data_nef_c16363_2kkj 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 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 1KBH PDB 1JJS PDB 2c52 PDB 1zoq 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 PRO start . false 2 A 2 ASN middle . . 3 A 3 ARG middle . . 4 A 4 SER middle . . 5 A 5 ILE middle . . 6 A 6 SER middle . . 7 A 7 PRO middle . false 8 A 8 SER middle . . 9 A 9 ALA middle . . 10 A 10 LEU middle . . 11 A 11 GLN middle . . 12 A 12 ASP middle . . 13 A 13 LEU middle . . 14 A 14 LEU middle . . 15 A 15 ARG middle . . 16 A 16 THR middle . . 17 A 17 LEU middle . . 18 A 18 LYS middle . . 19 A 19 SER middle . . 20 A 20 PRO middle . false 21 A 21 SER middle . . 22 A 22 SER middle . . 23 A 23 PRO middle . false 24 A 24 GLN middle . . 25 A 25 GLN middle . . 26 A 26 GLN middle . . 27 A 27 GLN middle . . 28 A 28 GLN middle . . 29 A 29 VAL middle . . 30 A 30 LEU middle . . 31 A 31 ASN middle . . 32 A 32 ILE middle . . 33 A 33 LEU middle . . 34 A 34 LYS middle . . 35 A 35 SER middle . . 36 A 36 ASN middle . . 37 A 37 PRO middle . false 38 A 38 GLN middle . . 39 A 39 LEU middle . . 40 A 40 MET middle . . 41 A 41 ALA middle . . 42 A 42 ALA middle . . 43 A 43 PHE middle . . 44 A 44 ILE middle . . 45 A 45 LYS middle . . 46 A 46 GLN middle . . 47 A 47 ARG middle . . 48 A 48 THR middle . . 49 A 49 ALA middle . . 50 A 50 LYS middle . . 51 A 51 TYR middle . . 52 A 52 VAL middle . . 53 A 53 ALA middle . . 54 A 54 ASN middle . . 55 A 55 GLN middle . . 56 A 56 PRO middle . false 57 A 57 GLY middle . false 58 A 58 MET middle . . 59 A 59 GLN end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 4 SER HA H 1 4.485 . A 4 SER HBx H 1 3.855 . A 4 SER HBy H 1 3.855 . A 4 SER C C 13 174.079 . A 4 SER CA C 13 58.354 . A 4 SER CB C 13 63.978 . A 5 ILE H H 1 8.145 . A 5 ILE HA H 1 4.208 . A 5 ILE HB H 1 1.797 . A 5 ILE HD1% H 1 0.790 . A 5 ILE HG1x H 1 1.107 . A 5 ILE HG1y H 1 1.455 . A 5 ILE HG2% H 1 0.859 . A 5 ILE C C 13 175.563 . A 5 ILE CA C 13 60.646 . A 5 ILE CB C 13 39.181 . A 5 ILE CD1 C 13 13.096 . A 5 ILE CG1 C 13 27.290 . A 5 ILE CG2 C 13 17.743 . A 5 ILE N N 15 122.241 . A 6 SER H H 1 8.424 . A 6 SER HBx H 1 4.024 . A 6 SER HBy H 1 4.029 . A 6 SER CA C 13 56.279 . A 6 SER CB C 13 63.434 . A 6 SER N N 15 122.242 . A 7 PRO HA H 1 4.371 . A 7 PRO HBx H 1 2.002 . A 7 PRO HBy H 1 2.372 . A 7 PRO HDx H 1 3.587 . A 7 PRO HDy H 1 3.822 . A 7 PRO HGx H 1 2.047 . A 7 PRO HGy H 1 2.047 . A 7 PRO C C 13 178.231 . A 7 PRO CA C 13 64.648 . A 7 PRO CB C 13 32.267 . A 7 PRO CD C 13 50.691 . A 7 PRO CG C 13 27.486 . A 8 SER H H 1 8.203 . A 8 SER HA H 1 4.337 . A 8 SER HBx H 1 3.861 . A 8 SER HBy H 1 3.971 . A 8 SER C C 13 175.403 . A 8 SER CA C 13 59.811 . A 8 SER CB C 13 63.209 . A 8 SER N N 15 114.190 . A 9 ALA H H 1 8.033 . A 9 ALA HA H 1 4.267 . A 9 ALA HB% H 1 1.448 . A 9 ALA C C 13 179.553 . A 9 ALA CA C 13 54.680 . A 9 ALA CB C 13 18.772 . A 9 ALA N N 15 125.871 . A 10 LEU H H 1 8.076 . A 10 LEU HA H 1 4.037 . A 10 LEU HBx H 1 1.565 . A 10 LEU HBy H 1 1.769 . A 10 LEU HDx% H 1 0.908 . A 10 LEU HDy% H 1 0.908 . A 10 LEU HG H 1 1.592 . A 10 LEU C C 13 178.210 . A 10 LEU CA C 13 57.900 . A 10 LEU CB C 13 41.543 . A 10 LEU CDy C 13 25.172 . A 10 LEU CDx C 13 23.881 . A 10 LEU CG C 13 26.956 . A 10 LEU N N 15 118.686 . A 11 GLN H H 1 7.976 . A 11 GLN HA H 1 3.951 . A 11 GLN HBx H 1 2.140 . A 11 GLN HBy H 1 2.147 . A 11 GLN HGx H 1 2.422 . A 11 GLN HGy H 1 2.422 . A 11 GLN C C 13 178.566 . A 11 GLN CA C 13 59.113 . A 11 GLN CB C 13 28.186 . A 11 GLN CG C 13 33.906 . A 11 GLN N N 15 117.449 . A 12 ASP H H 1 8.092 . A 12 ASP HA H 1 4.419 . A 12 ASP HBx H 1 2.650 . A 12 ASP HBy H 1 2.790 . A 12 ASP C C 13 178.862 . A 12 ASP CA C 13 57.299 . A 12 ASP CB C 13 40.554 . A 12 ASP N N 15 120.115 . A 13 LEU H H 1 8.172 . A 13 LEU HA H 1 4.031 . A 13 LEU HBx H 1 1.739 . A 13 LEU HBy H 1 1.934 . A 13 LEU HDx% H 1 0.847 . A 13 LEU HDy% H 1 0.847 . A 13 LEU HG H 1 1.628 . A 13 LEU C C 13 178.572 . A 13 LEU CA C 13 58.291 . A 13 LEU CB C 13 41.737 . A 13 LEU CDx C 13 24.527 . A 13 LEU CDy C 13 25.509 . A 13 LEU CG C 13 27.072 . A 13 LEU N N 15 122.592 . A 14 LEU H H 1 8.406 . A 14 LEU HA H 1 3.962 . A 14 LEU HBx H 1 1.519 . A 14 LEU HBy H 1 1.848 . A 14 LEU HDx% H 1 0.845 . A 14 LEU HDy% H 1 0.845 . A 14 LEU HG H 1 1.828 . A 14 LEU C C 13 179.281 . A 14 LEU CA C 13 58.131 . A 14 LEU CB C 13 41.202 . A 14 LEU CDy C 13 25.240 . A 14 LEU CDx C 13 22.884 . A 14 LEU CG C 13 26.674 . A 14 LEU N N 15 118.564 . A 15 ARG H H 1 8.020 . A 15 ARG HA H 1 4.025 . A 15 ARG HBx H 1 1.963 . A 15 ARG HBy H 1 1.964 . A 15 ARG HDx H 1 3.229 . A 15 ARG HDy H 1 3.230 . A 15 ARG HGx H 1 1.616 . A 15 ARG HGy H 1 1.766 . A 15 ARG C C 13 178.998 . A 15 ARG CA C 13 59.369 . A 15 ARG CB C 13 30.210 . A 15 ARG CD C 13 43.130 . A 15 ARG CG C 13 27.505 . A 15 ARG N N 15 118.339 . A 16 THR H H 1 7.899 . A 16 THR HA H 1 4.038 . A 16 THR HB H 1 4.304 . A 16 THR HG2% H 1 1.264 . A 16 THR C C 13 176.202 . A 16 THR CA C 13 65.839 . A 16 THR CB C 13 68.909 . A 16 THR CG2 C 13 22.438 . A 16 THR N N 15 115.392 . A 17 LEU H H 1 8.071 . A 17 LEU HA H 1 4.087 . A 17 LEU HBx H 1 1.591 . A 17 LEU HBy H 1 1.834 . A 17 LEU HDx% H 1 0.825 . A 17 LEU HDy% H 1 0.825 . A 17 LEU HG H 1 1.817 . A 17 LEU C C 13 177.172 . A 17 LEU CA C 13 56.711 . A 17 LEU CB C 13 41.983 . A 17 LEU CDx C 13 23.529 . A 17 LEU CDy C 13 25.773 . A 17 LEU CG C 13 26.707 . A 17 LEU N N 15 121.323 . A 18 LYS H H 1 7.575 . A 18 LYS HA H 1 4.262 . A 18 LYS HBx H 1 1.851 . A 18 LYS HBy H 1 1.947 . A 18 LYS HDx H 1 1.653 . A 18 LYS HDy H 1 1.656 . A 18 LYS HEx H 1 2.948 . A 18 LYS HEy H 1 2.949 . A 18 LYS HGx H 1 1.450 . A 18 LYS HGy H 1 1.574 . A 18 LYS C C 13 176.743 . A 18 LYS CA C 13 56.837 . A 18 LYS CB C 13 33.087 . A 18 LYS CD C 13 29.329 . A 18 LYS CE C 13 41.931 . A 18 LYS CG C 13 25.160 . A 18 LYS N N 15 117.460 . A 19 SER H H 1 7.644 . A 19 SER HA H 1 3.926 . A 19 SER CA C 13 57.069 . A 19 SER CB C 13 63.212 . A 19 SER N N 15 116.345 . A 20 PRO HA H 1 4.456 . A 20 PRO HBx H 1 1.894 . A 20 PRO HBy H 1 2.302 . A 20 PRO HGx H 1 1.929 . A 20 PRO HGy H 1 2.064 . A 20 PRO C C 13 176.918 . A 20 PRO CA C 13 63.393 . A 20 PRO CB C 13 32.046 . A 20 PRO CG C 13 27.667 . A 21 SER H H 1 8.434 . A 21 SER HA H 1 4.401 . A 21 SER HBx H 1 3.861 . A 21 SER HBy H 1 3.881 . A 21 SER CA C 13 58.926 . A 21 SER CB C 13 63.809 . A 21 SER N N 15 116.335 . A 23 PRO HA H 1 4.387 . A 23 PRO HBx H 1 1.956 . A 23 PRO HBy H 1 2.454 . A 23 PRO HGx H 1 1.653 . A 23 PRO HGy H 1 1.653 . A 23 PRO C C 13 178.939 . A 23 PRO CA C 13 65.418 . A 23 PRO CB C 13 31.886 . A 23 PRO CG C 13 27.919 . A 24 GLN H H 1 8.303 . A 24 GLN HA H 1 4.135 . A 24 GLN HBx H 1 2.467 . A 24 GLN HBy H 1 2.467 . A 24 GLN C C 13 178.117 . A 24 GLN CA C 13 59.097 . A 24 GLN CB C 13 28.196 . A 24 GLN CG C 13 34.237 . A 24 GLN N N 15 117.253 . A 25 GLN H H 1 7.966 . A 25 GLN HA H 1 4.100 . A 25 GLN HBx H 1 2.247 . A 25 GLN HBy H 1 2.247 . A 25 GLN HGx H 1 2.461 . A 25 GLN HGy H 1 2.461 . A 25 GLN C C 13 178.001 . A 25 GLN CA C 13 59.022 . A 25 GLN CB C 13 28.324 . A 25 GLN CG C 13 33.661 . A 25 GLN N N 15 122.143 . A 26 GLN H H 1 8.226 . A 26 GLN HA H 1 3.830 . A 26 GLN HBx H 1 2.298 . A 26 GLN HBy H 1 2.298 . A 26 GLN HGx H 1 2.495 . A 26 GLN HGy H 1 2.495 . A 26 GLN C C 13 177.975 . A 26 GLN CA C 13 59.130 . A 26 GLN CB C 13 28.452 . A 26 GLN CG C 13 34.282 . A 26 GLN N N 15 118.781 . A 27 GLN H H 1 8.016 . A 27 GLN HA H 1 3.983 . A 27 GLN C C 13 177.851 . A 27 GLN CA C 13 58.403 . A 27 GLN CB C 13 28.483 . A 27 GLN CG C 13 33.923 . A 27 GLN N N 15 118.129 . A 28 GLN H H 1 7.965 . A 28 GLN HA H 1 4.127 . A 28 GLN C C 13 178.686 . A 28 GLN CA C 13 58.992 . A 28 GLN CB C 13 28.486 . A 28 GLN N N 15 119.386 . A 29 VAL H H 1 7.983 . A 29 VAL HA H 1 3.513 . A 29 VAL HB H 1 2.152 . A 29 VAL HGx% H 1 0.749 . A 29 VAL HGy% H 1 0.987 . A 29 VAL C C 13 177.391 . A 29 VAL CA C 13 66.892 . A 29 VAL CB C 13 31.491 . A 29 VAL CGx C 13 21.579 . A 29 VAL CGy C 13 23.351 . A 29 VAL N N 15 119.339 . A 30 LEU H H 1 7.973 . A 30 LEU HA H 1 3.883 . A 30 LEU HBx H 1 1.556 . A 30 LEU HBy H 1 1.802 . A 30 LEU HDx% H 1 0.866 . A 30 LEU HDy% H 1 0.866 . A 30 LEU HG H 1 1.707 . A 30 LEU C C 13 178.750 . A 30 LEU CA C 13 58.212 . A 30 LEU CB C 13 41.305 . A 30 LEU CG C 13 27.069 . A 30 LEU N N 15 119.408 . A 31 ASN H H 1 8.247 . A 31 ASN HA H 1 4.411 . A 31 ASN HBx H 1 2.835 . A 31 ASN HBy H 1 2.921 . A 31 ASN C C 13 178.311 . A 31 ASN CA C 13 55.819 . A 31 ASN CB C 13 37.945 . A 31 ASN N N 15 117.288 . A 32 ILE H H 1 7.946 . A 32 ILE HA H 1 3.758 . A 32 ILE HB H 1 1.942 . A 32 ILE HD1% H 1 0.776 . A 32 ILE HG1x H 1 1.082 . A 32 ILE HG1y H 1 1.818 . A 32 ILE HG2% H 1 0.854 . A 32 ILE C C 13 178.620 . A 32 ILE CA C 13 65.147 . A 32 ILE CB C 13 38.137 . A 32 ILE CD1 C 13 14.080 . A 32 ILE CG1 C 13 28.994 . A 32 ILE CG2 C 13 17.736 . A 32 ILE N N 15 122.111 . A 33 LEU H H 1 8.094 . A 33 LEU HA H 1 3.930 . A 33 LEU HBx H 1 1.414 . A 33 LEU HBy H 1 1.799 . A 33 LEU HDx% H 1 0.529 . A 33 LEU HDy% H 1 0.618 . A 33 LEU HG H 1 1.751 . A 33 LEU C C 13 178.479 . A 33 LEU CA C 13 57.876 . A 33 LEU CB C 13 41.432 . A 33 LEU CDy C 13 25.343 . A 33 LEU CDx C 13 22.482 . A 33 LEU CG C 13 26.641 . A 33 LEU N N 15 120.046 . A 34 LYS H H 1 8.235 . A 34 LYS HA H 1 3.995 . A 34 LYS HBx H 1 1.875 . A 34 LYS HBy H 1 1.883 . A 34 LYS HDx H 1 1.665 . A 34 LYS HDy H 1 1.665 . A 34 LYS HEx H 1 2.915 . A 34 LYS HEy H 1 2.915 . A 34 LYS HGx H 1 1.461 . A 34 LYS HGy H 1 1.538 . A 34 LYS C C 13 178.041 . A 34 LYS CA C 13 58.833 . A 34 LYS CB C 13 32.636 . A 34 LYS CD C 13 29.357 . A 34 LYS CE C 13 42.146 . A 34 LYS CG C 13 24.965 . A 34 LYS N N 15 116.750 . A 35 SER H H 1 7.560 . A 35 SER HA H 1 4.432 . A 35 SER HBx H 1 3.966 . A 35 SER HBy H 1 3.972 . A 35 SER C C 13 173.574 . A 35 SER CA C 13 59.525 . A 35 SER CB C 13 64.295 . A 35 SER N N 15 111.824 . A 36 ASN H H 1 7.606 . A 36 ASN HA H 1 5.254 . A 36 ASN HBx H 1 2.720 . A 36 ASN HBy H 1 2.722 . A 36 ASN CA C 13 51.487 . A 36 ASN CB C 13 40.276 . A 36 ASN N N 15 118.671 . A 37 PRO HA H 1 4.431 . A 37 PRO HBy H 1 2.406 . A 37 PRO HDx H 1 3.649 . A 37 PRO HDy H 1 3.821 . A 37 PRO HGx H 1 2.109 . A 37 PRO HGy H 1 2.109 . A 37 PRO C C 13 178.838 . A 37 PRO CA C 13 65.257 . A 37 PRO CB C 13 32.156 . A 37 PRO CD C 13 50.722 . A 37 PRO CG C 13 27.396 . A 38 GLN H H 1 8.744 . A 38 GLN HA H 1 4.223 . A 38 GLN HBx H 1 2.125 . A 38 GLN HBy H 1 2.127 . A 38 GLN HGx H 1 2.388 . A 38 GLN HGy H 1 2.511 . A 38 GLN C C 13 178.432 . A 38 GLN CA C 13 58.523 . A 38 GLN CB C 13 27.893 . A 38 GLN CG C 13 33.877 . A 38 GLN N N 15 118.335 . A 39 LEU H H 1 7.857 . A 39 LEU HA H 1 4.204 . A 39 LEU HBx H 1 1.654 . A 39 LEU HBy H 1 1.754 . A 39 LEU HDx% H 1 0.806 . A 39 LEU HDy% H 1 0.810 . A 39 LEU HG H 1 1.597 . A 39 LEU C C 13 178.207 . A 39 LEU CA C 13 56.959 . A 39 LEU CB C 13 42.017 . A 39 LEU CDy C 13 25.128 . A 39 LEU CDx C 13 24.219 . A 39 LEU CG C 13 27.024 . A 39 LEU N N 15 121.296 . A 40 MET H H 1 7.964 . A 40 MET HA H 1 4.209 . A 40 MET HBx H 1 2.163 . A 40 MET HBy H 1 2.163 . A 40 MET HE% H 1 1.983 . A 40 MET HGx H 1 2.534 . A 40 MET HGy H 1 2.535 . A 40 MET C C 13 177.525 . A 40 MET CA C 13 58.239 . A 40 MET CB C 13 31.933 . A 40 MET CE C 13 17.615 . A 40 MET CG C 13 32.471 . A 40 MET N N 15 117.796 . A 41 ALA H H 1 7.958 . A 41 ALA HA H 1 4.081 . A 41 ALA HB% H 1 1.492 . A 41 ALA C C 13 179.456 . A 41 ALA CA C 13 55.029 . A 41 ALA CB C 13 18.253 . A 41 ALA N N 15 119.971 . A 42 ALA H H 1 7.629 . A 42 ALA HA H 1 4.150 . A 42 ALA HB% H 1 1.440 . A 42 ALA C C 13 179.252 . A 42 ALA CA C 13 54.547 . A 42 ALA CB C 13 18.443 . A 42 ALA N N 15 119.747 . A 43 PHE H H 1 8.174 . A 43 PHE HA H 1 4.271 . A 43 PHE HBx H 1 3.067 . A 43 PHE HBy H 1 3.225 . A 43 PHE HDx H 1 7.142 . A 43 PHE HDy H 1 7.142 . A 43 PHE HEx H 1 7.133 . A 43 PHE HEy H 1 7.133 . A 43 PHE C C 13 176.959 . A 43 PHE CA C 13 60.173 . A 43 PHE CB C 13 39.752 . A 43 PHE CDx C 13 132.517 . A 43 PHE CDy C 13 132.517 . A 43 PHE CEx C 13 130.380 . A 43 PHE CEy C 13 130.380 . A 43 PHE N N 15 118.300 . A 44 ILE H H 1 8.159 . A 44 ILE HA H 1 3.740 . A 44 ILE HB H 1 1.952 . A 44 ILE HD1% H 1 0.832 . A 44 ILE HG1x H 1 1.264 . A 44 ILE HG1y H 1 1.670 . A 44 ILE HG2% H 1 0.894 . A 44 ILE C C 13 177.535 . A 44 ILE CA C 13 63.353 . A 44 ILE CB C 13 38.134 . A 44 ILE CD1 C 13 12.667 . A 44 ILE CG1 C 13 28.209 . A 44 ILE CG2 C 13 17.736 . A 44 ILE N N 15 118.192 . A 45 LYS H H 1 7.918 . A 45 LYS HA H 1 4.101 . A 45 LYS HBx H 1 1.868 . A 45 LYS HBy H 1 1.869 . A 45 LYS HDx H 1 1.668 . A 45 LYS HEx H 1 2.956 . A 45 LYS HEy H 1 2.958 . A 45 LYS HGx H 1 1.427 . A 45 LYS HGy H 1 1.509 . A 45 LYS C C 13 177.468 . A 45 LYS CA C 13 58.192 . A 45 LYS CB C 13 32.717 . A 45 LYS CD C 13 28.985 . A 45 LYS CE C 13 41.841 . A 45 LYS CG C 13 25.245 . A 45 LYS N N 15 121.467 . A 46 GLN H H 1 7.931 . A 46 GLN HA H 1 4.179 . A 46 GLN HBx H 1 2.058 . A 46 GLN HBy H 1 2.071 . A 46 GLN HGx H 1 2.354 . A 46 GLN HGy H 1 2.417 . A 46 GLN CA C 13 56.864 . A 46 GLN CB C 13 29.016 . A 46 GLN CG C 13 34.017 . A 46 GLN N N 15 118.816 . A 47 ARG HA H 1 4.374 . A 47 ARG HBx H 1 1.754 . A 47 ARG HBy H 1 1.877 . A 47 ARG HDx H 1 3.193 . A 47 ARG HDy H 1 3.194 . A 47 ARG HGx H 1 1.622 . A 47 ARG C C 13 176.807 . A 47 ARG CA C 13 56.731 . A 47 ARG CB C 13 30.431 . A 47 ARG CD C 13 42.876 . A 47 ARG CG C 13 27.195 . A 48 THR H H 1 7.943 . A 48 THR HA H 1 4.262 . A 48 THR HG2% H 1 1.192 . A 48 THR C C 13 174.487 . A 48 THR CA C 13 62.479 . A 48 THR CB C 13 69.820 . A 48 THR CG2 C 13 21.802 . A 48 THR N N 15 113.247 . A 49 ALA H H 1 7.995 . A 49 ALA HA H 1 4.249 . A 49 ALA HB% H 1 1.375 . A 49 ALA C C 13 177.677 . A 49 ALA CA C 13 53.149 . A 49 ALA CB C 13 19.243 . A 49 ALA N N 15 125.780 . A 50 LYS H H 1 8.049 . A 50 LYS HA H 1 4.180 . A 50 LYS HBx H 1 1.673 . A 50 LYS HBy H 1 1.674 . A 50 LYS HDx H 1 1.607 . A 50 LYS HDy H 1 1.609 . A 50 LYS HEx H 1 2.927 . A 50 LYS HEy H 1 2.928 . A 50 LYS HGx H 1 1.271 . A 50 LYS HGy H 1 1.299 . A 50 LYS C C 13 176.220 . A 50 LYS CA C 13 56.763 . A 50 LYS CB C 13 33.136 . A 50 LYS CD C 13 29.047 . A 50 LYS CE C 13 41.841 . A 50 LYS CG C 13 24.767 . A 50 LYS N N 15 119.248 . A 51 TYR H H 1 8.028 . A 51 TYR HA H 1 4.528 . A 51 TYR HBx H 1 2.961 . A 51 TYR HBy H 1 2.988 . A 51 TYR HDx H 1 7.078 . A 51 TYR HDy H 1 7.078 . A 51 TYR HEx H 1 6.785 . A 51 TYR HEy H 1 6.785 . A 51 TYR C C 13 175.557 . A 51 TYR CA C 13 58.219 . A 51 TYR CB C 13 38.983 . A 51 TYR CDx C 13 133.170 . A 51 TYR CDy C 13 133.170 . A 51 TYR CEx C 13 118.446 . A 51 TYR CEy C 13 118.446 . A 51 TYR N N 15 121.006 . A 52 VAL H H 1 7.866 . A 52 VAL HA H 1 3.992 . A 52 VAL HB H 1 1.983 . A 52 VAL HGx% H 1 0.872 . A 52 VAL HGy% H 1 0.874 . A 52 VAL C C 13 175.274 . A 52 VAL CA C 13 62.034 . A 52 VAL CB C 13 33.097 . A 52 VAL CGy C 13 21.233 . A 52 VAL CGx C 13 20.296 . A 52 VAL N N 15 122.483 . A 53 ALA H H 1 8.138 . A 53 ALA HA H 1 4.215 . A 53 ALA HB% H 1 1.380 . A 53 ALA C C 13 177.293 . A 53 ALA CA C 13 52.680 . A 53 ALA CB C 13 19.309 . A 53 ALA N N 15 126.748 . A 54 ASN H H 1 8.241 . A 54 ASN HA H 1 4.615 . A 54 ASN HBx H 1 2.734 . A 54 ASN HBy H 1 2.771 . A 54 ASN HD2x H 1 6.862 . A 54 ASN HD2y H 1 7.552 . A 54 ASN C C 13 174.698 . A 54 ASN CA C 13 53.334 . A 54 ASN CB C 13 38.781 . A 54 ASN N N 15 117.145 . A 54 ASN ND2 N 15 112.049 . A 55 GLN H H 1 8.104 . A 55 GLN HA H 1 4.606 . A 55 GLN HBx H 1 1.907 . A 55 GLN HBy H 1 2.074 . A 55 GLN HGx H 1 2.332 . A 55 GLN HGy H 1 2.334 . A 55 GLN CA C 13 53.777 . A 55 GLN CB C 13 29.329 . A 55 GLN CG C 13 33.161 . A 55 GLN N N 15 120.925 . A 56 PRO HA H 1 4.423 . A 56 PRO HBx H 1 1.966 . A 56 PRO HBy H 1 2.298 . A 56 PRO HDx H 1 3.672 . A 56 PRO HDy H 1 3.782 . A 56 PRO HGx H 1 2.066 . A 56 PRO HGy H 1 2.066 . A 56 PRO C C 13 177.468 . A 56 PRO CA C 13 63.671 . A 56 PRO CB C 13 32.129 . A 56 PRO CD C 13 50.717 . A 56 PRO CG C 13 27.508 . A 57 GLY H H 1 8.498 . A 57 GLY HAx H 1 3.956 . A 57 GLY HAy H 1 3.958 . A 57 GLY C C 13 174.200 . A 57 GLY CA C 13 45.503 . A 57 GLY N N 15 109.378 . A 58 MET H H 1 8.031 . A 58 MET HA H 1 4.509 . A 58 MET HBx H 1 1.984 . A 58 MET HBy H 1 2.122 . A 58 MET HE% H 1 2.078 . A 58 MET HGx H 1 2.496 . A 58 MET HGy H 1 2.584 . A 58 MET C C 13 175.290 . A 58 MET CA C 13 55.540 . A 58 MET CB C 13 33.312 . A 58 MET CE C 13 17.089 . A 58 MET CG C 13 31.939 . A 58 MET N N 15 119.831 . A 59 GLN H H 1 7.940 . A 59 GLN HA H 1 4.166 . A 59 GLN HBx H 1 1.916 . A 59 GLN HBy H 1 2.104 . A 59 GLN HGx H 1 2.281 . A 59 GLN HGy H 1 2.281 . A 59 GLN CA C 13 57.361 . A 59 GLN CB C 13 30.535 . A 59 GLN CG C 13 34.282 . A 59 GLN N N 15 126.033 . stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-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 33 LEU HDy% A 43 PHE HEy 1.0 1.955 4.847 2 1 A 33 LEU HDy% A 43 PHE HEx 1.0 1.955 4.847 3 1 A 43 PHE HDy A 33 LEU HDy% 1.0 1.955 4.847 4 1 A 43 PHE HDx A 33 LEU HDy% 1.0 1.955 4.847 5 2 A 36 ASN HBy A 33 LEU HDx% 1.0 1.992 6.520 6 2 A 33 LEU HDx% A 36 ASN HBx 1.0 1.992 6.520 7 3 A 43 PHE HDx A 29 VAL HGx% 1.0 1.948 4.766 8 3 A 43 PHE HEx A 29 VAL HGx% 1.0 1.948 4.766 9 3 A 43 PHE HEy A 29 VAL HGx% 1.0 1.948 4.766 10 3 A 43 PHE HDy A 29 VAL HGx% 1.0 1.948 4.766 11 4 A 9 ALA HB% A 8 SER HBy 1.0 1.875 4.129 12 4 A 8 SER HBx A 9 ALA HB% 1.0 1.875 4.129 13 5 A 36 ASN HBx A 32 ILE HG2% 1.0 1.899 4.297 14 5 A 36 ASN HBy A 32 ILE HG2% 1.0 1.899 4.297 15 6 A 43 PHE HDy A 40 MET HE% 1.0 1.889 4.227 16 6 A 43 PHE HDx A 40 MET HE% 1.0 1.889 4.227 17 6 A 43 PHE HEy A 40 MET HE% 1.0 1.889 4.227 18 6 A 43 PHE HEx A 40 MET HE% 1.0 1.889 4.227 19 7 A 11 GLN H A 10 LEU HDx% 1.0 1.885 4.193 20 7 A 11 GLN H A 10 LEU HDy% 1.0 1.885 4.193 21 8 A 15 ARG H A 15 ARG HBy 1.0 1.649 3.001 22 8 A 15 ARG H A 15 ARG HBx 1.0 1.649 3.001 23 9 A 16 THR H A 13 LEU HDy% 1.0 1.971 5.073 24 9 A 16 THR H A 17 LEU HDy% 1.0 1.971 5.073 25 9 A 32 ILE HG2% A 16 THR H 1.0 1.971 5.073 26 9 A 16 THR H A 14 LEU HDx% 1.0 1.971 5.073 27 9 A 16 THR H A 14 LEU HDy% 1.0 1.971 5.073 28 10 A 15 ARG HBx A 16 THR H 1.0 1.887 4.215 29 10 A 15 ARG HBy A 16 THR H 1.0 1.887 4.215 30 11 A 17 LEU H A 17 LEU HDx% 1.0 1.887 4.213 31 11 A 17 LEU HDy% A 17 LEU H 1.0 1.887 4.213 32 12 A 15 ARG H A 14 LEU HDx% 1.0 1.903 4.337 33 12 A 15 ARG H A 14 LEU HDy% 1.0 1.903 4.337 34 13 A 58 MET H A 57 GLY HAy 1.0 1.901 4.321 35 13 A 58 MET H A 57 GLY HAx 1.0 1.901 4.321 36 14 A 57 GLY HAx A 57 GLY H 1.0 1.959 4.889 37 14 A 57 GLY HAy A 57 GLY H 1.0 1.959 4.889 38 15 A 55 GLN H A 55 GLN HA 1.0 1.942 4.702 39 15 A 55 GLN H A 54 ASN HA 1.0 1.942 4.702 40 16 A 52 VAL H A 51 TYR HBx 1.0 1.890 4.236 41 16 A 52 VAL H A 51 TYR HBy 1.0 1.890 4.236 42 17 A 51 TYR H A 50 LYS HBy 1.0 1.934 4.614 43 17 A 51 TYR H A 50 LYS HBx 1.0 1.934 4.614 44 18 A 50 LYS HBx A 50 LYS H 1.0 1.915 4.433 45 18 A 50 LYS HBy A 50 LYS H 1.0 1.915 4.433 46 19 A 46 GLN H A 45 LYS HBy 1.0 1.910 4.390 47 19 A 46 GLN H A 45 LYS HBx 1.0 1.910 4.390 48 20 A 45 LYS HBy A 45 LYS H 1.0 1.706 3.228 49 20 A 45 LYS HBx A 45 LYS H 1.0 1.706 3.228 50 21 A 39 LEU H A 39 LEU HDy% 1.0 1.855 3.989 51 21 A 39 LEU H A 39 LEU HDx% 1.0 1.855 3.989 52 22 A 38 GLN H A 38 GLN HGx 1.0 1.997 5.711 53 22 A 38 GLN H A 37 PRO HBx 1.0 1.997 5.711 54 23 A 36 ASN HBy A 36 ASN H 1.0 1.833 3.855 55 23 A 36 ASN HBx A 36 ASN H 1.0 1.833 3.855 56 24 A 54 ASN HD2y A 54 ASN HBy 1.0 1.978 5.184 57 24 A 54 ASN HD2y A 54 ASN HBx 1.0 1.978 5.184 58 25 A 34 LYS H A 34 LYS HGy 1.0 1.952 4.810 59 25 A 34 LYS H A 33 LEU HBy 1.0 1.952 4.810 60 26 A 35 SER H A 35 SER HBy 1.0 1.706 3.228 61 26 A 35 SER H A 35 SER HBx 1.0 1.706 3.228 62 27 A 29 VAL HGx% A 30 LEU H 1.0 1.760 3.466 63 27 A 29 VAL HGx% A 29 VAL H 1.0 1.760 3.466 64 28 A 40 MET H A 42 ALA H 1.0 1.981 5.239 65 28 A 36 ASN H A 40 MET H 1.0 1.981 5.239 66 29 A 39 LEU HDy% A 40 MET H 1.0 1.913 4.415 67 29 A 39 LEU HDx% A 40 MET H 1.0 1.913 4.415 68 30 A 16 THR H A 17 LEU HDx% 1.0 1.971 5.069 69 30 A 16 THR H A 17 LEU HDy% 1.0 1.971 5.069 70 30 A 16 THR H A 14 LEU HDx% 1.0 1.971 5.069 71 31 A 11 GLN H A 12 ASP H 1.0 1.677 3.109 72 31 A 11 GLN H A 10 LEU H 1.0 1.677 3.109 73 32 A 15 ARG HBy A 14 LEU H 1.0 0.000 6.000 74 32 A 15 ARG HBx A 14 LEU H 1.0 0.000 6.000 75 33 A 15 ARG H A 14 LEU HG 1.0 1.826 3.810 76 33 A 15 ARG H A 14 LEU HBx 1.0 1.826 3.810 77 34 A 45 LYS HBx A 43 PHE H 1.0 1.989 5.407 78 34 A 45 LYS HBy A 43 PHE H 1.0 1.989 5.407 79 35 A 43 PHE HDy A 48 THR H 1.0 1.694 3.178 80 35 A 43 PHE HDx A 48 THR H 1.0 1.694 3.178 81 35 A 43 PHE HEy A 48 THR H 1.0 1.694 3.178 82 35 A 43 PHE HEx A 48 THR H 1.0 1.694 3.178 83 36 A 33 LEU HDy% A 33 LEU HBy 1.0 1.822 3.790 84 37 A 33 LEU HDy% A 33 LEU HBx 1.0 1.731 3.333 85 38 A 33 LEU HDy% A 40 MET HBx 1.0 1.981 5.233 86 39 A 33 LEU HDy% A 40 MET HGy 1.0 1.980 5.232 87 40 A 33 LEU HDy% A 30 LEU HA 1.0 1.915 4.435 88 41 A 33 LEU HDy% A 33 LEU HA 1.0 1.949 4.775 89 42 A 33 LEU HDx% A 33 LEU HBy 1.0 1.768 3.506 90 43 A 33 LEU HDx% A 39 LEU HBx 1.0 1.810 3.726 91 44 A 33 LEU HDx% A 33 LEU HG 1.0 1.647 2.989 92 45 A 33 LEU HDx% A 40 MET HBx 1.0 1.895 4.275 93 46 A 33 LEU HDx% A 40 MET HGy 1.0 1.927 4.543 94 47 A 33 LEU HDx% A 43 PHE HBy 1.0 1.961 4.919 95 48 A 33 LEU HDx% A 43 PHE HBx 1.0 1.986 5.340 96 49 A 33 LEU HDx% A 33 LEU HA 1.0 1.679 3.117 97 50 A 33 LEU HDx% A 40 MET HA 1.0 1.836 3.872 98 51 A 43 PHE HDy A 33 LEU HDx% 1.0 1.909 4.385 99 51 A 43 PHE HDx A 33 LEU HDx% 1.0 1.909 4.385 100 52 A 33 LEU HDx% A 29 VAL HGy% 1.0 0.000 6.000 101 53 A 29 VAL HGy% A 16 THR HG2% 1.0 1.661 3.049 102 54 A 33 LEU HDy% A 29 VAL HGy% 1.0 1.951 4.789 103 55 A 29 VAL HGy% A 17 LEU HBx 1.0 1.892 4.244 104 56 A 29 VAL HGy% A 17 LEU HG 1.0 1.841 3.903 105 57 A 29 VAL HGy% A 32 ILE HB 1.0 1.927 4.541 106 58 A 29 VAL HGy% A 29 VAL HB 1.0 1.602 2.828 107 59 A 29 VAL HGy% A 25 GLN HGy 1.0 1.921 4.485 108 60 A 29 VAL HGy% A 28 GLN HBx 1.0 1.847 3.939 109 61 A 29 VAL HGy% A 29 VAL HA 1.0 1.697 3.191 110 62 A 30 LEU HA A 29 VAL HGy% 1.0 0.000 6.000 111 63 A 29 VAL HGy% A 17 LEU HA 1.0 1.878 4.150 112 64 A 29 VAL HGy% A 16 THR HB 1.0 1.932 4.592 113 65 A 33 LEU HDy% A 29 VAL HGx% 1.0 1.734 3.348 114 66 A 29 VAL HGx% A 29 VAL HGy% 1.0 1.579 2.749 115 67 A 29 VAL HGx% A 29 VAL HB 1.0 1.650 3.006 116 68 A 29 VAL HGx% A 33 LEU HBx 1.0 1.824 3.804 117 69 A 29 VAL HGx% A 17 LEU HBx 1.0 1.923 4.507 118 70 A 29 VAL HGx% A 29 VAL HA 1.0 1.766 3.498 119 71 A 29 VAL HGx% A 30 LEU HA 1.0 1.904 4.348 120 72 A 29 VAL HGx% A 17 LEU HA 1.0 1.975 5.125 121 73 A 29 VAL HGx% A 32 ILE HB 1.0 1.834 3.860 122 74 A 29 VAL HGx% A 33 LEU HG 1.0 0.000 6.000 123 75 A 29 VAL HGx% A 16 THR HG2% 1.0 1.827 3.821 124 76 A 15 ARG HBy A 16 THR HG2% 1.0 1.935 4.625 125 77 A 16 THR HG2% A 29 VAL HB 1.0 0.000 6.000 126 78 A 16 THR HG2% A 28 GLN HBx 1.0 1.773 3.533 127 79 A 16 THR HG2% A 24 GLN HBx 1.0 1.851 3.965 128 80 A 16 THR HG2% A 32 ILE HG1x 1.0 1.931 4.577 129 81 A 16 THR HG2% A 29 VAL HA 1.0 1.988 5.384 130 82 A 16 THR HG2% A 16 THR HA 1.0 1.677 3.109 131 83 A 16 THR HG2% A 16 THR HB 1.0 1.672 3.088 132 84 A 48 THR HA A 48 THR HG2% 1.0 1.574 2.736 133 85 A 41 ALA HB% A 41 ALA HA 1.0 1.564 2.702 134 86 A 42 ALA HA A 42 ALA HB% 1.0 1.586 2.772 135 87 A 9 ALA HB% A 9 ALA HA 1.0 1.588 2.778 136 88 A 36 ASN HBx A 9 ALA HB% 1.0 1.948 4.764 137 89 A 41 ALA HB% A 38 GLN HA 1.0 1.687 3.151 138 90 A 40 MET HBx A 41 ALA HB% 1.0 0.000 6.000 139 91 A 41 ALA HB% A 38 GLN HGy 1.0 1.983 5.271 140 92 A 38 GLN HGx A 41 ALA HB% 1.0 1.984 5.306 141 93 A 41 ALA HB% A 45 LYS HEy 1.0 1.999 5.799 142 94 A 49 ALA HA A 49 ALA HB% 1.0 1.559 2.685 143 95 A 53 ALA HB% A 53 ALA HA 1.0 1.528 2.586 144 96 A 32 ILE HG2% A 32 ILE HA 1.0 1.741 3.381 145 97 A 32 ILE HG2% A 33 LEU HA 1.0 1.865 4.053 146 98 A 32 ILE HG2% A 29 VAL HA 1.0 1.993 5.541 147 99 A 32 ILE HG2% A 32 ILE HB 1.0 1.588 2.780 148 100 A 32 ILE HG2% A 32 ILE HG1x 1.0 1.617 2.883 149 101 A 5 ILE HA A 5 ILE HG2% 1.0 1.814 3.746 150 102 A 5 ILE HG2% A 5 ILE HG1y 1.0 1.722 3.296 151 103 A 45 LYS HA A 44 ILE HG2% 1.0 1.880 4.166 152 104 A 44 ILE HG2% A 44 ILE HA 1.0 1.760 3.466 153 105 A 44 ILE HG2% A 44 ILE HB 1.0 1.604 2.838 154 106 A 44 ILE HG2% A 44 ILE HG1y 1.0 1.746 3.402 155 107 A 44 ILE HG2% A 44 ILE HG1x 1.0 1.734 3.350 156 108 A 13 LEU HA A 32 ILE HD1% 1.0 1.807 3.705 157 109 A 16 THR HB A 32 ILE HD1% 1.0 1.934 4.612 158 110 A 29 VAL HA A 32 ILE HD1% 1.0 1.820 3.782 159 111 A 32 ILE HA A 32 ILE HD1% 1.0 1.915 4.435 160 112 A 32 ILE HD1% A 12 ASP HBy 1.0 1.961 4.921 161 113 A 32 ILE HD1% A 12 ASP HBx 1.0 1.893 4.257 162 114 A 5 ILE HD1% A 5 ILE HB 1.0 1.745 3.397 163 115 A 32 ILE HD1% A 32 ILE HG1y 1.0 1.606 2.842 164 116 A 38 GLN HGx A 5 ILE HD1% 1.0 1.970 5.046 165 117 A 5 ILE HA A 5 ILE HD1% 1.0 1.952 4.806 166 118 A 41 ALA HA A 44 ILE HD1% 1.0 1.889 4.229 167 119 A 44 ILE HA A 44 ILE HD1% 1.0 1.909 4.385 168 120 A 40 MET HGy A 44 ILE HD1% 1.0 1.844 3.918 169 121 A 44 ILE HG1x A 44 ILE HD1% 1.0 1.657 3.027 170 122 A 33 LEU HDy% A 40 MET HE% 1.0 1.795 3.639 171 123 A 33 LEU HDx% A 40 MET HE% 1.0 0.000 6.000 172 124 A 40 MET HE% A 44 ILE HG1x 1.0 1.949 4.775 173 125 A 40 MET HE% A 33 LEU HBy 1.0 1.853 3.975 174 126 A 40 MET HE% A 44 ILE HG1y 1.0 1.815 3.751 175 127 A 40 MET HE% A 30 LEU HG 1.0 1.820 3.778 176 128 A 40 MET HE% A 30 LEU HBy 1.0 1.925 4.523 177 129 A 40 MET HE% A 33 LEU HBx 1.0 1.808 3.714 178 130 A 40 MET HE% A 34 LYS HBx 1.0 0.000 6.000 179 131 A 40 MET HE% A 40 MET HBx 1.0 0.000 6.000 180 132 A 40 MET HE% A 40 MET HGy 1.0 1.744 3.390 181 133 A 40 MET HE% A 30 LEU HA 1.0 1.928 4.548 182 134 A 40 MET HE% A 34 LYS HA 1.0 1.887 4.211 183 135 A 40 MET HE% A 40 MET HA 1.0 1.930 4.568 184 136 A 40 MET HE% A 31 ASN HA 1.0 1.961 4.925 185 137 A 5 ILE H A 4 SER HA 1.0 1.819 3.775 186 138 A 5 ILE HA A 5 ILE H 1.0 1.955 4.849 187 139 A 5 ILE H A 4 SER HBx 1.0 1.972 5.088 188 140 A 5 ILE HB A 5 ILE H 1.0 1.893 4.259 189 141 A 5 ILE HG1y A 5 ILE H 1.0 1.965 4.977 190 142 A 5 ILE HG2% A 6 SER H 1.0 2.000 5.826 191 143 A 9 ALA HB% A 6 SER H 1.0 1.999 5.857 192 144 A 5 ILE HB A 6 SER H 1.0 1.975 6.927 193 145 A 5 ILE HA A 6 SER H 1.0 1.896 4.278 194 146 A 6 SER H A 6 SER HBx 1.0 1.999 5.859 195 147 A 9 ALA HA A 9 ALA H 1.0 1.895 4.271 196 148 A 8 SER HBy A 9 ALA H 1.0 1.987 5.351 197 149 A 8 SER HBx A 9 ALA H 1.0 1.996 5.650 198 150 A 10 LEU H A 9 ALA HA 1.0 1.924 4.512 199 151 A 10 LEU H A 10 LEU HA 1.0 1.838 3.888 200 152 A 10 LEU H A 11 GLN HBx 1.0 1.963 4.959 201 153 A 10 LEU H A 10 LEU HG 1.0 1.724 3.308 202 154 A 9 ALA HB% A 10 LEU H 1.0 1.804 3.694 203 155 A 9 ALA HB% A 11 GLN H 1.0 1.939 4.655 204 156 A 11 GLN H A 10 LEU HG 1.0 0.000 6.000 205 157 A 11 GLN H A 10 LEU HBx 1.0 1.791 3.621 206 158 A 11 GLN H A 11 GLN HBx 1.0 1.624 2.908 207 159 A 11 GLN H A 11 GLN HGy 1.0 1.785 3.591 208 160 A 11 GLN H A 11 GLN HA 1.0 1.777 3.551 209 161 A 11 GLN H A 8 SER HA 1.0 1.899 4.297 210 162 A 11 GLN H A 10 LEU HA 1.0 1.870 4.088 211 163 A 12 ASP H A 11 GLN HBx 1.0 1.805 3.697 212 164 A 12 ASP H A 12 ASP HBx 1.0 1.853 3.979 213 165 A 12 ASP H A 12 ASP HBy 1.0 1.789 3.611 214 166 A 12 ASP H A 12 ASP HA 1.0 1.837 3.879 215 167 A 12 ASP H A 9 ALA HA 1.0 1.896 4.280 216 168 A 13 LEU H A 15 ARG HGx 1.0 0.000 6.000 217 169 A 13 LEU H A 13 LEU HBy 1.0 1.870 4.092 218 170 A 13 LEU H A 13 LEU HBx 1.0 1.877 4.141 219 171 A 12 ASP HBx A 13 LEU H 1.0 1.985 5.325 220 172 A 12 ASP HBy A 13 LEU H 1.0 1.972 5.080 221 173 A 13 LEU HA A 13 LEU H 1.0 1.885 4.197 222 174 A 14 LEU HDx% A 14 LEU H 1.0 1.770 3.520 223 175 A 14 LEU H A 14 LEU HBy 1.0 1.838 3.882 224 176 A 14 LEU H A 14 LEU HBx 1.0 1.654 3.018 225 177 A 14 LEU H A 13 LEU HBx 1.0 1.760 3.470 226 178 A 14 LEU H A 14 LEU HA 1.0 1.796 3.646 227 179 A 14 LEU H A 13 LEU HA 1.0 1.859 4.013 228 180 A 27 GLN H A 27 GLN HA 1.0 1.740 3.374 229 181 A 15 ARG H A 15 ARG HA 1.0 1.731 3.335 230 182 A 15 ARG H A 15 ARG HDx 1.0 1.983 5.283 231 183 A 16 THR H A 14 LEU HBx 1.0 0.000 6.000 232 184 A 16 THR H A 16 THR HB 1.0 1.856 3.998 233 185 A 16 THR H A 16 THR HA 1.0 1.814 3.750 234 186 A 17 LEU H A 16 THR HB 1.0 1.941 4.693 235 187 A 17 LEU H A 17 LEU HA 1.0 1.875 4.123 236 188 A 17 LEU H A 17 LEU HBy 1.0 1.778 3.556 237 189 A 17 LEU H A 17 LEU HBx 1.0 1.914 4.422 238 190 A 17 LEU H A 16 THR HG2% 1.0 1.987 5.357 239 191 A 17 LEU HDy% A 18 LYS H 1.0 1.995 5.593 240 192 A 18 LYS H A 18 LYS HGy 1.0 1.963 4.945 241 193 A 18 LYS H A 18 LYS HGx 1.0 1.916 4.446 242 194 A 18 LYS H A 18 LYS HDx 1.0 1.993 5.527 243 195 A 18 LYS H A 18 LYS HBx 1.0 1.829 3.831 244 196 A 18 LYS H A 18 LYS HBy 1.0 1.921 4.489 245 197 A 17 LEU HA A 18 LYS H 1.0 1.914 4.426 246 198 A 18 LYS H A 18 LYS HA 1.0 1.900 4.308 247 199 A 17 LEU H A 18 LYS H 1.0 1.931 4.587 248 200 A 18 LYS HA A 19 SER H 1.0 1.966 4.980 249 201 A 19 SER H A 19 SER HA 1.0 1.915 4.441 250 202 A 24 GLN HBx A 24 GLN H 1.0 1.984 5.300 251 203 A 25 GLN H A 25 GLN HA 1.0 1.836 3.872 252 204 A 25 GLN H A 24 GLN HA 1.0 1.868 4.082 253 205 A 24 GLN HBx A 25 GLN H 1.0 1.887 4.209 254 206 A 26 GLN H A 26 GLN HBx 1.0 1.830 3.842 255 207 A 26 GLN H A 26 GLN HGy 1.0 1.864 4.048 256 208 A 26 GLN H A 26 GLN HA 1.0 1.900 4.310 257 209 A 25 GLN HA A 26 GLN H 1.0 1.947 4.753 258 210 A 25 GLN H A 26 GLN H 1.0 1.806 3.706 259 211 A 15 ARG H A 15 ARG HGy 1.0 1.839 3.889 260 212 A 27 GLN H A 26 GLN HA 1.0 1.941 4.683 261 213 A 27 GLN H A 26 GLN H 1.0 1.838 3.884 262 214 A 32 ILE HG2% A 32 ILE H 1.0 1.806 3.704 263 215 A 32 ILE HB A 32 ILE H 1.0 1.730 3.330 264 216 A 32 ILE H A 31 ASN HBx 1.0 1.891 4.241 265 217 A 32 ILE H A 31 ASN HBy 1.0 1.882 4.176 266 218 A 29 VAL HA A 32 ILE H 1.0 1.963 4.955 267 219 A 32 ILE HA A 32 ILE H 1.0 1.856 3.998 268 220 A 31 ASN HA A 32 ILE H 1.0 1.958 4.892 269 221 A 32 ILE H A 31 ASN H 1.0 1.817 3.761 270 222 A 32 ILE H A 33 LEU H 1.0 1.775 3.543 271 223 A 31 ASN HA A 31 ASN H 1.0 1.879 4.151 272 224 A 31 ASN H A 28 GLN HA 1.0 1.941 4.685 273 225 A 30 LEU HA A 31 ASN H 1.0 1.957 4.877 274 226 A 31 ASN HBy A 31 ASN H 1.0 1.795 3.641 275 227 A 30 LEU HBy A 31 ASN H 1.0 1.929 4.565 276 228 A 32 ILE HG2% A 31 ASN H 1.0 0.000 6.000 277 229 A 30 LEU H A 31 ASN H 1.0 1.784 3.588 278 230 A 6 SER H A 5 ILE HG1x 1.0 1.991 6.553 279 231 A 10 LEU H A 7 PRO HA 1.0 1.959 4.895 280 232 A 12 ASP H A 11 GLN HGy 1.0 1.972 5.092 281 233 A 33 LEU HA A 33 LEU H 1.0 1.761 3.475 282 234 A 11 GLN H A 12 ASP H 1.0 1.678 3.112 283 235 A 9 ALA HA A 13 LEU H 1.0 1.998 5.768 284 236 A 12 ASP HA A 13 LEU H 1.0 1.996 5.672 285 237 A 14 LEU H A 13 LEU H 1.0 1.848 3.950 286 238 A 15 ARG H A 14 LEU H 1.0 1.833 3.855 287 239 A 15 ARG H A 14 LEU HBx 1.0 1.777 3.549 288 240 A 15 ARG H A 15 ARG HGx 1.0 1.904 4.338 289 241 A 15 ARG H A 14 LEU HBy 1.0 1.874 4.118 290 242 A 21 SER H A 21 SER HA 1.0 1.888 4.220 291 243 A 21 SER H A 20 PRO HBx 1.0 2.000 5.936 292 244 A 21 SER H A 20 PRO HBy 1.0 2.000 6.134 293 245 A 24 GLN H A 23 PRO HA 1.0 1.996 6.366 294 246 A 58 MET H A 58 MET HBy 1.0 1.942 4.696 295 247 A 58 MET H A 58 MET HA 1.0 1.987 5.375 296 248 A 57 GLY H A 56 PRO HA 1.0 1.955 4.843 297 249 A 55 GLN H A 55 GLN HGy 1.0 1.989 5.403 298 250 A 55 GLN H A 55 GLN HBy 1.0 1.997 5.695 299 251 A 55 GLN H A 55 GLN HBx 1.0 1.933 4.599 300 252 A 55 GLN H A 54 ASN HBx 1.0 1.999 5.893 301 253 A 32 ILE HB A 31 ASN H 1.0 1.974 5.106 302 254 A 53 ALA H A 52 VAL HB 1.0 1.970 5.060 303 255 A 53 ALA HA A 53 ALA H 1.0 1.935 4.625 304 256 A 53 ALA HB% A 53 ALA H 1.0 1.835 3.863 305 257 A 52 VAL H A 51 TYR HA 1.0 1.732 3.340 306 258 A 52 VAL H A 52 VAL HA 1.0 1.891 4.245 307 259 A 52 VAL H A 52 VAL HGx% 1.0 1.797 3.659 308 260 A 51 TYR HBx A 51 TYR H 1.0 1.831 3.843 309 261 A 51 TYR H A 50 LYS HA 1.0 1.844 3.918 310 262 A 51 TYR H A 51 TYR HA 1.0 1.937 4.643 311 263 A 51 TYR H A 50 LYS HGx 1.0 1.996 5.658 312 264 A 50 LYS H A 49 ALA HB% 1.0 1.967 5.011 313 265 A 50 LYS H A 49 ALA HA 1.0 1.866 4.064 314 266 A 49 ALA HB% A 49 ALA H 1.0 1.948 4.758 315 267 A 48 THR HA A 49 ALA H 1.0 1.894 4.266 316 268 A 46 GLN H A 45 LYS HDx 1.0 1.996 5.630 317 269 A 46 GLN H A 46 GLN HBx 1.0 1.833 3.853 318 270 A 46 GLN H A 46 GLN HGx 1.0 1.954 4.822 319 271 A 46 GLN H A 45 LYS HA 1.0 1.865 4.061 320 272 A 46 GLN H A 46 GLN HA 1.0 1.886 4.208 321 273 A 46 GLN H A 42 ALA HB% 1.0 1.993 5.545 322 274 A 45 LYS H A 44 ILE HG2% 1.0 1.905 4.347 323 275 A 45 LYS H A 44 ILE HB 1.0 1.818 3.768 324 276 A 44 ILE HB A 44 ILE H 1.0 1.851 3.965 325 277 A 44 ILE HG1x A 44 ILE H 1.0 1.924 4.510 326 278 A 44 ILE HG2% A 44 ILE H 1.0 1.892 4.252 327 279 A 39 LEU HDx% A 43 PHE H 1.0 1.898 4.298 328 280 A 45 LYS H A 44 ILE HG1x 1.0 1.986 5.332 329 281 A 45 LYS H A 45 LYS HGx 1.0 1.925 4.521 330 282 A 45 LYS H A 45 LYS HGy 1.0 1.912 4.414 331 283 A 45 LYS H A 44 ILE HG1y 1.0 1.937 4.649 332 284 A 45 LYS H A 44 ILE HA 1.0 1.896 4.284 333 285 A 44 ILE HA A 44 ILE H 1.0 1.945 4.721 334 286 A 43 PHE H A 43 PHE HBx 1.0 1.847 3.939 335 287 A 43 PHE H A 43 PHE HBy 1.0 1.835 3.869 336 288 A 45 LYS H A 45 LYS HA 1.0 1.798 3.660 337 289 A 45 LYS H A 44 ILE H 1.0 1.857 4.001 338 290 A 42 ALA H A 41 ALA H 1.0 1.785 3.593 339 291 A 42 ALA H A 43 PHE H 1.0 1.791 3.621 340 292 A 43 PHE H A 43 PHE HA 1.0 1.867 4.071 341 293 A 42 ALA HA A 44 ILE H 1.0 1.924 4.518 342 294 A 43 PHE H A 42 ALA HB% 1.0 1.884 4.190 343 295 A 42 ALA H A 42 ALA HB% 1.0 1.613 2.867 344 296 A 39 LEU HDy% A 42 ALA H 1.0 1.941 4.681 345 297 A 42 ALA H A 41 ALA HB% 1.0 1.633 2.939 346 298 A 42 ALA H A 43 PHE HBx 1.0 1.994 6.434 347 299 A 41 ALA HA A 41 ALA H 1.0 1.821 3.785 348 300 A 40 MET HA A 41 ALA H 1.0 1.856 4.002 349 301 A 40 MET HGy A 41 ALA H 1.0 1.961 4.931 350 302 A 40 MET HBx A 41 ALA H 1.0 1.791 3.621 351 303 A 41 ALA HB% A 41 ALA H 1.0 1.671 3.083 352 304 A 44 ILE HD1% A 41 ALA H 1.0 1.951 4.799 353 305 A 40 MET H A 41 ALA HB% 1.0 1.954 4.832 354 306 A 40 MET H A 39 LEU HBx 1.0 1.858 4.010 355 307 A 40 MET H A 39 LEU HBy 1.0 1.884 4.192 356 308 A 40 MET H A 40 MET HBx 1.0 1.671 3.083 357 309 A 40 MET H A 40 MET HA 1.0 1.804 3.688 358 310 A 40 MET H A 37 PRO HA 1.0 1.936 4.636 359 311 A 39 LEU H A 38 GLN HA 1.0 1.804 3.690 360 312 A 36 ASN HBx A 39 LEU H 1.0 1.906 4.364 361 313 A 39 LEU H A 38 GLN HGy 1.0 1.981 5.241 362 314 A 39 LEU H A 38 GLN HGx 1.0 1.976 5.144 363 315 A 39 LEU H A 38 GLN HBx 1.0 1.838 3.886 364 316 A 39 LEU H A 39 LEU HBy 1.0 1.760 3.468 365 317 A 39 LEU H A 39 LEU HBx 1.0 1.740 3.376 366 318 A 33 LEU HDx% A 39 LEU H 1.0 1.999 5.771 367 319 A 33 LEU HDx% A 40 MET H 1.0 1.977 5.165 368 320 A 38 GLN H A 38 GLN HGy 1.0 1.995 6.375 369 321 A 38 GLN H A 38 GLN HBx 1.0 1.892 4.246 370 322 A 38 GLN H A 38 GLN HA 1.0 1.968 5.016 371 323 A 39 LEU H A 38 GLN H 1.0 1.911 4.399 372 324 A 36 ASN H A 35 SER HA 1.0 1.955 4.851 373 325 A 36 ASN H A 36 ASN HA 1.0 1.927 4.547 374 326 A 36 ASN H A 37 PRO HDy 1.0 1.982 5.262 375 327 A 32 ILE HG2% A 35 SER H 1.0 1.980 5.226 376 328 A 32 ILE HG2% A 36 ASN H 1.0 1.979 5.205 377 329 A 34 LYS H A 34 LYS HA 1.0 1.915 4.437 378 330 A 34 LYS H A 31 ASN HA 1.0 1.979 5.213 379 331 A 34 LYS H A 35 SER H 1.0 1.846 3.930 380 332 A 34 LYS H A 34 LYS HBx 1.0 1.823 3.795 381 333 A 34 LYS H A 34 LYS HGx 1.0 1.980 5.212 382 334 A 34 LYS H A 33 LEU HBx 1.0 1.893 4.257 383 335 A 35 SER H A 34 LYS HGx 1.0 1.996 5.630 384 336 A 35 SER H A 34 LYS HDx 1.0 1.999 5.781 385 337 A 35 SER H A 35 SER HA 1.0 1.816 3.758 386 338 A 35 SER H A 32 ILE HA 1.0 1.959 4.893 387 339 A 33 LEU HDy% A 33 LEU H 1.0 1.884 4.192 388 340 A 33 LEU HDx% A 33 LEU H 1.0 1.867 4.069 389 341 A 32 ILE HG2% A 33 LEU H 1.0 1.768 3.510 390 342 A 9 ALA HB% A 12 ASP H 1.0 0.000 6.000 391 343 A 33 LEU HBx A 33 LEU H 1.0 1.636 2.950 392 344 A 32 ILE HB A 33 LEU H 1.0 1.765 3.493 393 345 A 32 ILE HA A 33 LEU H 1.0 1.927 4.545 394 346 A 29 VAL H A 16 THR HG2% 1.0 1.931 4.581 395 347 A 30 LEU H A 30 LEU HBy 1.0 1.806 3.704 396 348 A 30 LEU H A 30 LEU HBx 1.0 1.719 3.283 397 349 A 40 MET HE% A 30 LEU H 1.0 0.000 6.000 398 350 A 29 VAL H A 29 VAL HB 1.0 1.559 2.683 399 351 A 30 LEU H A 31 ASN HBy 1.0 1.990 5.458 400 352 A 29 VAL H A 29 VAL HA 1.0 1.825 3.809 401 353 A 30 LEU H A 30 LEU HA 1.0 1.778 3.556 402 354 A 27 GLN HA A 28 GLN H 1.0 1.814 3.746 403 355 A 27 GLN HA A 31 ASN H 1.0 1.982 5.258 404 356 A 8 SER HBy A 8 SER H 1.0 1.999 6.061 405 357 A 8 SER HBy A 10 LEU H 1.0 0.000 6.000 406 358 A 32 ILE HG2% A 11 GLN H 1.0 0.000 6.000 407 359 A 14 LEU H A 13 LEU HG 1.0 1.879 4.151 408 360 A 14 LEU H A 11 GLN HBx 1.0 1.982 6.774 409 361 A 14 LEU H A 12 ASP HBy 1.0 1.995 6.395 410 362 A 16 THR H A 15 ARG HDx 1.0 1.998 6.250 411 363 A 16 THR H A 15 ARG HGy 1.0 1.957 4.869 412 364 A 15 ARG H A 16 THR H 1.0 1.776 3.546 413 365 A 17 LEU H A 14 LEU HA 1.0 1.953 4.823 414 366 A 16 THR HA A 19 SER H 1.0 1.992 5.500 415 367 A 17 LEU H A 19 SER H 1.0 1.992 6.510 416 368 A 59 GLN H A 59 GLN HBy 1.0 1.988 5.390 417 369 A 59 GLN H A 58 MET HBx 1.0 1.993 5.509 418 370 A 58 MET HA A 59 GLN H 1.0 1.868 4.082 419 371 A 58 MET H A 57 GLY H 1.0 1.972 6.976 420 372 A 53 ALA HA A 54 ASN H 1.0 1.983 5.289 421 373 A 31 ASN HBx A 31 ASN H 1.0 1.829 3.829 422 374 A 52 VAL H A 53 ALA H 1.0 1.976 5.156 423 375 A 53 ALA H A 51 TYR HA 1.0 1.996 6.372 424 376 A 48 THR H A 48 THR HA 1.0 1.971 5.067 425 377 A 42 ALA H A 42 ALA HA 1.0 1.762 3.478 426 378 A 42 ALA H A 39 LEU HA 1.0 1.854 3.984 427 379 A 34 LYS H A 33 LEU H 1.0 1.905 4.351 428 380 A 32 ILE HG1y A 33 LEU H 1.0 1.990 5.458 429 381 A 29 VAL HA A 33 LEU H 1.0 1.997 5.651 430 382 A 55 GLN HBx A 54 ASN H 1.0 1.984 5.296 431 383 A 10 LEU H A 10 LEU HBx 1.0 1.778 3.554 432 384 A 36 ASN H A 37 PRO HDx 1.0 1.984 5.306 433 385 A 29 VAL HB A 27 GLN H 1.0 0.000 6.000 434 386 A 11 GLN H A 10 LEU HBy 1.0 1.819 3.775 435 387 A 14 LEU H A 14 LEU HG 1.0 1.681 3.125 436 388 A 16 THR H A 16 THR HG2% 1.0 1.932 4.592 437 389 A 16 THR H A 17 LEU H 1.0 1.784 3.588 438 390 A 40 MET H A 39 LEU HA 1.0 1.821 3.785 439 391 A 39 LEU H A 39 LEU HA 1.0 1.806 3.702 440 392 A 33 LEU HBy A 33 LEU H 1.0 1.826 3.816 441 393 A 31 ASN H A 30 LEU HBx 1.0 1.877 4.145 442 394 A 10 LEU H A 11 GLN HGy 1.0 1.993 6.471 443 395 A 11 GLN H A 14 LEU HDx% 1.0 1.871 4.099 444 396 A 11 GLN H A 12 ASP HBy 1.0 1.997 5.689 445 397 A 11 GLN H A 9 ALA HA 1.0 1.944 4.716 446 398 A 8 SER HBx A 11 GLN H 1.0 0.000 6.000 447 399 A 11 GLN H A 7 PRO HA 1.0 1.928 4.550 448 400 A 29 VAL HGy% A 33 LEU H 1.0 1.996 5.664 449 401 A 29 VAL HGx% A 33 LEU H 1.0 1.833 3.855 450 402 A 33 LEU H A 30 LEU HDy% 1.0 0.000 6.000 451 403 A 15 ARG HBx A 12 ASP H 1.0 0.000 6.000 452 404 A 40 MET HGy A 33 LEU H 1.0 1.994 6.430 453 405 A 31 ASN HA A 33 LEU H 1.0 0.000 6.000 454 406 A 12 ASP H A 11 GLN HA 1.0 1.777 3.549 455 407 A 32 ILE HG2% A 13 LEU H 1.0 1.882 4.178 456 408 A 15 ARG H A 13 LEU H 1.0 1.954 4.838 457 409 A 14 LEU H A 11 GLN HA 1.0 1.835 3.865 458 410 A 15 ARG H A 14 LEU HG 1.0 1.773 3.533 459 411 A 16 THR H A 29 VAL HGy% 1.0 1.952 7.290 460 412 A 16 THR H A 17 LEU HBy 1.0 1.950 4.786 461 413 A 16 THR H A 14 LEU HA 1.0 1.980 5.218 462 414 A 16 THR H A 12 ASP HA 1.0 1.989 5.413 463 415 A 16 THR H A 18 LYS H 1.0 1.998 5.764 464 416 A 17 LEU H A 16 THR HA 1.0 1.915 4.429 465 417 A 15 ARG HA A 18 LYS H 1.0 1.986 5.340 466 418 A 15 ARG H A 18 LYS H 1.0 0.000 6.000 467 419 A 21 SER H A 20 PRO HA 1.0 1.900 4.306 468 420 A 24 GLN H A 23 PRO HBy 1.0 2.000 5.982 469 421 A 24 GLN H A 20 PRO HA 1.0 1.996 6.364 470 422 A 24 GLN H A 25 GLN H 1.0 1.999 6.243 471 423 A 25 GLN H A 23 PRO HBy 1.0 0.000 6.000 472 424 A 27 GLN H A 28 GLN HA 1.0 0.000 6.000 473 425 A 29 VAL H A 26 GLN H 1.0 0.000 6.000 474 426 A 31 ASN H A 30 LEU HDy% 1.0 1.953 4.813 475 427 A 33 LEU HDx% A 32 ILE H 1.0 2.000 5.942 476 428 A 33 LEU HDy% A 32 ILE H 1.0 1.990 6.586 477 429 A 33 LEU HBx A 32 ILE H 1.0 0.000 6.000 478 430 A 32 ILE H A 28 GLN HA 1.0 1.928 4.548 479 431 A 35 SER H A 32 ILE H 1.0 1.995 5.603 480 432 A 35 SER H A 32 ILE HB 1.0 0.000 6.000 481 433 A 35 SER H A 37 PRO HDy 1.0 1.999 5.813 482 434 A 35 SER H A 33 LEU HA 1.0 0.000 6.000 483 435 A 35 SER H A 34 LYS HA 1.0 0.000 6.000 484 436 A 36 ASN H A 34 LYS HGy 1.0 1.999 6.229 485 437 A 36 ASN H A 37 PRO HGy 1.0 1.998 5.792 486 438 A 36 ASN H A 34 LYS HA 1.0 1.891 4.243 487 439 A 36 ASN H A 37 PRO HA 1.0 1.965 4.979 488 440 A 38 GLN H A 37 PRO HA 1.0 1.958 7.214 489 441 A 39 LEU H A 40 MET HBx 1.0 0.000 6.000 490 442 A 39 LEU H A 36 ASN HA 1.0 1.998 6.256 491 443 A 39 LEU H A 37 PRO HA 1.0 1.994 5.584 492 444 A 41 ALA H A 37 PRO HA 1.0 1.996 5.616 493 445 A 39 LEU HDx% A 42 ALA H 1.0 1.939 4.663 494 446 A 42 ALA H A 39 LEU HBx 1.0 1.994 5.554 495 447 A 43 PHE H A 42 ALA HA 1.0 1.924 4.518 496 448 A 43 PHE H A 40 MET HA 1.0 1.885 4.197 497 449 A 45 LYS H A 42 ALA HA 1.0 1.829 3.833 498 450 A 45 LYS H A 46 GLN HA 1.0 0.000 6.000 499 451 A 46 GLN H A 43 PHE HA 1.0 1.995 5.581 500 452 A 48 THR H A 48 THR HG2% 1.0 1.990 6.602 501 453 A 50 LYS H A 50 LYS HGx 1.0 1.999 5.835 502 454 A 50 LYS H A 52 VAL HGx% 1.0 1.989 6.611 503 455 A 43 PHE HDy A 43 PHE H 1.0 1.979 5.205 504 455 A 43 PHE HDx A 43 PHE H 1.0 1.979 5.205 stop_ save_