data_nef_c15351_2js2 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 MET middle . . 4 A 4 ALA middle . . 5 A 5 GLU middle . . 6 A 6 GLU middle . . 7 A 7 VAL middle . . 8 A 8 VAL middle . . 9 A 9 VAL middle . . 10 A 10 VAL middle . . 11 A 11 ALA middle . . 12 A 12 LYS middle . . 13 A 13 PHE middle . . 14 A 14 ASP middle . . 15 A 15 TYR middle . . 16 A 16 VAL middle . . 17 A 17 ALA middle . . 18 A 18 GLN middle . . 19 A 19 GLN middle . . 20 A 20 GLU middle . . 21 A 21 GLN middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 ASP middle . . 25 A 25 ILE middle . . 26 A 26 LYS middle . . 27 A 27 LYS middle . . 28 A 28 ASN middle . . 29 A 29 GLU middle . . 30 A 30 ARG middle . . 31 A 31 LEU middle . . 32 A 32 TRP middle . . 33 A 33 LEU middle . . 34 A 34 LEU middle . . 35 A 35 ASP middle . . 36 A 36 ASP middle . . 37 A 37 SER middle . . 38 A 38 LYS middle . . 39 A 39 SER middle . . 40 A 40 TRP middle . . 41 A 41 TRP middle . . 42 A 42 ARG middle . . 43 A 43 VAL middle . . 44 A 44 ARG middle . . 45 A 45 ASN middle . . 46 A 46 SER middle . . 47 A 47 MET middle . . 48 A 48 ASN middle . . 49 A 49 LYS middle . . 50 A 50 THR middle . . 51 A 51 GLY middle . false 52 A 52 PHE middle . . 53 A 53 VAL middle . . 54 A 54 PRO middle . false 55 A 55 SER middle . . 56 A 56 ASN middle . . 57 A 57 TYR middle . . 58 A 58 VAL middle . . 59 A 59 GLU middle . . 60 A 60 ARG middle . . 61 A 61 LYS middle . . 62 A 62 ASN middle . . 63 A 63 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.506 0.020 A 2 SER HBx H 1 3.867 0.020 A 2 SER HBy H 1 3.867 0.020 A 2 SER C C 13 174.490 0.400 A 2 SER CA C 13 58.350 0.400 A 2 SER CB C 13 64.014 0.400 A 3 MET H H 1 8.445 0.020 A 3 MET HA H 1 4.483 0.020 A 3 MET HBy H 1 2.104 0.020 A 3 MET HBx H 1 2.000 0.020 A 3 MET HGy H 1 2.586 0.020 A 3 MET HGx H 1 2.535 0.020 A 3 MET C C 13 175.818 0.400 A 3 MET CA C 13 55.608 0.400 A 3 MET CB C 13 32.991 0.400 A 3 MET CG C 13 32.118 0.400 A 3 MET N N 15 122.226 0.400 A 4 ALA H H 1 8.261 0.020 A 4 ALA HA H 1 4.303 0.020 A 4 ALA HB% H 1 1.369 0.020 A 4 ALA C C 13 177.318 0.400 A 4 ALA CA C 13 52.656 0.400 A 4 ALA CB C 13 19.138 0.400 A 4 ALA N N 15 124.992 0.400 A 5 GLU H H 1 8.123 0.020 A 5 GLU HA H 1 4.296 0.020 A 5 GLU HBy H 1 2.032 0.020 A 5 GLU HBx H 1 1.926 0.020 A 5 GLU HGx H 1 2.240 0.020 A 5 GLU HGy H 1 2.240 0.020 A 5 GLU C C 13 176.094 0.400 A 5 GLU CA C 13 56.284 0.400 A 5 GLU CB C 13 30.640 0.400 A 5 GLU CG C 13 36.344 0.400 A 5 GLU N N 15 119.435 0.400 A 6 GLU H H 1 8.352 0.020 A 6 GLU HA H 1 4.438 0.020 A 6 GLU HBy H 1 2.090 0.020 A 6 GLU HBx H 1 2.022 0.020 A 6 GLU HGx H 1 2.242 0.020 A 6 GLU HGy H 1 2.242 0.020 A 6 GLU C C 13 175.915 0.400 A 6 GLU CA C 13 56.477 0.400 A 6 GLU CB C 13 30.861 0.400 A 6 GLU CG C 13 36.528 0.400 A 6 GLU N N 15 122.079 0.400 A 7 VAL H H 1 8.389 0.020 A 7 VAL HA H 1 4.197 0.020 A 7 VAL HB H 1 2.073 0.020 A 7 VAL HGx% H 1 0.938 0.020 A 7 VAL HGy% H 1 0.867 0.020 A 7 VAL C C 13 174.610 0.400 A 7 VAL CA C 13 62.313 0.400 A 7 VAL CB C 13 33.693 0.400 A 7 VAL CG1 C 13 21.357 0.400 A 7 VAL CG2 C 13 21.888 0.400 A 7 VAL N N 15 123.069 0.400 A 8 VAL H H 1 8.300 0.020 A 8 VAL HA H 1 4.419 0.020 A 8 VAL HB H 1 1.769 0.020 A 8 VAL HG1% H 1 0.586 0.020 A 8 VAL HG2% H 1 0.604 0.020 A 8 VAL C C 13 176.218 0.400 A 8 VAL CA C 13 61.982 0.400 A 8 VAL CB C 13 32.984 0.400 A 8 VAL CG1 C 13 21.192 0.400 A 8 VAL CG2 C 13 21.827 0.400 A 8 VAL N N 15 126.878 0.400 A 9 VAL H H 1 8.847 0.020 A 9 VAL HA H 1 4.983 0.020 A 9 VAL HB H 1 1.989 0.020 A 9 VAL HG1% H 1 0.918 0.020 A 9 VAL HG2% H 1 0.708 0.020 A 9 VAL C C 13 173.424 0.400 A 9 VAL CA C 13 58.271 0.400 A 9 VAL CB C 13 35.366 0.400 A 9 VAL CG1 C 13 23.306 0.400 A 9 VAL CG2 C 13 19.740 0.400 A 9 VAL N N 15 119.355 0.400 A 10 VAL H H 1 8.572 0.020 A 10 VAL HA H 1 5.010 0.020 A 10 VAL HB H 1 1.735 0.020 A 10 VAL HGx% H 1 0.770 0.020 A 10 VAL HGy% H 1 0.770 0.020 A 10 VAL C C 13 176.616 0.400 A 10 VAL CA C 13 59.701 0.400 A 10 VAL CB C 13 35.271 0.400 A 10 VAL CG1 C 13 21.190 0.400 A 10 VAL CG2 C 13 21.188 0.400 A 10 VAL N N 15 118.586 0.400 A 11 ALA H H 1 8.717 0.020 A 11 ALA HA H 1 4.575 0.020 A 11 ALA HB% H 1 1.591 0.020 A 11 ALA C C 13 178.451 0.400 A 11 ALA CA C 13 52.742 0.400 A 11 ALA CB C 13 19.987 0.400 A 11 ALA N N 15 128.321 0.400 A 12 LYS H H 1 9.322 0.020 A 12 LYS HA H 1 3.870 0.020 A 12 LYS HBy H 1 0.896 0.020 A 12 LYS HBx H 1 0.798 0.020 A 12 LYS HDy H 1 1.345 0.020 A 12 LYS HDx H 1 1.293 0.020 A 12 LYS HEx H 1 2.570 0.020 A 12 LYS HEy H 1 2.570 0.020 A 12 LYS HGx H 1 0.970 0.020 A 12 LYS HGy H 1 0.970 0.020 A 12 LYS C C 13 174.646 0.400 A 12 LYS CA C 13 57.358 0.400 A 12 LYS CB C 13 33.957 0.400 A 12 LYS CD C 13 29.050 0.400 A 12 LYS CE C 13 41.398 0.400 A 12 LYS CG C 13 29.433 0.400 A 12 LYS N N 15 126.342 0.400 A 13 PHE H H 1 7.136 0.020 A 13 PHE HA H 1 4.783 0.020 A 13 PHE HB2 H 1 2.506 0.020 A 13 PHE HB3 H 1 3.347 0.020 A 13 PHE HD1 H 1 6.768 0.020 A 13 PHE HD2 H 1 6.768 0.020 A 13 PHE HE1 H 1 7.078 0.020 A 13 PHE HE2 H 1 7.078 0.020 A 13 PHE HZ H 1 6.948 0.020 A 13 PHE C C 13 173.489 0.400 A 13 PHE CA C 13 53.769 0.400 A 13 PHE CB C 13 43.743 0.400 A 13 PHE CD1 C 13 132.670 0.400 A 13 PHE CD2 C 13 132.671 0.400 A 13 PHE CE1 C 13 130.880 0.400 A 13 PHE CE2 C 13 130.881 0.400 A 13 PHE CZ C 13 132.230 0.400 A 13 PHE N N 15 111.722 0.400 A 14 ASP H H 1 8.261 0.020 A 14 ASP HA H 1 4.808 0.020 A 14 ASP HB2 H 1 2.621 0.020 A 14 ASP HB3 H 1 2.757 0.020 A 14 ASP C C 13 176.270 0.400 A 14 ASP CA C 13 54.655 0.400 A 14 ASP CB C 13 41.629 0.400 A 14 ASP N N 15 117.174 0.400 A 15 TYR H H 1 8.835 0.020 A 15 TYR HA H 1 4.728 0.020 A 15 TYR HBy H 1 2.950 0.020 A 15 TYR HBx H 1 2.910 0.020 A 15 TYR HD1 H 1 7.080 0.020 A 15 TYR HD2 H 1 7.080 0.020 A 15 TYR HE1 H 1 6.880 0.020 A 15 TYR HE2 H 1 6.880 0.020 A 15 TYR C C 13 173.640 0.400 A 15 TYR CA C 13 59.438 0.400 A 15 TYR CB C 13 41.606 0.400 A 15 TYR CD1 C 13 132.850 0.400 A 15 TYR CD2 C 13 132.851 0.400 A 15 TYR CE1 C 13 117.670 0.400 A 15 TYR CE2 C 13 117.671 0.400 A 15 TYR N N 15 121.041 0.400 A 16 VAL H H 1 7.101 0.020 A 16 VAL HA H 1 4.160 0.020 A 16 VAL HB H 1 1.605 0.020 A 16 VAL HG1% H 1 0.802 0.020 A 16 VAL HG2% H 1 0.848 0.020 A 16 VAL C C 13 174.430 0.400 A 16 VAL CA C 13 60.679 0.400 A 16 VAL CB C 13 32.472 0.400 A 16 VAL CG1 C 13 20.740 0.400 A 16 VAL CG2 C 13 20.735 0.400 A 16 VAL N N 15 129.116 0.400 A 17 ALA H H 1 8.625 0.020 A 17 ALA HA H 1 4.204 0.020 A 17 ALA HB% H 1 1.290 0.020 A 17 ALA C C 13 178.947 0.400 A 17 ALA CA C 13 53.276 0.400 A 17 ALA CB C 13 19.878 0.400 A 17 ALA N N 15 128.849 0.400 A 18 GLN H H 1 9.036 0.020 A 18 GLN HA H 1 4.310 0.020 A 18 GLN HBy H 1 2.319 0.020 A 18 GLN HBx H 1 2.191 0.020 A 18 GLN HE2y H 1 7.381 0.020 A 18 GLN HE2x H 1 6.837 0.020 A 18 GLN HGy H 1 2.546 0.020 A 18 GLN HGx H 1 2.474 0.020 A 18 GLN C C 13 175.480 0.400 A 18 GLN CA C 13 55.210 0.400 A 18 GLN CB C 13 31.110 0.400 A 18 GLN CG C 13 34.067 0.400 A 18 GLN N N 15 120.041 0.400 A 18 GLN NE2 N 15 113.730 0.400 A 19 GLN H H 1 7.233 0.020 A 19 GLN HA H 1 4.593 0.020 A 19 GLN HB2 H 1 2.346 0.020 A 19 GLN HB3 H 1 1.752 0.020 A 19 GLN HGy H 1 2.257 0.020 A 19 GLN HGx H 1 2.220 0.020 A 19 GLN C C 13 176.728 0.400 A 19 GLN CA C 13 54.032 0.400 A 19 GLN CB C 13 32.346 0.400 A 19 GLN CG C 13 33.281 0.400 A 19 GLN N N 15 114.524 0.400 A 20 GLU H H 1 8.915 0.020 A 20 GLU HA H 1 4.101 0.020 A 20 GLU HBx H 1 2.093 0.020 A 20 GLU HBy H 1 2.093 0.020 A 20 GLU HGx H 1 2.345 0.020 A 20 GLU HGy H 1 2.345 0.020 A 20 GLU C C 13 176.823 0.400 A 20 GLU CA C 13 59.362 0.400 A 20 GLU CB C 13 29.822 0.400 A 20 GLU CG C 13 36.277 0.400 A 20 GLU N N 15 121.338 0.400 A 21 GLN H H 1 8.391 0.020 A 21 GLN HA H 1 4.529 0.020 A 21 GLN HBy H 1 2.419 0.020 A 21 GLN HBx H 1 2.289 0.020 A 21 GLN HGx H 1 2.375 0.020 A 21 GLN HGy H 1 2.375 0.020 A 21 GLN C C 13 176.543 0.400 A 21 GLN CA C 13 56.702 0.400 A 21 GLN CB C 13 28.089 0.400 A 21 GLN CG C 13 33.943 0.400 A 21 GLN N N 15 113.442 0.400 A 22 GLU H H 1 7.708 0.020 A 22 GLU HA H 1 5.325 0.020 A 22 GLU HBy H 1 2.546 0.020 A 22 GLU HBx H 1 2.360 0.020 A 22 GLU HGy H 1 2.360 0.020 A 22 GLU HGx H 1 2.142 0.020 A 22 GLU C C 13 174.695 0.400 A 22 GLU CA C 13 55.453 0.400 A 22 GLU CB C 13 32.496 0.400 A 22 GLU CG C 13 37.377 0.400 A 22 GLU N N 15 119.918 0.400 A 23 LEU H H 1 7.853 0.020 A 23 LEU HA H 1 4.666 0.020 A 23 LEU HBy H 1 1.552 0.020 A 23 LEU HBx H 1 0.790 0.020 A 23 LEU HD1% H 1 0.757 0.020 A 23 LEU HD2% H 1 0.653 0.020 A 23 LEU HG H 1 1.601 0.020 A 23 LEU C C 13 174.275 0.400 A 23 LEU CA C 13 53.227 0.400 A 23 LEU CB C 13 46.455 0.400 A 23 LEU CD1 C 13 24.289 0.400 A 23 LEU CD2 C 13 26.134 0.400 A 23 LEU CG C 13 26.263 0.400 A 23 LEU N N 15 122.082 0.400 A 24 ASP H H 1 7.555 0.020 A 24 ASP HA H 1 5.143 0.020 A 24 ASP HBy H 1 2.713 0.020 A 24 ASP HBx H 1 2.549 0.020 A 24 ASP C C 13 176.811 0.400 A 24 ASP CA C 13 54.206 0.400 A 24 ASP CB C 13 42.407 0.400 A 24 ASP N N 15 121.097 0.400 A 25 ILE H H 1 8.886 0.020 A 25 ILE HA H 1 5.110 0.020 A 25 ILE HB H 1 1.865 0.020 A 25 ILE HD1% H 1 0.896 0.020 A 25 ILE HG1y H 1 1.785 0.020 A 25 ILE HG1x H 1 1.471 0.020 A 25 ILE HG2% H 1 0.911 0.020 A 25 ILE C C 13 175.142 0.400 A 25 ILE CA C 13 59.778 0.400 A 25 ILE CB C 13 42.482 0.400 A 25 ILE CD1 C 13 13.109 0.400 A 25 ILE CG1 C 13 25.980 0.400 A 25 ILE CG2 C 13 19.165 0.400 A 25 ILE N N 15 115.761 0.400 A 26 LYS H H 1 8.900 0.020 A 26 LYS HA H 1 5.099 0.020 A 26 LYS HBy H 1 1.778 0.020 A 26 LYS HBx H 1 1.697 0.020 A 26 LYS HDx H 1 1.679 0.020 A 26 LYS HDy H 1 1.679 0.020 A 26 LYS HEx H 1 2.996 0.020 A 26 LYS HEy H 1 2.996 0.020 A 26 LYS HGx H 1 1.465 0.020 A 26 LYS HGy H 1 1.465 0.020 A 26 LYS C C 13 175.270 0.400 A 26 LYS CA C 13 53.001 0.400 A 26 LYS CB C 13 35.341 0.400 A 26 LYS CD C 13 28.868 0.400 A 26 LYS CE C 13 41.993 0.400 A 26 LYS CG C 13 24.584 0.400 A 26 LYS N N 15 122.987 0.400 A 27 LYS H H 1 8.917 0.020 A 27 LYS HA H 1 3.123 0.020 A 27 LYS HBy H 1 1.596 0.020 A 27 LYS HBx H 1 1.584 0.020 A 27 LYS HDx H 1 1.691 0.020 A 27 LYS HDy H 1 1.691 0.020 A 27 LYS HEx H 1 3.002 0.020 A 27 LYS HEy H 1 3.002 0.020 A 27 LYS HGx H 1 1.166 0.020 A 27 LYS HGy H 1 1.166 0.020 A 27 LYS C C 13 176.931 0.400 A 27 LYS CA C 13 59.024 0.400 A 27 LYS CB C 13 32.585 0.400 A 27 LYS CD C 13 29.615 0.400 A 27 LYS CE C 13 42.173 0.400 A 27 LYS CG C 13 24.550 0.400 A 27 LYS N N 15 121.187 0.400 A 28 ASN H H 1 8.666 0.020 A 28 ASN HA H 1 4.161 0.020 A 28 ASN HBy H 1 3.288 0.020 A 28 ASN HBx H 1 2.956 0.020 A 28 ASN HD2y H 1 7.542 0.020 A 28 ASN HD2x H 1 6.905 0.020 A 28 ASN C C 13 174.232 0.400 A 28 ASN CA C 13 55.843 0.400 A 28 ASN CB C 13 37.404 0.400 A 28 ASN N N 15 118.093 0.400 A 28 ASN ND2 N 15 113.140 0.400 A 29 GLU H H 1 8.617 0.020 A 29 GLU HA H 1 4.156 0.020 A 29 GLU HBy H 1 2.334 0.020 A 29 GLU HBx H 1 2.093 0.020 A 29 GLU HGx H 1 2.330 0.020 A 29 GLU HGy H 1 2.330 0.020 A 29 GLU C C 13 175.091 0.400 A 29 GLU CA C 13 57.712 0.400 A 29 GLU CB C 13 31.746 0.400 A 29 GLU CG C 13 36.220 0.400 A 29 GLU N N 15 123.988 0.400 A 30 ARG H H 1 8.379 0.020 A 30 ARG HA H 1 4.585 0.020 A 30 ARG HBy H 1 1.643 0.020 A 30 ARG HBx H 1 1.473 0.020 A 30 ARG HDx H 1 3.032 0.020 A 30 ARG HDy H 1 3.032 0.020 A 30 ARG HGy H 1 1.213 0.020 A 30 ARG HGx H 1 1.162 0.020 A 30 ARG C C 13 174.932 0.400 A 30 ARG CA C 13 56.071 0.400 A 30 ARG CB C 13 30.827 0.400 A 30 ARG CD C 13 43.375 0.400 A 30 ARG CG C 13 28.234 0.400 A 30 ARG N N 15 124.804 0.400 A 31 LEU H H 1 8.840 0.020 A 31 LEU HA H 1 4.829 0.020 A 31 LEU HBy H 1 1.415 0.020 A 31 LEU HBx H 1 1.328 0.020 A 31 LEU HD1% H 1 0.901 0.020 A 31 LEU HD2% H 1 0.805 0.020 A 31 LEU HG H 1 1.451 0.020 A 31 LEU C C 13 174.331 0.400 A 31 LEU CA C 13 53.329 0.400 A 31 LEU CB C 13 46.284 0.400 A 31 LEU CD1 C 13 24.899 0.400 A 31 LEU CD2 C 13 27.036 0.400 A 31 LEU CG C 13 27.074 0.400 A 31 LEU N N 15 125.418 0.400 A 32 TRP H H 1 9.109 0.020 A 32 TRP HA H 1 5.103 0.020 A 32 TRP HBx H 1 3.045 0.020 A 32 TRP HBy H 1 3.045 0.020 A 32 TRP HD1 H 1 6.975 0.020 A 32 TRP HE1 H 1 10.161 0.020 A 32 TRP HE3 H 1 7.655 0.020 A 32 TRP HH2 H 1 7.113 0.020 A 32 TRP HZ2 H 1 7.418 0.020 A 32 TRP HZ3 H 1 6.839 0.020 A 32 TRP C C 13 175.927 0.400 A 32 TRP CA C 13 58.427 0.400 A 32 TRP CB C 13 31.115 0.400 A 32 TRP CD1 C 13 126.630 0.400 A 32 TRP CE3 C 13 121.330 0.400 A 32 TRP CH2 C 13 123.810 0.400 A 32 TRP CZ2 C 13 114.410 0.400 A 32 TRP CZ3 C 13 121.463 0.400 A 32 TRP N N 15 120.909 0.400 A 32 TRP NE1 N 15 129.400 0.400 A 33 LEU H H 1 9.098 0.020 A 33 LEU HA H 1 4.330 0.020 A 33 LEU HB2 H 1 1.157 0.020 A 33 LEU HB3 H 1 1.902 0.020 A 33 LEU HD1% H 1 0.592 0.020 A 33 LEU HD2% H 1 0.376 0.020 A 33 LEU HG H 1 1.162 0.020 A 33 LEU C C 13 175.340 0.400 A 33 LEU CA C 13 55.564 0.400 A 33 LEU CB C 13 43.750 0.400 A 33 LEU CD1 C 13 24.147 0.400 A 33 LEU CD2 C 13 25.605 0.400 A 33 LEU CG C 13 26.920 0.400 A 33 LEU N N 15 125.030 0.400 A 34 LEU H H 1 8.977 0.020 A 34 LEU HA H 1 4.611 0.020 A 34 LEU HBy H 1 1.545 0.020 A 34 LEU HBx H 1 1.248 0.020 A 34 LEU HD1% H 1 0.778 0.020 A 34 LEU HD2% H 1 0.784 0.020 A 34 LEU HG H 1 1.643 0.020 A 34 LEU C C 13 177.338 0.400 A 34 LEU CA C 13 55.400 0.400 A 34 LEU CB C 13 42.785 0.400 A 34 LEU CD1 C 13 26.076 0.400 A 34 LEU CD2 C 13 22.959 0.400 A 34 LEU CG C 13 27.578 0.400 A 34 LEU N N 15 125.873 0.400 A 35 ASP H H 1 7.440 0.020 A 35 ASP HA H 1 4.746 0.020 A 35 ASP HBy H 1 2.770 0.020 A 35 ASP HBx H 1 2.710 0.020 A 35 ASP C C 13 174.857 0.400 A 35 ASP CA C 13 55.278 0.400 A 35 ASP CB C 13 43.473 0.400 A 35 ASP N N 15 115.322 0.400 A 36 ASP H H 1 8.309 0.020 A 36 ASP HA H 1 3.925 0.020 A 36 ASP HBy H 1 1.897 0.020 A 36 ASP HBx H 1 1.112 0.020 A 36 ASP C C 13 176.337 0.400 A 36 ASP CA C 13 52.313 0.400 A 36 ASP CB C 13 40.016 0.400 A 36 ASP N N 15 128.280 0.400 A 37 SER H H 1 8.425 0.020 A 37 SER HA H 1 4.209 0.020 A 37 SER HBx H 1 4.034 0.020 A 37 SER HBy H 1 4.034 0.020 A 37 SER C C 13 175.250 0.400 A 37 SER CA C 13 61.637 0.400 A 37 SER CB C 13 64.096 0.400 A 37 SER N N 15 115.367 0.400 A 38 LYS H H 1 8.360 0.020 A 38 LYS HA H 1 4.886 0.020 A 38 LYS HBy H 1 2.264 0.020 A 38 LYS HBx H 1 2.198 0.020 A 38 LYS HEx H 1 3.094 0.020 A 38 LYS HEy H 1 3.094 0.020 A 38 LYS HGy H 1 1.771 0.020 A 38 LYS HGx H 1 1.742 0.020 A 38 LYS C C 13 175.856 0.400 A 38 LYS CA C 13 54.992 0.400 A 38 LYS CB C 13 34.292 0.400 A 38 LYS CE C 13 42.423 0.400 A 38 LYS N N 15 121.851 0.400 A 39 SER H H 1 8.280 0.020 A 39 SER HA H 1 4.299 0.020 A 39 SER HBy H 1 3.968 0.020 A 39 SER HBx H 1 3.952 0.020 A 39 SER C C 13 175.027 0.400 A 39 SER CA C 13 60.866 0.400 A 39 SER CB C 13 63.238 0.400 A 39 SER N N 15 112.265 0.400 A 40 TRP H H 1 7.399 0.020 A 40 TRP HA H 1 4.847 0.020 A 40 TRP HBy H 1 3.034 0.020 A 40 TRP HBx H 1 2.884 0.020 A 40 TRP HD1 H 1 7.160 0.020 A 40 TRP HE1 H 1 10.070 0.020 A 40 TRP HE3 H 1 7.000 0.020 A 40 TRP HH2 H 1 7.312 0.020 A 40 TRP HZ2 H 1 7.380 0.020 A 40 TRP HZ3 H 1 6.750 0.020 A 40 TRP C C 13 175.368 0.400 A 40 TRP CA C 13 56.683 0.400 A 40 TRP CB C 13 29.776 0.400 A 40 TRP CD1 C 13 126.380 0.400 A 40 TRP CE3 C 13 119.120 0.400 A 40 TRP CH2 C 13 125.940 0.400 A 40 TRP CZ2 C 13 114.480 0.400 A 40 TRP CZ3 C 13 121.600 0.400 A 40 TRP N N 15 121.183 0.400 A 40 TRP NE1 N 15 129.860 0.400 A 41 TRP H H 1 9.314 0.020 A 41 TRP HA H 1 5.429 0.020 A 41 TRP HB2 H 1 2.840 0.020 A 41 TRP HB3 H 1 2.945 0.020 A 41 TRP HD1 H 1 7.292 0.020 A 41 TRP HE1 H 1 9.835 0.020 A 41 TRP HE3 H 1 7.503 0.020 A 41 TRP HH2 H 1 7.244 0.020 A 41 TRP HZ2 H 1 7.573 0.020 A 41 TRP HZ3 H 1 6.760 0.020 A 41 TRP C C 13 175.002 0.400 A 41 TRP CA C 13 54.395 0.400 A 41 TRP CB C 13 30.838 0.400 A 41 TRP CD1 C 13 125.152 0.400 A 41 TRP CE3 C 13 120.820 0.400 A 41 TRP CH2 C 13 124.530 0.400 A 41 TRP CZ2 C 13 114.690 0.400 A 41 TRP CZ3 C 13 120.900 0.400 A 41 TRP N N 15 125.559 0.400 A 41 TRP NE1 N 15 129.880 0.400 A 42 ARG H H 1 8.794 0.020 A 42 ARG HA H 1 4.572 0.020 A 42 ARG HBy H 1 1.710 0.020 A 42 ARG HBx H 1 1.470 0.020 A 42 ARG HDx H 1 2.932 0.020 A 42 ARG HDy H 1 2.932 0.020 A 42 ARG HGy H 1 1.153 0.020 A 42 ARG HGx H 1 0.730 0.020 A 42 ARG C C 13 175.559 0.400 A 42 ARG CA C 13 55.440 0.400 A 42 ARG CB C 13 32.326 0.400 A 42 ARG CD C 13 43.102 0.400 A 42 ARG CG C 13 28.345 0.400 A 42 ARG N N 15 124.137 0.400 A 43 VAL H H 1 9.182 0.020 A 43 VAL HA H 1 5.512 0.020 A 43 VAL HB H 1 2.146 0.020 A 43 VAL HG1% H 1 0.882 0.020 A 43 VAL HG2% H 1 0.868 0.020 A 43 VAL C C 13 172.797 0.400 A 43 VAL CA C 13 58.762 0.400 A 43 VAL CB C 13 36.777 0.400 A 43 VAL CG1 C 13 21.818 0.400 A 43 VAL CG2 C 13 19.631 0.400 A 43 VAL N N 15 121.379 0.400 A 44 ARG H H 1 9.238 0.020 A 44 ARG HA H 1 5.511 0.020 A 44 ARG HB2 H 1 1.652 0.020 A 44 ARG HB3 H 1 1.951 0.020 A 44 ARG HDy H 1 3.217 0.020 A 44 ARG HDx H 1 3.089 0.020 A 44 ARG HGy H 1 1.501 0.020 A 44 ARG HGx H 1 1.432 0.020 A 44 ARG C C 13 175.668 0.400 A 44 ARG CA C 13 53.705 0.400 A 44 ARG CB C 13 35.366 0.400 A 44 ARG CD C 13 43.309 0.400 A 44 ARG CG C 13 27.484 0.400 A 44 ARG N N 15 119.936 0.400 A 45 ASN H H 1 8.787 0.020 A 45 ASN HA H 1 5.474 0.020 A 45 ASN HBy H 1 3.839 0.020 A 45 ASN HBx H 1 2.904 0.020 A 45 ASN HD2y H 1 9.161 0.020 A 45 ASN HD2x H 1 6.687 0.020 A 45 ASN C C 13 178.383 0.400 A 45 ASN CA C 13 50.705 0.400 A 45 ASN CB C 13 40.835 0.400 A 45 ASN N N 15 123.301 0.400 A 45 ASN ND2 N 15 113.383 0.400 A 46 SER H H 1 9.669 0.020 A 46 SER HA H 1 4.315 0.020 A 46 SER HBx H 1 4.219 0.020 A 46 SER HBy H 1 4.219 0.020 A 46 SER C C 13 175.111 0.400 A 46 SER CA C 13 61.617 0.400 A 46 SER CB C 13 63.177 0.400 A 46 SER N N 15 114.717 0.400 A 47 MET H H 1 7.623 0.020 A 47 MET HA H 1 4.704 0.020 A 47 MET HBy H 1 2.370 0.020 A 47 MET HBx H 1 2.005 0.020 A 47 MET HGy H 1 2.688 0.020 A 47 MET HGx H 1 2.537 0.020 A 47 MET C C 13 175.690 0.400 A 47 MET CA C 13 54.530 0.400 A 47 MET CB C 13 31.607 0.400 A 47 MET CG C 13 32.498 0.400 A 47 MET N N 15 120.082 0.400 A 48 ASN H H 1 8.399 0.020 A 48 ASN HA H 1 4.194 0.020 A 48 ASN HB2 H 1 2.951 0.020 A 48 ASN HB3 H 1 3.147 0.020 A 48 ASN HD2y H 1 7.443 0.020 A 48 ASN HD2x H 1 6.713 0.020 A 48 ASN C C 13 174.194 0.400 A 48 ASN CA C 13 54.961 0.400 A 48 ASN CB C 13 37.076 0.400 A 48 ASN N N 15 113.434 0.400 A 48 ASN ND2 N 15 112.181 0.400 A 49 LYS H H 1 8.053 0.020 A 49 LYS HA H 1 4.542 0.020 A 49 LYS HB2 H 1 1.715 0.020 A 49 LYS HB3 H 1 1.845 0.020 A 49 LYS HDx H 1 1.752 0.020 A 49 LYS HDy H 1 1.752 0.020 A 49 LYS HEx H 1 3.071 0.020 A 49 LYS HEy H 1 3.071 0.020 A 49 LYS HGy H 1 1.560 0.020 A 49 LYS HGx H 1 1.404 0.020 A 49 LYS C C 13 175.459 0.400 A 49 LYS CA C 13 55.672 0.400 A 49 LYS CB C 13 33.352 0.400 A 49 LYS CD C 13 28.882 0.400 A 49 LYS CE C 13 42.433 0.400 A 49 LYS CG C 13 25.399 0.400 A 49 LYS N N 15 120.636 0.400 A 50 THR H H 1 8.222 0.020 A 50 THR HA H 1 5.699 0.020 A 50 THR HB H 1 3.874 0.020 A 50 THR HG2% H 1 1.053 0.020 A 50 THR C C 13 174.548 0.400 A 50 THR CA C 13 59.247 0.400 A 50 THR CB C 13 71.798 0.400 A 50 THR CG2 C 13 22.027 0.400 A 50 THR N N 15 113.817 0.400 A 51 GLY H H 1 8.597 0.020 A 51 GLY HAx H 1 3.914 0.020 A 51 GLY HAy H 1 4.061 0.020 A 51 GLY C C 13 170.511 0.400 A 51 GLY CA C 13 45.470 0.400 A 51 GLY N N 15 108.052 0.400 A 52 PHE H H 1 8.995 0.020 A 52 PHE HA H 1 5.867 0.020 A 52 PHE HB2 H 1 2.740 0.020 A 52 PHE HB3 H 1 3.187 0.020 A 52 PHE HD1 H 1 7.171 0.020 A 52 PHE HD2 H 1 7.171 0.020 A 52 PHE HE1 H 1 7.460 0.020 A 52 PHE HE2 H 1 7.460 0.020 A 52 PHE HZ H 1 7.386 0.020 A 52 PHE C C 13 176.301 0.400 A 52 PHE CA C 13 57.925 0.400 A 52 PHE CB C 13 42.818 0.400 A 52 PHE CD1 C 13 131.770 0.400 A 52 PHE CD2 C 13 131.771 0.400 A 52 PHE CE1 C 13 131.750 0.400 A 52 PHE CE2 C 13 131.751 0.400 A 52 PHE CZ C 13 130.310 0.400 A 52 PHE N N 15 118.199 0.400 A 53 VAL H H 1 9.117 0.020 A 53 VAL HA H 1 4.778 0.020 A 53 VAL HB H 1 1.745 0.020 A 53 VAL HG1% H 1 1.071 0.020 A 53 VAL HG2% H 1 0.715 0.020 A 53 VAL CA C 13 57.529 0.400 A 53 VAL CB C 13 33.545 0.400 A 53 VAL CG1 C 13 23.370 0.400 A 53 VAL CG2 C 13 18.661 0.400 A 53 VAL N N 15 112.228 0.400 A 54 PRO HA H 1 3.256 0.020 A 54 PRO HBx H 1 1.290 0.020 A 54 PRO HDy H 1 2.335 0.020 A 54 PRO HDx H 1 2.054 0.020 A 54 PRO HGy H 1 0.594 0.020 A 54 PRO HGx H 1 0.288 0.020 A 54 PRO C C 13 178.940 0.400 A 54 PRO CA C 13 62.446 0.400 A 54 PRO CB C 13 30.412 0.400 A 54 PRO CD C 13 49.507 0.400 A 54 PRO CG C 13 26.940 0.400 A 55 SER H H 1 7.746 0.020 A 55 SER C C 13 174.688 0.400 A 55 SER N N 15 118.307 0.400 A 56 ASN H H 1 8.178 0.020 A 56 ASN HA H 1 4.474 0.020 A 56 ASN HBy H 1 2.832 0.020 A 56 ASN HBx H 1 2.643 0.020 A 56 ASN C C 13 175.383 0.400 A 56 ASN CA C 13 53.910 0.400 A 56 ASN CB C 13 36.705 0.400 A 56 ASN N N 15 113.946 0.400 A 57 TYR H H 1 7.902 0.020 A 57 TYR HA H 1 4.453 0.020 A 57 TYR HBy H 1 3.200 0.020 A 57 TYR HBx H 1 3.030 0.020 A 57 TYR HD1 H 1 7.014 0.020 A 57 TYR HD2 H 1 7.014 0.020 A 57 TYR HE1 H 1 6.830 0.020 A 57 TYR HE2 H 1 6.830 0.020 A 57 TYR C C 13 175.088 0.400 A 57 TYR CA C 13 59.157 0.400 A 57 TYR CB C 13 38.195 0.400 A 57 TYR CD1 C 13 133.270 0.400 A 57 TYR CE1 C 13 118.210 0.400 A 57 TYR N N 15 118.299 0.400 A 58 VAL H H 1 7.281 0.020 A 58 VAL HA H 1 5.102 0.020 A 58 VAL HB H 1 1.842 0.020 A 58 VAL HG1% H 1 0.708 0.020 A 58 VAL HG2% H 1 0.734 0.020 A 58 VAL C C 13 173.097 0.400 A 58 VAL CA C 13 58.509 0.400 A 58 VAL CB C 13 35.643 0.400 A 58 VAL CG1 C 13 22.382 0.400 A 58 VAL CG2 C 13 19.722 0.400 A 58 VAL N N 15 111.551 0.400 A 59 GLU H H 1 8.635 0.020 A 59 GLU HA H 1 4.780 0.020 A 59 GLU HBy H 1 1.939 0.020 A 59 GLU HBx H 1 1.809 0.020 A 59 GLU HGx H 1 2.091 0.020 A 59 GLU HGy H 1 2.091 0.020 A 59 GLU C C 13 175.523 0.400 A 59 GLU CA C 13 54.394 0.400 A 59 GLU CB C 13 33.500 0.400 A 59 GLU CG C 13 35.823 0.400 A 59 GLU N N 15 118.716 0.400 A 60 ARG H H 1 8.984 0.020 A 60 ARG HA H 1 4.532 0.020 A 60 ARG HBy H 1 1.941 0.020 A 60 ARG HBx H 1 1.739 0.020 A 60 ARG HDx H 1 3.158 0.020 A 60 ARG HDy H 1 3.158 0.020 A 60 ARG HGy H 1 1.716 0.020 A 60 ARG HGx H 1 1.546 0.020 A 60 ARG C C 13 175.628 0.400 A 60 ARG CA C 13 56.566 0.400 A 60 ARG CB C 13 31.133 0.400 A 60 ARG CD C 13 43.579 0.400 A 60 ARG CG C 13 27.928 0.400 A 60 ARG N N 15 125.146 0.400 A 61 LYS H H 1 8.439 0.020 A 61 LYS HA H 1 4.423 0.020 A 61 LYS HBy H 1 1.818 0.020 A 61 LYS HBx H 1 1.620 0.020 A 61 LYS HDx H 1 1.599 0.020 A 61 LYS HDy H 1 1.599 0.020 A 61 LYS HEx H 1 2.908 0.020 A 61 LYS HEy H 1 2.908 0.020 A 61 LYS HGx H 1 1.376 0.020 A 61 LYS HGy H 1 1.376 0.020 A 61 LYS C C 13 175.716 0.400 A 61 LYS CA C 13 55.707 0.400 A 61 LYS CB C 13 33.548 0.400 A 61 LYS CD C 13 28.783 0.400 A 61 LYS CE C 13 42.016 0.400 A 61 LYS CG C 13 24.556 0.400 A 61 LYS N N 15 124.640 0.400 A 62 ASN H H 1 8.570 0.020 A 62 ASN HA H 1 4.773 0.020 A 62 ASN HBy H 1 2.852 0.020 A 62 ASN HBx H 1 2.762 0.020 A 62 ASN C C 13 174.244 0.400 A 62 ASN CA C 13 53.453 0.400 A 62 ASN CB C 13 39.183 0.400 A 62 ASN N N 15 121.640 0.400 A 63 SER H H 1 7.866 0.020 A 63 SER HA H 1 4.225 0.020 A 63 SER HBx H 1 3.839 0.020 A 63 SER HBy H 1 3.839 0.020 A 63 SER CA C 13 60.004 0.400 A 63 SER CB C 13 64.861 0.400 A 63 SER N N 15 120.988 0.400 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type upper-bound-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 17 ALA H A 25 ILE H 1.0 . 5.19 2 2 A 17 ALA H A 24 ASP HA 1.0 . 3.77 3 3 A 17 ALA H A 18 GLN HA 1.0 . 5.09 4 4 A 17 ALA H A 16 VAL HA 1.0 . 2.41 5 5 A 17 ALA H A 17 ALA HB% 1.0 . 2.66 6 6 A 17 ALA H A 16 VAL HG1% 1.0 . 3.11 7 7 A 15 TYR HA A 16 VAL H 1.0 . 2.58 8 8 A 16 VAL H A 15 TYR HBy 1.0 . 5.32 9 9 A 16 VAL H A 15 TYR HBx 1.0 . 5.50 10 10 A 16 VAL H A 16 VAL HB 1.0 . 2.88 11 11 A 16 VAL H A 16 VAL HG2% 1.0 . 3.05 12 12 A 11 ALA H A 26 LYS H 1.0 . 5.50 13 13 A 11 ALA H A 31 LEU H 1.0 . 4.61 14 14 A 11 ALA H A 58 VAL HA 1.0 . 5.17 15 15 A 11 ALA H A 10 VAL HA 1.0 . 2.60 16 16 A 11 ALA H A 10 VAL HB 1.0 . 4.13 17 17 A 11 ALA H A 11 ALA HB% 1.0 . 2.65 18 18 A 11 ALA H A 10 VAL HGx% 1.0 . 2.92 19 18 A 11 ALA H A 10 VAL HGy% 1.0 . 2.92 20 19 A 36 ASP H A 37 SER H 1.0 . 3.30 21 20 A 36 ASP H A 35 ASP HA 1.0 . 2.61 22 21 A 7 VAL HA A 8 VAL H 1.0 . 2.62 23 22 A 8 VAL H A 7 VAL HB 1.0 . 5.18 24 23 A 8 VAL H A 8 VAL HB 1.0 . 3.05 25 24 A 8 VAL H A 8 VAL HG1% 1.0 . 3.86 26 25 A 8 VAL H A 8 VAL HG2% 1.0 . 4.08 27 26 A 58 VAL HA A 12 LYS H 1.0 . 3.32 28 27 A 12 LYS H A 11 ALA HA 1.0 . 2.76 29 28 A 34 LEU H A 43 VAL HG1% 1.0 . 4.13 30 29 A 34 LEU H A 43 VAL HA 1.0 . 3.40 31 30 A 34 LEU H A 33 LEU HA 1.0 . 2.72 32 31 A 34 LEU H A 34 LEU HG 1.0 . 4.24 33 32 A 34 LEU H A 34 LEU HD2% 1.0 . 5.10 34 33 A 34 LEU H A 33 LEU HD1% 1.0 . 3.80 35 34 A 40 TRP HA A 41 TRP H 1.0 . 2.99 36 35 A 41 TRP H A 41 TRP HB2 1.0 . 3.15 37 36 A 31 LEU H A 31 LEU HBx 1.0 . 3.80 38 37 A 31 LEU H A 31 LEU HD1% 1.0 . 4.30 39 38 A 31 LEU H A 10 VAL HA 1.0 . 4.95 40 39 A 31 LEU H A 30 ARG HA 1.0 . 2.63 41 40 A 9 VAL HG1% A 33 LEU H 1.0 . 5.22 42 41 A 59 GLU HA A 60 ARG H 1.0 . 3.10 43 42 A 31 LEU H A 9 VAL HG2% 1.0 . 4.25 44 43 A 31 LEU H A 8 VAL HG1% 1.0 . 5.11 45 44 A 33 LEU H A 44 ARG H 1.0 . 5.14 46 45 A 34 LEU H A 33 LEU H 1.0 . 4.57 47 46 A 33 LEU H A 32 TRP HA 1.0 . 2.70 48 47 A 33 LEU H A 32 TRP HBx 1.0 . 5.12 49 47 A 33 LEU H A 32 TRP HBy 1.0 . 5.12 50 48 A 33 LEU H A 33 LEU HB3 1.0 . 3.18 51 49 A 33 LEU H A 33 LEU HB2 1.0 . 3.23 52 50 A 9 VAL HA A 61 LYS H 1.0 . 4.46 53 51 A 61 LYS H A 60 ARG HA 1.0 . 3.18 54 52 A 30 ARG H A 30 ARG HBx 1.0 . 2.69 55 53 A 30 ARG H A 30 ARG HBy 1.0 . 3.70 56 54 A 30 ARG H A 29 GLU H 1.0 . 4.69 57 55 A 30 ARG H A 29 GLU HA 1.0 . 2.43 58 56 A 30 ARG H A 29 GLU HGx 1.0 . 2.98 59 56 A 30 ARG H A 29 GLU HGy 1.0 . 2.98 60 57 A 41 TRP HB3 A 42 ARG H 1.0 . 3.77 61 58 A 42 ARG H A 52 PHE HE% 1.0 . 4.76 62 59 A 42 ARG H A 41 TRP HA 1.0 . 2.69 63 60 A 42 ARG H A 42 ARG HBx 1.0 . 3.47 64 61 A 42 ARG H A 42 ARG HBy 1.0 . 3.69 65 62 A 26 LYS H A 29 GLU H 1.0 . 4.23 66 63 A 11 ALA H A 29 GLU H 1.0 . 3.06 67 64 A 29 GLU H A 28 ASN HA 1.0 . 3.16 68 65 A 29 GLU H A 27 LYS HA 1.0 . 4.90 69 66 A 29 GLU H A 29 GLU HBy 1.0 . 2.84 70 67 A 29 GLU H A 29 GLU HBx 1.0 . 2.84 71 68 A 11 ALA HB% A 29 GLU H 1.0 . 2.69 72 69 A 29 GLU H A 25 ILE HD1% 1.0 . 4.44 73 70 A 29 GLU H A 10 VAL HGx% 1.0 . 5.08 74 70 A 10 VAL HGy% A 29 GLU H 1.0 . 5.08 75 71 A 29 GLU H A 31 LEU HD2% 1.0 . 5.50 76 72 A 45 ASN H A 50 THR HA 1.0 . 4.61 77 73 A 45 ASN H A 44 ARG HA 1.0 . 2.54 78 74 A 45 ASN H A 43 VAL HB 1.0 . 5.01 79 75 A 26 LYS H A 25 ILE HA 1.0 . 2.57 80 76 A 26 LYS H A 25 ILE HB 1.0 . 3.09 81 77 A 26 LYS H A 25 ILE HG1y 1.0 . 5.05 82 78 A 26 LYS H A 26 LYS HGx 1.0 . 5.28 83 78 A 26 LYS H A 26 LYS HGy 1.0 . 5.28 84 79 A 26 LYS H A 25 ILE HD1% 1.0 . 4.23 85 80 A 6 GLU HA A 7 VAL H 1.0 . 2.76 86 81 A 38 LYS H A 37 SER HBx 1.0 . 4.53 87 81 A 37 SER HBy A 38 LYS H 1.0 . 4.53 88 82 A 5 GLU HA A 6 GLU H 1.0 . 2.69 89 83 A 22 GLU H A 23 LEU H 1.0 . 4.57 90 84 A 23 LEU H A 22 GLU HA 1.0 . 2.83 91 85 A 23 LEU H A 22 GLU HBy 1.0 . 4.01 92 86 A 23 LEU H A 22 GLU HBx 1.0 . 4.01 93 87 A 23 LEU H A 23 LEU HBx 1.0 . 3.24 94 88 A 23 LEU H A 53 VAL HG1% 1.0 . 4.05 95 89 A 23 LEU H A 25 ILE HG2% 1.0 . 5.23 96 90 A 23 LEU H A 43 VAL HG2% 1.0 . 5.50 97 91 A 23 LEU H A 23 LEU HBy 1.0 . 3.31 98 92 A 42 ARG HA A 43 VAL H 1.0 . 2.74 99 93 A 43 VAL HG2% A 43 VAL H 1.0 . 2.85 100 94 A 43 VAL H A 53 VAL HG2% 1.0 . 5.13 101 95 A 14 ASP HA A 27 LYS H 1.0 . 2.58 102 96 A 27 LYS H A 26 LYS HEx 1.0 . 5.07 103 96 A 27 LYS H A 26 LYS HEy 1.0 . 5.07 104 97 A 27 LYS H A 26 LYS HGx 1.0 . 3.26 105 97 A 26 LYS HGy A 27 LYS H 1.0 . 3.26 106 98 A 27 LYS H A 14 ASP HB3 1.0 . 4.18 107 99 A 44 ARG H A 32 TRP H 1.0 . 3.40 108 100 A 32 TRP H A 9 VAL H 1.0 . 5.01 109 101 A 31 LEU H A 32 TRP H 1.0 . 5.37 110 102 A 32 TRP H A 32 TRP HE3 1.0 . 5.00 111 103 A 32 TRP H A 31 LEU HA 1.0 . 3.18 112 104 A 32 TRP H A 32 TRP HBx 1.0 . 3.12 113 104 A 32 TRP HBy A 32 TRP H 1.0 . 3.12 114 105 A 32 TRP H A 31 LEU HBy 1.0 . 3.42 115 106 A 31 LEU HD1% A 32 TRP H 1.0 . 4.64 116 107 A 43 VAL HG1% A 32 TRP H 1.0 . 4.96 117 108 A 27 LYS H A 26 LYS HA 1.0 . 2.47 118 109 A 27 LYS H A 27 LYS HBx 1.0 . 2.41 119 110 A 27 LYS H A 27 LYS HGx 1.0 . 5.17 120 110 A 27 LYS H A 27 LYS HGy 1.0 . 5.17 121 111 A 26 LYS HA A 15 TYR H 1.0 . 4.46 122 112 A 14 ASP HA A 15 TYR H 1.0 . 2.67 123 113 A 15 TYR HBx A 15 TYR H 1.0 . 3.27 124 114 A 14 ASP HB3 A 15 TYR H 1.0 . 3.60 125 115 A 15 TYR H A 25 ILE HG1x 1.0 . 3.23 126 116 A 25 ILE HG1y A 15 TYR H 1.0 . 4.77 127 117 A 25 ILE HD1% A 15 TYR H 1.0 . 5.03 128 118 A 23 LEU HA A 24 ASP H 1.0 . 2.55 129 119 A 24 ASP H A 24 ASP HBy 1.0 . 3.73 130 120 A 24 ASP H A 24 ASP HBx 1.0 . 3.73 131 121 A 23 LEU HBx A 24 ASP H 1.0 . 4.13 132 122 A 17 ALA HB% A 24 ASP H 1.0 . 4.97 133 123 A 24 ASP H A 23 LEU HD1% 1.0 . 3.23 134 124 A 45 ASN H A 49 LYS H 1.0 . 4.75 135 125 A 49 LYS H A 48 ASN H 1.0 . 2.97 136 126 A 49 LYS H A 50 THR H 1.0 . 4.67 137 127 A 49 LYS H A 49 LYS HB3 1.0 . 3.61 138 128 A 49 LYS H A 49 LYS HB2 1.0 . 3.07 139 129 A 49 LYS H A 44 ARG HGy 1.0 . 5.50 140 130 A 49 LYS H A 47 MET HA 1.0 . 5.13 141 131 A 43 VAL HA A 44 ARG H 1.0 . 2.73 142 132 A 44 ARG H A 32 TRP HBx 1.0 . 5.11 143 132 A 44 ARG H A 32 TRP HBy 1.0 . 5.11 144 133 A 43 VAL HG1% A 44 ARG H 1.0 . 4.23 145 134 A 44 ARG H A 43 VAL HG2% 1.0 . 4.70 146 135 A 44 ARG H A 43 VAL HB 1.0 . 2.91 147 136 A 17 ALA HA A 18 GLN H 1.0 . 2.56 148 137 A 18 GLN H A 18 GLN HBy 1.0 . 3.65 149 138 A 18 GLN H A 18 GLN HBx 1.0 . 3.65 150 139 A 17 ALA HB% A 18 GLN H 1.0 . 3.91 151 140 A 22 GLU H A 21 GLN H 1.0 . 3.38 152 141 A 22 GLU H A 21 GLN HGx 1.0 . 2.66 153 141 A 22 GLU H A 21 GLN HGy 1.0 . 2.66 154 142 A 48 ASN H A 47 MET H 1.0 . 2.70 155 143 A 49 LYS H A 47 MET H 1.0 . 4.71 156 144 A 47 MET H A 46 SER HBx 1.0 . 4.43 157 144 A 47 MET H A 46 SER HBy 1.0 . 4.43 158 145 A 47 MET H A 47 MET HGx 1.0 . 5.14 159 146 A 47 MET H A 46 SER H 1.0 . 3.99 160 147 A 47 MET H A 47 MET HGy 1.0 . 5.14 161 148 A 6 GLU H A 5 GLU H 1.0 . 5.04 162 149 A 30 ARG HA A 9 VAL H 1.0 . 5.06 163 150 A 9 VAL H A 8 VAL HA 1.0 . 2.61 164 151 A 9 VAL HG2% A 9 VAL H 1.0 . 3.07 165 152 A 8 VAL HG1% A 9 VAL H 1.0 . 3.19 166 153 A 58 VAL HA A 59 GLU H 1.0 . 2.75 167 154 A 11 ALA HA A 59 GLU H 1.0 . 5.18 168 155 A 59 GLU H A 59 GLU HGx 1.0 . 4.87 169 155 A 59 GLU H A 59 GLU HGy 1.0 . 4.87 170 156 A 59 GLU H A 58 VAL HB 1.0 . 2.93 171 157 A 25 ILE HD1% A 59 GLU H 1.0 . 5.13 172 158 A 59 GLU H A 58 VAL HG2% 1.0 . 3.56 173 159 A 59 GLU H A 58 VAL H 1.0 . 5.16 174 160 A 9 VAL HG1% A 10 VAL H 1.0 . 5.14 175 161 A 9 VAL HA A 10 VAL H 1.0 . 3.01 176 162 A 60 ARG HA A 10 VAL H 1.0 . 5.18 177 163 A 10 VAL H A 9 VAL HB 1.0 . 3.09 178 164 A 52 PHE H A 53 VAL H 1.0 . 4.35 179 165 A 23 LEU H A 52 PHE H 1.0 . 4.98 180 166 A 22 GLU HA A 52 PHE H 1.0 . 3.08 181 167 A 52 PHE H A 51 GLY HAy 1.0 . 3.39 182 168 A 52 PHE H A 51 GLY HAx 1.0 . 3.39 183 169 A 52 PHE H A 52 PHE HB2 1.0 . 3.11 184 170 A 28 ASN HA A 28 ASN H 1.0 . 2.45 185 171 A 28 ASN H A 28 ASN HBy 1.0 . 4.09 186 172 A 27 LYS HA A 28 ASN H 1.0 . 2.44 187 173 A 28 ASN H A 28 ASN HBx 1.0 . 4.09 188 174 A 28 ASN H A 27 LYS HDx 1.0 . 5.22 189 174 A 28 ASN H A 27 LYS HDy 1.0 . 5.22 190 175 A 11 ALA HB% A 28 ASN H 1.0 . 3.39 191 176 A 28 ASN H A 27 LYS HGx 1.0 . 3.18 192 176 A 27 LYS HGy A 28 ASN H 1.0 . 3.18 193 177 A 10 VAL HB A 10 VAL H 1.0 . 3.27 194 178 A 10 VAL H A 10 VAL HGx% 1.0 . 3.18 195 178 A 10 VAL HGy% A 10 VAL H 1.0 . 3.18 196 179 A 13 PHE H A 57 TYR H 1.0 . 5.50 197 180 A 57 TYR H A 57 TYR HBx 1.0 . 3.60 198 181 A 58 VAL H A 57 TYR H 1.0 . 3.05 199 182 A 57 TYR H A 56 ASN HA 1.0 . 3.60 200 183 A 57 TYR H A 57 TYR HBy 1.0 . 2.97 201 184 A 57 TYR H A 58 VAL HG1% 1.0 . 5.45 202 185 A 58 VAL HG2% A 57 TYR H 1.0 . 5.50 203 186 A 57 TYR H A 55 SER H 1.0 . 4.25 204 187 A 55 SER H A 54 PRO HA 1.0 . 3.04 205 188 A 27 LYS H A 28 ASN H 1.0 . 5.10 206 189 A 27 LYS HA A 14 ASP H 1.0 . 5.23 207 190 A 27 LYS H A 14 ASP H 1.0 . 3.60 208 191 A 28 ASN H A 14 ASP H 1.0 . 5.50 209 192 A 13 PHE H A 14 ASP H 1.0 . 5.21 210 193 A 14 ASP H A 13 PHE HA 1.0 . 2.62 211 194 A 14 ASP H A 13 PHE HB3 1.0 . 2.79 212 195 A 14 ASP HB3 A 14 ASP H 1.0 . 3.54 213 196 A 14 ASP H A 14 ASP HB2 1.0 . 3.25 214 197 A 14 ASP H A 13 PHE HB2 1.0 . 4.78 215 198 A 14 ASP H A 27 LYS HBy 1.0 . 3.21 216 199 A 25 ILE H A 15 TYR HBx 1.0 . 4.92 217 200 A 25 ILE H A 24 ASP HA 1.0 . 2.63 218 201 A 25 ILE H A 25 ILE HG1x 1.0 . 4.85 219 202 A 25 ILE H A 25 ILE HG1y 1.0 . 3.55 220 203 A 25 ILE H A 25 ILE HG2% 1.0 . 4.13 221 204 A 37 SER H A 37 SER HBx 1.0 . 2.94 222 204 A 37 SER H A 37 SER HBy 1.0 . 2.94 223 205 A 37 SER H A 36 ASP HA 1.0 . 3.40 224 206 A 43 VAL HA A 35 ASP H 1.0 . 5.20 225 207 A 34 LEU H A 35 ASP H 1.0 . 2.76 226 208 A 42 ARG H A 35 ASP H 1.0 . 4.22 227 209 A 42 ARG HBx A 35 ASP H 1.0 . 3.56 228 210 A 33 LEU HD1% A 35 ASP H 1.0 . 4.74 229 211 A 46 SER H A 45 ASN HA 1.0 . 3.31 230 212 A 46 SER H A 46 SER HBx 1.0 . 3.37 231 212 A 46 SER HBy A 46 SER H 1.0 . 3.37 232 213 A 18 GLN H A 19 GLN H 1.0 . 3.45 233 214 A 22 GLU H A 19 GLN H 1.0 . 5.07 234 215 A 17 ALA HA A 19 GLN H 1.0 . 4.96 235 216 A 19 GLN H A 19 GLN HB2 1.0 . 3.07 236 217 A 17 ALA HB% A 19 GLN H 1.0 . 4.13 237 218 A 48 ASN H A 46 SER HA 1.0 . 3.76 238 219 A 48 ASN H A 48 ASN HA 1.0 . 2.62 239 220 A 21 GLN H A 20 GLU HBx 1.0 . 4.15 240 220 A 21 GLN H A 20 GLU HBy 1.0 . 4.15 241 221 A 23 LEU HA A 50 THR H 1.0 . 4.81 242 222 A 50 THR H A 49 LYS HA 1.0 . 3.08 243 223 A 50 THR H A 50 THR HB 1.0 . 4.07 244 224 A 50 THR H A 50 THR HG2% 1.0 . 4.22 245 225 A 45 ASN H A 48 ASN H 1.0 . 5.17 246 226 A 48 ASN H A 47 MET HA 1.0 . 3.44 247 227 A 21 GLN H A 21 GLN HGx 1.0 . 3.10 248 227 A 21 GLN H A 21 GLN HGy 1.0 . 3.10 249 228 A 53 VAL HG1% A 53 VAL H 1.0 . 5.02 250 229 A 43 VAL HG2% A 53 VAL H 1.0 . 4.95 251 230 A 41 TRP H A 53 VAL H 1.0 . 3.84 252 231 A 53 VAL H A 52 PHE HA 1.0 . 2.95 253 232 A 53 VAL H A 52 PHE HB3 1.0 . 3.84 254 233 A 53 VAL HG2% A 53 VAL H 1.0 . 3.54 255 234 A 47 MET HA A 48 ASN HD2y 1.0 . 3.75 256 235 A 47 MET HA A 48 ASN HD2x 1.0 . 3.75 257 236 A 13 PHE H A 12 LYS HGx 1.0 . 4.26 258 236 A 13 PHE H A 12 LYS HGy 1.0 . 4.26 259 237 A 13 PHE H A 57 TYR HD% 1.0 . 4.21 260 238 A 13 PHE H A 13 PHE HD% 1.0 . 4.82 261 239 A 27 LYS HA A 13 PHE H 1.0 . 5.22 262 240 A 11 ALA HB% A 13 PHE H 1.0 . 3.38 263 241 A 12 LYS H A 13 PHE H 1.0 . 3.01 264 242 A 11 ALA HA A 13 PHE H 1.0 . 5.02 265 243 A 13 PHE H A 13 PHE HB2 1.0 . 4.12 266 244 A 25 ILE HD1% A 13 PHE H 1.0 . 3.81 267 245 A 58 VAL HG2% A 58 VAL H 1.0 . 2.99 268 246 A 44 ARG HA A 51 GLY H 1.0 . 5.28 269 247 A 50 THR HB A 51 GLY H 1.0 . 3.42 270 248 A 50 THR HG2% A 51 GLY H 1.0 . 4.88 271 249 A 23 LEU HBy A 51 GLY H 1.0 . 3.31 272 250 A 51 GLY H A 23 LEU HD2% 1.0 . 5.15 273 251 A 43 VAL H A 51 GLY H 1.0 . 3.91 274 252 A 52 PHE HA A 51 GLY H 1.0 . 5.13 275 253 A 50 THR HA A 51 GLY H 1.0 . 3.04 276 254 A 43 VAL HG2% A 51 GLY H 1.0 . 4.67 277 255 A 9 VAL HG1% A 9 VAL H 1.0 . 4.75 278 256 A 32 TRP HA A 9 VAL H 1.0 . 4.48 279 257 A 11 ALA H A 25 ILE HD1% 1.0 . 4.61 280 258 A 11 ALA HB% A 12 LYS H 1.0 . 5.28 281 259 A 18 GLN H A 15 TYR HE% 1.0 . 5.50 282 260 A 17 ALA HB% A 23 LEU H 1.0 . 5.28 283 261 A 23 LEU H A 15 TYR HD% 1.0 . 5.50 284 262 A 31 LEU H A 30 ARG HGx 1.0 . 5.29 285 263 A 33 LEU H A 8 VAL HA 1.0 . 5.28 286 264 A 42 ARG HBy A 35 ASP H 1.0 . 5.38 287 265 A 52 PHE H A 52 PHE HD% 1.0 . 5.27 288 266 A 40 TRP HA A 55 SER H 1.0 . 4.49 289 267 A 57 TYR H A 57 TYR HD% 1.0 . 5.09 290 268 A 23 LEU HBx A 23 LEU HD2% 1.0 . 4.11 291 269 A 31 LEU HBx A 31 LEU HD1% 1.0 . 3.79 292 270 A 43 VAL HG1% A 31 LEU HBx 1.0 . 4.35 293 271 A 8 VAL HG1% A 31 LEU HBy 1.0 . 5.50 294 272 A 33 LEU HD1% A 31 LEU HBy 1.0 . 5.50 295 273 A 23 LEU HBx A 53 VAL HB 1.0 . 4.56 296 274 A 33 LEU HA A 31 LEU HBx 1.0 . 5.50 297 275 A 33 LEU HA A 31 LEU HBy 1.0 . 5.50 298 276 A 9 VAL HG1% A 33 LEU HB3 1.0 . 5.20 299 277 A 13 PHE HB2 A 57 TYR HD% 1.0 . 5.50 300 278 A 57 TYR HBx A 13 PHE HB3 1.0 . 4.46 301 279 A 9 VAL HG1% A 60 ARG HDx 1.0 . 5.50 302 279 A 9 VAL HG1% A 60 ARG HDy 1.0 . 5.50 303 280 A 30 ARG HBx A 30 ARG HDx 1.0 . 3.70 304 280 A 30 ARG HBx A 30 ARG HDy 1.0 . 3.70 305 281 A 8 VAL HG1% A 30 ARG HDx 1.0 . 4.15 306 281 A 8 VAL HG1% A 30 ARG HDy 1.0 . 4.15 307 282 A 30 ARG HBy A 30 ARG HDx 1.0 . 3.05 308 282 A 30 ARG HBy A 30 ARG HDy 1.0 . 3.05 309 283 A 42 ARG HBx A 42 ARG HDx 1.0 . 4.12 310 283 A 42 ARG HBx A 42 ARG HDy 1.0 . 4.12 311 284 A 42 ARG HBy A 42 ARG HDx 1.0 . 4.00 312 284 A 42 ARG HBy A 42 ARG HDy 1.0 . 4.00 313 285 A 22 GLU HA A 52 PHE HB2 1.0 . 5.50 314 286 A 34 LEU HD2% A 34 LEU HBx 1.0 . 3.75 315 287 A 48 ASN HB2 A 49 LYS HEx 1.0 . 5.08 316 287 A 48 ASN HB2 A 49 LYS HEy 1.0 . 5.08 317 288 A 25 ILE HB A 31 LEU HG 1.0 . 5.47 318 289 A 25 ILE HD1% A 25 ILE HB 1.0 . 3.10 319 290 A 39 SER HBy A 38 LYS HEx 1.0 . 5.50 320 290 A 38 LYS HEy A 39 SER HBy 1.0 . 5.50 321 291 A 39 SER HBx A 38 LYS HEx 1.0 . 5.50 322 291 A 38 LYS HEy A 39 SER HBx 1.0 . 5.50 323 292 A 27 LYS HEx A 27 LYS HGx 1.0 . 3.41 324 292 A 27 LYS HGy A 27 LYS HEx 1.0 . 3.41 325 292 A 27 LYS HGy A 27 LYS HEy 1.0 . 3.41 326 292 A 27 LYS HEy A 27 LYS HGx 1.0 . 3.41 327 293 A 28 ASN HA A 27 LYS HEx 1.0 . 5.50 328 293 A 28 ASN HA A 27 LYS HEy 1.0 . 5.50 329 294 A 27 LYS HBy A 27 LYS HEx 1.0 . 5.50 330 294 A 27 LYS HBy A 27 LYS HEy 1.0 . 5.50 331 295 A 27 LYS HBx A 27 LYS HEx 1.0 . 5.50 332 295 A 27 LYS HBx A 27 LYS HEy 1.0 . 5.50 333 296 A 15 TYR HBx A 25 ILE HG1x 1.0 . 3.46 334 297 A 15 TYR HBx A 25 ILE HG1y 1.0 . 3.10 335 298 A 25 ILE HD1% A 14 ASP HB2 1.0 . 5.50 336 299 A 31 LEU HD1% A 45 ASN HBx 1.0 . 3.82 337 300 A 45 ASN HA A 45 ASN HBy 1.0 . 3.03 338 301 A 23 LEU HD2% A 45 ASN HBy 1.0 . 5.50 339 302 A 33 LEU HD1% A 36 ASP HBx 1.0 . 5.50 340 303 A 30 ARG HA A 29 GLU HGx 1.0 . 5.35 341 303 A 30 ARG HA A 29 GLU HGy 1.0 . 5.35 342 304 A 43 VAL HB A 31 LEU HBy 1.0 . 4.87 343 305 A 26 LYS HDy A 29 GLU HGx 1.0 . 5.50 344 305 A 26 LYS HDx A 29 GLU HGx 1.0 . 5.50 345 305 A 29 GLU HGy A 26 LYS HDx 1.0 . 5.50 346 305 A 29 GLU HGy A 26 LYS HDy 1.0 . 5.50 347 306 A 30 ARG HBx A 29 GLU HGx 1.0 . 5.50 348 306 A 30 ARG HBx A 29 GLU HGy 1.0 . 5.50 349 307 A 11 ALA HB% A 29 GLU HGx 1.0 . 4.92 350 307 A 11 ALA HB% A 29 GLU HGy 1.0 . 4.92 351 308 A 10 VAL HGy% A 59 GLU HGx 1.0 . 4.96 352 308 A 10 VAL HGx% A 59 GLU HGx 1.0 . 4.96 353 308 A 59 GLU HGy A 10 VAL HGx% 1.0 . 4.96 354 308 A 10 VAL HGy% A 59 GLU HGy 1.0 . 4.96 355 309 A 58 VAL HG2% A 59 GLU HGx 1.0 . 5.50 356 309 A 59 GLU HGy A 58 VAL HG2% 1.0 . 5.50 357 310 A 58 VAL HB A 59 GLU HGx 1.0 . 4.83 358 310 A 59 GLU HGy A 58 VAL HB 1.0 . 4.83 359 311 A 25 ILE HG1y A 58 VAL HB 1.0 . 5.50 360 312 A 58 VAL HB A 31 LEU HG 1.0 . 5.50 361 313 A 25 ILE HD1% A 58 VAL HB 1.0 . 3.64 362 314 A 34 LEU HD2% A 44 ARG HB2 1.0 . 3.54 363 315 A 44 ARG HB2 A 32 TRP HBx 1.0 . 4.80 364 315 A 32 TRP HBy A 44 ARG HB2 1.0 . 4.80 365 316 A 44 ARG HB3 A 32 TRP HBx 1.0 . 4.24 366 316 A 32 TRP HBy A 44 ARG HB3 1.0 . 4.24 367 317 A 29 GLU HGy A 26 LYS HBy 1.0 . 5.50 368 317 A 26 LYS HBy A 29 GLU HGx 1.0 . 5.50 369 318 A 29 GLU HGy A 26 LYS HBx 1.0 . 5.50 370 318 A 26 LYS HBx A 29 GLU HGx 1.0 . 5.50 371 319 A 18 GLN HBy A 18 GLN HGy 1.0 . 2.97 372 320 A 18 GLN HGy A 18 GLN HBx 1.0 . 2.97 373 321 A 21 GLN HA A 21 GLN HGx 1.0 . 3.53 374 321 A 21 GLN HGy A 21 GLN HA 1.0 . 3.53 375 322 A 59 GLU HGy A 59 GLU HBy 1.0 . 2.61 376 322 A 59 GLU HBy A 59 GLU HGx 1.0 . 2.61 377 323 A 25 ILE HG2% A 53 VAL HB 1.0 . 5.50 378 324 A 59 GLU HGy A 59 GLU HBx 1.0 . 2.61 379 324 A 59 GLU HBx A 59 GLU HGx 1.0 . 2.61 380 325 A 58 VAL HG1% A 53 VAL HB 1.0 . 3.77 381 326 A 61 LYS HGy A 61 LYS HBx 1.0 . 2.78 382 326 A 61 LYS HBx A 61 LYS HGx 1.0 . 2.78 383 327 A 8 VAL HB A 30 ARG HBy 1.0 . 4.60 384 328 A 25 ILE HD1% A 29 GLU HBy 1.0 . 5.50 385 329 A 31 LEU HD1% A 29 GLU HBy 1.0 . 5.50 386 330 A 43 VAL HG1% A 42 ARG HBx 1.0 . 5.50 387 331 A 42 ARG HBx A 43 VAL HG2% 1.0 . 5.50 388 332 A 25 ILE HD1% A 29 GLU HBx 1.0 . 5.50 389 333 A 34 LEU HD1% A 32 TRP HBx 1.0 . 5.50 390 333 A 32 TRP HBy A 34 LEU HD1% 1.0 . 5.50 391 334 A 18 GLN HBy A 18 GLN HGx 1.0 . 2.97 392 335 A 18 GLN HBx A 18 GLN HGx 1.0 . 2.97 393 336 A 5 GLU HGy A 5 GLU HBy 1.0 . 2.76 394 336 A 5 GLU HBy A 5 GLU HGx 1.0 . 2.76 395 337 A 5 GLU HGy A 5 GLU HBx 1.0 . 2.76 396 337 A 5 GLU HBx A 5 GLU HGx 1.0 . 2.76 397 338 A 20 GLU HBx A 20 GLU HGx 1.0 . 2.40 398 338 A 20 GLU HBy A 20 GLU HGx 1.0 . 2.40 399 338 A 20 GLU HGy A 20 GLU HBx 1.0 . 2.40 400 338 A 20 GLU HBy A 20 GLU HGy 1.0 . 2.40 401 339 A 61 LYS HA A 61 LYS HDx 1.0 . 4.49 402 339 A 61 LYS HA A 61 LYS HDy 1.0 . 4.49 403 340 A 49 LYS HA A 49 LYS HDx 1.0 . 4.43 404 340 A 49 LYS HA A 49 LYS HDy 1.0 . 4.43 405 341 A 61 LYS HDy A 61 LYS HGx 1.0 . 2.40 406 341 A 61 LYS HDx A 61 LYS HGx 1.0 . 2.40 407 341 A 61 LYS HGy A 61 LYS HDx 1.0 . 2.40 408 341 A 61 LYS HGy A 61 LYS HDy 1.0 . 2.40 409 342 A 30 ARG HBy A 30 ARG HGx 1.0 . 2.71 410 343 A 34 LEU HD2% A 44 ARG HGx 1.0 . 5.23 411 344 A 34 LEU HG A 32 TRP HBx 1.0 . 5.50 412 344 A 34 LEU HG A 32 TRP HBy 1.0 . 5.50 413 345 A 44 ARG HB2 A 44 ARG HGx 1.0 . 2.40 414 346 A 43 VAL HG1% A 33 LEU HG 1.0 . 4.07 415 347 A 31 LEU HD2% A 29 GLU HGx 1.0 . 4.49 416 347 A 29 GLU HGy A 31 LEU HD2% 1.0 . 4.49 417 348 A 31 LEU HD2% A 25 ILE HB 1.0 . 4.24 418 349 A 11 ALA HB% A 31 LEU HD2% 1.0 . 2.43 419 350 A 31 LEU HBx A 31 LEU HD2% 1.0 . 3.20 420 351 A 31 LEU HD2% A 31 LEU HBy 1.0 . 2.80 421 352 A 31 LEU HD2% A 30 ARG HGx 1.0 . 5.50 422 353 A 31 LEU HD2% A 30 ARG HGy 1.0 . 5.02 423 354 A 31 LEU HD2% A 53 VAL HG1% 1.0 . 4.34 424 355 A 31 LEU HD2% A 58 VAL HG1% 1.0 . 3.61 425 356 A 8 VAL HG1% A 31 LEU HD2% 1.0 . 5.04 426 357 A 11 ALA HA A 31 LEU HD2% 1.0 . 5.50 427 358 A 30 ARG HA A 31 LEU HD2% 1.0 . 5.50 428 359 A 25 ILE HG1y A 54 PRO HGx 1.0 . 5.50 429 360 A 50 THR HG2% A 23 LEU HD2% 1.0 . 5.50 430 361 A 53 VAL HG1% A 23 LEU HD2% 1.0 . 5.50 431 362 A 25 ILE HG2% A 23 LEU HD2% 1.0 . 4.29 432 363 A 25 ILE HG2% A 23 LEU HG 1.0 . 4.95 433 364 A 33 LEU HB2 A 34 LEU HD1% 1.0 . 5.50 434 365 A 34 LEU HD1% A 33 LEU HG 1.0 . 5.50 435 366 A 43 VAL HA A 34 LEU HD1% 1.0 . 5.50 436 367 A 50 THR HG2% A 34 LEU HD1% 1.0 . 4.89 437 368 A 23 LEU HD2% A 45 ASN HBx 1.0 . 5.50 438 369 A 31 LEU HG A 23 LEU HG 1.0 . 5.50 439 370 A 31 LEU HD1% A 45 ASN HBy 1.0 . 3.82 440 371 A 31 LEU HD1% A 30 ARG HGx 1.0 . 4.55 441 372 A 31 LEU HD1% A 30 ARG HGy 1.0 . 4.07 442 373 A 31 LEU HD1% A 25 ILE HG1x 1.0 . 5.50 443 374 A 31 LEU HD1% A 29 GLU HGx 1.0 . 3.53 444 374 A 31 LEU HD1% A 29 GLU HGy 1.0 . 3.53 445 375 A 31 LEU HD1% A 29 GLU HBx 1.0 . 5.50 446 376 A 31 LEU HD1% A 43 VAL HB 1.0 . 5.50 447 377 A 31 LEU HD1% A 31 LEU HBy 1.0 . 3.24 448 378 A 31 LEU HD1% A 23 LEU HD2% 1.0 . 4.75 449 379 A 8 VAL HG1% A 31 LEU HD1% 1.0 . 4.98 450 380 A 26 LYS HGy A 26 LYS HBy 1.0 . 2.62 451 380 A 26 LYS HBy A 26 LYS HGx 1.0 . 2.62 452 381 A 26 LYS HGy A 26 LYS HBx 1.0 . 2.62 453 381 A 26 LYS HBx A 26 LYS HGx 1.0 . 2.62 454 382 A 26 LYS HDy A 26 LYS HGx 1.0 . 2.77 455 382 A 26 LYS HDx A 26 LYS HGx 1.0 . 2.77 456 382 A 26 LYS HGy A 26 LYS HDx 1.0 . 2.77 457 382 A 26 LYS HGy A 26 LYS HDy 1.0 . 2.77 458 383 A 27 LYS HBx A 26 LYS HGx 1.0 . 3.47 459 383 A 26 LYS HGy A 27 LYS HBx 1.0 . 3.47 460 384 A 26 LYS HGx A 29 GLU HGx 1.0 . 5.50 461 384 A 26 LYS HGy A 29 GLU HGx 1.0 . 5.50 462 384 A 29 GLU HGy A 26 LYS HGx 1.0 . 5.50 463 384 A 29 GLU HGy A 26 LYS HGy 1.0 . 5.50 464 385 A 61 LYS HGy A 61 LYS HBy 1.0 . 2.78 465 385 A 61 LYS HBy A 61 LYS HGx 1.0 . 2.78 466 386 A 27 LYS HDx A 27 LYS HGx 1.0 . 2.50 467 386 A 27 LYS HDy A 27 LYS HGx 1.0 . 2.50 468 386 A 27 LYS HGy A 27 LYS HDx 1.0 . 2.50 469 386 A 27 LYS HGy A 27 LYS HDy 1.0 . 2.50 470 387 A 27 LYS HBy A 27 LYS HGx 1.0 . 2.76 471 387 A 27 LYS HGy A 27 LYS HBy 1.0 . 2.76 472 388 A 27 LYS HBx A 27 LYS HGx 1.0 . 3.03 473 388 A 27 LYS HBx A 27 LYS HGy 1.0 . 3.03 474 389 A 11 ALA HB% A 31 LEU HD1% 1.0 . 3.96 475 390 A 33 LEU HD1% A 31 LEU HBx 1.0 . 5.50 476 391 A 33 LEU HD1% A 32 TRP HA 1.0 . 5.50 477 392 A 25 ILE HB A 23 LEU HD1% 1.0 . 5.50 478 393 A 23 LEU HA A 23 LEU HD1% 1.0 . 3.35 479 394 A 23 LEU HD1% A 49 LYS HB3 1.0 . 5.50 480 395 A 23 LEU HD1% A 49 LYS HB2 1.0 . 5.50 481 396 A 23 LEU HD1% A 53 VAL HB 1.0 . 5.50 482 397 A 31 LEU HBx A 23 LEU HD1% 1.0 . 5.50 483 398 A 53 VAL HG1% A 23 LEU HD1% 1.0 . 5.50 484 399 A 33 LEU HD1% A 36 ASP HBy 1.0 . 5.50 485 400 A 23 LEU HD1% A 31 LEU HG 1.0 . 5.50 486 401 A 33 LEU HD1% A 33 LEU HB2 1.0 . 3.51 487 402 A 43 VAL HG1% A 33 LEU HD1% 1.0 . 2.96 488 403 A 33 LEU HD1% A 41 TRP HB3 1.0 . 3.77 489 404 A 33 LEU HD1% A 41 TRP HB2 1.0 . 5.50 490 405 A 17 ALA HB% A 53 VAL HG1% 1.0 . 5.07 491 406 A 53 VAL HG1% A 31 LEU HBy 1.0 . 5.50 492 407 A 25 ILE HB A 53 VAL HG1% 1.0 . 5.50 493 408 A 53 VAL HG1% A 58 VAL HB 1.0 . 5.50 494 409 A 23 LEU HBx A 53 VAL HG1% 1.0 . 4.20 495 410 A 53 VAL HG1% A 23 LEU HBy 1.0 . 3.48 496 411 A 53 VAL HG1% A 23 LEU HG 1.0 . 5.15 497 412 A 9 VAL HG1% A 61 LYS HBy 1.0 . 5.50 498 413 A 9 VAL HG1% A 33 LEU HB2 1.0 . 3.56 499 414 A 33 LEU HD1% A 9 VAL HG1% 1.0 . 4.32 500 415 A 9 VAL HG1% A 61 LYS HBx 1.0 . 5.50 501 416 A 9 VAL HG1% A 61 LYS HDx 1.0 . 5.50 502 416 A 9 VAL HG1% A 61 LYS HDy 1.0 . 5.50 503 417 A 25 ILE HG1y A 53 VAL HG1% 1.0 . 4.84 504 418 A 53 VAL HG1% A 31 LEU HG 1.0 . 5.44 505 419 A 34 LEU HD2% A 34 LEU HA 1.0 . 3.69 506 420 A 34 LEU HD2% A 44 ARG HB3 1.0 . 5.50 507 421 A 34 LEU HD2% A 34 LEU HBy 1.0 . 3.75 508 422 A 34 LEU HD2% A 31 LEU HBx 1.0 . 5.50 509 423 A 34 LEU HD2% A 44 ARG HGy 1.0 . 5.50 510 424 A 43 VAL HG1% A 34 LEU HD2% 1.0 . 3.42 511 425 A 34 LEU HD2% A 32 TRP HBx 1.0 . 4.66 512 425 A 34 LEU HD2% A 32 TRP HBy 1.0 . 4.66 513 426 A 34 LEU HD2% A 50 THR HG2% 1.0 . 3.82 514 427 A 34 LEU HD2% A 33 LEU HD1% 1.0 . 3.73 515 428 A 31 LEU HBy A 58 VAL HG1% 1.0 . 5.50 516 429 A 11 ALA HA A 58 VAL HG1% 1.0 . 3.54 517 430 A 11 ALA HB% A 58 VAL HG1% 1.0 . 3.40 518 431 A 25 ILE HD1% A 58 VAL HG1% 1.0 . 2.40 519 432 A 23 LEU HA A 50 THR HG2% 1.0 . 5.50 520 433 A 50 THR HG2% A 44 ARG HB2 1.0 . 5.50 521 434 A 43 VAL HG1% A 44 ARG HB3 1.0 . 5.50 522 435 A 43 VAL HG1% A 33 LEU HB2 1.0 . 4.34 523 436 A 43 VAL HG1% A 53 VAL HG1% 1.0 . 4.11 524 437 A 8 VAL HG2% A 9 VAL HG2% 1.0 . 4.38 525 438 A 8 VAL HG2% A 30 ARG HGx 1.0 . 4.09 526 439 A 43 VAL HG1% A 31 LEU HBy 1.0 . 4.29 527 440 A 7 VAL HA A 7 VAL HGx% 1.0 . 3.83 528 441 A 8 VAL HG2% A 8 VAL HA 1.0 . 2.85 529 442 A 46 SER HA A 46 SER HBx 1.0 . 2.60 530 442 A 46 SER HBy A 46 SER HA 1.0 . 2.60 531 443 A 37 SER HA A 37 SER HBx 1.0 . 2.46 532 443 A 37 SER HBy A 37 SER HA 1.0 . 2.46 533 444 A 16 VAL HA A 16 VAL HG1% 1.0 . 2.66 534 445 A 16 VAL HA A 16 VAL HG2% 1.0 . 2.79 535 446 A 10 VAL HA A 30 ARG HGy 1.0 . 5.50 536 447 A 25 ILE HA A 29 GLU HGx 1.0 . 4.55 537 447 A 29 GLU HGy A 25 ILE HA 1.0 . 4.55 538 448 A 25 ILE HA A 25 ILE HB 1.0 . 2.58 539 449 A 25 ILE HA A 25 ILE HG2% 1.0 . 2.61 540 450 A 10 VAL HA A 10 VAL HB 1.0 . 2.88 541 451 A 10 VAL HA A 30 ARG HA 1.0 . 2.62 542 452 A 10 VAL HA A 30 ARG HBy 1.0 . 5.21 543 453 A 10 VAL HA A 10 VAL HGx% 1.0 . 2.40 544 453 A 10 VAL HA A 10 VAL HGy% 1.0 . 2.40 545 454 A 10 VAL HA A 31 LEU HA 1.0 . 5.50 546 455 A 50 THR HA A 23 LEU HBy 1.0 . 5.44 547 456 A 10 VAL HA A 11 ALA HB% 1.0 . 4.11 548 457 A 20 GLU HA A 20 GLU HBx 1.0 . 2.55 549 457 A 20 GLU HBy A 20 GLU HA 1.0 . 2.55 550 458 A 20 GLU HA A 20 GLU HGx 1.0 . 3.10 551 458 A 20 GLU HGy A 20 GLU HA 1.0 . 3.10 552 459 A 50 THR HA A 50 THR HG2% 1.0 . 3.07 553 460 A 15 TYR HA A 15 TYR HD% 1.0 . 3.04 554 461 A 57 TYR HD% A 57 TYR HA 1.0 . 4.42 555 462 A 27 LYS HA A 27 LYS HBy 1.0 . 2.40 556 463 A 27 LYS HA A 27 LYS HGx 1.0 . 2.57 557 463 A 27 LYS HA A 27 LYS HGy 1.0 . 2.57 558 464 A 43 VAL HA A 33 LEU HA 1.0 . 3.04 559 465 A 43 VAL HA A 43 VAL HB 1.0 . 2.67 560 466 A 43 VAL HA A 34 LEU HG 1.0 . 5.06 561 467 A 43 VAL HA A 44 ARG HB2 1.0 . 5.38 562 468 A 43 VAL HG1% A 43 VAL HA 1.0 . 2.85 563 469 A 58 VAL HA A 25 ILE HG1y 1.0 . 5.50 564 470 A 58 VAL HA A 58 VAL HB 1.0 . 2.78 565 471 A 9 VAL HG1% A 32 TRP HA 1.0 . 4.46 566 472 A 58 VAL HA A 58 VAL HG1% 1.0 . 2.81 567 473 A 58 VAL HA A 11 ALA HA 1.0 . 2.45 568 474 A 9 VAL HA A 61 LYS HEx 1.0 . 5.38 569 474 A 9 VAL HA A 61 LYS HEy 1.0 . 5.38 570 475 A 32 TRP HA A 8 VAL HA 1.0 . 2.72 571 476 A 32 TRP HA A 32 TRP HBx 1.0 . 2.64 572 476 A 32 TRP HA A 32 TRP HBy 1.0 . 2.64 573 477 A 33 LEU HA A 32 TRP HA 1.0 . 4.55 574 478 A 8 VAL HG2% A 32 TRP HA 1.0 . 5.38 575 479 A 9 VAL HA A 9 VAL HB 1.0 . 2.76 576 480 A 9 VAL HG1% A 9 VAL HA 1.0 . 2.86 577 481 A 33 LEU HB3 A 9 VAL HA 1.0 . 5.50 578 482 A 52 PHE HB2 A 53 VAL HA 1.0 . 5.06 579 483 A 53 VAL HA A 54 PRO HDx 1.0 . 2.94 580 484 A 23 LEU HD1% A 53 VAL HA 1.0 . 5.50 581 485 A 58 VAL HG2% A 53 VAL HA 1.0 . 5.50 582 486 A 53 VAL HG1% A 53 VAL HA 1.0 . 3.06 583 487 A 29 GLU HA A 29 GLU HGx 1.0 . 2.85 584 487 A 29 GLU HA A 29 GLU HGy 1.0 . 2.85 585 488 A 11 ALA HB% A 29 GLU HA 1.0 . 5.39 586 489 A 30 ARG HA A 29 GLU HA 1.0 . 5.14 587 490 A 23 LEU HBx A 53 VAL HA 1.0 . 4.37 588 491 A 15 TYR HE% A 53 VAL HA 1.0 . 3.89 589 492 A 15 TYR HD% A 53 VAL HA 1.0 . 4.43 590 493 A 23 LEU HBy A 53 VAL HA 1.0 . 5.50 591 494 A 60 ARG HA A 61 LYS HGx 1.0 . 5.29 592 494 A 60 ARG HA A 61 LYS HGy 1.0 . 5.29 593 495 A 9 VAL HG1% A 60 ARG HA 1.0 . 3.23 594 496 A 60 ARG HA A 61 LYS HA 1.0 . 5.27 595 497 A 41 TRP HB2 A 42 ARG HA 1.0 . 5.37 596 498 A 28 ASN HA A 10 VAL HGx% 1.0 . 2.55 597 498 A 10 VAL HGy% A 28 ASN HA 1.0 . 2.55 598 499 A 42 ARG HA A 42 ARG HDx 1.0 . 4.10 599 499 A 42 ARG HA A 42 ARG HDy 1.0 . 4.10 600 500 A 33 LEU HA A 33 LEU HD1% 1.0 . 3.33 601 501 A 35 ASP HA A 34 LEU HA 1.0 . 5.41 602 502 A 35 ASP HA A 33 LEU HG 1.0 . 4.87 603 503 A 42 ARG HA A 42 ARG HGy 1.0 . 3.92 604 504 A 42 ARG HA A 42 ARG HGx 1.0 . 3.92 605 505 A 49 LYS HA A 44 ARG HGx 1.0 . 5.41 606 506 A 43 VAL HG1% A 33 LEU HA 1.0 . 3.14 607 507 A 52 PHE HE% A 42 ARG HA 1.0 . 5.34 608 508 A 18 GLN HA A 18 GLN HGy 1.0 . 3.32 609 509 A 18 GLN HA A 18 GLN HGx 1.0 . 3.32 610 510 A 25 ILE HD1% A 14 ASP HA 1.0 . 4.00 611 511 A 44 ARG HGy A 48 ASN HA 1.0 . 3.91 612 512 A 14 ASP HA A 26 LYS HDx 1.0 . 4.41 613 512 A 14 ASP HA A 26 LYS HDy 1.0 . 4.41 614 513 A 48 ASN HA A 48 ASN HB3 1.0 . 2.55 615 514 A 14 ASP HA A 26 LYS HA 1.0 . 2.40 616 515 A 14 ASP HA A 14 ASP HB3 1.0 . 2.40 617 516 A 41 TRP HA A 41 TRP HD1 1.0 . 2.64 618 517 A 41 TRP HB3 A 41 TRP HA 1.0 . 2.82 619 518 A 13 PHE HA A 13 PHE HD% 1.0 . 3.73 620 519 A 59 GLU HA A 59 GLU HGx 1.0 . 3.04 621 519 A 59 GLU HA A 59 GLU HGy 1.0 . 3.04 622 520 A 24 ASP HA A 16 VAL HA 1.0 . 4.13 623 521 A 24 ASP HA A 24 ASP HBy 1.0 . 2.73 624 522 A 24 ASP HA A 24 ASP HBx 1.0 . 2.73 625 523 A 24 ASP HA A 17 ALA HB% 1.0 . 4.03 626 524 A 13 PHE HA A 57 TYR HD% 1.0 . 4.86 627 525 A 56 ASN HA A 57 TYR HD% 1.0 . 5.40 628 526 A 44 ARG HA A 50 THR HG2% 1.0 . 4.92 629 527 A 50 THR HA A 44 ARG HA 1.0 . 2.95 630 528 A 44 ARG HA A 23 LEU HD1% 1.0 . 5.50 631 529 A 31 LEU HA A 31 LEU HG 1.0 . 3.65 632 530 A 13 PHE HA A 13 PHE HB3 1.0 . 2.71 633 531 A 27 LYS HA A 13 PHE HA 1.0 . 2.83 634 532 A 13 PHE HA A 27 LYS HDx 1.0 . 3.43 635 532 A 27 LYS HDy A 13 PHE HA 1.0 . 3.43 636 533 A 44 ARG HA A 43 VAL HB 1.0 . 5.30 637 534 A 44 ARG HA A 44 ARG HGy 1.0 . 2.95 638 535 A 31 LEU HA A 30 ARG HGx 1.0 . 5.45 639 536 A 31 LEU HA A 30 ARG HGy 1.0 . 5.50 640 537 A 13 PHE HA A 27 LYS HGx 1.0 . 3.93 641 537 A 27 LYS HGy A 13 PHE HA 1.0 . 3.93 642 538 A 62 ASN HA A 63 SER HA 1.0 . 4.43 643 539 A 13 PHE HA A 27 LYS HBy 1.0 . 2.46 644 540 A 13 PHE HA A 12 LYS HA 1.0 . 5.04 645 541 A 62 ASN HA A 63 SER HBx 1.0 . 5.38 646 541 A 62 ASN HA A 63 SER HBy 1.0 . 5.38 647 542 A 43 VAL HG2% A 23 LEU HA 1.0 . 5.42 648 543 A 17 ALA HB% A 19 GLN HA 1.0 . 4.99 649 544 A 31 LEU HA A 45 ASN HA 1.0 . 2.78 650 545 A 31 LEU HD1% A 31 LEU HA 1.0 . 2.84 651 546 A 31 LEU HD2% A 31 LEU HA 1.0 . 3.57 652 547 A 18 GLN HA A 17 ALA HA 1.0 . 5.22 653 548 A 11 ALA HB% A 26 LYS HA 1.0 . 4.58 654 549 A 26 LYS HA A 26 LYS HDx 1.0 . 2.40 655 549 A 26 LYS HA A 26 LYS HDy 1.0 . 2.40 656 550 A 26 LYS HA A 26 LYS HGx 1.0 . 2.91 657 550 A 26 LYS HGy A 26 LYS HA 1.0 . 2.91 658 551 A 43 VAL HB A 31 LEU HA 1.0 . 5.31 659 552 A 11 ALA HA A 58 VAL HB 1.0 . 4.03 660 553 A 36 ASP HA A 41 TRP HD1 1.0 . 4.01 661 554 A 36 ASP HA A 36 ASP HBy 1.0 . 2.93 662 555 A 36 ASP HA A 36 ASP HBx 1.0 . 2.93 663 556 A 45 ASN HA A 45 ASN HBx 1.0 . 3.03 664 557 A 31 LEU HD1% A 45 ASN HA 1.0 . 2.53 665 558 A 53 VAL HA A 54 PRO HDy 1.0 . 2.94 666 559 A 43 VAL HA A 34 LEU HD2% 1.0 . 5.25 667 560 A 43 VAL HG1% A 41 TRP HB2 1.0 . 5.50 668 561 A 7 VAL HA A 7 VAL HGy% 1.0 . 3.83 669 562 A 43 VAL HG1% A 33 LEU HB3 1.0 . 4.94 670 563 A 9 VAL HB A 10 VAL HGx% 1.0 . 4.00 671 563 A 10 VAL HGy% A 9 VAL HB 1.0 . 4.00 672 564 A 8 VAL HG1% A 9 VAL HG2% 1.0 . 3.44 673 565 A 8 VAL HG2% A 32 TRP HD1 1.0 . 4.73 674 566 A 8 VAL HG2% A 32 TRP HBx 1.0 . 5.50 675 566 A 8 VAL HG2% A 32 TRP HBy 1.0 . 5.50 676 567 A 8 VAL HG1% A 30 ARG HGx 1.0 . 3.47 677 568 A 43 VAL HG1% A 41 TRP HB3 1.0 . 5.50 678 569 A 30 ARG HA A 10 VAL HGx% 1.0 . 3.24 679 569 A 10 VAL HGy% A 30 ARG HA 1.0 . 3.24 680 570 A 11 ALA HB% A 10 VAL HGx% 1.0 . 3.58 681 570 A 11 ALA HB% A 10 VAL HGy% 1.0 . 3.58 682 571 A 10 VAL HGy% A 30 ARG HDx 1.0 . 5.50 683 571 A 10 VAL HGx% A 30 ARG HDx 1.0 . 5.50 684 571 A 30 ARG HDy A 10 VAL HGx% 1.0 . 5.50 685 571 A 10 VAL HGy% A 30 ARG HDy 1.0 . 5.50 686 572 A 8 VAL HG1% A 9 VAL HA 1.0 . 5.50 687 573 A 10 VAL HA A 8 VAL HG1% 1.0 . 5.50 688 574 A 8 VAL HG1% A 30 ARG HA 1.0 . 5.50 689 575 A 8 VAL HG1% A 30 ARG HBx 1.0 . 3.50 690 576 A 8 VAL HG1% A 30 ARG HBy 1.0 . 3.48 691 577 A 8 VAL HG1% A 31 LEU HBx 1.0 . 5.43 692 578 A 15 TYR HA A 16 VAL HG2% 1.0 . 5.50 693 579 A 11 ALA HB% A 27 LYS HA 1.0 . 3.50 694 580 A 11 ALA HB% A 29 GLU HBx 1.0 . 4.19 695 581 A 11 ALA HB% A 25 ILE HB 1.0 . 3.18 696 582 A 11 ALA HB% A 25 ILE HG1x 1.0 . 4.11 697 583 A 11 ALA HB% A 31 LEU HG 1.0 . 4.25 698 584 A 17 ALA HB% A 15 TYR HE% 1.0 . 5.50 699 585 A 17 ALA HB% A 22 GLU HBy 1.0 . 3.76 700 586 A 17 ALA HB% A 22 GLU HBx 1.0 . 3.76 701 587 A 43 VAL HG2% A 23 LEU HD1% 1.0 . 2.82 702 588 A 25 ILE HG1y A 58 VAL HG2% 1.0 . 5.50 703 589 A 9 VAL HG2% A 30 ARG HBy 1.0 . 5.50 704 590 A 31 LEU HBx A 9 VAL HG2% 1.0 . 3.55 705 591 A 9 VAL HG2% A 31 LEU HBy 1.0 . 3.05 706 592 A 9 VAL HG2% A 33 LEU HB2 1.0 . 4.26 707 593 A 43 VAL HG1% A 9 VAL HG2% 1.0 . 2.79 708 594 A 9 VAL HG2% A 31 LEU HD2% 1.0 . 3.07 709 595 A 33 LEU HD1% A 9 VAL HG2% 1.0 . 3.10 710 596 A 11 ALA HB% A 29 GLU HBy 1.0 . 4.19 711 597 A 17 ALA HB% A 25 ILE HG2% 1.0 . 4.78 712 598 A 17 ALA HB% A 16 VAL HG1% 1.0 . 3.80 713 599 A 43 VAL HG2% A 53 VAL HB 1.0 . 5.50 714 600 A 43 VAL HG2% A 31 LEU HBy 1.0 . 3.88 715 601 A 53 VAL HG1% A 43 VAL HG2% 1.0 . 2.76 716 602 A 43 VAL HG2% A 53 VAL HG2% 1.0 . 2.64 717 603 A 43 VAL HG2% A 23 LEU HD2% 1.0 . 4.21 718 604 A 33 LEU HD1% A 43 VAL HG2% 1.0 . 4.42 719 605 A 58 VAL HG2% A 15 TYR HD% 1.0 . 5.50 720 606 A 9 VAL HG2% A 41 TRP HZ3 1.0 . 5.50 721 607 A 43 VAL HA A 9 VAL HG2% 1.0 . 5.50 722 608 A 9 VAL HG2% A 32 TRP HA 1.0 . 5.50 723 609 A 11 ALA HB% A 58 VAL HG2% 1.0 . 4.97 724 610 A 25 ILE HG2% A 23 LEU HD1% 1.0 . 2.81 725 611 A 23 LEU HBx A 43 VAL HG2% 1.0 . 3.85 726 612 A 25 ILE HG1y A 43 VAL HG2% 1.0 . 5.50 727 613 A 42 ARG HBy A 43 VAL HG2% 1.0 . 5.50 728 614 A 43 VAL HG2% A 44 ARG HB2 1.0 . 5.50 729 615 A 23 LEU HBx A 25 ILE HG2% 1.0 . 3.14 730 616 A 53 VAL HG1% A 25 ILE HG2% 1.0 . 3.00 731 617 A 31 LEU HBx A 43 VAL HG2% 1.0 . 3.23 732 618 A 25 ILE HG1y A 25 ILE HG2% 1.0 . 2.94 733 619 A 25 ILE HG2% A 31 LEU HG 1.0 . 3.14 734 620 A 11 ALA HA A 25 ILE HG2% 1.0 . 5.50 735 621 A 31 LEU HD2% A 53 VAL HG2% 1.0 . 4.08 736 622 A 25 ILE HD1% A 57 TYR HD% 1.0 . 5.50 737 623 A 11 ALA HA A 25 ILE HD1% 1.0 . 5.36 738 624 A 15 TYR HBx A 25 ILE HD1% 1.0 . 3.03 739 625 A 25 ILE HD1% A 31 LEU HBy 1.0 . 5.50 740 626 A 25 ILE HD1% A 31 LEU HD2% 1.0 . 2.84 741 627 A 25 ILE HD1% A 57 TYR HBx 1.0 . 5.05 742 628 A 27 LYS HA A 25 ILE HD1% 1.0 . 5.50 743 629 A 11 ALA HB% A 25 ILE HD1% 1.0 . 2.83 744 630 A 25 ILE HD1% A 53 VAL HG1% 1.0 . 4.01 745 631 A 25 ILE HD1% A 54 PRO HGx 1.0 . 5.50 746 632 A 25 ILE HD1% A 26 LYS HA 1.0 . 5.50 747 633 A 58 VAL HA A 25 ILE HD1% 1.0 . 5.50 748 634 A 33 LEU HD1% A 53 VAL HG2% 1.0 . 4.40 749 635 A 33 LEU HD2% A 41 TRP HH2 1.0 . 5.50 750 636 A 41 TRP HZ3 A 33 LEU HD2% 1.0 . 4.56 751 637 A 33 LEU HA A 33 LEU HD2% 1.0 . 4.36 752 638 A 36 ASP HA A 33 LEU HD2% 1.0 . 5.11 753 639 A 33 LEU HD2% A 60 ARG HDx 1.0 . 5.50 754 639 A 60 ARG HDy A 33 LEU HD2% 1.0 . 5.50 755 640 A 33 LEU HB3 A 33 LEU HD2% 1.0 . 3.27 756 641 A 33 LEU HB2 A 33 LEU HD2% 1.0 . 3.40 757 642 A 9 VAL HG1% A 33 LEU HD2% 1.0 . 3.04 758 643 A 43 VAL HG1% A 33 LEU HD2% 1.0 . 3.50 759 644 A 9 VAL HG2% A 33 LEU HD2% 1.0 . 3.38 760 645 A 57 TYR HA A 54 PRO HGy 1.0 . 5.00 761 646 A 25 ILE HG1x A 54 PRO HGy 1.0 . 5.50 762 647 A 15 TYR HE% A 54 PRO HGy 1.0 . 5.18 763 648 A 13 PHE HD% A 57 TYR HA 1.0 . 3.68 764 649 A 8 VAL HA A 32 TRP HD1 1.0 . 4.76 765 650 A 52 PHE HA A 52 PHE HD% 1.0 . 3.60 766 651 A 52 PHE HE% A 42 ARG HBx 1.0 . 5.17 767 652 A 52 PHE HE% A 42 ARG HBy 1.0 . 3.72 768 653 A 41 TRP HB3 A 41 TRP HD1 1.0 . 3.91 769 654 A 41 TRP HB2 A 41 TRP HD1 1.0 . 3.91 770 655 A 41 TRP HD1 A 36 ASP HBy 1.0 . 5.22 771 656 A 41 TRP HD1 A 36 ASP HBx 1.0 . 5.22 772 657 A 53 VAL HG2% A 41 TRP HD1 1.0 . 5.50 773 658 A 33 LEU HD1% A 41 TRP HD1 1.0 . 5.13 774 659 A 40 TRP HA A 40 TRP HD1 1.0 . 5.30 775 660 A 52 PHE HB3 A 40 TRP HE3 1.0 . 3.71 776 661 A 52 PHE HB2 A 40 TRP HE3 1.0 . 3.46 777 662 A 17 ALA HA A 15 TYR HD% 1.0 . 4.92 778 663 A 17 ALA HA A 15 TYR HE% 1.0 . 3.47 779 664 A 32 TRP HA A 32 TRP HD1 1.0 . 4.20 780 665 A 32 TRP HD1 A 32 TRP HBx 1.0 . 3.66 781 665 A 32 TRP HBy A 32 TRP HD1 1.0 . 3.66 782 666 A 32 TRP HD1 A 6 GLU HGx 1.0 . 5.00 783 666 A 32 TRP HD1 A 6 GLU HGy 1.0 . 5.00 784 667 A 41 TRP HZ2 A 36 ASP HBx 1.0 . 5.50 785 668 A 41 TRP HZ2 A 36 ASP HBy 1.0 . 5.50 786 669 A 25 ILE HG1x A 15 TYR HD% 1.0 . 4.20 787 670 A 15 TYR HD% A 53 VAL HB 1.0 . 4.43 788 671 A 25 ILE HG1y A 15 TYR HD% 1.0 . 4.04 789 672 A 53 VAL HG1% A 15 TYR HD% 1.0 . 3.74 790 673 A 15 TYR HE% A 54 PRO HGx 1.0 . 3.97 791 674 A 53 VAL HG2% A 15 TYR HE% 1.0 . 5.20 792 675 A 58 VAL HG1% A 15 TYR HE% 1.0 . 5.50 793 676 A 25 ILE HG2% A 15 TYR HE% 1.0 . 4.22 794 677 A 32 TRP HE3 A 45 ASN HA 1.0 . 3.92 795 678 A 32 TRP HA A 32 TRP HE3 1.0 . 4.23 796 679 A 32 TRP HE3 A 31 LEU HA 1.0 . 4.13 797 680 A 32 TRP HE3 A 32 TRP HBx 1.0 . 3.35 798 680 A 32 TRP HBy A 32 TRP HE3 1.0 . 3.35 799 681 A 32 TRP HE3 A 44 ARG HB3 1.0 . 5.31 800 682 A 31 LEU HD1% A 32 TRP HE3 1.0 . 4.94 801 683 A 8 VAL HG2% A 32 TRP HE3 1.0 . 5.50 802 684 A 45 ASN HA A 32 TRP HZ3 1.0 . 5.36 803 685 A 13 PHE HB3 A 57 TYR HE% 1.0 . 5.50 804 686 A 52 PHE HA A 40 TRP HE3 1.0 . 5.50 805 687 A 40 TRP HA A 40 TRP HE3 1.0 . 5.50 806 688 A 57 TYR HA A 13 PHE HE% 1.0 . 5.50 807 689 A 54 PRO HA A 40 TRP HD1 1.0 . 5.50 808 690 A 14 ASP HA A 57 TYR HD% 1.0 . 5.50 809 691 A 40 TRP HA A 54 PRO HA 1.0 . 3.58 810 692 A 5 GLU HBx A 5 GLU HGx 1.0 . 2.27 811 692 A 5 GLU HBy A 5 GLU HGx 1.0 . 2.27 812 692 A 5 GLU HGy A 5 GLU HBy 1.0 . 2.27 813 692 A 5 GLU HGy A 5 GLU HBx 1.0 . 2.27 814 693 A 6 GLU H A 6 GLU HBy 1.0 . 2.84 815 693 A 6 GLU H A 6 GLU HBx 1.0 . 2.84 816 694 A 6 GLU HA A 7 VAL HGy% 1.0 . 5.44 817 694 A 6 GLU HA A 7 VAL HGx% 1.0 . 5.44 818 695 A 7 VAL H A 6 GLU HBy 1.0 . 3.90 819 695 A 7 VAL H A 6 GLU HBx 1.0 . 3.90 820 696 A 32 TRP HD1 A 6 GLU HBy 1.0 . 3.63 821 696 A 32 TRP HD1 A 6 GLU HBx 1.0 . 3.63 822 697 A 7 VAL H A 7 VAL HGy% 1.0 . 3.16 823 697 A 7 VAL H A 7 VAL HGx% 1.0 . 3.16 824 698 A 7 VAL HA A 7 VAL HGy% 1.0 . 2.53 825 698 A 7 VAL HA A 7 VAL HGx% 1.0 . 2.53 826 699 A 8 VAL H A 7 VAL HGy% 1.0 . 4.38 827 699 A 8 VAL H A 7 VAL HGx% 1.0 . 4.38 828 700 A 9 VAL HA A 60 ARG HGy 1.0 . 5.34 829 700 A 9 VAL HA A 60 ARG HGx 1.0 . 5.34 830 701 A 9 VAL HG1% A 60 ARG HBy 1.0 . 4.49 831 701 A 9 VAL HG1% A 60 ARG HBx 1.0 . 4.49 832 702 A 9 VAL HG1% A 60 ARG HGy 1.0 . 5.34 833 702 A 9 VAL HG1% A 60 ARG HGx 1.0 . 5.34 834 703 A 9 VAL HG2% A 60 ARG HGy 1.0 . 5.34 835 703 A 9 VAL HG2% A 60 ARG HGx 1.0 . 5.34 836 704 A 10 VAL HGx% A 28 ASN HBx 1.0 . 5.34 837 704 A 10 VAL HGy% A 28 ASN HBx 1.0 . 5.34 838 704 A 28 ASN HBy A 10 VAL HGx% 1.0 . 5.34 839 704 A 10 VAL HGy% A 28 ASN HBy 1.0 . 5.34 840 705 A 10 VAL HGy% A 59 GLU HBy 1.0 . 4.18 841 705 A 10 VAL HGx% A 59 GLU HBy 1.0 . 4.18 842 705 A 59 GLU HBx A 10 VAL HGx% 1.0 . 4.18 843 705 A 10 VAL HGy% A 59 GLU HBx 1.0 . 4.18 844 706 A 11 ALA HB% A 29 GLU HBy 1.0 . 3.63 845 706 A 11 ALA HB% A 29 GLU HBx 1.0 . 3.63 846 707 A 12 LYS H A 12 LYS HBy 1.0 . 3.15 847 707 A 12 LYS H A 12 LYS HBx 1.0 . 3.15 848 708 A 12 LYS HA A 12 LYS HBy 1.0 . 2.31 849 708 A 12 LYS HA A 12 LYS HBx 1.0 . 2.31 850 709 A 15 TYR HD% A 54 PRO HDx 1.0 . 4.10 851 709 A 15 TYR HD% A 54 PRO HDy 1.0 . 4.10 852 710 A 15 TYR HE% A 22 GLU HBy 1.0 . 4.97 853 710 A 15 TYR HE% A 22 GLU HBx 1.0 . 4.97 854 711 A 17 ALA H A 24 ASP HBx 1.0 . 4.52 855 711 A 17 ALA H A 24 ASP HBy 1.0 . 4.52 856 712 A 17 ALA HB% A 22 GLU HBy 1.0 . 3.06 857 712 A 17 ALA HB% A 22 GLU HBx 1.0 . 3.06 858 713 A 17 ALA HB% A 22 GLU HGy 1.0 . 3.46 859 713 A 17 ALA HB% A 22 GLU HGx 1.0 . 3.46 860 714 A 17 ALA HB% A 24 ASP HBx 1.0 . 3.90 861 714 A 17 ALA HB% A 24 ASP HBy 1.0 . 3.90 862 715 A 18 GLN H A 18 GLN HBx 1.0 . 3.09 863 715 A 18 GLN H A 18 GLN HBy 1.0 . 3.09 864 716 A 18 GLN H A 18 GLN HGx 1.0 . 3.91 865 716 A 18 GLN H A 18 GLN HGy 1.0 . 3.91 866 717 A 18 GLN H A 18 GLN HE2x 1.0 . 5.34 867 717 A 18 GLN H A 18 GLN HE2y 1.0 . 5.34 868 718 A 18 GLN HA A 18 GLN HBx 1.0 . 2.59 869 718 A 18 GLN HA A 18 GLN HBy 1.0 . 2.59 870 719 A 18 GLN HA A 18 GLN HGx 1.0 . 2.53 871 719 A 18 GLN HA A 18 GLN HGy 1.0 . 2.53 872 720 A 18 GLN HA A 18 GLN HE2x 1.0 . 4.06 873 720 A 18 GLN HA A 18 GLN HE2y 1.0 . 4.06 874 721 A 18 GLN HBy A 18 GLN HGx 1.0 . 2.16 875 721 A 18 GLN HBx A 18 GLN HGx 1.0 . 2.16 876 721 A 18 GLN HGy A 18 GLN HBx 1.0 . 2.16 877 721 A 18 GLN HBy A 18 GLN HGy 1.0 . 2.16 878 722 A 19 GLN H A 18 GLN HBx 1.0 . 3.31 879 722 A 19 GLN H A 18 GLN HBy 1.0 . 3.31 880 723 A 19 GLN H A 18 GLN HGx 1.0 . 5.33 881 723 A 19 GLN H A 18 GLN HGy 1.0 . 5.33 882 724 A 19 GLN H A 18 GLN HE2x 1.0 . 4.22 883 724 A 19 GLN H A 18 GLN HE2y 1.0 . 4.22 884 725 A 19 GLN H A 22 GLU HBy 1.0 . 5.34 885 725 A 19 GLN H A 22 GLU HBx 1.0 . 5.34 886 726 A 19 GLN HB2 A 19 GLN HGy 1.0 . 2.32 887 726 A 19 GLN HB2 A 19 GLN HGx 1.0 . 2.32 888 727 A 20 GLU HBx A 47 MET HGy 1.0 . 5.34 889 727 A 47 MET HGx A 20 GLU HBx 1.0 . 5.34 890 727 A 20 GLU HBy A 47 MET HGx 1.0 . 5.34 891 727 A 20 GLU HBy A 47 MET HGy 1.0 . 5.34 892 728 A 20 GLU HGy A 47 MET HGy 1.0 . 5.34 893 728 A 20 GLU HGx A 47 MET HGy 1.0 . 5.34 894 728 A 47 MET HGx A 20 GLU HGx 1.0 . 5.34 895 728 A 20 GLU HGy A 47 MET HGx 1.0 . 5.34 896 729 A 21 GLN HA A 21 GLN HBy 1.0 . 2.54 897 729 A 21 GLN HA A 21 GLN HBx 1.0 . 2.54 898 730 A 21 GLN HGx A 22 GLU HBy 1.0 . 3.44 899 730 A 21 GLN HGy A 22 GLU HBy 1.0 . 3.44 900 730 A 22 GLU HBx A 21 GLN HGx 1.0 . 3.44 901 730 A 21 GLN HGy A 22 GLU HBx 1.0 . 3.44 902 731 A 21 GLN HGx A 22 GLU HGy 1.0 . 3.10 903 731 A 21 GLN HGy A 22 GLU HGy 1.0 . 3.10 904 731 A 22 GLU HGx A 21 GLN HGx 1.0 . 3.10 905 731 A 21 GLN HGy A 22 GLU HGx 1.0 . 3.10 906 732 A 22 GLU H A 22 GLU HGy 1.0 . 3.24 907 732 A 22 GLU H A 22 GLU HGx 1.0 . 3.24 908 733 A 22 GLU HA A 22 GLU HGy 1.0 . 3.51 909 733 A 22 GLU HA A 22 GLU HGx 1.0 . 3.51 910 734 A 23 LEU H A 22 GLU HBy 1.0 . 3.29 911 734 A 23 LEU H A 22 GLU HBx 1.0 . 3.29 912 735 A 23 LEU HBy A 51 GLY HAy 1.0 . 5.34 913 735 A 23 LEU HBy A 51 GLY HAx 1.0 . 5.34 914 736 A 23 LEU HD2% A 45 ASN HBx 1.0 . 4.75 915 736 A 23 LEU HD2% A 45 ASN HBy 1.0 . 4.75 916 737 A 23 LEU HD2% A 45 ASN HD2x 1.0 . 5.18 917 737 A 23 LEU HD2% A 45 ASN HD2y 1.0 . 5.18 918 738 A 24 ASP H A 24 ASP HBx 1.0 . 2.97 919 738 A 24 ASP H A 24 ASP HBy 1.0 . 2.97 920 739 A 24 ASP HA A 24 ASP HBx 1.0 . 2.38 921 739 A 24 ASP HA A 24 ASP HBy 1.0 . 2.38 922 740 A 26 LYS H A 26 LYS HBx 1.0 . 3.12 923 740 A 26 LYS H A 26 LYS HBy 1.0 . 3.12 924 741 A 26 LYS H A 29 GLU HBy 1.0 . 3.35 925 741 A 26 LYS H A 29 GLU HBx 1.0 . 3.35 926 742 A 26 LYS HA A 26 LYS HBx 1.0 . 2.58 927 742 A 26 LYS HA A 26 LYS HBy 1.0 . 2.58 928 743 A 26 LYS HBx A 29 GLU HBy 1.0 . 4.53 929 743 A 26 LYS HBy A 29 GLU HBy 1.0 . 4.53 930 743 A 29 GLU HBx A 26 LYS HBx 1.0 . 4.53 931 743 A 29 GLU HBx A 26 LYS HBy 1.0 . 4.53 932 744 A 31 LEU HD1% A 26 LYS HBx 1.0 . 5.34 933 744 A 31 LEU HD1% A 26 LYS HBy 1.0 . 5.34 934 745 A 26 LYS HGy A 29 GLU HBy 1.0 . 5.34 935 745 A 26 LYS HGx A 29 GLU HBy 1.0 . 5.34 936 745 A 29 GLU HBx A 26 LYS HGx 1.0 . 5.34 937 745 A 26 LYS HGy A 29 GLU HBx 1.0 . 5.34 938 746 A 28 ASN H A 28 ASN HBx 1.0 . 3.49 939 746 A 28 ASN H A 28 ASN HBy 1.0 . 3.49 940 747 A 28 ASN HA A 28 ASN HBx 1.0 . 2.56 941 747 A 28 ASN HA A 28 ASN HBy 1.0 . 2.56 942 748 A 28 ASN HBx A 28 ASN HD2x 1.0 . 3.00 943 748 A 28 ASN HBy A 28 ASN HD2x 1.0 . 3.00 944 748 A 28 ASN HD2y A 28 ASN HBx 1.0 . 3.00 945 748 A 28 ASN HBy A 28 ASN HD2y 1.0 . 3.00 946 749 A 29 GLU H A 29 GLU HBy 1.0 . 2.38 947 749 A 29 GLU H A 29 GLU HBx 1.0 . 2.38 948 750 A 29 GLU HA A 29 GLU HBy 1.0 . 2.58 949 750 A 29 GLU HA A 29 GLU HBx 1.0 . 2.58 950 751 A 31 LEU HD2% A 29 GLU HBy 1.0 . 3.80 951 751 A 31 LEU HD2% A 29 GLU HBx 1.0 . 3.80 952 752 A 29 GLU HGy A 45 ASN HBx 1.0 . 5.34 953 752 A 29 GLU HGx A 45 ASN HBx 1.0 . 5.34 954 752 A 45 ASN HBy A 29 GLU HGx 1.0 . 5.34 955 752 A 29 GLU HGy A 45 ASN HBy 1.0 . 5.34 956 753 A 31 LEU HA A 45 ASN HBx 1.0 . 5.34 957 753 A 31 LEU HA A 45 ASN HBy 1.0 . 5.34 958 754 A 31 LEU HD1% A 45 ASN HBx 1.0 . 3.32 959 754 A 31 LEU HD1% A 45 ASN HBy 1.0 . 3.32 960 755 A 33 LEU HD1% A 36 ASP HBx 1.0 . 4.80 961 755 A 33 LEU HD1% A 36 ASP HBy 1.0 . 4.80 962 756 A 33 LEU HD2% A 36 ASP HBx 1.0 . 3.58 963 756 A 33 LEU HD2% A 36 ASP HBy 1.0 . 3.58 964 757 A 33 LEU HD2% A 60 ARG HBy 1.0 . 5.34 965 757 A 33 LEU HD2% A 60 ARG HBx 1.0 . 5.34 966 758 A 33 LEU HD2% A 60 ARG HGy 1.0 . 5.34 967 758 A 33 LEU HD2% A 60 ARG HGx 1.0 . 5.34 968 759 A 34 LEU H A 34 LEU HBy 1.0 . 3.30 969 759 A 34 LEU H A 34 LEU HBx 1.0 . 3.30 970 760 A 34 LEU HG A 34 LEU HBy 1.0 . 2.52 971 760 A 34 LEU HG A 34 LEU HBx 1.0 . 2.52 972 761 A 34 LEU HD1% A 34 LEU HBy 1.0 . 3.08 973 761 A 34 LEU HD1% A 34 LEU HBx 1.0 . 3.08 974 762 A 34 LEU HD2% A 34 LEU HBy 1.0 . 3.08 975 762 A 34 LEU HD2% A 34 LEU HBx 1.0 . 3.08 976 763 A 35 ASP H A 34 LEU HBy 1.0 . 4.16 977 763 A 35 ASP H A 34 LEU HBx 1.0 . 4.16 978 764 A 34 LEU HBy A 42 ARG HDx 1.0 . 5.17 979 764 A 34 LEU HBx A 42 ARG HDx 1.0 . 5.17 980 764 A 42 ARG HDy A 34 LEU HBy 1.0 . 5.17 981 764 A 42 ARG HDy A 34 LEU HBx 1.0 . 5.17 982 765 A 34 LEU HD1% A 42 ARG HGx 1.0 . 5.34 983 765 A 34 LEU HD1% A 42 ARG HGy 1.0 . 5.34 984 766 A 34 LEU HD1% A 44 ARG HDy 1.0 . 5.34 985 766 A 34 LEU HD1% A 44 ARG HDx 1.0 . 5.34 986 767 A 34 LEU HD2% A 42 ARG HGx 1.0 . 5.34 987 767 A 34 LEU HD2% A 42 ARG HGy 1.0 . 5.34 988 768 A 34 LEU HD2% A 44 ARG HDy 1.0 . 5.34 989 768 A 34 LEU HD2% A 44 ARG HDx 1.0 . 5.34 990 769 A 35 ASP H A 35 ASP HBy 1.0 . 3.47 991 769 A 35 ASP H A 35 ASP HBx 1.0 . 3.47 992 770 A 35 ASP HA A 36 ASP HBx 1.0 . 5.05 993 770 A 35 ASP HA A 36 ASP HBy 1.0 . 5.05 994 771 A 42 ARG H A 35 ASP HBy 1.0 . 3.99 995 771 A 42 ARG H A 35 ASP HBx 1.0 . 3.99 996 772 A 42 ARG HBy A 35 ASP HBy 1.0 . 4.86 997 772 A 42 ARG HBy A 35 ASP HBx 1.0 . 4.86 998 773 A 42 ARG HBx A 35 ASP HBy 1.0 . 3.81 999 773 A 42 ARG HBx A 35 ASP HBx 1.0 . 3.81 1000 774 A 35 ASP HBy A 42 ARG HDx 1.0 . 4.52 1001 774 A 35 ASP HBx A 42 ARG HDx 1.0 . 4.52 1002 774 A 42 ARG HDy A 35 ASP HBy 1.0 . 4.52 1003 774 A 42 ARG HDy A 35 ASP HBx 1.0 . 4.52 1004 775 A 36 ASP HA A 36 ASP HBx 1.0 . 2.56 1005 775 A 36 ASP HA A 36 ASP HBy 1.0 . 2.56 1006 776 A 41 TRP HD1 A 36 ASP HBx 1.0 . 4.58 1007 776 A 41 TRP HD1 A 36 ASP HBy 1.0 . 4.58 1008 777 A 39 SER HA A 40 TRP HBy 1.0 . 5.34 1009 777 A 39 SER HA A 40 TRP HBx 1.0 . 5.34 1010 778 A 40 TRP H A 40 TRP HBy 1.0 . 3.67 1011 778 A 40 TRP HBx A 40 TRP H 1.0 . 3.67 1012 779 A 40 TRP HE3 A 40 TRP HBy 1.0 . 3.26 1013 779 A 40 TRP HE3 A 40 TRP HBx 1.0 . 3.26 1014 780 A 52 PHE HB3 A 40 TRP HBy 1.0 . 3.48 1015 780 A 52 PHE HB3 A 40 TRP HBx 1.0 . 3.48 1016 781 A 52 PHE HD% A 40 TRP HBy 1.0 . 4.41 1017 781 A 52 PHE HD% A 40 TRP HBx 1.0 . 4.41 1018 782 A 43 VAL H A 42 ARG HGx 1.0 . 5.16 1019 782 A 43 VAL H A 42 ARG HGy 1.0 . 5.16 1020 783 A 44 ARG HB2 A 44 ARG HDy 1.0 . 3.45 1021 783 A 44 ARG HB2 A 44 ARG HDx 1.0 . 3.45 1022 784 A 48 ASN HB2 A 44 ARG HDy 1.0 . 5.34 1023 784 A 48 ASN HB2 A 44 ARG HDx 1.0 . 5.34 1024 785 A 45 ASN HA A 45 ASN HBx 1.0 . 2.58 1025 785 A 45 ASN HA A 45 ASN HBy 1.0 . 2.58 1026 786 A 46 SER H A 45 ASN HBx 1.0 . 3.02 1027 786 A 46 SER H A 45 ASN HBy 1.0 . 3.02 1028 787 A 47 MET H A 47 MET HBy 1.0 . 2.94 1029 787 A 47 MET H A 47 MET HBx 1.0 . 2.94 1030 788 A 47 MET H A 48 ASN HD2y 1.0 . 5.34 1031 788 A 47 MET H A 48 ASN HD2x 1.0 . 5.34 1032 789 A 47 MET HA A 47 MET HGy 1.0 . 3.76 1033 789 A 47 MET HA A 47 MET HGx 1.0 . 3.76 1034 790 A 47 MET HA A 48 ASN HD2x 1.0 . 3.17 1035 790 A 47 MET HA A 48 ASN HD2y 1.0 . 3.17 1036 791 A 47 MET HBy A 47 MET HGy 1.0 . 2.38 1037 791 A 47 MET HBx A 47 MET HGy 1.0 . 2.38 1038 791 A 47 MET HGx A 47 MET HBy 1.0 . 2.38 1039 791 A 47 MET HGx A 47 MET HBx 1.0 . 2.38 1040 792 A 48 ASN HA A 49 LYS HGy 1.0 . 5.34 1041 792 A 48 ASN HA A 49 LYS HGx 1.0 . 5.34 1042 793 A 48 ASN HD2y A 48 ASN HB2 1.0 . 3.54 1043 793 A 48 ASN HD2x A 48 ASN HB2 1.0 . 3.54 1044 794 A 49 LYS H A 49 LYS HGy 1.0 . 5.34 1045 794 A 49 LYS H A 49 LYS HGx 1.0 . 5.34 1046 795 A 49 LYS HB2 A 49 LYS HGy 1.0 . 2.50 1047 795 A 49 LYS HB2 A 49 LYS HGx 1.0 . 2.50 1048 796 A 52 PHE H A 51 GLY HAy 1.0 . 2.78 1049 796 A 52 PHE H A 51 GLY HAx 1.0 . 2.78 1050 797 A 52 PHE HD% A 51 GLY HAy 1.0 . 4.75 1051 797 A 52 PHE HD% A 51 GLY HAx 1.0 . 4.75 1052 798 A 53 VAL HA A 54 PRO HDx 1.0 . 2.46 1053 798 A 53 VAL HA A 54 PRO HDy 1.0 . 2.46 1054 799 A 53 VAL HB A 54 PRO HDx 1.0 . 3.03 1055 799 A 53 VAL HB A 54 PRO HDy 1.0 . 3.03 1056 800 A 57 TYR H A 54 PRO HBx 1.0 . 4.83 1057 800 A 57 TYR H A 54 PRO HBy 1.0 . 4.83 1058 801 A 57 TYR HD% A 54 PRO HBx 1.0 . 4.47 1059 801 A 57 TYR HD% A 54 PRO HBy 1.0 . 4.47 1060 802 A 58 VAL HG1% A 54 PRO HBx 1.0 . 5.34 1061 802 A 58 VAL HG1% A 54 PRO HBy 1.0 . 5.34 1062 803 A 56 ASN HA A 56 ASN HBy 1.0 . 2.62 1063 803 A 56 ASN HA A 56 ASN HBx 1.0 . 2.62 1064 804 A 57 TYR HD% A 56 ASN HBy 1.0 . 4.03 1065 804 A 57 TYR HD% A 56 ASN HBx 1.0 . 4.03 1066 805 A 59 GLU H A 59 GLU HBy 1.0 . 3.07 1067 805 A 59 GLU H A 59 GLU HBx 1.0 . 3.07 1068 806 A 59 GLU HA A 59 GLU HBy 1.0 . 2.46 1069 806 A 59 GLU HA A 59 GLU HBx 1.0 . 2.46 1070 807 A 59 GLU HA A 60 ARG HGy 1.0 . 5.34 1071 807 A 59 GLU HA A 60 ARG HGx 1.0 . 5.34 1072 808 A 60 ARG H A 60 ARG HBy 1.0 . 3.69 1073 808 A 60 ARG H A 60 ARG HBx 1.0 . 3.69 1074 809 A 60 ARG HBy A 60 ARG HDx 1.0 . 3.37 1075 809 A 60 ARG HBx A 60 ARG HDx 1.0 . 3.37 1076 809 A 60 ARG HDy A 60 ARG HBy 1.0 . 3.37 1077 809 A 60 ARG HDy A 60 ARG HBx 1.0 . 3.37 1078 810 A 60 ARG HBy A 61 LYS HDx 1.0 . 5.34 1079 810 A 60 ARG HBx A 61 LYS HDx 1.0 . 5.34 1080 810 A 61 LYS HDy A 60 ARG HBy 1.0 . 5.34 1081 810 A 61 LYS HDy A 60 ARG HBx 1.0 . 5.34 1082 811 A 61 LYS HBx A 61 LYS HGx 1.0 . 2.42 1083 811 A 61 LYS HBy A 61 LYS HGx 1.0 . 2.42 1084 811 A 61 LYS HGy A 61 LYS HBx 1.0 . 2.42 1085 811 A 61 LYS HGy A 61 LYS HBy 1.0 . 2.42 1086 812 A 62 ASN HA A 62 ASN HBy 1.0 . 2.62 1087 812 A 62 ASN HA A 62 ASN HBx 1.0 . 2.62 stop_ save_ save_DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 VAL C A 8 VAL N A 8 VAL CA A 8 VAL C 1.0 -136.7 -78.7 PHI 2 2 A 10 VAL N A 10 VAL CA A 10 VAL CB A 10 VAL CG1 1.0 30.0 90.0 CHI1 3 3 A 8 VAL N A 8 VAL CA A 8 VAL C A 9 VAL N 1.0 110.1 151.9 PSI 4 4 A 8 VAL C A 9 VAL N A 9 VAL CA A 9 VAL C 1.0 -157.0 -105.2 PHI 5 5 A 9 VAL N A 9 VAL CA A 9 VAL C A 10 VAL N 1.0 136.6 191.7 PSI 6 6 A 9 VAL N A 9 VAL CA A 9 VAL CB A 9 VAL CG1 1.0 -90.0 -30.0 CHI1 7 7 A 9 VAL C A 10 VAL N A 10 VAL CA A 10 VAL C 1.0 -140.4 -98.5 PHI 8 8 A 10 VAL N A 10 VAL CA A 10 VAL C A 11 ALA N 1.0 111.4 173.1 PSI 9 9 A 10 VAL C A 11 ALA N A 11 ALA CA A 11 ALA C 1.0 -147.8 -37.8 PHI 10 10 A 11 ALA N A 11 ALA CA A 11 ALA C A 12 LYS N 1.0 119.7 145.2 PSI 11 11 A 12 LYS C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -166.8 -105.9 PHI 12 12 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 ASP N 1.0 123.7 194.0 PSI 13 13 A 13 PHE N A 13 PHE CA A 13 PHE CB A 13 PHE CG 1.0 -90.0 -30.0 CHI1 14 14 A 13 PHE C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -134.4 -40.2 PHI 15 15 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 TYR N 1.0 108.4 154.5 PSI 16 16 A 14 ASP C A 15 TYR N A 15 TYR CA A 15 TYR C 1.0 -135.4 -62.9 PHI 17 17 A 15 TYR N A 15 TYR CA A 15 TYR C A 16 VAL N 1.0 112.1 151.4 PSI 18 18 A 15 TYR C A 16 VAL N A 16 VAL CA A 16 VAL C 1.0 -175.0 -53.3 PHI 19 19 A 16 VAL N A 16 VAL CA A 16 VAL C A 17 ALA N 1.0 97.1 158.4 PSI 20 20 A 18 GLN C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -164.8 -81.4 PHI 21 21 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 GLU N 1.0 116.3 192.5 PSI 22 22 A 19 GLN N A 19 GLN CA A 19 GLN CB A 19 GLN CG 1.0 -90.0 -30.0 CHI1 23 23 A 19 GLN C A 20 GLU N A 20 GLU CA A 20 GLU C 1.0 -70.6 -50.6 PHI 24 24 A 20 GLU N A 20 GLU CA A 20 GLU C A 21 GLN N 1.0 -43.5 -3.9 PSI 25 25 A 21 GLN C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -183.3 -58.0 PHI 26 26 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LEU N 1.0 118.2 180.4 PSI 27 27 A 22 GLU C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -183.9 -105.6 PHI 28 28 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ASP N 1.0 130.1 173.9 PSI 29 29 A 23 LEU N A 23 LEU CA A 23 LEU CB A 23 LEU CG 1.0 150.0 210.0 CHI1 30 30 A 23 LEU C A 24 ASP N A 24 ASP CA A 24 ASP C 1.0 -138.2 -69.1 PHI 31 31 A 24 ASP N A 24 ASP CA A 24 ASP C A 25 ILE N 1.0 111.5 150.8 PSI 32 32 A 24 ASP N A 24 ASP CA A 24 ASP CB A 24 ASP CG 1.0 30.0 90.0 CHI1 33 33 A 24 ASP C A 25 ILE N A 25 ILE CA A 25 ILE C 1.0 -147.1 -118.5 PHI 34 34 A 25 ILE N A 25 ILE CA A 25 ILE C A 26 LYS N 1.0 144.7 176.2 PSI 35 35 A 25 ILE N A 25 ILE CA A 25 ILE CB A 25 ILE CG1 1.0 30.0 90.0 CHI1 36 36 A 25 ILE C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -157.4 -75.7 PHI 37 37 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LYS N 1.0 109.0 190.3 PSI 38 38 A 26 LYS N A 26 LYS CA A 26 LYS CB A 26 LYS CG 1.0 150.0 210.0 CHI1 39 39 A 29 GLU C A 30 ARG N A 30 ARG CA A 30 ARG C 1.0 -141.8 -54.5 PHI 40 40 A 30 ARG N A 30 ARG CA A 30 ARG C A 31 LEU N 1.0 108.4 150.3 PSI 41 41 A 30 ARG C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -177.3 -79.8 PHI 42 42 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 TRP N 1.0 123.3 180.8 PSI 43 43 A 31 LEU N A 31 LEU CA A 31 LEU CB A 31 LEU CG 1.0 -90.0 -30.0 CHI1 44 44 A 31 LEU C A 32 TRP N A 32 TRP CA A 32 TRP C 1.0 -141.2 -65.5 PHI 45 45 A 32 TRP N A 32 TRP CA A 32 TRP C A 33 LEU N 1.0 108.2 144.9 PSI 46 46 A 32 TRP C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -154.1 -37.8 PHI 47 47 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 LEU N 1.0 84.1 174.0 PSI 48 48 A 34 LEU C A 35 ASP N A 35 ASP CA A 35 ASP C 1.0 -201.3 -45.7 PHI 49 49 A 35 ASP N A 35 ASP CA A 35 ASP C A 36 ASP N 1.0 110.8 155.2 PSI 50 50 A 36 ASP N A 36 ASP CA A 36 ASP CB A 36 ASP CG 1.0 30.0 90.0 CHI1 51 51 A 36 ASP C A 37 SER N A 37 SER CA A 37 SER C 1.0 -113.8 -52.8 PHI 52 52 A 37 SER N A 37 SER CA A 37 SER C A 38 LYS N 1.0 -46.5 3.4 PSI 53 53 A 40 TRP C A 41 TRP N A 41 TRP CA A 41 TRP C 1.0 -141.9 -75.4 PHI 54 54 A 41 TRP N A 41 TRP CA A 41 TRP C A 42 ARG N 1.0 92.3 174.9 PSI 55 55 A 41 TRP N A 41 TRP CA A 41 TRP CB A 41 TRP CG 1.0 -90.0 -30.0 CHI1 56 56 A 41 TRP C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -130.9 -80.1 PHI 57 57 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 VAL N 1.0 105.0 160.2 PSI 58 58 A 42 ARG N A 42 ARG CA A 42 ARG CB A 42 ARG CG 1.0 150.0 210.0 CHI1 59 59 A 42 ARG C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -161.9 -108.6 PHI 60 60 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ARG N 1.0 142.5 177.5 PSI 61 61 A 43 VAL N A 43 VAL CA A 43 VAL CB A 43 VAL CG1 1.0 -90.0 -30.0 CHI1 62 62 A 43 VAL C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -150.7 -103.3 PHI 63 63 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 ASN N 1.0 108.4 168.8 PSI 64 64 A 44 ARG C A 45 ASN N A 45 ASN CA A 45 ASN C 1.0 -109.3 -60.5 PHI 65 65 A 45 ASN N A 45 ASN CA A 45 ASN C A 46 SER N 1.0 135.8 190.5 PSI 66 66 A 45 ASN C A 46 SER N A 46 SER CA A 46 SER C 1.0 -71.2 -51.2 PHI 67 67 A 46 SER N A 46 SER CA A 46 SER C A 47 MET N 1.0 -31.4 -8.6 PSI 68 68 A 46 SER C A 47 MET N A 47 MET CA A 47 MET C 1.0 -124.1 -67.2 PHI 69 69 A 47 MET N A 47 MET CA A 47 MET C A 48 ASN N 1.0 -15.2 35.0 PSI 70 70 A 48 ASN C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -137.5 -40.2 PHI 71 71 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 THR N 1.0 138.5 166.7 PSI 72 72 A 49 LYS N A 49 LYS CA A 49 LYS CB A 49 LYS CG 1.0 -90.0 -30.0 CHI1 73 73 A 49 LYS C A 50 THR N A 50 THR CA A 50 THR C 1.0 -142.4 -102.2 PHI 74 74 A 50 THR N A 50 THR CA A 50 THR C A 51 GLY N 1.0 117.0 178.4 PSI 75 75 A 51 GLY C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -161.7 -77.7 PHI 76 76 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 VAL N 1.0 125.2 172.0 PSI 77 77 A 52 PHE C A 53 VAL N A 53 VAL CA A 53 VAL C 1.0 -172.7 -66.0 PHI 78 78 A 53 VAL N A 53 VAL CA A 53 VAL C A 54 PRO N 1.0 109.3 194.6 PSI 79 79 A 53 VAL N A 53 VAL CA A 53 VAL CB A 53 VAL CG1 1.0 -90.0 -30.0 CHI1 80 80 A 54 PRO C A 55 SER N A 55 SER CA A 55 SER C 1.0 -85.2 -34.2 PHI 81 81 A 55 SER N A 55 SER CA A 55 SER C A 56 ASN N 1.0 -53.0 -11.8 PSI 82 82 A 55 SER C A 56 ASN N A 56 ASN CA A 56 ASN C 1.0 -93.0 -63.0 PHI 83 83 A 56 ASN N A 56 ASN CA A 56 ASN C A 57 TYR N 1.0 -51.0 35.2 PSI 84 84 A 57 TYR C A 58 VAL N A 58 VAL CA A 58 VAL C 1.0 -175.9 -110.4 PHI 85 85 A 58 VAL N A 58 VAL CA A 58 VAL C A 59 GLU N 1.0 136.6 186.5 PSI 86 86 A 58 VAL C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -169.8 -90.6 PHI 87 87 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 ARG N 1.0 109.6 165.2 PSI 88 88 A 60 ARG C A 61 LYS N A 61 LYS CA A 61 LYS C 1.0 -163.5 -37.7 PHI 89 89 A 61 LYS N A 61 LYS CA A 61 LYS C A 62 ASN N 1.0 65.7 198.8 PSI stop_ save_