data_nef_c34462_6to6 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 _nef_nmr_meta_data.program_name . _nef_nmr_meta_data.program_version . _nef_nmr_meta_data.creation_date . _nef_nmr_meta_data.uuid . _nef_nmr_meta_data.coordinate_file_name . loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 6TO6 stop_ 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 0 SER middle . . 3 A 1 MET middle . . 4 A 2 SER middle . . 5 A 3 TYR middle . . 6 A 4 ASP middle . . 7 A 5 TYR middle . . 8 A 6 SER middle . . 9 A 7 SER middle . . 10 A 8 LEU middle . . 11 A 9 LEU middle . . 12 A 10 GLY middle . false 13 A 11 LYS middle . . 14 A 12 ILE middle . . 15 A 13 THR middle . . 16 A 14 GLU middle . . 17 A 15 LYS middle . . 18 A 16 CYS middle . . 19 A 17 GLY middle . false 20 A 18 THR middle . . 21 A 19 GLN middle . . 22 A 20 TYR middle . . 23 A 21 ASN middle . . 24 A 22 PHE middle . . 25 A 23 ALA middle . . 26 A 24 ILE middle . . 27 A 25 ALA middle . . 28 A 26 MET middle . . 29 A 27 GLY middle . false 30 A 28 LEU middle . . 31 A 29 SER middle . . 32 A 30 GLU middle . . 33 A 31 ARG middle . . 34 A 32 THR middle . . 35 A 33 VAL middle . . 36 A 34 SER middle . . 37 A 35 LEU middle . . 38 A 36 LYS middle . . 39 A 37 LEU middle . . 40 A 38 ASN middle . . 41 A 39 ASP middle . . 42 A 40 LYS middle . . 43 A 41 VAL middle . . 44 A 42 THR middle . . 45 A 43 TRP middle . . 46 A 44 LYS middle . . 47 A 45 ASP middle . . 48 A 46 ASP middle . . 49 A 47 GLU middle . . 50 A 48 ILE middle . . 51 A 49 LEU middle . . 52 A 50 LYS middle . . 53 A 51 ALA middle . . 54 A 52 VAL middle . . 55 A 53 HIS middle . . 56 A 54 VAL middle . . 57 A 55 LEU middle . . 58 A 56 GLU middle . . 59 A 57 LEU middle . . 60 A 58 ASN middle . . 61 A 59 PRO middle . false 62 A 60 GLN middle . . 63 A 61 ASP middle . . 64 A 62 ILE middle . . 65 A 63 PRO middle . false 66 A 64 LYS middle . . 67 A 65 TYR middle . . 68 A 66 PHE middle . . 69 A 67 PHE middle . . 70 A 68 ASN middle . . 71 A 69 ALA middle . . 72 A 70 LYS middle . . 73 A 71 VAL middle . . 74 A 72 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 0 SER HA H 1 4.510 0.00 A 0 SER HB3 H 1 3.870 0.00 A 0 SER C C 13 174.134 0.00 A 0 SER CA C 13 58.334 0.00 A 0 SER CB C 13 63.932 0.00 A 1 MET H H 1 8.442 0.00 A 1 MET HA H 1 4.525 0.00 A 1 MET HB2 H 1 1.933 0.00 A 1 MET HB3 H 1 1.890 0.00 A 1 MET HG2 H 1 2.451 0.00 A 1 MET HG3 H 1 2.468 0.00 A 1 MET C C 13 175.186 0.00 A 1 MET CA C 13 54.985 0.00 A 1 MET CB C 13 33.050 0.00 A 1 MET CG C 13 31.875 0.00 A 1 MET N N 15 122.150 0.00 A 2 SER H H 1 8.142 0.00 A 2 SER HA H 1 4.574 0.00 A 2 SER HB2 H 1 3.739 0.00 A 2 SER HB3 H 1 3.706 0.00 A 2 SER C C 13 173.385 0.00 A 2 SER CA C 13 57.506 0.00 A 2 SER CB C 13 64.175 0.00 A 2 SER N N 15 117.409 0.00 A 3 TYR H H 1 8.486 0.00 A 3 TYR HA H 1 4.631 0.00 A 3 TYR HB2 H 1 2.503 0.00 A 3 TYR HB3 H 1 2.494 0.00 A 3 TYR HDx H 1 7.002 0.00 A 3 TYR HDy H 1 7.002 0.00 A 3 TYR HEx H 1 6.842 0.00 A 3 TYR HEy H 1 6.842 0.00 A 3 TYR C C 13 173.914 0.00 A 3 TYR CA C 13 57.496 0.00 A 3 TYR CB C 13 39.561 0.00 A 3 TYR CD2 C 13 133.246 0.00 A 3 TYR CE2 C 13 117.604 0.00 A 3 TYR N N 15 123.548 0.00 A 4 ASP H H 1 8.380 0.00 A 4 ASP HA H 1 4.621 0.00 A 4 ASP HB2 H 1 2.389 0.00 A 4 ASP HB3 H 1 2.736 0.00 A 4 ASP C C 13 176.877 0.00 A 4 ASP CA C 13 52.690 0.00 A 4 ASP CB C 13 42.236 0.00 A 4 ASP N N 15 120.039 0.00 A 5 TYR H H 1 8.849 0.00 A 5 TYR HA H 1 5.199 0.00 A 5 TYR HB2 H 1 3.502 0.00 A 5 TYR HB3 H 1 2.925 0.00 A 5 TYR HDx H 1 7.198 0.00 A 5 TYR HDy H 1 7.198 0.00 A 5 TYR HEx H 1 6.934 0.00 A 5 TYR HEy H 1 6.934 0.00 A 5 TYR C C 13 175.922 0.00 A 5 TYR CA C 13 58.163 0.00 A 5 TYR CB C 13 37.546 0.00 A 5 TYR CD2 C 13 133.078 0.00 A 5 TYR CE2 C 13 118.376 0.00 A 5 TYR N N 15 125.753 0.00 A 6 SER H H 1 8.615 0.00 A 6 SER HA H 1 4.113 0.00 A 6 SER HB2 H 1 3.984 0.00 A 6 SER HB3 H 1 3.895 0.00 A 6 SER C C 13 177.698 0.00 A 6 SER CA C 13 62.659 0.00 A 6 SER CB C 13 62.386 0.00 A 6 SER N N 15 117.218 0.00 A 7 SER H H 1 8.737 0.00 A 7 SER HA H 1 4.341 0.00 A 7 SER HB2 H 1 3.648 0.00 A 7 SER HB3 H 1 3.809 0.00 A 7 SER C C 13 176.944 0.00 A 7 SER CA C 13 61.849 0.00 A 7 SER CB C 13 62.093 0.00 A 7 SER N N 15 119.840 0.00 A 8 LEU H H 1 8.712 0.00 A 8 LEU HA H 1 3.885 0.00 A 8 LEU HB2 H 1 1.390 0.00 A 8 LEU HB3 H 1 1.960 0.00 A 8 LEU HD1% H 1 0.177 0.00 A 8 LEU HD2% H 1 0.211 0.00 A 8 LEU HG H 1 1.181 0.00 A 8 LEU C C 13 177.687 0.00 A 8 LEU CA C 13 58.146 0.00 A 8 LEU CB C 13 41.107 0.00 A 8 LEU CD1 C 13 22.758 0.00 A 8 LEU CD2 C 13 22.758 0.00 A 8 LEU CG C 13 26.726 0.00 A 8 LEU N N 15 126.700 0.00 A 9 LEU H H 1 8.854 0.00 A 9 LEU HA H 1 3.873 0.00 A 9 LEU HB2 H 1 1.656 0.00 A 9 LEU HB3 H 1 1.766 0.00 A 9 LEU HD1% H 1 0.809 0.00 A 9 LEU HD2% H 1 0.891 0.00 A 9 LEU HG H 1 1.682 0.00 A 9 LEU C C 13 179.809 0.00 A 9 LEU CA C 13 58.313 0.00 A 9 LEU CB C 13 41.159 0.00 A 9 LEU CD2 C 13 24.434 0.00 A 9 LEU CG C 13 27.238 0.00 A 9 LEU N N 15 119.469 0.00 A 10 GLY H H 1 7.978 0.00 A 10 GLY HA2 H 1 3.879 0.00 A 10 GLY HA3 H 1 3.951 0.00 A 10 GLY C C 13 176.188 0.00 A 10 GLY CA C 13 47.189 0.00 A 10 GLY N N 15 106.183 0.00 A 11 LYS H H 1 7.734 0.00 A 11 LYS HA H 1 4.252 0.00 A 11 LYS HB2 H 1 1.734 0.00 A 11 LYS HB3 H 1 1.955 0.00 A 11 LYS HD2 H 1 1.609 0.00 A 11 LYS HD3 H 1 1.809 0.00 A 11 LYS HE2 H 1 2.758 0.00 A 11 LYS HE3 H 1 2.901 0.00 A 11 LYS HG2 H 1 1.295 0.00 A 11 LYS HG3 H 1 1.312 0.00 A 11 LYS C C 13 177.991 0.00 A 11 LYS CA C 13 56.659 0.00 A 11 LYS CB C 13 31.109 0.00 A 11 LYS CD C 13 27.131 0.00 A 11 LYS CE C 13 41.584 0.00 A 11 LYS CG C 13 24.783 0.00 A 11 LYS N N 15 123.396 0.00 A 12 ILE H H 1 8.558 0.00 A 12 ILE HA H 1 3.190 0.00 A 12 ILE HB H 1 1.759 0.00 A 12 ILE HD1% H 1 0.163 0.00 A 12 ILE HG12 H 1 -0.451 0.00 A 12 ILE HG13 H 1 1.281 0.00 A 12 ILE HG2% H 1 0.426 0.00 A 12 ILE C C 13 178.066 0.00 A 12 ILE CA C 13 66.044 0.00 A 12 ILE CB C 13 37.513 0.00 A 12 ILE CD1 C 13 15.199 0.00 A 12 ILE CG1 C 13 29.741 0.00 A 12 ILE CG2 C 13 16.803 0.00 A 12 ILE N N 15 120.992 0.00 A 13 THR H H 1 8.097 0.00 A 13 THR HA H 1 3.586 0.00 A 13 THR HB H 1 4.241 0.00 A 13 THR HG1 H 1 4.756 0.00 A 13 THR HG2% H 1 1.244 0.00 A 13 THR C C 13 176.496 0.00 A 13 THR CA C 13 66.673 0.00 A 13 THR CB C 13 68.443 0.00 A 13 THR CG2 C 13 21.509 0.00 A 13 THR N N 15 116.439 0.00 A 14 GLU H H 1 7.959 0.00 A 14 GLU HA H 1 3.946 0.00 A 14 GLU HB3 H 1 2.187 0.00 A 14 GLU HG2 H 1 2.389 0.00 A 14 GLU HG3 H 1 2.017 0.00 A 14 GLU C C 13 178.028 0.00 A 14 GLU CA C 13 59.533 0.00 A 14 GLU CB C 13 30.740 0.00 A 14 GLU CG C 13 35.621 0.00 A 14 GLU N N 15 121.777 0.00 A 15 LYS H H 1 8.379 0.00 A 15 LYS HA H 1 4.395 0.00 A 15 LYS HB2 H 1 2.004 0.00 A 15 LYS HB3 H 1 1.949 0.00 A 15 LYS HD2 H 1 1.643 0.00 A 15 LYS HD3 H 1 1.604 0.00 A 15 LYS HE2 H 1 2.803 0.00 A 15 LYS HE3 H 1 3.012 0.00 A 15 LYS HG2 H 1 1.528 0.00 A 15 LYS HG3 H 1 1.379 0.00 A 15 LYS C C 13 178.562 0.00 A 15 LYS CA C 13 56.118 0.00 A 15 LYS CB C 13 32.814 0.00 A 15 LYS CD C 13 27.680 0.00 A 15 LYS CE C 13 41.832 0.00 A 15 LYS CG C 13 24.632 0.00 A 15 LYS N N 15 114.075 0.00 A 16 CYS H H 1 8.504 0.00 A 16 CYS HA H 1 4.729 0.00 A 16 CYS HB2 H 1 2.779 0.00 A 16 CYS HB3 H 1 3.308 0.00 A 16 CYS HG H 1 2.229 0.00 A 16 CYS C C 13 175.647 0.00 A 16 CYS CA C 13 58.456 0.00 A 16 CYS CB C 13 30.368 0.00 A 16 CYS N N 15 114.180 0.00 A 17 GLY H H 1 7.988 0.00 A 17 GLY HA2 H 1 3.809 0.00 A 17 GLY HA3 H 1 4.737 0.00 A 17 GLY C C 13 174.840 0.00 A 17 GLY CA C 13 47.075 0.00 A 17 GLY N N 15 114.098 0.00 A 18 THR H H 1 7.786 0.00 A 18 THR HA H 1 4.741 0.00 A 18 THR HB H 1 4.669 0.00 A 18 THR HG1 H 1 5.456 0.00 A 18 THR HG2% H 1 1.299 0.00 A 18 THR C C 13 174.490 0.00 A 18 THR CA C 13 58.703 0.00 A 18 THR CB C 13 73.254 0.00 A 18 THR CG2 C 13 21.795 0.00 A 18 THR N N 15 109.633 0.00 A 19 GLN H H 1 9.090 0.00 A 19 GLN HA H 1 3.899 0.00 A 19 GLN HB2 H 1 2.208 0.00 A 19 GLN HB3 H 1 2.097 0.00 A 19 GLN HE21 H 1 7.536 0.00 A 19 GLN HE22 H 1 6.684 0.00 A 19 GLN HG2 H 1 2.112 0.00 A 19 GLN HG3 H 1 2.398 0.00 A 19 GLN C C 13 177.786 0.00 A 19 GLN CA C 13 59.747 0.00 A 19 GLN CB C 13 28.557 0.00 A 19 GLN CG C 13 35.322 0.00 A 19 GLN N N 15 120.592 0.00 A 19 GLN NE2 N 15 110.097 0.00 A 20 TYR H H 1 8.376 0.00 A 20 TYR HA H 1 3.985 0.00 A 20 TYR HB2 H 1 3.240 0.00 A 20 TYR HB3 H 1 2.855 0.00 A 20 TYR HDx H 1 7.157 0.00 A 20 TYR HDy H 1 7.157 0.00 A 20 TYR HEx H 1 6.843 0.00 A 20 TYR HEy H 1 6.843 0.00 A 20 TYR C C 13 176.065 0.00 A 20 TYR CA C 13 61.881 0.00 A 20 TYR CB C 13 38.080 0.00 A 20 TYR CD2 C 13 133.301 0.00 A 20 TYR CE2 C 13 118.222 0.00 A 20 TYR N N 15 120.604 0.00 A 21 ASN H H 1 7.930 0.00 A 21 ASN HA H 1 4.343 0.00 A 21 ASN HB2 H 1 2.977 0.00 A 21 ASN HB3 H 1 3.189 0.00 A 21 ASN HD21 H 1 7.042 0.00 A 21 ASN HD22 H 1 7.753 0.00 A 21 ASN C C 13 179.196 0.00 A 21 ASN CA C 13 55.456 0.00 A 21 ASN CB C 13 37.583 0.00 A 21 ASN N N 15 117.983 0.00 A 21 ASN ND2 N 15 110.477 0.00 A 22 PHE H H 1 7.810 0.00 A 22 PHE HA H 1 4.494 0.00 A 22 PHE HB2 H 1 3.234 0.00 A 22 PHE HB3 H 1 3.165 0.00 A 22 PHE HD1 H 1 7.208 0.00 A 22 PHE HD2 H 1 7.330 0.00 A 22 PHE HEx H 1 7.208 0.00 A 22 PHE HEy H 1 7.208 0.00 A 22 PHE HZ H 1 7.208 0.00 A 22 PHE C C 13 175.266 0.00 A 22 PHE CA C 13 60.721 0.00 A 22 PHE CB C 13 39.760 0.00 A 22 PHE CD2 C 13 132.130 0.00 A 22 PHE CE2 C 13 130.667 0.00 A 22 PHE CZ C 13 129.226 0.00 A 22 PHE N N 15 121.779 0.00 A 23 ALA H H 1 8.566 0.00 A 23 ALA HA H 1 3.415 0.00 A 23 ALA HB% H 1 1.368 0.00 A 23 ALA C C 13 179.060 0.00 A 23 ALA CA C 13 56.188 0.00 A 23 ALA CB C 13 16.535 0.00 A 23 ALA N N 15 122.740 0.00 A 24 ILE H H 1 7.776 0.00 A 24 ILE HA H 1 3.687 0.00 A 24 ILE HB H 1 1.879 0.00 A 24 ILE HD1% H 1 0.608 0.00 A 24 ILE HG12 H 1 1.023 0.00 A 24 ILE HG13 H 1 1.235 0.00 A 24 ILE HG2% H 1 0.812 0.00 A 24 ILE C C 13 180.330 0.00 A 24 ILE CA C 13 63.318 0.00 A 24 ILE CB C 13 36.643 0.00 A 24 ILE CD1 C 13 10.898 0.00 A 24 ILE CG1 C 13 27.605 0.00 A 24 ILE CG2 C 13 16.981 0.00 A 24 ILE N N 15 116.438 0.00 A 25 ALA H H 1 7.707 0.00 A 25 ALA HA H 1 4.059 0.00 A 25 ALA HB% H 1 1.484 0.00 A 25 ALA C C 13 179.417 0.00 A 25 ALA CA C 13 54.708 0.00 A 25 ALA CB C 13 18.413 0.00 A 25 ALA N N 15 123.603 0.00 A 26 MET H H 1 7.863 0.00 A 26 MET HA H 1 4.179 0.00 A 26 MET HB2 H 1 1.716 0.00 A 26 MET HB3 H 1 1.797 0.00 A 26 MET HE% H 1 2.181 0.00 A 26 MET HG2 H 1 1.059 0.00 A 26 MET HG3 H 1 1.518 0.00 A 26 MET C C 13 177.033 0.00 A 26 MET CA C 13 54.228 0.00 A 26 MET CB C 13 31.594 0.00 A 26 MET CE C 13 16.524 0.00 A 26 MET CG C 13 32.721 0.00 A 26 MET N N 15 114.128 0.00 A 27 GLY H H 1 7.962 0.00 A 27 GLY HA2 H 1 3.819 0.00 A 27 GLY HA3 H 1 3.965 0.00 A 27 GLY C C 13 174.262 0.00 A 27 GLY CA C 13 46.131 0.00 A 27 GLY N N 15 109.705 0.00 A 28 LEU H H 1 7.821 0.00 A 28 LEU HA H 1 4.750 0.00 A 28 LEU HB2 H 1 1.359 0.00 A 28 LEU HB3 H 1 1.181 0.00 A 28 LEU HD1% H 1 0.908 0.00 A 28 LEU HD2% H 1 0.603 0.00 A 28 LEU HG H 1 1.414 0.00 A 28 LEU C C 13 179.411 0.00 A 28 LEU CA C 13 52.117 0.00 A 28 LEU CB C 13 47.281 0.00 A 28 LEU CD1 C 13 25.660 0.00 A 28 LEU CD2 C 13 25.660 0.00 A 28 LEU CG C 13 26.453 0.00 A 28 LEU N N 15 119.103 0.00 A 29 SER H H 1 8.326 0.00 A 29 SER HA H 1 4.465 0.00 A 29 SER HB2 H 1 4.302 0.00 A 29 SER HB3 H 1 4.000 0.00 A 29 SER C C 13 175.267 0.00 A 29 SER CA C 13 56.864 0.00 A 29 SER CB C 13 64.645 0.00 A 29 SER N N 15 114.699 0.00 A 30 GLU H H 1 9.208 0.00 A 30 GLU HA H 1 3.713 0.00 A 30 GLU HB2 H 1 2.065 0.00 A 30 GLU HB3 H 1 2.137 0.00 A 30 GLU HG2 H 1 2.214 0.00 A 30 GLU HG3 H 1 2.298 0.00 A 30 GLU C C 13 178.448 0.00 A 30 GLU CA C 13 60.365 0.00 A 30 GLU CB C 13 29.356 0.00 A 30 GLU CG C 13 36.882 0.00 A 30 GLU N N 15 123.610 0.00 A 31 ARG H H 1 8.427 0.00 A 31 ARG HA H 1 4.024 0.00 A 31 ARG HB2 H 1 1.873 0.00 A 31 ARG HB3 H 1 1.721 0.00 A 31 ARG HD2 H 1 3.155 0.00 A 31 ARG HD3 H 1 3.206 0.00 A 31 ARG HG2 H 1 1.540 0.00 A 31 ARG HG3 H 1 1.610 0.00 A 31 ARG C C 13 178.148 0.00 A 31 ARG CA C 13 58.931 0.00 A 31 ARG CB C 13 29.652 0.00 A 31 ARG CD C 13 43.045 0.00 A 31 ARG CG C 13 26.795 0.00 A 31 ARG N N 15 118.791 0.00 A 32 THR H H 1 7.853 0.00 A 32 THR HA H 1 3.733 0.00 A 32 THR HB H 1 4.191 0.00 A 32 THR HG2% H 1 1.094 0.00 A 32 THR C C 13 176.000 0.00 A 32 THR CA C 13 66.962 0.00 A 32 THR CB C 13 67.637 0.00 A 32 THR CG2 C 13 23.338 0.00 A 32 THR N N 15 117.107 0.00 A 33 VAL H H 1 7.923 0.00 A 33 VAL HA H 1 3.241 0.00 A 33 VAL HB H 1 2.230 0.00 A 33 VAL HG1% H 1 0.962 0.00 A 33 VAL HG2% H 1 1.142 0.00 A 33 VAL C C 13 176.800 0.00 A 33 VAL CA C 13 67.763 0.00 A 33 VAL CB C 13 31.384 0.00 A 33 VAL CG1 C 13 21.822 0.00 A 33 VAL CG2 C 13 21.822 0.00 A 33 VAL N N 15 120.091 0.00 A 34 SER H H 1 8.284 0.00 A 34 SER HA H 1 4.105 0.00 A 34 SER HB3 H 1 4.033 0.00 A 34 SER C C 13 177.280 0.00 A 34 SER CA C 13 62.038 0.00 A 34 SER CB C 13 62.792 0.00 A 34 SER N N 15 114.854 0.00 A 35 LEU H H 1 7.947 0.00 A 35 LEU HA H 1 4.034 0.00 A 35 LEU HB2 H 1 1.251 0.00 A 35 LEU HB3 H 1 1.950 0.00 A 35 LEU HD1% H 1 0.810 0.00 A 35 LEU HD2% H 1 0.810 0.00 A 35 LEU HG H 1 1.866 0.00 A 35 LEU C C 13 179.872 0.00 A 35 LEU CA C 13 58.264 0.00 A 35 LEU CB C 13 42.061 0.00 A 35 LEU CD1 C 13 25.658 0.00 A 35 LEU CD2 C 13 25.658 0.00 A 35 LEU CG C 13 26.647 0.00 A 35 LEU N N 15 120.796 0.00 A 36 LYS H H 1 7.632 0.00 A 36 LYS HA H 1 4.292 0.00 A 36 LYS HB2 H 1 0.951 0.00 A 36 LYS HB3 H 1 -0.028 0.00 A 36 LYS HD3 H 1 0.348 0.00 A 36 LYS HE2 H 1 2.623 0.00 A 36 LYS HE3 H 1 2.216 0.00 A 36 LYS HG2 H 1 0.703 0.00 A 36 LYS HG3 H 1 0.944 0.00 A 36 LYS C C 13 179.958 0.00 A 36 LYS CA C 13 58.208 0.00 A 36 LYS CB C 13 30.847 0.00 A 36 LYS CD C 13 28.276 0.00 A 36 LYS CE C 13 42.112 0.00 A 36 LYS CG C 13 26.579 0.00 A 36 LYS N N 15 120.480 0.00 A 37 LEU H H 1 8.191 0.00 A 37 LEU HA H 1 4.070 0.00 A 37 LEU HB2 H 1 1.879 0.00 A 37 LEU HB3 H 1 1.539 0.00 A 37 LEU HD1% H 1 0.798 0.00 A 37 LEU HG H 1 0.802 0.00 A 37 LEU C C 13 176.820 0.00 A 37 LEU CA C 13 56.395 0.00 A 37 LEU CB C 13 41.661 0.00 A 37 LEU CD1 C 13 23.160 0.00 A 37 LEU CG C 13 26.154 0.00 A 37 LEU N N 15 118.349 0.00 A 38 ASN H H 1 7.572 0.00 A 38 ASN HA H 1 5.016 0.00 A 38 ASN HB2 H 1 2.693 0.00 A 38 ASN HB3 H 1 2.968 0.00 A 38 ASN HD21 H 1 6.923 0.00 A 38 ASN HD22 H 1 7.769 0.00 A 38 ASN C C 13 174.205 0.00 A 38 ASN CA C 13 53.163 0.00 A 38 ASN CB C 13 39.599 0.00 A 38 ASN N N 15 115.041 0.00 A 38 ASN ND2 N 15 113.881 0.00 A 39 ASP H H 1 7.942 0.00 A 39 ASP HA H 1 4.903 0.00 A 39 ASP HB2 H 1 2.746 0.00 A 39 ASP HB3 H 1 3.266 0.00 A 39 ASP C C 13 175.610 0.00 A 39 ASP CA C 13 56.008 0.00 A 39 ASP CB C 13 40.487 0.00 A 39 ASP N N 15 115.903 0.00 A 40 LYS H H 1 8.394 0.00 A 40 LYS HA H 1 4.403 0.00 A 40 LYS HB2 H 1 1.851 0.00 A 40 LYS HB3 H 1 1.928 0.00 A 40 LYS HG2 H 1 1.537 0.00 A 40 LYS HG3 H 1 1.396 0.00 A 40 LYS C C 13 176.854 0.00 A 40 LYS CA C 13 56.178 0.00 A 40 LYS CB C 13 33.253 0.00 A 40 LYS N N 15 114.830 0.00 A 41 VAL H H 1 7.122 0.00 A 41 VAL HA H 1 4.235 0.00 A 41 VAL HB H 1 1.526 0.00 A 41 VAL HG1% H 1 0.856 0.00 A 41 VAL HG2% H 1 0.914 0.00 A 41 VAL C C 13 174.963 0.00 A 41 VAL CA C 13 60.387 0.00 A 41 VAL CB C 13 35.285 0.00 A 41 VAL CG1 C 13 22.295 0.00 A 41 VAL CG2 C 13 21.114 0.00 A 41 VAL N N 15 118.155 0.00 A 42 THR H H 1 8.245 0.00 A 42 THR HA H 1 4.372 0.00 A 42 THR HB H 1 4.343 0.00 A 42 THR HG1 H 1 4.759 0.00 A 42 THR HG2% H 1 1.370 0.00 A 42 THR C C 13 176.436 0.00 A 42 THR CA C 13 62.206 0.00 A 42 THR CB C 13 70.184 0.00 A 42 THR CG2 C 13 22.330 0.00 A 42 THR N N 15 117.661 0.00 A 43 TRP H H 1 8.947 0.00 A 43 TRP HA H 1 4.313 0.00 A 43 TRP HB2 H 1 3.130 0.00 A 43 TRP HB3 H 1 3.183 0.00 A 43 TRP HD1 H 1 7.616 0.00 A 43 TRP HE3 H 1 6.813 0.00 A 43 TRP HZ2 H 1 6.936 0.00 A 43 TRP HZ3 H 1 7.035 0.00 A 43 TRP C C 13 176.306 0.00 A 43 TRP CA C 13 58.191 0.00 A 43 TRP CB C 13 29.401 0.00 A 43 TRP CD1 C 13 120.815 0.00 A 43 TRP CE3 C 13 119.991 0.00 A 43 TRP CZ2 C 13 113.516 0.00 A 43 TRP CZ3 C 13 121.728 0.00 A 43 TRP N N 15 124.426 0.00 A 44 LYS H H 1 8.953 0.00 A 44 LYS HA H 1 4.612 0.00 A 44 LYS HB2 H 1 1.590 0.00 A 44 LYS HB3 H 1 2.162 0.00 A 44 LYS HD3 H 1 1.680 0.00 A 44 LYS HE3 H 1 3.006 0.00 A 44 LYS HG2 H 1 1.460 0.00 A 44 LYS HG3 H 1 1.512 0.00 A 44 LYS C C 13 178.193 0.00 A 44 LYS CA C 13 54.906 0.00 A 44 LYS CB C 13 33.709 0.00 A 44 LYS CD C 13 28.654 0.00 A 44 LYS CE C 13 42.006 0.00 A 44 LYS CG C 13 25.465 0.00 A 44 LYS N N 15 123.199 0.00 A 45 ASP H H 1 9.050 0.00 A 45 ASP HA H 1 4.236 0.00 A 45 ASP HB3 H 1 2.682 0.00 A 45 ASP C C 13 178.173 0.00 A 45 ASP CA C 13 58.566 0.00 A 45 ASP CB C 13 40.138 0.00 A 45 ASP N N 15 123.264 0.00 A 46 ASP H H 1 8.936 0.00 A 46 ASP HA H 1 4.291 0.00 A 46 ASP HB2 H 1 2.700 0.00 A 46 ASP HB3 H 1 2.591 0.00 A 46 ASP C C 13 179.033 0.00 A 46 ASP CA C 13 56.442 0.00 A 46 ASP CB C 13 39.437 0.00 A 46 ASP N N 15 115.805 0.00 A 47 GLU H H 1 7.177 0.00 A 47 GLU HA H 1 4.049 0.00 A 47 GLU HB2 H 1 2.060 0.00 A 47 GLU HB3 H 1 2.969 0.00 A 47 GLU HG2 H 1 2.356 0.00 A 47 GLU HG3 H 1 2.409 0.00 A 47 GLU C C 13 178.259 0.00 A 47 GLU CA C 13 58.181 0.00 A 47 GLU CB C 13 30.164 0.00 A 47 GLU CG C 13 35.950 0.00 A 47 GLU N N 15 121.378 0.00 A 48 ILE H H 1 7.985 0.00 A 48 ILE HA H 1 2.780 0.00 A 48 ILE HB H 1 1.633 0.00 A 48 ILE HD1% H 1 0.510 0.00 A 48 ILE HG12 H 1 -0.469 0.00 A 48 ILE HG13 H 1 1.423 0.00 A 48 ILE HG2% H 1 0.012 0.00 A 48 ILE C C 13 177.295 0.00 A 48 ILE CA C 13 65.573 0.00 A 48 ILE CB C 13 37.196 0.00 A 48 ILE CD1 C 13 13.228 0.00 A 48 ILE CG1 C 13 28.742 0.00 A 48 ILE CG2 C 13 16.083 0.00 A 48 ILE N N 15 120.704 0.00 A 49 LEU H H 1 7.461 0.00 A 49 LEU HA H 1 3.815 0.00 A 49 LEU HB2 H 1 1.691 0.00 A 49 LEU HB3 H 1 1.502 0.00 A 49 LEU HD1% H 1 0.822 0.00 A 49 LEU HD2% H 1 0.853 0.00 A 49 LEU HG H 1 1.670 0.00 A 49 LEU C C 13 179.442 0.00 A 49 LEU CA C 13 57.830 0.00 A 49 LEU CB C 13 41.178 0.00 A 49 LEU CD1 C 13 22.838 0.00 A 49 LEU CD2 C 13 24.484 0.00 A 49 LEU CG C 13 26.774 0.00 A 49 LEU N N 15 116.621 0.00 A 50 LYS H H 1 7.651 0.00 A 50 LYS HA H 1 4.139 0.00 A 50 LYS HB2 H 1 1.981 0.00 A 50 LYS HB3 H 1 1.905 0.00 A 50 LYS HD2 H 1 1.767 0.00 A 50 LYS HD3 H 1 1.717 0.00 A 50 LYS HE2 H 1 2.971 0.00 A 50 LYS HE3 H 1 2.783 0.00 A 50 LYS HG3 H 1 1.608 0.00 A 50 LYS C C 13 178.250 0.00 A 50 LYS CA C 13 59.540 0.00 A 50 LYS CB C 13 32.224 0.00 A 50 LYS CD C 13 29.436 0.00 A 50 LYS CE C 13 42.128 0.00 A 50 LYS CG C 13 25.387 0.00 A 50 LYS N N 15 120.399 0.00 A 51 ALA H H 1 8.608 0.00 A 51 ALA HA H 1 4.235 0.00 A 51 ALA HB% H 1 1.614 0.00 A 51 ALA C C 13 179.378 0.00 A 51 ALA CA C 13 55.927 0.00 A 51 ALA CB C 13 18.175 0.00 A 51 ALA N N 15 122.421 0.00 A 52 VAL H H 1 8.421 0.00 A 52 VAL HA H 1 3.350 0.00 A 52 VAL HB H 1 2.310 0.00 A 52 VAL HG1% H 1 0.760 0.00 A 52 VAL HG2% H 1 0.925 0.00 A 52 VAL C C 13 177.514 0.00 A 52 VAL CA C 13 66.477 0.00 A 52 VAL CB C 13 31.219 0.00 A 52 VAL CG1 C 13 23.609 0.00 A 52 VAL CG2 C 13 23.609 0.00 A 52 VAL N N 15 117.556 0.00 A 53 HIS H H 1 7.430 0.00 A 53 HIS HA H 1 4.518 0.00 A 53 HIS HB2 H 1 3.437 0.00 A 53 HIS HB3 H 1 3.329 0.00 A 53 HIS HE1 H 1 8.418 0.00 A 53 HIS C C 13 178.503 0.00 A 53 HIS CA C 13 58.742 0.00 A 53 HIS CB C 13 29.254 0.00 A 53 HIS CE1 C 13 136.287 0.00 A 53 HIS N N 15 117.024 0.00 A 54 VAL H H 1 8.877 0.00 A 54 VAL HA H 1 3.590 0.00 A 54 VAL HB H 1 2.127 0.00 A 54 VAL HG1% H 1 0.910 0.00 A 54 VAL HG2% H 1 0.995 0.00 A 54 VAL C C 13 176.783 0.00 A 54 VAL CA C 13 66.100 0.00 A 54 VAL CB C 13 32.863 0.00 A 54 VAL CG1 C 13 21.544 0.00 A 54 VAL CG2 C 13 21.544 0.00 A 54 VAL N N 15 121.391 0.00 A 55 LEU H H 1 8.329 0.00 A 55 LEU HA H 1 4.120 0.00 A 55 LEU HB2 H 1 1.605 0.00 A 55 LEU HB3 H 1 1.264 0.00 A 55 LEU HD1% H 1 0.681 0.00 A 55 LEU HD2% H 1 0.474 0.00 A 55 LEU HG H 1 1.871 0.00 A 55 LEU C C 13 173.902 0.00 A 55 LEU CA C 13 53.783 0.00 A 55 LEU CB C 13 41.183 0.00 A 55 LEU CD1 C 13 23.182 0.00 A 55 LEU CD2 C 13 23.182 0.00 A 55 LEU CG C 13 26.700 0.00 A 55 LEU N N 15 113.908 0.00 A 56 GLU H H 1 7.483 0.00 A 56 GLU HA H 1 3.891 0.00 A 56 GLU HB2 H 1 2.112 0.00 A 56 GLU HB3 H 1 2.058 0.00 A 56 GLU HG2 H 1 2.186 0.00 A 56 GLU HG3 H 1 2.080 0.00 A 56 GLU C C 13 175.991 0.00 A 56 GLU CA C 13 56.695 0.00 A 56 GLU CB C 13 27.084 0.00 A 56 GLU CG C 13 36.909 0.00 A 56 GLU N N 15 115.646 0.00 A 57 LEU H H 1 8.249 0.00 A 57 LEU HA H 1 4.334 0.00 A 57 LEU HB2 H 1 1.486 0.00 A 57 LEU HB3 H 1 1.399 0.00 A 57 LEU HD1% H 1 0.257 0.00 A 57 LEU HD2% H 1 0.354 0.00 A 57 LEU HG H 1 1.429 0.00 A 57 LEU C C 13 175.898 0.00 A 57 LEU CA C 13 53.139 0.00 A 57 LEU CB C 13 42.333 0.00 A 57 LEU CD1 C 13 24.276 0.00 A 57 LEU CD2 C 13 24.276 0.00 A 57 LEU CG C 13 26.073 0.00 A 57 LEU N N 15 116.871 0.00 A 58 ASN H H 1 8.957 0.00 A 58 ASN HA H 1 4.985 0.00 A 58 ASN HB2 H 1 2.742 0.00 A 58 ASN HB3 H 1 2.938 0.00 A 58 ASN HD21 H 1 7.812 0.00 A 58 ASN HD22 H 1 7.024 0.00 A 58 ASN C C 13 175.639 0.00 A 58 ASN CA C 13 50.673 0.00 A 58 ASN CB C 13 39.130 0.00 A 58 ASN N N 15 120.681 0.00 A 58 ASN ND2 N 15 114.237 0.00 A 59 PRO HA H 1 4.091 0.00 A 59 PRO HB2 H 1 1.977 0.00 A 59 PRO HB3 H 1 2.321 0.00 A 59 PRO HD2 H 1 3.848 0.00 A 59 PRO HD3 H 1 3.957 0.00 A 59 PRO HG2 H 1 2.152 0.00 A 59 PRO HG3 H 1 1.962 0.00 A 59 PRO C C 13 178.714 0.00 A 59 PRO CA C 13 65.226 0.00 A 59 PRO CB C 13 31.699 0.00 A 59 PRO CD C 13 50.672 0.00 A 59 PRO CG C 13 27.807 0.00 A 60 GLN H H 1 8.683 0.00 A 60 GLN HA H 1 4.108 0.00 A 60 GLN HB2 H 1 2.063 0.00 A 60 GLN HB3 H 1 1.976 0.00 A 60 GLN HE21 H 1 7.588 0.00 A 60 GLN HE22 H 1 6.908 0.00 A 60 GLN HG2 H 1 2.435 0.00 A 60 GLN HG3 H 1 2.380 0.00 A 60 GLN C C 13 176.643 0.00 A 60 GLN CA C 13 57.898 0.00 A 60 GLN CB C 13 27.987 0.00 A 60 GLN CG C 13 33.989 0.00 A 60 GLN N N 15 116.267 0.00 A 60 GLN NE2 N 15 112.312 0.00 A 61 ASP H H 1 8.373 0.00 A 61 ASP HA H 1 4.898 0.00 A 61 ASP HB2 H 1 3.078 0.00 A 61 ASP HB3 H 1 2.945 0.00 A 61 ASP C C 13 176.704 0.00 A 61 ASP CA C 13 54.625 0.00 A 61 ASP CB C 13 41.824 0.00 A 61 ASP N N 15 117.019 0.00 A 62 ILE H H 1 7.561 0.00 A 62 ILE HA H 1 3.872 0.00 A 62 ILE HB H 1 2.076 0.00 A 62 ILE HD1% H 1 0.919 0.00 A 62 ILE HG12 H 1 1.803 0.00 A 62 ILE HG13 H 1 0.758 0.00 A 62 ILE HG2% H 1 0.958 0.00 A 62 ILE C C 13 174.778 0.00 A 62 ILE CA C 13 68.776 0.00 A 62 ILE CB C 13 36.500 0.00 A 62 ILE CD1 C 13 13.694 0.00 A 62 ILE CG1 C 13 31.786 0.00 A 62 ILE CG2 C 13 17.481 0.00 A 62 ILE N N 15 120.498 0.00 A 63 PRO HA H 1 4.458 0.00 A 63 PRO HB2 H 1 1.905 0.00 A 63 PRO HB3 H 1 2.469 0.00 A 63 PRO HD2 H 1 2.937 0.00 A 63 PRO HD3 H 1 3.717 0.00 A 63 PRO HG2 H 1 2.163 0.00 A 63 PRO HG3 H 1 2.003 0.00 A 63 PRO C C 13 178.070 0.00 A 63 PRO CA C 13 66.499 0.00 A 63 PRO CB C 13 30.903 0.00 A 63 PRO CD C 13 49.898 0.00 A 63 PRO CG C 13 28.365 0.00 A 64 LYS H H 1 7.240 0.00 A 64 LYS HA H 1 3.966 0.00 A 64 LYS HB2 H 1 1.602 0.00 A 64 LYS HB3 H 1 1.708 0.00 A 64 LYS HD3 H 1 1.445 0.00 A 64 LYS HE3 H 1 2.761 0.00 A 64 LYS HG2 H 1 1.159 0.00 A 64 LYS HG3 H 1 0.930 0.00 A 64 LYS C C 13 176.691 0.00 A 64 LYS CA C 13 58.099 0.00 A 64 LYS CB C 13 32.186 0.00 A 64 LYS CD C 13 29.420 0.00 A 64 LYS CE C 13 41.964 0.00 A 64 LYS CG C 13 24.584 0.00 A 64 LYS N N 15 115.058 0.00 A 65 TYR H H 1 7.501 0.00 A 65 TYR HA H 1 4.323 0.00 A 65 TYR HB2 H 1 2.164 0.00 A 65 TYR HB3 H 1 2.393 0.00 A 65 TYR HDx H 1 6.810 0.00 A 65 TYR HDy H 1 6.810 0.00 A 65 TYR HEx H 1 6.627 0.00 A 65 TYR HEy H 1 6.627 0.00 A 65 TYR C C 13 175.522 0.00 A 65 TYR CA C 13 59.866 0.00 A 65 TYR CB C 13 40.815 0.00 A 65 TYR CD1 C 13 132.450 0.00 A 65 TYR CE1 C 13 117.887 0.00 A 65 TYR N N 15 113.860 0.00 A 66 PHE H H 1 8.390 0.00 A 66 PHE HA H 1 4.334 0.00 A 66 PHE HB2 H 1 2.166 0.00 A 66 PHE HB3 H 1 2.296 0.00 A 66 PHE HDx H 1 6.627 0.00 A 66 PHE HDy H 1 6.627 0.00 A 66 PHE HEx H 1 5.849 0.00 A 66 PHE HEy H 1 5.849 0.00 A 66 PHE HZ H 1 6.350 0.00 A 66 PHE C C 13 173.689 0.00 A 66 PHE CA C 13 58.962 0.00 A 66 PHE CB C 13 39.974 0.00 A 66 PHE CD2 C 13 131.979 0.00 A 66 PHE CE2 C 13 130.112 0.00 A 66 PHE CZ C 13 128.410 0.00 A 66 PHE N N 15 114.118 0.00 A 67 PHE H H 1 7.320 0.00 A 67 PHE HA H 1 4.470 0.00 A 67 PHE HB2 H 1 3.305 0.00 A 67 PHE HB3 H 1 2.722 0.00 A 67 PHE HDx H 1 7.020 0.00 A 67 PHE HDy H 1 7.020 0.00 A 67 PHE HEx H 1 7.180 0.00 A 67 PHE HEy H 1 7.180 0.00 A 67 PHE C C 13 175.462 0.00 A 67 PHE CA C 13 55.782 0.00 A 67 PHE CB C 13 38.947 0.00 A 67 PHE CD1 C 13 131.950 0.00 A 67 PHE CE1 C 13 130.882 0.00 A 67 PHE N N 15 116.208 0.00 A 68 ASN H H 1 8.673 0.00 A 68 ASN HA H 1 4.729 0.00 A 68 ASN HB2 H 1 2.681 0.00 A 68 ASN HB3 H 1 3.044 0.00 A 68 ASN HD21 H 1 6.811 0.00 A 68 ASN HD22 H 1 7.335 0.00 A 68 ASN C C 13 173.970 0.00 A 68 ASN CA C 13 52.651 0.00 A 68 ASN CB C 13 38.246 0.00 A 68 ASN N N 15 121.231 0.00 A 68 ASN ND2 N 15 111.799 0.00 A 69 ALA H H 1 8.252 0.00 A 69 ALA HA H 1 4.342 0.00 A 69 ALA HB% H 1 1.345 0.00 A 69 ALA C C 13 177.323 0.00 A 69 ALA CA C 13 52.453 0.00 A 69 ALA CB C 13 19.568 0.00 A 69 ALA N N 15 127.331 0.00 A 70 LYS H H 1 8.305 0.00 A 70 LYS HA H 1 4.285 0.00 A 70 LYS HB2 H 1 1.534 0.00 A 70 LYS HB3 H 1 1.709 0.00 A 70 LYS HD3 H 1 1.601 0.00 A 70 LYS HE3 H 1 2.921 0.00 A 70 LYS HG2 H 1 1.296 0.00 A 70 LYS HG3 H 1 1.327 0.00 A 70 LYS C C 13 176.173 0.00 A 70 LYS CA C 13 56.256 0.00 A 70 LYS CB C 13 33.194 0.00 A 70 LYS CD C 13 29.157 0.00 A 70 LYS CE C 13 41.961 0.00 A 70 LYS CG C 13 24.947 0.00 A 70 LYS N N 15 121.531 0.00 A 71 VAL H H 1 8.177 0.00 A 71 VAL HA H 1 4.098 0.00 A 71 VAL HB H 1 2.000 0.00 A 71 VAL HG1% H 1 0.868 0.00 A 71 VAL HG2% H 1 0.898 0.00 A 71 VAL C C 13 175.105 0.00 A 71 VAL CA C 13 62.240 0.00 A 71 VAL CB C 13 32.729 0.00 A 71 VAL CG1 C 13 20.764 0.00 A 71 VAL N N 15 122.228 0.00 A 72 HIS H H 1 8.003 0.00 A 72 HIS HA H 1 4.440 0.00 A 72 HIS HB2 H 1 3.178 0.00 A 72 HIS HB3 H 1 3.060 0.00 A 72 HIS HE1 H 1 8.293 0.00 A 72 HIS C C 13 178.879 0.00 A 72 HIS CA C 13 56.867 0.00 A 72 HIS CB C 13 30.344 0.00 A 72 HIS CE1 C 13 137.292 0.00 A 72 HIS N N 15 126.994 0.00 stop_ save_ save_DYANA/DIANA_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_3 _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 42 THR H A 42 THR HB 1.0 . 3.67 2 2 A 62 ILE HA A 66 PHE HD% 1.0 . 3.45 3 3 A 62 ILE HA A 62 ILE HG13 1.0 . 3.56 4 4 A 62 ILE HA A 62 ILE HD1% 1.0 . 3.58 5 5 A 62 ILE HA A 62 ILE HG2% 1.0 . 3.99 6 6 A 62 ILE HA A 62 ILE HG12 1.0 . 3.41 7 7 A 33 VAL HA A 36 LYS HDx 1.0 . 4.03 8 8 A 28 LEU HA A 32 THR HB 1.0 . 4.38 9 9 A 33 VAL HA A 33 VAL HG1% 1.0 . 3.21 10 10 A 32 THR HB A 28 LEU HB3 1.0 . 4.23 11 11 A 32 THR HA A 35 LEU HB2 1.0 . 4.00 12 12 A 13 THR HA A 17 GLY HA3 1.0 . 4.08 13 13 A 63 PRO HA A 67 PHE HB3 1.0 . 4.21 14 14 A 32 THR HA A 35 LEU H 1.0 . 3.42 15 15 A 13 THR HA A 12 ILE HG2% 1.0 . 4.68 16 16 A 63 PRO HA A 67 PHE HD% 1.0 . 3.78 17 17 A 52 VAL HA A 57 LEU HG 1.0 . 3.00 18 18 A 52 VAL HA A 52 VAL HG2% 1.0 . 3.20 19 19 A 52 VAL HA A 52 VAL HG1% 1.0 . 3.40 20 20 A 52 VAL HA A 57 LEU HD1% 1.0 . 3.44 21 21 A 54 VAL HA A 54 VAL HG2% 1.0 . 2.88 22 22 A 12 ILE HA A 15 LYS HB2 1.0 . 4.00 23 23 A 12 ILE HA A 12 ILE HG12 1.0 . 3.38 24 24 A 12 ILE HA A 55 LEU HD1% 1.0 . 3.22 25 25 A 12 ILE HA A 12 ILE HG13 1.0 . 3.35 26 26 A 48 ILE HA A 51 ALA H 1.0 . 3.78 27 27 A 48 ILE HA A 51 ALA HB% 1.0 . 3.82 28 28 A 48 ILE HA A 48 ILE HG12 1.0 . 3.50 29 29 A 48 ILE HA A 48 ILE HD1% 1.0 . 4.22 30 30 A 48 ILE HA A 48 ILE HG2% 1.0 . 3.33 31 31 A 48 ILE HA A 48 ILE HG13 1.0 . 3.22 32 32 A 62 ILE HG13 A 59 PRO HA 1.0 . 3.35 33 33 A 62 ILE HD1% A 59 PRO HA 1.0 . 3.22 34 34 A 59 PRO HA A 62 ILE H 1.0 . 4.22 35 35 A 24 ILE HA A 24 ILE HG2% 1.0 . 3.19 36 36 A 24 ILE HA A 24 ILE HG13 1.0 . 3.66 37 37 A 35 LEU H A 34 SER HBx 1.0 . 3.37 38 38 A 34 SER HBx A 35 LEU HD1% 1.0 . 4.71 39 38 A 34 SER HBx A 35 LEU HD2% 1.0 . 4.71 40 39 A 42 THR HA A 43 TRP H 1.0 . 2.76 41 40 A 42 THR HA A 42 THR HG2% 1.0 . 3.20 42 41 A 71 VAL HA A 71 VAL HG1% 1.0 . 3.17 43 42 A 71 VAL HA A 72 HIS H 1.0 . 2.87 44 43 A 34 SER HA A 37 LEU HB3 1.0 . 3.37 45 44 A 7 SER HB3 A 65 TYR HD% 1.0 . 4.20 46 45 A 20 TYR HA A 23 ALA HB% 1.0 . 3.44 47 46 A 22 PHE HA A 22 PHE HD% 1.0 . 3.46 48 47 A 42 THR H A 41 VAL HA 1.0 . 2.75 49 48 A 41 VAL HA A 41 VAL HG1% 1.0 . 3.15 50 49 A 65 TYR HD% A 65 TYR HA 1.0 . 3.42 51 50 A 22 PHE HD% A 19 GLN HA 1.0 . 4.08 52 51 A 19 GLN HA A 18 THR HA 1.0 . 4.36 53 52 A 19 GLN HA A 19 GLN HG2 1.0 . 3.69 54 53 A 19 GLN HA A 19 GLN HG3 1.0 . 3.30 55 54 A 19 GLN HA A 22 PHE HB2 1.0 . 3.03 56 55 A 65 TYR HA A 8 LEU HD2% 1.0 . 4.38 57 55 A 65 TYR HA A 8 LEU HD1% 1.0 . 4.38 58 56 A 13 THR HG2% A 14 GLU HA 1.0 . 4.23 59 57 A 50 LYS HA A 50 LYS HB2 1.0 . 2.82 60 58 A 50 LYS HA A 50 LYS HGx 1.0 . 3.06 61 59 A 14 GLU HA A 14 GLU HG3 1.0 . 3.28 62 60 A 14 GLU HA A 14 GLU HBx 1.0 . 2.73 63 61 A 54 VAL HG2% A 50 LYS HA 1.0 . 4.46 64 62 A 52 VAL HG1% A 53 HIS HA 1.0 . 4.77 65 63 A 31 ARG HA A 31 ARG HD2 1.0 . 4.27 66 64 A 31 ARG HA A 31 ARG HD3 1.0 . 4.35 67 65 A 5 TYR HE% A 66 PHE HA 1.0 . 3.54 68 66 A 31 ARG HA A 31 ARG HG2 1.0 . 3.68 69 67 A 48 ILE HG2% A 45 ASP HA 1.0 . 4.70 70 68 A 45 ASP HA A 48 ILE H 1.0 . 3.62 71 69 A 45 ASP HA A 47 GLU H 1.0 . 3.97 72 70 A 45 ASP HA A 45 ASP HBx 1.0 . 2.65 73 71 A 45 ASP HA A 48 ILE HB 1.0 . 3.24 74 72 A 48 ILE HD1% A 45 ASP HA 1.0 . 3.38 75 73 A 35 LEU HA A 35 LEU HG 1.0 . 3.19 76 74 A 48 ILE HG12 A 45 ASP HA 1.0 . 4.33 77 75 A 48 ILE HG13 A 45 ASP HA 1.0 . 4.07 78 76 A 12 ILE HG2% A 9 LEU HA 1.0 . 4.85 79 77 A 36 LYS HA A 41 VAL H 1.0 . 3.49 80 78 A 36 LYS HA A 41 VAL HB 1.0 . 4.66 81 79 A 36 LYS HA A 36 LYS HG3 1.0 . 3.15 82 80 A 35 LEU HA A 35 LEU HD1% 1.0 . 2.93 83 80 A 35 LEU HD2% A 35 LEU HA 1.0 . 2.93 84 81 A 9 LEU HA A 12 ILE HD1% 1.0 . 3.18 85 82 A 9 LEU HA A 12 ILE HB 1.0 . 2.80 86 83 A 43 TRP HA A 44 LYS H 1.0 . 2.78 87 84 A 36 LYS HDx A 36 LYS HA 1.0 . 3.90 88 85 A 43 TRP HA A 43 TRP HD1 1.0 . 4.02 89 86 A 47 GLU HA A 47 GLU HG2 1.0 . 3.38 90 86 A 47 GLU HA A 47 GLU HG3 1.0 . 3.38 91 87 A 35 LEU HA A 38 ASN HB3 1.0 . 4.37 92 88 A 47 GLU HA A 46 ASP HB3 1.0 . 5.23 93 89 A 60 GLN HA A 60 GLN HG2 1.0 . 3.41 94 90 A 64 LYS HA A 64 LYS HG3 1.0 . 3.70 95 91 A 64 LYS HA A 64 LYS HG2 1.0 . 3.94 96 92 A 49 LEU HA A 52 VAL H 1.0 . 3.91 97 93 A 49 LEU HA A 52 VAL HB 1.0 . 3.24 98 94 A 49 LEU HA A 49 LEU HG 1.0 . 3.51 99 95 A 49 LEU HA A 49 LEU HD2% 1.0 . 3.03 100 95 A 49 LEU HA A 49 LEU HD1% 1.0 . 3.03 101 96 A 48 ILE HG2% A 49 LEU HA 1.0 . 5.04 102 97 A 2 SER HA A 3 TYR HD% 1.0 . 4.78 103 98 A 29 SER HA A 30 GLU HA 1.0 . 4.48 104 99 A 23 ALA HB% A 29 SER HA 1.0 . 4.44 105 100 A 29 SER HA A 29 SER HB2 1.0 . 2.89 106 101 A 11 LYS HA A 14 GLU H 1.0 . 3.83 107 102 A 56 GLU HA A 57 LEU H 1.0 . 3.21 108 103 A 56 GLU HA A 56 GLU HB2 1.0 . 2.88 109 103 A 56 GLU HA A 56 GLU HB3 1.0 . 2.88 110 104 A 56 GLU HA A 56 GLU HG2 1.0 . 3.63 111 105 A 11 LYS HA A 11 LYS HG3 1.0 . 3.93 112 105 A 11 LYS HA A 11 LYS HG2 1.0 . 3.93 113 106 A 14 GLU HBx A 11 LYS HA 1.0 . 3.48 114 107 A 26 MET HE% A 51 ALA HA 1.0 . 4.01 115 108 A 46 ASP HA A 49 LEU H 1.0 . 4.13 116 109 A 46 ASP HA A 49 LEU HD2% 1.0 . 3.74 117 109 A 49 LEU HD1% A 46 ASP HA 1.0 . 3.74 118 110 A 70 LYS HA A 71 VAL HG1% 1.0 . 4.96 119 111 A 70 LYS HA A 70 LYS HG2 1.0 . 3.71 120 111 A 70 LYS HA A 70 LYS HG3 1.0 . 3.71 121 112 A 37 LEU HA A 43 TRP HZ2 1.0 . 4.09 122 113 A 37 LEU HA A 37 LEU HG 1.0 . 3.15 123 114 A 37 LEU HA A 37 LEU HD1% 1.0 . 3.49 124 115 A 14 GLU H A 15 LYS HA 1.0 . 5.50 125 116 A 41 VAL HG1% A 40 LYS HA 1.0 . 4.86 126 117 A 23 ALA HA A 26 MET HB2 1.0 . 3.70 127 118 A 23 ALA HA A 33 VAL HG2% 1.0 . 4.19 128 119 A 15 LYS HA A 15 LYS HD3 1.0 . 2.62 129 119 A 15 LYS HA A 15 LYS HD2 1.0 . 2.62 130 120 A 23 ALA HA A 28 LEU H 1.0 . 3.50 131 121 A 33 VAL HG1% A 23 ALA HA 1.0 . 3.24 132 122 A 23 ALA HA A 28 LEU HD2% 1.0 . 4.80 133 123 A 51 ALA HA A 54 VAL HB 1.0 . 2.88 134 124 A 22 PHE HD% A 51 ALA HA 1.0 . 3.56 135 124 A 51 ALA HA A 22 PHE HE% 1.0 . 3.56 136 125 A 54 VAL HG2% A 51 ALA HA 1.0 . 3.44 137 126 A 21 ASN HA A 24 ILE HB 1.0 . 3.11 138 127 A 51 ALA HA A 55 LEU HD2% 1.0 . 4.73 139 128 A 21 ASN HA A 21 ASN HB3 1.0 . 2.99 140 129 A 24 ILE HG13 A 21 ASN HA 1.0 . 4.15 141 130 A 21 ASN HA A 24 ILE HD1% 1.0 . 3.81 142 131 A 61 ASP HA A 64 LYS HEx 1.0 . 5.50 143 132 A 61 ASP HA A 58 ASN HB3 1.0 . 5.50 144 133 A 61 ASP HA A 64 LYS HDx 1.0 . 4.45 145 134 A 26 MET HE% A 26 MET HA 1.0 . 4.13 146 135 A 26 MET HA A 26 MET HB3 1.0 . 2.89 147 136 A 55 LEU HD1% A 55 LEU HA 1.0 . 3.08 148 137 A 55 LEU HA A 54 VAL HG1% 1.0 . 4.93 149 138 A 37 LEU HB2 A 38 ASN HA 1.0 . 4.04 150 139 A 52 VAL HA A 57 LEU HA 1.0 . 4.62 151 140 A 52 VAL HG1% A 57 LEU HA 1.0 . 4.40 152 141 A 57 LEU HA A 58 ASN H 1.0 . 2.76 153 142 A 57 LEU HA A 57 LEU HD2% 1.0 . 3.01 154 143 A 57 LEU HA A 57 LEU HB2 1.0 . 2.71 155 144 A 3 TYR HD% A 69 ALA HA 1.0 . 3.79 156 145 A 58 ASN HD22 A 59 PRO HD3 1.0 . 4.64 157 146 A 59 PRO HD2 A 60 GLN H 1.0 . 4.39 158 147 A 52 VAL HG1% A 59 PRO HD3 1.0 . 5.22 159 148 A 60 GLN H A 58 ASN HA 1.0 . 4.16 160 149 A 59 PRO HD3 A 58 ASN HA 1.0 . 2.97 161 150 A 52 VAL HG1% A 59 PRO HD2 1.0 . 4.86 162 151 A 62 ILE HG12 A 59 PRO HD2 1.0 . 5.50 163 152 A 59 PRO HD2 A 58 ASN HA 1.0 . 2.99 164 153 A 58 ASN HA A 58 ASN HD21 1.0 . 4.13 165 154 A 62 ILE HG2% A 63 PRO HD2 1.0 . 4.55 166 155 A 62 ILE H A 63 PRO HD2 1.0 . 3.32 167 156 A 64 LYS HG3 A 63 PRO HD2 1.0 . 3.78 168 157 A 17 GLY HA3 A 13 THR HG2% 1.0 . 4.43 169 158 A 28 LEU HD2% A 28 LEU HB2 1.0 . 3.71 170 159 A 52 VAL HG2% A 57 LEU HB2 1.0 . 4.63 171 160 A 57 LEU HD1% A 57 LEU HB3 1.0 . 3.69 172 161 A 57 LEU H A 57 LEU HB2 1.0 . 3.76 173 162 A 52 VAL HA A 57 LEU HB3 1.0 . 3.78 174 163 A 52 VAL HA A 57 LEU HB2 1.0 . 4.27 175 164 A 50 LYS HGx A 50 LYS HE3 1.0 . 3.39 176 165 A 36 LYS HG2 A 36 LYS HE3 1.0 . 3.99 177 166 A 36 LYS HG2 A 36 LYS HE2 1.0 . 3.79 178 167 A 36 LYS HG3 A 36 LYS HE2 1.0 . 3.65 179 168 A 57 LEU H A 57 LEU HB3 1.0 . 3.85 180 169 A 57 LEU HD1% A 57 LEU HB2 1.0 . 3.66 181 170 A 15 LYS HA A 15 LYS HE2 1.0 . 4.68 182 171 A 50 LYS HA A 50 LYS HE3 1.0 . 3.63 183 172 A 64 LYS HG2 A 64 LYS HEx 1.0 . 4.04 184 173 A 35 LEU HB2 A 35 LEU H 1.0 . 3.51 185 174 A 35 LEU HB2 A 35 LEU HD1% 1.0 . 3.22 186 174 A 35 LEU HB2 A 35 LEU HD2% 1.0 . 3.22 187 175 A 35 LEU HB3 A 35 LEU HD1% 1.0 . 3.06 188 175 A 35 LEU HD2% A 35 LEU HB3 1.0 . 3.06 189 176 A 11 LYS HE2 A 11 LYS HG3 1.0 . 3.72 190 176 A 11 LYS HG2 A 11 LYS HE2 1.0 . 3.72 191 177 A 70 LYS HEx A 70 LYS HG2 1.0 . 3.75 192 177 A 70 LYS HG3 A 70 LYS HEx 1.0 . 3.75 193 178 A 57 LEU HD2% A 11 LYS HE3 1.0 . 4.21 194 179 A 37 LEU HD1% A 37 LEU HB2 1.0 . 3.58 195 180 A 57 LEU HD2% A 11 LYS HE2 1.0 . 4.23 196 181 A 46 ASP HA A 49 LEU HB3 1.0 . 4.08 197 182 A 49 LEU HB3 A 49 LEU HD2% 1.0 . 3.84 198 182 A 49 LEU HD1% A 49 LEU HB3 1.0 . 3.84 199 183 A 9 LEU HB3 A 9 LEU HD2% 1.0 . 4.04 200 184 A 49 LEU H A 49 LEU HB2 1.0 . 3.68 201 185 A 8 LEU HB3 A 8 LEU HD2% 1.0 . 3.62 202 185 A 8 LEU HD1% A 8 LEU HB3 1.0 . 3.62 203 186 A 8 LEU HB2 A 8 LEU HD2% 1.0 . 3.62 204 186 A 8 LEU HD1% A 8 LEU HB2 1.0 . 3.62 205 187 A 9 LEU HD2% A 9 LEU HB2 1.0 . 3.63 206 188 A 9 LEU HB3 A 6 SER HA 1.0 . 3.89 207 189 A 66 PHE HD% A 65 TYR HB2 1.0 . 4.25 208 190 A 65 TYR HB3 A 8 LEU HD2% 1.0 . 3.98 209 190 A 8 LEU HD1% A 65 TYR HB3 1.0 . 3.98 210 191 A 8 LEU HB3 A 65 TYR HB3 1.0 . 4.32 211 192 A 65 TYR HD% A 8 LEU HB2 1.0 . 4.63 212 193 A 66 PHE HD% A 65 TYR HB3 1.0 . 4.91 213 194 A 62 ILE HG2% A 66 PHE HB2 1.0 . 4.83 214 195 A 48 ILE HD1% A 66 PHE HB2 1.0 . 4.79 215 196 A 22 PHE H A 22 PHE HB3 1.0 . 3.37 216 197 A 22 PHE HB3 A 23 ALA H 1.0 . 3.64 217 198 A 19 GLN HA A 22 PHE HB3 1.0 . 3.73 218 199 A 12 ILE HG2% A 22 PHE HB3 1.0 . 3.78 219 200 A 12 ILE HG2% A 22 PHE HB2 1.0 . 4.06 220 201 A 35 LEU HA A 38 ASN HB2 1.0 . 4.38 221 202 A 38 ASN HB3 A 38 ASN H 1.0 . 3.46 222 203 A 38 ASN HB2 A 38 ASN H 1.0 . 3.75 223 204 A 46 ASP H A 46 ASP HB2 1.0 . 3.74 224 205 A 57 LEU HA A 58 ASN HB2 1.0 . 4.21 225 206 A 63 PRO HA A 67 PHE HB2 1.0 . 3.74 226 207 A 18 THR HG2% A 20 TYR HB2 1.0 . 4.96 227 208 A 20 TYR HB2 A 18 THR HG1 1.0 . 4.48 228 209 A 12 ILE HB A 9 LEU HD2% 1.0 . 4.72 229 210 A 5 TYR H A 5 TYR HB3 1.0 . 4.03 230 211 A 5 TYR H A 5 TYR HB2 1.0 . 3.94 231 212 A 37 LEU HD1% A 5 TYR HB3 1.0 . 4.06 232 213 A 8 LEU HB2 A 5 TYR HB3 1.0 . 3.96 233 214 A 21 ASN HB3 A 22 PHE H 1.0 . 3.42 234 215 A 23 ALA HB% A 30 GLU HG2 1.0 . 4.66 235 216 A 31 ARG HA A 30 GLU HG2 1.0 . 5.24 236 217 A 20 TYR HA A 30 GLU HG2 1.0 . 5.30 237 218 A 56 GLU H A 56 GLU HG3 1.0 . 4.17 238 219 A 56 GLU HA A 56 GLU HG3 1.0 . 3.71 239 220 A 30 GLU HA A 30 GLU HG2 1.0 . 3.97 240 221 A 30 GLU HA A 30 GLU HG3 1.0 . 4.16 241 222 A 23 ALA HB% A 30 GLU HG3 1.0 . 4.78 242 223 A 62 ILE H A 62 ILE HB 1.0 . 3.23 243 224 A 62 ILE HB A 61 ASP H 1.0 . 5.13 244 225 A 44 LYS HB3 A 47 GLU HG2 1.0 . 4.05 245 225 A 47 GLU HG3 A 44 LYS HB3 1.0 . 4.05 246 226 A 47 GLU H A 47 GLU HG2 1.0 . 4.27 247 226 A 47 GLU H A 47 GLU HG3 1.0 . 4.27 248 227 A 48 ILE H A 47 GLU HG2 1.0 . 4.98 249 227 A 48 ILE H A 47 GLU HG3 1.0 . 4.98 250 228 A 14 GLU H A 14 GLU HG2 1.0 . 4.01 251 229 A 14 GLU HA A 14 GLU HG2 1.0 . 3.79 252 230 A 44 LYS HB2 A 47 GLU HG2 1.0 . 2.40 253 230 A 47 GLU HG3 A 44 LYS HB2 1.0 . 2.40 254 231 A 19 GLN HG3 A 20 TYR H 1.0 . 4.52 255 232 A 12 ILE HG2% A 19 GLN HG3 1.0 . 4.77 256 233 A 60 GLN H A 60 GLN HG3 1.0 . 4.48 257 234 A 60 GLN HA A 60 GLN HG3 1.0 . 4.23 258 235 A 46 ASP H A 44 LYS HB3 1.0 . 4.26 259 236 A 44 LYS H A 44 LYS HB2 1.0 . 3.96 260 237 A 15 LYS HB2 A 15 LYS HE2 1.0 . 4.65 261 238 A 40 LYS HB2 A 35 LEU HD1% 1.0 . 3.87 262 238 A 35 LEU HD2% A 40 LYS HB2 1.0 . 3.87 263 239 A 15 LYS HB2 A 15 LYS H 1.0 . 3.52 264 240 A 40 LYS HB2 A 40 LYS H 1.0 . 3.96 265 241 A 26 MET HA A 26 MET HG3 1.0 . 4.23 266 242 A 22 PHE HD% A 54 VAL HB 1.0 . 4.70 267 242 A 54 VAL HB A 22 PHE HE% 1.0 . 4.70 268 243 A 15 LYS HB2 A 15 LYS HD3 1.0 . 3.28 269 243 A 15 LYS HB2 A 15 LYS HD2 1.0 . 3.28 270 244 A 26 MET HG3 A 26 MET H 1.0 . 3.99 271 245 A 22 PHE HD% A 26 MET HG3 1.0 . 4.90 272 245 A 22 PHE HE% A 26 MET HG3 1.0 . 4.90 273 246 A 15 LYS HB3 A 15 LYS HD3 1.0 . 3.40 274 246 A 15 LYS HD2 A 15 LYS HB3 1.0 . 3.40 275 247 A 50 LYS H A 50 LYS HB3 1.0 . 3.44 276 248 A 50 LYS HB2 A 50 LYS H 1.0 . 3.50 277 249 A 64 LYS H A 64 LYS HB2 1.0 . 3.68 278 250 A 64 LYS H A 64 LYS HB3 1.0 . 3.63 279 251 A 62 ILE HG12 A 59 PRO HA 1.0 . 4.57 280 252 A 62 ILE HG12 A 48 ILE HG2% 1.0 . 4.70 281 253 A 28 LEU H A 26 MET HB3 1.0 . 4.83 282 254 A 62 ILE HG12 A 62 ILE H 1.0 . 4.07 283 255 A 23 ALA HA A 26 MET HB3 1.0 . 4.36 284 256 A 62 ILE HG12 A 61 ASP H 1.0 . 4.48 285 257 A 30 GLU HA A 33 VAL HB 1.0 . 3.53 286 258 A 64 LYS H A 63 PRO HB3 1.0 . 4.10 287 259 A 67 PHE HB2 A 63 PRO HB2 1.0 . 3.92 288 260 A 64 LYS H A 63 PRO HB2 1.0 . 4.26 289 261 A 14 GLU HBx A 15 LYS HD3 1.0 . 4.57 290 261 A 14 GLU HBx A 15 LYS HD2 1.0 . 4.57 291 262 A 14 GLU HBx A 15 LYS H 1.0 . 3.49 292 263 A 14 GLU HBx A 13 THR HB 1.0 . 4.19 293 264 A 16 CYS H A 16 CYS HB2 1.0 . 3.82 294 265 A 16 CYS HB2 A 18 THR H 1.0 . 3.77 295 266 A 22 PHE H A 16 CYS HB2 1.0 . 4.87 296 267 A 12 ILE HG2% A 16 CYS HB2 1.0 . 4.26 297 268 A 12 ILE HG2% A 16 CYS HB3 1.0 . 4.08 298 269 A 18 THR H A 16 CYS HB3 1.0 . 4.07 299 270 A 47 GLU H A 47 GLU HB3 1.0 . 4.00 300 271 A 44 LYS H A 47 GLU HB3 1.0 . 4.71 301 272 A 50 LYS HA A 53 HIS HB3 1.0 . 4.55 302 273 A 54 VAL HG2% A 53 HIS HB3 1.0 . 4.78 303 274 A 48 ILE HD1% A 43 TRP HB2 1.0 . 4.43 304 275 A 48 ILE HG12 A 43 TRP HB3 1.0 . 4.07 305 276 A 48 ILE HG13 A 43 TRP HB3 1.0 . 4.62 306 277 A 53 HIS HB3 A 53 HIS H 1.0 . 3.36 307 278 A 50 LYS HA A 53 HIS HB2 1.0 . 4.24 308 279 A 48 ILE HG12 A 43 TRP HB2 1.0 . 4.19 309 280 A 43 TRP H A 43 TRP HB3 1.0 . 4.17 310 281 A 50 LYS HA A 50 LYS HD3 1.0 . 4.35 311 282 A 44 LYS HG3 A 44 LYS HDx 1.0 . 2.58 312 283 A 44 LYS HDx A 44 LYS HA 1.0 . 4.22 313 284 A 62 ILE HG2% A 63 PRO HG3 1.0 . 5.47 314 285 A 64 LYS HG2 A 63 PRO HG3 1.0 . 5.50 315 286 A 60 GLN H A 60 GLN HB3 1.0 . 3.70 316 287 A 60 GLN H A 59 PRO HG3 1.0 . 4.50 317 288 A 21 ASN HA A 24 ILE HG12 1.0 . 4.34 318 289 A 24 ILE HG2% A 24 ILE HG13 1.0 . 4.02 319 290 A 24 ILE HG2% A 24 ILE HG12 1.0 . 4.04 320 291 A 24 ILE HA A 24 ILE HG12 1.0 . 3.72 321 292 A 9 LEU H A 9 LEU HG 1.0 . 3.93 322 293 A 11 LYS HA A 11 LYS HD2 1.0 . 3.68 323 294 A 31 ARG HA A 31 ARG HG3 1.0 . 4.03 324 295 A 22 PHE HD% A 55 LEU HG 1.0 . 4.33 325 295 A 22 PHE HE% A 55 LEU HG 1.0 . 4.33 326 296 A 49 LEU HG A 49 LEU H 1.0 . 3.85 327 297 A 31 ARG HG3 A 35 LEU HD1% 1.0 . 4.27 328 297 A 35 LEU HD2% A 31 ARG HG3 1.0 . 4.27 329 298 A 41 VAL HB A 36 LYS HG3 1.0 . 4.11 330 299 A 37 LEU HB3 A 37 LEU HG 1.0 . 2.49 331 300 A 37 LEU HG A 8 LEU HD2% 1.0 . 4.04 332 300 A 8 LEU HD1% A 37 LEU HG 1.0 . 4.04 333 301 A 40 LYS HG3 A 35 LEU HD1% 1.0 . 5.22 334 301 A 35 LEU HD2% A 40 LYS HG3 1.0 . 5.22 335 302 A 31 ARG HD3 A 35 LEU HD1% 1.0 . 5.50 336 302 A 35 LEU HD2% A 31 ARG HD3 1.0 . 5.50 337 303 A 31 ARG HD2 A 35 LEU HD1% 1.0 . 5.50 338 303 A 35 LEU HD2% A 31 ARG HD2 1.0 . 5.50 339 304 A 28 LEU HA A 28 LEU HD2% 1.0 . 4.38 340 305 A 28 LEU HD2% A 26 MET HB3 1.0 . 4.37 341 306 A 32 THR HA A 35 LEU HD1% 1.0 . 3.72 342 306 A 32 THR HA A 35 LEU HD2% 1.0 . 3.72 343 307 A 33 VAL HG2% A 28 LEU HD2% 1.0 . 3.39 344 308 A 50 LYS HGx A 50 LYS H 1.0 . 4.47 345 309 A 44 LYS H A 44 LYS HG3 1.0 . 4.40 346 310 A 57 LEU HD2% A 11 LYS HG3 1.0 . 4.75 347 310 A 11 LYS HG2 A 57 LEU HD2% 1.0 . 4.75 348 311 A 65 TYR HE% A 11 LYS HG3 1.0 . 4.71 349 311 A 11 LYS HG2 A 65 TYR HE% 1.0 . 4.71 350 312 A 64 LYS HG2 A 64 LYS H 1.0 . 3.59 351 313 A 64 LYS HG2 A 63 PRO HD2 1.0 . 3.97 352 314 A 15 LYS HE2 A 15 LYS HG3 1.0 . 3.95 353 315 A 15 LYS HA A 15 LYS HG2 1.0 . 4.15 354 316 A 15 LYS HG2 A 15 LYS HD3 1.0 . 3.01 355 316 A 15 LYS HD2 A 15 LYS HG2 1.0 . 3.01 356 317 A 55 LEU HD1% A 11 LYS HG3 1.0 . 4.20 357 317 A 55 LEU HD1% A 11 LYS HG2 1.0 . 4.20 358 318 A 12 ILE HD1% A 9 LEU HD2% 1.0 . 3.97 359 319 A 9 LEU HD2% A 8 LEU HD2% 1.0 . 4.76 360 319 A 8 LEU HD1% A 9 LEU HD2% 1.0 . 4.76 361 320 A 15 LYS HE2 A 15 LYS HG2 1.0 . 4.09 362 321 A 9 LEU HD2% A 19 GLN HE22 1.0 . 4.88 363 322 A 9 LEU HA A 9 LEU HD2% 1.0 . 3.23 364 323 A 15 LYS HA A 15 LYS HG3 1.0 . 4.07 365 324 A 9 LEU HD2% A 9 LEU H 1.0 . 4.56 366 325 A 52 VAL HG2% A 57 LEU HD1% 1.0 . 4.07 367 326 A 57 LEU HD1% A 57 LEU HA 1.0 . 4.65 368 327 A 52 VAL HG2% A 52 VAL H 1.0 . 3.27 369 328 A 32 THR H A 32 THR HG2% 1.0 . 4.25 370 329 A 32 THR HA A 32 THR HG2% 1.0 . 3.37 371 330 A 36 LYS HE3 A 32 THR HG2% 1.0 . 3.65 372 331 A 36 LYS HE2 A 32 THR HG2% 1.0 . 3.44 373 332 A 55 LEU HD1% A 12 ILE H 1.0 . 4.83 374 333 A 33 VAL HA A 32 THR HG2% 1.0 . 4.41 375 334 A 37 LEU HD1% A 37 LEU H 1.0 . 4.27 376 335 A 43 TRP HZ2 A 37 LEU HD1% 1.0 . 3.62 377 336 A 37 LEU HD1% A 8 LEU HD2% 1.0 . 3.43 378 336 A 8 LEU HD1% A 37 LEU HD1% 1.0 . 3.43 379 337 A 55 LEU HD1% A 55 LEU H 1.0 . 4.09 380 338 A 15 LYS HB2 A 55 LEU HD1% 1.0 . 3.24 381 339 A 55 LEU HD1% A 12 ILE HG13 1.0 . 4.10 382 340 A 37 LEU HD1% A 5 TYR HB2 1.0 . 4.62 383 341 A 50 LYS HE3 A 49 LEU HD2% 1.0 . 4.32 384 341 A 49 LEU HD1% A 50 LYS HE3 1.0 . 4.32 385 342 A 55 LEU HD1% A 12 ILE HD1% 1.0 . 5.03 386 343 A 5 TYR HD% A 8 LEU HD2% 1.0 . 4.74 387 343 A 8 LEU HD1% A 5 TYR HD% 1.0 . 4.74 388 344 A 66 PHE HZ A 8 LEU HD2% 1.0 . 4.38 389 344 A 8 LEU HD1% A 66 PHE HZ 1.0 . 4.38 390 345 A 8 LEU HA A 8 LEU HD2% 1.0 . 3.48 391 345 A 8 LEU HD1% A 8 LEU HA 1.0 . 3.48 392 346 A 9 LEU HA A 8 LEU HD2% 1.0 . 3.88 393 346 A 8 LEU HD1% A 9 LEU HA 1.0 . 3.88 394 347 A 37 LEU HB3 A 37 LEU HD1% 1.0 . 2.80 395 348 A 66 PHE HE% A 8 LEU HD2% 1.0 . 4.81 396 348 A 8 LEU HD1% A 66 PHE HE% 1.0 . 4.81 397 349 A 43 TRP H A 42 THR HG2% 1.0 . 4.10 398 350 A 42 THR H A 42 THR HG2% 1.0 . 3.69 399 351 A 41 VAL HG1% A 40 LYS HB2 1.0 . 3.57 400 352 A 30 GLU HA A 33 VAL HG2% 1.0 . 4.73 401 353 A 18 THR HG2% A 20 TYR H 1.0 . 4.42 402 354 A 18 THR HG2% A 21 ASN HB2 1.0 . 4.45 403 355 A 33 VAL HG2% A 33 VAL H 1.0 . 4.24 404 356 A 34 SER HA A 33 VAL HG2% 1.0 . 4.40 405 357 A 33 VAL HA A 33 VAL HG2% 1.0 . 3.40 406 358 A 37 LEU HB3 A 33 VAL HG2% 1.0 . 4.14 407 359 A 18 THR HG2% A 18 THR HG1 1.0 . 3.79 408 360 A 18 THR HA A 18 THR HG2% 1.0 . 3.45 409 361 A 17 GLY HA3 A 18 THR HG2% 1.0 . 4.68 410 362 A 18 THR HG2% A 17 GLY H 1.0 . 4.62 411 363 A 13 THR HA A 13 THR HG2% 1.0 . 3.33 412 364 A 54 VAL HA A 54 VAL HG1% 1.0 . 3.40 413 365 A 54 VAL HG1% A 55 LEU HG 1.0 . 4.54 414 366 A 42 THR H A 41 VAL HG2% 1.0 . 3.79 415 367 A 41 VAL HA A 41 VAL HG2% 1.0 . 3.48 416 368 A 71 VAL H A 71 VAL HG1% 1.0 . 4.22 417 369 A 69 ALA H A 69 ALA HB% 1.0 . 3.54 418 370 A 22 PHE HA A 25 ALA HB% 1.0 . 3.71 419 371 A 22 PHE HD% A 25 ALA HB% 1.0 . 5.19 420 372 A 51 ALA HB% A 66 PHE HE% 1.0 . 4.30 421 373 A 51 ALA HB% A 22 PHE HD% 1.0 . 3.66 422 373 A 51 ALA HB% A 22 PHE HE% 1.0 . 3.66 423 374 A 51 ALA HB% A 55 LEU HD2% 1.0 . 4.68 424 375 A 52 VAL HG2% A 51 ALA HB% 1.0 . 5.50 425 376 A 54 VAL HG2% A 51 ALA HB% 1.0 . 5.50 426 377 A 62 ILE HG2% A 63 PRO HA 1.0 . 4.61 427 378 A 62 ILE HG2% A 48 ILE HG2% 1.0 . 3.89 428 379 A 24 ILE HG2% A 25 ALA H 1.0 . 3.78 429 380 A 24 ILE HG2% A 25 ALA HA 1.0 . 4.55 430 381 A 12 ILE HG2% A 12 ILE H 1.0 . 3.84 431 382 A 12 ILE HG2% A 18 THR H 1.0 . 5.30 432 383 A 12 ILE HG2% A 22 PHE HD% 1.0 . 4.64 433 384 A 12 ILE HG2% A 18 THR HA 1.0 . 5.21 434 385 A 12 ILE HG2% A 13 THR HG1 1.0 . 5.50 435 386 A 12 ILE HG2% A 16 CYS HA 1.0 . 5.50 436 387 A 12 ILE HG2% A 19 GLN HA 1.0 . 3.41 437 388 A 12 ILE HG2% A 12 ILE HA 1.0 . 2.96 438 389 A 12 ILE HG2% A 19 GLN HB2 1.0 . 5.50 439 390 A 12 ILE HG2% A 12 ILE HG12 1.0 . 3.76 440 391 A 12 ILE HG2% A 12 ILE HG13 1.0 . 3.55 441 392 A 26 MET HE% A 50 LYS H 1.0 . 4.22 442 393 A 33 VAL HG1% A 23 ALA HB% 1.0 . 3.47 443 394 A 23 ALA HB% A 24 ILE HD1% 1.0 . 5.32 444 395 A 23 ALA HB% A 28 LEU HD2% 1.0 . 5.50 445 396 A 51 ALA H A 26 MET HE% 1.0 . 3.51 446 397 A 22 PHE HD% A 26 MET HE% 1.0 . 3.84 447 397 A 26 MET HE% A 22 PHE HE% 1.0 . 3.84 448 398 A 51 ALA HB% A 26 MET HE% 1.0 . 3.68 449 399 A 50 LYS HGx A 26 MET HE% 1.0 . 4.54 450 400 A 26 MET HE% A 26 MET HG3 1.0 . 3.46 451 401 A 26 MET HE% A 28 LEU HD2% 1.0 . 3.49 452 402 A 50 LYS HB2 A 26 MET HE% 1.0 . 3.50 453 403 A 23 ALA HB% A 24 ILE H 1.0 . 3.34 454 404 A 23 ALA HB% A 30 GLU HA 1.0 . 3.29 455 405 A 23 ALA HB% A 33 VAL HB 1.0 . 4.01 456 406 A 48 ILE HG2% A 49 LEU H 1.0 . 4.88 457 407 A 62 ILE HD1% A 48 ILE HG2% 1.0 . 3.53 458 408 A 12 ILE HA A 12 ILE HD1% 1.0 . 3.95 459 409 A 12 ILE HD1% A 12 ILE HB 1.0 . 3.49 460 410 A 12 ILE HG2% A 12 ILE HD1% 1.0 . 2.71 461 411 A 62 ILE HD1% A 62 ILE H 1.0 . 4.24 462 412 A 62 ILE HD1% A 57 LEU HD1% 1.0 . 4.66 463 413 A 66 PHE HD% A 48 ILE HD1% 1.0 . 4.93 464 414 A 48 ILE HD1% A 48 ILE H 1.0 . 4.48 465 415 A 48 ILE HD1% A 43 TRP HB3 1.0 . 3.68 466 416 A 48 ILE HD1% A 48 ILE HB 1.0 . 3.58 467 417 A 48 ILE HD1% A 48 ILE HG2% 1.0 . 3.55 468 418 A 24 ILE HD1% A 24 ILE H 1.0 . 4.20 469 419 A 24 ILE HA A 24 ILE HD1% 1.0 . 3.36 470 420 A 24 ILE HB A 24 ILE HD1% 1.0 . 3.70 471 421 A 69 ALA H A 68 ASN HA 1.0 . 3.27 472 422 A 72 HIS H A 72 HIS HB2 1.0 . 4.01 473 423 A 72 HIS H A 70 LYS HG2 1.0 . 5.50 474 423 A 72 HIS H A 70 LYS HG3 1.0 . 5.50 475 424 A 72 HIS H A 71 VAL HG2% 1.0 . 4.39 476 424 A 72 HIS H A 71 VAL HG1% 1.0 . 4.39 477 425 A 72 HIS H A 70 LYS HA 1.0 . 4.71 478 426 A 9 LEU H A 8 LEU H 1.0 . 3.55 479 427 A 8 LEU H A 10 GLY H 1.0 . 4.75 480 428 A 8 LEU HB2 A 8 LEU H 1.0 . 3.23 481 429 A 8 LEU HB3 A 8 LEU H 1.0 . 3.30 482 430 A 8 LEU H A 8 LEU HD2% 1.0 . 4.29 483 430 A 8 LEU HD1% A 8 LEU H 1.0 . 4.29 484 431 A 8 LEU H A 5 TYR HA 1.0 . 4.43 485 432 A 8 LEU H A 8 LEU HG 1.0 . 4.67 486 433 A 5 TYR HD% A 8 LEU H 1.0 . 5.07 487 434 A 65 TYR HE% A 8 LEU H 1.0 . 5.26 488 435 A 5 TYR H A 4 ASP HA 1.0 . 3.36 489 436 A 5 TYR H A 5 TYR HD% 1.0 . 4.87 490 437 A 42 THR HB A 43 TRP H 1.0 . 3.29 491 438 A 43 TRP H A 43 TRP HB2 1.0 . 3.69 492 439 A 23 ALA HB% A 30 GLU H 1.0 . 4.75 493 440 A 22 PHE HA A 25 ALA H 1.0 . 4.05 494 441 A 23 ALA HA A 25 ALA H 1.0 . 5.15 495 442 A 24 ILE HB A 25 ALA H 1.0 . 3.14 496 443 A 25 ALA HB% A 25 ALA H 1.0 . 2.97 497 444 A 24 ILE HG13 A 25 ALA H 1.0 . 4.57 498 445 A 29 SER HA A 30 GLU H 1.0 . 3.11 499 446 A 30 GLU H A 29 SER HB3 1.0 . 3.65 500 447 A 30 GLU H A 30 GLU HB3 1.0 . 3.44 501 448 A 24 ILE HG12 A 25 ALA H 1.0 . 4.52 502 449 A 21 ASN HA A 25 ALA H 1.0 . 4.73 503 450 A 2 SER HA A 3 TYR H 1.0 . 3.45 504 451 A 3 TYR H A 3 TYR HB2 1.0 . 3.90 505 451 A 3 TYR H A 3 TYR HB3 1.0 . 3.90 506 452 A 3 TYR HD% A 3 TYR H 1.0 . 4.56 507 453 A 65 TYR HE% A 11 LYS H 1.0 . 4.97 508 454 A 11 LYS H A 11 LYS HB2 1.0 . 3.17 509 455 A 11 LYS H A 11 LYS HB3 1.0 . 3.29 510 456 A 11 LYS H A 11 LYS HG3 1.0 . 3.66 511 456 A 11 LYS HG2 A 11 LYS H 1.0 . 3.66 512 457 A 12 ILE HD1% A 11 LYS H 1.0 . 5.20 513 458 A 11 LYS H A 8 LEU HD2% 1.0 . 5.50 514 458 A 8 LEU HD1% A 11 LYS H 1.0 . 5.50 515 459 A 44 LYS HA A 45 ASP H 1.0 . 3.36 516 460 A 45 ASP HBx A 45 ASP H 1.0 . 3.67 517 461 A 48 ILE H A 44 LYS H 1.0 . 5.17 518 462 A 44 LYS H A 43 TRP HD1 1.0 . 4.89 519 463 A 44 LYS H A 47 GLU HB2 1.0 . 3.84 520 464 A 44 LYS H A 44 LYS HB3 1.0 . 3.51 521 465 A 47 GLU H A 44 LYS H 1.0 . 4.94 522 466 A 22 PHE HD% A 23 ALA H 1.0 . 4.02 523 467 A 23 ALA H A 21 ASN H 1.0 . 4.58 524 468 A 23 ALA H A 24 ILE H 1.0 . 3.18 525 469 A 20 TYR HA A 23 ALA H 1.0 . 4.17 526 470 A 22 PHE HB2 A 23 ALA H 1.0 . 3.27 527 471 A 23 ALA H A 19 GLN HB3 1.0 . 5.50 528 472 A 23 ALA H A 33 VAL HB 1.0 . 5.50 529 473 A 23 ALA HB% A 23 ALA H 1.0 . 3.02 530 474 A 33 VAL HG1% A 23 ALA H 1.0 . 4.65 531 475 A 21 ASN HA A 23 ALA H 1.0 . 4.80 532 476 A 12 ILE HG2% A 23 ALA H 1.0 . 5.31 533 477 A 22 PHE HD% A 23 ALA H 1.0 . 5.50 534 477 A 22 PHE HE% A 23 ALA H 1.0 . 5.50 535 478 A 23 ALA H A 20 TYR HD% 1.0 . 5.50 536 479 A 51 ALA H A 53 HIS H 1.0 . 5.25 537 480 A 51 ALA H A 49 LEU H 1.0 . 5.50 538 481 A 51 ALA H A 52 VAL H 1.0 . 3.44 539 482 A 51 ALA H A 50 LYS H 1.0 . 3.25 540 483 A 51 ALA H A 22 PHE HD% 1.0 . 4.74 541 483 A 51 ALA H A 22 PHE HE% 1.0 . 4.74 542 484 A 51 ALA H A 51 ALA HB% 1.0 . 3.10 543 485 A 52 VAL HG2% A 51 ALA H 1.0 . 5.40 544 486 A 71 VAL H A 72 HIS HA 1.0 . 5.10 545 487 A 70 LYS HA A 71 VAL H 1.0 . 2.86 546 488 A 71 VAL H A 71 VAL HB 1.0 . 3.68 547 489 A 71 VAL H A 70 LYS HG2 1.0 . 4.49 548 489 A 70 LYS HG3 A 71 VAL H 1.0 . 4.49 549 490 A 71 VAL H A 71 VAL HG2% 1.0 . 3.78 550 490 A 71 VAL H A 71 VAL HG1% 1.0 . 3.78 551 491 A 14 GLU H A 16 CYS H 1.0 . 5.50 552 492 A 14 GLU H A 13 THR HG1 1.0 . 5.08 553 493 A 14 GLU H A 13 THR HB 1.0 . 2.98 554 494 A 14 GLU HG3 A 14 GLU H 1.0 . 4.40 555 495 A 14 GLU HBx A 14 GLU H 1.0 . 2.74 556 496 A 14 GLU H A 15 LYS HD2 1.0 . 4.96 557 497 A 13 THR HG2% A 14 GLU H 1.0 . 4.11 558 498 A 22 PHE H A 23 ALA H 1.0 . 3.25 559 499 A 19 GLN HA A 22 PHE H 1.0 . 3.73 560 500 A 22 PHE H A 19 GLN HB3 1.0 . 5.50 561 501 A 22 PHE H A 16 CYS HG 1.0 . 5.50 562 502 A 12 ILE HG2% A 22 PHE H 1.0 . 4.37 563 503 A 22 PHE H A 20 TYR H 1.0 . 4.61 564 504 A 22 PHE HD% A 22 PHE H 1.0 . 4.17 565 505 A 22 PHE HB2 A 22 PHE H 1.0 . 3.15 566 506 A 22 PHE H A 21 ASN HB2 1.0 . 3.22 567 507 A 22 PHE H A 16 CYS HB3 1.0 . 4.16 568 508 A 22 PHE H A 25 ALA HB% 1.0 . 5.50 569 509 A 23 ALA HB% A 22 PHE H 1.0 . 4.88 570 510 A 52 VAL HG1% A 54 VAL H 1.0 . 5.50 571 511 A 3 TYR HD% A 70 LYS H 1.0 . 5.30 572 512 A 68 ASN HA A 70 LYS H 1.0 . 3.75 573 513 A 69 ALA HA A 70 LYS H 1.0 . 2.79 574 514 A 70 LYS H A 70 LYS HB2 1.0 . 3.58 575 515 A 70 LYS H A 70 LYS HB3 1.0 . 3.35 576 516 A 69 ALA HB% A 70 LYS H 1.0 . 3.75 577 517 A 47 GLU H A 45 ASP H 1.0 . 5.37 578 518 A 22 PHE HD% A 54 VAL H 1.0 . 4.92 579 518 A 22 PHE HE% A 54 VAL H 1.0 . 4.92 580 519 A 54 VAL H A 55 LEU HB3 1.0 . 5.26 581 520 A 51 ALA HB% A 54 VAL H 1.0 . 5.50 582 521 A 47 GLU H A 47 GLU HB2 1.0 . 3.60 583 522 A 47 GLU H A 47 GLU HG2 1.0 . 3.65 584 523 A 51 ALA HA A 54 VAL H 1.0 . 3.94 585 524 A 53 HIS HB3 A 54 VAL H 1.0 . 3.68 586 525 A 53 HIS HB2 A 54 VAL H 1.0 . 3.70 587 526 A 54 VAL HB A 54 VAL H 1.0 . 3.04 588 527 A 54 VAL HG2% A 54 VAL H 1.0 . 3.29 589 528 A 47 GLU H A 46 ASP H 1.0 . 3.45 590 529 A 47 GLU H A 44 LYS HB2 1.0 . 4.19 591 530 A 47 GLU H A 44 LYS HB3 1.0 . 3.87 592 531 A 67 PHE H A 68 ASN H 1.0 . 3.77 593 532 A 68 ASN H A 68 ASN HD22 1.0 . 4.81 594 533 A 67 PHE HD% A 68 ASN H 1.0 . 4.66 595 534 A 3 TYR HD% A 68 ASN H 1.0 . 5.18 596 535 A 68 ASN H A 68 ASN HD21 1.0 . 5.42 597 536 A 68 ASN H A 3 TYR HE% 1.0 . 5.50 598 537 A 68 ASN H A 68 ASN HB2 1.0 . 3.45 599 538 A 68 ASN H A 68 ASN HB3 1.0 . 3.40 600 539 A 69 ALA HA A 68 ASN H 1.0 . 5.50 601 540 A 66 PHE HA A 68 ASN H 1.0 . 5.50 602 541 A 12 ILE H A 13 THR H 1.0 . 3.48 603 542 A 14 GLU H A 12 ILE H 1.0 . 4.57 604 543 A 12 ILE H A 10 GLY H 1.0 . 5.29 605 544 A 12 ILE H A 11 LYS H 1.0 . 3.29 606 545 A 9 LEU HA A 12 ILE H 1.0 . 3.58 607 546 A 12 ILE HB A 12 ILE H 1.0 . 3.03 608 547 A 12 ILE HG12 A 12 ILE H 1.0 . 3.41 609 548 A 12 ILE H A 11 LYS HG3 1.0 . 4.01 610 548 A 11 LYS HG2 A 12 ILE H 1.0 . 4.01 611 549 A 12 ILE HD1% A 12 ILE H 1.0 . 3.90 612 550 A 12 ILE HG13 A 12 ILE H 1.0 . 3.74 613 551 A 33 VAL HA A 35 LEU H 1.0 . 5.13 614 552 A 35 LEU H A 32 THR HG2% 1.0 . 5.50 615 553 A 35 LEU H A 33 VAL HG2% 1.0 . 5.50 616 554 A 35 LEU H A 36 LYS H 1.0 . 3.37 617 555 A 35 LEU H A 35 LEU HG 1.0 . 3.05 618 556 A 35 LEU H A 35 LEU HB3 1.0 . 3.61 619 557 A 35 LEU H A 35 LEU HD1% 1.0 . 3.67 620 557 A 35 LEU H A 35 LEU HD2% 1.0 . 3.67 621 558 A 58 ASN H A 61 ASP H 1.0 . 4.71 622 559 A 58 ASN H A 58 ASN HD21 1.0 . 4.85 623 560 A 48 ILE H A 46 ASP H 1.0 . 5.04 624 561 A 48 ILE HG13 A 48 ILE H 1.0 . 4.11 625 562 A 58 ASN H A 61 ASP HB3 1.0 . 3.86 626 563 A 58 ASN H A 58 ASN HB2 1.0 . 3.31 627 564 A 58 ASN HB3 A 58 ASN H 1.0 . 3.19 628 565 A 58 ASN H A 57 LEU HB2 1.0 . 3.23 629 566 A 58 ASN H A 57 LEU HD2% 1.0 . 4.21 630 567 A 48 ILE H A 49 LEU H 1.0 . 3.83 631 568 A 48 ILE H A 47 GLU H 1.0 . 3.44 632 569 A 48 ILE H A 48 ILE HB 1.0 . 3.34 633 570 A 48 ILE HG12 A 48 ILE H 1.0 . 3.67 634 571 A 48 ILE HG2% A 48 ILE H 1.0 . 4.86 635 572 A 18 THR HG1 A 19 GLN H 1.0 . 5.16 636 573 A 20 TYR H A 20 TYR HB3 1.0 . 3.11 637 574 A 20 TYR HB2 A 20 TYR H 1.0 . 3.09 638 575 A 20 TYR H A 19 GLN HB2 1.0 . 3.65 639 576 A 18 THR HA A 19 GLN H 1.0 . 2.98 640 577 A 19 GLN HG2 A 19 GLN H 1.0 . 4.09 641 578 A 19 GLN HB3 A 19 GLN H 1.0 . 4.17 642 579 A 19 GLN HB2 A 19 GLN H 1.0 . 3.78 643 580 A 19 GLN HG3 A 19 GLN H 1.0 . 4.64 644 581 A 52 VAL HG1% A 58 ASN H 1.0 . 5.07 645 582 A 20 TYR H A 19 GLN H 1.0 . 3.69 646 583 A 18 THR HG1 A 20 TYR H 1.0 . 3.75 647 584 A 18 THR HG2% A 19 GLN H 1.0 . 4.69 648 585 A 20 TYR H A 18 THR HB 1.0 . 3.07 649 586 A 36 LYS HE3 A 36 LYS H 1.0 . 5.37 650 587 A 37 LEU H A 36 LYS H 1.0 . 3.71 651 588 A 33 VAL HA A 36 LYS H 1.0 . 4.08 652 589 A 36 LYS H A 36 LYS HB3 1.0 . 3.38 653 590 A 36 LYS HG2 A 36 LYS H 1.0 . 4.60 654 591 A 36 LYS HG3 A 36 LYS H 1.0 . 3.27 655 592 A 36 LYS HDx A 36 LYS H 1.0 . 4.42 656 593 A 36 LYS H A 36 LYS HB2 1.0 . 3.70 657 594 A 62 ILE H A 60 GLN HA 1.0 . 4.66 658 595 A 62 ILE HG13 A 62 ILE H 1.0 . 3.93 659 596 A 62 ILE HG2% A 62 ILE H 1.0 . 4.41 660 597 A 32 THR HA A 36 LYS H 1.0 . 4.87 661 598 A 36 LYS HE2 A 36 LYS H 1.0 . 5.50 662 599 A 35 LEU HB2 A 36 LYS H 1.0 . 3.06 663 600 A 49 LEU HG A 50 LYS H 1.0 . 4.40 664 601 A 3 TYR HA A 4 ASP H 1.0 . 3.34 665 602 A 32 THR HB A 33 VAL H 1.0 . 3.30 666 603 A 30 GLU HA A 33 VAL H 1.0 . 4.56 667 604 A 33 VAL HB A 33 VAL H 1.0 . 2.97 668 605 A 28 LEU HB3 A 33 VAL H 1.0 . 4.41 669 606 A 23 ALA HB% A 33 VAL H 1.0 . 5.50 670 607 A 32 THR HG2% A 33 VAL H 1.0 . 4.26 671 608 A 33 VAL HG1% A 33 VAL H 1.0 . 3.39 672 609 A 28 LEU HD2% A 33 VAL H 1.0 . 5.50 673 610 A 3 TYR HD% A 4 ASP H 1.0 . 4.73 674 611 A 4 ASP H A 4 ASP HB2 1.0 . 3.44 675 612 A 4 ASP H A 3 TYR HB2 1.0 . 3.69 676 612 A 3 TYR HB3 A 4 ASP H 1.0 . 3.69 677 613 A 4 ASP H A 4 ASP HB3 1.0 . 3.60 678 614 A 34 SER HBx A 33 VAL H 1.0 . 5.31 679 615 A 31 ARG HA A 33 VAL H 1.0 . 5.32 680 616 A 7 SER H A 7 SER HB2 1.0 . 3.85 681 617 A 8 LEU HB2 A 9 LEU H 1.0 . 3.68 682 618 A 9 LEU HB2 A 9 LEU H 1.0 . 3.30 683 619 A 9 LEU HB3 A 9 LEU H 1.0 . 3.25 684 620 A 9 LEU H A 8 LEU HD2% 1.0 . 4.79 685 620 A 8 LEU HD1% A 9 LEU H 1.0 . 4.79 686 621 A 6 SER HA A 9 LEU H 1.0 . 4.42 687 622 A 24 ILE HA A 28 LEU H 1.0 . 4.69 688 623 A 26 MET HB2 A 28 LEU H 1.0 . 4.34 689 624 A 28 LEU H A 28 LEU HG 1.0 . 4.43 690 625 A 28 LEU H A 28 LEU HB2 1.0 . 3.35 691 626 A 28 LEU H A 28 LEU HD1% 1.0 . 4.51 692 627 A 28 LEU H A 28 LEU HD2% 1.0 . 4.51 693 628 A 30 GLU H A 31 ARG H 1.0 . 3.95 694 629 A 29 SER HA A 31 ARG H 1.0 . 4.64 695 630 A 29 SER HB3 A 31 ARG H 1.0 . 3.93 696 631 A 31 ARG H A 31 ARG HB3 1.0 . 3.31 697 632 A 31 ARG H A 31 ARG HB2 1.0 . 3.44 698 633 A 35 LEU H A 37 LEU H 1.0 . 5.11 699 634 A 37 LEU H A 39 ASP H 1.0 . 5.21 700 635 A 38 ASN H A 37 LEU H 1.0 . 3.62 701 636 A 33 VAL HA A 37 LEU H 1.0 . 5.10 702 637 A 37 LEU HB3 A 37 LEU H 1.0 . 3.02 703 638 A 37 LEU HB2 A 37 LEU H 1.0 . 3.78 704 639 A 37 LEU HG A 37 LEU H 1.0 . 4.32 705 640 A 41 VAL H A 36 LYS HG3 1.0 . 4.94 706 641 A 41 VAL H A 40 LYS H 1.0 . 2.96 707 642 A 41 VAL H A 39 ASP H 1.0 . 4.47 708 643 A 41 VAL H A 39 ASP HA 1.0 . 5.07 709 644 A 41 VAL H A 41 VAL HB 1.0 . 3.55 710 645 A 41 VAL H A 35 LEU HB3 1.0 . 4.85 711 646 A 41 VAL HG1% A 41 VAL H 1.0 . 3.84 712 647 A 20 TYR H A 21 ASN H 1.0 . 3.39 713 648 A 22 PHE H A 21 ASN H 1.0 . 3.35 714 649 A 21 ASN H A 21 ASN HD21 1.0 . 4.86 715 650 A 18 THR HG1 A 21 ASN H 1.0 . 3.33 716 651 A 21 ASN H A 18 THR HB 1.0 . 4.21 717 652 A 21 ASN HB2 A 21 ASN H 1.0 . 3.01 718 653 A 20 TYR HB2 A 21 ASN H 1.0 . 3.23 719 654 A 18 THR HG2% A 21 ASN H 1.0 . 4.40 720 655 A 21 ASN HB3 A 21 ASN H 1.0 . 3.52 721 656 A 42 THR H A 42 THR HG1 1.0 . 3.70 722 657 A 48 ILE HA A 52 VAL H 1.0 . 5.00 723 658 A 50 LYS HA A 52 VAL H 1.0 . 4.99 724 659 A 57 LEU HD1% A 52 VAL H 1.0 . 5.44 725 660 A 52 VAL H A 52 VAL HB 1.0 . 3.05 726 661 A 51 ALA HB% A 52 VAL H 1.0 . 3.76 727 662 A 52 VAL HG1% A 52 VAL H 1.0 . 4.12 728 663 A 52 VAL H A 50 LYS H 1.0 . 4.91 729 664 A 1 MET HA A 2 SER H 1.0 . 3.38 730 665 A 2 SER H A 2 SER HB2 1.0 . 3.84 731 665 A 2 SER H A 2 SER HB3 1.0 . 3.84 732 666 A 2 SER H A 1 MET HG3 1.0 . 5.50 733 667 A 2 SER H A 1 MET HG2 1.0 . 5.50 734 668 A 5 TYR H A 6 SER H 1.0 . 3.52 735 669 A 4 ASP HB2 A 6 SER H 1.0 . 4.96 736 670 A 32 THR H A 30 GLU H 1.0 . 5.02 737 671 A 62 ILE HD1% A 61 ASP H 1.0 . 5.39 738 672 A 32 THR H A 31 ARG H 1.0 . 3.49 739 673 A 29 SER HB2 A 32 THR H 1.0 . 4.97 740 674 A 33 VAL HB A 32 THR H 1.0 . 5.41 741 675 A 31 ARG HG3 A 32 THR H 1.0 . 5.40 742 676 A 33 VAL HG1% A 32 THR H 1.0 . 5.46 743 677 A 32 THR H A 34 SER H 1.0 . 4.24 744 678 A 32 THR H A 29 SER HB3 1.0 . 4.37 745 679 A 32 THR HB A 32 THR H 1.0 . 2.94 746 680 A 32 THR H A 31 ARG HB2 1.0 . 3.47 747 681 A 60 GLN H A 61 ASP H 1.0 . 3.41 748 682 A 62 ILE H A 61 ASP H 1.0 . 3.27 749 683 A 59 PRO HA A 61 ASP H 1.0 . 4.74 750 684 A 63 PRO HD2 A 61 ASP H 1.0 . 5.20 751 685 A 61 ASP H A 61 ASP HB3 1.0 . 3.00 752 686 A 58 ASN HB3 A 61 ASP H 1.0 . 5.08 753 687 A 60 GLN HG2 A 61 ASP H 1.0 . 5.03 754 688 A 53 HIS H A 54 VAL H 1.0 . 3.36 755 689 A 52 VAL H A 53 HIS H 1.0 . 3.48 756 690 A 50 LYS HA A 53 HIS H 1.0 . 4.14 757 691 A 53 HIS H A 53 HIS HB2 1.0 . 3.15 758 692 A 52 VAL HB A 53 HIS H 1.0 . 3.49 759 693 A 52 VAL HG2% A 53 HIS H 1.0 . 4.29 760 694 A 58 ASN HB2 A 61 ASP H 1.0 . 5.28 761 695 A 54 VAL HB A 53 HIS H 1.0 . 4.74 762 696 A 52 VAL HG1% A 53 HIS H 1.0 . 4.42 763 697 A 57 LEU H A 56 GLU HG2 1.0 . 5.50 764 698 A 57 LEU HG A 57 LEU H 1.0 . 3.34 765 699 A 52 VAL HG1% A 57 LEU H 1.0 . 4.23 766 700 A 57 LEU H A 56 GLU H 1.0 . 3.37 767 701 A 52 VAL HA A 57 LEU H 1.0 . 3.70 768 702 A 57 LEU H A 57 LEU HD2% 1.0 . 4.50 769 703 A 57 LEU HD1% A 57 LEU H 1.0 . 4.55 770 704 A 52 VAL HG2% A 57 LEU H 1.0 . 5.38 771 705 A 49 LEU H A 50 LYS H 1.0 . 3.27 772 706 A 49 LEU H A 49 LEU HB3 1.0 . 3.20 773 707 A 49 LEU H A 49 LEU HD2% 1.0 . 4.81 774 708 A 49 LEU HD1% A 49 LEU H 1.0 . 5.50 775 709 A 15 LYS H A 13 THR H 1.0 . 5.04 776 710 A 9 LEU HA A 13 THR H 1.0 . 4.60 777 711 A 14 GLU HBx A 13 THR H 1.0 . 4.98 778 712 A 12 ILE HB A 13 THR H 1.0 . 3.38 779 713 A 13 THR HG2% A 13 THR H 1.0 . 3.96 780 714 A 12 ILE HG2% A 13 THR H 1.0 . 4.30 781 715 A 22 PHE HA A 24 ILE H 1.0 . 5.23 782 716 A 21 ASN HA A 24 ILE H 1.0 . 3.84 783 717 A 24 ILE HB A 24 ILE H 1.0 . 2.90 784 718 A 25 ALA HB% A 24 ILE H 1.0 . 4.82 785 719 A 24 ILE HG13 A 24 ILE H 1.0 . 3.24 786 720 A 24 ILE HG2% A 24 ILE H 1.0 . 3.98 787 721 A 14 GLU H A 13 THR H 1.0 . 3.46 788 722 A 13 THR HG1 A 13 THR H 1.0 . 4.38 789 723 A 13 THR HB A 13 THR H 1.0 . 3.15 790 724 A 12 ILE HD1% A 13 THR H 1.0 . 5.44 791 725 A 24 ILE HG12 A 24 ILE H 1.0 . 3.38 792 726 A 62 ILE H A 60 GLN H 1.0 . 5.36 793 727 A 60 GLN H A 60 GLN HE21 1.0 . 5.50 794 728 A 60 GLN HG2 A 60 GLN H 1.0 . 4.18 795 729 A 59 PRO HD3 A 60 GLN H 1.0 . 4.36 796 730 A 60 GLN H A 58 ASN HB2 1.0 . 4.45 797 731 A 58 ASN HB3 A 60 GLN H 1.0 . 5.26 798 732 A 60 GLN H A 60 GLN HB2 1.0 . 3.52 799 733 A 60 GLN H A 59 PRO HG2 1.0 . 4.07 800 734 A 38 ASN H A 39 ASP H 1.0 . 3.33 801 735 A 39 ASP H A 38 ASN HD21 1.0 . 4.54 802 736 A 36 LYS HA A 39 ASP H 1.0 . 4.50 803 737 A 40 LYS HG3 A 39 ASP H 1.0 . 5.34 804 738 A 40 LYS H A 39 ASP H 1.0 . 3.46 805 739 A 39 ASP H A 39 ASP HA 1.0 . 2.94 806 740 A 35 LEU HA A 39 ASP H 1.0 . 4.77 807 741 A 37 LEU HA A 39 ASP H 1.0 . 5.50 808 742 A 39 ASP H A 39 ASP HB2 1.0 . 4.14 809 743 A 39 ASP H A 39 ASP HB3 1.0 . 3.75 810 744 A 46 ASP H A 44 LYS HA 1.0 . 5.22 811 745 A 46 ASP HB3 A 46 ASP H 1.0 . 3.76 812 746 A 46 ASP H A 44 LYS HB2 1.0 . 4.37 813 747 A 53 HIS HA A 56 GLU H 1.0 . 4.22 814 748 A 56 GLU HA A 56 GLU H 1.0 . 2.70 815 749 A 54 VAL HA A 56 GLU H 1.0 . 5.13 816 750 A 56 GLU H A 56 GLU HB2 1.0 . 3.92 817 750 A 56 GLU HB3 A 56 GLU H 1.0 . 3.92 818 751 A 56 GLU HG2 A 56 GLU H 1.0 . 4.29 819 752 A 54 VAL HG1% A 56 GLU H 1.0 . 5.50 820 753 A 56 GLU H A 54 VAL H 1.0 . 4.43 821 754 A 56 GLU H A 55 LEU H 1.0 . 3.07 822 755 A 38 ASN H A 38 ASN HD21 1.0 . 4.79 823 756 A 37 LEU HD1% A 38 ASN H 1.0 . 5.50 824 757 A 37 LEU HG A 38 ASN H 1.0 . 5.50 825 758 A 35 LEU HA A 38 ASN H 1.0 . 5.04 826 759 A 61 ASP HA A 64 LYS H 1.0 . 5.00 827 760 A 63 PRO HD2 A 64 LYS H 1.0 . 4.44 828 761 A 64 LYS HG3 A 64 LYS H 1.0 . 5.13 829 762 A 38 ASN H A 39 ASP HA 1.0 . 5.10 830 763 A 64 LYS H A 66 PHE H 1.0 . 4.87 831 764 A 35 LEU HB3 A 40 LYS H 1.0 . 4.98 832 765 A 35 LEU HA A 40 LYS H 1.0 . 4.67 833 766 A 34 SER HBx A 34 SER H 1.0 . 2.78 834 767 A 32 THR HA A 34 SER H 1.0 . 4.50 835 768 A 30 GLU HA A 34 SER H 1.0 . 5.50 836 769 A 33 VAL HB A 34 SER H 1.0 . 3.34 837 770 A 33 VAL HG2% A 34 SER H 1.0 . 4.19 838 771 A 34 SER H A 35 LEU HD1% 1.0 . 4.86 839 771 A 35 LEU HD2% A 34 SER H 1.0 . 4.86 840 772 A 38 ASN HB2 A 40 LYS H 1.0 . 5.12 841 773 A 38 ASN H A 40 LYS H 1.0 . 4.47 842 774 A 36 LYS HA A 40 LYS H 1.0 . 4.38 843 775 A 38 ASN HB3 A 40 LYS H 1.0 . 4.57 844 776 A 40 LYS H A 40 LYS HB3 1.0 . 3.35 845 777 A 40 LYS H A 40 LYS HG3 1.0 . 4.12 846 778 A 41 VAL HG1% A 40 LYS H 1.0 . 5.04 847 779 A 40 LYS H A 35 LEU HD1% 1.0 . 5.50 848 779 A 35 LEU HD2% A 40 LYS H 1.0 . 5.50 849 780 A 33 VAL H A 34 SER H 1.0 . 3.26 850 781 A 35 LEU H A 34 SER H 1.0 . 3.53 851 782 A 35 LEU HG A 34 SER H 1.0 . 5.33 852 783 A 37 LEU HB3 A 34 SER H 1.0 . 5.45 853 784 A 33 VAL HG1% A 34 SER H 1.0 . 4.54 854 785 A 40 LYS H A 40 LYS HG2 1.0 . 3.87 855 786 A 32 THR HB A 29 SER H 1.0 . 3.37 856 787 A 29 SER HB2 A 29 SER H 1.0 . 3.16 857 788 A 28 LEU HD1% A 29 SER H 1.0 . 4.12 858 789 A 28 LEU HA A 29 SER H 1.0 . 3.09 859 790 A 29 SER HB3 A 29 SER H 1.0 . 3.59 860 791 A 28 LEU HB3 A 29 SER H 1.0 . 3.27 861 792 A 28 LEU HD2% A 29 SER H 1.0 . 4.71 862 793 A 32 THR H A 29 SER H 1.0 . 4.88 863 794 A 60 GLN H A 58 ASN HD21 1.0 . 5.50 864 795 A 17 GLY HA3 A 16 CYS H 1.0 . 4.35 865 796 A 12 ILE HG2% A 16 CYS H 1.0 . 4.98 866 797 A 15 LYS H A 16 CYS H 1.0 . 3.41 867 798 A 16 CYS H A 18 THR H 1.0 . 4.63 868 799 A 13 THR HA A 16 CYS H 1.0 . 4.58 869 800 A 12 ILE HA A 16 CYS H 1.0 . 4.01 870 801 A 16 CYS H A 16 CYS HB3 1.0 . 3.41 871 802 A 16 CYS H A 16 CYS HG 1.0 . 4.47 872 803 A 15 LYS HB3 A 16 CYS H 1.0 . 3.48 873 804 A 55 LEU HD1% A 16 CYS H 1.0 . 4.92 874 805 A 15 LYS HA A 17 GLY H 1.0 . 5.28 875 806 A 12 ILE HG2% A 17 GLY H 1.0 . 5.40 876 807 A 26 MET H A 25 ALA HB% 1.0 . 3.51 877 808 A 26 MET H A 26 MET HG2 1.0 . 4.23 878 809 A 67 PHE H A 66 PHE H 1.0 . 3.73 879 810 A 62 ILE HG2% A 66 PHE H 1.0 . 5.50 880 811 A 15 LYS H A 16 CYS HA 1.0 . 5.49 881 812 A 13 THR HA A 17 GLY H 1.0 . 3.53 882 813 A 17 GLY H A 16 CYS HG 1.0 . 5.28 883 814 A 26 MET H A 27 GLY H 1.0 . 4.19 884 815 A 26 MET H A 25 ALA H 1.0 . 3.35 885 816 A 23 ALA HA A 26 MET H 1.0 . 3.95 886 817 A 26 MET HB2 A 26 MET H 1.0 . 3.16 887 818 A 14 GLU H A 15 LYS H 1.0 . 3.39 888 819 A 11 LYS HA A 15 LYS H 1.0 . 4.43 889 820 A 12 ILE HA A 15 LYS H 1.0 . 4.46 890 821 A 65 TYR HB3 A 66 PHE H 1.0 . 3.69 891 822 A 15 LYS H A 15 LYS HB3 1.0 . 3.01 892 823 A 15 LYS HD2 A 15 LYS H 1.0 . 3.26 893 824 A 55 LEU HD1% A 15 LYS H 1.0 . 4.66 894 825 A 16 CYS H A 17 GLY H 1.0 . 2.81 895 826 A 15 LYS H A 17 GLY H 1.0 . 3.74 896 827 A 14 GLU HA A 17 GLY H 1.0 . 4.85 897 828 A 15 LYS HB3 A 17 GLY H 1.0 . 4.72 898 829 A 15 LYS HB2 A 17 GLY H 1.0 . 5.50 899 830 A 13 THR HG2% A 17 GLY H 1.0 . 4.64 900 831 A 15 LYS H A 16 CYS HB3 1.0 . 5.50 901 832 A 15 LYS H A 15 LYS HE3 1.0 . 5.50 902 833 A 55 LEU H A 54 VAL H 1.0 . 3.42 903 834 A 22 PHE HD% A 55 LEU H 1.0 . 4.56 904 834 A 22 PHE HE% A 55 LEU H 1.0 . 4.56 905 835 A 51 ALA HA A 55 LEU H 1.0 . 4.32 906 836 A 54 VAL HB A 55 LEU H 1.0 . 3.31 907 837 A 55 LEU HG A 55 LEU H 1.0 . 3.18 908 838 A 55 LEU H A 55 LEU HB3 1.0 . 3.15 909 839 A 55 LEU H A 55 LEU HB2 1.0 . 3.64 910 840 A 54 VAL HG1% A 55 LEU H 1.0 . 4.17 911 841 A 55 LEU HD2% A 55 LEU H 1.0 . 4.34 912 842 A 35 LEU HA A 38 ASN HD21 1.0 . 5.16 913 843 A 56 GLU HA A 55 LEU H 1.0 . 4.69 914 844 A 57 LEU HG A 55 LEU H 1.0 . 4.68 915 845 A 65 TYR HD% A 65 TYR H 1.0 . 3.75 916 846 A 63 PRO HA A 65 TYR H 1.0 . 4.82 917 847 A 65 TYR HB2 A 65 TYR H 1.0 . 3.30 918 848 A 65 TYR HB3 A 65 TYR H 1.0 . 3.56 919 849 A 66 PHE H A 65 TYR H 1.0 . 3.25 920 850 A 64 LYS H A 65 TYR H 1.0 . 3.19 921 851 A 66 PHE HD% A 65 TYR H 1.0 . 4.32 922 852 A 64 LYS HG3 A 65 TYR H 1.0 . 5.20 923 853 A 64 LYS HG2 A 65 TYR H 1.0 . 5.00 924 854 A 62 ILE HG2% A 65 TYR H 1.0 . 5.50 925 855 A 68 ASN HA A 68 ASN HD22 1.0 . 5.02 926 856 A 68 ASN HA A 68 ASN HD21 1.0 . 4.67 927 857 A 18 THR HG2% A 21 ASN HD22 1.0 . 5.40 928 858 A 21 ASN HA A 21 ASN HD21 1.0 . 5.32 929 859 A 21 ASN HD22 A 17 GLY HA2 1.0 . 4.44 930 860 A 21 ASN HB2 A 21 ASN HD22 1.0 . 3.89 931 861 A 21 ASN HD21 A 17 GLY HA2 1.0 . 4.47 932 862 A 18 THR HG1 A 21 ASN HD22 1.0 . 5.09 933 863 A 21 ASN HA A 21 ASN HD22 1.0 . 5.26 934 864 A 18 THR HG1 A 21 ASN HD21 1.0 . 5.09 935 865 A 18 THR HG2% A 21 ASN HD21 1.0 . 5.42 936 866 A 19 GLN HB2 A 19 GLN HE21 1.0 . 4.86 937 867 A 9 LEU HD2% A 19 GLN HE21 1.0 . 4.86 938 868 A 28 LEU H A 27 GLY H 1.0 . 3.03 939 869 A 23 ALA HA A 27 GLY H 1.0 . 4.76 940 870 A 28 LEU HD2% A 27 GLY H 1.0 . 5.48 941 871 A 24 ILE HA A 27 GLY H 1.0 . 3.81 942 872 A 18 THR H A 21 ASN H 1.0 . 4.60 943 873 A 18 THR HG1 A 18 THR H 1.0 . 4.28 944 874 A 18 THR H A 21 ASN HB2 1.0 . 3.48 945 875 A 21 ASN HB3 A 18 THR H 1.0 . 4.08 946 876 A 18 THR HG2% A 18 THR H 1.0 . 3.62 947 877 A 18 THR H A 21 ASN HD21 1.0 . 4.25 948 878 A 18 THR H A 17 GLY HA2 1.0 . 3.38 949 879 A 9 LEU HD2% A 10 GLY H 1.0 . 5.15 950 880 A 9 LEU H A 10 GLY H 1.0 . 3.56 951 881 A 10 GLY H A 11 LYS H 1.0 . 3.44 952 882 A 10 GLY H A 7 SER HA 1.0 . 4.08 953 883 A 6 SER HA A 10 GLY H 1.0 . 4.86 954 884 A 9 LEU HB3 A 10 GLY H 1.0 . 3.69 955 885 A 10 GLY H A 8 LEU HD2% 1.0 . 5.50 956 885 A 8 LEU HD1% A 10 GLY H 1.0 . 5.50 957 886 A 12 ILE HD1% A 10 GLY H 1.0 . 5.50 958 887 A 20 TYR H A 20 TYR HD% 1.0 . 4.23 959 888 A 21 ASN H A 20 TYR HD% 1.0 . 3.77 960 889 A 18 THR HG1 A 20 TYR HD% 1.0 . 4.12 961 890 A 21 ASN HA A 20 TYR HD% 1.0 . 3.91 962 891 A 20 TYR HA A 20 TYR HD% 1.0 . 3.13 963 892 A 23 ALA HB% A 20 TYR HD% 1.0 . 4.23 964 893 A 24 ILE HD1% A 20 TYR HD% 1.0 . 3.80 965 894 A 3 TYR HD% A 69 ALA HB% 1.0 . 4.03 966 895 A 66 PHE HA A 5 TYR HD% 1.0 . 4.04 967 896 A 5 TYR HD% A 5 TYR HA 1.0 . 3.56 968 897 A 5 TYR HD% A 8 LEU HD2% 1.0 . 3.44 969 898 A 65 TYR HD% A 8 LEU HB3 1.0 . 3.89 970 899 A 65 TYR HD% A 8 LEU HD2% 1.0 . 3.50 971 900 A 65 TYR HD% A 8 LEU H 1.0 . 4.14 972 901 A 65 TYR HD% A 8 LEU HA 1.0 . 3.14 973 902 A 65 TYR HD% A 61 ASP HB3 1.0 . 3.40 974 903 A 22 PHE HD% A 33 VAL HG2% 1.0 . 3.64 975 904 A 66 PHE HD% A 66 PHE HA 1.0 . 3.99 976 905 A 62 ILE HG2% A 67 PHE HD% 1.0 . 3.99 977 906 A 66 PHE HD% A 66 PHE H 1.0 . 4.02 978 907 A 66 PHE HD% A 62 ILE HG2% 1.0 . 3.68 979 908 A 67 PHE HD% A 67 PHE HA 1.0 . 3.79 980 909 A 22 PHE HD% A 54 VAL HG1% 1.0 . 4.18 981 909 A 22 PHE HE% A 54 VAL HG1% 1.0 . 4.18 982 910 A 33 VAL HG1% A 22 PHE HD% 1.0 . 5.36 983 910 A 33 VAL HG1% A 22 PHE HE% 1.0 . 5.36 984 911 A 22 PHE HD% A 33 VAL HG2% 1.0 . 4.08 985 911 A 33 VAL HG2% A 22 PHE HE% 1.0 . 4.08 986 912 A 8 LEU HD1% A 66 PHE HE% 1.0 . 4.14 987 913 A 51 ALA HB% A 66 PHE HZ 1.0 . 3.59 988 914 A 66 PHE HZ A 8 LEU HD2% 1.0 . 3.95 989 915 A 43 TRP HD1 A 47 GLU HB2 1.0 . 4.26 990 916 A 43 TRP HD1 A 47 GLU HB3 1.0 . 3.97 991 917 A 24 ILE HD1% A 20 TYR HE% 1.0 . 3.23 992 918 A 65 TYR HE% A 8 LEU HA 1.0 . 3.98 993 919 A 7 SER HB3 A 65 TYR HE% 1.0 . 4.23 994 920 A 65 TYR HE% A 61 ASP HB3 1.0 . 3.12 995 921 A 65 TYR HE% A 11 LYS HB2 1.0 . 3.90 996 922 A 11 LYS HG2 A 65 TYR HE% 1.0 . 3.45 997 923 A 67 PHE HB3 A 3 TYR HE% 1.0 . 4.04 998 924 A 67 PHE HB2 A 3 TYR HE% 1.0 . 3.52 999 925 A 69 ALA HB% A 3 TYR HE% 1.0 . 3.75 1000 926 A 37 LEU HB3 A 43 TRP HZ2 1.0 . 3.81 1001 927 A 43 TRP HZ2 A 37 LEU HG 1.0 . 3.54 1002 928 A 43 TRP HZ2 A 8 LEU HD2% 1.0 . 4.50 1003 929 A 5 TYR HE% A 66 PHE HA 1.0 . 4.50 1004 930 A 66 PHE HA A 5 TYR HD% 1.0 . 4.50 stop_ save_ save_DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode DYANA/DIANA_dihedral_2 _nef_dihedral_restraint_list.potential_type undefined _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 5 TYR C A 6 SER N A 6 SER CA A 6 SER C 1.0 -111.0 -35.0 PHI 2 2 A 6 SER N A 6 SER CA A 6 SER C A 7 SER N 1.0 -71.0 -9.0 PSI 3 3 A 6 SER C A 7 SER N A 7 SER CA A 7 SER C 1.0 -91.0 -39.0 PHI 4 4 A 7 SER N A 7 SER CA A 7 SER C A 8 LEU N 1.0 -71.0 -9.0 PSI 5 5 A 7 SER C A 8 LEU N A 8 LEU CA A 8 LEU C 1.0 -91.0 -39.0 PHI 6 6 A 8 LEU N A 8 LEU CA A 8 LEU C A 9 LEU N 1.0 -71.0 -9.0 PSI 7 7 A 8 LEU C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -91.0 -39.0 PHI 8 8 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 GLY N 1.0 -355.0 -5.0 PSI 9 9 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 GLY N 1.0 -85.0 11.0 PSI 10 10 A 11 LYS C A 12 ILE N A 12 ILE CA A 12 ILE C 1.0 -111.0 -35.0 PHI 11 11 A 12 ILE N A 12 ILE CA A 12 ILE C A 13 THR N 1.0 -71.0 -15.0 PSI 12 12 A 12 ILE C A 13 THR N A 13 THR CA A 13 THR C 1.0 -91.0 -39.0 PHI 13 13 A 13 THR N A 13 THR CA A 13 THR C A 14 GLU N 1.0 -71.0 -15.0 PSI 14 14 A 13 THR C A 14 GLU N A 14 GLU CA A 14 GLU C 1.0 -91.0 -39.0 PHI 15 15 A 14 GLU N A 14 GLU CA A 14 GLU C A 15 LYS N 1.0 -85.0 -15.0 PSI 16 16 A 18 THR C A 19 GLN N A 19 GLN CA A 19 GLN C 1.0 -111.0 -35.0 PHI 17 17 A 19 GLN N A 19 GLN CA A 19 GLN C A 20 TYR N 1.0 -71.0 -9.0 PSI 18 18 A 19 GLN C A 20 TYR N A 20 TYR CA A 20 TYR C 1.0 -91.0 -39.0 PHI 19 19 A 20 TYR N A 20 TYR CA A 20 TYR C A 21 ASN N 1.0 -71.0 -15.0 PSI 20 20 A 20 TYR C A 21 ASN N A 21 ASN CA A 21 ASN C 1.0 -91.0 -39.0 PHI 21 21 A 21 ASN N A 21 ASN CA A 21 ASN C A 22 PHE N 1.0 -71.0 -25.0 PSI 22 22 A 21 ASN C A 22 PHE N A 22 PHE CA A 22 PHE C 1.0 -91.0 -39.0 PHI 23 23 A 22 PHE N A 22 PHE CA A 22 PHE C A 23 ALA N 1.0 -71.0 -15.0 PSI 24 24 A 22 PHE C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -91.0 -39.0 PHI 25 25 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 ILE N 1.0 -71.0 -9.0 PSI 26 26 A 23 ALA C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -91.0 -39.0 PHI 27 27 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 ALA N 1.0 -71.0 -21.0 PSI 28 28 A 24 ILE C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -91.0 -39.0 PHI 29 29 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 MET N 1.0 -71.0 -9.0 PSI 30 30 A 25 ALA C A 26 MET N A 26 MET CA A 26 MET C 1.0 -91.0 -39.0 PHI 31 31 A 26 MET N A 26 MET CA A 26 MET C A 27 GLY N 1.0 -355.0 -5.0 PSI 32 32 A 26 MET N A 26 MET CA A 26 MET C A 27 GLY N 1.0 -91.0 11.0 PSI 33 33 A 29 SER C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -111.0 -35.0 PHI 34 34 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 ARG N 1.0 -71.0 -9.0 PSI 35 35 A 30 GLU C A 31 ARG N A 31 ARG CA A 31 ARG C 1.0 -91.0 -39.0 PHI 36 36 A 31 ARG N A 31 ARG CA A 31 ARG C A 32 THR N 1.0 -71.0 -9.0 PSI 37 37 A 31 ARG C A 32 THR N A 32 THR CA A 32 THR C 1.0 -91.0 -39.0 PHI 38 38 A 32 THR N A 32 THR CA A 32 THR C A 33 VAL N 1.0 -71.0 -15.0 PSI 39 39 A 32 THR C A 33 VAL N A 33 VAL CA A 33 VAL C 1.0 -91.0 -39.0 PHI 40 40 A 33 VAL N A 33 VAL CA A 33 VAL C A 34 SER N 1.0 -71.0 -15.0 PSI 41 41 A 33 VAL C A 34 SER N A 34 SER CA A 34 SER C 1.0 -91.0 -39.0 PHI 42 42 A 34 SER N A 34 SER CA A 34 SER C A 35 LEU N 1.0 -71.0 -9.0 PSI 43 43 A 34 SER C A 35 LEU N A 35 LEU CA A 35 LEU C 1.0 -91.0 -39.0 PHI 44 44 A 35 LEU N A 35 LEU CA A 35 LEU C A 36 LYS N 1.0 -71.0 -15.0 PSI 45 45 A 35 LEU C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -91.0 -39.0 PHI 46 46 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 LEU N 1.0 -355.0 -5.0 PSI 47 47 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 LEU N 1.0 -85.0 11.0 PSI 48 48 A 46 ASP C A 47 GLU N A 47 GLU CA A 47 GLU C 1.0 -111.0 -35.0 PHI 49 49 A 47 GLU N A 47 GLU CA A 47 GLU C A 48 ILE N 1.0 -71.0 -9.0 PSI 50 50 A 47 GLU C A 48 ILE N A 48 ILE CA A 48 ILE C 1.0 -91.0 -39.0 PHI 51 51 A 48 ILE N A 48 ILE CA A 48 ILE C A 49 LEU N 1.0 -71.0 -9.0 PSI 52 52 A 48 ILE C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -91.0 -39.0 PHI 53 53 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 LYS N 1.0 -71.0 -9.0 PSI 54 54 A 49 LEU C A 50 LYS N A 50 LYS CA A 50 LYS C 1.0 -91.0 -39.0 PHI 55 55 A 50 LYS N A 50 LYS CA A 50 LYS C A 51 ALA N 1.0 -71.0 -9.0 PSI 56 56 A 50 LYS C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -91.0 -39.0 PHI 57 57 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 VAL N 1.0 -71.0 -9.0 PSI 58 58 A 51 ALA C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -91.0 -39.0 PHI 59 59 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 HIS N 1.0 -71.0 -15.0 PSI 60 60 A 52 VAL C A 53 HIS N A 53 HIS CA A 53 HIS C 1.0 -91.0 -41.0 PHI 61 61 A 53 HIS N A 53 HIS CA A 53 HIS C A 54 VAL N 1.0 -71.0 -15.0 PSI 62 62 A 53 HIS C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -91.0 -39.0 PHI 63 63 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 LEU N 1.0 -75.0 -15.0 PSI 64 64 A 61 ASP C A 62 ILE N A 62 ILE CA A 62 ILE C 1.0 -110.0 -20.0 PHI 65 65 A 62 ILE N A 62 ILE CA A 62 ILE C A 63 PRO N 1.0 -90.0 4.1 PSI 66 66 A 17 GLY C A 18 THR N A 18 THR CA A 18 THR C 1.0 -195.0 -83.0 PHI 67 67 A 18 THR N A 18 THR CA A 18 THR C A 19 GLN N 1.0 103.0 205.0 PSI 68 68 A 44 LYS C A 45 ASP N A 45 ASP CA A 45 ASP C 1.0 -141.0 -35.0 PHI 69 69 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 ASP N 1.0 -355.0 -5.0 PSI 70 70 A 45 ASP N A 45 ASP CA A 45 ASP C A 46 ASP N 1.0 -85.0 19.0 PSI 71 71 A -1 GLY C A 0 SER N A 0 SER CA A 0 SER C 1.0 -325.0 -35.0 PHI 72 72 A -1 GLY C A 0 SER N A 0 SER CA A 0 SER C 1.0 -195.0 75.0 PHI 73 73 A 0 SER N A 0 SER CA A 0 SER CB A 0 SER OG 1.0 -225.0 115.0 CHI1 74 74 A 0 SER N A 0 SER CA A 0 SER C A 1 MET N 1.0 -355.0 -5.0 PSI 75 75 A 0 SER N A 0 SER CA A 0 SER C A 1 MET N 1.0 -85.0 205.0 PSI 76 76 A 0 SER C A 1 MET N A 1 MET CA A 1 MET C 1.0 -325.0 -35.0 PHI 77 77 A 0 SER C A 1 MET N A 1 MET CA A 1 MET C 1.0 -195.0 75.0 PHI 78 78 A 1 MET N A 1 MET CA A 1 MET CB A 1 MET CG 1.0 -195.0 75.0 CHI1 79 79 A 1 MET N A 1 MET CA A 1 MET C A 2 SER N 1.0 -355.0 -5.0 PSI 80 80 A 1 MET N A 1 MET CA A 1 MET C A 2 SER N 1.0 -85.0 205.0 PSI 81 81 A 1 MET C A 2 SER N A 2 SER CA A 2 SER C 1.0 -325.0 -35.0 PHI 82 82 A 1 MET C A 2 SER N A 2 SER CA A 2 SER C 1.0 -195.0 75.0 PHI 83 83 A 2 SER N A 2 SER CA A 2 SER CB A 2 SER OG 1.0 -225.0 115.0 CHI1 84 84 A 2 SER N A 2 SER CA A 2 SER C A 3 TYR N 1.0 -355.0 -5.0 PSI 85 85 A 2 SER N A 2 SER CA A 2 SER C A 3 TYR N 1.0 -85.0 205.0 PSI 86 86 A 2 SER C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -325.0 -35.0 PHI 87 87 A 2 SER C A 3 TYR N A 3 TYR CA A 3 TYR C 1.0 -195.0 75.0 PHI 88 88 A 3 TYR N A 3 TYR CA A 3 TYR CB A 3 TYR CG 1.0 -195.0 75.0 CHI1 89 89 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 ASP N 1.0 -355.0 -5.0 PSI 90 90 A 3 TYR N A 3 TYR CA A 3 TYR C A 4 ASP N 1.0 -85.0 205.0 PSI 91 91 A 3 TYR C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -325.0 -35.0 PHI 92 92 A 3 TYR C A 4 ASP N A 4 ASP CA A 4 ASP C 1.0 -185.0 75.0 PHI 93 93 A 4 ASP N A 4 ASP CA A 4 ASP CB A 4 ASP CG 1.0 -205.0 85.0 CHI1 94 94 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 TYR N 1.0 -355.0 -5.0 PSI 95 95 A 4 ASP N A 4 ASP CA A 4 ASP C A 5 TYR N 1.0 -85.0 205.0 PSI 96 96 A 4 ASP C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -325.0 -35.0 PHI 97 97 A 4 ASP C A 5 TYR N A 5 TYR CA A 5 TYR C 1.0 -195.0 75.0 PHI 98 98 A 5 TYR N A 5 TYR CA A 5 TYR CB A 5 TYR CG 1.0 -195.0 75.0 CHI1 99 99 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 SER N 1.0 -355.0 -5.0 PSI 100 100 A 5 TYR N A 5 TYR CA A 5 TYR C A 6 SER N 1.0 -85.0 115.0 PSI 101 101 A 6 SER N A 6 SER CA A 6 SER CB A 6 SER OG 1.0 -225.0 115.0 CHI1 102 102 A 7 SER N A 7 SER CA A 7 SER CB A 7 SER OG 1.0 -225.0 115.0 CHI1 103 103 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -325.0 -25.0 CHI1 104 104 A 8 LEU N A 8 LEU CA A 8 LEU CB A 8 LEU CG 1.0 -195.0 45.0 CHI1 105 105 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 -325.0 -25.0 CHI1 106 106 A 9 LEU N A 9 LEU CA A 9 LEU CB A 9 LEU CG 1.0 -195.0 45.0 CHI1 107 107 A 9 LEU C A 10 GLY N A 10 GLY CA A 10 GLY C 1.0 -325.0 -35.0 PHI 108 108 A 10 GLY N A 10 GLY CA A 10 GLY C A 11 LYS N 1.0 -125.0 125.0 PSI 109 109 A 10 GLY C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -315.0 -35.0 PHI 110 110 A 10 GLY C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -185.0 65.0 PHI 111 111 A 11 LYS N A 11 LYS CA A 11 LYS CB A 11 LYS CG 1.0 -325.0 -35.0 CHI1 112 112 A 11 LYS N A 11 LYS CA A 11 LYS CB A 11 LYS CG 1.0 -195.0 65.0 CHI1 113 113 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ILE N 1.0 -355.0 -5.0 PSI 114 114 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ILE N 1.0 -85.0 105.0 PSI 115 115 A 12 ILE N A 12 ILE CA A 12 ILE CB A 12 ILE CG1 1.0 -65.0 -15.0 CHI1 116 116 A 13 THR N A 13 THR CA A 13 THR CB A 13 THR OG1 1.0 -65.0 25.0 CHI1 117 117 A 14 GLU N A 14 GLU CA A 14 GLU CB A 14 GLU CG 1.0 -185.0 -25.0 CHI1 118 118 A 14 GLU C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -185.0 -35.0 PHI 119 119 A 15 LYS N A 15 LYS CA A 15 LYS CB A 15 LYS CG 1.0 -195.0 -15.0 CHI1 120 120 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 CYS N 1.0 -85.0 -5.0 PSI 121 121 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -325.0 -35.0 PHI 122 122 A 15 LYS C A 16 CYS N A 16 CYS CA A 16 CYS C 1.0 -195.0 75.0 PHI 123 123 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -335.0 -15.0 CHI1 124 124 A 16 CYS N A 16 CYS CA A 16 CYS CB A 16 CYS SG 1.0 -185.0 75.0 CHI1 125 125 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 -355.0 -5.0 PSI 126 126 A 16 CYS N A 16 CYS CA A 16 CYS C A 17 GLY N 1.0 -85.0 85.0 PSI 127 127 A 16 CYS C A 17 GLY N A 17 GLY CA A 17 GLY C 1.0 -325.0 -35.0 PHI 128 128 A 18 THR N A 18 THR CA A 18 THR CB A 18 THR OG1 1.0 -205.0 95.0 CHI1 129 129 A 18 THR N A 18 THR CA A 18 THR CB A 18 THR OG1 1.0 -65.0 195.0 CHI1 130 130 A 19 GLN N A 19 GLN CA A 19 GLN CB A 19 GLN CG 1.0 -345.0 -5.0 CHI1 131 131 A 19 GLN N A 19 GLN CA A 19 GLN CB A 19 GLN CG 1.0 -195.0 75.0 CHI1 132 132 A 20 TYR N A 20 TYR CA A 20 TYR CB A 20 TYR CG 1.0 -195.0 -95.0 CHI1 133 133 A 21 ASN N A 21 ASN CA A 21 ASN CB A 21 ASN CG 1.0 -195.0 -15.0 CHI1 134 134 A 22 PHE N A 22 PHE CA A 22 PHE CB A 22 PHE CG 1.0 -195.0 -25.0 CHI1 135 135 A 24 ILE N A 24 ILE CA A 24 ILE CB A 24 ILE CG1 1.0 -65.0 -25.0 CHI1 136 136 A 26 MET N A 26 MET CA A 26 MET CB A 26 MET CG 1.0 -325.0 -15.0 CHI1 137 137 A 26 MET N A 26 MET CA A 26 MET CB A 26 MET CG 1.0 -195.0 75.0 CHI1 138 138 A 26 MET C A 27 GLY N A 27 GLY CA A 27 GLY C 1.0 -325.0 -35.0 PHI 139 139 A 27 GLY N A 27 GLY CA A 27 GLY C A 28 LEU N 1.0 -105.0 105.0 PSI 140 140 A 27 GLY C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -315.0 -35.0 PHI 141 141 A 27 GLY C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -195.0 75.0 PHI 142 142 A 28 LEU N A 28 LEU CA A 28 LEU CB A 28 LEU CG 1.0 -175.0 85.0 CHI1 143 143 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 SER N 1.0 115.0 205.0 PSI 144 144 A 28 LEU C A 29 SER N A 29 SER CA A 29 SER C 1.0 -315.0 -35.0 PHI 145 145 A 28 LEU C A 29 SER N A 29 SER CA A 29 SER C 1.0 -185.0 75.0 PHI 146 146 A 29 SER N A 29 SER CA A 29 SER CB A 29 SER OG 1.0 -225.0 115.0 CHI1 147 147 A 29 SER N A 29 SER CA A 29 SER C A 30 GLU N 1.0 95.0 205.0 PSI 148 148 A 30 GLU N A 30 GLU CA A 30 GLU CB A 30 GLU CG 1.0 -345.0 5.0 CHI1 149 149 A 30 GLU N A 30 GLU CA A 30 GLU CB A 30 GLU CG 1.0 -195.0 75.0 CHI1 150 150 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 -325.0 -25.0 CHI1 151 151 A 31 ARG N A 31 ARG CA A 31 ARG CB A 31 ARG CG 1.0 -195.0 65.0 CHI1 152 152 A 32 THR N A 32 THR CA A 32 THR CB A 32 THR OG1 1.0 -65.0 5.0 CHI1 153 153 A 33 VAL N A 33 VAL CA A 33 VAL CB A 33 VAL CG1 1.0 -185.0 -145.0 CHI1 154 154 A 34 SER N A 34 SER CA A 34 SER CB A 34 SER OG 1.0 -325.0 -15.0 CHI1 155 155 A 34 SER N A 34 SER CA A 34 SER CB A 34 SER OG 1.0 -225.0 115.0 CHI1 156 156 A 35 LEU N A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 -335.0 -5.0 CHI1 157 157 A 35 LEU N A 35 LEU CA A 35 LEU CB A 35 LEU CG 1.0 -195.0 45.0 CHI1 158 158 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -325.0 -15.0 CHI1 159 159 A 36 LYS N A 36 LYS CA A 36 LYS CB A 36 LYS CG 1.0 -195.0 75.0 CHI1 160 160 A 36 LYS C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -325.0 -35.0 PHI 161 161 A 36 LYS C A 37 LEU N A 37 LEU CA A 37 LEU C 1.0 -195.0 75.0 PHI 162 162 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -335.0 -5.0 CHI1 163 163 A 37 LEU N A 37 LEU CA A 37 LEU CB A 37 LEU CG 1.0 -195.0 85.0 CHI1 164 164 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 ASN N 1.0 -355.0 -5.0 PSI 165 165 A 37 LEU N A 37 LEU CA A 37 LEU C A 38 ASN N 1.0 -85.0 125.0 PSI 166 166 A 37 LEU C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -325.0 -35.0 PHI 167 167 A 37 LEU C A 38 ASN N A 38 ASN CA A 38 ASN C 1.0 -195.0 75.0 PHI 168 168 A 38 ASN N A 38 ASN CA A 38 ASN CB A 38 ASN CG 1.0 -205.0 85.0 CHI1 169 169 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ASP N 1.0 -355.0 -5.0 PSI 170 170 A 38 ASN N A 38 ASN CA A 38 ASN C A 39 ASP N 1.0 -85.0 105.0 PSI 171 171 A 38 ASN C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -325.0 -35.0 PHI 172 172 A 38 ASN C A 39 ASP N A 39 ASP CA A 39 ASP C 1.0 -195.0 75.0 PHI 173 173 A 39 ASP N A 39 ASP CA A 39 ASP CB A 39 ASP CG 1.0 -205.0 85.0 CHI1 174 174 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LYS N 1.0 -355.0 -5.0 PSI 175 175 A 39 ASP N A 39 ASP CA A 39 ASP C A 40 LYS N 1.0 -85.0 115.0 PSI 176 176 A 39 ASP C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -325.0 -35.0 PHI 177 177 A 39 ASP C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -195.0 75.0 PHI 178 178 A 40 LYS N A 40 LYS CA A 40 LYS CB A 40 LYS CG 1.0 -195.0 75.0 CHI1 179 179 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 VAL N 1.0 -355.0 -5.0 PSI 180 180 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 VAL N 1.0 -85.0 95.0 PSI 181 181 A 40 LYS C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -325.0 -35.0 PHI 182 182 A 40 LYS C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -185.0 75.0 PHI 183 183 A 41 VAL N A 41 VAL CA A 41 VAL CB A 41 VAL CG1 1.0 -305.0 -55.0 CHI1 184 184 A 41 VAL N A 41 VAL CA A 41 VAL CB A 41 VAL CG1 1.0 -185.0 65.0 CHI1 185 185 A 41 VAL N A 41 VAL CA A 41 VAL CB A 41 VAL CG1 1.0 -105.0 225.0 CHI1 186 186 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 THR N 1.0 25.0 195.0 PSI 187 187 A 41 VAL C A 42 THR N A 42 THR CA A 42 THR C 1.0 -315.0 -35.0 PHI 188 188 A 41 VAL C A 42 THR N A 42 THR CA A 42 THR C 1.0 -185.0 75.0 PHI 189 189 A 42 THR N A 42 THR CA A 42 THR CB A 42 THR OG1 1.0 -45.0 95.0 CHI1 190 190 A 42 THR N A 42 THR CA A 42 THR C A 43 TRP N 1.0 115.0 205.0 PSI 191 191 A 42 THR C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -325.0 -35.0 PHI 192 192 A 42 THR C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -195.0 75.0 PHI 193 193 A 43 TRP N A 43 TRP CA A 43 TRP CB A 43 TRP CG 1.0 -355.0 -5.0 CHI1 194 194 A 43 TRP N A 43 TRP CA A 43 TRP CB A 43 TRP CG 1.0 -185.0 75.0 CHI1 195 195 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 LYS N 1.0 25.0 205.0 PSI 196 196 A 43 TRP C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -325.0 -35.0 PHI 197 197 A 43 TRP C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -195.0 75.0 PHI 198 198 A 44 LYS N A 44 LYS CA A 44 LYS CB A 44 LYS CG 1.0 -195.0 75.0 CHI1 199 199 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ASP N 1.0 -355.0 -5.0 PSI 200 200 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ASP N 1.0 -85.0 205.0 PSI 201 201 A 45 ASP N A 45 ASP CA A 45 ASP CB A 45 ASP CG 1.0 -205.0 85.0 CHI1 202 202 A 45 ASP C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -325.0 -35.0 PHI 203 203 A 45 ASP C A 46 ASP N A 46 ASP CA A 46 ASP C 1.0 -195.0 75.0 PHI 204 204 A 46 ASP N A 46 ASP CA A 46 ASP CB A 46 ASP CG 1.0 -205.0 85.0 CHI1 205 205 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 GLU N 1.0 -355.0 -5.0 PSI 206 206 A 46 ASP N A 46 ASP CA A 46 ASP C A 47 GLU N 1.0 -85.0 115.0 PSI 207 207 A 47 GLU N A 47 GLU CA A 47 GLU CB A 47 GLU CG 1.0 -345.0 5.0 CHI1 208 208 A 47 GLU N A 47 GLU CA A 47 GLU CB A 47 GLU CG 1.0 -195.0 75.0 CHI1 209 209 A 48 ILE N A 48 ILE CA A 48 ILE CB A 48 ILE CG1 1.0 -325.0 -25.0 CHI1 210 210 A 48 ILE N A 48 ILE CA A 48 ILE CB A 48 ILE CG1 1.0 -185.0 55.0 CHI1 211 211 A 48 ILE N A 48 ILE CA A 48 ILE CB A 48 ILE CG1 1.0 -65.0 185.0 CHI1 212 212 A 49 LEU N A 49 LEU CA A 49 LEU CB A 49 LEU CG 1.0 -335.0 -5.0 CHI1 213 213 A 49 LEU N A 49 LEU CA A 49 LEU CB A 49 LEU CG 1.0 -195.0 85.0 CHI1 214 214 A 50 LYS N A 50 LYS CA A 50 LYS CB A 50 LYS CG 1.0 -325.0 -15.0 CHI1 215 215 A 50 LYS N A 50 LYS CA A 50 LYS CB A 50 LYS CG 1.0 -195.0 75.0 CHI1 216 216 A 52 VAL N A 52 VAL CA A 52 VAL CB A 52 VAL CG1 1.0 -185.0 -145.0 CHI1 217 217 A 53 HIS N A 53 HIS CA A 53 HIS CB A 53 HIS CG 1.0 -315.0 -25.0 CHI1 218 218 A 53 HIS N A 53 HIS CA A 53 HIS CB A 53 HIS CG 1.0 -195.0 55.0 CHI1 219 219 A 54 VAL N A 54 VAL CA A 54 VAL CB A 54 VAL CG1 1.0 -185.0 -145.0 CHI1 220 220 A 54 VAL C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -325.0 -35.0 PHI 221 221 A 54 VAL C A 55 LEU N A 55 LEU CA A 55 LEU C 1.0 -185.0 75.0 PHI 222 222 A 55 LEU N A 55 LEU CA A 55 LEU CB A 55 LEU CG 1.0 -335.0 15.0 CHI1 223 223 A 55 LEU N A 55 LEU CA A 55 LEU CB A 55 LEU CG 1.0 -195.0 85.0 CHI1 224 224 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 GLU N 1.0 -355.0 -5.0 PSI 225 225 A 55 LEU N A 55 LEU CA A 55 LEU C A 56 GLU N 1.0 -85.0 95.0 PSI 226 226 A 55 LEU C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 35.0 315.0 PHI 227 227 A 55 LEU C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -195.0 75.0 PHI 228 228 A 55 LEU C A 56 GLU N A 56 GLU CA A 56 GLU C 1.0 -65.0 285.0 PHI 229 229 A 56 GLU N A 56 GLU CA A 56 GLU CB A 56 GLU CG 1.0 -345.0 -15.0 CHI1 230 230 A 56 GLU N A 56 GLU CA A 56 GLU CB A 56 GLU CG 1.0 -195.0 75.0 CHI1 231 231 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LEU N 1.0 15.0 335.0 PSI 232 232 A 56 GLU N A 56 GLU CA A 56 GLU C A 57 LEU N 1.0 -35.0 115.0 PSI 233 233 A 56 GLU C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -315.0 -35.0 PHI 234 234 A 56 GLU C A 57 LEU N A 57 LEU CA A 57 LEU C 1.0 -195.0 75.0 PHI 235 235 A 57 LEU N A 57 LEU CA A 57 LEU CB A 57 LEU CG 1.0 -165.0 85.0 CHI1 236 236 A 57 LEU N A 57 LEU CA A 57 LEU C A 58 ASN N 1.0 115.0 205.0 PSI 237 237 A 57 LEU C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 35.0 315.0 PHI 238 238 A 57 LEU C A 58 ASN N A 58 ASN CA A 58 ASN C 1.0 -185.0 65.0 PHI 239 239 A 58 ASN N A 58 ASN CA A 58 ASN CB A 58 ASN CG 1.0 25.0 285.0 CHI1 240 240 A 58 ASN N A 58 ASN CA A 58 ASN CB A 58 ASN CG 1.0 -195.0 45.0 CHI1 241 241 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 PRO N 1.0 55.0 165.0 PSI 242 242 A 58 ASN N A 58 ASN CA A 58 ASN C A 59 PRO N 1.0 -215.0 95.0 PSI 243 243 A 59 PRO N A 59 PRO CA A 59 PRO C A 60 GLN N 1.0 -55.0 -5.0 PSI 244 244 A 59 PRO C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -325.0 -35.0 PHI 245 245 A 59 PRO C A 60 GLN N A 60 GLN CA A 60 GLN C 1.0 -195.0 75.0 PHI 246 246 A 60 GLN N A 60 GLN CA A 60 GLN CB A 60 GLN CG 1.0 -195.0 75.0 CHI1 247 247 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 ASP N 1.0 -355.0 -5.0 PSI 248 248 A 60 GLN N A 60 GLN CA A 60 GLN C A 61 ASP N 1.0 -85.0 115.0 PSI 249 249 A 60 GLN C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -325.0 -35.0 PHI 250 250 A 60 GLN C A 61 ASP N A 61 ASP CA A 61 ASP C 1.0 -185.0 75.0 PHI 251 251 A 61 ASP N A 61 ASP CA A 61 ASP CB A 61 ASP CG 1.0 -335.0 -5.0 CHI1 252 252 A 61 ASP N A 61 ASP CA A 61 ASP CB A 61 ASP CG 1.0 -205.0 85.0 CHI1 253 253 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ILE N 1.0 -355.0 -5.0 PSI 254 254 A 61 ASP N A 61 ASP CA A 61 ASP C A 62 ILE N 1.0 -85.0 105.0 PSI 255 255 A 63 PRO N A 63 PRO CA A 63 PRO C A 64 LYS N 1.0 -55.0 -5.0 PSI 256 256 A 63 PRO C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -325.0 -35.0 PHI 257 257 A 63 PRO C A 64 LYS N A 64 LYS CA A 64 LYS C 1.0 -195.0 75.0 PHI 258 258 A 64 LYS N A 64 LYS CA A 64 LYS CB A 64 LYS CG 1.0 -195.0 75.0 CHI1 259 259 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 TYR N 1.0 -355.0 -5.0 PSI 260 260 A 64 LYS N A 64 LYS CA A 64 LYS C A 65 TYR N 1.0 -85.0 105.0 PSI 261 261 A 64 LYS C A 65 TYR N A 65 TYR CA A 65 TYR C 1.0 -185.0 -35.0 PHI 262 262 A 65 TYR N A 65 TYR CA A 65 TYR CB A 65 TYR CG 1.0 -355.0 -5.0 CHI1 263 263 A 65 TYR N A 65 TYR CA A 65 TYR CB A 65 TYR CG 1.0 -195.0 75.0 CHI1 264 264 A 65 TYR N A 65 TYR CA A 65 TYR C A 66 PHE N 1.0 -85.0 -5.0 PSI 265 265 A 65 TYR C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -325.0 -35.0 PHI 266 266 A 65 TYR C A 66 PHE N A 66 PHE CA A 66 PHE C 1.0 -195.0 75.0 PHI 267 267 A 66 PHE N A 66 PHE CA A 66 PHE CB A 66 PHE CG 1.0 -195.0 75.0 CHI1 268 268 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 PHE N 1.0 -355.0 -5.0 PSI 269 269 A 66 PHE N A 66 PHE CA A 66 PHE C A 67 PHE N 1.0 -85.0 135.0 PSI 270 270 A 66 PHE C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -325.0 -35.0 PHI 271 271 A 66 PHE C A 67 PHE N A 67 PHE CA A 67 PHE C 1.0 -195.0 75.0 PHI 272 272 A 67 PHE N A 67 PHE CA A 67 PHE CB A 67 PHE CG 1.0 -195.0 75.0 CHI1 273 273 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 ASN N 1.0 -355.0 -5.0 PSI 274 274 A 67 PHE N A 67 PHE CA A 67 PHE C A 68 ASN N 1.0 -85.0 135.0 PSI 275 275 A 67 PHE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -325.0 -35.0 PHI 276 276 A 67 PHE C A 68 ASN N A 68 ASN CA A 68 ASN C 1.0 -185.0 65.0 PHI 277 277 A 68 ASN N A 68 ASN CA A 68 ASN CB A 68 ASN CG 1.0 -205.0 85.0 CHI1 278 278 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ALA N 1.0 5.0 345.0 PSI 279 279 A 68 ASN N A 68 ASN CA A 68 ASN C A 69 ALA N 1.0 -85.0 205.0 PSI 280 280 A 68 ASN C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -325.0 -35.0 PHI 281 281 A 68 ASN C A 69 ALA N A 69 ALA CA A 69 ALA C 1.0 -195.0 75.0 PHI 282 282 A 69 ALA N A 69 ALA CA A 69 ALA C A 70 LYS N 1.0 25.0 205.0 PSI 283 283 A 69 ALA C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -325.0 -35.0 PHI 284 284 A 69 ALA C A 70 LYS N A 70 LYS CA A 70 LYS C 1.0 -185.0 75.0 PHI 285 285 A 70 LYS N A 70 LYS CA A 70 LYS CB A 70 LYS CG 1.0 -355.0 -5.0 CHI1 286 286 A 70 LYS N A 70 LYS CA A 70 LYS CB A 70 LYS CG 1.0 -195.0 75.0 CHI1 287 287 A 70 LYS N A 70 LYS CA A 70 LYS C A 71 VAL N 1.0 15.0 205.0 PSI 288 288 A 70 LYS C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -325.0 -35.0 PHI 289 289 A 70 LYS C A 71 VAL N A 71 VAL CA A 71 VAL C 1.0 -185.0 75.0 PHI 290 290 A 71 VAL N A 71 VAL CA A 71 VAL CB A 71 VAL CG1 1.0 -305.0 -55.0 CHI1 291 291 A 71 VAL N A 71 VAL CA A 71 VAL CB A 71 VAL CG1 1.0 -185.0 65.0 CHI1 292 292 A 71 VAL N A 71 VAL CA A 71 VAL CB A 71 VAL CG1 1.0 -105.0 225.0 CHI1 293 293 A 71 VAL N A 71 VAL CA A 71 VAL C A 72 HIS N 1.0 15.0 195.0 PSI 294 294 A 71 VAL C A 72 HIS N A 72 HIS CA A 72 HIS C 1.0 -325.0 -35.0 PHI 295 295 A 71 VAL C A 72 HIS N A 72 HIS CA A 72 HIS C 1.0 -195.0 75.0 PHI 296 296 A 72 HIS N A 72 HIS CA A 72 HIS CB A 72 HIS CG 1.0 -355.0 -5.0 CHI1 297 297 A 72 HIS N A 72 HIS CA A 72 HIS CB A 72 HIS CG 1.0 -195.0 75.0 CHI1 stop_ save_