data_nef_c30777_7jh1 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 7JH1 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 5 CYS SG 1 30 CYS SG 1 6 CYS SG 1 46 CYS SG stop_ 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 ALA start . . 2 A 2 ARG middle . . 3 A 3 LYS middle . . 4 A 4 SER middle . . 5 A 5 CYS middle -HG . 6 A 6 CYS middle -HG . 7 A 7 LEU middle . . 8 A 8 LYS middle . . 9 A 9 TYR middle . . 10 A 10 THR middle . . 11 A 11 LYS middle . . 12 A 12 ARG middle . . 13 A 13 PRO middle . false 14 A 14 LEU middle . . 15 A 15 PRO middle . false 16 A 16 LEU middle . . 17 A 17 LYS middle . . 18 A 18 ARG middle . . 19 A 19 ILE middle . . 20 A 20 LYS middle . . 21 A 21 SER middle . . 22 A 22 TYR middle . . 23 A 23 THR middle . . 24 A 24 ILE middle . . 25 A 25 GLN middle . . 26 A 26 SER middle . . 27 A 27 ASN middle . . 28 A 28 GLU middle . . 29 A 29 ALA middle . . 30 A 30 CYS middle -HG . 31 A 31 ASN middle . . 32 A 32 ILE middle . . 33 A 33 LYS middle . . 34 A 34 ALA middle . . 35 A 35 ILE middle . . 36 A 36 ILE middle . . 37 A 37 PHE middle . . 38 A 38 THR middle . . 39 A 39 THR middle . . 40 A 40 LYS middle . . 41 A 41 LYS middle . . 42 A 42 GLY middle . false 43 A 43 ARG middle . . 44 A 44 LYS middle . . 45 A 45 ILE middle . . 46 A 46 CYS middle -HG . 47 A 47 ALA middle . . 48 A 48 ASN middle . . 49 A 49 PRO middle . false 50 A 50 ASN middle . . 51 A 51 GLU middle . . 52 A 52 LYS middle . . 53 A 53 TRP middle . . 54 A 54 VAL middle . . 55 A 55 GLN middle . . 56 A 56 LYS middle . . 57 A 57 ALA middle . . 58 A 58 MET middle . . 59 A 59 LYS middle . . 60 A 60 HIS middle . . 61 A 61 LEU middle . . 62 A 62 ASP middle . . 63 A 63 LYS middle . . 64 A 64 LYS 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 2 ARG HA H 1 4.327 0.02 A 2 ARG HBy H 1 1.814 0.02 A 2 ARG HGy H 1 1.614 0.02 A 2 ARG C C 13 176.544 0.1 A 2 ARG CA C 13 56.681 0.1 A 2 ARG CB C 13 30.922 0.1 A 2 ARG CG C 13 27.335 0.1 A 3 LYS H H 1 8.602 0.02 A 3 LYS HA H 1 4.291 0.02 A 3 LYS HBy H 1 1.768 0.02 A 3 LYS HGy H 1 1.413 0.02 A 3 LYS C C 13 176.562 0.1 A 3 LYS CA C 13 56.724 0.1 A 3 LYS CB C 13 33.305 0.1 A 3 LYS CG C 13 25.022 0.1 A 3 LYS N N 15 123.827 0.1 A 4 SER H H 1 8.391 0.02 A 4 SER HA H 1 4.446 0.02 A 4 SER HBy H 1 3.791 0.02 A 4 SER C C 13 174.580 0.1 A 4 SER CA C 13 58.174 0.1 A 4 SER CB C 13 63.894 0.1 A 4 SER N N 15 117.125 0.1 A 5 CYS H H 1 8.256 0.02 A 5 CYS HA H 1 4.517 0.02 A 5 CYS HBy H 1 2.883 0.02 A 5 CYS HBx H 1 2.712 0.02 A 5 CYS C C 13 175.259 0.1 A 5 CYS CA C 13 55.572 0.1 A 5 CYS CB C 13 41.948 0.1 A 5 CYS N N 15 121.122 0.1 A 6 CYS H H 1 10.179 0.02 A 6 CYS HA H 1 4.589 0.02 A 6 CYS HBx H 1 2.775 0.02 A 6 CYS HBy H 1 3.000 0.02 A 6 CYS C C 13 175.278 0.1 A 6 CYS CA C 13 56.766 0.1 A 6 CYS CB C 13 41.462 0.1 A 6 CYS N N 15 123.363 0.1 A 7 LEU H H 1 9.088 0.02 A 7 LEU HA H 1 4.327 0.02 A 7 LEU HBy H 1 1.553 0.02 A 7 LEU HDx% H 1 0.767 0.02 A 7 LEU HDy% H 1 0.876 0.02 A 7 LEU C C 13 175.865 0.1 A 7 LEU CA C 13 55.294 0.1 A 7 LEU CB C 13 44.181 0.1 A 7 LEU CDx C 13 23.286 0.1 A 7 LEU CDy C 13 25.253 0.1 A 7 LEU N N 15 123.780 0.1 A 8 LYS H H 1 7.384 0.02 A 8 LYS HA H 1 4.136 0.02 A 8 LYS HBy H 1 1.742 0.02 A 8 LYS HBx H 1 1.629 0.02 A 8 LYS HDy H 1 1.626 0.02 A 8 LYS HEy H 1 2.947 0.02 A 8 LYS HGy H 1 1.244 0.02 A 8 LYS C C 13 174.488 0.1 A 8 LYS CA C 13 54.486 0.1 A 8 LYS CB C 13 35.396 0.1 A 8 LYS CD C 13 29.765 0.1 A 8 LYS CE C 13 42.259 0.1 A 8 LYS CG C 13 23.980 0.1 A 8 LYS N N 15 117.453 0.1 A 9 TYR H H 1 8.342 0.02 A 9 TYR HA H 1 4.796 0.02 A 9 TYR HBx H 1 2.880 0.02 A 9 TYR HBy H 1 3.351 0.02 A 9 TYR HDx H 1 6.929 0.02 A 9 TYR HEx H 1 6.879 0.02 A 9 TYR C C 13 177.352 0.1 A 9 TYR CA C 13 54.982 0.1 A 9 TYR CB C 13 40.297 0.1 A 9 TYR CDx C 13 132.514 0.1 A 9 TYR CEx C 13 118.171 0.1 A 9 TYR N N 15 121.377 0.1 A 10 THR H H 1 9.081 0.02 A 10 THR HA H 1 4.534 0.02 A 10 THR HB H 1 4.524 0.02 A 10 THR HG2% H 1 1.516 0.02 A 10 THR C C 13 174.635 0.1 A 10 THR CA C 13 62.782 0.1 A 10 THR CB C 13 69.370 0.1 A 10 THR CG2 C 13 20.512 0.1 A 10 THR N N 15 117.002 0.1 A 11 LYS H H 1 8.889 0.02 A 11 LYS HA H 1 4.598 0.02 A 11 LYS HBy H 1 2.077 0.02 A 11 LYS HBx H 1 1.802 0.02 A 11 LYS HDy H 1 1.784 0.02 A 11 LYS HEy H 1 3.077 0.02 A 11 LYS HGy H 1 1.625 0.02 A 11 LYS HGx H 1 1.560 0.02 A 11 LYS C C 13 176.360 0.1 A 11 LYS CA C 13 57.108 0.1 A 11 LYS CB C 13 33.694 0.1 A 11 LYS CD C 13 29.533 0.1 A 11 LYS CE C 13 42.375 0.1 A 11 LYS CG C 13 25.366 0.1 A 11 LYS N N 15 126.243 0.1 A 12 ARG H H 1 7.870 0.02 A 12 ARG HA H 1 4.720 0.02 A 12 ARG HBx H 1 1.605 0.02 A 12 ARG HBy H 1 1.656 0.02 A 12 ARG HDy H 1 3.130 0.02 A 12 ARG HGy H 1 1.509 0.02 A 12 ARG C C 13 172.488 0.1 A 12 ARG CA C 13 53.192 0.1 A 12 ARG CB C 13 31.837 0.1 A 12 ARG CD C 13 43.485 0.1 A 12 ARG CG C 13 26.984 0.1 A 12 ARG N N 15 120.846 0.1 A 13 PRO HA H 1 2.075 0.02 A 13 PRO HBx H 1 0.593 0.02 A 13 PRO HBy H 1 0.873 0.02 A 13 PRO HDx H 1 3.249 0.02 A 13 PRO HDy H 1 3.600 0.02 A 13 PRO HGy H 1 1.569 0.02 A 13 PRO HGx H 1 1.163 0.02 A 13 PRO CA C 13 61.928 0.1 A 13 PRO CB C 13 31.514 0.1 A 13 PRO CD C 13 50.604 0.1 A 13 PRO CG C 13 27.307 0.1 A 14 LEU HA H 1 4.440 0.02 A 14 LEU HBy H 1 1.261 0.02 A 14 LEU HBx H 1 1.171 0.02 A 14 LEU HDx% H 1 0.784 0.02 A 14 LEU HDy% H 1 0.743 0.02 A 14 LEU CA C 13 51.251 0.1 A 14 LEU CB C 13 44.132 0.1 A 14 LEU CDy C 13 25.366 0.1 A 14 LEU CDx C 13 25.042 0.1 A 15 PRO HA H 1 4.220 0.02 A 15 PRO HBx H 1 1.661 0.02 A 15 PRO HBy H 1 2.277 0.02 A 15 PRO HDy H 1 3.775 0.02 A 15 PRO HDx H 1 3.278 0.02 A 15 PRO HGy H 1 1.912 0.02 A 15 PRO C C 13 177.719 0.1 A 15 PRO CA C 13 62.441 0.1 A 15 PRO CB C 13 32.237 0.1 A 15 PRO CD C 13 51.167 0.1 A 15 PRO CG C 13 27.567 0.1 A 16 LEU H H 1 8.265 0.02 A 16 LEU HA H 1 3.708 0.02 A 16 LEU HBy H 1 1.498 0.02 A 16 LEU HBx H 1 1.289 0.02 A 16 LEU HDx% H 1 0.689 0.02 A 16 LEU HDy% H 1 0.578 0.02 A 16 LEU HG H 1 1.483 0.02 A 16 LEU C C 13 179.756 0.1 A 16 LEU CA C 13 58.574 0.1 A 16 LEU CB C 13 41.948 0.1 A 16 LEU CDx C 13 24.072 0.1 A 16 LEU CDy C 13 24.072 0.1 A 16 LEU CG C 13 26.984 0.1 A 16 LEU N N 15 125.319 0.1 A 17 LYS H H 1 8.401 0.02 A 17 LYS HA H 1 4.158 0.02 A 17 LYS HBy H 1 1.815 0.02 A 17 LYS HDy H 1 1.646 0.02 A 17 LYS HEy H 1 2.888 0.02 A 17 LYS HGy H 1 1.288 0.02 A 17 LYS C C 13 177.370 0.1 A 17 LYS CA C 13 58.262 0.1 A 17 LYS CB C 13 32.140 0.1 A 17 LYS CD C 13 29.302 0.1 A 17 LYS CE C 13 42.143 0.1 A 17 LYS CG C 13 25.022 0.1 A 17 LYS N N 15 114.267 0.1 A 18 ARG H H 1 7.794 0.02 A 18 ARG HA H 1 4.383 0.02 A 18 ARG HBy H 1 2.190 0.02 A 18 ARG HBx H 1 1.708 0.02 A 18 ARG HDy H 1 3.169 0.02 A 18 ARG HDx H 1 3.089 0.02 A 18 ARG HGy H 1 1.643 0.02 A 18 ARG C C 13 176.324 0.1 A 18 ARG CA C 13 56.084 0.1 A 18 ARG CB C 13 31.169 0.1 A 18 ARG CD C 13 43.162 0.1 A 18 ARG CG C 13 27.954 0.1 A 18 ARG N N 15 115.786 0.1 A 19 ILE H H 1 7.779 0.02 A 19 ILE HA H 1 3.815 0.02 A 19 ILE HB H 1 1.864 0.02 A 19 ILE HD1% H 1 0.244 0.02 A 19 ILE HG1y H 1 1.780 0.02 A 19 ILE HG1x H 1 0.349 0.02 A 19 ILE HG2% H 1 0.965 0.02 A 19 ILE C C 13 174.158 0.1 A 19 ILE CA C 13 63.892 0.1 A 19 ILE CB C 13 39.909 0.1 A 19 ILE CD1 C 13 13.070 0.1 A 19 ILE CG1 C 13 27.631 0.1 A 19 ILE CG2 C 13 21.204 0.1 A 19 ILE N N 15 119.914 0.1 A 20 LYS H H 1 9.343 0.02 A 20 LYS HA H 1 4.477 0.02 A 20 LYS HBx H 1 1.351 0.02 A 20 LYS HBy H 1 1.693 0.02 A 20 LYS HDx H 1 1.616 0.02 A 20 LYS HDy H 1 1.722 0.02 A 20 LYS HEy H 1 2.982 0.02 A 20 LYS HGy H 1 1.376 0.02 A 20 LYS C C 13 175.663 0.1 A 20 LYS CA C 13 57.325 0.1 A 20 LYS CB C 13 36.121 0.1 A 20 LYS CD C 13 29.896 0.1 A 20 LYS CE C 13 42.143 0.1 A 20 LYS CG C 13 25.042 0.1 A 20 LYS N N 15 126.224 0.1 A 21 SER H H 1 8.081 0.02 A 21 SER HA H 1 4.827 0.02 A 21 SER HBy H 1 4.003 0.02 A 21 SER HBx H 1 3.909 0.02 A 21 SER C C 13 172.414 0.1 A 21 SER CA C 13 58.314 0.1 A 21 SER CB C 13 65.164 0.1 A 21 SER N N 15 110.493 0.1 A 22 TYR H H 1 8.789 0.02 A 22 TYR HA H 1 5.862 0.02 A 22 TYR HBy H 1 2.786 0.02 A 22 TYR HBx H 1 2.448 0.02 A 22 TYR HDx H 1 6.743 0.02 A 22 TYR HEx H 1 6.763 0.02 A 22 TYR C C 13 173.277 0.1 A 22 TYR CA C 13 56.804 0.1 A 22 TYR CB C 13 43.696 0.1 A 22 TYR CDx C 13 132.616 0.1 A 22 TYR CEx C 13 118.716 0.1 A 22 TYR N N 15 116.962 0.1 A 23 THR H H 1 8.621 0.02 A 23 THR HA H 1 4.358 0.02 A 23 THR HB H 1 4.029 0.02 A 23 THR HG2% H 1 1.119 0.02 A 23 THR C C 13 172.525 0.1 A 23 THR CA C 13 60.606 0.1 A 23 THR CB C 13 72.051 0.1 A 23 THR CG2 C 13 21.320 0.1 A 23 THR N N 15 113.801 0.1 A 24 ILE H H 1 8.606 0.02 A 24 ILE HA H 1 4.422 0.02 A 24 ILE HB H 1 1.790 0.02 A 24 ILE HD1% H 1 0.961 0.02 A 24 ILE HG1y H 1 1.691 0.02 A 24 ILE HG1x H 1 1.020 0.02 A 24 ILE HG2% H 1 0.796 0.02 A 24 ILE C C 13 175.920 0.1 A 24 ILE CA C 13 61.972 0.1 A 24 ILE CB C 13 40.200 0.1 A 24 ILE CD1 C 13 13.569 0.1 A 24 ILE CG1 C 13 28.278 0.1 A 24 ILE CG2 C 13 17.277 0.1 A 24 ILE N N 15 122.675 0.1 A 25 GLN H H 1 9.129 0.02 A 25 GLN HA H 1 4.648 0.02 A 25 GLN HBx H 1 2.057 0.02 A 25 GLN HE2y H 1 8.109 0.02 A 25 GLN HE2x H 1 7.301 0.02 A 25 GLN HGy H 1 2.331 0.02 A 25 GLN C C 13 174.360 0.1 A 25 GLN CA C 13 54.932 0.1 A 25 GLN CB C 13 31.169 0.1 A 25 GLN CG C 13 35.665 0.1 A 25 GLN N N 15 129.795 0.1 A 25 GLN NE2 N 15 114.247 0.1 A 26 SER H H 1 8.859 0.02 A 26 SER HA H 1 4.624 0.02 A 26 SER HBy H 1 4.136 0.02 A 26 SER HBx H 1 3.894 0.02 A 26 SER C C 13 174.268 0.1 A 26 SER CA C 13 57.169 0.1 A 26 SER CB C 13 64.671 0.1 A 26 SER N N 15 123.128 0.1 A 27 ASN H H 1 8.533 0.02 A 27 ASN HA H 1 4.827 0.02 A 27 ASN HBy H 1 2.946 0.02 A 27 ASN HBx H 1 2.510 0.02 A 27 ASN HD2y H 1 7.618 0.02 A 27 ASN HD2x H 1 6.809 0.02 A 27 ASN C C 13 175.938 0.1 A 27 ASN CA C 13 53.472 0.1 A 27 ASN CB C 13 38.452 0.1 A 27 ASN N N 15 119.573 0.1 A 27 ASN ND2 N 15 111.678 0.1 A 28 GLU H H 1 8.386 0.02 A 28 GLU HA H 1 4.101 0.02 A 28 GLU HBy H 1 1.974 0.02 A 28 GLU HGy H 1 2.245 0.02 A 28 GLU C C 13 177.186 0.1 A 28 GLU CA C 13 58.985 0.1 A 28 GLU CB C 13 29.810 0.1 A 28 GLU CG C 13 36.706 0.1 A 28 GLU N N 15 119.899 0.1 A 29 ALA H H 1 8.014 0.02 A 29 ALA HA H 1 4.362 0.02 A 29 ALA HB% H 1 1.375 0.02 A 29 ALA C C 13 177.792 0.1 A 29 ALA CA C 13 52.969 0.1 A 29 ALA CB C 13 20.390 0.1 A 29 ALA N N 15 120.055 0.1 A 30 CYS H H 1 7.478 0.02 A 30 CYS HA H 1 4.981 0.02 A 30 CYS HBy H 1 3.434 0.02 A 30 CYS HBx H 1 2.803 0.02 A 30 CYS C C 13 174.305 0.1 A 30 CYS CA C 13 52.743 0.1 A 30 CYS CB C 13 42.142 0.1 A 30 CYS N N 15 114.946 0.1 A 31 ASN H H 1 8.364 0.02 A 31 ASN HA H 1 4.422 0.02 A 31 ASN HBy H 1 2.803 0.02 A 31 ASN HD2x H 1 6.904 0.02 A 31 ASN HD2y H 1 7.586 0.02 A 31 ASN C C 13 175.259 0.1 A 31 ASN CA C 13 56.231 0.1 A 31 ASN CB C 13 39.035 0.1 A 31 ASN N N 15 117.691 0.1 A 31 ASN ND2 N 15 112.706 0.1 A 32 ILE H H 1 7.449 0.02 A 32 ILE HA H 1 4.617 0.02 A 32 ILE HB H 1 1.887 0.02 A 32 ILE HD1% H 1 0.238 0.02 A 32 ILE HG1x H 1 0.958 0.02 A 32 ILE HG1y H 1 0.958 0.02 A 32 ILE HG2% H 1 0.719 0.02 A 32 ILE C C 13 175.259 0.1 A 32 ILE CA C 13 59.198 0.1 A 32 ILE CB C 13 41.365 0.1 A 32 ILE CD1 C 13 13.070 0.1 A 32 ILE CG1 C 13 25.716 0.1 A 32 ILE CG2 C 13 17.271 0.1 A 32 ILE N N 15 111.491 0.1 A 33 LYS H H 1 8.694 0.02 A 33 LYS HA H 1 4.711 0.02 A 33 LYS HBy H 1 1.776 0.02 A 33 LYS HDy H 1 1.578 0.02 A 33 LYS HEy H 1 2.812 0.02 A 33 LYS HGy H 1 1.579 0.02 A 33 LYS HGx H 1 1.258 0.02 A 33 LYS C C 13 176.214 0.1 A 33 LYS CA C 13 55.401 0.1 A 33 LYS CB C 13 33.985 0.1 A 33 LYS CD C 13 29.880 0.1 A 33 LYS CE C 13 42.259 0.1 A 33 LYS CG C 13 26.013 0.1 A 33 LYS N N 15 123.961 0.1 A 34 ALA H H 1 9.020 0.02 A 34 ALA HA H 1 4.827 0.02 A 34 ALA HB% H 1 1.395 0.02 A 34 ALA C C 13 174.048 0.1 A 34 ALA CA C 13 52.030 0.1 A 34 ALA CB C 13 23.789 0.1 A 34 ALA N N 15 123.580 0.1 A 35 ILE H H 1 8.678 0.02 A 35 ILE HA H 1 4.433 0.02 A 35 ILE HB H 1 1.304 0.02 A 35 ILE HD1% H 1 0.591 0.02 A 35 ILE HG1x H 1 1.044 0.02 A 35 ILE HG1y H 1 1.044 0.02 A 35 ILE HG2% H 1 -0.177 0.02 A 35 ILE C C 13 174.488 0.1 A 35 ILE CA C 13 58.174 0.1 A 35 ILE CB C 13 36.801 0.1 A 35 ILE CD1 C 13 10.158 0.1 A 35 ILE CG1 C 13 26.988 0.1 A 35 ILE CG2 C 13 17.155 0.1 A 35 ILE N N 15 121.534 0.1 A 36 ILE H H 1 8.859 0.02 A 36 ILE HA H 1 4.910 0.02 A 36 ILE HB H 1 1.883 0.02 A 36 ILE HD1% H 1 0.832 0.02 A 36 ILE HG1x H 1 1.104 0.02 A 36 ILE HG1y H 1 1.397 0.02 A 36 ILE HG2% H 1 0.700 0.02 A 36 ILE C C 13 178.288 0.1 A 36 ILE CA C 13 59.710 0.1 A 36 ILE CB C 13 37.675 0.1 A 36 ILE CD1 C 13 14.041 0.1 A 36 ILE CG1 C 13 28.278 0.1 A 36 ILE CG2 C 13 18.196 0.1 A 36 ILE N N 15 126.369 0.1 A 37 PHE H H 1 9.535 0.02 A 37 PHE HA H 1 5.446 0.02 A 37 PHE HBy H 1 2.998 0.02 A 37 PHE HBx H 1 2.828 0.02 A 37 PHE HDx H 1 7.226 0.02 A 37 PHE HEx H 1 6.713 0.02 A 37 PHE HZ H 1 7.050 0.02 A 37 PHE C C 13 175.975 0.1 A 37 PHE CA C 13 58.002 0.1 A 37 PHE CB C 13 41.851 0.1 A 37 PHE CDx C 13 131.897 0.1 A 37 PHE CEx C 13 131.036 0.1 A 37 PHE CZ C 13 129.963 0.1 A 37 PHE N N 15 128.683 0.1 A 38 THR H H 1 8.914 0.02 A 38 THR HA H 1 5.414 0.02 A 38 THR HB H 1 4.075 0.02 A 38 THR HG2% H 1 1.248 0.02 A 38 THR C C 13 176.085 0.1 A 38 THR CA C 13 62.185 0.1 A 38 THR CB C 13 69.817 0.1 A 38 THR CG2 C 13 21.435 0.1 A 38 THR N N 15 118.259 0.1 A 39 THR H H 1 9.624 0.02 A 39 THR HA H 1 5.093 0.02 A 39 THR HB H 1 5.023 0.02 A 39 THR HG2% H 1 1.224 0.02 A 39 THR C C 13 177.040 0.1 A 39 THR CA C 13 61.076 0.1 A 39 THR CB C 13 71.635 0.1 A 39 THR CG2 C 13 22.245 0.1 A 39 THR N N 15 118.835 0.1 A 40 LYS H H 1 8.649 0.02 A 40 LYS HA H 1 3.953 0.02 A 40 LYS HBy H 1 2.022 0.02 A 40 LYS HBx H 1 1.813 0.02 A 40 LYS HDx H 1 1.709 0.02 A 40 LYS HEy H 1 2.951 0.02 A 40 LYS HEx H 1 2.837 0.02 A 40 LYS HGy H 1 1.299 0.02 A 40 LYS C C 13 177.640 0.1 A 40 LYS CA C 13 60.310 0.1 A 40 LYS CB C 13 32.484 0.1 A 40 LYS CD C 13 29.572 0.1 A 40 LYS CE C 13 42.515 0.1 A 40 LYS CG C 13 27.307 0.1 A 40 LYS N N 15 120.773 0.1 A 41 LYS HA H 1 4.422 0.02 A 41 LYS HBx H 1 1.708 0.02 A 41 LYS HBy H 1 2.053 0.02 A 41 LYS HDy H 1 1.697 0.02 A 41 LYS HEy H 1 2.973 0.02 A 41 LYS HGy H 1 1.559 0.02 A 41 LYS HGx H 1 1.413 0.02 A 41 LYS C C 13 176.929 0.1 A 41 LYS CA C 13 56.388 0.1 A 41 LYS CB C 13 32.626 0.1 A 41 LYS CD C 13 29.533 0.1 A 41 LYS CE C 13 42.490 0.1 A 41 LYS CG C 13 25.690 0.1 A 42 GLY H H 1 8.017 0.02 A 42 GLY HAy H 1 4.231 0.02 A 42 GLY HAx H 1 3.548 0.02 A 42 GLY C C 13 174.617 0.1 A 42 GLY CA C 13 45.801 0.1 A 42 GLY N N 15 108.133 0.1 A 43 ARG H H 1 7.519 0.02 A 43 ARG HA H 1 4.422 0.02 A 43 ARG HBy H 1 1.815 0.02 A 43 ARG HDy H 1 3.171 0.02 A 43 ARG HGy H 1 1.528 0.02 A 43 ARG C C 13 175.406 0.1 A 43 ARG CA C 13 55.913 0.1 A 43 ARG CB C 13 31.460 0.1 A 43 ARG CD C 13 43.647 0.1 A 43 ARG CG C 13 27.914 0.1 A 43 ARG N N 15 120.566 0.1 A 44 LYS H H 1 8.553 0.02 A 44 LYS HA H 1 5.423 0.02 A 44 LYS HBx H 1 1.476 0.02 A 44 LYS HBy H 1 1.802 0.02 A 44 LYS HDy H 1 1.632 0.02 A 44 LYS HDx H 1 1.539 0.02 A 44 LYS HEy H 1 2.923 0.02 A 44 LYS HGy H 1 1.471 0.02 A 44 LYS HGx H 1 1.374 0.02 A 44 LYS C C 13 176.691 0.1 A 44 LYS CA C 13 55.273 0.1 A 44 LYS CB C 13 33.888 0.1 A 44 LYS CD C 13 29.572 0.1 A 44 LYS CE C 13 42.606 0.1 A 44 LYS CG C 13 25.366 0.1 A 44 LYS N N 15 121.987 0.1 A 45 ILE H H 1 9.449 0.02 A 45 ILE HA H 1 4.526 0.02 A 45 ILE HB H 1 2.025 0.02 A 45 ILE HD1% H 1 0.876 0.02 A 45 ILE HG1x H 1 1.412 0.02 A 45 ILE HG1y H 1 1.468 0.02 A 45 ILE HG2% H 1 1.197 0.02 A 45 ILE C C 13 174.599 0.1 A 45 ILE CA C 13 59.284 0.1 A 45 ILE CB C 13 41.220 0.1 A 45 ILE CD1 C 13 12.065 0.1 A 45 ILE CG1 C 13 27.631 0.1 A 45 ILE CG2 C 13 18.247 0.1 A 45 ILE N N 15 125.544 0.1 A 46 CYS H H 1 9.145 0.02 A 46 CYS HA H 1 4.969 0.02 A 46 CYS HBx H 1 3.184 0.02 A 46 CYS HBy H 1 3.470 0.02 A 46 CYS C C 13 173.589 0.1 A 46 CYS CA C 13 55.785 0.1 A 46 CYS CB C 13 43.501 0.1 A 46 CYS N N 15 127.546 0.1 A 47 ALA H H 1 10.038 0.02 A 47 ALA HA H 1 5.050 0.02 A 47 ALA HB% H 1 1.387 0.02 A 47 ALA C C 13 174.672 0.1 A 47 ALA CA C 13 51.092 0.1 A 47 ALA CB C 13 25.148 0.1 A 47 ALA N N 15 129.160 0.1 A 48 ASN H H 1 8.541 0.02 A 48 ASN HA H 1 3.157 0.02 A 48 ASN HBy H 1 2.697 0.02 A 48 ASN HBx H 1 1.809 0.02 A 48 ASN HD2y H 1 7.549 0.02 A 48 ASN HD2x H 1 7.261 0.02 A 48 ASN C C 13 173.919 0.1 A 48 ASN CA C 13 50.280 0.1 A 48 ASN CB C 13 40.250 0.1 A 48 ASN N N 15 121.280 0.1 A 48 ASN ND2 N 15 112.706 0.1 A 49 PRO HA H 1 3.872 0.02 A 49 PRO HBy H 1 2.053 0.02 A 49 PRO HBx H 1 1.758 0.02 A 49 PRO HDy H 1 3.981 0.02 A 49 PRO HDx H 1 3.585 0.02 A 49 PRO HGy H 1 1.737 0.02 A 49 PRO HGx H 1 1.543 0.02 A 49 PRO C C 13 176.195 0.1 A 49 PRO CA C 13 64.146 0.1 A 49 PRO CB C 13 32.528 0.1 A 49 PRO CD C 13 50.927 0.1 A 49 PRO CG C 13 26.984 0.1 A 50 ASN H H 1 7.763 0.02 A 50 ASN HA H 1 4.380 0.02 A 50 ASN HBy H 1 2.779 0.02 A 50 ASN HBx H 1 2.446 0.02 A 50 ASN HD2y H 1 7.653 0.02 A 50 ASN HD2x H 1 6.952 0.02 A 50 ASN C C 13 175.957 0.1 A 50 ASN CA C 13 53.524 0.1 A 50 ASN CB C 13 39.326 0.1 A 50 ASN N N 15 111.288 0.1 A 50 ASN ND2 N 15 114.247 0.1 A 51 GLU H H 1 7.168 0.02 A 51 GLU HA H 1 4.255 0.02 A 51 GLU HBx H 1 1.722 0.02 A 51 GLU HBy H 1 1.935 0.02 A 51 GLU HGy H 1 2.333 0.02 A 51 GLU HGx H 1 2.180 0.02 A 51 GLU C C 13 177.590 0.1 A 51 GLU CA C 13 56.254 0.1 A 51 GLU CB C 13 31.072 0.1 A 51 GLU CG C 13 37.979 0.1 A 51 GLU N N 15 119.474 0.1 A 52 LYS H H 1 8.935 0.02 A 52 LYS HA H 1 3.826 0.02 A 52 LYS HBx H 1 1.870 0.02 A 52 LYS HBy H 1 1.981 0.02 A 52 LYS HDy H 1 1.701 0.02 A 52 LYS HEy H 1 2.994 0.02 A 52 LYS HGy H 1 1.578 0.02 A 52 LYS HGx H 1 1.467 0.02 A 52 LYS C C 13 179.994 0.1 A 52 LYS CA C 13 60.222 0.1 A 52 LYS CB C 13 31.837 0.1 A 52 LYS CD C 13 28.925 0.1 A 52 LYS CE C 13 42.490 0.1 A 52 LYS CG C 13 25.366 0.1 A 52 LYS N N 15 125.248 0.1 A 53 TRP H H 1 8.834 0.02 A 53 TRP HA H 1 4.284 0.02 A 53 TRP HBx H 1 3.202 0.02 A 53 TRP HBy H 1 3.523 0.02 A 53 TRP HD1 H 1 7.633 0.02 A 53 TRP HE1 H 1 10.384 0.02 A 53 TRP HE3 H 1 7.272 0.02 A 53 TRP HH2 H 1 6.818 0.02 A 53 TRP HZ2 H 1 7.361 0.02 A 53 TRP HZ3 H 1 6.400 0.02 A 53 TRP C C 13 177.847 0.1 A 53 TRP CA C 13 59.881 0.1 A 53 TRP CB C 13 26.660 0.1 A 53 TRP CD1 C 13 128.697 0.1 A 53 TRP CE3 C 13 121.522 0.1 A 53 TRP CH2 C 13 123.404 0.1 A 53 TRP CZ2 C 13 116.356 0.1 A 53 TRP CZ3 C 13 121.621 0.1 A 53 TRP N N 15 117.245 0.1 A 53 TRP NE1 N 15 131.717 0.1 A 54 VAL H H 1 5.918 0.02 A 54 VAL HA H 1 2.723 0.02 A 54 VAL HB H 1 1.839 0.02 A 54 VAL HGx% H 1 0.406 0.02 A 54 VAL HGy% H 1 -0.670 0.02 A 54 VAL C C 13 177.498 0.1 A 54 VAL CA C 13 65.641 0.1 A 54 VAL CB C 13 31.363 0.1 A 54 VAL CGx C 13 21.159 0.1 A 54 VAL CGy C 13 21.667 0.1 A 54 VAL N N 15 125.067 0.1 A 55 GLN H H 1 7.208 0.02 A 55 GLN HA H 1 3.886 0.02 A 55 GLN HBy H 1 2.006 0.02 A 55 GLN HE2y H 1 7.317 0.02 A 55 GLN HE2x H 1 6.720 0.02 A 55 GLN HGy H 1 2.370 0.02 A 55 GLN HGx H 1 2.276 0.02 A 55 GLN C C 13 179.774 0.1 A 55 GLN CA C 13 58.835 0.1 A 55 GLN CB C 13 27.867 0.1 A 55 GLN CG C 13 33.455 0.1 A 55 GLN N N 15 118.704 0.1 A 55 GLN NE2 N 15 110.393 0.1 A 56 LYS H H 1 8.408 0.02 A 56 LYS HA H 1 3.963 0.02 A 56 LYS HBy H 1 1.856 0.02 A 56 LYS HDy H 1 1.694 0.02 A 56 LYS HEy H 1 2.923 0.02 A 56 LYS HGy H 1 1.419 0.02 A 56 LYS C C 13 179.187 0.1 A 56 LYS CA C 13 59.987 0.1 A 56 LYS CB C 13 32.723 0.1 A 56 LYS CD C 13 29.418 0.1 A 56 LYS CE C 13 42.375 0.1 A 56 LYS CG C 13 25.484 0.1 A 56 LYS N N 15 118.983 0.1 A 57 ALA H H 1 7.980 0.02 A 57 ALA HA H 1 4.088 0.02 A 57 ALA HB% H 1 1.387 0.02 A 57 ALA C C 13 179.517 0.1 A 57 ALA CA C 13 55.711 0.1 A 57 ALA CB C 13 18.642 0.1 A 57 ALA N N 15 122.801 0.1 A 58 MET H H 1 8.065 0.02 A 58 MET HA H 1 3.553 0.02 A 58 MET HBy H 1 1.888 0.02 A 58 MET HBx H 1 1.759 0.02 A 58 MET HE% H 1 1.774 0.02 A 58 MET HGy H 1 2.180 0.02 A 58 MET HGx H 1 0.589 0.02 A 58 MET C C 13 177.113 0.1 A 58 MET CA C 13 60.449 0.1 A 58 MET CB C 13 34.749 0.1 A 58 MET CE C 13 15.982 0.1 A 58 MET CG C 13 30.343 0.1 A 58 MET N N 15 115.757 0.1 A 59 LYS H H 1 7.420 0.02 A 59 LYS HA H 1 4.038 0.02 A 59 LYS HBy H 1 1.861 0.02 A 59 LYS HDy H 1 1.677 0.02 A 59 LYS HEy H 1 2.947 0.02 A 59 LYS HGy H 1 1.563 0.02 A 59 LYS HGx H 1 1.429 0.02 A 59 LYS C C 13 179.334 0.1 A 59 LYS CA C 13 59.355 0.1 A 59 LYS CB C 13 32.626 0.1 A 59 LYS CD C 13 29.249 0.1 A 59 LYS CE C 13 42.375 0.1 A 59 LYS CG C 13 25.042 0.1 A 59 LYS N N 15 116.066 0.1 A 60 HIS H H 1 7.897 0.02 A 60 HIS HA H 1 4.315 0.02 A 60 HIS HBy H 1 3.356 0.02 A 60 HIS HBx H 1 3.117 0.02 A 60 HIS HD2 H 1 6.821 0.02 A 60 HIS C C 13 178.012 0.1 A 60 HIS CA C 13 59.796 0.1 A 60 HIS CB C 13 31.363 0.1 A 60 HIS CD2 C 13 120.251 0.1 A 60 HIS N N 15 117.853 0.1 A 61 LEU H H 1 8.199 0.02 A 61 LEU HA H 1 4.146 0.02 A 61 LEU HBx H 1 1.800 0.02 A 61 LEU HBy H 1 2.119 0.02 A 61 LEU HDx% H 1 1.027 0.02 A 61 LEU HDy% H 1 0.925 0.02 A 61 LEU HG H 1 2.026 0.02 A 61 LEU C C 13 178.489 0.1 A 61 LEU CA C 13 56.980 0.1 A 61 LEU CB C 13 42.628 0.1 A 61 LEU CDy C 13 27.631 0.1 A 61 LEU CDx C 13 23.171 0.1 A 61 LEU CG C 13 27.631 0.1 A 61 LEU N N 15 119.806 0.1 A 62 ASP H H 1 8.204 0.02 A 62 ASP HA H 1 4.624 0.02 A 62 ASP HBy H 1 2.756 0.02 A 62 ASP C C 13 176.416 0.1 A 62 ASP CA C 13 55.572 0.1 A 62 ASP CB C 13 41.365 0.1 A 62 ASP N N 15 119.439 0.1 A 63 LYS H H 1 7.550 0.02 A 63 LYS HA H 1 4.160 0.02 A 63 LYS HBx H 1 1.852 0.02 A 63 LYS HDy H 1 1.676 0.02 A 63 LYS HEy H 1 2.980 0.02 A 63 LYS HGx H 1 1.409 0.02 A 63 LYS HGy H 1 1.459 0.02 A 63 LYS C C 13 175.681 0.1 A 63 LYS CA C 13 57.278 0.1 A 63 LYS CB C 13 32.334 0.1 A 63 LYS CD C 13 28.925 0.1 A 63 LYS CE C 13 42.515 0.1 A 63 LYS CG C 13 25.042 0.1 A 63 LYS N N 15 120.296 0.1 A 64 LYS H H 1 7.895 0.02 A 64 LYS HA H 1 4.166 0.02 A 64 LYS HBy H 1 1.849 0.02 A 64 LYS HBx H 1 1.686 0.02 A 64 LYS C C 13 181.489 0.1 A 64 LYS CA C 13 58.046 0.1 A 64 LYS CB C 13 34.102 0.1 A 64 LYS N N 15 127.889 0.1 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 21 SER H A 22 TYR H 1.0 . 4.74 2 2 A 24 ILE H A 25 GLN H 1.0 . 4.46 3 3 A 42 GLY H A 42 GLY HAy 1.0 . 2.87 4 4 A 47 ALA HB% A 54 VAL H 1.0 . 5.41 5 5 A 54 VAL H A 54 VAL HGx% 1.0 . 4.54 6 6 A 8 LYS H A 9 TYR H 1.0 . 4.80 7 7 A 9 TYR H A 10 THR H 1.0 . 4.69 8 8 A 43 ARG H A 44 LYS H 1.0 . 4.64 9 9 A 44 LYS H A 45 ILE H 1.0 . 4.75 10 10 A 42 GLY H A 43 ARG H 1.0 . 3.06 11 11 A 6 CYS H A 46 CYS HBy 1.0 . 5.29 12 12 A 6 CYS H A 6 CYS HBx 1.0 . 3.46 13 13 A 6 CYS H A 25 GLN HGx 1.0 . 5.45 14 14 A 6 CYS H A 36 ILE HG1y 1.0 . 5.50 15 15 A 6 CYS H A 36 ILE HD1% 1.0 . 4.63 16 16 A 6 CYS H A 32 ILE HG1x 1.0 . 5.48 17 16 A 6 CYS H A 32 ILE HG1y 1.0 . 5.48 18 17 A 8 LYS H A 7 LEU H 1.0 . 5.27 19 18 A 8 LYS H A 46 CYS HBx 1.0 . 5.26 20 19 A 8 LYS H A 46 CYS HBy 1.0 . 5.42 21 20 A 8 LYS H A 6 CYS HBx 1.0 . 4.97 22 21 A 8 LYS H A 6 CYS HBy 1.0 . 4.48 23 22 A 8 LYS H A 8 LYS HBx 1.0 . 4.04 24 23 A 8 LYS H A 32 ILE HD1% 1.0 . 4.59 25 24 A 10 THR H A 12 ARG H 1.0 . 5.39 26 25 A 10 THR H A 48 ASN H 1.0 . 4.70 27 26 A 10 THR H A 47 ALA HA 1.0 . 3.34 28 27 A 10 THR H A 10 THR HA 1.0 . 2.75 29 28 A 10 THR H A 46 CYS HBx 1.0 . 4.22 30 29 A 10 THR H A 48 ASN HBy 1.0 . 5.21 31 30 A 47 ALA HB% A 10 THR H 1.0 . 4.59 32 31 A 10 THR H A 47 ALA H 1.0 . 4.66 33 32 A 23 THR H A 36 ILE H 1.0 . 3.38 34 33 A 36 ILE H A 22 TYR HA 1.0 . 4.57 35 34 A 9 TYR H A 46 CYS HBy 1.0 . 5.20 36 35 A 9 TYR H A 34 ALA HB% 1.0 . 5.07 37 36 A 9 TYR H A 32 ILE HD1% 1.0 . 4.65 38 37 A 36 ILE HG1y A 36 ILE H 1.0 . 3.51 39 38 A 36 ILE H A 36 ILE HG2% 1.0 . 4.33 40 39 A 25 GLN H A 36 ILE H 1.0 . 4.52 41 40 A 36 ILE H A 37 PHE H 1.0 . 4.89 42 41 A 10 THR H A 11 LYS H 1.0 . 5.11 43 42 A 12 ARG H A 13 PRO HDy 1.0 . 5.24 44 43 A 12 ARG H A 12 ARG HBy 1.0 . 3.11 45 44 A 16 LEU H A 17 LYS H 1.0 . 3.68 46 45 A 16 LEU H A 18 ARG H 1.0 . 4.72 47 46 A 17 LYS H A 18 ARG H 1.0 . 3.34 48 47 A 16 LEU H A 16 LEU HBx 1.0 . 2.83 49 48 A 16 LEU H A 16 LEU HBy 1.0 . 3.32 50 49 A 16 LEU H A 16 LEU HDx% 1.0 . 4.66 51 50 A 16 LEU H A 16 LEU HDy% 1.0 . 4.26 52 51 A 16 LEU H A 19 ILE HD1% 1.0 . 4.70 53 52 A 17 LYS H A 19 ILE HD1% 1.0 . 5.50 54 53 A 18 ARG H A 15 PRO HDy 1.0 . 5.04 55 54 A 18 ARG H A 16 LEU HBx 1.0 . 4.76 56 55 A 18 ARG H A 16 LEU HDy% 1.0 . 5.50 57 56 A 18 ARG H A 15 PRO HBx 1.0 . 4.81 58 57 A 19 ILE H A 40 LYS H 1.0 . 5.28 59 58 A 19 ILE H A 20 LYS H 1.0 . 4.72 60 59 A 21 SER H A 20 LYS H 1.0 . 3.08 61 60 A 21 SER H A 38 THR H 1.0 . 3.25 62 61 A 19 ILE H A 39 THR HA 1.0 . 4.87 63 62 A 19 ILE H A 17 LYS HA 1.0 . 4.14 64 63 A 19 ILE H A 16 LEU HA 1.0 . 4.08 65 64 A 20 LYS H A 38 THR HB 1.0 . 4.46 66 65 A 19 ILE H A 18 ARG HBx 1.0 . 4.74 67 66 A 19 ILE H A 19 ILE HG1x 1.0 . 3.00 68 67 A 19 ILE H A 16 LEU HG 1.0 . 4.87 69 68 A 19 ILE H A 40 LYS HGx 1.0 . 4.35 70 69 A 16 LEU HDx% A 19 ILE H 1.0 . 5.19 71 70 A 20 LYS H A 20 LYS HDx 1.0 . 3.32 72 71 A 20 LYS H A 20 LYS HGx 1.0 . 3.42 73 72 A 22 TYR H A 22 TYR HDx 1.0 . 3.35 74 73 A 23 THR H A 37 PHE HDx 1.0 . 5.32 75 74 A 21 SER H A 37 PHE HA 1.0 . 4.73 76 75 A 22 TYR H A 37 PHE HA 1.0 . 5.39 77 76 A 22 TYR H A 22 TYR HBx 1.0 . 3.92 78 77 A 23 THR H A 37 PHE HA 1.0 . 4.25 79 78 A 23 THR H A 36 ILE HA 1.0 . 5.50 80 79 A 21 SER H A 19 ILE HB 1.0 . 4.75 81 80 A 21 SER H A 19 ILE HG2% 1.0 . 3.19 82 81 A 21 SER H A 19 ILE HG1y 1.0 . 5.50 83 82 A 22 TYR H A 61 LEU HBx 1.0 . 5.37 84 83 A 22 TYR H A 61 LEU HDx% 1.0 . 3.98 85 84 A 22 TYR H A 61 LEU HDy% 1.0 . 4.35 86 85 A 22 TYR H A 35 ILE HG2% 1.0 . 5.46 87 86 A 36 ILE HD1% A 23 THR H 1.0 . 5.21 88 87 A 23 THR H A 36 ILE HG2% 1.0 . 4.73 89 88 A 23 THR H A 35 ILE HD1% 1.0 . 5.11 90 89 A 23 THR H A 35 ILE HG2% 1.0 . 3.92 91 90 A 24 ILE H A 24 ILE HG1x 1.0 . 3.72 92 91 A 24 ILE H A 24 ILE HG2% 1.0 . 4.06 93 92 A 24 ILE H A 35 ILE HG2% 1.0 . 5.38 94 93 A 25 GLN H A 23 THR HG2% 1.0 . 4.37 95 94 A 25 GLN H A 35 ILE HG1x 1.0 . 4.28 96 94 A 25 GLN H A 35 ILE HG1y 1.0 . 4.28 97 95 A 25 GLN H A 35 ILE HD1% 1.0 . 3.96 98 96 A 25 GLN H A 35 ILE HG2% 1.0 . 5.08 99 97 A 25 GLN HE2y A 32 ILE H 1.0 . 4.18 100 98 A 26 SER H A 29 ALA HB% 1.0 . 5.50 101 99 A 24 ILE HG2% A 26 SER H 1.0 . 5.50 102 100 A 30 CYS H A 30 CYS HBy 1.0 . 3.86 103 101 A 32 ILE H A 27 ASN HA 1.0 . 4.92 104 102 A 32 ILE H A 30 CYS HBy 1.0 . 3.52 105 103 A 32 ILE HD1% A 32 ILE H 1.0 . 5.10 106 104 A 32 ILE H A 33 LYS H 1.0 . 4.63 107 105 A 33 LYS H A 9 TYR HEx 1.0 . 5.35 108 106 A 33 LYS H A 27 ASN HD2x 1.0 . 5.50 109 107 A 25 GLN HE2y A 34 ALA H 1.0 . 4.77 110 108 A 34 ALA H A 25 GLN HE2x 1.0 . 5.30 111 109 A 9 TYR HEx A 34 ALA H 1.0 . 5.27 112 110 A 9 TYR HEx A 35 ILE H 1.0 . 4.39 113 111 A 34 ALA H A 49 PRO HDx 1.0 . 5.44 114 112 A 35 ILE H A 49 PRO HDx 1.0 . 3.80 115 113 A 25 GLN HGx A 33 LYS H 1.0 . 5.50 116 114 A 36 ILE HD1% A 34 ALA H 1.0 . 4.33 117 115 A 32 ILE HD1% A 34 ALA H 1.0 . 5.50 118 116 A 35 ILE H A 48 ASN HA 1.0 . 4.85 119 117 A 35 ILE H A 25 GLN HBy 1.0 . 4.95 120 118 A 35 ILE H A 49 PRO HBy 1.0 . 4.84 121 119 A 35 ILE H A 35 ILE HG1x 1.0 . 3.46 122 119 A 35 ILE HG1y A 35 ILE H 1.0 . 3.46 123 120 A 35 ILE HG2% A 35 ILE H 1.0 . 4.19 124 121 A 38 THR H A 39 THR H 1.0 . 5.04 125 122 A 40 LYS H A 20 LYS H 1.0 . 4.07 126 123 A 40 LYS H A 39 THR H 1.0 . 5.13 127 124 A 42 GLY H A 40 LYS H 1.0 . 4.78 128 125 A 42 GLY H A 39 THR H 1.0 . 4.31 129 126 A 43 ARG H A 39 THR H 1.0 . 3.43 130 127 A 37 PHE H A 37 PHE HDx 1.0 . 3.98 131 128 A 45 ILE H A 37 PHE H 1.0 . 3.20 132 129 A 20 LYS H A 38 THR H 1.0 . 4.51 133 130 A 43 ARG H A 38 THR HA 1.0 . 4.68 134 131 A 43 ARG H A 39 THR HB 1.0 . 4.69 135 132 A 22 TYR HA A 37 PHE H 1.0 . 5.50 136 133 A 37 PHE H A 36 ILE HA 1.0 . 3.47 137 134 A 22 TYR HA A 38 THR H 1.0 . 3.64 138 135 A 38 THR H A 38 THR HB 1.0 . 2.92 139 136 A 39 THR H A 43 ARG HA 1.0 . 4.85 140 137 A 39 THR H A 19 ILE HA 1.0 . 5.21 141 138 A 42 GLY HAy A 39 THR H 1.0 . 4.88 142 139 A 39 THR H A 42 GLY HAx 1.0 . 5.50 143 140 A 42 GLY H A 39 THR HB 1.0 . 4.86 144 141 A 42 GLY H A 40 LYS HA 1.0 . 4.30 145 142 A 42 GLY H A 38 THR HA 1.0 . 5.42 146 143 A 40 LYS H A 19 ILE HA 1.0 . 4.03 147 144 A 40 LYS H A 18 ARG HA 1.0 . 4.61 148 145 A 37 PHE H A 37 PHE HBx 1.0 . 3.82 149 146 A 37 PHE H A 37 PHE HBy 1.0 . 3.20 150 147 A 37 PHE H A 45 ILE HB 1.0 . 3.88 151 148 A 47 ALA HB% A 37 PHE H 1.0 . 4.15 152 149 A 37 PHE H A 19 ILE HG2% 1.0 . 5.19 153 150 A 37 PHE H A 45 ILE HD1% 1.0 . 4.58 154 151 A 37 PHE H A 35 ILE HG2% 1.0 . 4.87 155 152 A 38 THR H A 22 TYR HBy 1.0 . 4.80 156 153 A 37 PHE H A 22 TYR HBy 1.0 . 5.50 157 154 A 38 THR H A 45 ILE HB 1.0 . 5.35 158 155 A 38 THR H A 38 THR HG2% 1.0 . 3.78 159 156 A 36 ILE HG2% A 38 THR H 1.0 . 4.80 160 157 A 38 THR H A 35 ILE HG2% 1.0 . 5.40 161 158 A 39 THR H A 37 PHE HBx 1.0 . 5.50 162 159 A 39 THR H A 41 LYS HBx 1.0 . 5.50 163 160 A 39 THR H A 45 ILE HD1% 1.0 . 4.93 164 161 A 40 LYS H A 18 ARG HBx 1.0 . 4.75 165 162 A 40 LYS H A 40 LYS HBx 1.0 . 3.70 166 163 A 40 LYS H A 40 LYS HBy 1.0 . 3.21 167 164 A 40 LYS H A 20 LYS HDx 1.0 . 4.04 168 165 A 40 LYS H A 19 ILE HG2% 1.0 . 5.34 169 166 A 42 GLY H A 40 LYS HBy 1.0 . 4.61 170 167 A 42 GLY H A 20 LYS HGx 1.0 . 5.07 171 168 A 43 ARG H A 41 LYS HBx 1.0 . 4.90 172 169 A 43 ARG H A 41 LYS HBy 1.0 . 3.68 173 170 A 43 ARG H A 38 THR HG2% 1.0 . 3.68 174 171 A 43 ARG H A 41 LYS HGy 1.0 . 5.45 175 172 A 43 ARG H A 45 ILE HD1% 1.0 . 5.50 176 173 A 45 ILE H A 37 PHE HDx 1.0 . 5.50 177 174 A 37 PHE H A 46 CYS H 1.0 . 4.91 178 175 A 45 ILE H A 46 CYS H 1.0 . 4.95 179 176 A 47 ALA H A 9 TYR HDx 1.0 . 4.55 180 177 A 47 ALA H A 37 PHE HDx 1.0 . 5.50 181 178 A 48 ASN H A 9 TYR HDx 1.0 . 4.33 182 179 A 48 ASN H A 47 ALA H 1.0 . 5.13 183 180 A 48 ASN H A 53 TRP HZ2 1.0 . 5.13 184 181 A 48 ASN H A 51 GLU H 1.0 . 5.43 185 182 A 50 ASN H A 50 ASN HD2x 1.0 . 4.86 186 183 A 50 ASN H A 50 ASN HD2y 1.0 . 3.48 187 184 A 51 GLU H A 50 ASN H 1.0 . 3.16 188 185 A 51 GLU H A 53 TRP H 1.0 . 5.50 189 186 A 47 ALA H A 37 PHE H 1.0 . 4.93 190 187 A 47 ALA H A 37 PHE HEx 1.0 . 5.50 191 188 A 54 VAL H A 51 GLU H 1.0 . 4.60 192 189 A 53 TRP H A 53 TRP HD1 1.0 . 3.67 193 190 A 54 VAL H A 55 GLN H 1.0 . 3.38 194 191 A 54 VAL H A 56 LYS H 1.0 . 4.46 195 192 A 54 VAL H A 53 TRP H 1.0 . 4.12 196 193 A 45 ILE H A 36 ILE HA 1.0 . 4.78 197 194 A 45 ILE H A 37 PHE HBx 1.0 . 4.81 198 195 A 45 ILE H A 37 PHE HBy 1.0 . 4.02 199 196 A 48 ASN H A 9 TYR HA 1.0 . 5.00 200 197 A 48 ASN H A 49 PRO HDx 1.0 . 4.95 201 198 A 48 ASN H A 49 PRO HDy 1.0 . 5.27 202 199 A 48 ASN H A 9 TYR HBx 1.0 . 3.69 203 200 A 48 ASN H A 48 ASN HBx 1.0 . 3.19 204 201 A 48 ASN HA A 50 ASN H 1.0 . 4.48 205 202 A 49 PRO HDx A 51 GLU H 1.0 . 5.34 206 203 A 51 GLU H A 49 PRO HA 1.0 . 4.87 207 204 A 44 LYS H A 36 ILE HG2% 1.0 . 5.50 208 205 A 45 ILE H A 45 ILE HB 1.0 . 3.03 209 206 A 45 ILE H A 45 ILE HD1% 1.0 . 4.12 210 207 A 37 PHE HBy A 46 CYS H 1.0 . 5.22 211 208 A 46 CYS H A 10 THR HG2% 1.0 . 4.22 212 209 A 36 ILE HG2% A 46 CYS H 1.0 . 5.04 213 210 A 47 ALA HB% A 47 ALA H 1.0 . 3.17 214 211 A 47 ALA H A 10 THR HG2% 1.0 . 4.42 215 212 A 36 ILE HG1y A 47 ALA H 1.0 . 4.85 216 213 A 47 ALA H A 36 ILE HG2% 1.0 . 5.31 217 214 A 54 VAL HGx% A 47 ALA H 1.0 . 5.08 218 215 A 47 ALA H A 35 ILE HG2% 1.0 . 4.92 219 216 A 47 ALA H A 54 VAL HGy% 1.0 . 5.28 220 217 A 47 ALA H A 45 ILE HB 1.0 . 5.50 221 218 A 48 ASN H A 51 GLU HGy 1.0 . 4.97 222 219 A 48 ASN H A 54 VAL HGy% 1.0 . 3.76 223 220 A 54 VAL HGx% A 50 ASN H 1.0 . 5.38 224 221 A 50 ASN H A 54 VAL HGy% 1.0 . 5.40 225 222 A 51 GLU H A 51 GLU HGy 1.0 . 3.69 226 223 A 51 GLU H A 54 VAL HGy% 1.0 . 3.94 227 224 A 53 TRP H A 51 GLU HBy 1.0 . 4.89 228 225 A 53 TRP H A 53 TRP HBy 1.0 . 3.57 229 226 A 53 TRP H A 53 TRP HBx 1.0 . 4.18 230 227 A 55 GLN H A 56 LYS H 1.0 . 3.24 231 228 A 58 MET H A 59 LYS H 1.0 . 3.19 232 229 A 59 LYS H A 60 HIS H 1.0 . 3.23 233 230 A 60 HIS H A 62 ASP H 1.0 . 4.13 234 231 A 63 LYS H A 64 LYS H 1.0 . 3.68 235 232 A 55 GLN H A 57 ALA H 1.0 . 4.56 236 233 A 53 TRP H A 55 GLN H 1.0 . 5.19 237 234 A 56 LYS H A 57 ALA H 1.0 . 3.22 238 235 A 59 LYS H A 57 ALA H 1.0 . 4.91 239 236 A 54 VAL H A 57 ALA H 1.0 . 5.50 240 237 A 57 ALA H A 37 PHE HZ 1.0 . 5.39 241 238 A 55 GLN H A 58 MET H 1.0 . 4.73 242 239 A 58 MET H A 37 PHE HZ 1.0 . 4.31 243 240 A 58 MET H A 22 TYR HEx 1.0 . 4.43 244 241 A 56 LYS H A 59 LYS H 1.0 . 5.18 245 242 A 56 LYS H A 58 MET H 1.0 . 4.62 246 243 A 59 LYS H A 22 TYR HEx 1.0 . 5.50 247 244 A 60 HIS H A 60 HIS HD2 1.0 . 4.75 248 245 A 60 HIS H A 61 LEU H 1.0 . 3.16 249 246 A 62 ASP H A 63 LYS H 1.0 . 3.22 250 247 A 59 LYS H A 62 ASP H 1.0 . 5.05 251 248 A 55 GLN H A 53 TRP HA 1.0 . 4.66 252 249 A 56 LYS H A 53 TRP HBx 1.0 . 5.47 253 250 A 57 ALA H A 53 TRP HA 1.0 . 4.65 254 251 A 58 MET H A 60 HIS HBx 1.0 . 5.22 255 252 A 60 HIS H A 57 ALA HA 1.0 . 3.63 256 253 A 60 HIS H A 58 MET HA 1.0 . 4.60 257 254 A 60 HIS H A 60 HIS HBx 1.0 . 3.02 258 255 A 61 LEU H A 57 ALA HA 1.0 . 3.95 259 256 A 62 ASP H A 60 HIS HA 1.0 . 4.55 260 257 A 62 ASP H A 59 LYS HA 1.0 . 3.86 261 258 A 63 LYS H A 63 LYS HA 1.0 . 2.81 262 259 A 55 GLN H A 55 GLN HBx 1.0 . 3.02 263 260 A 56 LYS H A 54 VAL HGy% 1.0 . 5.45 264 261 A 54 VAL HGx% A 56 LYS H 1.0 . 5.50 265 262 A 57 ALA H A 57 ALA HB% 1.0 . 2.80 266 263 A 61 LEU HDx% A 57 ALA H 1.0 . 5.40 267 264 A 16 LEU HDx% A 57 ALA H 1.0 . 5.00 268 265 A 54 VAL HGx% A 57 ALA H 1.0 . 5.18 269 266 A 19 ILE HD1% A 57 ALA H 1.0 . 5.44 270 267 A 54 VAL HGy% A 57 ALA H 1.0 . 5.38 271 268 A 58 MET H A 54 VAL HA 1.0 . 4.41 272 269 A 58 MET H A 58 MET HGx 1.0 . 2.95 273 270 A 58 MET H A 58 MET HGy 1.0 . 3.46 274 271 A 60 HIS H A 60 HIS HBy 1.0 . 2.96 275 272 A 16 LEU HDx% A 60 HIS H 1.0 . 4.91 276 273 A 16 LEU HDy% A 60 HIS H 1.0 . 4.69 277 274 A 61 LEU H A 61 LEU HG 1.0 . 2.95 278 275 A 61 LEU HDx% A 61 LEU H 1.0 . 3.76 279 276 A 16 LEU HDx% A 61 LEU H 1.0 . 4.79 280 277 A 64 LYS H A 64 LYS HBx 1.0 . 3.83 281 278 A 63 LYS H A 63 LYS HGx 1.0 . 3.69 282 279 A 16 LEU HDy% A 61 LEU H 1.0 . 4.65 283 280 A 48 ASN HBy A 48 ASN HD2y 1.0 . 3.39 284 281 A 48 ASN HD2y A 51 GLU HGx 1.0 . 4.78 285 282 A 48 ASN HBx A 48 ASN HD2y 1.0 . 3.55 286 283 A 48 ASN HD2y A 9 TYR HBy 1.0 . 5.13 287 284 A 48 ASN HA A 48 ASN HD2y 1.0 . 5.11 288 285 A 9 TYR HBx A 48 ASN HD2y 1.0 . 5.12 289 286 A 48 ASN HBy A 48 ASN HD2x 1.0 . 4.01 290 287 A 51 GLU HGy A 48 ASN HD2x 1.0 . 4.58 291 288 A 51 GLU HGx A 48 ASN HD2x 1.0 . 5.14 292 289 A 48 ASN HD2x A 50 ASN HBx 1.0 . 4.73 293 290 A 48 ASN H A 48 ASN HD2y 1.0 . 4.69 294 291 A 25 GLN HE2x A 30 CYS HA 1.0 . 5.50 295 292 A 25 GLN HE2y A 25 GLN HBy 1.0 . 3.86 296 293 A 25 GLN HGx A 25 GLN HE2y 1.0 . 3.25 297 294 A 25 GLN HE2y A 30 CYS HBy 1.0 . 3.56 298 295 A 6 CYS HBx A 25 GLN HE2y 1.0 . 4.30 299 296 A 25 GLN HE2y A 32 ILE HG1x 1.0 . 3.51 300 296 A 32 ILE HG1y A 25 GLN HE2y 1.0 . 3.51 301 297 A 25 GLN HE2y A 32 ILE HG2% 1.0 . 4.40 302 298 A 32 ILE HD1% A 25 GLN HE2y 1.0 . 4.64 303 299 A 25 GLN HE2x A 30 CYS HBx 1.0 . 4.05 304 300 A 6 CYS HBx A 25 GLN HE2x 1.0 . 3.81 305 301 A 25 GLN HE2x A 5 CYS HBx 1.0 . 3.80 306 302 A 25 GLN HE2x A 25 GLN HBy 1.0 . 4.35 307 303 A 25 GLN HE2x A 32 ILE HB 1.0 . 5.08 308 304 A 25 GLN HE2y A 32 ILE HB 1.0 . 4.84 309 305 A 25 GLN HE2x A 32 ILE HG1x 1.0 . 3.64 310 305 A 32 ILE HG1y A 25 GLN HE2x 1.0 . 3.64 311 306 A 36 ILE HD1% A 25 GLN HE2x 1.0 . 4.73 312 307 A 25 GLN HE2x A 32 ILE HG2% 1.0 . 4.53 313 308 A 32 ILE HD1% A 25 GLN HE2x 1.0 . 4.56 314 309 A 6 CYS H A 25 GLN HE2y 1.0 . 3.82 315 310 A 6 CYS H A 25 GLN HE2x 1.0 . 3.31 316 311 A 50 ASN H A 48 ASN HD2x 1.0 . 4.91 317 312 A 53 TRP H A 53 TRP HE1 1.0 . 5.50 318 313 A 13 PRO HDy A 53 TRP HE1 1.0 . 4.93 319 314 A 48 ASN HBx A 53 TRP HE1 1.0 . 5.45 320 315 A 51 GLU HGy A 53 TRP HE1 1.0 . 4.71 321 316 A 53 TRP HE1 A 13 PRO HA 1.0 . 4.27 322 317 A 53 TRP HE1 A 51 GLU HBx 1.0 . 3.92 323 318 A 51 GLU HBy A 53 TRP HE1 1.0 . 4.07 324 319 A 47 ALA HB% A 53 TRP HE1 1.0 . 4.83 325 320 A 53 TRP HE1 A 13 PRO HBx 1.0 . 5.45 326 321 A 53 TRP HE1 A 13 PRO HBy 1.0 . 4.66 327 322 A 54 VAL H A 51 GLU HBy 1.0 . 4.16 328 323 A 27 ASN H A 27 ASN HD2y 1.0 . 4.85 329 324 A 27 ASN HD2x A 27 ASN H 1.0 . 5.32 330 325 A 27 ASN HD2y A 33 LYS HA 1.0 . 4.77 331 326 A 27 ASN HA A 27 ASN HD2y 1.0 . 4.54 332 327 A 27 ASN HA A 27 ASN HD2x 1.0 . 5.08 333 328 A 34 ALA HB% A 32 ILE H 1.0 . 5.50 334 329 A 25 GLN HGx A 32 ILE H 1.0 . 5.50 335 330 A 50 ASN HD2x A 50 ASN HBy 1.0 . 4.08 336 331 A 55 GLN HA A 55 GLN HE2y 1.0 . 4.45 337 332 A 55 GLN HA A 55 GLN HE2x 1.0 . 5.42 338 333 A 55 GLN HE2y A 50 ASN HA 1.0 . 3.39 339 334 A 50 ASN HBx A 55 GLN HE2x 1.0 . 5.18 340 335 A 50 ASN HBx A 55 GLN HE2y 1.0 . 4.90 341 336 A 49 PRO HBy A 55 GLN HE2x 1.0 . 5.12 342 337 A 55 GLN HE2y A 58 MET HE% 1.0 . 4.57 343 338 A 16 LEU HDx% A 16 LEU HA 1.0 . 4.06 344 339 A 16 LEU HDy% A 16 LEU HA 1.0 . 4.27 345 340 A 16 LEU HBx A 16 LEU HDx% 1.0 . 3.95 346 341 A 16 LEU HBy A 16 LEU HDy% 1.0 . 4.05 347 342 A 16 LEU HBx A 16 LEU HDy% 1.0 . 3.82 348 343 A 18 ARG HA A 18 ARG HDy 1.0 . 4.91 349 344 A 19 ILE HG2% A 19 ILE HA 1.0 . 3.96 350 345 A 19 ILE HG2% A 19 ILE HG1y 1.0 . 3.82 351 346 A 23 THR HG2% A 23 THR HA 1.0 . 3.88 352 347 A 24 ILE HG2% A 24 ILE HA 1.0 . 3.80 353 348 A 24 ILE HA A 24 ILE HD1% 1.0 . 4.49 354 349 A 24 ILE HD1% A 24 ILE HB 1.0 . 3.62 355 350 A 24 ILE HG2% A 24 ILE HD1% 1.0 . 3.28 356 351 A 32 ILE HG2% A 32 ILE HG1x 1.0 . 3.92 357 351 A 32 ILE HG1y A 32 ILE HG2% 1.0 . 3.92 358 352 A 35 ILE HG2% A 35 ILE HA 1.0 . 3.84 359 353 A 35 ILE HD1% A 35 ILE HA 1.0 . 3.68 360 354 A 35 ILE HG2% A 35 ILE HG1x 1.0 . 3.93 361 354 A 35 ILE HG2% A 35 ILE HG1y 1.0 . 3.93 362 355 A 24 ILE HA A 35 ILE HG1x 1.0 . 5.29 363 355 A 35 ILE HG1y A 24 ILE HA 1.0 . 5.29 364 356 A 35 ILE HG2% A 35 ILE HD1% 1.0 . 3.47 365 357 A 36 ILE HD1% A 36 ILE HB 1.0 . 4.07 366 358 A 36 ILE HG2% A 36 ILE HA 1.0 . 3.84 367 359 A 36 ILE HG1y A 36 ILE HG2% 1.0 . 3.96 368 360 A 38 THR HA A 38 THR HG2% 1.0 . 3.74 369 361 A 39 THR HA A 39 THR HG2% 1.0 . 3.81 370 362 A 41 LYS HGy A 41 LYS HA 1.0 . 4.01 371 363 A 41 LYS HBy A 41 LYS HGy 1.0 . 2.71 372 364 A 45 ILE HA A 45 ILE HG2% 1.0 . 4.06 373 365 A 45 ILE HG2% A 10 THR HB 1.0 . 3.42 374 366 A 45 ILE HG2% A 45 ILE HG1x 1.0 . 3.73 375 367 A 45 ILE HD1% A 45 ILE HG2% 1.0 . 3.47 376 368 A 45 ILE HD1% A 45 ILE HA 1.0 . 4.01 377 369 A 45 ILE HD1% A 39 THR HG2% 1.0 . 3.74 378 370 A 51 GLU HGx A 51 GLU HA 1.0 . 4.22 379 371 A 54 VAL HGy% A 54 VAL HA 1.0 . 3.76 380 372 A 40 LYS HA A 40 LYS HDy 1.0 . 5.50 381 373 A 58 MET HA A 58 MET HGx 1.0 . 4.18 382 374 A 58 MET HA A 58 MET HGy 1.0 . 4.02 383 375 A 61 LEU HDy% A 61 LEU HA 1.0 . 3.50 384 376 A 61 LEU HDy% A 61 LEU HBy 1.0 . 3.86 385 377 A 63 LYS HA A 63 LYS HGy 1.0 . 4.21 386 378 A 40 LYS HGx A 40 LYS HA 1.0 . 3.63 387 379 A 16 LEU HDx% A 19 ILE HB 1.0 . 4.77 388 380 A 61 LEU HDx% A 61 LEU HA 1.0 . 4.61 389 381 A 18 ARG HA A 18 ARG HDx 1.0 . 4.91 390 382 A 9 TYR H A 8 LYS HBx 1.0 . 5.30 391 383 A 8 LYS H A 8 LYS HBy 1.0 . 3.65 392 384 A 36 ILE HG2% A 44 LYS HBx 1.0 . 4.71 393 385 A 45 ILE H A 44 LYS HBy 1.0 . 4.96 394 386 A 45 ILE H A 44 LYS HBx 1.0 . 5.34 395 387 A 18 ARG H A 17 LYS HBx 1.0 . 5.27 396 388 A 17 LYS H A 17 LYS HBx 1.0 . 3.25 397 389 A 40 LYS HA A 20 LYS HBy 1.0 . 4.25 398 390 A 21 SER H A 20 LYS HBy 1.0 . 5.01 399 391 A 21 SER H A 20 LYS HBx 1.0 . 4.36 400 392 A 20 LYS HGx A 20 LYS HBx 1.0 . 2.91 401 393 A 20 LYS HGx A 40 LYS HA 1.0 . 4.99 402 394 A 20 LYS HDx A 20 LYS HA 1.0 . 5.21 403 395 A 20 LYS HDx A 18 ARG HA 1.0 . 5.01 404 396 A 34 ALA H A 33 LYS HGy 1.0 . 5.50 405 397 A 20 LYS HDx A 40 LYS HA 1.0 . 4.29 406 398 A 49 PRO HBx A 35 ILE HG1x 1.0 . 4.20 407 398 A 35 ILE HG1y A 49 PRO HBx 1.0 . 4.20 408 399 A 40 LYS HGx A 20 LYS HDx 1.0 . 3.69 409 400 A 40 LYS HGx A 18 ARG HA 1.0 . 5.17 410 401 A 40 LYS HGx A 20 LYS HA 1.0 . 5.10 411 402 A 18 ARG HA A 40 LYS HBy 1.0 . 5.50 412 403 A 18 ARG HA A 40 LYS HDy 1.0 . 5.13 413 404 A 40 LYS HDy A 20 LYS HA 1.0 . 5.50 414 405 A 40 LYS H A 40 LYS HGx 1.0 . 3.12 415 406 A 42 GLY HAy A 40 LYS HA 1.0 . 5.22 416 407 A 41 LYS HBy A 41 LYS HGx 1.0 . 2.76 417 408 A 44 LYS HA A 44 LYS HDx 1.0 . 5.04 418 409 A 36 ILE HG2% A 44 LYS HBy 1.0 . 4.26 419 410 A 43 ARG HA A 44 LYS HGy 1.0 . 5.50 420 411 A 45 ILE H A 44 LYS HA 1.0 . 3.49 421 412 A 47 ALA HB% A 37 PHE HEx 1.0 . 4.57 422 413 A 47 ALA HB% A 54 VAL HGy% 1.0 . 3.45 423 414 A 44 LYS HDx A 44 LYS HGy 1.0 . 2.67 424 415 A 44 LYS HA A 44 LYS HDy 1.0 . 4.99 425 416 A 52 LYS HA A 55 GLN HGx 1.0 . 5.50 426 417 A 52 LYS HA A 55 GLN HGy 1.0 . 5.50 427 418 A 56 LYS H A 52 LYS HA 1.0 . 5.38 428 419 A 53 TRP HA A 56 LYS HBx 1.0 . 3.96 429 420 A 57 ALA H A 56 LYS HBx 1.0 . 3.95 430 421 A 56 LYS H A 56 LYS HBx 1.0 . 2.80 431 422 A 63 LYS H A 63 LYS HBy 1.0 . 4.17 432 423 A 64 LYS H A 64 LYS HBy 1.0 . 3.83 433 424 A 16 LEU H A 15 PRO HA 1.0 . 3.47 434 425 A 18 ARG H A 15 PRO HBy 1.0 . 4.86 435 426 A 17 LYS H A 15 PRO HBy 1.0 . 5.47 436 427 A 17 LYS H A 15 PRO HBx 1.0 . 4.55 437 428 A 14 LEU HA A 15 PRO HDx 1.0 . 3.35 438 429 A 18 ARG H A 16 LEU HA 1.0 . 5.14 439 430 A 15 PRO HDx A 14 LEU HBy 1.0 . 5.50 440 431 A 15 PRO HDx A 14 LEU HDx% 1.0 . 5.32 441 432 A 19 ILE HD1% A 16 LEU HA 1.0 . 3.93 442 433 A 16 LEU HA A 19 ILE HG1x 1.0 . 4.79 443 434 A 16 LEU HBy A 19 ILE HD1% 1.0 . 5.50 444 435 A 10 THR HG2% A 13 PRO HA 1.0 . 4.82 445 436 A 53 TRP HZ2 A 13 PRO HA 1.0 . 4.06 446 437 A 13 PRO HDy A 12 ARG HA 1.0 . 3.57 447 438 A 12 ARG HA A 13 PRO HDx 1.0 . 3.38 448 439 A 35 ILE HD1% A 49 PRO HA 1.0 . 4.67 449 440 A 47 ALA HB% A 49 PRO HA 1.0 . 5.50 450 441 A 49 PRO HBy A 35 ILE HG1x 1.0 . 4.74 451 441 A 35 ILE HG1y A 49 PRO HBy 1.0 . 4.74 452 442 A 35 ILE HD1% A 49 PRO HBy 1.0 . 5.15 453 443 A 35 ILE HD1% A 49 PRO HBx 1.0 . 4.28 454 444 A 49 PRO HGx A 35 ILE HG1x 1.0 . 4.82 455 444 A 35 ILE HG1y A 49 PRO HGx 1.0 . 4.82 456 445 A 35 ILE HD1% A 49 PRO HGx 1.0 . 5.16 457 446 A 49 PRO HGx A 34 ALA HA 1.0 . 5.50 458 447 A 34 ALA HA A 49 PRO HGy 1.0 . 4.84 459 448 A 35 ILE HD1% A 49 PRO HDy 1.0 . 5.50 460 449 A 49 PRO HDy A 34 ALA HA 1.0 . 4.58 461 450 A 49 PRO HDx A 48 ASN HA 1.0 . 3.73 462 451 A 50 ASN H A 49 PRO HDy 1.0 . 4.93 463 452 A 35 ILE H A 49 PRO HDy 1.0 . 4.99 464 453 A 35 ILE H A 49 PRO HGy 1.0 . 5.47 465 454 A 49 PRO HA A 54 VAL HGy% 1.0 . 5.39 466 455 A 42 GLY HAx A 38 THR HG2% 1.0 . 4.44 467 456 A 42 GLY HAy A 38 THR HG2% 1.0 . 3.94 468 457 A 13 PRO HDy A 12 ARG HBx 1.0 . 4.80 469 458 A 13 PRO HDy A 12 ARG HBy 1.0 . 5.08 470 459 A 18 ARG HBx A 39 THR HG2% 1.0 . 4.99 471 460 A 18 ARG HBx A 39 THR HB 1.0 . 5.39 472 461 A 46 CYS HBy A 9 TYR HDx 1.0 . 5.29 473 462 A 39 THR HA A 19 ILE HG2% 1.0 . 5.18 474 463 A 19 ILE HG2% A 20 LYS HA 1.0 . 5.50 475 464 A 22 TYR HDx A 19 ILE HG2% 1.0 . 4.29 476 465 A 19 ILE H A 19 ILE HG2% 1.0 . 3.88 477 466 A 38 THR H A 19 ILE HG2% 1.0 . 3.66 478 467 A 20 LYS H A 19 ILE HG2% 1.0 . 4.05 479 468 A 44 LYS H A 43 ARG HA 1.0 . 3.47 480 469 A 19 ILE HG1y A 14 LEU HDy% 1.0 . 4.91 481 470 A 19 ILE HG1y A 39 THR HG2% 1.0 . 5.19 482 471 A 19 ILE HG1y A 45 ILE HG1x 1.0 . 5.43 483 472 A 16 LEU HA A 19 ILE HB 1.0 . 5.10 484 473 A 19 ILE HG2% A 37 PHE HBx 1.0 . 4.21 485 474 A 19 ILE HG2% A 37 PHE HBy 1.0 . 4.70 486 475 A 19 ILE HD1% A 19 ILE HG2% 1.0 . 3.20 487 476 A 6 CYS HBy A 32 ILE HD1% 1.0 . 4.96 488 477 A 6 CYS HBx A 32 ILE HD1% 1.0 . 5.05 489 478 A 19 ILE HD1% A 19 ILE HA 1.0 . 5.09 490 479 A 32 ILE HD1% A 8 LYS HA 1.0 . 4.80 491 480 A 19 ILE HG1x A 39 THR HG2% 1.0 . 5.19 492 481 A 40 LYS HA A 20 LYS HBx 1.0 . 4.84 493 482 A 38 THR HB A 20 LYS HBx 1.0 . 4.74 494 483 A 16 LEU HG A 19 ILE HB 1.0 . 5.39 495 484 A 19 ILE HD1% A 19 ILE HB 1.0 . 3.60 496 485 A 19 ILE H A 19 ILE HB 1.0 . 3.82 497 486 A 19 ILE HD1% A 53 TRP HZ3 1.0 . 4.72 498 487 A 32 ILE HD1% A 9 TYR HEx 1.0 . 4.41 499 488 A 19 ILE HD1% A 19 ILE H 1.0 . 5.13 500 489 A 47 ALA HB% A 53 TRP HH2 1.0 . 3.75 501 490 A 47 ALA HB% A 53 TRP HZ2 1.0 . 3.79 502 491 A 47 ALA HB% A 48 ASN H 1.0 . 3.85 503 492 A 35 ILE HD1% A 24 ILE HA 1.0 . 3.46 504 493 A 25 GLN HBy A 24 ILE HA 1.0 . 5.20 505 494 A 48 ASN HBy A 34 ALA HB% 1.0 . 5.50 506 495 A 48 ASN HBy A 10 THR HG2% 1.0 . 5.34 507 496 A 24 ILE HG2% A 26 SER HBx 1.0 . 4.94 508 497 A 35 ILE HD1% A 24 ILE HG1y 1.0 . 4.68 509 498 A 35 ILE HD1% A 24 ILE HB 1.0 . 5.50 510 499 A 24 ILE H A 24 ILE HG1y 1.0 . 3.72 511 500 A 24 ILE H A 24 ILE HD1% 1.0 . 5.11 512 501 A 32 ILE HD1% A 32 ILE HB 1.0 . 3.96 513 502 A 32 ILE HD1% A 32 ILE HA 1.0 . 5.43 514 503 A 6 CYS HBy A 32 ILE HG1x 1.0 . 5.50 515 503 A 32 ILE HG1y A 6 CYS HBy 1.0 . 5.50 516 504 A 7 LEU HA A 32 ILE HG1x 1.0 . 5.50 517 504 A 32 ILE HG1y A 7 LEU HA 1.0 . 5.50 518 505 A 32 ILE HG2% A 32 ILE HA 1.0 . 3.93 519 506 A 33 LYS H A 32 ILE HA 1.0 . 3.50 520 507 A 32 ILE H A 32 ILE HB 1.0 . 3.98 521 508 A 32 ILE H A 32 ILE HG2% 1.0 . 3.58 522 509 A 32 ILE H A 32 ILE HG1x 1.0 . 3.17 523 509 A 32 ILE HG1y A 32 ILE H 1.0 . 3.17 524 510 A 33 LYS H A 32 ILE HG1x 1.0 . 5.50 525 510 A 32 ILE HG1y A 33 LYS H 1.0 . 5.50 526 511 A 32 ILE HD1% A 32 ILE HG2% 1.0 . 3.34 527 512 A 19 ILE HD1% A 14 LEU HBx 1.0 . 4.37 528 513 A 35 ILE HA A 49 PRO HGx 1.0 . 5.22 529 514 A 54 VAL HGx% A 35 ILE HG2% 1.0 . 3.99 530 515 A 35 ILE HG2% A 58 MET HE% 1.0 . 4.96 531 516 A 35 ILE HG2% A 58 MET HGx 1.0 . 4.74 532 517 A 35 ILE HG2% A 22 TYR HBy 1.0 . 4.00 533 518 A 22 TYR HBx A 35 ILE HG2% 1.0 . 4.55 534 519 A 35 ILE H A 35 ILE HB 1.0 . 4.08 535 520 A 37 PHE HEx A 35 ILE HB 1.0 . 5.50 536 521 A 22 TYR HDx A 35 ILE HG2% 1.0 . 3.92 537 522 A 36 ILE H A 35 ILE HG2% 1.0 . 4.07 538 523 A 22 TYR HA A 35 ILE HG2% 1.0 . 5.30 539 524 A 37 PHE HEx A 35 ILE HA 1.0 . 5.50 540 525 A 34 ALA HB% A 9 TYR HEx 1.0 . 3.21 541 526 A 54 VAL HGy% A 35 ILE HG1x 1.0 . 5.50 542 526 A 35 ILE HG1y A 54 VAL HGy% 1.0 . 5.50 543 527 A 24 ILE HG2% A 35 ILE HG1x 1.0 . 4.67 544 527 A 24 ILE HG2% A 35 ILE HG1y 1.0 . 4.67 545 528 A 35 ILE HD1% A 24 ILE HG2% 1.0 . 3.34 546 529 A 49 PRO HGy A 35 ILE HG1x 1.0 . 4.55 547 529 A 35 ILE HG1y A 49 PRO HGy 1.0 . 4.55 548 530 A 49 PRO HA A 35 ILE HG1x 1.0 . 3.88 549 530 A 35 ILE HG1y A 49 PRO HA 1.0 . 3.88 550 531 A 49 PRO HDx A 35 ILE HG1x 1.0 . 5.26 551 531 A 35 ILE HG1y A 49 PRO HDx 1.0 . 5.26 552 532 A 35 ILE HD1% A 24 ILE HG1x 1.0 . 4.68 553 533 A 35 ILE HD1% A 25 GLN HBy 1.0 . 4.30 554 534 A 35 ILE HD1% A 35 ILE H 1.0 . 4.10 555 535 A 36 ILE HB A 23 THR HB 1.0 . 4.97 556 536 A 36 ILE HG2% A 44 LYS HA 1.0 . 4.38 557 537 A 36 ILE HG2% A 44 LYS HDx 1.0 . 3.93 558 538 A 36 ILE HG2% A 44 LYS HDy 1.0 . 3.62 559 539 A 36 ILE HG2% A 36 ILE HG1x 1.0 . 3.73 560 540 A 44 LYS HDy A 36 ILE HG1x 1.0 . 4.79 561 541 A 25 GLN HBy A 36 ILE HG1x 1.0 . 5.28 562 542 A 36 ILE HD1% A 36 ILE HG2% 1.0 . 2.99 563 543 A 36 ILE HD1% A 23 THR HG2% 1.0 . 3.29 564 544 A 36 ILE HD1% A 6 CYS HBy 1.0 . 5.14 565 545 A 6 CYS HBx A 36 ILE HD1% 1.0 . 5.23 566 546 A 36 ILE HD1% A 36 ILE HA 1.0 . 4.56 567 547 A 36 ILE HD1% A 25 GLN HA 1.0 . 5.50 568 548 A 36 ILE HD1% A 24 ILE HA 1.0 . 5.50 569 549 A 23 THR H A 36 ILE HB 1.0 . 3.70 570 550 A 36 ILE H A 36 ILE HB 1.0 . 3.12 571 551 A 45 ILE H A 36 ILE HG2% 1.0 . 4.54 572 552 A 36 ILE HG2% A 37 PHE H 1.0 . 4.38 573 553 A 36 ILE H A 36 ILE HG1x 1.0 . 4.61 574 554 A 36 ILE HD1% A 36 ILE H 1.0 . 5.01 575 555 A 25 GLN H A 36 ILE HD1% 1.0 . 3.22 576 556 A 37 PHE HA A 45 ILE HB 1.0 . 5.24 577 557 A 45 ILE H A 45 ILE HG1x 1.0 . 4.86 578 558 A 37 PHE HBy A 45 ILE HG1y 1.0 . 5.50 579 559 A 45 ILE HG2% A 45 ILE HG1y 1.0 . 3.55 580 560 A 45 ILE H A 45 ILE HG1y 1.0 . 5.00 581 561 A 19 ILE HG1y A 45 ILE HD1% 1.0 . 4.80 582 562 A 45 ILE HD1% A 14 LEU HDx% 1.0 . 3.13 583 563 A 32 ILE HD1% A 7 LEU HA 1.0 . 4.59 584 564 A 15 PRO HDy A 14 LEU HA 1.0 . 3.77 585 565 A 19 ILE HG1x A 14 LEU HBx 1.0 . 5.50 586 566 A 15 PRO HDy A 14 LEU HBx 1.0 . 5.19 587 567 A 15 PRO HDx A 14 LEU HBx 1.0 . 5.50 588 568 A 19 ILE HG1x A 14 LEU HBy 1.0 . 5.50 589 569 A 15 PRO HDy A 14 LEU HBy 1.0 . 5.19 590 570 A 19 ILE HD1% A 14 LEU HBy 1.0 . 4.37 591 571 A 19 ILE HG1y A 14 LEU HBy 1.0 . 5.22 592 572 A 19 ILE HG1y A 14 LEU HBx 1.0 . 5.22 593 573 A 39 THR HG2% A 14 LEU HDx% 1.0 . 3.74 594 574 A 19 ILE HG1y A 14 LEU HDx% 1.0 . 4.91 595 575 A 45 ILE HD1% A 14 LEU HDy% 1.0 . 3.13 596 576 A 39 THR HG2% A 14 LEU HDy% 1.0 . 3.74 597 577 A 53 TRP HZ3 A 14 LEU HBy 1.0 . 4.98 598 578 A 53 TRP HH2 A 14 LEU HBy 1.0 . 5.47 599 579 A 53 TRP HZ3 A 14 LEU HBx 1.0 . 4.98 600 580 A 53 TRP HH2 A 14 LEU HBx 1.0 . 5.47 601 581 A 15 PRO HDy A 14 LEU HDx% 1.0 . 5.21 602 582 A 15 PRO HDy A 14 LEU HDy% 1.0 . 5.21 603 583 A 15 PRO HDx A 14 LEU HDy% 1.0 . 5.32 604 584 A 14 LEU HA A 14 LEU HDy% 1.0 . 5.15 605 585 A 14 LEU HA A 14 LEU HDx% 1.0 . 5.15 606 586 A 16 LEU HBy A 15 PRO HA 1.0 . 5.50 607 587 A 16 LEU HBx A 19 ILE HD1% 1.0 . 5.50 608 588 A 16 LEU HBx A 15 PRO HA 1.0 . 5.50 609 589 A 16 LEU HDx% A 57 ALA HB% 1.0 . 3.92 610 590 A 16 LEU H A 16 LEU HG 1.0 . 4.48 611 591 A 16 LEU HDy% A 57 ALA HA 1.0 . 3.93 612 592 A 16 LEU HDx% A 60 HIS HA 1.0 . 5.50 613 593 A 16 LEU HDx% A 60 HIS HD2 1.0 . 4.32 614 594 A 16 LEU HDx% A 60 HIS HBy 1.0 . 4.66 615 595 A 16 LEU HDx% A 19 ILE HD1% 1.0 . 3.70 616 596 A 61 LEU HDx% A 61 LEU HBy 1.0 . 3.68 617 597 A 58 MET HA A 61 LEU HBy 1.0 . 5.29 618 598 A 61 LEU HBx A 58 MET HA 1.0 . 4.30 619 599 A 16 LEU HDx% A 61 LEU HG 1.0 . 5.32 620 600 A 57 ALA HB% A 61 LEU HG 1.0 . 4.55 621 601 A 19 ILE HD1% A 61 LEU HDy% 1.0 . 4.45 622 602 A 61 LEU HBx A 61 LEU HDx% 1.0 . 3.43 623 603 A 16 LEU HDx% A 61 LEU HDx% 1.0 . 4.09 624 604 A 61 LEU HDx% A 58 MET HGy 1.0 . 3.84 625 605 A 19 ILE HD1% A 61 LEU HDx% 1.0 . 4.26 626 606 A 22 TYR HBx A 61 LEU HDx% 1.0 . 4.70 627 607 A 60 HIS HD2 A 61 LEU HA 1.0 . 5.47 628 608 A 22 TYR HDx A 61 LEU HBy 1.0 . 3.81 629 609 A 61 LEU HBx A 61 LEU H 1.0 . 2.80 630 610 A 22 TYR HDx A 61 LEU HG 1.0 . 5.06 631 611 A 61 LEU HDy% A 20 LYS HA 1.0 . 5.26 632 612 A 61 LEU HDy% A 21 SER HA 1.0 . 5.12 633 613 A 61 LEU HDy% A 60 HIS HD2 1.0 . 4.26 634 614 A 22 TYR HDx A 61 LEU HDy% 1.0 . 4.99 635 615 A 21 SER H A 61 LEU HDy% 1.0 . 5.50 636 616 A 61 LEU HDy% A 61 LEU H 1.0 . 3.73 637 617 A 61 LEU HDx% A 21 SER HA 1.0 . 4.97 638 618 A 22 TYR HDx A 61 LEU HDx% 1.0 . 3.34 639 619 A 37 PHE HDx A 61 LEU HDx% 1.0 . 4.91 640 620 A 61 LEU HDx% A 37 PHE HZ 1.0 . 5.50 641 621 A 61 LEU HDx% A 58 MET H 1.0 . 4.92 642 622 A 35 ILE HG2% A 58 MET HGy 1.0 . 4.59 643 623 A 54 VAL HGx% A 58 MET HGy 1.0 . 4.74 644 624 A 57 ALA HB% A 58 MET HGy 1.0 . 5.50 645 625 A 58 MET HGy A 35 ILE HG1x 1.0 . 5.50 646 625 A 35 ILE HG1y A 58 MET HGy 1.0 . 5.50 647 626 A 54 VAL HGx% A 58 MET HGx 1.0 . 4.65 648 627 A 58 MET HGx A 35 ILE HG1x 1.0 . 5.50 649 627 A 35 ILE HG1y A 58 MET HGx 1.0 . 5.50 650 628 A 61 LEU HDx% A 58 MET HA 1.0 . 4.49 651 629 A 61 LEU H A 58 MET HA 1.0 . 3.68 652 630 A 55 GLN HA A 58 MET HBx 1.0 . 4.52 653 631 A 22 TYR HDx A 58 MET HBx 1.0 . 5.50 654 632 A 22 TYR HEx A 58 MET HBy 1.0 . 5.50 655 633 A 37 PHE HZ A 58 MET HGy 1.0 . 5.50 656 634 A 58 MET HGx A 55 GLN HA 1.0 . 5.48 657 635 A 22 TYR HEx A 58 MET HGx 1.0 . 5.10 658 636 A 37 PHE HZ A 58 MET HGx 1.0 . 4.73 659 637 A 35 ILE HD1% A 58 MET HE% 1.0 . 3.33 660 638 A 54 VAL HGx% A 58 MET HE% 1.0 . 4.09 661 639 A 58 MET HE% A 35 ILE HG1x 1.0 . 3.85 662 639 A 35 ILE HG1y A 58 MET HE% 1.0 . 3.85 663 640 A 55 GLN HA A 58 MET HE% 1.0 . 3.78 664 641 A 58 MET H A 58 MET HE% 1.0 . 5.43 665 642 A 32 ILE HD1% A 34 ALA HB% 1.0 . 3.72 666 643 A 36 ILE HG1y A 34 ALA HB% 1.0 . 3.87 667 644 A 34 ALA HB% A 32 ILE HG1x 1.0 . 4.09 668 644 A 32 ILE HG1y A 34 ALA HB% 1.0 . 4.09 669 645 A 36 ILE HD1% A 34 ALA HB% 1.0 . 4.07 670 646 A 6 CYS HBx A 34 ALA HB% 1.0 . 4.15 671 647 A 46 CYS HBy A 34 ALA HB% 1.0 . 5.08 672 648 A 34 ALA HB% A 49 PRO HDx 1.0 . 5.02 673 649 A 35 ILE HA A 34 ALA HA 1.0 . 4.60 674 650 A 49 PRO HDx A 34 ALA HA 1.0 . 4.10 675 651 A 9 TYR HEx A 34 ALA HA 1.0 . 5.30 676 652 A 34 ALA HB% A 46 CYS HA 1.0 . 4.44 677 653 A 34 ALA HB% A 25 GLN HE2x 1.0 . 3.78 678 654 A 34 ALA HB% A 25 GLN HE2y 1.0 . 3.76 679 655 A 34 ALA HB% A 34 ALA H 1.0 . 4.07 680 656 A 7 LEU H A 34 ALA HB% 1.0 . 4.87 681 657 A 6 CYS H A 34 ALA HB% 1.0 . 4.61 682 658 A 36 ILE H A 34 ALA HB% 1.0 . 5.50 683 659 A 47 ALA HA A 9 TYR HBx 1.0 . 4.58 684 660 A 46 CYS HBx A 46 CYS H 1.0 . 3.08 685 661 A 46 CYS HBx A 9 TYR HDx 1.0 . 5.50 686 662 A 46 CYS HBx A 9 TYR HA 1.0 . 5.09 687 663 A 10 THR H A 46 CYS HA 1.0 . 4.85 688 664 A 47 ALA H A 46 CYS HA 1.0 . 3.45 689 665 A 16 LEU HDx% A 57 ALA HA 1.0 . 4.05 690 666 A 19 ILE HD1% A 57 ALA HA 1.0 . 5.50 691 667 A 61 LEU HDx% A 57 ALA HA 1.0 . 5.50 692 668 A 60 HIS HBx A 57 ALA HA 1.0 . 4.19 693 669 A 16 LEU HBy A 57 ALA HB% 1.0 . 3.08 694 670 A 61 LEU HDx% A 57 ALA HB% 1.0 . 3.87 695 671 A 54 VAL HGx% A 57 ALA HB% 1.0 . 4.61 696 672 A 19 ILE HD1% A 57 ALA HB% 1.0 . 3.66 697 673 A 57 ALA HB% A 54 VAL HA 1.0 . 4.03 698 674 A 57 ALA HB% A 53 TRP HZ3 1.0 . 4.83 699 675 A 55 GLN H A 57 ALA HB% 1.0 . 4.74 700 676 A 57 ALA HB% A 53 TRP HE3 1.0 . 4.76 701 677 A 54 VAL HGx% A 51 GLU HBy 1.0 . 5.50 702 678 A 39 THR HG2% A 18 ARG HBy 1.0 . 5.09 703 679 A 48 ASN HBx A 51 GLU HBy 1.0 . 5.33 704 680 A 18 ARG H A 18 ARG HBy 1.0 . 3.00 705 681 A 51 GLU H A 51 GLU HBy 1.0 . 4.03 706 682 A 54 VAL HGy% A 51 GLU HBy 1.0 . 4.03 707 683 A 54 VAL HGx% A 35 ILE HG1x 1.0 . 3.65 708 683 A 54 VAL HGx% A 35 ILE HG1y 1.0 . 3.65 709 684 A 47 ALA HB% A 54 VAL HGx% 1.0 . 3.96 710 685 A 54 VAL HGx% A 35 ILE HB 1.0 . 4.08 711 686 A 54 VAL HGx% A 49 PRO HBy 1.0 . 5.02 712 687 A 54 VAL HGx% A 49 PRO HBx 1.0 . 5.07 713 688 A 54 VAL HGx% A 54 VAL HA 1.0 . 3.83 714 689 A 55 GLN HA A 58 MET HBy 1.0 . 4.32 715 690 A 37 PHE HEx A 54 VAL HA 1.0 . 4.90 716 691 A 37 PHE HZ A 54 VAL HA 1.0 . 3.98 717 692 A 57 ALA H A 54 VAL HA 1.0 . 3.91 718 693 A 54 VAL H A 54 VAL HB 1.0 . 3.22 719 694 A 51 GLU H A 54 VAL HB 1.0 . 4.25 720 695 A 54 VAL H A 54 VAL HGy% 1.0 . 3.20 721 696 A 37 PHE HEx A 54 VAL HGy% 1.0 . 4.72 722 697 A 54 VAL HGy% A 53 TRP HH2 1.0 . 5.31 723 698 A 53 TRP HZ2 A 54 VAL HGy% 1.0 . 5.36 724 699 A 54 VAL HGx% A 49 PRO HA 1.0 . 3.67 725 700 A 54 VAL HGx% A 37 PHE HEx 1.0 . 4.15 726 701 A 54 VAL HGx% A 37 PHE HZ 1.0 . 3.97 727 702 A 54 VAL HGx% A 51 GLU H 1.0 . 4.58 728 703 A 54 VAL HGx% A 58 MET H 1.0 . 5.50 729 704 A 54 VAL HGx% A 35 ILE H 1.0 . 5.50 730 705 A 53 TRP HD1 A 53 TRP HBy 1.0 . 3.46 731 706 A 54 VAL HGy% A 53 TRP HE1 1.0 . 5.27 732 707 A 48 ASN HBy A 9 TYR HBy 1.0 . 5.01 733 708 A 47 ALA HA A 9 TYR HBy 1.0 . 5.50 734 709 A 9 TYR HDx A 9 TYR HBy 1.0 . 3.20 735 710 A 9 TYR H A 9 TYR HBx 1.0 . 3.64 736 711 A 10 THR H A 9 TYR HBx 1.0 . 4.66 737 712 A 48 ASN H A 9 TYR HBy 1.0 . 4.32 738 713 A 47 ALA HB% A 10 THR HG2% 1.0 . 2.84 739 714 A 10 THR HG2% A 45 ILE HG2% 1.0 . 3.36 740 715 A 47 ALA HA A 10 THR HB 1.0 . 5.50 741 716 A 10 THR H A 10 THR HB 1.0 . 4.13 742 717 A 47 ALA HA A 10 THR HG2% 1.0 . 4.10 743 718 A 10 THR HG2% A 53 TRP HH2 1.0 . 3.73 744 719 A 53 TRP HZ2 A 10 THR HG2% 1.0 . 3.31 745 720 A 48 ASN H A 10 THR HG2% 1.0 . 4.47 746 721 A 10 THR H A 10 THR HG2% 1.0 . 2.99 747 722 A 37 PHE HA A 19 ILE HG2% 1.0 . 5.08 748 723 A 37 PHE HA A 35 ILE HG2% 1.0 . 5.49 749 724 A 37 PHE HBy A 45 ILE HB 1.0 . 4.00 750 725 A 37 PHE HBy A 39 THR HG2% 1.0 . 5.42 751 726 A 19 ILE HD1% A 37 PHE HBy 1.0 . 5.50 752 727 A 37 PHE HBx A 45 ILE HB 1.0 . 4.54 753 728 A 19 ILE HG1y A 37 PHE HBx 1.0 . 5.50 754 729 A 19 ILE HD1% A 37 PHE HBx 1.0 . 5.50 755 730 A 38 THR HA A 44 LYS HDx 1.0 . 4.91 756 731 A 38 THR HB A 20 LYS HGx 1.0 . 5.12 757 732 A 38 THR HA A 45 ILE HG1y 1.0 . 5.40 758 733 A 6 CYS HBx A 46 CYS HBx 1.0 . 4.70 759 734 A 6 CYS HBx A 32 ILE HG1x 1.0 . 4.25 760 734 A 6 CYS HBx A 32 ILE HG1y 1.0 . 4.25 761 735 A 22 TYR HDx A 37 PHE HA 1.0 . 5.50 762 736 A 37 PHE HDx A 37 PHE HA 1.0 . 3.79 763 737 A 38 THR H A 37 PHE HBy 1.0 . 5.50 764 738 A 6 CYS H A 5 CYS HBx 1.0 . 4.68 765 739 A 25 GLN HE2x A 5 CYS HBy 1.0 . 5.43 766 740 A 6 CYS H A 6 CYS HBy 1.0 . 3.51 767 741 A 6 CYS HBy A 34 ALA HB% 1.0 . 4.14 768 742 A 46 CYS HBy A 6 CYS HBy 1.0 . 4.08 769 743 A 46 CYS HBy A 6 CYS HBx 1.0 . 4.92 770 744 A 34 ALA H A 33 LYS HGx 1.0 . 5.50 771 745 A 22 TYR H A 21 SER HBy 1.0 . 4.06 772 746 A 22 TYR HA A 37 PHE HA 1.0 . 3.92 773 747 A 22 TYR HA A 22 TYR HDx 1.0 . 4.55 774 748 A 37 PHE HA A 22 TYR HBy 1.0 . 5.00 775 749 A 22 TYR HA A 61 LEU HDx% 1.0 . 5.50 776 750 A 61 LEU HDx% A 22 TYR HBy 1.0 . 5.40 777 751 A 36 ILE H A 22 TYR HBy 1.0 . 4.47 778 752 A 23 THR HG2% A 36 ILE HB 1.0 . 3.88 779 753 A 36 ILE HG2% A 23 THR HG2% 1.0 . 4.68 780 754 A 35 ILE HD1% A 23 THR HG2% 1.0 . 4.84 781 755 A 36 ILE HD1% A 23 THR HB 1.0 . 5.50 782 756 A 37 PHE HA A 22 TYR HBx 1.0 . 5.50 783 757 A 22 TYR HDx A 22 TYR HBx 1.0 . 3.51 784 758 A 37 PHE HDx A 22 TYR HBx 1.0 . 4.61 785 759 A 24 ILE H A 23 THR HA 1.0 . 3.40 786 760 A 23 THR H A 23 THR HB 1.0 . 3.75 787 761 A 24 ILE H A 23 THR HG2% 1.0 . 4.55 788 762 A 34 ALA HB% A 25 GLN HBy 1.0 . 3.80 789 763 A 23 THR HG2% A 25 GLN HBy 1.0 . 5.30 790 764 A 36 ILE HD1% A 25 GLN HBy 1.0 . 4.06 791 765 A 25 GLN HGx A 34 ALA HB% 1.0 . 5.47 792 766 A 24 ILE HG2% A 26 SER HBy 1.0 . 4.94 793 767 A 34 ALA H A 25 GLN HBy 1.0 . 4.18 794 768 A 25 GLN H A 25 GLN HBy 1.0 . 2.85 795 769 A 25 GLN HGx A 25 GLN HE2x 1.0 . 3.76 796 770 A 25 GLN HGx A 34 ALA H 1.0 . 5.50 797 771 A 25 GLN HGx A 30 CYS HBx 1.0 . 4.83 798 772 A 34 ALA HB% A 30 CYS HBx 1.0 . 5.50 799 773 A 30 CYS HBx A 32 ILE HG1x 1.0 . 5.50 800 773 A 32 ILE HG1y A 30 CYS HBx 1.0 . 5.50 801 774 A 30 CYS HBx A 5 CYS HA 1.0 . 5.49 802 775 A 30 CYS HA A 5 CYS HA 1.0 . 5.50 803 776 A 25 GLN HGx A 30 CYS HBy 1.0 . 4.53 804 777 A 32 ILE H A 30 CYS HBx 1.0 . 4.45 805 778 A 25 GLN HE2y A 30 CYS HBx 1.0 . 3.82 806 779 A 40 LYS HA A 38 THR HG2% 1.0 . 5.50 807 780 A 45 ILE H A 38 THR HA 1.0 . 5.50 808 781 A 21 SER H A 38 THR HB 1.0 . 3.47 809 782 A 38 THR HB A 39 THR H 1.0 . 5.50 810 783 A 42 GLY H A 38 THR HG2% 1.0 . 5.50 811 784 A 39 THR H A 38 THR HG2% 1.0 . 4.43 812 785 A 39 THR HA A 19 ILE HA 1.0 . 3.69 813 786 A 20 LYS H A 39 THR HA 1.0 . 3.04 814 787 A 21 SER H A 39 THR HA 1.0 . 4.68 815 788 A 39 THR HG2% A 45 ILE HG1x 1.0 . 4.16 816 789 A 19 ILE HA A 39 THR HG2% 1.0 . 5.29 817 790 A 43 ARG H A 39 THR HG2% 1.0 . 5.39 818 791 A 39 THR H A 39 THR HG2% 1.0 . 3.83 819 792 A 37 PHE HDx A 45 ILE HB 1.0 . 4.68 820 793 A 37 PHE HDx A 45 ILE HG2% 1.0 . 5.01 821 794 A 46 CYS H A 45 ILE HG2% 1.0 . 4.13 822 795 A 45 ILE H A 45 ILE HG2% 1.0 . 5.19 823 796 A 36 ILE HG1y A 46 CYS HA 1.0 . 5.11 824 797 A 36 ILE HD1% A 46 CYS HA 1.0 . 4.75 825 798 A 55 GLN HE2x A 50 ASN HA 1.0 . 3.88 826 799 A 48 ASN HD2x A 50 ASN HA 1.0 . 3.99 827 800 A 50 ASN H A 50 ASN HBy 1.0 . 3.12 828 801 A 50 ASN H A 50 ASN HBx 1.0 . 3.71 829 802 A 48 ASN HD2x A 50 ASN HBy 1.0 . 5.32 830 803 A 51 GLU H A 50 ASN HBy 1.0 . 5.45 831 804 A 51 GLU H A 50 ASN HBx 1.0 . 5.50 832 805 A 54 VAL HGy% A 51 GLU HBx 1.0 . 4.37 833 806 A 54 VAL HGy% A 51 GLU HGy 1.0 . 5.50 834 807 A 48 ASN HBx A 51 GLU HGy 1.0 . 4.63 835 808 A 48 ASN HBx A 51 GLU HGx 1.0 . 5.05 836 809 A 48 ASN HBx A 51 GLU HBx 1.0 . 5.50 837 810 A 47 ALA HB% A 51 GLU HBx 1.0 . 5.50 838 811 A 54 VAL HGy% A 51 GLU HGx 1.0 . 5.50 839 812 A 51 GLU H A 51 GLU HBx 1.0 . 3.58 840 813 A 53 TRP HD1 A 51 GLU HBx 1.0 . 3.37 841 814 A 51 GLU H A 51 GLU HGx 1.0 . 5.03 842 815 A 53 TRP HBy A 13 PRO HBy 1.0 . 5.50 843 816 A 53 TRP HBx A 56 LYS HBx 1.0 . 5.50 844 817 A 53 TRP HBx A 13 PRO HBy 1.0 . 5.34 845 818 A 16 LEU HDy% A 60 HIS HA 1.0 . 5.33 846 819 A 53 TRP HA A 53 TRP HE3 1.0 . 5.50 847 820 A 55 GLN H A 55 GLN HGy 1.0 . 3.56 848 821 A 55 GLN H A 55 GLN HGx 1.0 . 3.56 849 822 A 56 LYS H A 55 GLN HGx 1.0 . 5.50 850 823 A 56 LYS H A 55 GLN HGy 1.0 . 5.50 851 824 A 16 LEU HDy% A 60 HIS HBy 1.0 . 4.46 852 825 A 16 LEU HDy% A 60 HIS HBx 1.0 . 4.39 853 826 A 16 LEU HDx% A 60 HIS HBx 1.0 . 4.46 854 827 A 57 ALA HA A 60 HIS HBy 1.0 . 4.45 855 828 A 61 LEU H A 60 HIS HBy 1.0 . 4.74 856 829 A 48 ASN HA A 49 PRO HDy 1.0 . 3.71 857 830 A 34 ALA HB% A 48 ASN HA 1.0 . 5.50 858 831 A 48 ASN HA A 34 ALA HA 1.0 . 5.50 859 832 A 9 TYR HEx A 48 ASN HA 1.0 . 3.98 860 833 A 48 ASN HBy A 9 TYR HBx 1.0 . 5.02 861 834 A 9 TYR HBx A 48 ASN HBx 1.0 . 5.12 862 835 A 48 ASN HBx A 9 TYR HBy 1.0 . 4.84 863 836 A 48 ASN HBy A 51 GLU HGy 1.0 . 5.41 864 837 A 48 ASN HBx A 54 VAL HGy% 1.0 . 5.50 865 838 A 48 ASN HBy A 54 VAL HGy% 1.0 . 5.50 866 839 A 9 TYR HDx A 48 ASN HBx 1.0 . 5.50 867 840 A 51 GLU H A 48 ASN HBx 1.0 . 5.36 868 841 A 48 ASN HBy A 9 TYR HDx 1.0 . 4.00 869 842 A 48 ASN H A 48 ASN HBy 1.0 . 3.22 870 843 A 22 TYR H A 21 SER HBx 1.0 . 4.06 871 844 A 35 ILE HG2% A 24 ILE HG1x 1.0 . 5.50 872 845 A 35 ILE HG2% A 24 ILE HG1y 1.0 . 5.50 873 846 A 9 TYR HDx A 48 ASN HD2y 1.0 . 4.63 874 847 A 22 TYR HEx A 61 LEU H 1.0 . 5.02 875 848 A 9 TYR HEx A 48 ASN HD2x 1.0 . 4.68 876 849 A 9 TYR HEx A 48 ASN HD2y 1.0 . 5.31 877 850 A 22 TYR HA A 37 PHE HDx 1.0 . 4.60 878 851 A 47 ALA HA A 9 TYR HDx 1.0 . 4.17 879 852 A 9 TYR HDx A 34 ALA HA 1.0 . 3.81 880 853 A 49 PRO HDx A 9 TYR HDx 1.0 . 5.02 881 854 A 9 TYR HEx A 49 PRO HDx 1.0 . 4.08 882 855 A 54 VAL H A 53 TRP HD1 1.0 . 5.07 883 856 A 53 TRP HD1 A 53 TRP HA 1.0 . 4.49 884 857 A 47 ALA HA A 53 TRP HZ2 1.0 . 5.44 885 858 A 53 TRP HZ2 A 10 THR HB 1.0 . 5.45 886 859 A 37 PHE HDx A 22 TYR HBy 1.0 . 4.26 887 860 A 9 TYR HDx A 51 GLU HGx 1.0 . 5.50 888 861 A 22 TYR HDx A 61 LEU HBx 1.0 . 3.85 889 862 A 37 PHE HDx A 37 PHE HBy 1.0 . 3.44 890 863 A 47 ALA HB% A 37 PHE HDx 1.0 . 3.75 891 864 A 54 VAL HGx% A 37 PHE HDx 1.0 . 5.06 892 865 A 37 PHE HDx A 35 ILE HG2% 1.0 . 4.69 893 866 A 37 PHE HDx A 54 VAL HGy% 1.0 . 4.90 894 867 A 37 PHE HZ A 57 ALA HB% 1.0 . 3.76 895 868 A 35 ILE HG2% A 37 PHE HZ 1.0 . 4.69 896 869 A 54 VAL HGy% A 37 PHE HZ 1.0 . 5.02 897 870 A 22 TYR HBx A 37 PHE HEx 1.0 . 4.56 898 871 A 22 TYR HBy A 37 PHE HEx 1.0 . 5.33 899 872 A 37 PHE HEx A 58 MET HGx 1.0 . 5.29 900 873 A 37 PHE HEx A 54 VAL HB 1.0 . 5.31 901 874 A 37 PHE HEx A 57 ALA HB% 1.0 . 4.04 902 875 A 37 PHE HEx A 35 ILE HG1x 1.0 . 4.37 903 875 A 35 ILE HG1y A 37 PHE HEx 1.0 . 4.37 904 876 A 35 ILE HD1% A 37 PHE HEx 1.0 . 5.23 905 877 A 35 ILE HG2% A 37 PHE HEx 1.0 . 4.70 906 878 A 9 TYR HDx A 49 PRO HDy 1.0 . 5.29 907 879 A 34 ALA HB% A 9 TYR HDx 1.0 . 3.76 908 880 A 32 ILE HD1% A 9 TYR HDx 1.0 . 4.45 909 881 A 9 TYR HDx A 54 VAL HGy% 1.0 . 5.47 910 882 A 22 TYR HDx A 58 MET HA 1.0 . 4.17 911 883 A 22 TYR HDx A 22 TYR HBy 1.0 . 3.49 912 884 A 22 TYR HDx A 57 ALA HB% 1.0 . 4.23 913 885 A 22 TYR HDx A 58 MET HGy 1.0 . 4.01 914 886 A 60 HIS HD2 A 60 HIS HBx 1.0 . 3.89 915 887 A 16 LEU HG A 60 HIS HD2 1.0 . 4.79 916 888 A 60 HIS HD2 A 57 ALA HB% 1.0 . 4.97 917 889 A 16 LEU HBy A 60 HIS HD2 1.0 . 5.01 918 890 A 16 LEU HDy% A 60 HIS HD2 1.0 . 4.23 919 891 A 22 TYR HEx A 58 MET HA 1.0 . 3.99 920 892 A 22 TYR HBx A 22 TYR HEx 1.0 . 4.88 921 893 A 61 LEU HBx A 22 TYR HEx 1.0 . 3.91 922 894 A 61 LEU HDx% A 22 TYR HEx 1.0 . 3.62 923 895 A 22 TYR HEx A 58 MET HGy 1.0 . 4.19 924 896 A 35 ILE HG2% A 22 TYR HEx 1.0 . 4.42 925 897 A 9 TYR HEx A 32 ILE HG1x 1.0 . 4.99 926 897 A 32 ILE HG1y A 9 TYR HEx 1.0 . 4.99 927 898 A 48 ASN HBy A 9 TYR HEx 1.0 . 4.59 928 899 A 9 TYR HEx A 49 PRO HDy 1.0 . 4.72 929 900 A 53 TRP HD1 A 13 PRO HBy 1.0 . 4.63 930 901 A 53 TRP HD1 A 51 GLU HBy 1.0 . 3.96 931 902 A 53 TRP HD1 A 13 PRO HA 1.0 . 4.90 932 903 A 53 TRP HD1 A 51 GLU HGy 1.0 . 4.58 933 904 A 53 TRP HD1 A 51 GLU HGx 1.0 . 4.76 934 905 A 53 TRP HBx A 53 TRP HE3 1.0 . 4.19 935 906 A 19 ILE HD1% A 53 TRP HE3 1.0 . 4.67 936 907 A 53 TRP HZ2 A 45 ILE HG2% 1.0 . 4.87 937 908 A 13 PRO HA A 53 TRP HH2 1.0 . 4.65 938 909 A 45 ILE HG2% A 53 TRP HH2 1.0 . 4.05 939 910 A 5 CYS HBy A 7 LEU HDx% 1.0 . 4.77 940 910 A 5 CYS HBy A 7 LEU HDy% 1.0 . 4.77 941 911 A 5 CYS HBx A 7 LEU HDx% 1.0 . 4.59 942 911 A 5 CYS HBx A 7 LEU HDy% 1.0 . 4.59 943 912 A 7 LEU HA A 7 LEU HDx% 1.0 . 3.53 944 912 A 7 LEU HA A 7 LEU HDy% 1.0 . 3.53 945 913 A 7 LEU HBy A 31 ASN HD2y 1.0 . 5.18 946 913 A 7 LEU HBx A 31 ASN HD2y 1.0 . 5.18 947 913 A 31 ASN HD2x A 7 LEU HBx 1.0 . 5.18 948 913 A 7 LEU HBy A 31 ASN HD2x 1.0 . 5.18 949 914 A 32 ILE HD1% A 7 LEU HBx 1.0 . 5.28 950 914 A 32 ILE HD1% A 7 LEU HBy 1.0 . 5.28 951 915 A 7 LEU HDy% A 31 ASN HD2y 1.0 . 4.32 952 915 A 31 ASN HD2x A 7 LEU HDx% 1.0 . 4.32 953 915 A 7 LEU HDy% A 31 ASN HD2x 1.0 . 4.32 954 915 A 7 LEU HDx% A 31 ASN HD2y 1.0 . 4.32 955 916 A 32 ILE HD1% A 7 LEU HDx% 1.0 . 4.52 956 916 A 32 ILE HD1% A 7 LEU HDy% 1.0 . 4.52 957 917 A 8 LYS H A 8 LYS HGx 1.0 . 3.87 958 917 A 8 LYS H A 8 LYS HGy 1.0 . 3.87 959 918 A 8 LYS HBy A 8 LYS HEx 1.0 . 3.30 960 918 A 8 LYS HBy A 8 LYS HEy 1.0 . 3.30 961 919 A 8 LYS HBx A 8 LYS HEx 1.0 . 3.67 962 919 A 8 LYS HBx A 8 LYS HEy 1.0 . 3.67 963 920 A 8 LYS HEx A 8 LYS HGx 1.0 . 3.24 964 920 A 8 LYS HEy A 8 LYS HGx 1.0 . 3.24 965 920 A 8 LYS HGy A 8 LYS HEx 1.0 . 3.24 966 920 A 8 LYS HGy A 8 LYS HEy 1.0 . 3.24 967 921 A 11 LYS HA A 11 LYS HGy 1.0 . 3.71 968 921 A 11 LYS HA A 11 LYS HGx 1.0 . 3.71 969 922 A 11 LYS HA A 11 LYS HDx 1.0 . 5.34 970 922 A 11 LYS HA A 11 LYS HDy 1.0 . 5.34 971 923 A 11 LYS HBy A 11 LYS HEx 1.0 . 4.82 972 923 A 11 LYS HBx A 11 LYS HEx 1.0 . 4.82 973 923 A 11 LYS HEy A 11 LYS HBy 1.0 . 4.82 974 923 A 11 LYS HBx A 11 LYS HEy 1.0 . 4.82 975 924 A 12 ARG H A 12 ARG HDx 1.0 . 4.77 976 924 A 12 ARG H A 12 ARG HDy 1.0 . 4.77 977 925 A 12 ARG HBy A 12 ARG HGx 1.0 . 2.50 978 925 A 12 ARG HBy A 12 ARG HGy 1.0 . 2.50 979 926 A 14 LEU HA A 12 ARG HGx 1.0 . 4.57 980 926 A 14 LEU HA A 12 ARG HGy 1.0 . 4.57 981 927 A 53 TRP HD1 A 13 PRO HGy 1.0 . 5.26 982 927 A 53 TRP HD1 A 13 PRO HGx 1.0 . 5.26 983 928 A 14 LEU HA A 14 LEU HDy% 1.0 . 3.96 984 928 A 14 LEU HA A 14 LEU HDx% 1.0 . 3.96 985 929 A 14 LEU HA A 15 PRO HGx 1.0 . 4.90 986 929 A 14 LEU HA A 15 PRO HGy 1.0 . 4.90 987 930 A 19 ILE HG2% A 14 LEU HBy 1.0 . 4.55 988 930 A 19 ILE HG2% A 14 LEU HBx 1.0 . 4.55 989 931 A 37 PHE HBx A 14 LEU HBy 1.0 . 5.09 990 931 A 37 PHE HBx A 14 LEU HBx 1.0 . 5.09 991 932 A 15 PRO HDy A 14 LEU HDy% 1.0 . 4.47 992 932 A 15 PRO HDy A 14 LEU HDx% 1.0 . 4.47 993 933 A 18 ARG H A 14 LEU HDy% 1.0 . 5.08 994 933 A 18 ARG H A 14 LEU HDx% 1.0 . 5.08 995 934 A 18 ARG HBy A 14 LEU HDy% 1.0 . 5.03 996 934 A 18 ARG HBy A 14 LEU HDx% 1.0 . 5.03 997 935 A 18 ARG HBx A 14 LEU HDy% 1.0 . 5.10 998 935 A 18 ARG HBx A 14 LEU HDx% 1.0 . 5.10 999 936 A 19 ILE H A 14 LEU HDy% 1.0 . 5.15 1000 936 A 19 ILE H A 14 LEU HDx% 1.0 . 5.15 1001 937 A 19 ILE HG2% A 14 LEU HDy% 1.0 . 3.50 1002 937 A 19 ILE HG2% A 14 LEU HDx% 1.0 . 3.50 1003 938 A 19 ILE HG1y A 14 LEU HDy% 1.0 . 3.89 1004 938 A 19 ILE HG1y A 14 LEU HDx% 1.0 . 3.89 1005 939 A 19 ILE HG1x A 14 LEU HDy% 1.0 . 5.25 1006 939 A 19 ILE HG1x A 14 LEU HDx% 1.0 . 5.25 1007 940 A 19 ILE HD1% A 14 LEU HDy% 1.0 . 4.06 1008 940 A 19 ILE HD1% A 14 LEU HDx% 1.0 . 4.06 1009 941 A 20 LYS H A 14 LEU HDy% 1.0 . 5.44 1010 941 A 20 LYS H A 14 LEU HDx% 1.0 . 5.44 1011 942 A 37 PHE HBy A 14 LEU HDy% 1.0 . 4.74 1012 942 A 37 PHE HBy A 14 LEU HDx% 1.0 . 4.74 1013 943 A 37 PHE HBx A 14 LEU HDy% 1.0 . 4.95 1014 943 A 37 PHE HBx A 14 LEU HDx% 1.0 . 4.95 1015 944 A 37 PHE HDx A 14 LEU HDy% 1.0 . 5.44 1016 944 A 37 PHE HDx A 14 LEU HDx% 1.0 . 5.44 1017 945 A 39 THR H A 14 LEU HDy% 1.0 . 5.23 1018 945 A 39 THR H A 14 LEU HDx% 1.0 . 5.23 1019 946 A 45 ILE HB A 14 LEU HDy% 1.0 . 4.20 1020 946 A 45 ILE HB A 14 LEU HDx% 1.0 . 4.20 1021 947 A 45 ILE HG2% A 14 LEU HDy% 1.0 . 3.62 1022 947 A 45 ILE HG2% A 14 LEU HDx% 1.0 . 3.62 1023 948 A 45 ILE HG1x A 14 LEU HDy% 1.0 . 4.26 1024 948 A 45 ILE HG1x A 14 LEU HDx% 1.0 . 4.26 1025 949 A 45 ILE HG1y A 14 LEU HDy% 1.0 . 4.46 1026 949 A 45 ILE HG1y A 14 LEU HDx% 1.0 . 4.46 1027 950 A 45 ILE HD1% A 14 LEU HDy% 1.0 . 2.37 1028 950 A 45 ILE HD1% A 14 LEU HDx% 1.0 . 2.37 1029 951 A 53 TRP HZ3 A 14 LEU HDy% 1.0 . 5.35 1030 951 A 53 TRP HZ3 A 14 LEU HDx% 1.0 . 5.35 1031 952 A 53 TRP HH2 A 14 LEU HDy% 1.0 . 4.18 1032 952 A 53 TRP HH2 A 14 LEU HDx% 1.0 . 4.18 1033 953 A 15 PRO HBx A 17 LYS HGx 1.0 . 5.17 1034 953 A 15 PRO HBx A 17 LYS HGy 1.0 . 5.17 1035 954 A 18 ARG H A 15 PRO HGx 1.0 . 5.35 1036 954 A 18 ARG H A 15 PRO HGy 1.0 . 5.35 1037 955 A 17 LYS H A 17 LYS HGx 1.0 . 3.27 1038 955 A 17 LYS H A 17 LYS HGy 1.0 . 3.27 1039 956 A 17 LYS HA A 17 LYS HDx 1.0 . 4.51 1040 956 A 17 LYS HA A 17 LYS HDy 1.0 . 4.51 1041 957 A 17 LYS HA A 17 LYS HEx 1.0 . 4.99 1042 957 A 17 LYS HA A 17 LYS HEy 1.0 . 4.99 1043 958 A 17 LYS HBx A 17 LYS HEx 1.0 . 5.34 1044 958 A 17 LYS HBx A 17 LYS HEy 1.0 . 5.34 1045 959 A 18 ARG H A 18 ARG HDx 1.0 . 4.73 1046 959 A 18 ARG H A 18 ARG HDy 1.0 . 4.73 1047 960 A 18 ARG HA A 18 ARG HGx 1.0 . 3.65 1048 960 A 18 ARG HA A 18 ARG HGy 1.0 . 3.65 1049 961 A 18 ARG HA A 18 ARG HDx 1.0 . 4.27 1050 961 A 18 ARG HA A 18 ARG HDy 1.0 . 4.27 1051 962 A 18 ARG HBy A 18 ARG HGx 1.0 . 2.31 1052 962 A 18 ARG HBy A 18 ARG HGy 1.0 . 2.31 1053 963 A 19 ILE H A 40 LYS HEy 1.0 . 4.54 1054 963 A 19 ILE H A 40 LYS HEx 1.0 . 4.54 1055 964 A 20 LYS H A 20 LYS HEx 1.0 . 5.00 1056 964 A 20 LYS H A 20 LYS HEy 1.0 . 5.00 1057 965 A 20 LYS H A 40 LYS HEy 1.0 . 5.04 1058 965 A 20 LYS H A 40 LYS HEx 1.0 . 5.04 1059 966 A 20 LYS HA A 20 LYS HEx 1.0 . 4.18 1060 966 A 20 LYS HA A 20 LYS HEy 1.0 . 4.18 1061 967 A 20 LYS HA A 40 LYS HEy 1.0 . 5.13 1062 967 A 20 LYS HA A 40 LYS HEx 1.0 . 5.13 1063 968 A 20 LYS HBx A 20 LYS HEx 1.0 . 5.34 1064 968 A 20 LYS HBx A 20 LYS HEy 1.0 . 5.34 1065 969 A 20 LYS HBy A 20 LYS HEx 1.0 . 3.65 1066 969 A 20 LYS HBy A 20 LYS HEy 1.0 . 3.65 1067 970 A 20 LYS HDx A 40 LYS HEy 1.0 . 4.03 1068 970 A 20 LYS HDx A 40 LYS HEx 1.0 . 4.03 1069 971 A 40 LYS HA A 20 LYS HEx 1.0 . 5.34 1070 971 A 40 LYS HA A 20 LYS HEy 1.0 . 5.34 1071 972 A 40 LYS HGx A 20 LYS HEx 1.0 . 4.10 1072 972 A 40 LYS HGx A 20 LYS HEy 1.0 . 4.10 1073 973 A 40 LYS HDy A 20 LYS HEx 1.0 . 4.06 1074 973 A 40 LYS HDy A 20 LYS HEy 1.0 . 4.06 1075 974 A 21 SER H A 21 SER HBy 1.0 . 3.69 1076 974 A 21 SER H A 21 SER HBx 1.0 . 3.69 1077 975 A 22 TYR H A 21 SER HBy 1.0 . 3.30 1078 975 A 22 TYR H A 21 SER HBx 1.0 . 3.30 1079 976 A 24 ILE H A 24 ILE HG1x 1.0 . 3.01 1080 976 A 24 ILE H A 24 ILE HG1y 1.0 . 3.01 1081 977 A 24 ILE HG2% A 24 ILE HG1x 1.0 . 3.40 1082 977 A 24 ILE HG2% A 24 ILE HG1y 1.0 . 3.40 1083 978 A 35 ILE HD1% A 24 ILE HG1x 1.0 . 3.92 1084 978 A 35 ILE HD1% A 24 ILE HG1y 1.0 . 3.92 1085 979 A 28 GLU H A 26 SER HBy 1.0 . 4.59 1086 979 A 26 SER HBx A 28 GLU H 1.0 . 4.59 1087 980 A 29 ALA HB% A 26 SER HBy 1.0 . 5.17 1088 980 A 29 ALA HB% A 26 SER HBx 1.0 . 5.17 1089 981 A 27 ASN H A 33 LYS HGx 1.0 . 4.61 1090 981 A 27 ASN H A 33 LYS HGy 1.0 . 4.61 1091 982 A 32 ILE H A 27 ASN HBy 1.0 . 5.34 1092 982 A 32 ILE H A 27 ASN HBx 1.0 . 5.34 1093 983 A 32 ILE HA A 27 ASN HBy 1.0 . 5.34 1094 983 A 32 ILE HA A 27 ASN HBx 1.0 . 5.34 1095 984 A 33 LYS H A 27 ASN HBy 1.0 . 4.09 1096 984 A 33 LYS H A 27 ASN HBx 1.0 . 4.09 1097 985 A 27 ASN HBx A 33 LYS HGx 1.0 . 5.18 1098 985 A 27 ASN HBy A 33 LYS HGx 1.0 . 5.18 1099 985 A 33 LYS HGy A 27 ASN HBy 1.0 . 5.18 1100 985 A 33 LYS HGy A 27 ASN HBx 1.0 . 5.18 1101 986 A 27 ASN HBx A 33 LYS HDx 1.0 . 4.66 1102 986 A 27 ASN HBy A 33 LYS HDx 1.0 . 4.66 1103 986 A 33 LYS HDy A 27 ASN HBy 1.0 . 4.66 1104 986 A 27 ASN HBx A 33 LYS HDy 1.0 . 4.66 1105 987 A 27 ASN HD2y A 33 LYS HBx 1.0 . 5.34 1106 987 A 27 ASN HD2y A 33 LYS HBy 1.0 . 5.34 1107 988 A 27 ASN HD2x A 33 LYS HBx 1.0 . 5.34 1108 988 A 27 ASN HD2x A 33 LYS HBy 1.0 . 5.34 1109 989 A 28 GLU H A 28 GLU HBx 1.0 . 3.14 1110 989 A 28 GLU H A 28 GLU HBy 1.0 . 3.14 1111 990 A 28 GLU H A 28 GLU HGx 1.0 . 3.81 1112 990 A 28 GLU H A 28 GLU HGy 1.0 . 3.81 1113 991 A 28 GLU HA A 28 GLU HGx 1.0 . 3.70 1114 991 A 28 GLU HGy A 28 GLU HA 1.0 . 3.70 1115 992 A 31 ASN H A 31 ASN HD2y 1.0 . 5.22 1116 992 A 31 ASN HD2x A 31 ASN H 1.0 . 5.22 1117 993 A 32 ILE HG2% A 31 ASN HBx 1.0 . 4.26 1118 993 A 32 ILE HG2% A 31 ASN HBy 1.0 . 4.26 1119 994 A 33 LYS H A 33 LYS HBx 1.0 . 3.08 1120 994 A 33 LYS H A 33 LYS HBy 1.0 . 3.08 1121 995 A 33 LYS H A 33 LYS HGx 1.0 . 4.18 1122 995 A 33 LYS H A 33 LYS HGy 1.0 . 4.18 1123 996 A 33 LYS HA A 33 LYS HEx 1.0 . 5.34 1124 996 A 33 LYS HA A 33 LYS HEy 1.0 . 5.34 1125 997 A 33 LYS HBy A 33 LYS HEx 1.0 . 5.18 1126 997 A 33 LYS HBx A 33 LYS HEx 1.0 . 5.18 1127 997 A 33 LYS HEy A 33 LYS HBx 1.0 . 5.18 1128 997 A 33 LYS HBy A 33 LYS HEy 1.0 . 5.18 1129 998 A 35 ILE H A 33 LYS HGx 1.0 . 4.03 1130 998 A 35 ILE H A 33 LYS HGy 1.0 . 4.03 1131 999 A 35 ILE HD1% A 33 LYS HGx 1.0 . 4.61 1132 999 A 35 ILE HD1% A 33 LYS HGy 1.0 . 4.61 1133 1000 A 49 PRO HDx A 33 LYS HGx 1.0 . 4.28 1134 1000 A 49 PRO HDx A 33 LYS HGy 1.0 . 4.28 1135 1001 A 35 ILE H A 33 LYS HEx 1.0 . 5.34 1136 1001 A 35 ILE H A 33 LYS HEy 1.0 . 5.34 1137 1002 A 49 PRO HBx A 33 LYS HEx 1.0 . 4.95 1138 1002 A 49 PRO HBx A 33 LYS HEy 1.0 . 4.95 1139 1003 A 36 ILE HG2% A 44 LYS HEx 1.0 . 4.55 1140 1003 A 36 ILE HG2% A 44 LYS HEy 1.0 . 4.55 1141 1004 A 38 THR HG2% A 43 ARG HBx 1.0 . 4.18 1142 1004 A 38 THR HG2% A 43 ARG HBy 1.0 . 4.18 1143 1005 A 39 THR H A 43 ARG HBx 1.0 . 4.21 1144 1005 A 39 THR H A 43 ARG HBy 1.0 . 4.21 1145 1006 A 39 THR HG2% A 43 ARG HBx 1.0 . 4.22 1146 1006 A 39 THR HG2% A 43 ARG HBy 1.0 . 4.22 1147 1007 A 40 LYS H A 40 LYS HEy 1.0 . 5.34 1148 1007 A 40 LYS H A 40 LYS HEx 1.0 . 5.34 1149 1008 A 41 LYS HA A 41 LYS HDx 1.0 . 4.86 1150 1008 A 41 LYS HA A 41 LYS HDy 1.0 . 4.86 1151 1009 A 41 LYS HA A 41 LYS HEx 1.0 . 5.34 1152 1009 A 41 LYS HA A 41 LYS HEy 1.0 . 5.34 1153 1010 A 41 LYS HBx A 41 LYS HEx 1.0 . 4.31 1154 1010 A 41 LYS HBx A 41 LYS HEy 1.0 . 4.31 1155 1011 A 41 LYS HBy A 41 LYS HEx 1.0 . 5.34 1156 1011 A 41 LYS HBy A 41 LYS HEy 1.0 . 5.34 1157 1012 A 41 LYS HGy A 41 LYS HEx 1.0 . 3.59 1158 1012 A 41 LYS HGy A 41 LYS HEy 1.0 . 3.59 1159 1013 A 43 ARG H A 43 ARG HBx 1.0 . 2.95 1160 1013 A 43 ARG H A 43 ARG HBy 1.0 . 2.95 1161 1014 A 43 ARG H A 43 ARG HGx 1.0 . 3.67 1162 1014 A 43 ARG H A 43 ARG HGy 1.0 . 3.67 1163 1015 A 43 ARG HA A 43 ARG HDx 1.0 . 4.83 1164 1015 A 43 ARG HA A 43 ARG HDy 1.0 . 4.83 1165 1016 A 43 ARG HBy A 43 ARG HDx 1.0 . 3.32 1166 1016 A 43 ARG HDy A 43 ARG HBx 1.0 . 3.32 1167 1016 A 43 ARG HBy A 43 ARG HDy 1.0 . 3.32 1168 1016 A 43 ARG HBx A 43 ARG HDx 1.0 . 3.32 1169 1017 A 45 ILE HG1y A 43 ARG HBx 1.0 . 4.18 1170 1017 A 45 ILE HG1y A 43 ARG HBy 1.0 . 4.18 1171 1018 A 45 ILE HD1% A 43 ARG HBx 1.0 . 4.71 1172 1018 A 45 ILE HD1% A 43 ARG HBy 1.0 . 4.71 1173 1019 A 45 ILE HD1% A 43 ARG HDx 1.0 . 5.33 1174 1019 A 45 ILE HD1% A 43 ARG HDy 1.0 . 5.33 1175 1020 A 44 LYS H A 44 LYS HEx 1.0 . 4.98 1176 1020 A 44 LYS H A 44 LYS HEy 1.0 . 4.98 1177 1021 A 52 LYS H A 52 LYS HBx 1.0 . 3.47 1178 1021 A 52 LYS H A 52 LYS HBy 1.0 . 3.47 1179 1022 A 52 LYS H A 55 GLN HGx 1.0 . 5.04 1180 1022 A 52 LYS H A 55 GLN HGy 1.0 . 5.04 1181 1023 A 52 LYS HA A 52 LYS HDx 1.0 . 4.52 1182 1023 A 52 LYS HA A 52 LYS HDy 1.0 . 4.52 1183 1024 A 52 LYS HA A 55 GLN HGx 1.0 . 4.77 1184 1024 A 52 LYS HA A 55 GLN HGy 1.0 . 4.77 1185 1025 A 52 LYS HBy A 52 LYS HEx 1.0 . 5.18 1186 1025 A 52 LYS HBx A 52 LYS HEx 1.0 . 5.18 1187 1025 A 52 LYS HEy A 52 LYS HBx 1.0 . 5.18 1188 1025 A 52 LYS HBy A 52 LYS HEy 1.0 . 5.18 1189 1026 A 52 LYS HDx A 52 LYS HGy 1.0 . 2.23 1190 1026 A 52 LYS HDy A 52 LYS HGy 1.0 . 2.23 1191 1026 A 52 LYS HGx A 52 LYS HDx 1.0 . 2.23 1192 1026 A 52 LYS HDy A 52 LYS HGx 1.0 . 2.23 1193 1027 A 52 LYS HEy A 52 LYS HGy 1.0 . 3.19 1194 1027 A 52 LYS HEx A 52 LYS HGy 1.0 . 3.19 1195 1027 A 52 LYS HGx A 52 LYS HEx 1.0 . 3.19 1196 1027 A 52 LYS HEy A 52 LYS HGx 1.0 . 3.19 1197 1028 A 55 GLN H A 55 GLN HGx 1.0 . 2.94 1198 1028 A 55 GLN H A 55 GLN HGy 1.0 . 2.94 1199 1029 A 56 LYS H A 56 LYS HGx 1.0 . 3.83 1200 1029 A 56 LYS H A 56 LYS HGy 1.0 . 3.83 1201 1030 A 56 LYS H A 56 LYS HDx 1.0 . 5.00 1202 1030 A 56 LYS H A 56 LYS HDy 1.0 . 5.00 1203 1031 A 56 LYS HA A 56 LYS HGx 1.0 . 3.47 1204 1031 A 56 LYS HGy A 56 LYS HA 1.0 . 3.47 1205 1032 A 56 LYS HA A 56 LYS HDx 1.0 . 3.97 1206 1032 A 56 LYS HDy A 56 LYS HA 1.0 . 3.97 1207 1033 A 56 LYS HA A 56 LYS HEx 1.0 . 5.34 1208 1033 A 56 LYS HA A 56 LYS HEy 1.0 . 5.34 1209 1034 A 56 LYS HBx A 56 LYS HDx 1.0 . 3.18 1210 1034 A 56 LYS HBx A 56 LYS HDy 1.0 . 3.18 1211 1035 A 56 LYS HBx A 56 LYS HEx 1.0 . 4.56 1212 1035 A 56 LYS HBx A 56 LYS HEy 1.0 . 4.56 1213 1036 A 56 LYS HEx A 56 LYS HGx 1.0 . 3.34 1214 1036 A 56 LYS HGy A 56 LYS HEx 1.0 . 3.34 1215 1036 A 56 LYS HGy A 56 LYS HEy 1.0 . 3.34 1216 1036 A 56 LYS HEy A 56 LYS HGx 1.0 . 3.34 1217 1037 A 59 LYS H A 59 LYS HBx 1.0 . 2.87 1218 1037 A 59 LYS H A 59 LYS HBy 1.0 . 2.87 1219 1038 A 59 LYS H A 59 LYS HGy 1.0 . 3.88 1220 1038 A 59 LYS H A 59 LYS HGx 1.0 . 3.88 1221 1039 A 59 LYS H A 62 ASP HBx 1.0 . 5.27 1222 1039 A 59 LYS H A 62 ASP HBy 1.0 . 5.27 1223 1040 A 59 LYS H A 63 LYS HEx 1.0 . 5.34 1224 1040 A 59 LYS H A 63 LYS HEy 1.0 . 5.34 1225 1041 A 59 LYS HA A 59 LYS HDx 1.0 . 4.52 1226 1041 A 59 LYS HA A 59 LYS HDy 1.0 . 4.52 1227 1042 A 59 LYS HA A 62 ASP HBx 1.0 . 4.04 1228 1042 A 59 LYS HA A 62 ASP HBy 1.0 . 4.04 1229 1043 A 60 HIS H A 59 LYS HBx 1.0 . 3.90 1230 1043 A 60 HIS H A 59 LYS HBy 1.0 . 3.90 1231 1044 A 59 LYS HBy A 63 LYS HEx 1.0 . 5.12 1232 1044 A 59 LYS HBx A 63 LYS HEx 1.0 . 5.12 1233 1044 A 63 LYS HEy A 59 LYS HBx 1.0 . 5.12 1234 1044 A 59 LYS HBy A 63 LYS HEy 1.0 . 5.12 1235 1045 A 59 LYS HDy A 59 LYS HGy 1.0 . 2.18 1236 1045 A 59 LYS HGx A 59 LYS HDx 1.0 . 2.18 1237 1045 A 59 LYS HGx A 59 LYS HDy 1.0 . 2.18 1238 1045 A 59 LYS HDx A 59 LYS HGy 1.0 . 2.18 1239 1046 A 59 LYS HEy A 59 LYS HGy 1.0 . 3.15 1240 1046 A 59 LYS HEx A 59 LYS HGy 1.0 . 3.15 1241 1046 A 59 LYS HGx A 59 LYS HEx 1.0 . 3.15 1242 1046 A 59 LYS HGx A 59 LYS HEy 1.0 . 3.15 1243 1047 A 60 HIS H A 62 ASP HBx 1.0 . 5.34 1244 1047 A 60 HIS H A 62 ASP HBy 1.0 . 5.34 1245 1048 A 60 HIS H A 63 LYS HEx 1.0 . 4.97 1246 1048 A 60 HIS H A 63 LYS HEy 1.0 . 4.97 1247 1049 A 61 LEU HA A 64 LYS HBy 1.0 . 4.72 1248 1049 A 61 LEU HA A 64 LYS HBx 1.0 . 4.72 1249 1050 A 64 LYS H A 62 ASP HBx 1.0 . 5.34 1250 1050 A 64 LYS H A 62 ASP HBy 1.0 . 5.34 1251 1051 A 63 LYS HA A 63 LYS HDx 1.0 . 4.64 1252 1051 A 63 LYS HA A 63 LYS HDy 1.0 . 4.64 1253 1052 A 63 LYS HBy A 63 LYS HDx 1.0 . 3.03 1254 1052 A 63 LYS HBy A 63 LYS HDy 1.0 . 3.03 1255 1053 A 64 LYS H A 64 LYS HBy 1.0 . 3.21 1256 1053 A 64 LYS H A 64 LYS HBx 1.0 . 3.21 stop_ save_ save_DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_4 _nef_distance_restraint_list.restraint_origin undefined _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 5 CYS SG A 30 CYS SG 1.0 . 2.1 2 2 A 5 CYS SG A 30 CYS CB 1.0 . 3.1 3 3 A 30 CYS SG A 5 CYS CB 1.0 . 3.1 4 4 A 6 CYS SG A 46 CYS SG 1.0 . 2.1 5 5 A 6 CYS SG A 46 CYS CB 1.0 . 3.1 6 6 A 46 CYS SG A 6 CYS CB 1.0 . 3.1 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 square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 4 SER C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -136.7 -116.7 PHI 2 2 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 CYS N 1.0 130.6 159.4 PSI 3 3 A 5 CYS C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -148.3 -119.2 PHI 4 4 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 LEU N 1.0 125.7 149.9 PSI 5 5 A 7 LEU C A 8 LYS N A 8 LYS CA A 8 LYS C 1.0 -136.4 -101.4 PHI 6 6 A 8 LYS N A 8 LYS CA A 8 LYS C A 9 TYR N 1.0 143.9 164.4 PSI 7 7 A 8 LYS C A 9 TYR N A 9 TYR CA A 9 TYR C 1.0 -126.7 -106.7 PHI 8 8 A 9 TYR N A 9 TYR CA A 9 TYR C A 10 THR N 1.0 132.0 157.9 PSI 9 9 A 9 TYR C A 10 THR N A 10 THR CA A 10 THR C 1.0 -99.2 -72.2 PHI 10 10 A 10 THR N A 10 THR CA A 10 THR C A 11 LYS N 1.0 98.8 146.5 PSI 11 11 A 10 THR C A 11 LYS N A 11 LYS CA A 11 LYS C 1.0 -114.3 -80.8 PHI 12 12 A 11 LYS N A 11 LYS CA A 11 LYS C A 12 ARG N 1.0 -31.5 -5.4 PSI 13 13 A 13 PRO N A 13 PRO CA A 13 PRO C A 14 LEU N 1.0 135.8 161.0 PSI 14 14 A 13 PRO C A 14 LEU N A 14 LEU CA A 14 LEU C 1.0 -133.1 -79.3 PHI 15 15 A 14 LEU N A 14 LEU CA A 14 LEU C A 15 PRO N 1.0 117.2 161.6 PSI 16 16 A 15 PRO N A 15 PRO CA A 15 PRO C A 16 LEU N 1.0 138.2 154.3 PSI 17 17 A 15 PRO C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -62.9 -39.6 PHI 18 18 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 LYS N 1.0 -51.9 -31.6 PSI 19 19 A 16 LEU C A 17 LYS N A 17 LYS CA A 17 LYS C 1.0 -80.3 -57.6 PHI 20 20 A 17 LYS N A 17 LYS CA A 17 LYS C A 18 ARG N 1.0 -35.8 -12.5 PSI 21 21 A 18 ARG N A 18 ARG CA A 18 ARG C A 19 ILE N 1.0 -27.1 9.3 PSI 22 22 A 18 ARG C A 19 ILE N A 19 ILE CA A 19 ILE C 1.0 -115.6 -50.8 PHI 23 23 A 19 ILE N A 19 ILE CA A 19 ILE C A 20 LYS N 1.0 121.7 163.8 PSI 24 24 A 19 ILE C A 20 LYS N A 20 LYS CA A 20 LYS C 1.0 -109.3 -77.2 PHI 25 25 A 20 LYS N A 20 LYS CA A 20 LYS C A 21 SER N 1.0 -46.8 -19.6 PSI 26 26 A 20 LYS C A 21 SER N A 21 SER CA A 21 SER C 1.0 -189.6 -123.2 PHI 27 27 A 21 SER N A 21 SER CA A 21 SER C A 22 TYR N 1.0 143.3 172.1 PSI 28 28 A 21 SER C A 22 TYR N A 22 TYR CA A 22 TYR C 1.0 -160.7 -130.3 PHI 29 29 A 22 TYR N A 22 TYR CA A 22 TYR C A 23 THR N 1.0 141.5 173.0 PSI 30 30 A 22 TYR C A 23 THR N A 23 THR CA A 23 THR C 1.0 -153.3 -119.7 PHI 31 31 A 23 THR N A 23 THR CA A 23 THR C A 24 ILE N 1.0 132.6 168.9 PSI 32 32 A 24 ILE C A 25 GLN N A 25 GLN CA A 25 GLN C 1.0 -129.2 -90.6 PHI 33 33 A 25 GLN N A 25 GLN CA A 25 GLN C A 26 SER N 1.0 118.9 140.2 PSI 34 34 A 25 GLN C A 26 SER N A 26 SER CA A 26 SER C 1.0 -109.4 -75.0 PHI 35 35 A 26 SER N A 26 SER CA A 26 SER C A 27 ASN N 1.0 128.2 159.5 PSI 36 36 A 27 ASN C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 -71.5 -51.5 PHI 37 37 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 ALA N 1.0 -46.0 -23.4 PSI 38 38 A 28 GLU C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -107.9 -77.2 PHI 39 39 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 CYS N 1.0 -27.0 5.6 PSI 40 40 A 29 ALA C A 30 CYS N A 30 CYS CA A 30 CYS C 1.0 -144.7 -104.7 PHI 41 41 A 30 CYS N A 30 CYS CA A 30 CYS C A 31 ASN N 1.0 147.9 169.0 PSI 42 42 A 31 ASN C A 32 ILE N A 32 ILE CA A 32 ILE C 1.0 -149.3 -107.8 PHI 43 43 A 32 ILE N A 32 ILE CA A 32 ILE C A 33 LYS N 1.0 134.6 179.1 PSI 44 44 A 32 ILE C A 33 LYS N A 33 LYS CA A 33 LYS C 1.0 -137.1 -97.7 PHI 45 45 A 33 LYS C A 34 ALA N A 34 ALA CA A 34 ALA C 1.0 -143.6 -117.7 PHI 46 46 A 35 ILE N A 35 ILE CA A 35 ILE C A 36 ILE N 1.0 114.1 139.3 PSI 47 47 A 35 ILE C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -104.7 -72.2 PHI 48 48 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 PHE N 1.0 112.5 135.5 PSI 49 49 A 36 ILE C A 37 PHE N A 37 PHE CA A 37 PHE C 1.0 -116.2 -78.2 PHI 50 50 A 37 PHE N A 37 PHE CA A 37 PHE C A 38 THR N 1.0 123.0 144.2 PSI 51 51 A 37 PHE C A 38 THR N A 38 THR CA A 38 THR C 1.0 -129.6 -99.3 PHI 52 52 A 38 THR N A 38 THR CA A 38 THR C A 39 THR N 1.0 112.5 139.0 PSI 53 53 A 38 THR C A 39 THR N A 39 THR CA A 39 THR C 1.0 -106.2 -72.7 PHI 54 54 A 39 THR N A 39 THR CA A 39 THR C A 40 LYS N 1.0 157.3 178.3 PSI 55 55 A 39 THR C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -73.4 -53.4 PHI 56 56 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 LYS N 1.0 -29.7 -7.8 PSI 57 57 A 40 LYS C A 41 LYS N A 41 LYS CA A 41 LYS C 1.0 -97.6 -77.6 PHI 58 58 A 41 LYS N A 41 LYS CA A 41 LYS C A 42 GLY N 1.0 -16.5 5.3 PSI 59 59 A 41 LYS C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 79.9 105.5 PHI 60 60 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 ARG N 1.0 -15.0 12.4 PSI 61 61 A 43 ARG C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -131.3 -80.6 PHI 62 62 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 ILE N 1.0 103.8 150.0 PSI 63 63 A 44 LYS C A 45 ILE N A 45 ILE CA A 45 ILE C 1.0 -126.3 -106.3 PHI 64 64 A 46 CYS C A 47 ALA N A 47 ALA CA A 47 ALA C 1.0 -138.7 -117.7 PHI 65 65 A 47 ALA N A 47 ALA CA A 47 ALA C A 48 ASN N 1.0 123.5 150.1 PSI 66 66 A 49 PRO N A 49 PRO CA A 49 PRO C A 50 ASN N 1.0 -37.4 -22.6 PSI 67 67 A 49 PRO C A 50 ASN N A 50 ASN CA A 50 ASN C 1.0 -99.1 -72.7 PHI 68 68 A 50 ASN N A 50 ASN CA A 50 ASN C A 51 GLU N 1.0 -26.5 2.8 PSI 69 69 A 50 ASN C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -143.5 -74.0 PHI 70 70 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 LYS N 1.0 66.9 131.0 PSI 71 71 A 51 GLU C A 52 LYS N A 52 LYS CA A 52 LYS C 1.0 -67.2 -47.2 PHI 72 72 A 52 LYS N A 52 LYS CA A 52 LYS C A 53 TRP N 1.0 -52.9 -32.9 PSI 73 73 A 52 LYS C A 53 TRP N A 53 TRP CA A 53 TRP C 1.0 -72.8 -52.8 PHI 74 74 A 53 TRP N A 53 TRP CA A 53 TRP C A 54 VAL N 1.0 -42.2 -22.2 PSI 75 75 A 53 TRP C A 54 VAL N A 54 VAL CA A 54 VAL C 1.0 -74.1 -54.1 PHI 76 76 A 54 VAL N A 54 VAL CA A 54 VAL C A 55 GLN N 1.0 -54.2 -34.2 PSI 77 77 A 54 VAL C A 55 GLN N A 55 GLN CA A 55 GLN C 1.0 -72.7 -52.7 PHI 78 78 A 55 GLN N A 55 GLN CA A 55 GLN C A 56 LYS N 1.0 -51.4 -31.4 PSI 79 79 A 55 GLN C A 56 LYS N A 56 LYS CA A 56 LYS C 1.0 -73.9 -53.9 PHI 80 80 A 56 LYS N A 56 LYS CA A 56 LYS C A 57 ALA N 1.0 -52.6 -32.6 PSI 81 81 A 56 LYS C A 57 ALA N A 57 ALA CA A 57 ALA C 1.0 -70.9 -50.9 PHI 82 82 A 57 ALA N A 57 ALA CA A 57 ALA C A 58 MET N 1.0 -54.1 -34.1 PSI 83 83 A 57 ALA C A 58 MET N A 58 MET CA A 58 MET C 1.0 -72.1 -52.1 PHI 84 84 A 58 MET N A 58 MET CA A 58 MET C A 59 LYS N 1.0 -55.8 -35.8 PSI 85 85 A 58 MET C A 59 LYS N A 59 LYS CA A 59 LYS C 1.0 -70.7 -50.7 PHI 86 86 A 59 LYS N A 59 LYS CA A 59 LYS C A 60 HIS N 1.0 -52.3 -32.3 PSI 87 87 A 59 LYS C A 60 HIS N A 60 HIS CA A 60 HIS C 1.0 -73.0 -53.0 PHI 88 88 A 60 HIS N A 60 HIS CA A 60 HIS C A 61 LEU N 1.0 -51.7 -31.7 PSI 89 89 A 60 HIS C A 61 LEU N A 61 LEU CA A 61 LEU C 1.0 -76.3 -56.3 PHI 90 90 A 61 LEU N A 61 LEU CA A 61 LEU C A 62 ASP N 1.0 -49.0 -24.7 PSI 91 91 A 61 LEU C A 62 ASP N A 62 ASP CA A 62 ASP C 1.0 -106.8 -73.6 PHI 92 92 A 62 ASP N A 62 ASP CA A 62 ASP C A 63 LYS N 1.0 -29.0 -2.0 PSI stop_ save_