3.426 4.242 . 0 0 "[ . 1 . 2]" 1
732 1 28 THR MG 1 29 GLY HA2 . . 6.500 4.297 3.789 4.743 . 0 0 "[ . 1 . 2]" 1
733 1 28 THR MG 1 29 GLY HA3 . . 6.500 4.414 3.870 4.789 . 0 0 "[ . 1 . 2]" 1
734 1 28 THR MG 1 80 MET HA . . 6.500 5.673 4.911 6.495 . 0 0 "[ . 1 . 2]" 1
735 1 29 GLY H 1 46 TYR QD . . 6.500 6.335 5.318 6.618 0.118 4 0 "[ . 1 . 2]" 1
736 1 29 GLY HA2 1 30 PRO HD2 . . 6.500 2.718 2.262 3.190 . 0 0 "[ . 1 . 2]" 1
737 1 29 GLY HA2 1 46 TYR QD . . 6.500 5.221 3.487 6.114 . 0 0 "[ . 1 . 2]" 1
738 1 29 GLY HA3 1 30 PRO HD2 . . 6.500 2.678 2.299 3.208 . 0 0 "[ . 1 . 2]" 1
739 1 29 GLY HA3 1 46 TYR QD . . 6.500 6.251 5.137 6.606 0.106 10 0 "[ . 1 . 2]" 1
740 1 30 PRO QG 1 32 LEU H . . 6.500 4.121 3.302 5.353 . 0 0 "[ . 1 . 2]" 1
741 1 31 ASN HA 1 31 ASN HD22 . . 4.790 4.169 3.810 4.506 . 0 0 "[ . 1 . 2]" 1
742 1 31 ASN HA 1 32 LEU H . . 3.650 3.364 2.176 3.620 . 0 0 "[ . 1 . 2]" 1
743 1 31 ASN HA 1 32 LEU HA . . 6.500 5.097 4.256 5.356 . 0 0 "[ . 1 . 2]" 1
744 1 31 ASN HA 1 32 LEU HB2 . . 6.500 3.944 3.402 4.701 . 0 0 "[ . 1 . 2]" 1
745 1 31 ASN HA 1 32 LEU HB3 . . 6.500 4.685 4.172 5.217 . 0 0 "[ . 1 . 2]" 1
746 1 31 ASN HA 1 32 LEU MD1 . . 6.500 4.933 3.849 5.996 . 0 0 "[ . 1 . 2]" 1
747 1 31 ASN HA 1 32 LEU MD2 . . 6.500 5.718 5.332 6.157 . 0 0 "[ . 1 . 2]" 1
748 1 31 ASN HA 1 33 HIS H . . 6.110 4.349 3.925 4.612 . 0 0 "[ . 1 . 2]" 1
749 1 31 ASN HB2 1 32 LEU H . . 5.410 4.292 3.948 4.556 . 0 0 "[ . 1 . 2]" 1
750 1 31 ASN HB2 1 33 HIS H . . 6.500 4.853 4.287 5.303 . 0 0 "[ . 1 . 2]" 1
751 1 31 ASN HB3 1 32 LEU H . . 5.450 3.380 2.575 4.040 . 0 0 "[ . 1 . 2]" 1
752 1 31 ASN HB3 1 33 HIS H . . 6.500 3.642 3.161 4.116 . 0 0 "[ . 1 . 2]" 1
753 1 31 ASN HD21 1 32 LEU H . . 4.500 4.385 3.524 4.637 0.137 15 0 "[ . 1 . 2]" 1
754 1 31 ASN HD21 1 32 LEU HB3 . . 5.590 5.150 4.655 5.641 0.051 18 0 "[ . 1 . 2]" 1
755 1 31 ASN HD21 1 33 HIS HB2 . . 5.360 2.956 2.138 4.129 . 0 0 "[ . 1 . 2]" 1
756 1 31 ASN HD21 1 33 HIS HB3 . . 5.450 3.944 2.662 5.573 0.123 5 0 "[ . 1 . 2]" 1
757 1 31 ASN HD22 1 32 LEU HB3 . . 5.830 5.926 5.691 6.083 0.253 4 0 "[ . 1 . 2]" 1
758 1 31 ASN HD22 1 33 HIS HB2 . . 6.080 3.041 2.292 4.360 . 0 0 "[ . 1 . 2]" 1
759 1 31 ASN HD22 1 33 HIS HB3 . . 5.930 4.020 2.601 5.802 . 0 0 "[ . 1 . 2]" 1
760 1 32 LEU H 1 32 LEU HB2 . . 4.190 3.016 2.114 3.247 . 0 0 "[ . 1 . 2]" 1
761 1 32 LEU H 1 32 LEU HB3 . . 4.010 3.796 3.139 4.064 0.054 4 0 "[ . 1 . 2]" 1
762 1 32 LEU H 1 32 LEU MD1 . . 4.930 3.663 2.611 4.601 . 0 0 "[ . 1 . 2]" 1
763 1 32 LEU H 1 32 LEU MD2 . . 4.930 4.839 4.349 4.979 0.049 5 0 "[ . 1 . 2]" 1
764 1 32 LEU H 1 32 LEU HG . . 4.340 4.274 3.915 4.443 0.103 20 0 "[ . 1 . 2]" 1
765 1 32 LEU H 1 33 HIS H . . 4.210 2.961 2.736 3.144 . 0 0 "[ . 1 . 2]" 1
766 1 32 LEU H 1 33 HIS HA . . 5.210 5.369 5.243 5.451 0.241 19 0 "[ . 1 . 2]" 1
767 1 32 LEU H 1 33 HIS HB2 . . 6.500 5.129 4.636 5.395 . 0 0 "[ . 1 . 2]" 1
768 1 32 LEU H 1 33 HIS HB3 . . 6.500 5.685 5.098 6.559 0.059 7 0 "[ . 1 . 2]" 1
769 1 32 LEU H 1 102 THR MG . . 5.770 5.541 4.504 5.843 0.073 6 0 "[ . 1 . 2]" 1
770 1 32 LEU HA 1 32 LEU MD2 . . 3.830 3.602 3.367 3.757 . 0 0 "[ . 1 . 2]" 1
771 1 32 LEU HA 1 33 HIS H . . 6.200 3.319 3.068 3.452 . 0 0 "[ . 1 . 2]" 1
772 1 32 LEU HA 1 33 HIS HB2 . . 6.500 5.518 5.181 5.828 . 0 0 "[ . 1 . 2]" 1
773 1 32 LEU HA 1 33 HIS HB3 . . 6.500 5.931 5.419 6.486 . 0 0 "[ . 1 . 2]" 1
774 1 32 LEU HA 1 35 LEU HB2 . . 6.500 3.593 2.956 4.256 . 0 0 "[ . 1 . 2]" 1
775 1 32 LEU HB2 1 33 HIS H . . 5.340 4.264 4.122 4.437 . 0 0 "[ . 1 . 2]" 1
776 1 32 LEU HB2 1 35 LEU HB2 . . 6.500 5.188 4.718 5.605 . 0 0 "[ . 1 . 2]" 1
777 1 32 LEU HB3 1 33 HIS H . . 5.380 3.776 3.531 4.213 . 0 0 "[ . 1 . 2]" 1
778 1 32 LEU HB3 1 35 LEU HB2 . . 6.500 4.451 3.454 5.240 . 0 0 "[ . 1 . 2]" 1
779 1 32 LEU MD1 1 33 HIS H . . 6.500 5.190 4.651 5.551 . 0 0 "[ . 1 . 2]" 1
780 1 32 LEU MD1 1 35 LEU H . . 6.500 5.958 5.719 6.412 . 0 0 "[ . 1 . 2]" 1
781 1 32 LEU MD1 1 35 LEU HB2 . . 6.410 4.262 4.022 4.424 . 0 0 "[ . 1 . 2]" 1
782 1 32 LEU MD1 1 35 LEU HB3 . . 6.500 5.283 5.003 5.694 . 0 0 "[ . 1 . 2]" 1
783 1 32 LEU MD1 1 35 LEU MD1 . . 4.510 3.165 2.555 4.543 0.033 6 0 "[ . 1 . 2]" 1
784 1 32 LEU MD1 1 35 LEU MD2 . . 6.500 3.403 2.756 4.481 . 0 0 "[ . 1 . 2]" 1
785 1 32 LEU MD1 1 98 LEU MD1 . . 4.580 3.599 2.967 4.138 . 0 0 "[ . 1 . 2]" 1
786 1 32 LEU MD1 1 98 LEU MD2 . . 4.290 3.796 3.269 4.196 . 0 0 "[ . 1 . 2]" 1
787 1 32 LEU MD1 1 102 THR MG . . 5.340 4.316 4.217 4.520 . 0 0 "[ . 1 . 2]" 1
788 1 32 LEU MD2 1 33 HIS H . . 6.020 4.977 4.208 5.646 . 0 0 "[ . 1 . 2]" 1
789 1 32 LEU MD2 1 35 LEU H . . 6.500 4.606 3.804 5.297 . 0 0 "[ . 1 . 2]" 1
790 1 32 LEU MD2 1 35 LEU HA . . 6.500 5.286 4.494 5.943 . 0 0 "[ . 1 . 2]" 1
791 1 32 LEU MD2 1 35 LEU HB2 . . 4.670 3.225 2.506 3.893 . 0 0 "[ . 1 . 2]" 1
792 1 32 LEU MD2 1 35 LEU HB3 . . 6.500 3.748 2.929 4.189 . 0 0 "[ . 1 . 2]" 1
793 1 32 LEU MD2 1 35 LEU MD1 . . 4.480 3.267 2.327 3.994 . 0 0 "[ . 1 . 2]" 1
794 1 32 LEU MD2 1 35 LEU MD2 . . 4.520 2.586 2.037 3.699 . 0 0 "[ . 1 . 2]" 1
795 1 32 LEU MD2 1 64 LEU QD . . 6.500 3.938 3.405 4.259 . 0 0 "[ . 1 . 2]" 1
796 1 32 LEU HG 1 33 HIS H . . 6.150 5.043 4.901 5.207 . 0 0 "[ . 1 . 2]" 1
797 1 32 LEU HG 1 35 LEU HA . . 6.500 4.704 4.149 5.312 . 0 0 "[ . 1 . 2]" 1
798 1 32 LEU HG 1 35 LEU HB2 . . 6.500 2.756 2.527 2.972 . 0 0 "[ . 1 . 2]" 1
799 1 32 LEU HG 1 35 LEU HB3 . . 6.500 4.132 3.735 4.568 . 0 0 "[ . 1 . 2]" 1
800 1 32 LEU HG 1 36 PHE H . . 6.500 6.574 6.418 6.679 0.179 13 0 "[ . 1 . 2]" 1
801 1 33 HIS H 1 33 HIS HB2 . . 4.150 2.357 2.137 2.628 . 0 0 "[ . 1 . 2]" 1
802 1 33 HIS H 1 33 HIS HB3 . . 4.020 2.916 2.538 3.636 . 0 0 "[ . 1 . 2]" 1
803 1 33 HIS H 1 34 GLY H . . 5.830 4.464 3.538 4.725 . 0 0 "[ . 1 . 2]" 1
804 1 33 HIS H 1 34 GLY HA2 . . 6.500 6.334 5.868 6.530 0.030 2 0 "[ . 1 . 2]" 1
805 1 33 HIS H 1 34 GLY HA3 . . 5.820 5.684 5.308 5.879 0.059 1 0 "[ . 1 . 2]" 1
806 1 33 HIS H 1 35 LEU H . . 6.500 5.139 4.639 6.074 . 0 0 "[ . 1 . 2]" 1
807 1 33 HIS H 1 102 THR HA . . 6.370 5.533 4.737 6.368 . 0 0 "[ . 1 . 2]" 1
808 1 33 HIS H 1 102 THR MG . . 5.570 4.284 3.838 4.956 . 0 0 "[ . 1 . 2]" 1
809 1 33 HIS HA 1 34 GLY H . . 3.520 2.266 2.104 2.571 . 0 0 "[ . 1 . 2]" 1
810 1 33 HIS HA 1 35 LEU H . . 4.730 3.589 3.154 4.227 . 0 0 "[ . 1 . 2]" 1
811 1 33 HIS HA 1 102 THR HA . . 5.790 2.975 2.443 3.790 . 0 0 "[ . 1 . 2]" 1
812 1 33 HIS HA 1 102 THR HB . . 6.270 2.563 2.076 3.942 . 0 0 "[ . 1 . 2]" 1
813 1 33 HIS HB2 1 34 GLY H . . 5.250 4.381 4.097 4.648 . 0 0 "[ . 1 . 2]" 1
814 1 33 HIS HB2 1 102 THR MG . . 6.500 4.468 3.694 5.807 . 0 0 "[ . 1 . 2]" 1
815 1 33 HIS HB3 1 34 GLY H . . 5.120 3.923 2.892 4.463 . 0 0 "[ . 1 . 2]" 1
816 1 33 HIS HB3 1 34 GLY HA2 . . 6.500 5.372 4.614 5.905 . 0 0 "[ . 1 . 2]" 1
817 1 33 HIS HB3 1 102 THR MG . . 6.500 5.145 4.700 6.333 . 0 0 "[ . 1 . 2]" 1
818 1 34 GLY H 1 35 LEU H . . 4.040 2.460 1.854 2.820 . 0 0 "[ . 1 . 2]" 1
819 1 34 GLY H 1 35 LEU HA . . 5.960 4.915 3.754 5.389 . 0 0 "[ . 1 . 2]" 1
820 1 34 GLY H 1 35 LEU HB2 . . 5.410 4.455 3.116 5.057 . 0 0 "[ . 1 . 2]" 1
821 1 34 GLY H 1 35 LEU HB3 . . 5.200 4.706 4.039 5.183 . 0 0 "[ . 1 . 2]" 1
822 1 34 GLY H 1 35 LEU MD1 . . 6.500 5.772 4.398 6.298 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLY H 1 36 PHE QD . . 5.410 5.191 4.719 5.442 0.032 6 0 "[ . 1 . 2]" 1
824 1 34 GLY H 1 38 ARG HD2 . . 6.500 6.243 5.158 6.607 0.107 16 0 "[ . 1 . 2]" 1
825 1 34 GLY H 1 102 THR H . . 6.500 5.596 5.042 6.321 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLY H 1 102 THR HA . . 4.550 3.470 2.731 4.480 . 0 0 "[ . 1 . 2]" 1
827 1 34 GLY H 1 102 THR HB . . 5.910 2.295 1.850 2.902 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLY H 1 102 THR MG . . 4.480 3.656 2.973 4.436 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLY HA2 1 35 LEU H . . 4.660 3.055 2.510 3.231 . 0 0 "[ . 1 . 2]" 1
830 1 34 GLY HA2 1 35 LEU HB3 . . 6.500 5.254 5.030 5.420 . 0 0 "[ . 1 . 2]" 1
831 1 34 GLY HA2 1 36 PHE H . . 5.820 3.915 3.570 4.288 . 0 0 "[ . 1 . 2]" 1
832 1 34 GLY HA2 1 102 THR HB . . 6.500 3.867 3.078 4.866 . 0 0 "[ . 1 . 2]" 1
833 1 34 GLY HA2 1 102 THR MG . . 6.500 5.242 4.614 6.114 . 0 0 "[ . 1 . 2]" 1
834 1 34 GLY HA3 1 35 LEU H . . 4.690 3.519 3.416 3.591 . 0 0 "[ . 1 . 2]" 1
835 1 34 GLY HA3 1 35 LEU HB2 . . 6.500 5.580 5.345 5.778 . 0 0 "[ . 1 . 2]" 1
836 1 34 GLY HA3 1 35 LEU HB3 . . 6.500 5.911 5.619 6.049 . 0 0 "[ . 1 . 2]" 1
837 1 34 GLY HA3 1 102 THR HB . . 6.500 4.804 4.476 5.454 . 0 0 "[ . 1 . 2]" 1
838 1 34 GLY HA3 1 102 THR MG . . 6.500 5.844 5.461 6.513 0.013 7 0 "[ . 1 . 2]" 1
839 1 35 LEU H 1 35 LEU HB2 . . 3.580 2.413 2.290 2.989 . 0 0 "[ . 1 . 2]" 1
840 1 35 LEU H 1 35 LEU HB3 . . 3.680 2.555 2.187 2.735 . 0 0 "[ . 1 . 2]" 1
841 1 35 LEU H 1 35 LEU MD1 . . 4.620 4.042 3.842 4.366 . 0 0 "[ . 1 . 2]" 1
842 1 35 LEU H 1 35 LEU MD2 . . 4.800 4.265 3.890 4.536 . 0 0 "[ . 1 . 2]" 1
843 1 35 LEU H 1 35 LEU HG . . 5.220 4.474 4.411 4.544 . 0 0 "[ . 1 . 2]" 1
844 1 35 LEU H 1 36 PHE H . . 4.680 2.870 2.145 3.218 . 0 0 "[ . 1 . 2]" 1
845 1 35 LEU H 1 36 PHE HB2 . . 6.180 5.041 4.320 5.370 . 0 0 "[ . 1 . 2]" 1
846 1 35 LEU H 1 36 PHE QD . . 4.950 3.749 3.221 4.390 . 0 0 "[ . 1 . 2]" 1
847 1 35 LEU H 1 36 PHE QE . . 6.090 5.043 4.480 5.765 . 0 0 "[ . 1 . 2]" 1
848 1 35 LEU H 1 102 THR HA . . 4.870 4.816 4.495 4.990 0.120 8 0 "[ . 1 . 2]" 1
849 1 35 LEU H 1 102 THR HB . . 4.780 2.561 2.287 2.898 . 0 0 "[ . 1 . 2]" 1
850 1 35 LEU H 1 102 THR MG . . 4.360 3.519 3.081 4.014 . 0 0 "[ . 1 . 2]" 1
851 1 35 LEU HA 1 36 PHE H . . 5.020 3.570 3.532 3.602 . 0 0 "[ . 1 . 2]" 1
852 1 35 LEU HA 1 36 PHE HB2 . . 6.500 5.852 5.754 5.935 . 0 0 "[ . 1 . 2]" 1
853 1 35 LEU HA 1 36 PHE QD . . 6.500 4.898 4.664 5.501 . 0 0 "[ . 1 . 2]" 1
854 1 35 LEU HA 1 38 ARG HG3 . . 6.500 3.323 2.903 4.001 . 0 0 "[ . 1 . 2]" 1
855 1 35 LEU HA 1 59 TRP HB2 . . 6.500 4.470 4.121 4.832 . 0 0 "[ . 1 . 2]" 1
856 1 35 LEU HA 1 102 THR HB . . 6.500 5.235 5.016 5.542 . 0 0 "[ . 1 . 2]" 1
857 1 35 LEU HB2 1 36 PHE H . . 4.700 3.926 3.724 4.154 . 0 0 "[ . 1 . 2]" 1
858 1 35 LEU HB2 1 36 PHE HB2 . . 6.500 6.079 5.855 6.503 0.003 17 0 "[ . 1 . 2]" 1
859 1 35 LEU HB2 1 36 PHE QD . . 6.500 4.183 3.905 5.358 . 0 0 "[ . 1 . 2]" 1
860 1 35 LEU HB2 1 36 PHE QE . . 6.500 4.427 3.903 5.903 . 0 0 "[ . 1 . 2]" 1
861 1 35 LEU HB2 1 38 ARG HG3 . . 6.500 5.628 5.141 6.343 . 0 0 "[ . 1 . 2]" 1
862 1 35 LEU HB2 1 59 TRP HB2 . . 6.500 5.538 5.259 5.886 . 0 0 "[ . 1 . 2]" 1
863 1 35 LEU HB2 1 59 TRP HB3 . . 6.500 5.377 5.080 5.640 . 0 0 "[ . 1 . 2]" 1
864 1 35 LEU HB2 1 102 THR HB . . 6.500 3.863 3.412 4.356 . 0 0 "[ . 1 . 2]" 1
865 1 35 LEU HB2 1 102 THR MG . . 6.500 3.331 2.799 3.997 . 0 0 "[ . 1 . 2]" 1
866 1 35 LEU HB3 1 36 PHE H . . 4.350 2.667 2.346 2.932 . 0 0 "[ . 1 . 2]" 1
867 1 35 LEU HB3 1 36 PHE HB2 . . 6.500 4.525 4.205 5.115 . 0 0 "[ . 1 . 2]" 1
868 1 35 LEU HB3 1 36 PHE HB3 . . 6.500 5.481 5.263 6.183 . 0 0 "[ . 1 . 2]" 1
869 1 35 LEU HB3 1 36 PHE QD . . 4.800 2.548 2.284 3.745 . 0 0 "[ . 1 . 2]" 1
870 1 35 LEU HB3 1 36 PHE QE . . 6.500 3.087 2.680 4.338 . 0 0 "[ . 1 . 2]" 1
871 1 35 LEU HB3 1 38 ARG HG3 . . 6.500 5.931 5.548 6.519 0.019 14 0 "[ . 1 . 2]" 1
872 1 35 LEU HB3 1 102 THR HB . . 6.500 3.713 3.336 4.136 . 0 0 "[ . 1 . 2]" 1
873 1 35 LEU HB3 1 102 THR MG . . 6.390 3.350 2.741 3.907 . 0 0 "[ . 1 . 2]" 1
874 1 35 LEU MD1 1 36 PHE H . . 5.270 4.586 3.183 4.933 . 0 0 "[ . 1 . 2]" 1
875 1 35 LEU MD1 1 36 PHE QD . . 4.920 4.769 3.082 5.013 0.093 15 0 "[ . 1 . 2]" 1
876 1 35 LEU MD1 1 36 PHE QE . . 4.750 4.645 3.115 4.868 0.118 20 0 "[ . 1 . 2]" 1
877 1 35 LEU MD1 1 59 TRP H . . 5.330 5.101 4.689 5.415 0.085 17 0 "[ . 1 . 2]" 1
878 1 35 LEU MD1 1 59 TRP HB3 . . 6.500 3.414 2.074 3.918 . 0 0 "[ . 1 . 2]" 1
879 1 35 LEU MD2 1 36 PHE H . . 5.780 4.131 2.770 4.545 . 0 0 "[ . 1 . 2]" 1
880 1 35 LEU MD2 1 38 ARG HD2 . . 6.500 5.338 2.634 6.640 0.140 18 0 "[ . 1 . 2]" 1
881 1 35 LEU MD2 1 38 ARG HD3 . . 6.500 6.081 3.776 6.610 0.110 10 0 "[ . 1 . 2]" 1
882 1 35 LEU MD2 1 59 TRP H . . 5.460 5.305 4.567 5.573 0.113 18 0 "[ . 1 . 2]" 1
883 1 35 LEU MD2 1 59 TRP HD1 . . 4.310 3.959 2.774 4.309 . 0 0 "[ . 1 . 2]" 1
884 1 35 LEU MD2 1 59 TRP HE1 . . 4.900 4.676 3.975 4.970 0.070 3 0 "[ . 1 . 2]" 1
885 1 35 LEU MD2 1 59 TRP HZ3 . . 5.410 5.355 4.791 5.494 0.084 7 0 "[ . 1 . 2]" 1
886 1 35 LEU HG 1 36 PHE H . . 5.280 4.072 3.639 4.873 . 0 0 "[ . 1 . 2]" 1
887 1 35 LEU HG 1 36 PHE HB2 . . 6.500 5.746 5.255 6.555 0.055 6 0 "[ . 1 . 2]" 1
888 1 35 LEU HG 1 37 GLY H . . 6.500 5.133 4.023 6.481 . 0 0 "[ . 1 . 2]" 1
889 1 35 LEU HG 1 38 ARG H . . 6.500 5.003 4.363 6.643 0.143 16 0 "[ . 1 . 2]" 1
890 1 35 LEU HG 1 59 TRP HB2 . . 6.440 2.892 2.329 5.210 . 0 0 "[ . 1 . 2]" 1
891 1 35 LEU HG 1 59 TRP HB3 . . 6.360 2.680 2.202 4.144 . 0 0 "[ . 1 . 2]" 1
892 1 35 LEU HG 1 60 GLY H . . 6.500 6.037 5.233 6.547 0.047 17 0 "[ . 1 . 2]" 1
893 1 36 PHE H 1 36 PHE HB2 . . 3.800 2.367 2.231 2.484 . 0 0 "[ . 1 . 2]" 1
894 1 36 PHE H 1 36 PHE HB3 . . 4.210 3.594 3.500 3.662 . 0 0 "[ . 1 . 2]" 1
895 1 36 PHE H 1 36 PHE QD . . 3.690 2.169 1.934 2.591 . 0 0 "[ . 1 . 2]" 1
896 1 36 PHE H 1 36 PHE QE . . 5.400 4.300 4.044 4.620 . 0 0 "[ . 1 . 2]" 1
897 1 36 PHE H 1 37 GLY H . . 5.850 4.379 3.811 4.730 . 0 0 "[ . 1 . 2]" 1
898 1 36 PHE H 1 38 ARG H . . 6.330 4.868 4.474 5.524 . 0 0 "[ . 1 . 2]" 1
899 1 36 PHE H 1 102 THR MG . . 6.230 4.819 4.310 5.338 . 0 0 "[ . 1 . 2]" 1
900 1 36 PHE H 1 103 ASN HD21 . . 6.500 6.249 5.711 6.602 0.102 6 0 "[ . 1 . 2]" 1
901 1 36 PHE H 1 103 ASN HD22 . . 6.500 4.971 4.409 5.389 . 0 0 "[ . 1 . 2]" 1
902 1 36 PHE HA 1 37 GLY H . . 3.320 2.182 2.080 2.348 . 0 0 "[ . 1 . 2]" 1
903 1 36 PHE HA 1 37 GLY HA3 . . 6.500 4.484 4.442 4.553 . 0 0 "[ . 1 . 2]" 1
904 1 36 PHE HA 1 38 ARG H . . 4.530 3.662 3.231 4.199 . 0 0 "[ . 1 . 2]" 1
905 1 36 PHE HB2 1 37 GLY H . . 5.110 4.408 4.002 4.651 . 0 0 "[ . 1 . 2]" 1
906 1 36 PHE HB2 1 37 GLY HA3 . . 6.500 5.211 4.945 5.467 . 0 0 "[ . 1 . 2]" 1
907 1 36 PHE HB2 1 103 ASN HD21 . . 5.920 4.606 4.339 4.943 . 0 0 "[ . 1 . 2]" 1
908 1 36 PHE HB2 1 103 ASN HD22 . . 6.500 3.125 2.690 3.552 . 0 0 "[ . 1 . 2]" 1
909 1 36 PHE HB3 1 37 GLY H . . 4.850 3.626 2.770 4.292 . 0 0 "[ . 1 . 2]" 1
910 1 36 PHE HB3 1 37 GLY HA2 . . 6.500 4.989 4.506 5.418 . 0 0 "[ . 1 . 2]" 1
911 1 36 PHE HB3 1 103 ASN HD21 . . 5.440 5.444 5.135 5.608 0.168 16 0 "[ . 1 . 2]" 1
912 1 36 PHE QD 1 37 GLY H . . 5.780 4.296 3.448 4.806 . 0 0 "[ . 1 . 2]" 1
913 1 36 PHE QD 1 60 GLY H . . 6.250 4.816 4.044 5.642 . 0 0 "[ . 1 . 2]" 1
914 1 36 PHE QD 1 60 GLY HA2 . . 4.660 2.492 2.147 3.118 . 0 0 "[ . 1 . 2]" 1
915 1 36 PHE QD 1 60 GLY HA3 . . 4.720 3.972 3.496 4.733 0.013 5 0 "[ . 1 . 2]" 1
916 1 36 PHE QD 1 61 GLU H . . 5.330 4.434 3.215 5.341 0.011 18 0 "[ . 1 . 2]" 1
917 1 36 PHE QD 1 99 LYS H . . 6.500 5.222 4.882 5.652 . 0 0 "[ . 1 . 2]" 1
918 1 36 PHE QD 1 99 LYS HA . . 6.500 3.628 3.019 4.261 . 0 0 "[ . 1 . 2]" 1
919 1 36 PHE QD 1 99 LYS HB2 . . 6.500 5.759 5.490 5.993 . 0 0 "[ . 1 . 2]" 1
920 1 36 PHE QD 1 99 LYS HB3 . . 6.500 5.363 5.054 5.616 . 0 0 "[ . 1 . 2]" 1
921 1 36 PHE QD 1 99 LYS HG3 . . 6.290 4.002 3.575 4.268 . 0 0 "[ . 1 . 2]" 1
922 1 36 PHE QD 1 102 THR H . . 6.320 5.029 4.674 5.318 . 0 0 "[ . 1 . 2]" 1
923 1 36 PHE QD 1 103 ASN HD21 . . 6.500 4.917 3.913 5.541 . 0 0 "[ . 1 . 2]" 1
924 1 36 PHE QD 1 103 ASN HD22 . . 6.500 3.745 2.788 4.276 . 0 0 "[ . 1 . 2]" 1
925 1 36 PHE QE 1 60 GLY H . . 6.500 4.546 3.248 5.505 . 0 0 "[ . 1 . 2]" 1
926 1 36 PHE QE 1 60 GLY HA2 . . 6.500 2.784 2.207 3.538 . 0 0 "[ . 1 . 2]" 1
927 1 36 PHE QE 1 60 GLY HA3 . . 6.500 4.344 3.885 5.034 . 0 0 "[ . 1 . 2]" 1
928 1 36 PHE QE 1 61 GLU H . . 5.100 3.879 2.626 4.497 . 0 0 "[ . 1 . 2]" 1
929 1 36 PHE QE 1 61 GLU HA . . 6.500 3.877 2.520 5.209 . 0 0 "[ . 1 . 2]" 1
930 1 36 PHE QE 1 61 GLU QB . . 6.500 4.710 2.362 6.118 . 0 0 "[ . 1 . 2]" 1
931 1 36 PHE QE 1 61 GLU HG2 . . 6.500 5.021 3.366 6.554 0.054 13 0 "[ . 1 . 2]" 1
932 1 36 PHE QE 1 61 GLU HG3 . . 5.150 4.650 3.636 5.260 0.110 20 0 "[ . 1 . 2]" 1
933 1 36 PHE QE 1 64 LEU HG . . 4.360 4.321 3.789 4.419 0.059 12 0 "[ . 1 . 2]" 1
934 1 36 PHE QE 1 95 ILE MG . . 4.350 2.788 2.263 3.858 . 0 0 "[ . 1 . 2]" 1
935 1 36 PHE QE 1 99 LYS H . . 5.250 3.872 2.986 4.624 . 0 0 "[ . 1 . 2]" 1
936 1 36 PHE QE 1 99 LYS HA . . 6.500 3.595 2.749 4.632 . 0 0 "[ . 1 . 2]" 1
937 1 36 PHE QE 1 99 LYS HB2 . . 5.970 4.996 4.446 5.536 . 0 0 "[ . 1 . 2]" 1
938 1 36 PHE QE 1 99 LYS HB3 . . 6.480 5.244 4.676 5.866 . 0 0 "[ . 1 . 2]" 1
939 1 36 PHE QE 1 99 LYS HD2 . . 4.610 4.429 4.050 4.712 0.102 16 0 "[ . 1 . 2]" 1
940 1 36 PHE QE 1 99 LYS QE . . 6.500 2.506 2.030 2.964 . 0 0 "[ . 1 . 2]" 1
941 1 37 GLY H 1 38 ARG H . . 3.830 2.376 1.902 2.939 . 0 0 "[ . 1 . 2]" 1
942 1 37 GLY H 1 38 ARG QB . . 5.310 5.031 4.353 5.342 0.032 4 0 "[ . 1 . 2]" 1
943 1 37 GLY H 1 38 ARG HG3 . . 6.500 4.889 4.208 6.008 . 0 0 "[ . 1 . 2]" 1
944 1 37 GLY H 1 58 ILE HA . . 5.880 5.611 5.151 5.946 0.066 16 0 "[ . 1 . 2]" 1
945 1 37 GLY H 1 58 ILE HB . . 6.500 5.551 3.078 6.626 0.126 14 0 "[ . 1 . 2]" 1
946 1 37 GLY H 1 58 ILE MD . . 4.230 2.793 2.001 3.800 . 0 0 "[ . 1 . 2]" 1
947 1 37 GLY H 1 59 TRP HB3 . . 5.550 4.590 3.988 5.061 . 0 0 "[ . 1 . 2]" 1
948 1 37 GLY HA2 1 38 ARG H . . 4.530 3.324 2.769 3.526 . 0 0 "[ . 1 . 2]" 1
949 1 37 GLY HA2 1 58 ILE MD . . 4.270 2.236 2.005 2.551 . 0 0 "[ . 1 . 2]" 1
950 1 37 GLY HA2 1 58 ILE HG13 . . 6.500 4.341 3.285 5.447 . 0 0 "[ . 1 . 2]" 1
951 1 37 GLY HA2 1 58 ILE MG . . 5.980 4.209 2.475 5.479 . 0 0 "[ . 1 . 2]" 1
952 1 37 GLY HA3 1 38 ARG H . . 4.610 3.404 3.160 3.619 . 0 0 "[ . 1 . 2]" 1
953 1 37 GLY HA3 1 58 ILE MD . . 5.660 3.657 3.400 4.015 . 0 0 "[ . 1 . 2]" 1
954 1 38 ARG H 1 38 ARG QB . . 3.700 3.033 2.618 3.209 . 0 0 "[ . 1 . 2]" 1
955 1 38 ARG H 1 38 ARG HD2 . . 5.780 4.703 4.297 5.253 . 0 0 "[ . 1 . 2]" 1
956 1 38 ARG H 1 38 ARG HD3 . . 6.430 4.874 4.466 5.139 . 0 0 "[ . 1 . 2]" 1
957 1 38 ARG H 1 38 ARG HG2 . . 3.920 2.504 2.138 2.818 . 0 0 "[ . 1 . 2]" 1
958 1 38 ARG H 1 38 ARG HG3 . . 4.940 2.849 2.443 3.832 . 0 0 "[ . 1 . 2]" 1
959 1 38 ARG H 1 58 ILE HA . . 6.500 5.192 4.300 6.507 0.007 20 0 "[ . 1 . 2]" 1
960 1 38 ARG H 1 58 ILE MD . . 4.440 3.431 2.177 4.459 0.019 16 0 "[ . 1 . 2]" 1
961 1 38 ARG H 1 59 TRP H . . 5.700 3.892 3.167 4.926 . 0 0 "[ . 1 . 2]" 1
962 1 38 ARG H 1 59 TRP HB2 . . 4.860 3.482 2.819 3.879 . 0 0 "[ . 1 . 2]" 1
963 1 38 ARG H 1 59 TRP HB3 . . 5.300 5.141 4.274 5.469 0.169 19 0 "[ . 1 . 2]" 1
964 1 38 ARG H 1 59 TRP HD1 . . 6.020 3.760 3.306 4.269 . 0 0 "[ . 1 . 2]" 1
965 1 38 ARG HA 1 39 LYS H . . 4.160 2.269 2.144 2.438 . 0 0 "[ . 1 . 2]" 1
966 1 38 ARG HA 1 39 LYS HA . . 6.500 4.519 4.464 4.599 . 0 0 "[ . 1 . 2]" 1
967 1 38 ARG HA 1 39 LYS HB3 . . 6.500 5.805 5.654 5.973 . 0 0 "[ . 1 . 2]" 1
968 1 38 ARG HA 1 40 THR H . . 6.500 6.166 5.442 6.562 0.062 6 0 "[ . 1 . 2]" 1
969 1 38 ARG QB 1 39 LYS H . . 4.310 2.440 2.076 2.805 . 0 0 "[ . 1 . 2]" 1
970 1 38 ARG QB 1 39 LYS HA . . 6.500 4.326 4.074 4.563 . 0 0 "[ . 1 . 2]" 1
971 1 38 ARG QB 1 39 LYS HB2 . . 6.500 4.445 3.895 5.006 . 0 0 "[ . 1 . 2]" 1
972 1 38 ARG QB 1 39 LYS HB3 . . 6.500 5.401 4.943 5.810 . 0 0 "[ . 1 . 2]" 1
973 1 38 ARG QB 1 40 THR H . . 6.500 5.118 4.023 5.478 . 0 0 "[ . 1 . 2]" 1
974 1 38 ARG QB 1 59 TRP H . . 6.300 5.602 4.958 6.355 0.055 8 0 "[ . 1 . 2]" 1
975 1 38 ARG QB 1 59 TRP HD1 . . 4.630 4.353 3.554 4.600 . 0 0 "[ . 1 . 2]" 1
976 1 38 ARG QB 1 59 TRP HE1 . . 5.640 5.538 5.190 5.763 0.123 18 0 "[ . 1 . 2]" 1
977 1 38 ARG HD2 1 40 THR H . . 6.500 6.248 5.271 6.725 0.225 17 0 "[ . 1 . 2]" 1
978 1 38 ARG HD2 1 59 TRP HD1 . . 6.500 4.008 3.120 5.284 . 0 0 "[ . 1 . 2]" 1
979 1 38 ARG HD3 1 40 THR H . . 6.500 5.306 4.259 6.590 0.090 14 0 "[ . 1 . 2]" 1
980 1 38 ARG HD3 1 59 TRP HD1 . . 6.500 4.101 3.252 4.629 . 0 0 "[ . 1 . 2]" 1
981 1 38 ARG HG2 1 39 LYS H . . 6.500 4.856 4.245 5.089 . 0 0 "[ . 1 . 2]" 1
982 1 38 ARG HG2 1 59 TRP HD1 . . 4.580 3.561 2.240 4.293 . 0 0 "[ . 1 . 2]" 1
983 1 38 ARG HG2 1 59 TRP HE1 . . 6.500 5.506 4.138 6.312 . 0 0 "[ . 1 . 2]" 1
984 1 38 ARG HG3 1 39 LYS H . . 5.220 3.929 3.030 4.362 . 0 0 "[ . 1 . 2]" 1
985 1 38 ARG HG3 1 40 THR MG . . 6.500 4.174 2.354 6.370 . 0 0 "[ . 1 . 2]" 1
986 1 38 ARG HG3 1 59 TRP HE1 . . 6.500 4.080 3.209 4.597 . 0 0 "[ . 1 . 2]" 1
987 1 39 LYS H 1 39 LYS HB3 . . 4.370 3.686 3.492 3.953 . 0 0 "[ . 1 . 2]" 1
988 1 39 LYS H 1 39 LYS QD . . 5.280 4.188 2.722 5.079 . 0 0 "[ . 1 . 2]" 1
989 1 39 LYS H 1 39 LYS QG . . 4.590 2.933 2.371 3.972 . 0 0 "[ . 1 . 2]" 1
990 1 39 LYS H 1 40 THR H . . 6.500 4.458 3.930 4.632 . 0 0 "[ . 1 . 2]" 1
991 1 39 LYS HA 1 40 THR H . . 5.540 2.284 2.043 2.542 . 0 0 "[ . 1 . 2]" 1
992 1 39 LYS HA 1 40 THR HA . . 6.500 4.450 4.175 4.616 . 0 0 "[ . 1 . 2]" 1
993 1 39 LYS HA 1 40 THR MG . . 6.500 4.091 3.207 5.489 . 0 0 "[ . 1 . 2]" 1
994 1 39 LYS HA 1 58 ILE HA . . 5.250 3.837 2.610 5.336 0.086 8 0 "[ . 1 . 2]" 1
995 1 39 LYS HA 1 58 ILE HG13 . . 6.500 5.931 4.534 6.667 0.167 4 0 "[ . 1 . 2]" 1
996 1 39 LYS HA 1 58 ILE MG . . 6.430 5.501 3.469 6.466 0.036 19 0 "[ . 1 . 2]" 1
997 1 39 LYS HA 1 59 TRP H . . 6.500 4.271 3.367 5.986 . 0 0 "[ . 1 . 2]" 1
998 1 39 LYS HB2 1 40 THR H . . 6.490 4.037 3.522 4.559 . 0 0 "[ . 1 . 2]" 1
999 1 39 LYS HB3 1 40 THR H . . 6.500 2.999 2.478 4.084 . 0 0 "[ . 1 . 2]" 1
1000 1 39 LYS HB3 1 42 GLN HE21 . . 5.780 4.049 2.863 5.403 . 0 0 "[ . 1 . 2]" 1
1001 1 39 LYS HB3 1 42 GLN HG2 . . 6.500 5.803 4.179 6.546 0.046 9 0 "[ . 1 . 2]" 1
1002 1 39 LYS HB3 1 54 ASN HD21 . . 6.500 6.591 6.345 6.701 0.201 11 0 "[ . 1 . 2]" 1
1003 1 39 LYS QE 1 42 GLN HE21 . . 6.500 5.868 3.877 6.523 0.023 14 0 "[ . 1 . 2]" 1
1004 1 39 LYS QG 1 40 THR H . . 6.500 3.957 3.172 4.525 . 0 0 "[ . 1 . 2]" 1
1005 1 40 THR H 1 59 TRP HE1 . . 6.500 3.355 2.443 4.976 . 0 0 "[ . 1 . 2]" 1
1006 1 40 THR HA 1 41 GLY H . . 5.730 2.686 2.100 3.374 . 0 0 "[ . 1 . 2]" 1
1007 1 40 THR HA 1 59 TRP HD1 . . 6.500 5.031 3.410 6.101 . 0 0 "[ . 1 . 2]" 1
1008 1 40 THR HA 1 59 TRP HE1 . . 5.040 3.818 2.156 5.066 0.026 14 0 "[ . 1 . 2]" 1
1009 1 40 THR HB 1 41 GLY H . . 6.500 2.845 1.785 4.525 . 0 0 "[ . 1 . 2]" 1
1010 1 40 THR HB 1 41 GLY HA2 . . 6.500 4.815 3.954 6.131 . 0 0 "[ . 1 . 2]" 1
1011 1 40 THR HB 1 41 GLY HA3 . . 6.500 4.887 4.014 5.983 . 0 0 "[ . 1 . 2]" 1
1012 1 40 THR HB 1 59 TRP HD1 . . 6.500 5.211 3.500 6.555 0.055 9 0 "[ . 1 . 2]" 1
1013 1 40 THR HB 1 59 TRP HE1 . . 5.660 3.396 2.037 5.052 . 0 0 "[ . 1 . 2]" 1
1014 1 40 THR MG 1 41 GLY H . . 6.500 3.218 1.931 4.155 . 0 0 "[ . 1 . 2]" 1
1015 1 40 THR MG 1 42 GLN HE22 . . 6.500 5.622 3.875 6.593 0.093 12 0 "[ . 1 . 2]" 1
1016 1 40 THR MG 1 59 TRP HD1 . . 6.500 3.942 2.461 5.739 . 0 0 "[ . 1 . 2]" 1
1017 1 40 THR MG 1 59 TRP HE1 . . 4.170 2.936 1.965 4.245 0.075 12 0 "[ . 1 . 2]" 1
1018 1 41 GLY H 1 42 GLN H . . 5.270 2.778 2.195 3.727 . 0 0 "[ . 1 . 2]" 1
1019 1 41 GLY H 1 59 TRP HE1 . . 6.500 4.815 2.205 6.449 . 0 0 "[ . 1 . 2]" 1
1020 1 41 GLY HA2 1 42 GLN H . . 5.730 3.075 2.187 3.618 . 0 0 "[ . 1 . 2]" 1
1021 1 41 GLY HA3 1 42 GLN H . . 5.980 3.358 2.558 3.582 . 0 0 "[ . 1 . 2]" 1
1022 1 41 GLY HA3 1 42 GLN HA . . 6.500 4.605 4.210 4.819 . 0 0 "[ . 1 . 2]" 1
1023 1 41 GLY HA3 1 42 GLN HG3 . . 6.500 5.826 4.880 6.448 . 0 0 "[ . 1 . 2]" 1
1024 1 42 GLN H 1 42 GLN HB3 . . 4.370 3.342 2.625 3.892 . 0 0 "[ . 1 . 2]" 1
1025 1 42 GLN H 1 42 GLN HE21 . . 6.500 3.962 2.288 5.387 . 0 0 "[ . 1 . 2]" 1
1026 1 42 GLN H 1 42 GLN HG2 . . 5.160 2.935 2.071 4.736 . 0 0 "[ . 1 . 2]" 1
1027 1 42 GLN H 1 42 GLN HG3 . . 4.840 3.428 2.691 4.240 . 0 0 "[ . 1 . 2]" 1
1028 1 42 GLN H 1 43 ALA MB . . 6.440 4.116 3.549 5.338 . 0 0 "[ . 1 . 2]" 1
1029 1 42 GLN H 1 50 ALA HA . . 6.290 5.433 4.977 6.197 . 0 0 "[ . 1 . 2]" 1
1030 1 42 GLN H 1 50 ALA MB . . 6.500 5.940 5.085 6.553 0.053 19 0 "[ . 1 . 2]" 1
1031 1 42 GLN HA 1 42 GLN HE22 . . 6.500 5.714 4.511 6.185 . 0 0 "[ . 1 . 2]" 1
1032 1 42 GLN HA 1 43 ALA H . . 5.360 3.007 2.030 3.544 . 0 0 "[ . 1 . 2]" 1
1033 1 42 GLN HA 1 43 ALA MB . . 6.500 4.597 4.052 4.997 . 0 0 "[ . 1 . 2]" 1
1034 1 42 GLN HB2 1 42 GLN HE22 . . 4.610 4.115 3.446 4.591 . 0 0 "[ . 1 . 2]" 1
1035 1 42 GLN HB2 1 43 ALA H . . 6.500 4.273 3.760 4.632 . 0 0 "[ . 1 . 2]" 1
1036 1 42 GLN HB2 1 43 ALA HA . . 6.500 4.832 4.211 6.092 . 0 0 "[ . 1 . 2]" 1
1037 1 42 GLN HB3 1 43 ALA H . . 6.500 4.197 3.143 4.652 . 0 0 "[ . 1 . 2]" 1
1038 1 42 GLN HB3 1 43 ALA HA . . 6.500 5.364 3.756 6.130 . 0 0 "[ . 1 . 2]" 1
1039 1 42 GLN HB3 1 43 ALA MB . . 6.500 5.275 4.751 5.998 . 0 0 "[ . 1 . 2]" 1
1040 1 42 GLN HE21 1 50 ALA HA . . 6.500 5.453 2.513 6.674 0.174 5 0 "[ . 1 . 2]" 1
1041 1 42 GLN HE21 1 50 ALA MB . . 5.950 5.568 3.047 6.058 0.108 13 0 "[ . 1 . 2]" 1
1042 1 42 GLN HG3 1 46 TYR H . . 6.500 6.566 6.067 6.715 0.215 5 0 "[ . 1 . 2]" 1
1043 1 43 ALA HA 1 46 TYR H . . 6.500 4.804 4.363 5.645 . 0 0 "[ . 1 . 2]" 1
1044 1 43 ALA MB 1 46 TYR H . . 5.060 3.092 2.223 3.915 . 0 0 "[ . 1 . 2]" 1
1045 1 43 ALA MB 1 46 TYR HA . . 6.210 4.823 4.248 6.230 0.020 16 0 "[ . 1 . 2]" 1
1046 1 43 ALA MB 1 46 TYR QB . . 6.500 2.799 1.972 4.961 . 0 0 "[ . 1 . 2]" 1
1047 1 43 ALA MB 1 46 TYR QD . . 6.500 3.280 2.022 5.305 . 0 0 "[ . 1 . 2]" 1
1048 1 44 PRO HB2 1 46 TYR H . . 5.650 5.305 5.028 5.662 0.012 4 0 "[ . 1 . 2]" 1
1049 1 45 GLY H 1 46 TYR H . . 6.500 2.736 2.326 3.075 . 0 0 "[ . 1 . 2]" 1
1050 1 45 GLY HA2 1 46 TYR H . . 4.660 3.436 3.179 3.665 . 0 0 "[ . 1 . 2]" 1
1051 1 45 GLY HA3 1 46 TYR H . . 4.970 3.278 2.795 3.606 . 0 0 "[ . 1 . 2]" 1
1052 1 49 THR HA 1 50 ALA H . . 4.900 2.258 2.059 3.071 . 0 0 "[ . 1 . 2]" 1
1053 1 49 THR HA 1 50 ALA HA . . 6.500 4.440 4.284 4.904 . 0 0 "[ . 1 . 2]" 1
1054 1 49 THR HA 1 50 ALA MB . . 6.500 4.018 3.553 4.594 . 0 0 "[ . 1 . 2]" 1
1055 1 49 THR HB 1 50 ALA H . . 6.500 4.130 2.532 4.550 . 0 0 "[ . 1 . 2]" 1
1056 1 49 THR MG 1 78 THR MG . . 6.500 4.992 3.757 6.492 . 0 0 "[ . 1 . 2]" 1
1057 1 50 ALA HA 1 52 ASN H . . 6.500 3.768 3.355 4.220 . 0 0 "[ . 1 . 2]" 1
1058 1 50 ALA HA 1 53 LYS H . . 5.280 3.227 2.425 4.025 . 0 0 "[ . 1 . 2]" 1
1059 1 50 ALA HA 1 53 LYS HB2 . . 6.400 4.097 2.577 6.171 . 0 0 "[ . 1 . 2]" 1
1060 1 50 ALA HA 1 54 ASN H . . 6.500 4.679 4.131 6.289 . 0 0 "[ . 1 . 2]" 1
1061 1 50 ALA MB 1 52 ASN H . . 6.500 4.696 4.488 4.931 . 0 0 "[ . 1 . 2]" 1
1062 1 50 ALA MB 1 54 ASN HD21 . . 4.750 2.857 2.252 4.466 . 0 0 "[ . 1 . 2]" 1
1063 1 50 ALA MB 1 54 ASN HD22 . . 4.850 2.923 2.373 3.907 . 0 0 "[ . 1 . 2]" 1
1064 1 51 ALA HA 1 52 ASN H . . 5.860 3.560 3.513 3.606 . 0 0 "[ . 1 . 2]" 1
1065 1 51 ALA HA 1 52 ASN HB2 . . 6.500 5.730 5.393 5.971 . 0 0 "[ . 1 . 2]" 1
1066 1 51 ALA HA 1 52 ASN HB3 . . 6.500 6.452 5.497 6.625 0.125 14 0 "[ . 1 . 2]" 1
1067 1 51 ALA HA 1 54 ASN QB . . 6.500 2.618 2.226 3.449 . 0 0 "[ . 1 . 2]" 1
1068 1 51 ALA HA 1 54 ASN HD22 . . 6.200 5.176 3.167 6.150 . 0 0 "[ . 1 . 2]" 1
1069 1 51 ALA MB 1 52 ASN H . . 4.990 2.652 2.439 2.843 . 0 0 "[ . 1 . 2]" 1
1070 1 51 ALA MB 1 52 ASN HB3 . . 6.500 5.273 4.739 5.667 . 0 0 "[ . 1 . 2]" 1
1071 1 51 ALA MB 1 53 LYS H . . 4.950 4.552 4.190 4.959 0.009 2 0 "[ . 1 . 2]" 1
1072 1 51 ALA MB 1 54 ASN HA . . 6.500 6.395 6.125 6.606 0.106 10 0 "[ . 1 . 2]" 1
1073 1 51 ALA MB 1 75 ILE MG . . 5.970 2.675 1.906 4.612 . 0 0 "[ . 1 . 2]" 1
1074 1 51 ALA MB 1 77 GLY H . . 5.970 4.238 2.699 5.981 0.011 15 0 "[ . 1 . 2]" 1
1075 1 51 ALA MB 1 77 GLY HA2 . . 6.100 4.706 3.554 6.066 . 0 0 "[ . 1 . 2]" 1
1076 1 51 ALA MB 1 77 GLY HA3 . . 6.500 3.395 2.118 4.734 . 0 0 "[ . 1 . 2]" 1
1077 1 51 ALA MB 1 78 THR H . . 4.960 4.769 3.392 5.068 0.108 13 0 "[ . 1 . 2]" 1
1078 1 52 ASN H 1 53 LYS H . . 6.500 2.822 2.610 3.046 . 0 0 "[ . 1 . 2]" 1
1079 1 52 ASN H 1 75 ILE MG . . 6.500 3.636 2.645 5.204 . 0 0 "[ . 1 . 2]" 1
1080 1 52 ASN HA 1 53 LYS H . . 5.470 3.509 3.244 3.660 . 0 0 "[ . 1 . 2]" 1
1081 1 52 ASN HA 1 74 TYR QE . . 6.500 6.119 4.151 6.620 0.120 15 0 "[ . 1 . 2]" 1
1082 1 52 ASN HA 1 75 ILE MG . . 6.500 2.978 1.948 4.806 . 0 0 "[ . 1 . 2]" 1
1083 1 52 ASN HB2 1 53 LYS H . . 5.470 3.228 2.520 4.115 . 0 0 "[ . 1 . 2]" 1
1084 1 52 ASN HB3 1 53 LYS H . . 6.070 3.632 2.236 4.395 . 0 0 "[ . 1 . 2]" 1
1085 1 53 LYS H 1 53 LYS HB3 . . 4.400 2.557 2.268 3.234 . 0 0 "[ . 1 . 2]" 1
1086 1 53 LYS H 1 53 LYS QD . . 6.230 4.317 3.383 4.649 . 0 0 "[ . 1 . 2]" 1
1087 1 53 LYS H 1 53 LYS QE . . 6.500 5.668 4.612 6.033 . 0 0 "[ . 1 . 2]" 1
1088 1 53 LYS H 1 54 ASN H . . 5.800 2.490 2.024 2.952 . 0 0 "[ . 1 . 2]" 1
1089 1 53 LYS HA 1 54 ASN HD21 . . 6.500 4.738 4.328 5.213 . 0 0 "[ . 1 . 2]" 1
1090 1 53 LYS HB2 1 54 ASN H . . 6.500 4.118 3.681 4.564 . 0 0 "[ . 1 . 2]" 1
1091 1 53 LYS HB2 1 54 ASN HA . . 6.500 5.502 4.816 5.934 . 0 0 "[ . 1 . 2]" 1
1092 1 53 LYS HB3 1 54 ASN H . . 6.500 3.229 2.565 4.664 . 0 0 "[ . 1 . 2]" 1
1093 1 53 LYS HB3 1 54 ASN HA . . 6.500 4.736 3.887 6.132 . 0 0 "[ . 1 . 2]" 1
1094 1 53 LYS QD 1 54 ASN HA . . 6.500 5.126 2.624 6.266 . 0 0 "[ . 1 . 2]" 1
1095 1 54 ASN H 1 55 LYS H . . 6.500 2.635 2.130 3.163 . 0 0 "[ . 1 . 2]" 1
1096 1 54 ASN HA 1 55 LYS H . . 6.500 3.373 2.822 3.631 . 0 0 "[ . 1 . 2]" 1
1097 1 54 ASN HA 1 55 LYS HA . . 6.500 4.609 4.361 4.814 . 0 0 "[ . 1 . 2]" 1
1098 1 54 ASN HA 1 55 LYS HB2 . . 6.500 5.566 5.168 6.283 . 0 0 "[ . 1 . 2]" 1
1099 1 54 ASN QB 1 55 LYS H . . 6.500 3.289 2.557 3.922 . 0 0 "[ . 1 . 2]" 1
1100 1 54 ASN QB 1 55 LYS HA . . 6.500 4.372 3.726 4.699 . 0 0 "[ . 1 . 2]" 1
1101 1 57 ILE HA 1 58 ILE H . . 4.060 2.302 2.037 2.868 . 0 0 "[ . 1 . 2]" 1
1102 1 57 ILE HA 1 58 ILE HB . . 6.500 4.649 3.378 6.196 . 0 0 "[ . 1 . 2]" 1
1103 1 57 ILE HA 1 58 ILE HG12 . . 6.500 5.416 3.950 6.423 . 0 0 "[ . 1 . 2]" 1
1104 1 57 ILE HA 1 58 ILE HG13 . . 6.500 5.905 4.566 6.547 0.047 11 0 "[ . 1 . 2]" 1
1105 1 57 ILE HA 1 58 ILE MG . . 6.500 4.161 3.525 5.103 . 0 0 "[ . 1 . 2]" 1
1106 1 57 ILE HB 1 58 ILE H . . 4.130 3.365 2.019 4.270 0.140 14 0 "[ . 1 . 2]" 1
1107 1 57 ILE MD 1 58 ILE H . . 5.840 4.040 1.944 5.458 . 0 0 "[ . 1 . 2]" 1
1108 1 57 ILE MD 1 63 THR HB . . 6.500 4.126 2.167 6.540 0.040 17 0 "[ . 1 . 2]" 1
1109 1 57 ILE MD 1 63 THR MG . . 6.500 3.065 2.080 4.840 . 0 0 "[ . 1 . 2]" 1
1110 1 57 ILE MG 1 58 ILE H . . 4.480 3.374 2.055 4.368 . 0 0 "[ . 1 . 2]" 1
1111 1 57 ILE MG 1 58 ILE HA . . 6.500 4.933 3.858 5.729 . 0 0 "[ . 1 . 2]" 1
1112 1 57 ILE MG 1 63 THR HB . . 6.500 4.532 2.609 6.519 0.019 4 0 "[ . 1 . 2]" 1
1113 1 57 ILE MG 1 63 THR MG . . 6.500 3.239 2.078 5.104 . 0 0 "[ . 1 . 2]" 1
1114 1 58 ILE H 1 58 ILE HB . . 3.780 2.750 2.004 3.665 . 0 0 "[ . 1 . 2]" 1
1115 1 58 ILE H 1 58 ILE MD . . 4.890 4.250 3.677 4.831 . 0 0 "[ . 1 . 2]" 1
1116 1 58 ILE H 1 58 ILE HG12 . . 4.160 3.605 1.990 4.376 0.216 14 0 "[ . 1 . 2]" 1
1117 1 58 ILE H 1 58 ILE HG13 . . 4.620 3.995 2.164 4.762 0.142 19 0 "[ . 1 . 2]" 1
1118 1 58 ILE H 1 59 TRP H . . 6.230 4.588 4.249 4.750 . 0 0 "[ . 1 . 2]" 1
1119 1 58 ILE HA 1 59 TRP H . . 3.530 2.259 2.045 2.379 . 0 0 "[ . 1 . 2]" 1
1120 1 58 ILE HA 1 59 TRP HA . . 6.500 4.339 4.154 4.536 . 0 0 "[ . 1 . 2]" 1
1121 1 58 ILE HA 1 59 TRP HB2 . . 6.500 4.661 4.438 4.885 . 0 0 "[ . 1 . 2]" 1
1122 1 58 ILE HA 1 59 TRP HB3 . . 6.500 5.708 5.471 5.909 . 0 0 "[ . 1 . 2]" 1
1123 1 58 ILE HB 1 59 TRP H . . 5.270 3.716 2.233 4.466 . 0 0 "[ . 1 . 2]" 1
1124 1 58 ILE HB 1 59 TRP HB2 . . 6.500 5.766 3.885 6.598 0.098 14 0 "[ . 1 . 2]" 1
1125 1 58 ILE HB 1 63 THR HB . . 6.500 6.615 6.517 6.725 0.225 20 0 "[ . 1 . 2]" 1
1126 1 58 ILE MD 1 59 TRP H . . 4.730 3.006 1.964 4.309 . 0 0 "[ . 1 . 2]" 1
1127 1 58 ILE MD 1 59 TRP HA . . 6.500 4.545 3.994 5.410 . 0 0 "[ . 1 . 2]" 1
1128 1 58 ILE MD 1 59 TRP HB2 . . 5.920 3.974 2.923 5.174 . 0 0 "[ . 1 . 2]" 1
1129 1 58 ILE MD 1 59 TRP HB3 . . 6.070 5.073 4.294 6.060 . 0 0 "[ . 1 . 2]" 1
1130 1 58 ILE MD 1 60 GLY H . . 5.260 4.862 3.179 5.387 0.127 2 0 "[ . 1 . 2]" 1
1131 1 58 ILE MD 1 60 GLY HA3 . . 6.500 4.559 3.076 6.137 . 0 0 "[ . 1 . 2]" 1
1132 1 58 ILE HG12 1 59 TRP H . . 5.790 3.747 2.249 5.196 . 0 0 "[ . 1 . 2]" 1
1133 1 58 ILE HG13 1 59 TRP H . . 5.430 4.207 2.633 4.895 . 0 0 "[ . 1 . 2]" 1
1134 1 58 ILE MG 1 59 TRP H . . 4.660 3.620 2.622 4.243 . 0 0 "[ . 1 . 2]" 1
1135 1 58 ILE MG 1 60 GLY H . . 6.000 4.997 3.575 6.095 0.095 17 0 "[ . 1 . 2]" 1
1136 1 59 TRP H 1 59 TRP HB2 . . 4.080 2.417 2.277 2.561 . 0 0 "[ . 1 . 2]" 1
1137 1 59 TRP H 1 59 TRP HD1 . . 5.240 3.275 2.923 3.717 . 0 0 "[ . 1 . 2]" 1
1138 1 59 TRP H 1 59 TRP HE1 . . 6.500 4.932 4.587 5.421 . 0 0 "[ . 1 . 2]" 1
1139 1 59 TRP H 1 59 TRP HE3 . . 6.380 4.475 3.906 4.809 . 0 0 "[ . 1 . 2]" 1
1140 1 59 TRP H 1 60 GLY H . . 5.610 4.407 4.112 4.560 . 0 0 "[ . 1 . 2]" 1
1141 1 59 TRP HA 1 59 TRP HE3 . . 4.060 2.202 2.043 2.550 . 0 0 "[ . 1 . 2]" 1
1142 1 59 TRP HA 1 59 TRP HZ3 . . 6.500 4.527 4.349 4.822 . 0 0 "[ . 1 . 2]" 1
1143 1 59 TRP HA 1 60 GLY H . . 5.480 2.061 1.945 2.203 . 0 0 "[ . 1 . 2]" 1
1144 1 59 TRP HA 1 60 GLY HA2 . . 6.500 4.426 4.275 4.515 . 0 0 "[ . 1 . 2]" 1
1145 1 59 TRP HA 1 60 GLY HA3 . . 6.500 4.387 4.220 4.535 . 0 0 "[ . 1 . 2]" 1
1146 1 59 TRP HA 1 64 LEU HG . . 6.500 3.259 2.756 4.068 . 0 0 "[ . 1 . 2]" 1
1147 1 59 TRP HB2 1 60 GLY H . . 4.680 4.311 4.139 4.488 . 0 0 "[ . 1 . 2]" 1
1148 1 59 TRP HB2 1 64 LEU HG . . 6.500 5.018 4.441 5.620 . 0 0 "[ . 1 . 2]" 1
1149 1 59 TRP HB3 1 60 GLY H . . 4.480 3.508 3.121 4.071 . 0 0 "[ . 1 . 2]" 1
1150 1 59 TRP HB3 1 64 LEU HG . . 6.500 3.407 2.858 3.990 . 0 0 "[ . 1 . 2]" 1
1151 1 59 TRP HE3 1 60 GLY H . . 4.090 3.390 2.957 3.961 . 0 0 "[ . 1 . 2]" 1
1152 1 59 TRP HE3 1 63 THR H . . 6.090 5.361 4.789 5.930 . 0 0 "[ . 1 . 2]" 1
1153 1 59 TRP HE3 1 63 THR HB . . 6.500 3.463 2.730 3.971 . 0 0 "[ . 1 . 2]" 1
1154 1 59 TRP HE3 1 64 LEU H . . 4.860 3.819 3.325 4.480 . 0 0 "[ . 1 . 2]" 1
1155 1 59 TRP HE3 1 64 LEU HA . . 6.500 3.443 3.232 3.659 . 0 0 "[ . 1 . 2]" 1
1156 1 59 TRP HE3 1 64 LEU HB2 . . 6.500 4.833 4.492 5.226 . 0 0 "[ . 1 . 2]" 1
1157 1 59 TRP HE3 1 64 LEU HB3 . . 6.500 4.978 4.762 5.360 . 0 0 "[ . 1 . 2]" 1
1158 1 59 TRP HE3 1 64 LEU QD . . 5.190 2.512 2.199 3.087 . 0 0 "[ . 1 . 2]" 1
1159 1 59 TRP HE3 1 64 LEU HG . . 5.930 2.593 2.219 3.123 . 0 0 "[ . 1 . 2]" 1
1160 1 59 TRP HE3 1 65 MET H . . 6.500 6.121 5.728 6.498 . 0 0 "[ . 1 . 2]" 1
1161 1 59 TRP HE3 1 67 TYR HB2 . . 6.500 4.800 4.262 5.174 . 0 0 "[ . 1 . 2]" 1
1162 1 59 TRP HH2 1 67 TYR HA . . 6.500 5.493 4.554 6.080 . 0 0 "[ . 1 . 2]" 1
1163 1 59 TRP HH2 1 67 TYR HB2 . . 5.250 3.716 2.608 4.501 . 0 0 "[ . 1 . 2]" 1
1164 1 59 TRP HH2 1 67 TYR HB3 . . 5.790 4.296 3.266 5.383 . 0 0 "[ . 1 . 2]" 1
1165 1 59 TRP HH2 1 67 TYR QD . . 5.540 3.050 2.307 3.630 . 0 0 "[ . 1 . 2]" 1
1166 1 59 TRP HZ3 1 60 GLY H . . 6.130 5.536 5.042 6.080 . 0 0 "[ . 1 . 2]" 1
1167 1 59 TRP HZ3 1 63 THR HA . . 6.500 5.355 4.701 6.217 . 0 0 "[ . 1 . 2]" 1
1168 1 59 TRP HZ3 1 63 THR HB . . 6.350 4.102 3.420 5.153 . 0 0 "[ . 1 . 2]" 1
1169 1 59 TRP HZ3 1 63 THR MG . . 6.500 4.986 2.803 6.033 . 0 0 "[ . 1 . 2]" 1
1170 1 59 TRP HZ3 1 64 LEU H . . 5.810 4.771 4.105 5.628 . 0 0 "[ . 1 . 2]" 1
1171 1 59 TRP HZ3 1 64 LEU HA . . 4.690 3.034 2.398 3.818 . 0 0 "[ . 1 . 2]" 1
1172 1 59 TRP HZ3 1 66 GLU HG2 . . 6.500 6.019 4.998 6.564 0.064 1 0 "[ . 1 . 2]" 1
1173 1 59 TRP HZ3 1 66 GLU HG3 . . 6.500 5.710 4.993 6.172 . 0 0 "[ . 1 . 2]" 1
1174 1 60 GLY H 1 61 GLU H . . 6.270 4.323 4.204 4.397 . 0 0 "[ . 1 . 2]" 1
1175 1 60 GLY H 1 62 ASP H . . 6.270 4.759 4.346 5.100 . 0 0 "[ . 1 . 2]" 1
1176 1 60 GLY H 1 63 THR H . . 4.710 3.512 3.150 3.738 . 0 0 "[ . 1 . 2]" 1
1177 1 60 GLY H 1 63 THR HB . . 5.480 3.541 1.812 4.130 . 0 0 "[ . 1 . 2]" 1
1178 1 60 GLY H 1 63 THR MG . . 4.620 3.766 3.020 4.221 . 0 0 "[ . 1 . 2]" 1
1179 1 60 GLY H 1 64 LEU H . . 4.060 3.103 2.671 4.026 . 0 0 "[ . 1 . 2]" 1
1180 1 60 GLY H 1 64 LEU HA . . 6.500 5.049 4.711 5.706 . 0 0 "[ . 1 . 2]" 1
1181 1 60 GLY H 1 64 LEU HB2 . . 5.620 4.426 3.939 5.357 . 0 0 "[ . 1 . 2]" 1
1182 1 60 GLY H 1 64 LEU HB3 . . 6.500 5.622 5.090 6.528 0.028 4 0 "[ . 1 . 2]" 1
1183 1 60 GLY H 1 64 LEU HG . . 4.650 2.913 2.350 3.735 . 0 0 "[ . 1 . 2]" 1
1184 1 60 GLY HA2 1 61 GLU H . . 4.170 2.674 2.331 2.881 . 0 0 "[ . 1 . 2]" 1
1185 1 60 GLY HA2 1 61 GLU QB . . 6.010 4.677 3.988 5.180 . 0 0 "[ . 1 . 2]" 1
1186 1 60 GLY HA2 1 61 GLU HG2 . . 6.500 5.387 4.310 6.613 0.113 4 0 "[ . 1 . 2]" 1
1187 1 60 GLY HA2 1 61 GLU HG3 . . 6.500 4.704 3.920 6.343 . 0 0 "[ . 1 . 2]" 1
1188 1 60 GLY HA2 1 63 THR H . . 5.220 4.952 4.563 5.227 0.007 15 0 "[ . 1 . 2]" 1
1189 1 60 GLY HA2 1 64 LEU HB2 . . 6.500 5.260 4.475 5.861 . 0 0 "[ . 1 . 2]" 1
1190 1 60 GLY HA2 1 64 LEU HG . . 6.500 4.498 3.707 5.149 . 0 0 "[ . 1 . 2]" 1
1191 1 60 GLY HA3 1 61 GLU H . . 4.130 2.517 2.338 2.632 . 0 0 "[ . 1 . 2]" 1
1192 1 60 GLY HA3 1 61 GLU HA . . 6.500 4.664 4.459 4.753 . 0 0 "[ . 1 . 2]" 1
1193 1 60 GLY HA3 1 61 GLU QB . . 6.500 4.616 4.047 5.032 . 0 0 "[ . 1 . 2]" 1
1194 1 60 GLY HA3 1 61 GLU HG2 . . 6.500 5.680 4.261 6.665 0.165 1 0 "[ . 1 . 2]" 1
1195 1 60 GLY HA3 1 61 GLU HG3 . . 6.500 4.957 4.134 6.582 0.082 4 0 "[ . 1 . 2]" 1
1196 1 60 GLY HA3 1 62 ASP H . . 4.710 3.793 3.252 4.257 . 0 0 "[ . 1 . 2]" 1
1197 1 60 GLY HA3 1 64 LEU H . . 5.210 4.738 4.560 5.006 . 0 0 "[ . 1 . 2]" 1
1198 1 60 GLY HA3 1 64 LEU HG . . 6.500 5.071 4.531 5.644 . 0 0 "[ . 1 . 2]" 1
1199 1 61 GLU H 1 61 GLU QB . . 3.790 2.411 2.030 2.718 . 0 0 "[ . 1 . 2]" 1
1200 1 61 GLU H 1 61 GLU HG2 . . 4.380 3.413 2.112 4.439 0.059 1 0 "[ . 1 . 2]" 1
1201 1 61 GLU H 1 61 GLU HG3 . . 4.590 2.746 1.945 4.252 . 0 0 "[ . 1 . 2]" 1
1202 1 61 GLU H 1 62 ASP H . . 4.680 2.853 2.491 3.180 . 0 0 "[ . 1 . 2]" 1
1203 1 61 GLU H 1 62 ASP HB3 . . 6.350 5.363 4.860 6.417 0.067 20 0 "[ . 1 . 2]" 1
1204 1 61 GLU H 1 63 THR H . . 6.500 4.203 3.908 4.401 . 0 0 "[ . 1 . 2]" 1
1205 1 61 GLU H 1 64 LEU H . . 6.500 4.932 4.687 5.157 . 0 0 "[ . 1 . 2]" 1
1206 1 61 GLU H 1 64 LEU HG . . 6.290 5.641 5.043 6.069 . 0 0 "[ . 1 . 2]" 1
1207 1 61 GLU H 1 95 ILE MG . . 5.510 4.085 3.493 4.557 . 0 0 "[ . 1 . 2]" 1
1208 1 61 GLU HA 1 62 ASP H . . 4.360 3.546 3.431 3.619 . 0 0 "[ . 1 . 2]" 1
1209 1 61 GLU HA 1 62 ASP HA . . 6.500 4.681 4.553 4.871 . 0 0 "[ . 1 . 2]" 1
1210 1 61 GLU HA 1 64 LEU H . . 6.500 3.984 3.455 4.573 . 0 0 "[ . 1 . 2]" 1
1211 1 61 GLU HA 1 64 LEU HB3 . . 6.500 4.804 3.828 5.341 . 0 0 "[ . 1 . 2]" 1
1212 1 61 GLU HA 1 64 LEU HG . . 6.480 4.800 3.803 5.418 . 0 0 "[ . 1 . 2]" 1
1213 1 61 GLU HA 1 65 MET H . . 4.900 4.420 3.542 4.969 0.069 9 0 "[ . 1 . 2]" 1
1214 1 61 GLU HA 1 95 ILE MD . . 6.500 2.543 2.055 3.251 . 0 0 "[ . 1 . 2]" 1
1215 1 61 GLU HA 1 95 ILE MG . . 5.430 2.368 2.046 3.183 . 0 0 "[ . 1 . 2]" 1
1216 1 61 GLU QB 1 62 ASP H . . 3.530 2.927 2.479 3.644 0.114 10 0 "[ . 1 . 2]" 1
1217 1 61 GLU QB 1 63 THR H . . 5.500 4.668 4.350 5.253 . 0 0 "[ . 1 . 2]" 1
1218 1 61 GLU QB 1 95 ILE MD . . 6.370 3.374 2.334 4.550 . 0 0 "[ . 1 . 2]" 1
1219 1 61 GLU QB 1 95 ILE MG . . 5.720 3.007 1.958 4.064 . 0 0 "[ . 1 . 2]" 1
1220 1 61 GLU HG2 1 62 ASP H . . 5.080 4.538 2.166 5.191 0.111 12 0 "[ . 1 . 2]" 1
1221 1 61 GLU HG2 1 62 ASP HA . . 6.500 5.886 3.902 6.561 0.061 5 0 "[ . 1 . 2]" 1
1222 1 61 GLU HG2 1 95 ILE MG . . 5.630 3.057 2.082 4.828 . 0 0 "[ . 1 . 2]" 1
1223 1 61 GLU HG3 1 62 ASP H . . 5.150 4.134 2.251 5.197 0.047 8 0 "[ . 1 . 2]" 1
1224 1 61 GLU HG3 1 62 ASP HA . . 6.500 5.839 3.777 6.573 0.073 12 0 "[ . 1 . 2]" 1
1225 1 61 GLU HG3 1 95 ILE MG . . 5.550 3.235 2.078 4.514 . 0 0 "[ . 1 . 2]" 1
1226 1 62 ASP H 1 62 ASP HB2 . . 3.730 2.629 2.230 3.561 . 0 0 "[ . 1 . 2]" 1
1227 1 62 ASP H 1 62 ASP HB3 . . 3.940 2.683 2.313 3.625 . 0 0 "[ . 1 . 2]" 1
1228 1 62 ASP H 1 63 THR H . . 3.750 2.468 2.107 2.849 . 0 0 "[ . 1 . 2]" 1
1229 1 62 ASP H 1 63 THR MG . . 5.460 4.347 3.544 5.600 0.140 4 0 "[ . 1 . 2]" 1
1230 1 62 ASP H 1 64 LEU H . . 5.310 4.186 3.859 4.484 . 0 0 "[ . 1 . 2]" 1
1231 1 62 ASP H 1 64 LEU HG . . 6.500 6.070 5.763 6.510 0.010 18 0 "[ . 1 . 2]" 1
1232 1 62 ASP H 1 65 MET H . . 6.500 4.815 4.491 5.275 . 0 0 "[ . 1 . 2]" 1
1233 1 62 ASP H 1 66 GLU H . . 6.500 6.359 5.922 6.656 0.156 2 0 "[ . 1 . 2]" 1
1234 1 62 ASP H 1 95 ILE MG . . 6.440 5.267 5.010 5.646 . 0 0 "[ . 1 . 2]" 1
1235 1 62 ASP HA 1 63 THR H . . 4.490 3.391 2.959 3.544 . 0 0 "[ . 1 . 2]" 1
1236 1 62 ASP HA 1 63 THR HA . . 6.140 4.704 4.399 4.824 . 0 0 "[ . 1 . 2]" 1
1237 1 62 ASP HA 1 65 MET H . . 4.930 3.617 3.080 4.709 . 0 0 "[ . 1 . 2]" 1
1238 1 62 ASP HA 1 65 MET HB2 . . 6.500 3.489 2.763 5.098 . 0 0 "[ . 1 . 2]" 1
1239 1 62 ASP HA 1 65 MET HB3 . . 6.500 3.340 2.416 5.937 . 0 0 "[ . 1 . 2]" 1
1240 1 62 ASP HB2 1 63 THR H . . 4.330 4.100 3.161 4.428 0.098 13 0 "[ . 1 . 2]" 1
1241 1 62 ASP HB3 1 63 THR H . . 4.270 3.499 2.852 4.167 . 0 0 "[ . 1 . 2]" 1
1242 1 63 THR H 1 63 THR MG . . 3.680 3.001 2.409 3.788 0.108 4 0 "[ . 1 . 2]" 1
1243 1 63 THR H 1 64 LEU H . . 3.790 2.242 1.924 2.536 . 0 0 "[ . 1 . 2]" 1
1244 1 63 THR H 1 64 LEU HB2 . . 5.170 4.128 3.589 4.391 . 0 0 "[ . 1 . 2]" 1
1245 1 63 THR H 1 64 LEU HB3 . . 5.810 5.618 5.086 5.888 0.078 19 0 "[ . 1 . 2]" 1
1246 1 63 THR H 1 64 LEU QD . . 6.500 4.638 4.353 5.049 . 0 0 "[ . 1 . 2]" 1
1247 1 63 THR H 1 64 LEU HG . . 6.150 4.509 4.051 5.041 . 0 0 "[ . 1 . 2]" 1
1248 1 63 THR H 1 65 MET H . . 6.300 3.471 3.034 3.849 . 0 0 "[ . 1 . 2]" 1
1249 1 63 THR H 1 66 GLU H . . 6.500 4.692 4.228 4.900 . 0 0 "[ . 1 . 2]" 1
1250 1 63 THR H 1 66 GLU HB3 . . 6.200 6.234 5.874 6.322 0.122 16 0 "[ . 1 . 2]" 1
1251 1 63 THR H 1 95 ILE HG12 . . 6.270 6.381 6.288 6.452 0.182 11 0 "[ . 1 . 2]" 1
1252 1 63 THR HA 1 64 LEU H . . 6.110 3.559 3.526 3.594 . 0 0 "[ . 1 . 2]" 1
1253 1 63 THR HA 1 64 LEU HB3 . . 6.500 6.549 6.491 6.607 0.107 13 0 "[ . 1 . 2]" 1
1254 1 63 THR HA 1 65 MET H . . 5.710 4.053 3.733 4.531 . 0 0 "[ . 1 . 2]" 1
1255 1 63 THR HA 1 66 GLU H . . 4.640 3.471 3.245 3.741 . 0 0 "[ . 1 . 2]" 1
1256 1 63 THR HA 1 67 TYR H . . 6.010 3.966 3.733 4.201 . 0 0 "[ . 1 . 2]" 1
1257 1 63 THR HB 1 64 LEU H . . 5.000 3.444 2.489 3.723 . 0 0 "[ . 1 . 2]" 1
1258 1 63 THR HB 1 64 LEU HB2 . . 6.500 5.618 4.539 5.929 . 0 0 "[ . 1 . 2]" 1
1259 1 63 THR HB 1 64 LEU HB3 . . 6.500 6.416 5.429 6.650 0.150 20 0 "[ . 1 . 2]" 1
1260 1 63 THR HB 1 66 GLU H . . 5.530 5.524 5.301 5.635 0.105 8 0 "[ . 1 . 2]" 1
1261 1 63 THR MG 1 64 LEU H . . 4.760 3.997 3.581 4.285 . 0 0 "[ . 1 . 2]" 1
1262 1 63 THR MG 1 66 GLU H . . 6.180 5.094 4.637 5.467 . 0 0 "[ . 1 . 2]" 1
1263 1 64 LEU H 1 64 LEU HB2 . . 3.630 2.323 2.243 2.391 . 0 0 "[ . 1 . 2]" 1
1264 1 64 LEU H 1 64 LEU QD . . 4.470 3.246 3.143 3.441 . 0 0 "[ . 1 . 2]" 1
1265 1 64 LEU H 1 64 LEU HG . . 4.280 2.568 2.339 2.919 . 0 0 "[ . 1 . 2]" 1
1266 1 64 LEU H 1 65 MET H . . 4.140 2.738 2.483 2.955 . 0 0 "[ . 1 . 2]" 1
1267 1 64 LEU H 1 65 MET HB2 . . 5.940 4.968 4.711 6.114 0.174 4 0 "[ . 1 . 2]" 1
1268 1 64 LEU H 1 66 GLU H . . 5.510 4.422 4.111 4.686 . 0 0 "[ . 1 . 2]" 1
1269 1 64 LEU H 1 67 TYR HB3 . . 6.500 4.984 4.739 5.222 . 0 0 "[ . 1 . 2]" 1
1270 1 64 LEU H 1 95 ILE MD . . 4.770 4.215 3.863 4.558 . 0 0 "[ . 1 . 2]" 1
1271 1 64 LEU HA 1 65 MET H . . 4.940 3.585 3.524 3.649 . 0 0 "[ . 1 . 2]" 1
1272 1 64 LEU HA 1 65 MET HB2 . . 6.500 5.787 5.583 6.523 0.023 4 0 "[ . 1 . 2]" 1
1273 1 64 LEU HA 1 67 TYR H . . 4.390 3.521 3.237 3.909 . 0 0 "[ . 1 . 2]" 1
1274 1 64 LEU HA 1 67 TYR HA . . 6.500 5.403 5.001 5.830 . 0 0 "[ . 1 . 2]" 1
1275 1 64 LEU HA 1 67 TYR HB2 . . 4.310 3.692 3.054 4.206 . 0 0 "[ . 1 . 2]" 1
1276 1 64 LEU HA 1 67 TYR HB3 . . 5.380 2.503 2.075 2.924 . 0 0 "[ . 1 . 2]" 1
1277 1 64 LEU HA 1 68 LEU H . . 5.060 3.584 3.372 3.844 . 0 0 "[ . 1 . 2]" 1
1278 1 64 LEU HB2 1 65 MET H . . 4.140 2.999 2.666 3.242 . 0 0 "[ . 1 . 2]" 1
1279 1 64 LEU HB2 1 95 ILE MD . . 5.900 2.712 2.342 3.013 . 0 0 "[ . 1 . 2]" 1
1280 1 64 LEU HB3 1 65 MET H . . 4.440 3.758 3.362 3.996 . 0 0 "[ . 1 . 2]" 1
1281 1 64 LEU HB3 1 65 MET HB2 . . 6.500 5.221 4.488 6.416 . 0 0 "[ . 1 . 2]" 1
1282 1 64 LEU HB3 1 66 GLU H . . 6.500 5.666 5.297 6.043 . 0 0 "[ . 1 . 2]" 1
1283 1 64 LEU HB3 1 68 LEU H . . 5.640 4.682 4.412 5.094 . 0 0 "[ . 1 . 2]" 1
1284 1 64 LEU HB3 1 95 ILE MD . . 5.230 3.016 2.637 3.715 . 0 0 "[ . 1 . 2]" 1
1285 1 64 LEU QD 1 65 MET H . . 5.660 4.328 4.137 4.456 . 0 0 "[ . 1 . 2]" 1
1286 1 64 LEU QD 1 66 GLU H . . 6.500 5.594 5.400 5.885 . 0 0 "[ . 1 . 2]" 1
1287 1 64 LEU QD 1 67 TYR H . . 6.070 4.887 4.548 5.222 . 0 0 "[ . 1 . 2]" 1
1288 1 64 LEU QD 1 67 TYR HA . . 6.500 5.942 5.378 6.452 . 0 0 "[ . 1 . 2]" 1
1289 1 64 LEU QD 1 67 TYR HB2 . . 6.500 4.360 3.507 5.066 . 0 0 "[ . 1 . 2]" 1
1290 1 64 LEU QD 1 67 TYR HB3 . . 6.500 3.467 2.991 3.987 . 0 0 "[ . 1 . 2]" 1
1291 1 64 LEU QD 1 68 LEU H . . 5.510 4.477 4.095 4.760 . 0 0 "[ . 1 . 2]" 1
1292 1 64 LEU QD 1 68 LEU HA . . 6.500 5.603 5.107 5.999 . 0 0 "[ . 1 . 2]" 1
1293 1 64 LEU HG 1 65 MET H . . 5.450 4.781 4.612 4.961 . 0 0 "[ . 1 . 2]" 1
1294 1 64 LEU HG 1 68 LEU H . . 6.500 6.432 6.245 6.571 0.071 13 0 "[ . 1 . 2]" 1
1295 1 65 MET H 1 65 MET HB2 . . 3.760 2.474 2.178 3.647 . 0 0 "[ . 1 . 2]" 1
1296 1 65 MET H 1 65 MET HB3 . . 4.120 2.634 2.309 3.687 . 0 0 "[ . 1 . 2]" 1
1297 1 65 MET H 1 65 MET HG2 . . 4.400 4.313 2.099 4.525 0.125 1 0 "[ . 1 . 2]" 1
1298 1 65 MET H 1 65 MET HG3 . . 4.850 4.155 2.587 4.440 . 0 0 "[ . 1 . 2]" 1
1299 1 65 MET H 1 66 GLU H . . 4.140 2.578 2.485 2.660 . 0 0 "[ . 1 . 2]" 1
1300 1 65 MET H 1 66 GLU HB2 . . 6.040 6.163 6.119 6.218 0.178 18 0 "[ . 1 . 2]" 1
1301 1 65 MET H 1 66 GLU HB3 . . 6.090 4.969 4.882 5.185 . 0 0 "[ . 1 . 2]" 1
1302 1 65 MET H 1 66 GLU HG2 . . 6.320 4.085 3.674 4.522 . 0 0 "[ . 1 . 2]" 1
1303 1 65 MET H 1 66 GLU HG3 . . 6.080 5.348 4.994 5.622 . 0 0 "[ . 1 . 2]" 1
1304 1 65 MET H 1 67 TYR H . . 5.330 4.071 3.821 4.278 . 0 0 "[ . 1 . 2]" 1
1305 1 65 MET H 1 68 LEU H . . 5.540 4.716 4.469 4.838 . 0 0 "[ . 1 . 2]" 1
1306 1 65 MET H 1 95 ILE MD . . 4.140 3.222 2.737 3.899 . 0 0 "[ . 1 . 2]" 1
1307 1 65 MET HA 1 66 GLU H . . 4.380 3.560 3.504 3.623 . 0 0 "[ . 1 . 2]" 1
1308 1 65 MET HA 1 66 GLU HB3 . . 6.500 5.637 5.445 5.770 . 0 0 "[ . 1 . 2]" 1
1309 1 65 MET HA 1 66 GLU HG2 . . 6.500 5.709 5.273 6.207 . 0 0 "[ . 1 . 2]" 1
1310 1 65 MET HA 1 66 GLU HG3 . . 6.500 6.501 6.223 6.615 0.115 17 0 "[ . 1 . 2]" 1
1311 1 65 MET HA 1 68 LEU H . . 5.320 3.812 3.432 4.229 . 0 0 "[ . 1 . 2]" 1
1312 1 65 MET HA 1 68 LEU HB2 . . 6.500 3.135 2.694 3.747 . 0 0 "[ . 1 . 2]" 1
1313 1 65 MET HA 1 68 LEU HB3 . . 6.380 4.783 4.361 5.428 . 0 0 "[ . 1 . 2]" 1
1314 1 65 MET HA 1 69 GLU H . . 5.150 4.215 3.467 4.531 . 0 0 "[ . 1 . 2]" 1
1315 1 65 MET HA 1 91 ARG HD2 . . 6.500 3.214 2.056 5.105 . 0 0 "[ . 1 . 2]" 1
1316 1 65 MET HA 1 91 ARG HD3 . . 6.330 4.007 2.699 5.249 . 0 0 "[ . 1 . 2]" 1
1317 1 65 MET HA 1 95 ILE MD . . 5.750 3.032 2.219 4.319 . 0 0 "[ . 1 . 2]" 1
1318 1 65 MET HB2 1 66 GLU H . . 4.290 3.730 2.744 4.029 . 0 0 "[ . 1 . 2]" 1
1319 1 65 MET HB2 1 66 GLU HB3 . . 6.500 5.437 4.339 5.827 . 0 0 "[ . 1 . 2]" 1
1320 1 65 MET HB2 1 66 GLU HG2 . . 6.500 5.571 4.121 6.445 . 0 0 "[ . 1 . 2]" 1
1321 1 65 MET HB2 1 69 GLU H . . 6.500 6.328 4.978 6.583 0.083 20 0 "[ . 1 . 2]" 1
1322 1 65 MET HB2 1 95 ILE MD . . 6.500 2.926 2.217 4.247 . 0 0 "[ . 1 . 2]" 1
1323 1 65 MET HB3 1 66 GLU H . . 4.170 2.781 2.225 4.189 0.019 4 0 "[ . 1 . 2]" 1
1324 1 65 MET HB3 1 66 GLU HB3 . . 6.500 4.082 3.488 6.083 . 0 0 "[ . 1 . 2]" 1
1325 1 65 MET HB3 1 69 GLU H . . 5.850 5.814 4.803 5.994 0.144 5 0 "[ . 1 . 2]" 1
1326 1 65 MET HG2 1 66 GLU H . . 5.760 4.465 2.910 5.229 . 0 0 "[ . 1 . 2]" 1
1327 1 65 MET HG2 1 69 GLU H . . 6.500 6.143 4.893 6.633 0.133 9 0 "[ . 1 . 2]" 1
1328 1 65 MET HG2 1 95 ILE MD . . 6.050 4.328 2.504 5.390 . 0 0 "[ . 1 . 2]" 1
1329 1 65 MET HG3 1 69 GLU H . . 6.220 5.359 4.825 6.412 0.192 12 0 "[ . 1 . 2]" 1
1330 1 65 MET HG3 1 95 ILE MD . . 6.500 4.199 2.118 5.371 . 0 0 "[ . 1 . 2]" 1
1331 1 66 GLU H 1 66 GLU HB2 . . 3.800 3.606 3.540 3.686 . 0 0 "[ . 1 . 2]" 1
1332 1 66 GLU H 1 66 GLU HB3 . . 4.040 2.598 2.446 2.836 . 0 0 "[ . 1 . 2]" 1
1333 1 66 GLU H 1 66 GLU HG2 . . 5.490 2.201 1.787 2.685 . 0 0 "[ . 1 . 2]" 1
1334 1 66 GLU H 1 66 GLU HG3 . . 5.050 3.225 2.887 3.466 . 0 0 "[ . 1 . 2]" 1
1335 1 66 GLU H 1 67 TYR H . . 3.870 2.585 2.302 2.750 . 0 0 "[ . 1 . 2]" 1
1336 1 66 GLU H 1 67 TYR HA . . 6.500 5.273 5.036 5.437 . 0 0 "[ . 1 . 2]" 1
1337 1 66 GLU H 1 67 TYR HB2 . . 5.810 5.033 4.698 5.279 . 0 0 "[ . 1 . 2]" 1
1338 1 66 GLU H 1 67 TYR HB3 . . 5.120 4.607 4.250 4.900 . 0 0 "[ . 1 . 2]" 1
1339 1 66 GLU H 1 95 ILE MD . . 6.030 5.168 4.587 6.000 . 0 0 "[ . 1 . 2]" 1
1340 1 66 GLU HA 1 67 TYR H . . 4.800 3.565 3.516 3.610 . 0 0 "[ . 1 . 2]" 1
1341 1 66 GLU HA 1 69 GLU H . . 5.090 3.305 2.967 3.747 . 0 0 "[ . 1 . 2]" 1
1342 1 66 GLU HB2 1 67 TYR H . . 5.130 4.004 3.714 4.187 . 0 0 "[ . 1 . 2]" 1
1343 1 66 GLU HB3 1 67 TYR H . . 5.090 4.115 3.998 4.256 . 0 0 "[ . 1 . 2]" 1
1344 1 66 GLU HB3 1 68 LEU H . . 6.240 6.069 5.892 6.247 0.007 12 0 "[ . 1 . 2]" 1
1345 1 66 GLU HG2 1 67 TYR H . . 6.500 2.954 2.600 3.302 . 0 0 "[ . 1 . 2]" 1
1346 1 66 GLU HG2 1 67 TYR QD . . 6.500 6.326 5.844 6.612 0.112 13 0 "[ . 1 . 2]" 1
1347 1 66 GLU HG3 1 67 TYR H . . 5.300 2.585 2.379 2.733 . 0 0 "[ . 1 . 2]" 1
1348 1 66 GLU HG3 1 67 TYR HB2 . . 6.500 3.842 3.623 4.146 . 0 0 "[ . 1 . 2]" 1
1349 1 66 GLU HG3 1 67 TYR QD . . 6.500 5.375 4.988 5.747 . 0 0 "[ . 1 . 2]" 1
1350 1 66 GLU HG3 1 68 LEU H . . 5.220 5.253 5.136 5.342 0.122 12 0 "[ . 1 . 2]" 1
1351 1 67 TYR H 1 67 TYR HB2 . . 3.910 2.581 2.443 2.728 . 0 0 "[ . 1 . 2]" 1
1352 1 67 TYR H 1 67 TYR HB3 . . 3.840 2.383 2.276 2.442 . 0 0 "[ . 1 . 2]" 1
1353 1 67 TYR H 1 67 TYR QD . . 5.650 4.191 4.127 4.218 . 0 0 "[ . 1 . 2]" 1
1354 1 67 TYR H 1 70 ASN H . . 6.500 5.273 4.938 5.486 . 0 0 "[ . 1 . 2]" 1
1355 1 67 TYR HA 1 67 TYR QE . . 5.100 4.803 4.674 4.925 . 0 0 "[ . 1 . 2]" 1
1356 1 67 TYR HA 1 68 LEU H . . 5.340 3.616 3.586 3.653 . 0 0 "[ . 1 . 2]" 1
1357 1 67 TYR HA 1 68 LEU HA . . 6.500 4.714 4.612 4.825 . 0 0 "[ . 1 . 2]" 1
1358 1 67 TYR HA 1 69 GLU H . . 5.700 4.398 4.129 4.615 . 0 0 "[ . 1 . 2]" 1
1359 1 67 TYR HA 1 69 GLU HB2 . . 6.500 6.129 5.737 6.513 0.013 12 0 "[ . 1 . 2]" 1
1360 1 67 TYR HA 1 70 ASN H . . 5.400 3.889 3.524 4.147 . 0 0 "[ . 1 . 2]" 1
1361 1 67 TYR HA 1 74 TYR HB2 . . 4.450 3.258 2.440 4.578 0.128 7 0 "[ . 1 . 2]" 1
1362 1 67 TYR HA 1 74 TYR HB3 . . 4.490 3.100 2.350 4.570 0.080 18 0 "[ . 1 . 2]" 1
1363 1 67 TYR HA 1 74 TYR QD . . 6.500 3.611 2.371 6.058 . 0 0 "[ . 1 . 2]" 1
1364 1 67 TYR HB2 1 67 TYR QE . . 4.810 4.451 4.399 4.509 . 0 0 "[ . 1 . 2]" 1
1365 1 67 TYR HB2 1 68 LEU H . . 4.480 3.831 3.685 3.903 . 0 0 "[ . 1 . 2]" 1
1366 1 67 TYR HB2 1 68 LEU HA . . 6.500 5.594 5.488 5.675 . 0 0 "[ . 1 . 2]" 1
1367 1 67 TYR HB2 1 68 LEU HB2 . . 6.500 6.187 6.014 6.328 . 0 0 "[ . 1 . 2]" 1
1368 1 67 TYR HB2 1 68 LEU HG . . 6.500 4.926 4.764 5.159 . 0 0 "[ . 1 . 2]" 1
1369 1 67 TYR HB2 1 69 GLU H . . 6.500 5.770 5.574 5.965 . 0 0 "[ . 1 . 2]" 1
1370 1 67 TYR HB2 1 74 TYR QD . . 6.500 3.664 2.544 6.068 . 0 0 "[ . 1 . 2]" 1
1371 1 67 TYR HB3 1 67 TYR QE . . 4.570 4.450 4.418 4.476 . 0 0 "[ . 1 . 2]" 1
1372 1 67 TYR HB3 1 68 LEU H . . 4.270 2.418 2.243 2.504 . 0 0 "[ . 1 . 2]" 1
1373 1 67 TYR HB3 1 68 LEU HA . . 6.500 4.388 4.259 4.499 . 0 0 "[ . 1 . 2]" 1
1374 1 67 TYR HB3 1 68 LEU HG . . 6.500 3.214 3.030 3.464 . 0 0 "[ . 1 . 2]" 1
1375 1 67 TYR QD 1 68 LEU H . . 6.500 3.040 2.808 3.297 . 0 0 "[ . 1 . 2]" 1
1376 1 67 TYR QD 1 75 ILE HB . . 5.360 4.082 3.307 5.381 0.021 4 0 "[ . 1 . 2]" 1
1377 1 67 TYR QD 1 75 ILE MD . . 4.320 3.079 2.253 4.018 . 0 0 "[ . 1 . 2]" 1
1378 1 67 TYR QD 1 75 ILE QG . . 4.760 3.186 2.278 4.443 . 0 0 "[ . 1 . 2]" 1
1379 1 67 TYR QD 1 85 ILE MD . . 5.300 5.402 5.351 5.489 0.189 12 0 "[ . 1 . 2]" 1
1380 1 67 TYR QE 1 68 LEU H . . 6.500 5.282 5.065 5.537 . 0 0 "[ . 1 . 2]" 1
1381 1 68 LEU H 1 68 LEU HB2 . . 3.850 2.420 2.360 2.590 . 0 0 "[ . 1 . 2]" 1
1382 1 68 LEU H 1 68 LEU QD . . 4.570 3.200 3.135 3.294 . 0 0 "[ . 1 . 2]" 1
1383 1 68 LEU H 1 68 LEU HG . . 4.200 2.443 2.345 2.626 . 0 0 "[ . 1 . 2]" 1
1384 1 68 LEU H 1 69 GLU H . . 3.950 2.759 2.674 2.851 . 0 0 "[ . 1 . 2]" 1
1385 1 68 LEU H 1 70 ASN H . . 5.860 4.465 4.231 4.722 . 0 0 "[ . 1 . 2]" 1
1386 1 68 LEU H 1 85 ILE HB . . 6.040 5.987 5.569 6.122 0.082 6 0 "[ . 1 . 2]" 1
1387 1 68 LEU HA 1 69 GLU H . . 4.620 3.528 3.461 3.592 . 0 0 "[ . 1 . 2]" 1
1388 1 68 LEU HA 1 69 GLU HB2 . . 6.500 5.748 5.650 5.830 . 0 0 "[ . 1 . 2]" 1
1389 1 68 LEU HA 1 70 ASN H . . 5.280 4.038 3.640 4.352 . 0 0 "[ . 1 . 2]" 1
1390 1 68 LEU HA 1 70 ASN HA . . 6.500 5.199 4.986 5.572 . 0 0 "[ . 1 . 2]" 1
1391 1 68 LEU HA 1 70 ASN HD21 . . 6.500 6.434 6.120 6.580 0.080 3 0 "[ . 1 . 2]" 1
1392 1 68 LEU HA 1 80 MET ME . . 6.500 3.890 3.404 4.677 . 0 0 "[ . 1 . 2]" 1
1393 1 68 LEU HA 1 82 PHE QE . . 6.500 4.392 3.245 5.043 . 0 0 "[ . 1 . 2]" 1
1394 1 68 LEU HB2 1 69 GLU H . . 4.000 3.161 2.952 3.401 . 0 0 "[ . 1 . 2]" 1
1395 1 68 LEU HB2 1 69 GLU HG3 . . 6.500 6.546 6.477 6.605 0.105 19 0 "[ . 1 . 2]" 1
1396 1 68 LEU HB3 1 69 GLU H . . 5.520 3.976 3.738 4.184 . 0 0 "[ . 1 . 2]" 1
1397 1 68 LEU HB3 1 69 GLU HB2 . . 5.860 5.723 5.315 5.923 0.063 9 0 "[ . 1 . 2]" 1
1398 1 68 LEU QD 1 69 GLU H . . 5.700 4.407 4.302 4.484 . 0 0 "[ . 1 . 2]" 1
1399 1 68 LEU QD 1 70 ASN H . . 6.500 5.354 5.114 5.563 . 0 0 "[ . 1 . 2]" 1
1400 1 68 LEU QD 1 80 MET ME . . 4.440 2.463 1.976 3.405 . 0 0 "[ . 1 . 2]" 1
1401 1 68 LEU QD 1 82 PHE QE . . 5.690 3.863 3.194 4.401 . 0 0 "[ . 1 . 2]" 1
1402 1 68 LEU QD 1 85 ILE H . . 6.500 4.746 4.508 5.024 . 0 0 "[ . 1 . 2]" 1
1403 1 68 LEU HG 1 69 GLU H . . 5.080 4.773 4.666 4.894 . 0 0 "[ . 1 . 2]" 1
1404 1 69 GLU H 1 69 GLU HB2 . . 3.620 2.367 2.229 2.473 . 0 0 "[ . 1 . 2]" 1
1405 1 69 GLU H 1 69 GLU HB3 . . 4.010 2.687 2.484 2.853 . 0 0 "[ . 1 . 2]" 1
1406 1 69 GLU H 1 69 GLU HG2 . . 5.190 4.561 4.471 4.657 . 0 0 "[ . 1 . 2]" 1
1407 1 69 GLU H 1 70 ASN H . . 3.750 2.800 2.536 2.973 . 0 0 "[ . 1 . 2]" 1
1408 1 69 GLU H 1 70 ASN HA . . 6.370 5.297 5.114 5.422 . 0 0 "[ . 1 . 2]" 1
1409 1 69 GLU H 1 70 ASN QB . . 5.510 5.569 5.479 5.640 0.130 9 0 "[ . 1 . 2]" 1
1410 1 69 GLU H 1 71 PRO HD3 . . 5.000 4.948 4.553 5.077 0.077 3 0 "[ . 1 . 2]" 1
1411 1 69 GLU H 1 85 ILE H . . 6.150 4.524 4.274 4.758 . 0 0 "[ . 1 . 2]" 1
1412 1 69 GLU H 1 85 ILE HB . . 6.120 4.775 4.031 5.182 . 0 0 "[ . 1 . 2]" 1
1413 1 69 GLU H 1 85 ILE HG13 . . 6.500 5.884 5.118 6.603 0.103 19 0 "[ . 1 . 2]" 1
1414 1 69 GLU H 1 91 ARG HD2 . . 6.500 4.418 2.810 6.460 . 0 0 "[ . 1 . 2]" 1
1415 1 69 GLU H 1 91 ARG HD3 . . 6.500 4.061 3.112 5.747 . 0 0 "[ . 1 . 2]" 1
1416 1 69 GLU HA 1 70 ASN H . . 4.940 3.588 3.556 3.653 . 0 0 "[ . 1 . 2]" 1
1417 1 69 GLU HA 1 70 ASN HA . . 6.500 4.704 4.570 4.789 . 0 0 "[ . 1 . 2]" 1
1418 1 69 GLU HA 1 85 ILE H . . 6.500 2.693 2.317 3.268 . 0 0 "[ . 1 . 2]" 1
1419 1 69 GLU HA 1 85 ILE HB . . 6.500 3.427 2.547 4.088 . 0 0 "[ . 1 . 2]" 1
1420 1 69 GLU HA 1 91 ARG HD3 . . 6.500 3.831 2.255 5.738 . 0 0 "[ . 1 . 2]" 1
1421 1 69 GLU HB2 1 70 ASN H . . 4.080 3.865 3.677 4.034 . 0 0 "[ . 1 . 2]" 1
1422 1 69 GLU HB2 1 70 ASN QB . . 6.500 5.567 5.393 5.724 . 0 0 "[ . 1 . 2]" 1
1423 1 69 GLU HB2 1 70 ASN HD21 . . 6.500 5.473 4.739 6.187 . 0 0 "[ . 1 . 2]" 1
1424 1 69 GLU HB3 1 70 ASN H . . 4.510 2.699 2.374 2.908 . 0 0 "[ . 1 . 2]" 1
1425 1 69 GLU HB3 1 70 ASN HA . . 6.500 4.935 4.757 5.134 . 0 0 "[ . 1 . 2]" 1
1426 1 69 GLU HB3 1 70 ASN QB . . 6.500 4.291 4.054 4.505 . 0 0 "[ . 1 . 2]" 1
1427 1 69 GLU HB3 1 84 GLY HA3 . . 6.500 5.940 5.589 6.340 . 0 0 "[ . 1 . 2]" 1
1428 1 69 GLU HG2 1 70 ASN H . . 5.480 4.110 3.619 4.497 . 0 0 "[ . 1 . 2]" 1
1429 1 69 GLU HG3 1 70 ASN H . . 5.270 4.830 4.617 5.027 . 0 0 "[ . 1 . 2]" 1
1430 1 69 GLU HG3 1 70 ASN HA . . 6.500 5.906 5.594 6.256 . 0 0 "[ . 1 . 2]" 1
1431 1 70 ASN H 1 70 ASN HD22 . . 6.500 3.533 3.277 3.963 . 0 0 "[ . 1 . 2]" 1
1432 1 70 ASN H 1 71 PRO HA . . 6.010 3.987 3.564 4.188 . 0 0 "[ . 1 . 2]" 1
1433 1 70 ASN H 1 71 PRO HB2 . . 6.500 6.099 5.797 6.270 . 0 0 "[ . 1 . 2]" 1
1434 1 70 ASN H 1 71 PRO HD2 . . 5.040 4.479 4.096 4.732 . 0 0 "[ . 1 . 2]" 1
1435 1 70 ASN H 1 71 PRO HD3 . . 4.330 3.291 3.063 3.534 . 0 0 "[ . 1 . 2]" 1
1436 1 70 ASN H 1 71 PRO HG2 . . 6.120 5.758 5.510 6.045 . 0 0 "[ . 1 . 2]" 1
1437 1 70 ASN H 1 71 PRO HG3 . . 5.960 4.907 4.366 5.772 . 0 0 "[ . 1 . 2]" 1
1438 1 70 ASN H 1 72 LYS H . . 6.500 5.795 5.303 6.127 . 0 0 "[ . 1 . 2]" 1
1439 1 70 ASN H 1 73 LYS QB . . 5.340 4.765 4.344 5.242 . 0 0 "[ . 1 . 2]" 1
1440 1 70 ASN H 1 73 LYS QE . . 5.210 5.284 5.193 5.450 0.240 1 0 "[ . 1 . 2]" 1
1441 1 70 ASN H 1 73 LYS QG . . 6.500 6.385 5.681 6.597 0.097 20 0 "[ . 1 . 2]" 1
1442 1 70 ASN H 1 85 ILE H . . 6.500 4.683 4.221 5.261 . 0 0 "[ . 1 . 2]" 1
1443 1 70 ASN HA 1 70 ASN HD22 . . 5.500 4.999 4.905 5.101 . 0 0 "[ . 1 . 2]" 1
1444 1 70 ASN HA 1 71 PRO HB2 . . 6.500 5.373 5.032 5.808 . 0 0 "[ . 1 . 2]" 1
1445 1 70 ASN HA 1 71 PRO HB3 . . 6.500 5.534 5.051 5.819 . 0 0 "[ . 1 . 2]" 1
1446 1 70 ASN HA 1 71 PRO HD2 . . 5.360 2.527 2.200 2.773 . 0 0 "[ . 1 . 2]" 1
1447 1 70 ASN HA 1 71 PRO HD3 . . 5.290 2.435 2.143 2.835 . 0 0 "[ . 1 . 2]" 1
1448 1 70 ASN HA 1 71 PRO HG2 . . 6.500 4.623 4.409 4.812 . 0 0 "[ . 1 . 2]" 1
1449 1 70 ASN HA 1 71 PRO HG3 . . 6.500 4.574 4.348 4.784 . 0 0 "[ . 1 . 2]" 1
1450 1 70 ASN HA 1 72 LYS H . . 6.500 4.312 3.996 4.629 . 0 0 "[ . 1 . 2]" 1
1451 1 70 ASN HA 1 73 LYS H . . 5.210 4.636 4.290 5.144 . 0 0 "[ . 1 . 2]" 1
1452 1 70 ASN HA 1 73 LYS QB . . 6.500 4.616 4.091 5.424 . 0 0 "[ . 1 . 2]" 1
1453 1 70 ASN HA 1 85 ILE H . . 6.500 4.494 3.900 5.118 . 0 0 "[ . 1 . 2]" 1
1454 1 70 ASN QB 1 70 ASN HD22 . . 3.490 3.492 3.344 3.514 0.024 18 0 "[ . 1 . 2]" 1
1455 1 70 ASN QB 1 73 LYS QB . . 5.910 2.546 2.036 3.503 . 0 0 "[ . 1 . 2]" 1
1456 1 70 ASN QB 1 73 LYS QG . . 6.500 3.575 2.637 4.584 . 0 0 "[ . 1 . 2]" 1
1457 1 70 ASN HD21 1 71 PRO HA . . 6.500 4.227 3.914 4.495 . 0 0 "[ . 1 . 2]" 1
1458 1 70 ASN HD21 1 71 PRO HB3 . . 6.500 6.336 5.800 6.575 0.075 12 0 "[ . 1 . 2]" 1
1459 1 70 ASN HD21 1 71 PRO HD2 . . 6.500 5.453 5.236 5.603 . 0 0 "[ . 1 . 2]" 1
1460 1 70 ASN HD21 1 71 PRO HD3 . . 6.500 5.011 4.846 5.332 . 0 0 "[ . 1 . 2]" 1
1461 1 70 ASN HD21 1 73 LYS H . . 5.800 3.630 3.202 3.940 . 0 0 "[ . 1 . 2]" 1
1462 1 70 ASN HD21 1 73 LYS HA . . 6.500 5.291 4.917 5.674 . 0 0 "[ . 1 . 2]" 1
1463 1 70 ASN HD21 1 73 LYS QB . . 3.970 2.520 2.078 2.886 . 0 0 "[ . 1 . 2]" 1
1464 1 70 ASN HD21 1 73 LYS QD . . 4.750 3.705 2.674 4.610 . 0 0 "[ . 1 . 2]" 1
1465 1 70 ASN HD21 1 73 LYS QG . . 5.070 4.288 3.430 4.793 . 0 0 "[ . 1 . 2]" 1
1466 1 70 ASN HD21 1 74 TYR H . . 6.070 3.448 2.475 5.154 . 0 0 "[ . 1 . 2]" 1
1467 1 70 ASN HD22 1 73 LYS H . . 5.830 5.112 4.690 5.453 . 0 0 "[ . 1 . 2]" 1
1468 1 70 ASN HD22 1 73 LYS HA . . 6.500 6.101 5.219 6.528 0.028 13 0 "[ . 1 . 2]" 1
1469 1 70 ASN HD22 1 73 LYS QB . . 3.820 3.242 2.685 3.774 . 0 0 "[ . 1 . 2]" 1
1470 1 70 ASN HD22 1 73 LYS QG . . 5.450 4.488 2.941 5.453 0.003 16 0 "[ . 1 . 2]" 1
1471 1 71 PRO HA 1 72 LYS H . . 5.580 3.590 3.488 3.665 . 0 0 "[ . 1 . 2]" 1
1472 1 71 PRO HA 1 72 LYS HA . . 6.500 4.752 4.557 4.922 . 0 0 "[ . 1 . 2]" 1
1473 1 71 PRO HA 1 72 LYS QE . . 6.500 6.194 4.587 6.621 0.121 20 0 "[ . 1 . 2]" 1
1474 1 71 PRO HA 1 73 LYS H . . 6.020 3.942 3.557 4.530 . 0 0 "[ . 1 . 2]" 1
1475 1 71 PRO HA 1 74 TYR H . . 4.680 3.671 3.196 4.494 . 0 0 "[ . 1 . 2]" 1
1476 1 71 PRO HA 1 75 ILE H . . 5.570 4.075 3.658 5.243 . 0 0 "[ . 1 . 2]" 1
1477 1 71 PRO HB2 1 72 LYS H . . 3.930 2.789 2.306 3.673 . 0 0 "[ . 1 . 2]" 1
1478 1 71 PRO HB2 1 72 LYS HA . . 6.500 4.206 3.974 4.445 . 0 0 "[ . 1 . 2]" 1
1479 1 71 PRO HB2 1 72 LYS HB2 . . 6.440 5.621 4.753 6.365 . 0 0 "[ . 1 . 2]" 1
1480 1 71 PRO HB2 1 72 LYS HB3 . . 6.500 4.254 3.465 5.136 . 0 0 "[ . 1 . 2]" 1
1481 1 71 PRO HB2 1 73 LYS H . . 6.310 4.983 4.678 5.399 . 0 0 "[ . 1 . 2]" 1
1482 1 71 PRO HB2 1 80 MET ME . . 5.990 3.852 2.766 4.507 . 0 0 "[ . 1 . 2]" 1
1483 1 71 PRO HB2 1 80 MET HG2 . . 6.500 3.651 2.540 4.545 . 0 0 "[ . 1 . 2]" 1
1484 1 71 PRO HB2 1 80 MET HG3 . . 6.500 4.984 2.847 6.299 . 0 0 "[ . 1 . 2]" 1
1485 1 71 PRO HB2 1 82 PHE H . . 6.500 4.705 3.531 5.754 . 0 0 "[ . 1 . 2]" 1
1486 1 71 PRO HB3 1 72 LYS H . . 4.840 3.992 3.732 4.416 . 0 0 "[ . 1 . 2]" 1
1487 1 71 PRO HB3 1 72 LYS HA . . 6.500 5.265 4.711 5.833 . 0 0 "[ . 1 . 2]" 1
1488 1 71 PRO HB3 1 72 LYS HB3 . . 6.500 5.752 4.862 6.488 . 0 0 "[ . 1 . 2]" 1
1489 1 71 PRO HB3 1 72 LYS QD . . 6.500 6.067 5.244 6.599 0.099 18 0 "[ . 1 . 2]" 1
1490 1 71 PRO HB3 1 80 MET ME . . 5.310 3.374 2.263 4.251 . 0 0 "[ . 1 . 2]" 1
1491 1 71 PRO HB3 1 80 MET HG2 . . 6.500 3.803 2.205 5.070 . 0 0 "[ . 1 . 2]" 1
1492 1 71 PRO HB3 1 80 MET HG3 . . 6.500 5.225 3.102 6.462 . 0 0 "[ . 1 . 2]" 1
1493 1 71 PRO HD2 1 72 LYS H . . 4.920 3.001 2.652 3.263 . 0 0 "[ . 1 . 2]" 1
1494 1 71 PRO HD2 1 72 LYS HB3 . . 6.500 5.070 4.747 5.565 . 0 0 "[ . 1 . 2]" 1
1495 1 71 PRO HD2 1 73 LYS H . . 6.090 4.858 4.458 5.216 . 0 0 "[ . 1 . 2]" 1
1496 1 71 PRO HD2 1 80 MET ME . . 5.570 4.545 4.195 4.792 . 0 0 "[ . 1 . 2]" 1
1497 1 71 PRO HD2 1 82 PHE HA . . 6.500 5.609 5.089 5.996 . 0 0 "[ . 1 . 2]" 1
1498 1 71 PRO HD2 1 82 PHE QE . . 6.500 5.051 4.233 5.975 . 0 0 "[ . 1 . 2]" 1
1499 1 71 PRO HD3 1 72 LYS H . . 6.500 4.231 3.892 4.511 . 0 0 "[ . 1 . 2]" 1
1500 1 71 PRO HD3 1 72 LYS HB3 . . 6.500 6.534 6.338 6.638 0.138 7 0 "[ . 1 . 2]" 1
1501 1 71 PRO HD3 1 73 LYS H . . 6.500 5.480 5.294 5.789 . 0 0 "[ . 1 . 2]" 1
1502 1 71 PRO HD3 1 80 MET ME . . 5.540 4.197 3.743 4.566 . 0 0 "[ . 1 . 2]" 1
1503 1 71 PRO HD3 1 82 PHE HA . . 6.500 6.499 6.199 6.619 0.119 8 0 "[ . 1 . 2]" 1
1504 1 71 PRO HD3 1 82 PHE QE . . 6.500 4.328 3.554 5.194 . 0 0 "[ . 1 . 2]" 1
1505 1 71 PRO HG2 1 72 LYS H . . 5.100 3.559 2.094 4.299 . 0 0 "[ . 1 . 2]" 1
1506 1 71 PRO HG2 1 73 LYS H . . 6.500 5.947 4.776 6.533 0.033 12 0 "[ . 1 . 2]" 1
1507 1 71 PRO HG2 1 80 MET HB3 . . 6.500 4.755 3.674 5.958 . 0 0 "[ . 1 . 2]" 1
1508 1 71 PRO HG2 1 80 MET ME . . 4.730 2.906 2.239 4.031 . 0 0 "[ . 1 . 2]" 1
1509 1 71 PRO HG2 1 80 MET HG2 . . 6.500 3.497 2.385 4.211 . 0 0 "[ . 1 . 2]" 1
1510 1 71 PRO HG2 1 80 MET HG3 . . 6.090 4.641 2.718 5.829 . 0 0 "[ . 1 . 2]" 1
1511 1 71 PRO HG2 1 82 PHE HA . . 6.500 5.086 4.818 5.791 . 0 0 "[ . 1 . 2]" 1
1512 1 71 PRO HG2 1 82 PHE QD . . 6.220 2.981 2.176 4.517 . 0 0 "[ . 1 . 2]" 1
1513 1 71 PRO HG2 1 84 GLY HA2 . . 6.500 4.516 3.782 5.336 . 0 0 "[ . 1 . 2]" 1
1514 1 71 PRO HG2 1 84 GLY HA3 . . 6.500 5.627 4.827 6.304 . 0 0 "[ . 1 . 2]" 1
1515 1 71 PRO HG3 1 72 LYS H . . 6.190 4.467 3.738 4.781 . 0 0 "[ . 1 . 2]" 1
1516 1 71 PRO HG3 1 80 MET ME . . 4.860 2.639 2.116 3.116 . 0 0 "[ . 1 . 2]" 1
1517 1 71 PRO HG3 1 80 MET HG2 . . 6.500 3.921 2.618 4.816 . 0 0 "[ . 1 . 2]" 1
1518 1 71 PRO HG3 1 80 MET HG3 . . 6.160 5.132 2.874 6.216 0.056 19 0 "[ . 1 . 2]" 1
1519 1 71 PRO HG3 1 82 PHE H . . 6.500 5.391 3.650 6.449 . 0 0 "[ . 1 . 2]" 1
1520 1 71 PRO HG3 1 82 PHE HA . . 6.500 6.083 4.980 6.652 0.152 15 0 "[ . 1 . 2]" 1
1521 1 71 PRO HG3 1 82 PHE HB2 . . 6.500 4.945 3.843 5.807 . 0 0 "[ . 1 . 2]" 1
1522 1 71 PRO HG3 1 82 PHE HB3 . . 6.500 3.387 2.284 4.106 . 0 0 "[ . 1 . 2]" 1
1523 1 71 PRO HG3 1 82 PHE QE . . 6.500 4.804 4.205 5.407 . 0 0 "[ . 1 . 2]" 1
1524 1 71 PRO HG3 1 84 GLY HA3 . . 6.500 5.557 4.875 6.504 0.004 5 0 "[ . 1 . 2]" 1
1525 1 72 LYS H 1 72 LYS HB2 . . 3.620 3.597 3.543 3.652 0.032 9 0 "[ . 1 . 2]" 1
1526 1 72 LYS H 1 72 LYS HB3 . . 3.990 2.513 2.278 2.876 . 0 0 "[ . 1 . 2]" 1
1527 1 72 LYS H 1 72 LYS QD . . 4.260 2.668 1.812 3.325 . 0 0 "[ . 1 . 2]" 1
1528 1 72 LYS H 1 72 LYS QE . . 6.500 3.776 1.768 4.406 . 0 0 "[ . 1 . 2]" 1
1529 1 72 LYS H 1 72 LYS HG2 . . 4.240 3.697 3.232 4.271 0.031 6 0 "[ . 1 . 2]" 1
1530 1 72 LYS H 1 72 LYS HG3 . . 4.730 3.127 1.980 4.485 . 0 0 "[ . 1 . 2]" 1
1531 1 72 LYS H 1 73 LYS H . . 3.840 2.902 2.623 3.116 . 0 0 "[ . 1 . 2]" 1
1532 1 72 LYS H 1 74 TYR H . . 5.140 4.484 4.073 4.938 . 0 0 "[ . 1 . 2]" 1
1533 1 72 LYS H 1 75 ILE H . . 6.500 4.871 4.605 5.390 . 0 0 "[ . 1 . 2]" 1
1534 1 72 LYS H 1 78 THR MG . . 4.970 4.354 3.371 5.014 0.044 18 0 "[ . 1 . 2]" 1
1535 1 72 LYS HA 1 73 LYS H . . 4.060 3.357 3.134 3.446 . 0 0 "[ . 1 . 2]" 1
1536 1 72 LYS HA 1 73 LYS QD . . 6.500 6.483 5.860 6.637 0.137 10 0 "[ . 1 . 2]" 1
1537 1 72 LYS HA 1 73 LYS QG . . 6.500 5.802 4.605 6.595 0.095 4 0 "[ . 1 . 2]" 1
1538 1 72 LYS HA 1 75 ILE H . . 5.650 3.383 2.771 3.920 . 0 0 "[ . 1 . 2]" 1
1539 1 72 LYS HA 1 76 PRO HA . . 6.500 2.968 2.088 4.037 . 0 0 "[ . 1 . 2]" 1
1540 1 72 LYS HA 1 78 THR MG . . 5.440 3.355 2.206 4.473 . 0 0 "[ . 1 . 2]" 1
1541 1 72 LYS HB2 1 77 GLY H . . 6.500 5.579 4.127 6.538 0.038 19 0 "[ . 1 . 2]" 1
1542 1 72 LYS HB3 1 77 GLY H . . 6.500 6.218 5.273 6.669 0.169 19 0 "[ . 1 . 2]" 1
1543 1 72 LYS QE 1 73 LYS H . . 5.850 3.291 2.574 3.606 . 0 0 "[ . 1 . 2]" 1
1544 1 72 LYS QE 1 74 TYR H . . 5.020 5.050 4.842 5.152 0.132 10 0 "[ . 1 . 2]" 1
1545 1 72 LYS HG2 1 73 LYS H . . 5.000 4.199 2.760 5.079 0.079 7 0 "[ . 1 . 2]" 1
1546 1 72 LYS HG3 1 73 LYS H . . 5.220 4.387 3.813 5.251 0.031 6 0 "[ . 1 . 2]" 1
1547 1 73 LYS H 1 73 LYS QB . . 3.190 2.279 2.148 2.660 . 0 0 "[ . 1 . 2]" 1
1548 1 73 LYS H 1 73 LYS QD . . 3.930 3.917 3.776 4.118 0.188 10 0 "[ . 1 . 2]" 1
1549 1 73 LYS H 1 73 LYS QE . . 5.160 4.622 3.169 5.212 0.052 4 0 "[ . 1 . 2]" 1
1550 1 73 LYS H 1 73 LYS QG . . 4.580 3.470 2.318 4.174 . 0 0 "[ . 1 . 2]" 1
1551 1 73 LYS H 1 74 TYR H . . 3.590 2.322 2.027 2.747 . 0 0 "[ . 1 . 2]" 1
1552 1 73 LYS H 1 74 TYR HA . . 6.500 5.044 4.770 5.392 . 0 0 "[ . 1 . 2]" 1
1553 1 73 LYS H 1 74 TYR HB2 . . 5.790 4.639 4.174 5.188 . 0 0 "[ . 1 . 2]" 1
1554 1 73 LYS H 1 74 TYR HB3 . . 6.290 4.640 4.166 5.549 . 0 0 "[ . 1 . 2]" 1
1555 1 73 LYS H 1 75 ILE H . . 5.280 3.816 3.334 4.220 . 0 0 "[ . 1 . 2]" 1
1556 1 73 LYS HA 1 74 TYR H . . 4.420 3.520 3.304 3.592 . 0 0 "[ . 1 . 2]" 1
1557 1 73 LYS QB 1 74 TYR H . . 3.580 2.774 2.468 3.335 . 0 0 "[ . 1 . 2]" 1
1558 1 73 LYS QB 1 74 TYR HB2 . . 6.500 4.006 3.584 4.306 . 0 0 "[ . 1 . 2]" 1
1559 1 73 LYS QB 1 74 TYR HB3 . . 6.500 4.813 4.465 5.166 . 0 0 "[ . 1 . 2]" 1
1560 1 73 LYS QB 1 75 ILE H . . 5.780 4.847 4.579 5.193 . 0 0 "[ . 1 . 2]" 1
1561 1 73 LYS QG 1 74 TYR H . . 4.700 4.270 3.776 4.656 . 0 0 "[ . 1 . 2]" 1
1562 1 74 TYR H 1 74 TYR HB2 . . 3.730 2.585 2.301 2.921 . 0 0 "[ . 1 . 2]" 1
1563 1 74 TYR H 1 74 TYR HB3 . . 3.750 2.610 2.325 3.272 . 0 0 "[ . 1 . 2]" 1
1564 1 74 TYR H 1 74 TYR QD . . 4.920 4.230 4.119 4.412 . 0 0 "[ . 1 . 2]" 1
1565 1 74 TYR H 1 74 TYR QE . . 6.500 6.276 6.189 6.400 . 0 0 "[ . 1 . 2]" 1
1566 1 74 TYR H 1 75 ILE H . . 3.830 2.479 1.998 2.741 . 0 0 "[ . 1 . 2]" 1
1567 1 74 TYR H 1 75 ILE HB . . 5.610 5.139 4.772 5.403 . 0 0 "[ . 1 . 2]" 1
1568 1 74 TYR H 1 75 ILE MD . . 6.320 5.671 3.666 6.182 . 0 0 "[ . 1 . 2]" 1
1569 1 74 TYR H 1 75 ILE QG . . 6.120 4.687 3.933 5.107 . 0 0 "[ . 1 . 2]" 1
1570 1 74 TYR H 1 75 ILE MG . . 6.500 5.970 5.627 6.186 . 0 0 "[ . 1 . 2]" 1
1571 1 74 TYR HA 1 74 TYR QD . . 4.190 2.661 2.182 3.065 . 0 0 "[ . 1 . 2]" 1
1572 1 74 TYR HA 1 74 TYR QE . . 5.290 4.523 4.101 4.825 . 0 0 "[ . 1 . 2]" 1
1573 1 74 TYR HA 1 75 ILE H . . 5.200 3.560 3.511 3.598 . 0 0 "[ . 1 . 2]" 1
1574 1 74 TYR HA 1 75 ILE MD . . 6.500 5.325 4.330 5.990 . 0 0 "[ . 1 . 2]" 1
1575 1 74 TYR HA 1 75 ILE QG . . 6.500 4.339 4.000 4.816 . 0 0 "[ . 1 . 2]" 1
1576 1 74 TYR HA 1 75 ILE MG . . 6.500 6.017 5.763 6.136 . 0 0 "[ . 1 . 2]" 1
1577 1 74 TYR HB2 1 75 ILE H . . 4.600 3.932 3.724 4.171 . 0 0 "[ . 1 . 2]" 1
1578 1 74 TYR HB2 1 75 ILE HA . . 6.500 5.990 5.874 6.062 . 0 0 "[ . 1 . 2]" 1
1579 1 74 TYR HB2 1 75 ILE MD . . 6.500 5.357 3.903 5.754 . 0 0 "[ . 1 . 2]" 1
1580 1 74 TYR HB2 1 75 ILE QG . . 6.500 4.497 4.027 5.106 . 0 0 "[ . 1 . 2]" 1
1581 1 74 TYR HB3 1 75 ILE H . . 4.330 2.797 2.470 3.284 . 0 0 "[ . 1 . 2]" 1
1582 1 74 TYR HB3 1 75 ILE MD . . 6.500 4.105 2.334 4.644 . 0 0 "[ . 1 . 2]" 1
1583 1 74 TYR HB3 1 75 ILE QG . . 6.500 3.092 2.389 3.919 . 0 0 "[ . 1 . 2]" 1
1584 1 74 TYR QD 1 75 ILE H . . 5.260 3.999 3.420 4.545 . 0 0 "[ . 1 . 2]" 1
1585 1 74 TYR QD 1 75 ILE MD . . 6.060 2.785 2.162 4.089 . 0 0 "[ . 1 . 2]" 1
1586 1 74 TYR QD 1 75 ILE QG . . 6.500 2.311 2.161 3.039 . 0 0 "[ . 1 . 2]" 1
1587 1 74 TYR QE 1 75 ILE H . . 6.500 6.053 5.644 6.515 0.015 7 0 "[ . 1 . 2]" 1
1588 1 75 ILE H 1 75 ILE HB . . 4.170 2.840 2.674 3.149 . 0 0 "[ . 1 . 2]" 1
1589 1 75 ILE H 1 75 ILE MD . . 5.080 4.129 2.680 4.457 . 0 0 "[ . 1 . 2]" 1
1590 1 75 ILE H 1 75 ILE QG . . 4.830 3.043 2.727 3.573 . 0 0 "[ . 1 . 2]" 1
1591 1 75 ILE H 1 76 PRO HB3 . . 4.930 5.026 4.977 5.074 0.144 3 0 "[ . 1 . 2]" 1
1592 1 75 ILE H 1 76 PRO HD2 . . 5.480 4.423 3.791 4.871 . 0 0 "[ . 1 . 2]" 1
1593 1 75 ILE H 1 76 PRO HD3 . . 5.330 3.591 3.105 3.929 . 0 0 "[ . 1 . 2]" 1
1594 1 75 ILE H 1 78 THR MG . . 6.500 4.170 3.532 5.028 . 0 0 "[ . 1 . 2]" 1
1595 1 75 ILE HA 1 76 PRO HD2 . . 3.920 2.220 2.115 2.385 . 0 0 "[ . 1 . 2]" 1
1596 1 75 ILE HA 1 76 PRO HD3 . . 5.130 2.669 2.324 3.175 . 0 0 "[ . 1 . 2]" 1
1597 1 75 ILE HB 1 77 GLY H . . 5.950 4.406 3.896 4.995 . 0 0 "[ . 1 . 2]" 1
1598 1 75 ILE HB 1 78 THR H . . 5.670 4.616 3.123 5.704 0.034 3 0 "[ . 1 . 2]" 1
1599 1 75 ILE HB 1 78 THR HA . . 6.500 5.403 4.399 6.385 . 0 0 "[ . 1 . 2]" 1
1600 1 75 ILE HB 1 78 THR HB . . 6.240 3.382 2.201 5.364 . 0 0 "[ . 1 . 2]" 1
1601 1 75 ILE HB 1 78 THR MG . . 6.220 2.837 2.203 3.881 . 0 0 "[ . 1 . 2]" 1
1602 1 75 ILE QG 1 77 GLY H . . 5.660 5.332 4.682 5.770 0.110 15 0 "[ . 1 . 2]" 1
1603 1 75 ILE MG 1 76 PRO HD2 . . 6.500 3.380 2.881 3.862 . 0 0 "[ . 1 . 2]" 1
1604 1 75 ILE MG 1 76 PRO HD3 . . 6.500 4.293 3.921 4.714 . 0 0 "[ . 1 . 2]" 1
1605 1 75 ILE MG 1 77 GLY H . . 5.530 2.700 2.037 3.205 . 0 0 "[ . 1 . 2]" 1
1606 1 75 ILE MG 1 78 THR H . . 4.480 3.178 2.260 4.281 . 0 0 "[ . 1 . 2]" 1
1607 1 76 PRO HA 1 77 GLY H . . 4.690 2.993 2.307 3.552 . 0 0 "[ . 1 . 2]" 1
1608 1 76 PRO HA 1 77 GLY HA3 . . 6.500 4.995 4.548 5.377 . 0 0 "[ . 1 . 2]" 1
1609 1 76 PRO HB2 1 77 GLY H . . 5.410 4.166 3.717 4.487 . 0 0 "[ . 1 . 2]" 1
1610 1 76 PRO HB2 1 77 GLY HA2 . . 6.500 4.980 4.503 5.465 . 0 0 "[ . 1 . 2]" 1
1611 1 76 PRO HB2 1 77 GLY HA3 . . 6.500 5.316 5.112 5.614 . 0 0 "[ . 1 . 2]" 1
1612 1 76 PRO HB3 1 77 GLY H . . 5.300 4.491 4.239 4.709 . 0 0 "[ . 1 . 2]" 1
1613 1 76 PRO HD2 1 77 GLY H . . 6.500 3.616 2.500 4.783 . 0 0 "[ . 1 . 2]" 1
1614 1 76 PRO HD3 1 77 GLY H . . 6.500 4.406 3.763 5.101 . 0 0 "[ . 1 . 2]" 1
1615 1 77 GLY H 1 78 THR H . . 4.620 2.726 1.792 3.955 . 0 0 "[ . 1 . 2]" 1
1616 1 77 GLY HA2 1 78 THR HB . . 6.500 5.557 4.821 6.362 . 0 0 "[ . 1 . 2]" 1
1617 1 77 GLY HA3 1 78 THR H . . 5.090 3.312 2.120 3.622 . 0 0 "[ . 1 . 2]" 1
1618 1 78 THR H 1 78 THR HB . . 3.950 3.010 2.401 3.684 . 0 0 "[ . 1 . 2]" 1
1619 1 78 THR H 1 78 THR MG . . 3.510 2.494 2.025 3.501 . 0 0 "[ . 1 . 2]" 1
1620 1 78 THR H 1 79 LYS HB2 . . 6.500 6.537 6.188 6.708 0.208 2 0 "[ . 1 . 2]" 1
1621 1 78 THR H 1 79 LYS HG2 . . 6.470 6.137 5.128 6.539 0.069 9 0 "[ . 1 . 2]" 1
1622 1 78 THR MG 1 79 LYS HA . . 6.500 4.478 4.008 5.533 . 0 0 "[ . 1 . 2]" 1
1623 1 78 THR MG 1 80 MET H . . 6.500 2.746 2.228 4.050 . 0 0 "[ . 1 . 2]" 1
1624 1 78 THR MG 1 80 MET HB2 . . 6.500 3.743 3.121 4.465 . 0 0 "[ . 1 . 2]" 1
1625 1 78 THR MG 1 80 MET HB3 . . 6.500 2.524 2.108 3.581 . 0 0 "[ . 1 . 2]" 1
1626 1 79 LYS HA 1 80 MET H . . 6.500 3.296 3.078 3.478 . 0 0 "[ . 1 . 2]" 1
1627 1 79 LYS HA 1 81 ILE MD . . 6.500 3.066 2.291 4.024 . 0 0 "[ . 1 . 2]" 1
1628 1 80 MET H 1 81 ILE H . . 6.500 4.258 3.962 4.619 . 0 0 "[ . 1 . 2]" 1
1629 1 80 MET HA 1 81 ILE H . . 3.590 2.235 2.142 2.336 . 0 0 "[ . 1 . 2]" 1
1630 1 80 MET HA 1 81 ILE HA . . 6.500 4.518 4.476 4.563 . 0 0 "[ . 1 . 2]" 1
1631 1 80 MET HA 1 81 ILE MD . . 6.500 4.375 4.014 4.687 . 0 0 "[ . 1 . 2]" 1
1632 1 80 MET HA 1 82 PHE H . . 6.290 4.951 3.884 5.427 . 0 0 "[ . 1 . 2]" 1
1633 1 80 MET HB2 1 81 ILE H . . 6.190 4.512 4.254 4.632 . 0 0 "[ . 1 . 2]" 1
1634 1 80 MET HB2 1 82 PHE H . . 6.500 5.923 5.031 6.509 0.009 5 0 "[ . 1 . 2]" 1
1635 1 80 MET HB3 1 81 ILE H . . 5.710 4.520 4.294 4.591 . 0 0 "[ . 1 . 2]" 1
1636 1 80 MET ME 1 81 ILE H . . 6.500 5.389 4.649 5.767 . 0 0 "[ . 1 . 2]" 1
1637 1 80 MET ME 1 81 ILE HA . . 6.500 5.900 5.402 6.257 . 0 0 "[ . 1 . 2]" 1
1638 1 80 MET ME 1 82 PHE H . . 5.450 4.561 4.187 4.998 . 0 0 "[ . 1 . 2]" 1
1639 1 80 MET ME 1 82 PHE HA . . 6.170 4.567 4.053 4.939 . 0 0 "[ . 1 . 2]" 1
1640 1 80 MET ME 1 82 PHE HB2 . . 5.240 2.678 2.316 3.111 . 0 0 "[ . 1 . 2]" 1
1641 1 80 MET ME 1 82 PHE HB3 . . 4.580 2.364 2.151 3.309 . 0 0 "[ . 1 . 2]" 1
1642 1 80 MET ME 1 82 PHE QD . . 4.420 2.753 2.287 3.288 . 0 0 "[ . 1 . 2]" 1
1643 1 80 MET ME 1 82 PHE QE . . 5.980 3.872 3.203 4.493 . 0 0 "[ . 1 . 2]" 1
1644 1 80 MET HG2 1 81 ILE H . . 5.420 4.522 3.495 5.515 0.095 12 0 "[ . 1 . 2]" 1
1645 1 80 MET HG2 1 82 PHE H . . 5.510 3.939 3.337 5.236 . 0 0 "[ . 1 . 2]" 1
1646 1 80 MET HG2 1 82 PHE HB2 . . 5.830 3.287 2.248 4.995 . 0 0 "[ . 1 . 2]" 1
1647 1 80 MET HG2 1 82 PHE HB3 . . 5.920 2.879 2.118 4.383 . 0 0 "[ . 1 . 2]" 1
1648 1 80 MET HG3 1 81 ILE H . . 4.990 3.659 2.720 4.154 . 0 0 "[ . 1 . 2]" 1
1649 1 80 MET HG3 1 82 PHE H . . 5.910 4.169 2.507 4.975 . 0 0 "[ . 1 . 2]" 1
1650 1 80 MET HG3 1 82 PHE HA . . 6.500 5.184 4.705 5.547 . 0 0 "[ . 1 . 2]" 1
1651 1 80 MET HG3 1 82 PHE HB2 . . 6.430 3.043 2.534 3.668 . 0 0 "[ . 1 . 2]" 1
1652 1 80 MET HG3 1 82 PHE HB3 . . 6.020 3.374 2.254 4.707 . 0 0 "[ . 1 . 2]" 1
1653 1 81 ILE H 1 81 ILE HB . . 3.820 2.586 2.433 2.762 . 0 0 "[ . 1 . 2]" 1
1654 1 81 ILE H 1 81 ILE MD . . 4.780 3.183 2.898 3.628 . 0 0 "[ . 1 . 2]" 1
1655 1 81 ILE H 1 81 ILE HG12 . . 4.360 2.390 2.183 2.751 . 0 0 "[ . 1 . 2]" 1
1656 1 81 ILE H 1 81 ILE HG13 . . 4.230 3.832 3.658 4.085 . 0 0 "[ . 1 . 2]" 1
1657 1 81 ILE H 1 82 PHE H . . 5.260 4.017 3.375 4.339 . 0 0 "[ . 1 . 2]" 1
1658 1 81 ILE H 1 82 PHE HB3 . . 6.500 5.338 4.967 5.771 . 0 0 "[ . 1 . 2]" 1
1659 1 81 ILE HA 1 82 PHE H . . 3.350 2.205 2.128 2.480 . 0 0 "[ . 1 . 2]" 1
1660 1 81 ILE HA 1 82 PHE HA . . 6.500 4.425 4.330 4.491 . 0 0 "[ . 1 . 2]" 1
1661 1 81 ILE HA 1 82 PHE HB3 . . 6.500 4.864 4.536 5.104 . 0 0 "[ . 1 . 2]" 1
1662 1 81 ILE HB 1 82 PHE H . . 5.060 4.472 4.394 4.532 . 0 0 "[ . 1 . 2]" 1
1663 1 81 ILE HB 1 82 PHE HA . . 6.500 5.112 4.923 5.292 . 0 0 "[ . 1 . 2]" 1
1664 1 81 ILE HB 1 82 PHE HB3 . . 6.500 6.335 6.101 6.532 0.032 5 0 "[ . 1 . 2]" 1
1665 1 81 ILE MD 1 82 PHE H . . 4.540 3.995 3.849 4.138 . 0 0 "[ . 1 . 2]" 1
1666 1 81 ILE HG12 1 82 PHE H . . 5.620 5.277 5.073 5.408 . 0 0 "[ . 1 . 2]" 1
1667 1 81 ILE HG13 1 82 PHE H . . 5.780 5.836 5.721 5.907 0.127 6 0 "[ . 1 . 2]" 1
1668 1 81 ILE MG 1 82 PHE H . . 4.570 3.551 3.208 4.048 . 0 0 "[ . 1 . 2]" 1
1669 1 82 PHE H 1 83 VAL H . . 5.940 4.309 4.156 4.543 . 0 0 "[ . 1 . 2]" 1
1670 1 82 PHE H 1 83 VAL HA . . 5.780 4.673 4.435 5.319 . 0 0 "[ . 1 . 2]" 1
1671 1 82 PHE HA 1 82 PHE QE . . 5.520 4.542 4.295 4.744 . 0 0 "[ . 1 . 2]" 1
1672 1 82 PHE HA 1 83 VAL H . . 3.570 2.225 2.153 2.361 . 0 0 "[ . 1 . 2]" 1
1673 1 82 PHE HA 1 83 VAL HA . . 5.210 4.381 4.325 4.456 . 0 0 "[ . 1 . 2]" 1
1674 1 82 PHE HA 1 83 VAL HB . . 6.500 4.824 4.448 5.819 . 0 0 "[ . 1 . 2]" 1
1675 1 82 PHE HA 1 83 VAL QG . . 6.080 3.494 3.125 3.907 . 0 0 "[ . 1 . 2]" 1
1676 1 82 PHE HB2 1 83 VAL H . . 5.630 4.294 3.914 4.436 . 0 0 "[ . 1 . 2]" 1
1677 1 82 PHE HB2 1 83 VAL QG . . 6.500 5.406 4.746 5.793 . 0 0 "[ . 1 . 2]" 1
1678 1 82 PHE HB3 1 83 VAL H . . 6.500 4.046 3.514 4.279 . 0 0 "[ . 1 . 2]" 1
1679 1 82 PHE HB3 1 83 VAL HB . . 6.500 6.380 6.083 6.587 0.087 8 0 "[ . 1 . 2]" 1
1680 1 82 PHE HB3 1 83 VAL QG . . 6.500 5.162 4.458 5.382 . 0 0 "[ . 1 . 2]" 1
1681 1 82 PHE QD 1 83 VAL H . . 5.070 3.458 2.819 3.788 . 0 0 "[ . 1 . 2]" 1
1682 1 82 PHE QD 1 84 GLY HA2 . . 6.500 2.834 2.303 3.540 . 0 0 "[ . 1 . 2]" 1
1683 1 82 PHE QD 1 84 GLY HA3 . . 6.500 4.304 3.851 4.993 . 0 0 "[ . 1 . 2]" 1
1684 1 82 PHE QD 1 85 ILE H . . 6.010 4.647 3.836 5.328 . 0 0 "[ . 1 . 2]" 1
1685 1 82 PHE QE 1 83 VAL H . . 6.350 4.399 3.766 4.760 . 0 0 "[ . 1 . 2]" 1
1686 1 82 PHE QE 1 84 GLY HA2 . . 6.500 2.694 2.307 3.063 . 0 0 "[ . 1 . 2]" 1
1687 1 82 PHE QE 1 84 GLY HA3 . . 6.500 4.127 3.882 4.385 . 0 0 "[ . 1 . 2]" 1
1688 1 82 PHE QE 1 85 ILE H . . 4.540 3.292 2.569 3.890 . 0 0 "[ . 1 . 2]" 1
1689 1 82 PHE QE 1 85 ILE HA . . 4.350 3.969 3.256 4.389 0.039 19 0 "[ . 1 . 2]" 1
1690 1 82 PHE QE 1 85 ILE HB . . 6.500 4.284 3.433 4.620 . 0 0 "[ . 1 . 2]" 1
1691 1 82 PHE QE 1 85 ILE MD . . 4.550 3.037 2.160 3.685 . 0 0 "[ . 1 . 2]" 1
1692 1 82 PHE QE 1 85 ILE HG12 . . 4.340 3.062 2.347 3.914 . 0 0 "[ . 1 . 2]" 1
1693 1 82 PHE QE 1 85 ILE HG13 . . 4.800 2.251 2.121 2.414 . 0 0 "[ . 1 . 2]" 1
1694 1 82 PHE HZ 1 85 ILE H . . 6.010 5.165 3.416 5.986 . 0 0 "[ . 1 . 2]" 1
1695 1 82 PHE HZ 1 85 ILE MD . . 4.960 3.380 2.383 4.091 . 0 0 "[ . 1 . 2]" 1
1696 1 82 PHE HZ 1 85 ILE HG12 . . 3.880 2.959 2.538 3.554 . 0 0 "[ . 1 . 2]" 1
1697 1 82 PHE HZ 1 85 ILE HG13 . . 4.730 3.277 2.216 4.207 . 0 0 "[ . 1 . 2]" 1
1698 1 83 VAL H 1 83 VAL HB . . 4.080 2.696 2.406 3.699 . 0 0 "[ . 1 . 2]" 1
1699 1 83 VAL H 1 83 VAL QG . . 3.560 2.190 1.866 2.458 . 0 0 "[ . 1 . 2]" 1
1700 1 83 VAL QG 1 85 ILE H . . 6.240 5.527 4.617 6.151 . 0 0 "[ . 1 . 2]" 1
1701 1 84 GLY HA2 1 85 ILE H . . 3.700 2.338 2.154 2.538 . 0 0 "[ . 1 . 2]" 1
1702 1 84 GLY HA2 1 85 ILE HB . . 6.500 4.594 4.180 4.903 . 0 0 "[ . 1 . 2]" 1
1703 1 84 GLY HA2 1 85 ILE MD . . 6.500 4.515 3.475 5.134 . 0 0 "[ . 1 . 2]" 1
1704 1 84 GLY HA2 1 85 ILE HG12 . . 6.500 4.900 4.098 5.687 . 0 0 "[ . 1 . 2]" 1
1705 1 84 GLY HA3 1 85 ILE H . . 3.980 2.764 2.385 3.167 . 0 0 "[ . 1 . 2]" 1
1706 1 84 GLY HA3 1 85 ILE MD . . 6.500 5.642 4.847 6.175 . 0 0 "[ . 1 . 2]" 1
1707 1 84 GLY HA3 1 85 ILE HG12 . . 6.500 5.868 5.190 6.619 0.119 7 0 "[ . 1 . 2]" 1
1708 1 84 GLY HA3 1 85 ILE HG13 . . 6.500 4.716 4.099 5.169 . 0 0 "[ . 1 . 2]" 1
1709 1 84 GLY HA3 1 85 ILE MG . . 6.500 5.824 5.676 6.047 . 0 0 "[ . 1 . 2]" 1
1710 1 85 ILE H 1 85 ILE HB . . 3.720 2.518 2.089 2.826 . 0 0 "[ . 1 . 2]" 1
1711 1 85 ILE H 1 85 ILE MD . . 4.490 3.670 2.804 4.166 . 0 0 "[ . 1 . 2]" 1
1712 1 85 ILE H 1 85 ILE HG12 . . 4.070 3.823 3.442 4.240 0.170 13 0 "[ . 1 . 2]" 1
1713 1 85 ILE H 1 85 ILE HG13 . . 4.470 2.658 2.277 3.107 . 0 0 "[ . 1 . 2]" 1
1714 1 85 ILE H 1 85 ILE MG . . 4.030 3.814 3.586 3.959 . 0 0 "[ . 1 . 2]" 1
1715 1 85 ILE H 1 86 LYS H . . 5.060 4.341 4.027 4.584 . 0 0 "[ . 1 . 2]" 1
1716 1 85 ILE H 1 86 LYS HA . . 5.480 4.996 4.568 5.590 0.110 7 0 "[ . 1 . 2]" 1
1717 1 85 ILE H 1 91 ARG HD3 . . 5.470 4.502 3.364 5.662 0.192 7 0 "[ . 1 . 2]" 1
1718 1 85 ILE HA 1 86 LYS H . . 4.020 2.180 2.079 2.237 . 0 0 "[ . 1 . 2]" 1
1719 1 85 ILE HA 1 87 LYS H . . 4.460 4.042 3.820 4.351 . 0 0 "[ . 1 . 2]" 1
1720 1 85 ILE HB 1 86 LYS H . . 5.010 4.317 4.086 4.478 . 0 0 "[ . 1 . 2]" 1
1721 1 85 ILE HB 1 87 LYS H . . 6.180 4.842 4.016 5.198 . 0 0 "[ . 1 . 2]" 1
1722 1 85 ILE HB 1 91 ARG HD2 . . 6.500 3.870 2.689 4.742 . 0 0 "[ . 1 . 2]" 1
1723 1 85 ILE HB 1 91 ARG HD3 . . 6.500 2.824 2.302 4.026 . 0 0 "[ . 1 . 2]" 1
1724 1 85 ILE MD 1 91 ARG HD2 . . 6.500 3.906 2.180 4.877 . 0 0 "[ . 1 . 2]" 1
1725 1 85 ILE MD 1 91 ARG HD3 . . 6.500 3.219 2.067 4.227 . 0 0 "[ . 1 . 2]" 1
1726 1 85 ILE HG13 1 86 LYS H . . 5.450 5.000 4.002 5.332 . 0 0 "[ . 1 . 2]" 1
1727 1 85 ILE MG 1 86 LYS H . . 4.810 2.931 2.299 3.436 . 0 0 "[ . 1 . 2]" 1
1728 1 85 ILE MG 1 87 LYS H . . 3.650 2.582 1.810 2.993 . 0 0 "[ . 1 . 2]" 1
1729 1 85 ILE MG 1 87 LYS HA . . 6.500 4.453 3.739 4.865 . 0 0 "[ . 1 . 2]" 1
1730 1 85 ILE MG 1 89 GLU H . . 6.500 5.607 5.053 5.908 . 0 0 "[ . 1 . 2]" 1
1731 1 85 ILE MG 1 90 GLU H . . 4.420 4.244 3.904 4.605 0.185 5 0 "[ . 1 . 2]" 1
1732 1 85 ILE MG 1 90 GLU HB2 . . 5.300 2.749 2.138 4.007 . 0 0 "[ . 1 . 2]" 1
1733 1 85 ILE MG 1 90 GLU HB3 . . 5.670 3.406 2.479 5.089 . 0 0 "[ . 1 . 2]" 1
1734 1 85 ILE MG 1 91 ARG H . . 3.900 3.322 2.733 4.056 0.156 19 0 "[ . 1 . 2]" 1
1735 1 85 ILE MG 1 91 ARG HA . . 5.700 3.936 3.125 5.303 . 0 0 "[ . 1 . 2]" 1
1736 1 85 ILE MG 1 91 ARG HD2 . . 6.500 3.840 2.020 4.770 . 0 0 "[ . 1 . 2]" 1
1737 1 85 ILE MG 1 91 ARG HD3 . . 6.500 3.303 2.076 4.244 . 0 0 "[ . 1 . 2]" 1
1738 1 86 LYS H 1 86 LYS QB . . 3.910 2.379 2.060 2.777 . 0 0 "[ . 1 . 2]" 1
1739 1 86 LYS H 1 87 LYS H . . 4.980 2.639 2.150 3.092 . 0 0 "[ . 1 . 2]" 1
1740 1 86 LYS H 1 87 LYS HG2 . . 5.930 4.561 3.688 5.318 . 0 0 "[ . 1 . 2]" 1
1741 1 86 LYS HA 1 87 LYS H . . 4.650 3.527 3.214 3.596 . 0 0 "[ . 1 . 2]" 1
1742 1 86 LYS HA 1 87 LYS HA . . 6.500 4.711 4.368 4.848 . 0 0 "[ . 1 . 2]" 1
1743 1 86 LYS HA 1 87 LYS QD . . 5.890 5.649 4.744 5.967 0.077 7 0 "[ . 1 . 2]" 1
1744 1 86 LYS QB 1 87 LYS H . . 3.700 2.974 2.460 3.881 0.181 19 0 "[ . 1 . 2]" 1
1745 1 86 LYS QB 1 87 LYS HA . . 5.730 4.347 3.937 4.853 . 0 0 "[ . 1 . 2]" 1
1746 1 86 LYS QB 1 87 LYS QE . . 6.410 5.101 3.661 6.230 . 0 0 "[ . 1 . 2]" 1
1747 1 87 LYS H 1 87 LYS HB2 . . 3.930 2.674 2.277 3.875 . 0 0 "[ . 1 . 2]" 1
1748 1 87 LYS H 1 87 LYS HB3 . . 3.870 3.524 2.723 3.660 . 0 0 "[ . 1 . 2]" 1
1749 1 87 LYS H 1 87 LYS QD . . 3.800 3.610 2.489 3.870 0.070 13 0 "[ . 1 . 2]" 1
1750 1 87 LYS H 1 87 LYS QE . . 5.790 4.846 4.227 5.290 . 0 0 "[ . 1 . 2]" 1
1751 1 87 LYS H 1 87 LYS HG2 . . 3.900 2.509 2.028 2.838 . 0 0 "[ . 1 . 2]" 1
1752 1 87 LYS H 1 87 LYS HG3 . . 3.950 3.810 3.502 4.004 0.054 4 0 "[ . 1 . 2]" 1
1753 1 87 LYS H 1 88 LYS H . . 6.500 4.524 4.003 4.694 . 0 0 "[ . 1 . 2]" 1
1754 1 87 LYS H 1 90 GLU H . . 6.080 5.053 4.173 5.420 . 0 0 "[ . 1 . 2]" 1
1755 1 87 LYS H 1 90 GLU HB2 . . 4.980 4.359 3.685 5.066 0.086 7 0 "[ . 1 . 2]" 1
1756 1 87 LYS H 1 90 GLU HG3 . . 5.750 4.922 4.222 5.841 0.091 7 0 "[ . 1 . 2]" 1
1757 1 87 LYS H 1 91 ARG H . . 6.500 5.529 4.937 6.041 . 0 0 "[ . 1 . 2]" 1
1758 1 87 LYS HA 1 88 LYS H . . 3.920 2.132 2.001 2.271 . 0 0 "[ . 1 . 2]" 1
1759 1 87 LYS HA 1 88 LYS HA . . 6.500 4.470 4.387 4.543 . 0 0 "[ . 1 . 2]" 1
1760 1 87 LYS HA 1 88 LYS HB2 . . 6.500 4.888 4.144 5.792 . 0 0 "[ . 1 . 2]" 1
1761 1 87 LYS HA 1 89 GLU H . . 5.120 3.714 3.216 4.071 . 0 0 "[ . 1 . 2]" 1
1762 1 87 LYS HB2 1 89 GLU H . . 5.590 3.995 2.630 4.575 . 0 0 "[ . 1 . 2]" 1
1763 1 87 LYS HB2 1 90 GLU H . . 4.000 2.956 2.213 3.424 . 0 0 "[ . 1 . 2]" 1
1764 1 87 LYS HB3 1 88 LYS H . . 4.930 3.370 2.579 4.210 . 0 0 "[ . 1 . 2]" 1
1765 1 87 LYS HB3 1 89 GLU H . . 4.410 3.109 2.551 4.446 0.036 19 0 "[ . 1 . 2]" 1
1766 1 87 LYS HB3 1 90 GLU H . . 4.440 2.809 2.154 4.685 0.245 19 0 "[ . 1 . 2]" 1
1767 1 87 LYS QD 1 90 GLU H . . 4.590 4.366 3.954 4.637 0.047 7 0 "[ . 1 . 2]" 1
1768 1 87 LYS QD 1 90 GLU HG2 . . 6.500 5.334 3.921 6.180 . 0 0 "[ . 1 . 2]" 1
1769 1 87 LYS QD 1 90 GLU HG3 . . 6.360 4.093 2.463 5.271 . 0 0 "[ . 1 . 2]" 1
1770 1 87 LYS QE 1 89 GLU H . . 5.730 5.423 4.507 5.791 0.061 3 0 "[ . 1 . 2]" 1
1771 1 87 LYS QE 1 90 GLU H . . 6.130 5.308 3.445 6.142 0.012 5 0 "[ . 1 . 2]" 1
1772 1 87 LYS HG2 1 90 GLU H . . 5.270 4.709 2.199 5.374 0.104 13 0 "[ . 1 . 2]" 1
1773 1 87 LYS HG3 1 89 GLU H . . 4.930 4.802 3.821 5.044 0.114 13 0 "[ . 1 . 2]" 1
1774 1 87 LYS HG3 1 90 GLU H . . 4.640 3.737 2.064 4.549 . 0 0 "[ . 1 . 2]" 1
1775 1 88 LYS H 1 88 LYS QD . . 5.430 4.201 3.601 4.840 . 0 0 "[ . 1 . 2]" 1
1776 1 88 LYS H 1 88 LYS QG . . 5.060 3.233 1.919 4.072 . 0 0 "[ . 1 . 2]" 1
1777 1 88 LYS H 1 89 GLU H . . 5.520 2.542 2.069 2.881 . 0 0 "[ . 1 . 2]" 1
1778 1 88 LYS H 1 89 GLU QB . . 6.500 4.446 3.812 4.814 . 0 0 "[ . 1 . 2]" 1
1779 1 88 LYS H 1 90 GLU H . . 6.500 4.450 3.943 4.874 . 0 0 "[ . 1 . 2]" 1
1780 1 88 LYS HA 1 89 GLU H . . 5.050 3.554 3.451 3.613 . 0 0 "[ . 1 . 2]" 1
1781 1 88 LYS HA 1 89 GLU HA . . 6.500 4.808 4.699 4.967 . 0 0 "[ . 1 . 2]" 1
1782 1 88 LYS HA 1 90 GLU H . . 5.800 4.522 3.985 4.790 . 0 0 "[ . 1 . 2]" 1
1783 1 88 LYS HA 1 91 ARG H . . 4.840 3.619 2.807 4.267 . 0 0 "[ . 1 . 2]" 1
1784 1 88 LYS HA 1 91 ARG HB2 . . 6.500 3.247 2.291 5.297 . 0 0 "[ . 1 . 2]" 1
1785 1 88 LYS HA 1 91 ARG HB3 . . 6.500 4.461 3.877 5.829 . 0 0 "[ . 1 . 2]" 1
1786 1 88 LYS HA 1 92 ALA H . . 5.380 4.331 3.899 5.243 . 0 0 "[ . 1 . 2]" 1
1787 1 88 LYS HB2 1 89 GLU H . . 4.000 3.837 2.562 4.091 0.091 2 0 "[ . 1 . 2]" 1
1788 1 88 LYS HB3 1 89 GLU H . . 4.140 3.251 2.561 4.196 0.056 1 0 "[ . 1 . 2]" 1
1789 1 88 LYS QD 1 89 GLU H . . 4.880 4.624 4.211 4.904 0.024 10 0 "[ . 1 . 2]" 1
1790 1 88 LYS QG 1 89 GLU H . . 5.030 3.368 2.119 4.254 . 0 0 "[ . 1 . 2]" 1
1791 1 89 GLU H 1 89 GLU QB . . 3.380 2.310 2.119 2.518 . 0 0 "[ . 1 . 2]" 1
1792 1 89 GLU H 1 89 GLU HG2 . . 4.520 3.250 2.128 4.556 0.036 4 0 "[ . 1 . 2]" 1
1793 1 89 GLU H 1 90 GLU H . . 4.120 2.963 2.783 3.220 . 0 0 "[ . 1 . 2]" 1
1794 1 89 GLU H 1 91 ARG H . . 5.980 4.428 4.128 4.752 . 0 0 "[ . 1 . 2]" 1
1795 1 89 GLU H 1 92 ALA H . . 6.500 4.913 4.650 5.356 . 0 0 "[ . 1 . 2]" 1
1796 1 89 GLU H 1 92 ALA MB . . 5.360 4.733 4.436 5.291 . 0 0 "[ . 1 . 2]" 1
1797 1 89 GLU HA 1 90 GLU H . . 4.730 3.592 3.508 3.666 . 0 0 "[ . 1 . 2]" 1
1798 1 89 GLU HA 1 91 ARG H . . 5.270 4.572 4.122 4.808 . 0 0 "[ . 1 . 2]" 1
1799 1 89 GLU HA 1 92 ALA H . . 4.210 3.565 3.145 4.069 . 0 0 "[ . 1 . 2]" 1
1800 1 89 GLU QB 1 90 GLU H . . 4.030 3.157 2.375 3.807 . 0 0 "[ . 1 . 2]" 1
1801 1 89 GLU QB 1 91 ARG H . . 5.850 5.132 4.741 5.480 . 0 0 "[ . 1 . 2]" 1
1802 1 89 GLU HG2 1 90 GLU H . . 4.900 2.948 2.106 4.609 . 0 0 "[ . 1 . 2]" 1
1803 1 89 GLU HG3 1 90 GLU H . . 5.170 3.450 2.339 4.791 . 0 0 "[ . 1 . 2]" 1
1804 1 90 GLU H 1 90 GLU HB2 . . 3.820 2.415 2.128 2.558 . 0 0 "[ . 1 . 2]" 1
1805 1 90 GLU H 1 90 GLU HB3 . . 4.030 3.609 3.524 3.650 . 0 0 "[ . 1 . 2]" 1
1806 1 90 GLU H 1 90 GLU HG2 . . 4.390 3.363 2.058 3.944 . 0 0 "[ . 1 . 2]" 1
1807 1 90 GLU H 1 91 ARG H . . 3.670 2.729 2.245 3.037 . 0 0 "[ . 1 . 2]" 1
1808 1 90 GLU H 1 91 ARG HA . . 5.950 5.371 4.950 5.612 . 0 0 "[ . 1 . 2]" 1
1809 1 90 GLU H 1 91 ARG HG3 . . 6.370 5.356 4.180 6.449 0.079 11 0 "[ . 1 . 2]" 1
1810 1 90 GLU H 1 92 ALA H . . 5.240 4.101 3.635 4.443 . 0 0 "[ . 1 . 2]" 1
1811 1 90 GLU H 1 92 ALA MB . . 6.500 4.833 4.506 5.171 . 0 0 "[ . 1 . 2]" 1
1812 1 90 GLU H 1 93 ASP H . . 6.360 5.036 4.703 5.570 . 0 0 "[ . 1 . 2]" 1
1813 1 90 GLU H 1 93 ASP QB . . 6.500 5.521 4.917 6.224 . 0 0 "[ . 1 . 2]" 1
1814 1 90 GLU HA 1 91 ARG H . . 5.540 3.594 3.557 3.622 . 0 0 "[ . 1 . 2]" 1
1815 1 90 GLU HB2 1 91 ARG H . . 3.910 2.589 2.380 3.022 . 0 0 "[ . 1 . 2]" 1
1816 1 90 GLU HB2 1 92 ALA H . . 4.810 4.915 4.832 5.040 0.230 7 0 "[ . 1 . 2]" 1
1817 1 90 GLU HG2 1 91 ARG H . . 5.450 4.931 4.223 5.158 . 0 0 "[ . 1 . 2]" 1
1818 1 90 GLU HG3 1 91 ARG H . . 4.950 4.484 4.307 4.798 . 0 0 "[ . 1 . 2]" 1
1819 1 90 GLU HG3 1 91 ARG HA . . 6.500 6.568 6.507 6.663 0.163 5 0 "[ . 1 . 2]" 1
1820 1 91 ARG H 1 91 ARG HB2 . . 3.810 2.630 2.185 3.687 . 0 0 "[ . 1 . 2]" 1
1821 1 91 ARG H 1 91 ARG HB3 . . 3.910 3.465 2.675 3.668 . 0 0 "[ . 1 . 2]" 1
1822 1 91 ARG H 1 91 ARG HD2 . . 6.300 4.213 2.405 5.034 . 0 0 "[ . 1 . 2]" 1
1823 1 91 ARG H 1 91 ARG HD3 . . 5.790 4.541 3.461 5.157 . 0 0 "[ . 1 . 2]" 1
1824 1 91 ARG H 1 91 ARG HG3 . . 4.480 3.014 2.041 4.182 . 0 0 "[ . 1 . 2]" 1
1825 1 91 ARG H 1 92 ALA H . . 3.980 2.672 2.539 2.790 . 0 0 "[ . 1 . 2]" 1
1826 1 91 ARG H 1 92 ALA MB . . 4.340 4.322 4.207 4.381 0.041 19 0 "[ . 1 . 2]" 1
1827 1 91 ARG H 1 93 ASP H . . 5.620 4.341 4.091 4.660 . 0 0 "[ . 1 . 2]" 1
1828 1 91 ARG H 1 93 ASP QB . . 6.500 5.438 5.078 5.815 . 0 0 "[ . 1 . 2]" 1
1829 1 91 ARG HA 1 92 ALA H . . 4.860 3.507 3.470 3.545 . 0 0 "[ . 1 . 2]" 1
1830 1 91 ARG HA 1 92 ALA MB . . 6.500 4.985 4.918 5.024 . 0 0 "[ . 1 . 2]" 1
1831 1 91 ARG HA 1 93 ASP H . . 6.230 4.328 3.920 4.717 . 0 0 "[ . 1 . 2]" 1
1832 1 91 ARG HA 1 94 LEU H . . 4.820 3.417 2.987 4.103 . 0 0 "[ . 1 . 2]" 1
1833 1 91 ARG HA 1 95 ILE H . . 5.390 3.772 3.378 4.051 . 0 0 "[ . 1 . 2]" 1
1834 1 91 ARG HB2 1 92 ALA H . . 3.950 3.034 2.437 4.001 0.051 12 0 "[ . 1 . 2]" 1
1835 1 91 ARG HB2 1 92 ALA HA . . 6.500 4.535 3.778 4.898 . 0 0 "[ . 1 . 2]" 1
1836 1 91 ARG HB2 1 92 ALA MB . . 5.650 4.180 3.223 5.154 . 0 0 "[ . 1 . 2]" 1
1837 1 91 ARG HB3 1 92 ALA H . . 4.330 3.729 3.364 4.237 . 0 0 "[ . 1 . 2]" 1
1838 1 91 ARG HB3 1 92 ALA HA . . 6.170 4.553 3.939 5.960 . 0 0 "[ . 1 . 2]" 1
1839 1 91 ARG HB3 1 92 ALA MB . . 5.980 4.742 4.447 5.668 . 0 0 "[ . 1 . 2]" 1
1840 1 91 ARG HG2 1 92 ALA H . . 5.300 4.695 2.927 5.378 0.078 13 0 "[ . 1 . 2]" 1
1841 1 91 ARG HG3 1 92 ALA H . . 5.760 4.423 2.844 5.164 . 0 0 "[ . 1 . 2]" 1
1842 1 92 ALA H 1 92 ALA MB . . 3.120 2.219 2.167 2.266 . 0 0 "[ . 1 . 2]" 1
1843 1 92 ALA H 1 93 ASP H . . 3.950 2.709 2.512 2.863 . 0 0 "[ . 1 . 2]" 1
1844 1 92 ALA H 1 93 ASP HA . . 5.470 5.404 5.260 5.512 0.042 11 0 "[ . 1 . 2]" 1
1845 1 92 ALA H 1 93 ASP QB . . 5.820 4.686 4.444 4.992 . 0 0 "[ . 1 . 2]" 1
1846 1 92 ALA H 1 94 LEU H . . 5.360 4.119 3.928 4.210 . 0 0 "[ . 1 . 2]" 1
1847 1 92 ALA H 1 94 LEU HB2 . . 5.350 5.173 5.028 5.362 0.012 20 0 "[ . 1 . 2]" 1
1848 1 92 ALA H 1 94 LEU HB3 . . 5.200 5.214 5.108 5.293 0.093 3 0 "[ . 1 . 2]" 1
1849 1 92 ALA H 1 95 ILE H . . 6.140 4.819 4.692 4.938 . 0 0 "[ . 1 . 2]" 1
1850 1 92 ALA HA 1 93 ASP H . . 4.380 3.562 3.475 3.612 . 0 0 "[ . 1 . 2]" 1
1851 1 92 ALA HA 1 93 ASP HA . . 5.180 4.749 4.615 4.860 . 0 0 "[ . 1 . 2]" 1
1852 1 92 ALA HA 1 93 ASP QB . . 6.500 5.448 5.365 5.499 . 0 0 "[ . 1 . 2]" 1
1853 1 92 ALA HA 1 95 ILE H . . 4.390 3.698 3.411 4.123 . 0 0 "[ . 1 . 2]" 1
1854 1 92 ALA HA 1 95 ILE MD . . 6.110 2.709 2.232 3.124 . 0 0 "[ . 1 . 2]" 1
1855 1 92 ALA MB 1 93 ASP H . . 3.570 2.830 2.496 3.111 . 0 0 "[ . 1 . 2]" 1
1856 1 92 ALA MB 1 93 ASP HA . . 6.370 4.192 4.042 4.362 . 0 0 "[ . 1 . 2]" 1
1857 1 92 ALA MB 1 93 ASP QB . . 6.060 4.434 3.990 4.633 . 0 0 "[ . 1 . 2]" 1
1858 1 92 ALA MB 1 95 ILE H . . 5.080 4.935 4.756 5.192 0.112 11 0 "[ . 1 . 2]" 1
1859 1 93 ASP H 1 93 ASP QB . . 3.430 2.334 2.211 2.443 . 0 0 "[ . 1 . 2]" 1
1860 1 93 ASP H 1 94 LEU HB2 . . 4.940 4.331 4.072 4.563 . 0 0 "[ . 1 . 2]" 1
1861 1 93 ASP H 1 94 LEU HB3 . . 4.950 4.859 4.548 4.986 0.036 6 0 "[ . 1 . 2]" 1
1862 1 93 ASP H 1 95 ILE H . . 4.340 4.284 4.053 4.390 0.050 1 0 "[ . 1 . 2]" 1
1863 1 93 ASP H 1 95 ILE HB . . 5.500 5.264 4.932 5.506 0.006 12 0 "[ . 1 . 2]" 1
1864 1 93 ASP HA 1 94 LEU H . . 4.330 3.585 3.569 3.607 . 0 0 "[ . 1 . 2]" 1
1865 1 93 ASP HA 1 95 ILE H . . 5.710 4.726 4.552 4.914 . 0 0 "[ . 1 . 2]" 1
1866 1 93 ASP QB 1 94 LEU H . . 3.580 2.621 2.449 2.817 . 0 0 "[ . 1 . 2]" 1
1867 1 93 ASP QB 1 94 LEU HB3 . . 6.500 5.128 4.939 5.304 . 0 0 "[ . 1 . 2]" 1
1868 1 93 ASP QB 1 94 LEU HG . . 6.500 5.427 5.073 5.715 . 0 0 "[ . 1 . 2]" 1
1869 1 93 ASP QB 1 95 ILE H . . 5.630 5.019 4.922 5.136 . 0 0 "[ . 1 . 2]" 1
1870 1 93 ASP QB 1 96 ALA H . . 5.920 4.799 4.572 4.905 . 0 0 "[ . 1 . 2]" 1
1871 1 94 LEU H 1 94 LEU HB2 . . 3.510 2.089 2.030 2.131 . 0 0 "[ . 1 . 2]" 1
1872 1 94 LEU H 1 94 LEU HB3 . . 3.580 2.814 2.727 2.910 . 0 0 "[ . 1 . 2]" 1
1873 1 94 LEU H 1 94 LEU QD . . 4.020 3.719 3.684 3.759 . 0 0 "[ . 1 . 2]" 1
1874 1 94 LEU H 1 94 LEU HG . . 4.170 4.068 3.912 4.174 0.004 19 0 "[ . 1 . 2]" 1
1875 1 94 LEU H 1 95 ILE H . . 3.990 2.994 2.924 3.087 . 0 0 "[ . 1 . 2]" 1
1876 1 94 LEU H 1 96 ALA H . . 5.040 4.162 4.056 4.234 . 0 0 "[ . 1 . 2]" 1
1877 1 94 LEU HA 1 95 ILE H . . 5.320 3.607 3.585 3.632 . 0 0 "[ . 1 . 2]" 1
1878 1 94 LEU HA 1 95 ILE HA . . 6.500 4.890 4.821 4.976 . 0 0 "[ . 1 . 2]" 1
1879 1 94 LEU HA 1 96 ALA H . . 4.420 4.307 4.147 4.419 . 0 0 "[ . 1 . 2]" 1
1880 1 94 LEU HB2 1 95 ILE H . . 3.930 3.521 3.433 3.617 . 0 0 "[ . 1 . 2]" 1
1881 1 94 LEU HB2 1 95 ILE HA . . 6.050 5.656 5.572 5.746 . 0 0 "[ . 1 . 2]" 1
1882 1 94 LEU HB2 1 95 ILE MD . . 6.500 5.490 5.267 5.764 . 0 0 "[ . 1 . 2]" 1
1883 1 94 LEU HB2 1 96 ALA H . . 5.420 5.489 5.460 5.524 0.104 6 0 "[ . 1 . 2]" 1
1884 1 94 LEU HB3 1 95 ILE H . . 4.000 2.356 2.281 2.445 . 0 0 "[ . 1 . 2]" 1
1885 1 94 LEU HB3 1 95 ILE HA . . 6.500 4.183 4.080 4.304 . 0 0 "[ . 1 . 2]" 1
1886 1 94 LEU HB3 1 95 ILE MD . . 5.740 4.315 4.135 4.552 . 0 0 "[ . 1 . 2]" 1
1887 1 94 LEU HB3 1 96 ALA H . . 5.730 4.870 4.794 4.955 . 0 0 "[ . 1 . 2]" 1
1888 1 94 LEU QD 1 97 TYR HB3 . . 6.500 3.451 3.211 3.698 . 0 0 "[ . 1 . 2]" 1
1889 1 94 LEU HG 1 95 ILE H . . 4.830 4.909 4.869 4.984 0.154 9 0 "[ . 1 . 2]" 1
1890 1 95 ILE H 1 95 ILE HB . . 3.330 2.381 2.289 2.494 . 0 0 "[ . 1 . 2]" 1
1891 1 95 ILE H 1 95 ILE MD . . 3.870 3.278 3.122 3.413 . 0 0 "[ . 1 . 2]" 1
1892 1 95 ILE H 1 95 ILE HG12 . . 3.610 3.690 3.618 3.736 0.126 9 0 "[ . 1 . 2]" 1
1893 1 95 ILE H 1 95 ILE HG13 . . 3.870 2.287 2.212 2.351 . 0 0 "[ . 1 . 2]" 1
1894 1 95 ILE H 1 95 ILE MG . . 4.070 3.758 3.721 3.794 . 0 0 "[ . 1 . 2]" 1
1895 1 95 ILE H 1 96 ALA H . . 3.880 2.828 2.760 2.887 . 0 0 "[ . 1 . 2]" 1
1896 1 95 ILE H 1 96 ALA HA . . 5.380 5.435 5.385 5.470 0.090 14 0 "[ . 1 . 2]" 1
1897 1 95 ILE H 1 96 ALA MB . . 4.620 4.525 4.461 4.577 . 0 0 "[ . 1 . 2]" 1
1898 1 95 ILE HA 1 96 ALA H . . 4.510 3.583 3.560 3.616 . 0 0 "[ . 1 . 2]" 1
1899 1 95 ILE HA 1 96 ALA HA . . 6.500 4.790 4.712 4.839 . 0 0 "[ . 1 . 2]" 1
1900 1 95 ILE HA 1 96 ALA MB . . 6.500 5.060 5.028 5.080 . 0 0 "[ . 1 . 2]" 1
1901 1 95 ILE HA 1 99 LYS H . . 5.090 3.975 3.697 4.200 . 0 0 "[ . 1 . 2]" 1
1902 1 95 ILE HB 1 96 ALA H . . 3.820 2.904 2.771 3.067 . 0 0 "[ . 1 . 2]" 1
1903 1 95 ILE HB 1 96 ALA MB . . 6.500 4.239 4.088 4.431 . 0 0 "[ . 1 . 2]" 1
1904 1 95 ILE MD 1 96 ALA H . . 5.310 4.714 4.492 4.870 . 0 0 "[ . 1 . 2]" 1
1905 1 95 ILE HG13 1 96 ALA H . . 4.930 4.616 4.534 4.678 . 0 0 "[ . 1 . 2]" 1
1906 1 95 ILE MG 1 96 ALA H . . 4.300 3.481 3.282 3.652 . 0 0 "[ . 1 . 2]" 1
1907 1 95 ILE MG 1 99 LYS H . . 5.180 4.008 3.683 4.239 . 0 0 "[ . 1 . 2]" 1
1908 1 96 ALA H 1 96 ALA MB . . 3.060 2.257 2.225 2.281 . 0 0 "[ . 1 . 2]" 1
1909 1 96 ALA H 1 97 TYR H . . 3.890 2.656 2.567 2.749 . 0 0 "[ . 1 . 2]" 1
1910 1 96 ALA H 1 97 TYR HB3 . . 5.810 4.619 4.497 4.800 . 0 0 "[ . 1 . 2]" 1
1911 1 96 ALA H 1 98 LEU H . . 4.930 4.157 3.972 4.355 . 0 0 "[ . 1 . 2]" 1
1912 1 96 ALA H 1 99 LYS H . . 5.410 4.786 4.690 4.857 . 0 0 "[ . 1 . 2]" 1
1913 1 96 ALA H 1 100 LYS H . . 6.500 6.220 6.002 6.522 0.022 17 0 "[ . 1 . 2]" 1
1914 1 96 ALA HA 1 97 TYR H . . 4.320 3.586 3.559 3.618 . 0 0 "[ . 1 . 2]" 1
1915 1 96 ALA HA 1 98 LEU H . . 5.270 4.633 4.392 4.787 . 0 0 "[ . 1 . 2]" 1
1916 1 96 ALA HA 1 99 LYS H . . 4.470 3.561 3.334 3.743 . 0 0 "[ . 1 . 2]" 1
1917 1 96 ALA MB 1 97 TYR H . . 3.550 2.426 2.324 2.566 . 0 0 "[ . 1 . 2]" 1
1918 1 96 ALA MB 1 97 TYR HA . . 6.050 3.887 3.841 3.943 . 0 0 "[ . 1 . 2]" 1
1919 1 96 ALA MB 1 97 TYR HB2 . . 6.500 4.135 4.004 4.263 . 0 0 "[ . 1 . 2]" 1
1920 1 96 ALA MB 1 97 TYR HB3 . . 6.500 4.403 4.204 4.645 . 0 0 "[ . 1 . 2]" 1
1921 1 96 ALA MB 1 97 TYR HD1 . . 5.500 5.648 5.607 5.686 0.186 13 0 "[ . 1 . 2]" 1
1922 1 96 ALA MB 1 99 LYS H . . 4.820 4.719 4.585 4.816 . 0 0 "[ . 1 . 2]" 1
1923 1 97 TYR H 1 97 TYR HB2 . . 3.530 2.686 2.601 2.766 . 0 0 "[ . 1 . 2]" 1
1924 1 97 TYR H 1 97 TYR HB3 . . 3.580 2.346 2.251 2.461 . 0 0 "[ . 1 . 2]" 1
1925 1 97 TYR H 1 97 TYR HD1 . . 4.990 4.660 4.618 4.699 . 0 0 "[ . 1 . 2]" 1
1926 1 97 TYR H 1 97 TYR HD2 . . 4.870 4.726 4.549 4.897 0.027 14 0 "[ . 1 . 2]" 1
1927 1 97 TYR H 1 98 LEU H . . 3.870 2.819 2.710 2.918 . 0 0 "[ . 1 . 2]" 1
1928 1 97 TYR H 1 98 LEU HA . . 5.760 5.417 5.343 5.493 . 0 0 "[ . 1 . 2]" 1
1929 1 97 TYR H 1 99 LYS H . . 4.640 4.356 4.216 4.449 . 0 0 "[ . 1 . 2]" 1
1930 1 97 TYR H 1 100 LYS H . . 6.110 4.870 4.718 5.080 . 0 0 "[ . 1 . 2]" 1
1931 1 97 TYR HA 1 97 TYR HD1 . . 4.140 2.184 2.068 2.305 . 0 0 "[ . 1 . 2]" 1
1932 1 97 TYR HA 1 97 TYR HD2 . . 5.070 4.756 4.703 4.788 . 0 0 "[ . 1 . 2]" 1
1933 1 97 TYR HA 1 97 TYR HE1 . . 6.500 4.662 4.533 4.762 . 0 0 "[ . 1 . 2]" 1
1934 1 97 TYR HA 1 98 LEU H . . 4.480 3.600 3.560 3.618 . 0 0 "[ . 1 . 2]" 1
1935 1 97 TYR HA 1 98 LEU HA . . 6.500 4.777 4.703 4.825 . 0 0 "[ . 1 . 2]" 1
1936 1 97 TYR HA 1 98 LEU MD2 . . 6.500 5.265 5.126 5.347 . 0 0 "[ . 1 . 2]" 1
1937 1 97 TYR HA 1 100 LYS H . . 4.790 3.468 3.342 3.580 . 0 0 "[ . 1 . 2]" 1
1938 1 97 TYR HB2 1 97 TYR HE1 . . 5.760 4.966 4.876 5.081 . 0 0 "[ . 1 . 2]" 1
1939 1 97 TYR HB2 1 98 LEU H . . 4.510 3.986 3.921 4.059 . 0 0 "[ . 1 . 2]" 1
1940 1 97 TYR HB2 1 98 LEU HA . . 6.500 5.687 5.614 5.763 . 0 0 "[ . 1 . 2]" 1
1941 1 97 TYR HB2 1 98 LEU MD2 . . 6.500 5.255 5.030 5.431 . 0 0 "[ . 1 . 2]" 1
1942 1 97 TYR HB2 1 98 LEU HG . . 6.500 5.507 5.291 5.745 . 0 0 "[ . 1 . 2]" 1
1943 1 97 TYR HB2 1 100 LYS H . . 6.500 5.686 5.551 5.791 . 0 0 "[ . 1 . 2]" 1
1944 1 97 TYR HB2 1 100 LYS HB2 . . 6.500 6.009 5.581 6.360 . 0 0 "[ . 1 . 2]" 1
1945 1 97 TYR HB2 1 101 ALA H . . 6.500 6.053 5.850 6.276 . 0 0 "[ . 1 . 2]" 1
1946 1 97 TYR HB3 1 98 LEU H . . 4.020 2.638 2.553 2.734 . 0 0 "[ . 1 . 2]" 1
1947 1 97 TYR HB3 1 98 LEU HA . . 6.500 4.606 4.512 4.700 . 0 0 "[ . 1 . 2]" 1
1948 1 97 TYR HB3 1 98 LEU HB2 . . 6.170 4.991 4.874 5.138 . 0 0 "[ . 1 . 2]" 1
1949 1 97 TYR HB3 1 98 LEU MD1 . . 6.500 5.210 4.996 5.431 . 0 0 "[ . 1 . 2]" 1
1950 1 97 TYR HB3 1 98 LEU MD2 . . 6.500 4.035 3.708 4.252 . 0 0 "[ . 1 . 2]" 1
1951 1 97 TYR HB3 1 98 LEU HG . . 6.500 3.803 3.612 4.040 . 0 0 "[ . 1 . 2]" 1
1952 1 97 TYR HB3 1 99 LYS H . . 6.500 5.258 5.078 5.451 . 0 0 "[ . 1 . 2]" 1
1953 1 97 TYR HB3 1 100 LYS H . . 6.500 5.601 5.475 5.766 . 0 0 "[ . 1 . 2]" 1
1954 1 97 TYR HB3 1 101 ALA H . . 6.500 5.914 5.755 6.093 . 0 0 "[ . 1 . 2]" 1
1955 1 97 TYR HD1 1 98 LEU H . . 5.040 4.723 4.670 4.824 . 0 0 "[ . 1 . 2]" 1
1956 1 97 TYR HD1 1 98 LEU MD2 . . 5.040 5.066 4.987 5.143 0.103 14 0 "[ . 1 . 2]" 1
1957 1 97 TYR HD1 1 99 LYS H . . 6.060 6.072 5.876 6.157 0.097 18 0 "[ . 1 . 2]" 1
1958 1 97 TYR HD2 1 98 LEU H . . 4.710 4.090 3.540 4.591 . 0 0 "[ . 1 . 2]" 1
1959 1 97 TYR HD2 1 98 LEU HA . . 6.500 4.905 4.398 5.483 . 0 0 "[ . 1 . 2]" 1
1960 1 97 TYR HD2 1 98 LEU MD2 . . 5.130 3.400 2.919 4.078 . 0 0 "[ . 1 . 2]" 1
1961 1 97 TYR HD2 1 98 LEU HG . . 6.500 4.003 3.312 4.924 . 0 0 "[ . 1 . 2]" 1
1962 1 97 TYR HE2 1 101 ALA MB . . 5.220 4.643 4.294 5.174 . 0 0 "[ . 1 . 2]" 1
1963 1 98 LEU H 1 98 LEU HB2 . . 3.630 2.461 2.395 2.557 . 0 0 "[ . 1 . 2]" 1
1964 1 98 LEU H 1 98 LEU HB3 . . 3.930 3.591 3.555 3.630 . 0 0 "[ . 1 . 2]" 1
1965 1 98 LEU H 1 98 LEU MD1 . . 3.980 3.782 3.660 3.903 . 0 0 "[ . 1 . 2]" 1
1966 1 98 LEU H 1 98 LEU MD2 . . 4.350 3.206 2.942 3.418 . 0 0 "[ . 1 . 2]" 1
1967 1 98 LEU H 1 98 LEU HG . . 3.440 2.397 2.284 2.542 . 0 0 "[ . 1 . 2]" 1
1968 1 98 LEU H 1 100 LYS H . . 5.130 4.208 4.097 4.318 . 0 0 "[ . 1 . 2]" 1
1969 1 98 LEU H 1 101 ALA H . . 5.850 4.805 4.606 5.056 . 0 0 "[ . 1 . 2]" 1
1970 1 98 LEU H 1 101 ALA MB . . 5.400 4.764 4.461 5.189 . 0 0 "[ . 1 . 2]" 1
1971 1 98 LEU H 1 102 THR H . . 6.500 5.822 5.350 6.156 . 0 0 "[ . 1 . 2]" 1
1972 1 98 LEU HA 1 98 LEU MD2 . . 4.790 2.077 2.034 2.127 . 0 0 "[ . 1 . 2]" 1
1973 1 98 LEU HA 1 99 LYS H . . 5.010 3.604 3.565 3.646 . 0 0 "[ . 1 . 2]" 1
1974 1 98 LEU HA 1 99 LYS HA . . 6.500 4.811 4.732 4.888 . 0 0 "[ . 1 . 2]" 1
1975 1 98 LEU HA 1 100 LYS H . . 5.500 4.192 3.907 4.519 . 0 0 "[ . 1 . 2]" 1
1976 1 98 LEU HA 1 101 ALA H . . 4.550 3.341 3.010 3.755 . 0 0 "[ . 1 . 2]" 1
1977 1 98 LEU HA 1 101 ALA MB . . 5.430 2.903 2.618 3.402 . 0 0 "[ . 1 . 2]" 1
1978 1 98 LEU HA 1 102 THR H . . 4.630 3.442 2.732 4.060 . 0 0 "[ . 1 . 2]" 1
1979 1 98 LEU HA 1 102 THR MG . . 5.570 2.649 2.258 3.136 . 0 0 "[ . 1 . 2]" 1
1980 1 98 LEU HA 1 103 ASN H . . 6.500 5.760 5.212 6.231 . 0 0 "[ . 1 . 2]" 1
1981 1 98 LEU HB2 1 99 LYS H . . 4.160 2.733 2.517 2.888 . 0 0 "[ . 1 . 2]" 1
1982 1 98 LEU HB2 1 99 LYS HA . . 6.500 4.634 4.432 4.775 . 0 0 "[ . 1 . 2]" 1
1983 1 98 LEU HB2 1 99 LYS HB3 . . 6.500 6.062 5.828 6.254 . 0 0 "[ . 1 . 2]" 1
1984 1 98 LEU HB2 1 99 LYS HD2 . . 6.500 5.651 5.250 5.841 . 0 0 "[ . 1 . 2]" 1
1985 1 98 LEU HB2 1 100 LYS H . . 5.970 5.075 4.961 5.187 . 0 0 "[ . 1 . 2]" 1
1986 1 98 LEU HB3 1 99 LYS H . . 4.180 3.579 3.382 3.765 . 0 0 "[ . 1 . 2]" 1
1987 1 98 LEU HB3 1 99 LYS HA . . 6.500 4.469 4.319 4.712 . 0 0 "[ . 1 . 2]" 1
1988 1 98 LEU HB3 1 99 LYS QE . . 6.190 6.235 6.041 6.298 0.108 11 0 "[ . 1 . 2]" 1
1989 1 98 LEU HB3 1 100 LYS H . . 5.350 5.447 5.259 5.532 0.182 9 0 "[ . 1 . 2]" 1
1990 1 98 LEU HB3 1 101 ALA H . . 6.130 5.316 5.061 5.593 . 0 0 "[ . 1 . 2]" 1
1991 1 98 LEU HB3 1 102 THR H . . 5.780 4.612 3.935 5.139 . 0 0 "[ . 1 . 2]" 1
1992 1 98 LEU MD1 1 99 LYS H . . 5.160 4.713 4.576 4.815 . 0 0 "[ . 1 . 2]" 1
1993 1 98 LEU MD2 1 99 LYS H . . 5.800 4.736 4.626 4.819 . 0 0 "[ . 1 . 2]" 1
1994 1 98 LEU HG 1 99 LYS H . . 5.330 4.591 4.407 4.735 . 0 0 "[ . 1 . 2]" 1
1995 1 98 LEU HG 1 102 THR MG . . 6.380 4.745 4.124 5.494 . 0 0 "[ . 1 . 2]" 1
1996 1 99 LYS H 1 99 LYS HB2 . . 3.640 2.304 2.209 2.412 . 0 0 "[ . 1 . 2]" 1
1997 1 99 LYS H 1 99 LYS HD2 . . 3.920 3.921 3.729 4.039 0.119 1 0 "[ . 1 . 2]" 1
1998 1 99 LYS H 1 99 LYS HD3 . . 6.500 4.722 4.418 4.833 . 0 0 "[ . 1 . 2]" 1
1999 1 99 LYS H 1 99 LYS QE . . 6.500 4.699 4.502 4.945 . 0 0 "[ . 1 . 2]" 1
2000 1 99 LYS H 1 99 LYS HG2 . . 5.190 3.764 3.635 3.899 . 0 0 "[ . 1 . 2]" 1
2001 1 99 LYS H 1 99 LYS HG3 . . 5.050 2.551 2.439 2.688 . 0 0 "[ . 1 . 2]" 1
2002 1 99 LYS H 1 100 LYS H . . 4.080 2.747 2.641 2.844 . 0 0 "[ . 1 . 2]" 1
2003 1 99 LYS H 1 100 LYS HB3 . . 5.450 5.193 4.977 5.457 0.007 5 0 "[ . 1 . 2]" 1
2004 1 99 LYS H 1 101 ALA H . . 5.610 4.291 4.138 4.491 . 0 0 "[ . 1 . 2]" 1
2005 1 99 LYS H 1 102 THR H . . 6.500 4.901 4.763 4.972 . 0 0 "[ . 1 . 2]" 1
2006 1 99 LYS H 1 103 ASN H . . 6.120 6.138 5.896 6.263 0.143 1 0 "[ . 1 . 2]" 1
2007 1 99 LYS HA 1 100 LYS H . . 4.750 3.537 3.459 3.587 . 0 0 "[ . 1 . 2]" 1
2008 1 99 LYS HA 1 101 ALA H . . 6.500 4.502 4.326 4.669 . 0 0 "[ . 1 . 2]" 1
2009 1 99 LYS HA 1 102 THR H . . 5.930 4.000 3.674 4.303 . 0 0 "[ . 1 . 2]" 1
2010 1 99 LYS HA 1 103 ASN H . . 6.430 4.115 3.749 4.661 . 0 0 "[ . 1 . 2]" 1
2011 1 99 LYS HA 1 103 ASN HD22 . . 5.370 2.812 2.342 3.440 . 0 0 "[ . 1 . 2]" 1
2012 1 99 LYS HB2 1 100 LYS H . . 3.690 2.909 2.419 3.262 . 0 0 "[ . 1 . 2]" 1
2013 1 99 LYS HB2 1 101 ALA H . . 5.240 5.235 5.001 5.351 0.111 20 0 "[ . 1 . 2]" 1
2014 1 99 LYS HB3 1 100 LYS H . . 4.580 3.631 3.265 3.886 . 0 0 "[ . 1 . 2]" 1
2015 1 99 LYS HB3 1 101 ALA H . . 6.080 5.635 5.398 5.857 . 0 0 "[ . 1 . 2]" 1
2016 1 99 LYS HB3 1 103 ASN H . . 6.500 5.798 4.890 6.506 0.006 10 0 "[ . 1 . 2]" 1
2017 1 99 LYS HG2 1 100 LYS H . . 5.490 5.153 4.935 5.262 . 0 0 "[ . 1 . 2]" 1
2018 1 99 LYS HG2 1 103 ASN HD21 . . 6.270 3.858 3.202 4.538 . 0 0 "[ . 1 . 2]" 1
2019 1 99 LYS HG2 1 103 ASN HD22 . . 6.170 2.947 2.240 4.169 . 0 0 "[ . 1 . 2]" 1
2020 1 99 LYS HG3 1 100 LYS H . . 5.800 4.693 4.432 4.845 . 0 0 "[ . 1 . 2]" 1
2021 1 99 LYS HG3 1 102 THR H . . 6.500 6.363 6.168 6.536 0.036 4 0 "[ . 1 . 2]" 1
2022 1 99 LYS HG3 1 103 ASN HD21 . . 6.500 5.205 4.513 5.995 . 0 0 "[ . 1 . 2]" 1
2023 1 99 LYS HG3 1 103 ASN HD22 . . 5.990 4.474 3.758 5.290 . 0 0 "[ . 1 . 2]" 1
2024 1 100 LYS H 1 100 LYS HB2 . . 3.710 2.628 2.429 2.855 . 0 0 "[ . 1 . 2]" 1
2025 1 100 LYS H 1 100 LYS HB3 . . 3.800 2.634 2.471 2.779 . 0 0 "[ . 1 . 2]" 1
2026 1 100 LYS H 1 100 LYS QD . . 5.670 4.326 4.077 4.568 . 0 0 "[ . 1 . 2]" 1
2027 1 100 LYS H 1 100 LYS QE . . 6.500 5.741 3.997 6.156 . 0 0 "[ . 1 . 2]" 1
2028 1 100 LYS H 1 100 LYS HG3 . . 4.820 4.548 4.439 4.616 . 0 0 "[ . 1 . 2]" 1
2029 1 100 LYS H 1 101 ALA H . . 3.620 2.537 2.247 2.792 . 0 0 "[ . 1 . 2]" 1
2030 1 100 LYS H 1 101 ALA HA . . 5.520 5.223 4.999 5.433 . 0 0 "[ . 1 . 2]" 1
2031 1 100 LYS H 1 101 ALA MB . . 4.710 4.192 3.863 4.446 . 0 0 "[ . 1 . 2]" 1
2032 1 100 LYS H 1 102 THR H . . 5.180 4.199 3.912 4.431 . 0 0 "[ . 1 . 2]" 1
2033 1 100 LYS H 1 103 ASN H . . 5.710 5.135 4.801 5.369 . 0 0 "[ . 1 . 2]" 1
2034 1 100 LYS H 1 103 ASN HB2 . . 6.490 5.559 5.003 5.786 . 0 0 "[ . 1 . 2]" 1
2035 1 100 LYS HA 1 101 ALA H . . 4.470 3.539 3.439 3.598 . 0 0 "[ . 1 . 2]" 1
2036 1 100 LYS HA 1 101 ALA MB . . 6.500 4.901 4.792 4.980 . 0 0 "[ . 1 . 2]" 1
2037 1 100 LYS HA 1 102 THR H . . 5.730 4.805 4.308 5.242 . 0 0 "[ . 1 . 2]" 1
2038 1 100 LYS HA 1 103 ASN H . . 5.130 4.443 3.892 4.939 . 0 0 "[ . 1 . 2]" 1
2039 1 100 LYS HA 1 103 ASN HD21 . . 6.500 4.536 4.023 5.497 . 0 0 "[ . 1 . 2]" 1
2040 1 100 LYS HA 1 103 ASN HD22 . . 5.740 5.813 5.679 5.938 0.198 17 0 "[ . 1 . 2]" 1
2041 1 100 LYS HA 1 104 GLU H . . 6.170 5.880 5.348 6.228 0.058 7 0 "[ . 1 . 2]" 1
2042 1 100 LYS HB2 1 101 ALA H . . 6.070 4.018 3.857 4.171 . 0 0 "[ . 1 . 2]" 1
2043 1 100 LYS HB2 1 101 ALA HA . . 6.500 5.705 5.534 5.891 . 0 0 "[ . 1 . 2]" 1
2044 1 100 LYS HB2 1 101 ALA MB . . 6.500 5.022 4.769 5.331 . 0 0 "[ . 1 . 2]" 1
2045 1 100 LYS HB2 1 102 THR H . . 6.450 6.135 5.841 6.483 0.033 7 0 "[ . 1 . 2]" 1
2046 1 100 LYS HB3 1 101 ALA H . . 3.700 2.864 2.676 3.127 . 0 0 "[ . 1 . 2]" 1
2047 1 100 LYS HB3 1 101 ALA HA . . 6.500 4.368 4.108 4.610 . 0 0 "[ . 1 . 2]" 1
2048 1 100 LYS HB3 1 101 ALA MB . . 6.500 3.603 3.374 4.009 . 0 0 "[ . 1 . 2]" 1
2049 1 100 LYS HB3 1 102 THR H . . 6.320 5.269 5.078 5.479 . 0 0 "[ . 1 . 2]" 1
2050 1 100 LYS QE 1 101 ALA H . . 6.500 5.948 5.468 6.435 . 0 0 "[ . 1 . 2]" 1
2051 1 100 LYS HG3 1 101 ALA H . . 5.050 4.141 3.811 4.535 . 0 0 "[ . 1 . 2]" 1
2052 1 100 LYS HG3 1 101 ALA HA . . 6.340 3.981 3.511 4.474 . 0 0 "[ . 1 . 2]" 1
2053 1 101 ALA H 1 101 ALA MB . . 3.180 2.238 2.170 2.288 . 0 0 "[ . 1 . 2]" 1
2054 1 101 ALA H 1 102 THR H . . 3.930 2.502 2.345 2.603 . 0 0 "[ . 1 . 2]" 1
2055 1 101 ALA H 1 102 THR HA . . 5.050 5.159 5.082 5.206 0.156 19 0 "[ . 1 . 2]" 1
2056 1 101 ALA H 1 102 THR MG . . 3.990 3.962 3.754 4.049 0.059 10 0 "[ . 1 . 2]" 1
2057 1 101 ALA H 1 103 ASN H . . 5.190 4.068 3.690 4.280 . 0 0 "[ . 1 . 2]" 1
2058 1 101 ALA H 1 103 ASN HB2 . . 6.500 5.444 4.998 5.826 . 0 0 "[ . 1 . 2]" 1
2059 1 101 ALA H 1 104 GLU H . . 6.500 5.673 5.132 5.998 . 0 0 "[ . 1 . 2]" 1
2060 1 101 ALA H 1 104 GLU QG . . 5.810 4.944 4.389 5.801 . 0 0 "[ . 1 . 2]" 1
2061 1 101 ALA HA 1 102 THR H . . 4.480 3.549 3.412 3.620 . 0 0 "[ . 1 . 2]" 1
2062 1 101 ALA HA 1 102 THR MG . . 6.500 4.753 4.376 5.100 . 0 0 "[ . 1 . 2]" 1
2063 1 101 ALA HA 1 103 ASN H . . 4.600 4.297 3.694 4.644 0.044 2 0 "[ . 1 . 2]" 1
2064 1 101 ALA HA 1 104 GLU H . . 4.800 4.344 3.264 4.871 0.071 9 0 "[ . 1 . 2]" 1
2065 1 101 ALA MB 1 102 THR H . . 3.850 2.844 2.506 3.287 . 0 0 "[ . 1 . 2]" 1
2066 1 101 ALA MB 1 102 THR HA . . 6.500 3.997 3.699 4.269 . 0 0 "[ . 1 . 2]" 1
2067 1 101 ALA MB 1 102 THR HB . . 6.500 5.243 4.864 5.500 . 0 0 "[ . 1 . 2]" 1
2068 1 101 ALA MB 1 102 THR MG . . 5.550 2.955 2.490 3.328 . 0 0 "[ . 1 . 2]" 1
2069 1 101 ALA MB 1 103 ASN H . . 5.130 4.593 4.259 4.844 . 0 0 "[ . 1 . 2]" 1
2070 1 101 ALA MB 1 104 GLU H . . 5.940 5.156 4.456 5.693 . 0 0 "[ . 1 . 2]" 1
2071 1 102 THR H 1 102 THR MG . . 3.520 2.433 2.186 2.814 . 0 0 "[ . 1 . 2]" 1
2072 1 102 THR H 1 103 ASN H . . 3.800 2.464 2.157 2.710 . 0 0 "[ . 1 . 2]" 1
2073 1 102 THR H 1 103 ASN HB2 . . 6.390 4.604 4.308 4.865 . 0 0 "[ . 1 . 2]" 1
2074 1 102 THR H 1 103 ASN HB3 . . 6.150 5.978 5.705 6.224 0.074 8 0 "[ . 1 . 2]" 1
2075 1 102 THR H 1 104 GLU H . . 5.170 4.293 4.080 4.513 . 0 0 "[ . 1 . 2]" 1
2076 1 102 THR HA 1 103 ASN H . . 5.260 3.403 3.287 3.517 . 0 0 "[ . 1 . 2]" 1
2077 1 102 THR MG 1 103 ASN H . . 4.910 4.171 4.017 4.320 . 0 0 "[ . 1 . 2]" 1
2078 1 102 THR MG 1 103 ASN HA . . 5.640 5.627 5.442 5.687 0.047 15 0 "[ . 1 . 2]" 1
2079 1 102 THR MG 1 104 GLU H . . 6.500 5.262 5.089 5.424 . 0 0 "[ . 1 . 2]" 1
2080 1 102 THR MG 1 104 GLU HB2 . . 6.500 6.148 5.222 6.557 0.057 13 0 "[ . 1 . 2]" 1
2081 1 103 ASN H 1 103 ASN HB2 . . 3.960 2.440 2.295 2.612 . 0 0 "[ . 1 . 2]" 1
2082 1 103 ASN H 1 103 ASN HB3 . . 3.720 3.634 3.550 3.741 0.021 15 0 "[ . 1 . 2]" 1
2083 1 103 ASN H 1 103 ASN HD22 . . 5.770 4.523 4.045 5.094 . 0 0 "[ . 1 . 2]" 1
2084 1 103 ASN H 1 104 GLU H . . 3.470 2.636 2.369 2.830 . 0 0 "[ . 1 . 2]" 1
2085 1 103 ASN H 1 104 GLU HA . . 4.970 4.797 3.968 5.042 0.072 4 0 "[ . 1 . 2]" 1
2086 1 103 ASN H 1 104 GLU HB2 . . 5.880 4.614 3.490 5.184 . 0 0 "[ . 1 . 2]" 1
2087 1 103 ASN H 1 104 GLU HB3 . . 6.140 5.848 4.907 6.173 0.033 5 0 "[ . 1 . 2]" 1
2088 1 103 ASN H 1 104 GLU QG . . 5.020 3.888 3.230 5.062 0.042 1 0 "[ . 1 . 2]" 1
2089 1 103 ASN HA 1 104 GLU H . . 6.180 3.235 3.002 3.415 . 0 0 "[ . 1 . 2]" 1
2090 1 103 ASN HA 1 104 GLU HA . . 6.500 4.794 4.654 4.906 . 0 0 "[ . 1 . 2]" 1
2091 1 103 ASN HB2 1 103 ASN HD22 . . 4.200 3.570 3.492 3.748 . 0 0 "[ . 1 . 2]" 1
2092 1 103 ASN HB2 1 104 GLU H . . 4.820 3.798 3.342 4.171 . 0 0 "[ . 1 . 2]" 1
2093 1 103 ASN HB3 1 103 ASN HD22 . . 4.130 3.768 3.551 3.968 . 0 0 "[ . 1 . 2]" 1
2094 1 103 ASN HB3 1 104 GLU H . . 4.940 4.375 4.197 4.559 . 0 0 "[ . 1 . 2]" 1
2095 1 104 GLU H 1 104 GLU HB2 . . 3.880 2.391 2.090 2.640 . 0 0 "[ . 1 . 2]" 1
2096 1 104 GLU H 1 104 GLU HB3 . . 3.850 3.479 2.625 3.763 . 0 0 "[ . 1 . 2]" 1
2097 1 104 GLU H 1 104 GLU QG . . 3.960 2.681 1.970 3.894 . 0 0 "[ . 1 . 2]" 1
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