data_nef_c30680_6urs 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 6URS 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 ALA start . . 2 A 2 SER middle . . 3 A 3 MET middle . . 4 A 4 GLY middle . false 5 A 5 LYS middle . . 6 A 6 SER middle . . 7 A 7 LYS middle . . 8 A 8 GLU middle . . 9 A 9 ILE middle . . 10 A 10 SER middle . . 11 A 11 GLN middle . . 12 A 12 ASP middle . . 13 A 13 LEU middle . . 14 A 14 ARG middle . . 15 A 15 LYS middle . . 16 A 16 ARG middle . . 17 A 17 ILE middle . . 18 A 18 VAL middle . . 19 A 19 ASP middle . . 20 A 20 LEU middle . . 21 A 21 TYR middle . . 22 A 22 LYS middle . . 23 A 23 SER middle . . 24 A 24 GLY middle . false 25 A 25 SER middle . . 26 A 26 SER middle . . 27 A 27 LEU middle . . 28 A 28 GLY middle . false 29 A 29 ALA middle . . 30 A 30 ILE middle . . 31 A 31 SER middle . . 32 A 32 LYS middle . . 33 A 33 ARG middle . . 34 A 34 LEU middle . . 35 A 35 ALA middle . . 36 A 36 VAL middle . . 37 A 37 PRO middle . false 38 A 38 ARG middle . . 39 A 39 SER middle . . 40 A 40 SER middle . . 41 A 41 VAL middle . . 42 A 42 GLN middle . . 43 A 43 THR middle . . 44 A 44 ILE middle . . 45 A 45 VAL middle . . 46 A 46 ARG middle . . 47 A 47 LYS middle . . 48 A 48 TYR middle . . 49 A 49 LYS middle . . 50 A 50 HIS middle . . 51 A 51 HIS middle . . 52 A 52 GLY middle . false 53 A 53 THR middle . . 54 A 54 THR middle . . 55 A 55 GLN middle . . 56 A 56 HIS middle . . 57 A 57 HIS end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 ALA HA H 1 4.249 0.020 A 1 ALA HB% H 1 1.330 0.020 A 1 ALA CB C 13 18.564 0.3 A 4 GLY H H 1 8.692 0.020 A 4 GLY HA2 H 1 4.031 0.020 A 4 GLY HA3 H 1 4.031 0.020 A 4 GLY N N 15 111.227 0.3 A 5 LYS H H 1 8.758 0.020 A 5 LYS HA H 1 4.335 0.020 A 5 LYS HB2 H 1 1.820 0.020 A 5 LYS HB3 H 1 1.820 0.020 A 5 LYS HG2 H 1 1.420 0.020 A 5 LYS HG3 H 1 1.420 0.020 A 5 LYS CA C 13 56.113 0.3 A 5 LYS CB C 13 33.357 0.3 A 5 LYS N N 15 121.037 0.3 A 6 SER H H 1 8.645 0.020 A 6 SER HA H 1 4.372 0.020 A 6 SER HB2 H 1 3.822 0.020 A 6 SER HB3 H 1 3.822 0.020 A 6 SER CA C 13 58.279 0.3 A 6 SER CB C 13 63.823 0.3 A 6 SER N N 15 118.325 0.3 A 7 LYS H H 1 8.609 0.020 A 7 LYS HA H 1 4.345 0.020 A 7 LYS HB2 H 1 1.791 0.020 A 7 LYS HB3 H 1 1.791 0.020 A 7 LYS HG2 H 1 1.700 0.020 A 7 LYS HG3 H 1 1.700 0.020 A 7 LYS CA C 13 56.594 0.3 A 7 LYS CB C 13 32.876 0.3 A 7 LYS CG C 13 28.886 0.3 A 7 LYS N N 15 124.270 0.3 A 8 GLU H H 1 8.448 0.020 A 8 GLU HA H 1 4.342 0.020 A 8 GLU HB2 H 1 1.983 0.020 A 8 GLU HB3 H 1 1.983 0.020 A 8 GLU HGy H 1 2.245 0.020 A 8 GLU HGx H 1 2.189 0.020 A 8 GLU CA C 13 56.267 0.3 A 8 GLU CB C 13 30.178 0.3 A 8 GLU CG C 13 35.811 0.3 A 8 GLU N N 15 123.213 0.3 A 9 ILE H H 1 8.435 0.020 A 9 ILE HA H 1 4.083 0.020 A 9 ILE HB H 1 1.912 0.020 A 9 ILE HD1% H 1 0.814 0.020 A 9 ILE HG2% H 1 0.889 0.020 A 9 ILE CD1 C 13 12.530 0.3 A 9 ILE CG2 C 13 17.424 0.3 A 9 ILE N N 15 125.625 0.3 A 10 SER H H 1 8.504 0.020 A 10 SER HA H 1 4.428 0.020 A 10 SER HB2 H 1 3.872 0.020 A 10 SER HB3 H 1 3.872 0.020 A 10 SER CA C 13 57.694 0.3 A 10 SER CB C 13 64.417 0.3 A 10 SER N N 15 124.248 0.3 A 11 GLN H H 1 9.095 0.020 A 11 GLN HA H 1 3.964 0.020 A 11 GLN HB2 H 1 2.089 0.020 A 11 GLN HB3 H 1 2.089 0.020 A 11 GLN HE21 H 1 7.712 0.020 A 11 GLN HE22 H 1 6.983 0.020 A 11 GLN HGy H 1 2.457 0.020 A 11 GLN HGx H 1 2.439 0.020 A 11 GLN CA C 13 59.044 0.3 A 11 GLN CB C 13 28.388 0.3 A 11 GLN CG C 13 33.469 0.3 A 11 GLN N N 15 121.388 0.3 A 11 GLN NE2 N 15 113.024 0.3 A 12 ASP H H 1 8.526 0.020 A 12 ASP HA H 1 4.525 0.020 A 12 ASP HBy H 1 2.595 0.020 A 12 ASP HBx H 1 2.555 0.020 A 12 ASP CA C 13 57.092 0.3 A 12 ASP CB C 13 41.411 0.3 A 12 ASP N N 15 118.523 0.3 A 13 LEU H H 1 7.756 0.020 A 13 LEU HA H 1 4.077 0.020 A 13 LEU HB2 H 1 1.696 0.020 A 13 LEU HB3 H 1 1.696 0.020 A 13 LEU HDx% H 1 0.924 0.020 A 13 LEU HDy% H 1 0.981 0.020 A 13 LEU HG H 1 1.555 0.020 A 13 LEU CA C 13 56.967 0.3 A 13 LEU CB C 13 42.065 0.3 A 13 LEU CD1 C 13 25.033 0.3 A 13 LEU CD2 C 13 24.180 0.3 A 13 LEU N N 15 122.336 0.3 A 14 ARG H H 1 8.425 0.020 A 14 ARG HA H 1 3.698 0.020 A 14 ARG HB2 H 1 1.911 0.020 A 14 ARG HB3 H 1 1.911 0.020 A 14 ARG HD2 H 1 3.119 0.020 A 14 ARG HD3 H 1 3.119 0.020 A 14 ARG HG2 H 1 1.801 0.020 A 14 ARG HG3 H 1 1.801 0.020 A 14 ARG CA C 13 60.617 0.3 A 14 ARG CB C 13 29.902 0.3 A 14 ARG CD C 13 41.879 0.3 A 14 ARG N N 15 119.375 0.3 A 15 LYS H H 1 7.762 0.020 A 15 LYS HA H 1 3.929 0.020 A 15 LYS HB2 H 1 1.824 0.020 A 15 LYS HB3 H 1 1.824 0.020 A 15 LYS HD2 H 1 1.280 0.020 A 15 LYS HD3 H 1 1.280 0.020 A 15 LYS HE2 H 1 3.149 0.020 A 15 LYS HE3 H 1 3.149 0.020 A 15 LYS CA C 13 59.686 0.3 A 15 LYS CB C 13 31.674 0.3 A 15 LYS N N 15 117.838 0.3 A 16 ARG H H 1 7.687 0.020 A 16 ARG HA H 1 4.063 0.020 A 16 ARG HB2 H 1 1.987 0.020 A 16 ARG HB3 H 1 1.987 0.020 A 16 ARG HD2 H 1 3.165 0.020 A 16 ARG HD3 H 1 3.165 0.020 A 16 ARG HG2 H 1 1.695 0.020 A 16 ARG HG3 H 1 1.695 0.020 A 16 ARG CA C 13 59.227 0.3 A 16 ARG CB C 13 30.820 0.3 A 16 ARG N N 15 118.550 0.3 A 17 ILE H H 1 8.315 0.020 A 17 ILE HA H 1 3.372 0.020 A 17 ILE HB H 1 2.015 0.020 A 17 ILE HD1% H 1 0.719 0.020 A 17 ILE HG12 H 1 0.878 0.020 A 17 ILE HG2% H 1 0.795 0.020 A 17 ILE CA C 13 66.086 0.3 A 17 ILE CB C 13 38.488 0.3 A 17 ILE CD1 C 13 14.832 0.3 A 17 ILE CG2 C 13 17.424 0.3 A 17 ILE N N 15 119.237 0.3 A 18 VAL H H 1 7.764 0.020 A 18 VAL HA H 1 3.225 0.020 A 18 VAL HB H 1 1.920 0.020 A 18 VAL HGx% H 1 0.734 0.020 A 18 VAL HGy% H 1 0.425 0.020 A 18 VAL CA C 13 67.051 0.3 A 18 VAL CB C 13 30.875 0.3 A 18 VAL CG1 C 13 21.654 0.3 A 18 VAL CG2 C 13 20.898 0.3 A 18 VAL N N 15 119.105 0.3 A 19 ASP H H 1 8.625 0.020 A 19 ASP HA H 1 4.471 0.020 A 19 ASP HBy H 1 2.730 0.020 A 19 ASP HBx H 1 2.550 0.020 A 19 ASP CA C 13 57.127 0.3 A 19 ASP CB C 13 40.311 0.3 A 19 ASP N N 15 120.318 0.3 A 20 LEU H H 1 8.158 0.020 A 20 LEU HA H 1 4.135 0.020 A 20 LEU HBy H 1 1.957 0.020 A 20 LEU HBx H 1 1.926 0.020 A 20 LEU HDx% H 1 0.900 0.020 A 20 LEU HDy% H 1 0.799 0.020 A 20 LEU HG H 1 1.279 0.020 A 20 LEU CA C 13 57.477 0.3 A 20 LEU CB C 13 42.787 0.3 A 20 LEU CD2 C 13 22.351 0.3 A 20 LEU N N 15 120.485 0.3 A 21 TYR H H 1 8.590 0.020 A 21 TYR HA H 1 4.266 0.020 A 21 TYR HBy H 1 3.019 0.020 A 21 TYR HBx H 1 2.863 0.020 A 21 TYR HD1 H 1 6.891 0.020 A 21 TYR HD2 H 1 6.891 0.020 A 21 TYR HE1 H 1 6.798 0.020 A 21 TYR HE2 H 1 6.798 0.020 A 21 TYR CA C 13 61.185 0.3 A 21 TYR CB C 13 38.866 0.3 A 21 TYR N N 15 123.434 0.3 A 22 LYS H H 1 9.116 0.020 A 22 LYS HA H 1 3.768 0.020 A 22 LYS HB2 H 1 1.929 0.020 A 22 LYS HB3 H 1 1.929 0.020 A 22 LYS HD2 H 1 1.422 0.020 A 22 LYS HD3 H 1 1.422 0.020 A 22 LYS HE2 H 1 3.155 0.020 A 22 LYS HE3 H 1 3.155 0.020 A 22 LYS HG2 H 1 1.630 0.020 A 22 LYS HG3 H 1 1.630 0.020 A 22 LYS CA C 13 59.500 0.3 A 22 LYS CB C 13 32.475 0.3 A 22 LYS CD C 13 28.934 0.3 A 22 LYS CG C 13 27.816 0.3 A 22 LYS N N 15 121.422 0.3 A 23 SER H H 1 7.544 0.020 A 23 SER HA H 1 4.447 0.020 A 23 SER HBy H 1 4.129 0.020 A 23 SER HBx H 1 3.830 0.020 A 23 SER CA C 13 58.468 0.3 A 23 SER CB C 13 64.003 0.3 A 23 SER N N 15 111.469 0.3 A 24 GLY H H 1 7.524 0.020 A 24 GLY HAy H 1 4.332 0.020 A 24 GLY HAx H 1 3.551 0.020 A 24 GLY CA C 13 45.214 0.3 A 24 GLY N N 15 108.170 0.3 A 25 SER H H 1 7.830 0.020 A 25 SER HA H 1 4.395 0.020 A 25 SER HBy H 1 3.630 0.020 A 25 SER HBx H 1 3.401 0.020 A 25 SER CA C 13 59.515 0.3 A 25 SER CB C 13 64.513 0.3 A 25 SER N N 15 117.882 0.3 A 26 SER H H 1 8.699 0.020 A 26 SER HA H 1 4.277 0.020 A 26 SER HB2 H 1 4.350 0.020 A 26 SER HB3 H 1 4.350 0.020 A 26 SER CA C 13 57.471 0.3 A 26 SER CB C 13 63.539 0.3 A 26 SER N N 15 120.586 0.3 A 27 LEU H H 1 8.966 0.020 A 27 LEU HA H 1 3.866 0.020 A 27 LEU HBy H 1 1.866 0.020 A 27 LEU HBx H 1 1.276 0.020 A 27 LEU HD1% H 1 0.818 0.020 A 27 LEU HD2% H 1 0.818 0.020 A 27 LEU HG H 1 1.485 0.020 A 27 LEU CA C 13 59.269 0.3 A 27 LEU CB C 13 41.361 0.3 A 27 LEU CD1 C 13 25.724 0.3 A 27 LEU CD2 C 13 24.952 0.3 A 27 LEU CG C 13 27.006 0.3 A 27 LEU N N 15 119.317 0.3 A 28 GLY H H 1 9.127 0.020 A 28 GLY HAy H 1 4.020 0.020 A 28 GLY HAx H 1 3.650 0.020 A 28 GLY CA C 13 46.727 0.3 A 28 GLY N N 15 106.692 0.3 A 29 ALA H H 1 8.039 0.020 A 29 ALA HA H 1 4.138 0.020 A 29 ALA HB% H 1 1.515 0.020 A 29 ALA CA C 13 55.016 0.3 A 29 ALA CB C 13 18.795 0.3 A 29 ALA N N 15 126.427 0.3 A 30 ILE H H 1 8.444 0.020 A 30 ILE HA H 1 3.692 0.020 A 30 ILE HB H 1 1.891 0.020 A 30 ILE HD1% H 1 0.756 0.020 A 30 ILE HG2% H 1 0.852 0.020 A 30 ILE CA C 13 65.880 0.3 A 30 ILE CB C 13 38.832 0.3 A 30 ILE CD1 C 13 13.262 0.3 A 30 ILE CG2 C 13 17.871 0.3 A 30 ILE N N 15 120.206 0.3 A 31 SER H H 1 7.947 0.020 A 31 SER HA H 1 4.218 0.020 A 31 SER HBy H 1 4.051 0.020 A 31 SER HBx H 1 3.902 0.020 A 31 SER CA C 13 60.617 0.3 A 31 SER CB C 13 64.003 0.3 A 31 SER N N 15 112.454 0.3 A 32 LYS H H 1 7.864 0.020 A 32 LYS HA H 1 4.063 0.020 A 32 LYS HB2 H 1 1.865 0.020 A 32 LYS HB3 H 1 1.865 0.020 A 32 LYS HD2 H 1 1.655 0.020 A 32 LYS HD3 H 1 1.655 0.020 A 32 LYS HE2 H 1 3.138 0.020 A 32 LYS HE3 H 1 3.138 0.020 A 32 LYS HG2 H 1 1.764 0.020 A 32 LYS HG3 H 1 1.764 0.020 A 32 LYS CA C 13 58.768 0.3 A 32 LYS CB C 13 32.748 0.3 A 32 LYS N N 15 118.236 0.3 A 33 ARG H H 1 8.257 0.020 A 33 ARG HA H 1 4.050 0.020 A 33 ARG HB2 H 1 1.782 0.020 A 33 ARG HB3 H 1 1.782 0.020 A 33 ARG HD2 H 1 3.155 0.020 A 33 ARG HD3 H 1 3.155 0.020 A 33 ARG HG2 H 1 1.668 0.020 A 33 ARG HG3 H 1 1.668 0.020 A 33 ARG CA C 13 58.119 0.3 A 33 ARG CB C 13 31.032 0.3 A 33 ARG CD C 13 43.069 0.3 A 33 ARG CG C 13 26.943 0.3 A 33 ARG N N 15 119.175 0.3 A 34 LEU H H 1 8.080 0.020 A 34 LEU HA H 1 4.355 0.020 A 34 LEU HB2 H 1 1.559 0.020 A 34 LEU HB3 H 1 1.559 0.020 A 34 LEU HDx% H 1 0.708 0.020 A 34 LEU HDy% H 1 0.731 0.020 A 34 LEU HG H 1 1.144 0.020 A 34 LEU CA C 13 53.790 0.3 A 34 LEU CB C 13 41.968 0.3 A 34 LEU CD1 C 13 27.223 0.3 A 34 LEU CD2 C 13 23.093 0.3 A 34 LEU N N 15 113.765 0.3 A 35 ALA H H 1 7.683 0.020 A 35 ALA HA H 1 4.049 0.020 A 35 ALA HB% H 1 1.368 0.020 A 35 ALA CA C 13 52.402 0.3 A 35 ALA CB C 13 16.631 0.3 A 35 ALA N N 15 122.186 0.3 A 36 VAL H H 1 7.626 0.020 A 36 VAL HA H 1 4.763 0.020 A 36 VAL HB H 1 1.696 0.020 A 36 VAL HGx% H 1 0.932 0.020 A 36 VAL HGy% H 1 0.785 0.020 A 36 VAL CA C 13 57.251 0.3 A 36 VAL CB C 13 35.547 0.3 A 36 VAL CG1 C 13 21.379 0.3 A 36 VAL CG2 C 13 20.347 0.3 A 36 VAL N N 15 115.146 0.3 A 37 PRO HA H 1 4.363 0.020 A 37 PRO HBy H 1 1.997 0.020 A 37 PRO HBx H 1 1.925 0.020 A 37 PRO HDy H 1 3.920 0.020 A 37 PRO HDx H 1 3.555 0.020 A 37 PRO HGy H 1 2.092 0.020 A 37 PRO HGx H 1 1.982 0.020 A 37 PRO CB C 13 32.882 0.3 A 37 PRO CD C 13 50.997 0.3 A 37 PRO CG C 13 27.303 0.3 A 38 ARG H H 1 9.276 0.020 A 38 ARG HA H 1 3.767 0.020 A 38 ARG HB2 H 1 1.861 0.020 A 38 ARG HB3 H 1 1.861 0.020 A 38 ARG HD2 H 1 3.135 0.020 A 38 ARG HD3 H 1 3.135 0.020 A 38 ARG HG2 H 1 1.689 0.020 A 38 ARG HG3 H 1 1.689 0.020 A 38 ARG CA C 13 60.222 0.3 A 38 ARG CB C 13 30.674 0.3 A 38 ARG CD C 13 43.119 0.3 A 38 ARG N N 15 127.430 0.3 A 39 SER H H 1 8.957 0.020 A 39 SER HA H 1 4.130 0.020 A 39 SER HB2 H 1 3.890 0.020 A 39 SER HB3 H 1 3.890 0.020 A 39 SER CA C 13 60.514 0.3 A 39 SER CB C 13 61.986 0.3 A 39 SER N N 15 112.851 0.3 A 40 SER H H 1 7.202 0.020 A 40 SER HA H 1 4.447 0.020 A 40 SER HBy H 1 3.979 0.020 A 40 SER HBx H 1 3.834 0.020 A 40 SER CA C 13 60.188 0.3 A 40 SER CB C 13 63.745 0.3 A 40 SER N N 15 119.089 0.3 A 41 VAL H H 1 7.633 0.020 A 41 VAL HA H 1 3.331 0.020 A 41 VAL HB H 1 2.265 0.020 A 41 VAL HG1% H 1 0.866 0.020 A 41 VAL HG2% H 1 0.866 0.020 A 41 VAL CA C 13 67.157 0.3 A 41 VAL CB C 13 34.650 0.3 A 41 VAL CG1 C 13 20.519 0.3 A 41 VAL CG2 C 13 19.556 0.3 A 41 VAL N N 15 121.914 0.3 A 42 GLN H H 1 8.666 0.020 A 42 GLN HA H 1 3.781 0.020 A 42 GLN HB2 H 1 2.076 0.020 A 42 GLN HB3 H 1 2.076 0.020 A 42 GLN HE21 H 1 7.542 0.020 A 42 GLN HE22 H 1 7.019 0.020 A 42 GLN HGy H 1 2.274 0.020 A 42 GLN HGx H 1 2.260 0.020 A 42 GLN CA C 13 59.362 0.3 A 42 GLN CB C 13 29.184 0.3 A 42 GLN CG C 13 33.601 0.3 A 42 GLN N N 15 117.211 0.3 A 42 GLN NE2 N 15 112.418 0.3 A 43 THR H H 1 7.819 0.020 A 43 THR HA H 1 4.049 0.020 A 43 THR HB H 1 3.845 0.020 A 43 THR HG2% H 1 1.233 0.020 A 43 THR CA C 13 64.573 0.3 A 43 THR CB C 13 67.116 0.3 A 43 THR CG2 C 13 21.847 0.3 A 43 THR N N 15 116.246 0.3 A 44 ILE H H 1 7.711 0.020 A 44 ILE HA H 1 3.660 0.020 A 44 ILE HB H 1 1.840 0.020 A 44 ILE HD1% H 1 0.756 0.020 A 44 ILE HG1y H 1 1.683 0.020 A 44 ILE HG1x H 1 1.410 0.020 A 44 ILE HG2% H 1 0.836 0.020 A 44 ILE CA C 13 64.088 0.3 A 44 ILE CB C 13 38.144 0.3 A 44 ILE CD1 C 13 12.299 0.3 A 44 ILE CG1 C 13 27.686 0.3 A 44 ILE CG2 C 13 17.768 0.3 A 44 ILE N N 15 122.280 0.3 A 45 VAL H H 1 8.325 0.020 A 45 VAL HA H 1 3.442 0.020 A 45 VAL HB H 1 1.783 0.020 A 45 VAL HGx% H 1 0.457 0.020 A 45 VAL HGy% H 1 0.237 0.020 A 45 VAL CA C 13 65.948 0.3 A 45 VAL CB C 13 30.380 0.3 A 45 VAL CG1 C 13 21.826 0.3 A 45 VAL CG2 C 13 20.072 0.3 A 45 VAL N N 15 118.962 0.3 A 46 ARG H H 1 8.121 0.020 A 46 ARG HA H 1 3.944 0.020 A 46 ARG HB2 H 1 1.918 0.020 A 46 ARG HB3 H 1 1.918 0.020 A 46 ARG HD2 H 1 3.054 0.020 A 46 ARG HD3 H 1 3.054 0.020 A 46 ARG HG2 H 1 1.692 0.020 A 46 ARG HG3 H 1 1.692 0.020 A 46 ARG CA C 13 59.243 0.3 A 46 ARG CB C 13 30.147 0.3 A 46 ARG CD C 13 43.087 0.3 A 46 ARG N N 15 119.977 0.3 A 47 LYS H H 1 7.883 0.020 A 47 LYS HA H 1 4.128 0.020 A 47 LYS HB2 H 1 1.867 0.020 A 47 LYS HB3 H 1 1.867 0.020 A 47 LYS CA C 13 58.598 0.3 A 47 LYS CB C 13 32.637 0.3 A 47 LYS N N 15 118.110 0.3 A 48 TYR H H 1 7.838 0.020 A 48 TYR HA H 1 4.299 0.020 A 48 TYR HBy H 1 3.143 0.020 A 48 TYR HBx H 1 3.090 0.020 A 48 TYR HD1 H 1 7.094 0.020 A 48 TYR HD2 H 1 7.094 0.020 A 48 TYR HE1 H 1 6.838 0.020 A 48 TYR HE2 H 1 6.838 0.020 A 48 TYR CA C 13 59.895 0.3 A 48 TYR CB C 13 38.522 0.3 A 48 TYR N N 15 120.056 0.3 A 49 LYS H H 1 8.178 0.020 A 49 LYS HA H 1 3.861 0.020 A 49 LYS HB2 H 1 1.878 0.020 A 49 LYS HB3 H 1 1.878 0.020 A 49 LYS HD2 H 1 1.660 0.020 A 49 LYS HD3 H 1 1.660 0.020 A 49 LYS HG2 H 1 1.349 0.020 A 49 LYS HG3 H 1 1.349 0.020 A 49 LYS CA C 13 58.149 0.3 A 49 LYS CB C 13 31.949 0.3 A 49 LYS CD C 13 29.389 0.3 A 49 LYS CG C 13 24.755 0.3 A 49 LYS N N 15 119.925 0.3 A 50 HIS H H 1 8.154 0.020 A 50 HIS HA H 1 4.611 0.020 A 50 HIS HB2 H 1 3.004 0.020 A 50 HIS HB3 H 1 3.004 0.020 A 50 HIS CA C 13 55.415 0.3 A 50 HIS CB C 13 29.891 0.3 A 50 HIS N N 15 116.746 0.3 A 51 HIS H H 1 8.572 0.020 A 51 HIS HA H 1 4.662 0.020 A 51 HIS HB2 H 1 3.252 0.020 A 51 HIS HB3 H 1 3.252 0.020 A 51 HIS CA C 13 55.062 0.3 A 51 HIS CB C 13 29.719 0.3 A 51 HIS N N 15 120.551 0.3 A 52 GLY H H 1 8.469 0.020 A 52 GLY HA2 H 1 4.016 0.020 A 52 GLY HA3 H 1 4.016 0.020 A 52 GLY CA C 13 45.352 0.3 A 52 GLY N N 15 110.066 0.3 A 53 THR H H 1 8.157 0.020 A 53 THR HA H 1 4.418 0.020 A 53 THR HB H 1 4.243 0.020 A 53 THR HG2% H 1 1.169 0.020 A 53 THR CA C 13 61.431 0.3 A 53 THR CB C 13 70.370 0.3 A 53 THR CG2 C 13 21.253 0.3 A 53 THR N N 15 113.554 0.3 A 54 THR H H 1 8.306 0.020 A 54 THR HA H 1 4.271 0.020 A 54 THR HB H 1 4.137 0.020 A 54 THR HG2% H 1 1.099 0.020 A 54 THR CA C 13 61.693 0.3 A 54 THR CB C 13 70.125 0.3 A 54 THR CG2 C 13 21.402 0.3 A 54 THR N N 15 116.777 0.3 A 55 GLN H H 1 8.452 0.020 A 55 GLN HA H 1 4.218 0.020 A 55 GLN HB2 H 1 1.864 0.020 A 55 GLN HB3 H 1 1.864 0.020 A 55 GLN HE21 H 1 7.550 0.020 A 55 GLN HE22 H 1 6.905 0.020 A 55 GLN HG2 H 1 2.230 0.020 A 55 GLN HG3 H 1 2.230 0.020 A 55 GLN CA C 13 55.974 0.3 A 55 GLN CB C 13 29.811 0.3 A 55 GLN CG C 13 33.371 0.3 A 55 GLN N N 15 123.060 0.3 A 55 GLN NE2 N 15 113.206 0.3 A 56 HIS H H 1 8.631 0.020 A 56 HIS HA H 1 4.593 0.020 A 56 HIS HB2 H 1 3.155 0.020 A 56 HIS HB3 H 1 3.155 0.020 A 56 HIS CA C 13 60.206 0.3 A 56 HIS CB C 13 29.791 0.3 A 56 HIS N N 15 124.124 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 4 GLY H A 4 GLY HA3 1.0 1.4 4.6 2 2 A 4 GLY H A 4 GLY HA2 1.0 1.4 4.6 3 3 A 4 GLY H A 3 MET HA 1.0 1.4 4.6 4 4 A 5 LYS HA A 5 LYS H 1.0 1.4 4.6 5 5 A 5 LYS H A 5 LYS HB2 1.0 1.4 5.6 6 5 A 5 LYS H A 5 LYS HB3 1.0 1.4 5.6 7 6 A 5 LYS H A 5 LYS HG2 1.0 1.4 5.6 8 6 A 5 LYS H A 5 LYS HG3 1.0 1.4 5.6 9 7 A 5 LYS H A 4 GLY HA2 1.0 1.4 4.6 10 7 A 5 LYS H A 4 GLY HA3 1.0 1.4 4.6 11 8 A 6 SER HA A 6 SER H 1.0 1.4 4.6 12 9 A 6 SER H A 6 SER HB3 1.0 1.4 4.6 13 9 A 6 SER H A 6 SER HB2 1.0 1.4 4.6 14 10 A 6 SER H A 6 SER HB2 1.0 1.4 5.6 15 11 A 6 SER HA A 5 LYS HB2 1.0 1.4 5.6 16 11 A 5 LYS HB3 A 6 SER HA 1.0 1.4 5.6 17 12 A 7 LYS HA A 7 LYS H 1.0 1.4 4.6 18 13 A 6 SER H A 7 LYS H 1.0 1.4 4.6 19 14 A 6 SER HA A 7 LYS H 1.0 1.4 4.6 20 15 A 7 LYS H A 6 SER HB3 1.0 1.4 5.6 21 15 A 6 SER HB2 A 7 LYS H 1.0 1.4 5.6 22 16 A 7 LYS H A 7 LYS HB2 1.0 1.4 5.6 23 16 A 7 LYS H A 7 LYS HB3 1.0 1.4 5.6 24 17 A 7 LYS H A 7 LYS HG2 1.0 1.4 5.6 25 17 A 7 LYS H A 7 LYS HG3 1.0 1.4 5.6 26 18 A 8 GLU HA A 8 GLU H 1.0 1.4 4.6 27 19 A 8 GLU H A 8 GLU HB2 1.0 1.4 5.6 28 19 A 8 GLU H A 8 GLU HB3 1.0 1.4 5.6 29 20 A 8 GLU H A 8 GLU HGy 1.0 1.4 5.6 30 20 A 8 GLU H A 8 GLU HGx 1.0 1.4 5.6 31 21 A 9 ILE HA A 9 ILE H 1.0 1.4 4.6 32 22 A 9 ILE H A 9 ILE HB 1.0 1.4 5.6 33 23 A 9 ILE H A 9 ILE HD1% 1.0 1.4 5.6 34 24 A 8 GLU H A 9 ILE H 1.0 1.4 4.6 35 25 A 8 GLU HA A 9 ILE H 1.0 1.4 4.6 36 26 A 10 SER HA A 10 SER H 1.0 1.4 4.6 37 27 A 10 SER H A 10 SER HB2 1.0 1.4 5.6 38 27 A 10 SER H A 10 SER HB3 1.0 1.4 5.6 39 28 A 9 ILE H A 10 SER H 1.0 1.4 4.6 40 29 A 9 ILE HA A 10 SER H 1.0 1.4 4.6 41 30 A 11 GLN HA A 11 GLN H 1.0 1.4 4.6 42 31 A 11 GLN H A 11 GLN HB2 1.0 1.4 5.6 43 31 A 11 GLN H A 11 GLN HB3 1.0 1.4 5.6 44 32 A 11 GLN H A 11 GLN HGy 1.0 1.4 5.6 45 32 A 11 GLN H A 11 GLN HGx 1.0 1.4 5.6 46 33 A 11 GLN H A 12 ASP H 1.0 1.4 4.6 47 34 A 10 SER HA A 11 GLN H 1.0 1.4 4.6 48 35 A 11 GLN H A 10 SER HB2 1.0 1.4 5.6 49 35 A 10 SER HB3 A 11 GLN H 1.0 1.4 5.6 50 36 A 9 ILE H A 11 GLN H 1.0 1.4 5.6 51 37 A 8 GLU HA A 11 GLN HB2 1.0 1.4 5.6 52 37 A 8 GLU HA A 11 GLN HB3 1.0 1.4 5.6 53 38 A 8 GLU HA A 11 GLN H 1.0 1.4 5.6 54 39 A 12 ASP H A 12 ASP HA 1.0 1.4 4.6 55 40 A 12 ASP H A 12 ASP HBy 1.0 1.4 5.6 56 40 A 12 ASP H A 12 ASP HBx 1.0 1.4 5.6 57 41 A 11 GLN H A 12 ASP H 1.0 1.4 4.6 58 42 A 11 GLN HA A 12 ASP H 1.0 1.4 4.6 59 43 A 12 ASP H A 11 GLN HB2 1.0 1.4 5.6 60 43 A 11 GLN HB3 A 12 ASP H 1.0 1.4 5.6 61 44 A 12 ASP H A 13 LEU H 1.0 1.4 4.6 62 45 A 9 ILE HA A 12 ASP H 1.0 1.4 5.6 63 46 A 9 ILE H A 12 ASP H 1.0 1.4 5.6 64 47 A 10 SER H A 12 ASP H 1.0 1.4 5.6 65 48 A 13 LEU H A 13 LEU HA 1.0 1.4 4.6 66 49 A 13 LEU H A 13 LEU HB2 1.0 1.4 5.6 67 49 A 13 LEU H A 13 LEU HB3 1.0 1.4 5.6 68 50 A 13 LEU HA A 13 LEU HB2 1.0 1.4 5.6 69 50 A 13 LEU HA A 13 LEU HB3 1.0 1.4 5.6 70 51 A 13 LEU HA A 13 LEU HG 1.0 1.4 5.6 71 52 A 13 LEU HA A 13 LEU HDx% 1.0 1.4 5.6 72 52 A 13 LEU HA A 13 LEU HDy% 1.0 1.4 5.6 73 53 A 12 ASP H A 13 LEU H 1.0 1.4 4.6 74 54 A 12 ASP HA A 13 LEU H 1.0 1.4 4.6 75 55 A 13 LEU H A 12 ASP HBy 1.0 1.4 5.6 76 55 A 12 ASP HBx A 13 LEU H 1.0 1.4 5.6 77 56 A 11 GLN H A 13 LEU H 1.0 1.4 5.6 78 57 A 14 ARG HA A 14 ARG H 1.0 1.4 4.6 79 58 A 14 ARG HA A 14 ARG HB2 1.0 1.4 5.6 80 58 A 14 ARG HA A 14 ARG HB3 1.0 1.4 5.6 81 59 A 14 ARG HA A 14 ARG HG2 1.0 1.4 5.6 82 59 A 14 ARG HA A 14 ARG HG3 1.0 1.4 5.6 83 60 A 14 ARG HA A 14 ARG HD2 1.0 1.4 5.6 84 60 A 14 ARG HA A 14 ARG HD3 1.0 1.4 5.6 85 61 A 13 LEU H A 14 ARG H 1.0 1.4 4.6 86 62 A 13 LEU HA A 14 ARG H 1.0 1.4 4.6 87 63 A 11 GLN HA A 14 ARG HB2 1.0 1.4 4.6 88 63 A 11 GLN HA A 14 ARG HB3 1.0 1.4 4.6 89 64 A 14 ARG H A 15 LYS H 1.0 1.4 4.6 90 65 A 17 ILE HG2% A 14 ARG HB2 1.0 1.4 5.6 91 65 A 14 ARG HB3 A 17 ILE HG2% 1.0 1.4 5.6 92 66 A 15 LYS H A 15 LYS HA 1.0 1.4 4.6 93 67 A 15 LYS H A 15 LYS HB2 1.0 1.4 5.6 94 67 A 15 LYS H A 15 LYS HB3 1.0 1.4 5.6 95 68 A 15 LYS HA A 15 LYS HB2 1.0 1.4 5.6 96 68 A 15 LYS HA A 15 LYS HB3 1.0 1.4 5.6 97 69 A 15 LYS HA A 15 LYS HD2 1.0 1.4 5.6 98 69 A 15 LYS HA A 15 LYS HD3 1.0 1.4 5.6 99 70 A 14 ARG H A 15 LYS H 1.0 1.4 4.6 100 71 A 14 ARG HA A 15 LYS H 1.0 1.4 4.6 101 72 A 15 LYS H A 16 ARG H 1.0 1.4 4.6 102 73 A 16 ARG H A 16 ARG HA 1.0 1.4 4.6 103 74 A 16 ARG H A 16 ARG HB2 1.0 1.4 5.6 104 74 A 16 ARG H A 16 ARG HB3 1.0 1.4 5.6 105 75 A 16 ARG HA A 16 ARG HG2 1.0 1.4 5.6 106 75 A 16 ARG HA A 16 ARG HG3 1.0 1.4 5.6 107 76 A 16 ARG HA A 16 ARG HB2 1.0 1.4 5.6 108 76 A 16 ARG HA A 16 ARG HB3 1.0 1.4 5.6 109 77 A 15 LYS H A 16 ARG H 1.0 1.4 4.6 110 78 A 15 LYS HA A 16 ARG H 1.0 1.4 4.6 111 79 A 13 LEU HA A 16 ARG HB2 1.0 1.4 5.1 112 79 A 13 LEU HA A 16 ARG HB3 1.0 1.4 5.1 113 80 A 17 ILE HA A 17 ILE H 1.0 1.4 4.6 114 81 A 17 ILE H A 17 ILE HB 1.0 1.4 4.6 115 82 A 17 ILE H A 17 ILE HG12 1.0 1.4 5.6 116 82 A 17 ILE H A 17 ILE HG1y 1.0 1.4 5.6 117 83 A 17 ILE HG2% A 17 ILE H 1.0 1.4 5.6 118 84 A 17 ILE H A 17 ILE HD1% 1.0 1.4 5.6 119 85 A 16 ARG H A 17 ILE H 1.0 1.4 4.6 120 86 A 16 ARG HA A 17 ILE H 1.0 1.4 4.6 121 87 A 17 ILE H A 16 ARG HB2 1.0 1.4 4.6 122 87 A 16 ARG HB3 A 17 ILE H 1.0 1.4 4.6 123 88 A 17 ILE H A 18 VAL H 1.0 1.4 4.6 124 89 A 14 ARG HA A 17 ILE HB 1.0 1.4 5.6 125 90 A 17 ILE HA A 17 ILE HG12 1.0 1.4 5.6 126 90 A 17 ILE HA A 17 ILE HG1y 1.0 1.4 5.6 127 91 A 17 ILE HG2% A 17 ILE HA 1.0 1.4 5.6 128 92 A 17 ILE HA A 17 ILE HD1% 1.0 1.4 5.6 129 93 A 13 LEU HG A 17 ILE HD1% 1.0 1.4 5.6 130 94 A 13 LEU HA A 17 ILE HD1% 1.0 1.4 5.6 131 95 A 14 ARG HA A 17 ILE HD1% 1.0 1.4 5.6 132 96 A 17 ILE HD1% A 13 LEU HDx% 1.0 1.4 5.6 133 96 A 13 LEU HDy% A 17 ILE HD1% 1.0 1.4 5.6 134 97 A 18 VAL H A 18 VAL HA 1.0 1.4 4.6 135 98 A 18 VAL H A 18 VAL HB 1.0 1.4 5.6 136 99 A 18 VAL H A 18 VAL HGy% 1.0 1.4 5.6 137 99 A 18 VAL H A 18 VAL HGx% 1.0 1.4 5.6 138 100 A 18 VAL HA A 18 VAL HB 1.0 1.4 5.6 139 101 A 18 VAL HA A 18 VAL HGy% 1.0 1.4 5.6 140 101 A 18 VAL HA A 18 VAL HGx% 1.0 1.4 5.6 141 102 A 17 ILE H A 18 VAL H 1.0 1.4 4.6 142 103 A 17 ILE HA A 18 VAL H 1.0 1.4 4.6 143 104 A 15 LYS HA A 18 VAL H 1.0 1.4 5.6 144 105 A 18 VAL H A 19 ASP H 1.0 1.4 5.6 145 106 A 14 ARG HA A 18 VAL H 1.0 1.4 5.6 146 107 A 16 ARG HA A 18 VAL H 1.0 1.4 5.6 147 108 A 15 LYS HA A 18 VAL HB 1.0 1.4 5.6 148 109 A 18 VAL HGx% A 45 VAL HGy% 1.0 1.4 5.6 149 109 A 18 VAL HGy% A 45 VAL HGy% 1.0 1.4 5.6 150 109 A 45 VAL HGx% A 18 VAL HGy% 1.0 1.4 5.6 151 109 A 18 VAL HGx% A 45 VAL HGx% 1.0 1.4 5.6 152 110 A 44 ILE HD1% A 18 VAL HGy% 1.0 1.4 6.1 153 110 A 18 VAL HGx% A 44 ILE HD1% 1.0 1.4 6.1 154 111 A 21 TYR HBy A 18 VAL HGy% 1.0 1.4 5.6 155 111 A 18 VAL HGx% A 21 TYR HBy 1.0 1.4 5.6 156 112 A 48 TYR HE% A 18 VAL HGy% 1.0 1.4 5.6 157 112 A 18 VAL HGx% A 48 TYR HE% 1.0 1.4 5.6 158 113 A 48 TYR HD% A 18 VAL HGy% 1.0 1.4 5.6 159 113 A 18 VAL HGx% A 48 TYR HD% 1.0 1.4 5.6 160 114 A 19 ASP H A 19 ASP HA 1.0 1.4 4.6 161 115 A 19 ASP H A 19 ASP HBy 1.0 1.4 5.6 162 115 A 19 ASP H A 19 ASP HBx 1.0 1.4 5.6 163 116 A 18 VAL H A 19 ASP H 1.0 1.4 4.6 164 117 A 48 TYR HD% A 19 ASP HA 1.0 1.4 5.6 165 118 A 19 ASP HA A 21 TYR HBy 1.0 1.4 5.6 166 119 A 16 ARG HA A 19 ASP HBy 1.0 1.4 4.6 167 119 A 16 ARG HA A 19 ASP HBx 1.0 1.4 4.6 168 120 A 20 LEU HA A 20 LEU H 1.0 1.4 4.6 169 121 A 20 LEU H A 20 LEU HBy 1.0 1.4 5.6 170 121 A 20 LEU H A 20 LEU HBx 1.0 1.4 5.6 171 122 A 20 LEU HA A 20 LEU HG 1.0 1.4 5.6 172 123 A 20 LEU HA A 20 LEU HDy% 1.0 1.4 5.6 173 123 A 20 LEU HA A 20 LEU HDx% 1.0 1.4 5.6 174 124 A 20 LEU HA A 20 LEU HBy 1.0 1.4 5.6 175 124 A 20 LEU HA A 20 LEU HBx 1.0 1.4 5.6 176 125 A 19 ASP H A 20 LEU H 1.0 1.4 4.6 177 126 A 19 ASP HA A 20 LEU H 1.0 1.4 4.6 178 127 A 17 ILE HA A 20 LEU H 1.0 1.4 4.6 179 128 A 17 ILE HA A 20 LEU HBy 1.0 1.4 4.6 180 128 A 17 ILE HA A 20 LEU HBx 1.0 1.4 4.6 181 129 A 20 LEU H A 22 LYS H 1.0 1.4 4.6 182 130 A 21 TYR HA A 21 TYR H 1.0 1.4 4.6 183 131 A 21 TYR H A 21 TYR HBx 1.0 1.4 5.6 184 132 A 21 TYR H A 21 TYR HBy 1.0 1.4 5.6 185 133 A 21 TYR H A 21 TYR HD% 1.0 1.4 5.6 186 134 A 21 TYR HD% A 21 TYR HBx 1.0 1.4 5.6 187 135 A 21 TYR HE% A 21 TYR HBy 1.0 1.4 5.6 188 136 A 21 TYR HA A 21 TYR HD% 1.0 1.4 5.6 189 137 A 21 TYR HA A 21 TYR HE% 1.0 1.4 5.6 190 138 A 20 LEU H A 21 TYR H 1.0 1.4 5.6 191 139 A 20 LEU HA A 21 TYR H 1.0 1.4 5.6 192 140 A 22 LYS H A 21 TYR H 1.0 1.4 5.6 193 141 A 18 VAL HA A 21 TYR HBx 1.0 1.4 5.6 194 141 A 18 VAL HA A 21 TYR HBy 1.0 1.4 5.6 195 142 A 17 ILE HG2% A 21 TYR HBx 1.0 1.4 5.6 196 142 A 17 ILE HG2% A 21 TYR HBy 1.0 1.4 5.6 197 143 A 45 VAL HGx% A 21 TYR HE% 1.0 1.4 5.6 198 144 A 21 TYR HE% A 45 VAL HGy% 1.0 1.4 5.6 199 145 A 45 VAL HGx% A 21 TYR HD% 1.0 1.4 5.6 200 146 A 21 TYR HD% A 45 VAL HGy% 1.0 1.4 5.6 201 147 A 18 VAL H A 21 TYR H 1.0 1.4 4.6 202 148 A 30 ILE HD1% A 21 TYR HBx 1.0 1.4 5.6 203 148 A 21 TYR HBy A 30 ILE HD1% 1.0 1.4 5.6 204 149 A 22 LYS H A 22 LYS HA 1.0 1.4 4.6 205 150 A 22 LYS HA A 22 LYS HB2 1.0 1.4 5.6 206 150 A 22 LYS HA A 22 LYS HB3 1.0 1.4 5.6 207 151 A 22 LYS HA A 22 LYS HG2 1.0 1.4 5.6 208 151 A 22 LYS HA A 22 LYS HG3 1.0 1.4 5.6 209 152 A 22 LYS HA A 22 LYS HD2 1.0 1.4 5.6 210 152 A 22 LYS HA A 22 LYS HD3 1.0 1.4 5.6 211 153 A 22 LYS H A 21 TYR H 1.0 1.4 5.6 212 154 A 22 LYS H A 21 TYR HA 1.0 1.4 5.6 213 155 A 22 LYS H A 21 TYR HBx 1.0 1.4 5.6 214 156 A 22 LYS H A 21 TYR HBy 1.0 1.4 5.6 215 157 A 20 LEU H A 22 LYS H 1.0 1.4 5.6 216 158 A 22 LYS H A 23 SER H 1.0 1.4 5.6 217 159 A 23 SER H A 23 SER HA 1.0 1.4 4.6 218 160 A 23 SER H A 23 SER HBx 1.0 1.4 5.6 219 161 A 23 SER H A 23 SER HBy 1.0 1.4 5.6 220 162 A 22 LYS H A 23 SER H 1.0 1.4 5.6 221 163 A 23 SER HA A 23 SER HBx 1.0 1.4 5.6 222 164 A 23 SER HA A 23 SER HBy 1.0 1.4 5.6 223 165 A 24 GLY HAx A 24 GLY H 1.0 1.4 4.6 224 166 A 24 GLY H A 24 GLY HAy 1.0 1.4 4.6 225 167 A 25 SER HA A 25 SER H 1.0 1.4 4.6 226 168 A 25 SER H A 25 SER HBx 1.0 1.4 5.6 227 168 A 25 SER H A 25 SER HBy 1.0 1.4 5.6 228 169 A 24 GLY H A 25 SER H 1.0 1.4 4.6 229 170 A 20 LEU HG A 25 SER HBx 1.0 1.4 5.6 230 170 A 20 LEU HG A 25 SER HBy 1.0 1.4 5.6 231 171 A 25 SER HBy A 20 LEU HDy% 1.0 1.4 5.6 232 171 A 20 LEU HDy% A 25 SER HBx 1.0 1.4 5.6 233 172 A 25 SER HBy A 20 LEU HBy 1.0 1.4 5.6 234 172 A 20 LEU HBy A 25 SER HBx 1.0 1.4 5.6 235 173 A 26 SER HA A 26 SER H 1.0 1.4 4.6 236 174 A 26 SER HA A 26 SER HB3 1.0 1.4 5.6 237 175 A 26 SER HA A 26 SER HB2 1.0 1.4 5.6 238 176 A 25 SER H A 26 SER H 1.0 1.4 4.6 239 177 A 25 SER HA A 26 SER H 1.0 1.4 4.6 240 178 A 27 LEU HA A 27 LEU H 1.0 1.4 4.6 241 179 A 27 LEU HA A 27 LEU HBy 1.0 1.4 5.6 242 179 A 27 LEU HA A 27 LEU HBx 1.0 1.4 5.6 243 180 A 27 LEU HA A 27 LEU HG 1.0 1.4 5.6 244 181 A 27 LEU HA A 27 LEU HD1% 1.0 1.4 5.6 245 181 A 27 LEU HA A 27 LEU HD2% 1.0 1.4 5.6 246 182 A 28 GLY H A 28 GLY HAx 1.0 1.4 4.6 247 183 A 28 GLY H A 28 GLY HAy 1.0 1.4 4.6 248 184 A 25 SER HA A 28 GLY H 1.0 1.4 5.6 249 185 A 26 SER HA A 28 GLY H 1.0 1.4 5.6 250 186 A 29 ALA HA A 29 ALA H 1.0 1.4 4.6 251 187 A 29 ALA H A 29 ALA HB% 1.0 1.4 5.6 252 188 A 28 GLY H A 29 ALA H 1.0 1.4 4.6 253 189 A 29 ALA H A 28 GLY HAx 1.0 1.4 4.6 254 190 A 29 ALA H A 28 GLY HAy 1.0 1.4 4.6 255 191 A 26 SER HA A 29 ALA H 1.0 1.4 5.6 256 192 A 28 GLY H A 29 ALA H 1.0 1.4 4.6 257 193 A 25 SER HA A 29 ALA HB% 1.0 1.4 5.6 258 194 A 25 SER HBy A 29 ALA HB% 1.0 1.4 5.6 259 195 A 30 ILE HA A 30 ILE H 1.0 1.4 4.6 260 196 A 30 ILE H A 30 ILE HB 1.0 1.4 5.6 261 197 A 30 ILE HD1% A 30 ILE HA 1.0 1.4 5.6 262 198 A 30 ILE HD1% A 30 ILE HB 1.0 1.4 5.6 263 199 A 30 ILE HD1% A 30 ILE HG2% 1.0 1.4 5.6 264 200 A 30 ILE H A 30 ILE HG2% 1.0 1.4 5.6 265 201 A 30 ILE HD1% A 30 ILE H 1.0 1.4 5.6 266 202 A 29 ALA H A 30 ILE H 1.0 1.4 4.6 267 203 A 29 ALA HA A 30 ILE H 1.0 1.4 4.6 268 204 A 28 GLY H A 30 ILE H 1.0 1.4 5.6 269 205 A 27 LEU HA A 30 ILE HB 1.0 1.4 5.6 270 206 A 27 LEU HA A 30 ILE H 1.0 1.4 5.6 271 207 A 30 ILE H A 28 GLY HAy 1.0 1.4 5.6 272 207 A 30 ILE H A 28 GLY HAx 1.0 1.4 5.6 273 208 A 20 LEU HG A 30 ILE HD1% 1.0 1.4 5.6 274 209 A 27 LEU HA A 30 ILE HB 1.0 1.4 5.6 275 210 A 31 SER HA A 31 SER H 1.0 1.4 4.6 276 211 A 31 SER H A 31 SER HBy 1.0 1.4 5.6 277 211 A 31 SER H A 31 SER HBx 1.0 1.4 5.6 278 212 A 30 ILE H A 31 SER H 1.0 1.4 4.6 279 213 A 30 ILE HA A 31 SER H 1.0 1.4 4.6 280 214 A 30 ILE HD1% A 31 SER H 1.0 1.4 5.6 281 215 A 31 SER H A 28 GLY HAy 1.0 1.4 5.6 282 215 A 28 GLY HAx A 31 SER H 1.0 1.4 5.6 283 216 A 27 LEU HD2% A 31 SER HBy 1.0 1.4 5.6 284 216 A 27 LEU HD1% A 31 SER HBy 1.0 1.4 5.6 285 216 A 31 SER HBx A 27 LEU HD1% 1.0 1.4 5.6 286 216 A 27 LEU HD2% A 31 SER HBx 1.0 1.4 5.6 287 217 A 32 LYS HA A 32 LYS H 1.0 1.4 4.6 288 218 A 32 LYS H A 32 LYS HB2 1.0 1.4 5.6 289 218 A 32 LYS H A 32 LYS HB3 1.0 1.4 5.6 290 219 A 32 LYS H A 32 LYS HG2 1.0 1.4 5.6 291 219 A 32 LYS H A 32 LYS HG3 1.0 1.4 5.6 292 220 A 31 SER H A 32 LYS H 1.0 1.4 4.6 293 221 A 31 SER HA A 32 LYS H 1.0 1.4 4.6 294 222 A 32 LYS H A 31 SER HBy 1.0 1.4 5.6 295 222 A 31 SER HBx A 32 LYS H 1.0 1.4 5.6 296 223 A 29 ALA HA A 32 LYS H 1.0 1.4 4.6 297 224 A 29 ALA HA A 32 LYS HB2 1.0 1.4 4.6 298 224 A 29 ALA HA A 32 LYS HB3 1.0 1.4 4.6 299 225 A 33 ARG HA A 33 ARG H 1.0 1.4 4.6 300 226 A 33 ARG H A 33 ARG HB2 1.0 1.4 5.6 301 226 A 33 ARG H A 33 ARG HB3 1.0 1.4 5.6 302 227 A 33 ARG H A 33 ARG HD2 1.0 1.4 5.6 303 227 A 33 ARG H A 33 ARG HD3 1.0 1.4 5.6 304 228 A 32 LYS H A 33 ARG H 1.0 1.4 4.6 305 229 A 32 LYS HA A 33 ARG H 1.0 1.4 4.6 306 230 A 30 ILE HA A 33 ARG H 1.0 1.4 5.6 307 231 A 30 ILE HA A 33 ARG HB2 1.0 1.4 5.6 308 231 A 30 ILE HA A 33 ARG HB3 1.0 1.4 5.6 309 232 A 33 ARG HA A 33 ARG HB2 1.0 1.4 5.6 310 232 A 33 ARG HA A 33 ARG HB3 1.0 1.4 5.6 311 233 A 33 ARG HA A 33 ARG HD2 1.0 1.4 5.6 312 233 A 33 ARG HA A 33 ARG HD3 1.0 1.4 5.6 313 234 A 33 ARG HA A 33 ARG HG2 1.0 1.4 5.6 314 234 A 33 ARG HA A 33 ARG HG3 1.0 1.4 5.6 315 235 A 33 ARG HD3 A 20 LEU HDy% 1.0 1.4 5.6 316 235 A 20 LEU HDy% A 33 ARG HD2 1.0 1.4 5.6 317 236 A 34 LEU HA A 34 LEU H 1.0 1.4 4.6 318 237 A 34 LEU H A 34 LEU HB2 1.0 1.4 5.6 319 237 A 34 LEU H A 34 LEU HB3 1.0 1.4 5.6 320 238 A 34 LEU H A 34 LEU HDy% 1.0 1.4 5.6 321 238 A 34 LEU H A 34 LEU HDx% 1.0 1.4 5.6 322 239 A 33 ARG HA A 34 LEU H 1.0 1.4 4.6 323 240 A 32 LYS HA A 34 LEU H 1.0 1.4 5.6 324 241 A 31 SER HA A 34 LEU HB2 1.0 1.4 5.6 325 241 A 31 SER HA A 34 LEU HB3 1.0 1.4 5.6 326 242 A 33 ARG H A 34 LEU H 1.0 1.4 5.6 327 243 A 33 ARG HD2 A 34 LEU HDy% 1.0 1.4 5.6 328 243 A 33 ARG HD3 A 34 LEU HDy% 1.0 1.4 5.6 329 244 A 34 LEU HDy% A 37 PRO HDx 1.0 1.4 5.6 330 245 A 37 PRO HBy A 34 LEU HDy% 1.0 1.4 5.6 331 246 A 35 ALA HA A 35 ALA H 1.0 1.4 4.6 332 247 A 35 ALA H A 35 ALA HB% 1.0 1.4 5.6 333 248 A 35 ALA HA A 35 ALA HB% 1.0 1.4 5.6 334 249 A 34 LEU H A 35 ALA H 1.0 1.4 4.6 335 250 A 34 LEU HA A 35 ALA H 1.0 1.4 4.6 336 251 A 33 ARG H A 35 ALA H 1.0 1.4 4.6 337 252 A 36 VAL HA A 36 VAL H 1.0 1.4 4.6 338 253 A 36 VAL H A 36 VAL HB 1.0 1.4 5.6 339 254 A 36 VAL H A 36 VAL HGx% 1.0 1.4 5.6 340 255 A 36 VAL H A 36 VAL HGy% 1.0 1.4 5.6 341 256 A 36 VAL HA A 36 VAL HB 1.0 1.4 4.6 342 257 A 35 ALA H A 36 VAL H 1.0 1.4 5.6 343 258 A 35 ALA HA A 36 VAL H 1.0 1.4 5.6 344 259 A 36 VAL H A 34 LEU HB2 1.0 1.4 5.6 345 259 A 34 LEU HB3 A 36 VAL H 1.0 1.4 5.6 346 260 A 34 LEU HA A 36 VAL H 1.0 1.4 4.6 347 261 A 35 ALA HB% A 36 VAL H 1.0 1.4 5.6 348 262 A 36 VAL HGx% A 37 PRO HDy 1.0 1.4 5.6 349 263 A 37 PRO HA A 37 PRO HDx 1.0 1.4 5.6 350 263 A 37 PRO HA A 37 PRO HDy 1.0 1.4 5.6 351 264 A 37 PRO HA A 37 PRO HBx 1.0 1.4 5.6 352 264 A 37 PRO HA A 37 PRO HBy 1.0 1.4 5.6 353 265 A 38 ARG HA A 38 ARG H 1.0 1.4 4.6 354 266 A 38 ARG H A 38 ARG HB2 1.0 1.4 5.6 355 266 A 38 ARG H A 38 ARG HB3 1.0 1.4 5.6 356 267 A 38 ARG H A 38 ARG HG2 1.0 1.4 5.6 357 267 A 38 ARG H A 38 ARG HG3 1.0 1.4 5.6 358 268 A 38 ARG H A 38 ARG HE 1.0 1.4 5.6 359 269 A 38 ARG H A 39 SER H 1.0 1.4 4.6 360 270 A 37 PRO HA A 38 ARG H 1.0 1.4 4.6 361 271 A 38 ARG H A 37 PRO HDx 1.0 1.4 5.6 362 271 A 37 PRO HDy A 38 ARG H 1.0 1.4 5.6 363 272 A 38 ARG HA A 38 ARG HB2 1.0 1.4 5.6 364 272 A 38 ARG HA A 38 ARG HB3 1.0 1.4 5.6 365 273 A 38 ARG HA A 38 ARG HG2 1.0 1.4 5.6 366 273 A 38 ARG HA A 38 ARG HG3 1.0 1.4 5.6 367 274 A 39 SER H A 39 SER HA 1.0 1.4 4.6 368 275 A 39 SER HA A 39 SER HB2 1.0 1.4 5.6 369 275 A 39 SER HA A 39 SER HB3 1.0 1.4 5.6 370 276 A 38 ARG H A 39 SER H 1.0 1.4 4.6 371 277 A 38 ARG HA A 39 SER H 1.0 1.4 5.6 372 278 A 38 ARG HE A 39 SER H 1.0 1.4 4.6 373 279 A 39 SER H A 40 SER H 1.0 1.4 4.6 374 280 A 39 SER H A 41 VAL H 1.0 1.4 4.6 375 281 A 40 SER H A 40 SER HA 1.0 1.4 4.6 376 282 A 40 SER H A 40 SER HBx 1.0 1.4 5.6 377 283 A 40 SER H A 40 SER HBy 1.0 1.4 5.6 378 284 A 39 SER H A 40 SER H 1.0 1.4 4.6 379 285 A 39 SER HA A 40 SER H 1.0 1.4 4.6 380 286 A 40 SER H A 41 VAL H 1.0 1.4 4.6 381 287 A 40 SER H A 42 GLN H 1.0 1.4 4.6 382 288 A 40 SER HA A 40 SER HBx 1.0 1.4 5.6 383 289 A 40 SER HA A 40 SER HBy 1.0 1.4 5.6 384 290 A 41 VAL H A 41 VAL HA 1.0 1.4 4.6 385 291 A 41 VAL H A 41 VAL HB 1.0 1.4 5.6 386 292 A 41 VAL H A 41 VAL HG1% 1.0 1.4 5.6 387 293 A 41 VAL H A 41 VAL HG2% 1.0 1.4 5.6 388 294 A 40 SER H A 41 VAL H 1.0 1.4 4.6 389 295 A 41 VAL H A 40 SER HA 1.0 1.4 4.6 390 296 A 41 VAL H A 40 SER HBx 1.0 1.4 5.6 391 297 A 41 VAL H A 40 SER HBy 1.0 1.4 5.6 392 298 A 41 VAL H A 42 GLN H 1.0 1.4 4.6 393 299 A 37 PRO HBy A 41 VAL HG2% 1.0 1.4 5.6 394 300 A 45 VAL HGx% A 41 VAL HB 1.0 1.4 5.6 395 301 A 41 VAL HG2% A 45 VAL HGy% 1.0 1.4 5.6 396 302 A 41 VAL HA A 41 VAL HG1% 1.0 1.4 5.6 397 303 A 41 VAL HA A 41 VAL HG2% 1.0 1.4 5.6 398 304 A 41 VAL HB A 38 ARG HB2 1.0 1.4 4.6 399 304 A 38 ARG HB3 A 41 VAL HB 1.0 1.4 4.6 400 305 A 42 GLN H A 42 GLN HA 1.0 1.4 4.6 401 306 A 42 GLN H A 42 GLN HB2 1.0 1.4 5.6 402 306 A 42 GLN H A 42 GLN HB3 1.0 1.4 5.6 403 307 A 42 GLN H A 42 GLN HGy 1.0 1.4 5.6 404 307 A 42 GLN H A 42 GLN HGx 1.0 1.4 5.6 405 308 A 41 VAL H A 42 GLN H 1.0 1.4 4.6 406 309 A 42 GLN H A 41 VAL HA 1.0 1.4 4.6 407 310 A 42 GLN H A 41 VAL HB 1.0 1.4 5.6 408 311 A 42 GLN H A 41 VAL HG2% 1.0 1.4 5.6 409 311 A 42 GLN H A 41 VAL HG1% 1.0 1.4 5.6 410 312 A 42 GLN HA A 41 VAL HG2% 1.0 1.4 5.6 411 312 A 42 GLN HA A 41 VAL HG1% 1.0 1.4 5.6 412 313 A 42 GLN H A 43 THR H 1.0 1.4 4.6 413 314 A 42 GLN H A 43 THR HB 1.0 1.4 5.6 414 315 A 40 SER HA A 42 GLN H 1.0 1.4 5.6 415 316 A 39 SER HA A 42 GLN H 1.0 1.4 4.6 416 317 A 39 SER HA A 42 GLN HB2 1.0 1.4 4.6 417 317 A 39 SER HA A 42 GLN HB3 1.0 1.4 4.6 418 318 A 42 GLN HA A 42 GLN HB2 1.0 1.4 5.6 419 318 A 42 GLN HA A 42 GLN HB3 1.0 1.4 5.6 420 319 A 42 GLN HA A 42 GLN HGy 1.0 1.4 5.6 421 319 A 42 GLN HA A 42 GLN HGx 1.0 1.4 5.6 422 320 A 43 THR H A 43 THR HA 1.0 1.4 4.6 423 321 A 43 THR H A 43 THR HB 1.0 1.4 5.6 424 322 A 43 THR H A 43 THR HG1 1.0 1.4 5.6 425 323 A 43 THR HB A 43 THR HA 1.0 1.4 5.6 426 324 A 43 THR HA A 43 THR HG1 1.0 1.4 5.6 427 325 A 42 GLN H A 43 THR H 1.0 1.4 4.6 428 326 A 42 GLN HA A 43 THR H 1.0 1.4 4.6 429 327 A 43 THR H A 42 GLN HB2 1.0 1.4 5.6 430 327 A 42 GLN HB3 A 43 THR H 1.0 1.4 5.6 431 328 A 40 SER H A 43 THR H 1.0 1.4 5.6 432 329 A 40 SER HA A 43 THR HB 1.0 1.4 5.6 433 330 A 39 SER HA A 43 THR HB 1.0 1.4 5.6 434 331 A 44 ILE HA A 44 ILE H 1.0 1.4 4.6 435 332 A 44 ILE H A 44 ILE HB 1.0 1.4 5.6 436 333 A 44 ILE HD1% A 44 ILE H 1.0 1.4 5.6 437 334 A 44 ILE H A 45 VAL H 1.0 1.4 4.6 438 335 A 43 THR HA A 44 ILE H 1.0 1.4 4.6 439 336 A 43 THR HB A 44 ILE H 1.0 1.4 5.6 440 337 A 43 THR HG1 A 44 ILE H 1.0 1.4 5.6 441 338 A 41 VAL HA A 44 ILE HB 1.0 1.4 4.6 442 339 A 41 VAL HA A 44 ILE H 1.0 1.4 5.6 443 340 A 44 ILE HB A 45 VAL HGy% 1.0 1.4 5.6 444 341 A 44 ILE HB A 44 ILE HG1x 1.0 1.4 5.6 445 341 A 44 ILE HB A 44 ILE HG1y 1.0 1.4 5.6 446 342 A 44 ILE HB A 44 ILE HG2% 1.0 1.4 5.6 447 343 A 44 ILE HD1% A 44 ILE HB 1.0 1.4 5.6 448 344 A 45 VAL H A 45 VAL HA 1.0 1.4 4.6 449 345 A 45 VAL H A 45 VAL HB 1.0 1.4 5.6 450 346 A 45 VAL HGx% A 45 VAL H 1.0 1.4 5.6 451 347 A 45 VAL H A 45 VAL HGy% 1.0 1.4 5.6 452 348 A 44 ILE H A 45 VAL H 1.0 1.4 4.6 453 349 A 44 ILE HA A 45 VAL H 1.0 1.4 4.6 454 350 A 44 ILE HB A 45 VAL H 1.0 1.4 5.6 455 351 A 44 ILE HD1% A 45 VAL H 1.0 1.4 5.6 456 352 A 42 GLN HA A 45 VAL H 1.0 1.4 5.6 457 353 A 18 VAL HB A 45 VAL HGy% 1.0 1.4 6.1 458 353 A 18 VAL HB A 45 VAL HGx% 1.0 1.4 6.1 459 354 A 42 GLN HA A 45 VAL HB 1.0 1.4 5.6 460 355 A 45 VAL HGx% A 42 GLN HA 1.0 1.4 5.6 461 356 A 45 VAL HGx% A 44 ILE HB 1.0 1.4 5.6 462 357 A 45 VAL HB A 48 TYR HBy 1.0 1.4 5.6 463 358 A 45 VAL HGx% A 44 ILE HG1y 1.0 1.4 5.6 464 358 A 44 ILE HG1y A 45 VAL HGy% 1.0 1.4 5.6 465 359 A 46 ARG HA A 46 ARG H 1.0 1.4 4.6 466 360 A 46 ARG H A 46 ARG HB2 1.0 1.4 5.6 467 360 A 46 ARG H A 46 ARG HB3 1.0 1.4 5.6 468 361 A 46 ARG H A 46 ARG HG2 1.0 1.4 5.6 469 361 A 46 ARG H A 46 ARG HG3 1.0 1.4 5.6 470 362 A 45 VAL H A 46 ARG H 1.0 1.4 4.6 471 363 A 45 VAL HA A 46 ARG H 1.0 1.4 4.6 472 364 A 46 ARG H A 45 VAL HGy% 1.0 1.4 5.6 473 364 A 45 VAL HGx% A 46 ARG H 1.0 1.4 5.6 474 365 A 43 THR HA A 46 ARG HB2 1.0 1.4 4.6 475 365 A 43 THR HA A 46 ARG HB3 1.0 1.4 4.6 476 366 A 46 ARG HA A 46 ARG HB2 1.0 1.4 5.6 477 366 A 46 ARG HA A 46 ARG HB3 1.0 1.4 5.6 478 367 A 46 ARG HA A 46 ARG HG2 1.0 1.4 5.6 479 367 A 46 ARG HA A 46 ARG HG3 1.0 1.4 5.6 480 368 A 46 ARG HD2 A 46 ARG HG2 1.0 1.4 5.6 481 368 A 46 ARG HD3 A 46 ARG HG2 1.0 1.4 5.6 482 368 A 46 ARG HG3 A 46 ARG HD2 1.0 1.4 5.6 483 368 A 46 ARG HG3 A 46 ARG HD3 1.0 1.4 5.6 484 369 A 47 LYS HA A 47 LYS H 1.0 1.4 4.6 485 370 A 47 LYS H A 47 LYS HB2 1.0 1.4 5.6 486 370 A 47 LYS H A 47 LYS HB3 1.0 1.4 5.6 487 371 A 46 ARG H A 47 LYS H 1.0 1.4 4.6 488 372 A 46 ARG HA A 47 LYS H 1.0 1.4 4.6 489 373 A 44 ILE HA A 47 LYS H 1.0 1.4 4.6 490 374 A 44 ILE HA A 47 LYS HB2 1.0 1.4 4.6 491 374 A 44 ILE HA A 47 LYS HB3 1.0 1.4 4.6 492 375 A 47 LYS HA A 47 LYS HB2 1.0 1.4 5.6 493 375 A 47 LYS HA A 47 LYS HB3 1.0 1.4 5.6 494 376 A 47 LYS HA A 47 LYS HGx 1.0 1.4 5.6 495 376 A 47 LYS HA A 47 LYS HGy 1.0 1.4 5.6 496 377 A 48 TYR HA A 48 TYR H 1.0 1.4 4.6 497 378 A 48 TYR H A 48 TYR HBx 1.0 1.4 5.6 498 378 A 48 TYR H A 48 TYR HBy 1.0 1.4 5.6 499 379 A 48 TYR HD% A 48 TYR H 1.0 1.4 5.6 500 380 A 48 TYR HE% A 48 TYR H 1.0 1.4 5.6 501 381 A 48 TYR H A 49 LYS H 1.0 1.4 4.6 502 382 A 48 TYR HD% A 48 TYR HA 1.0 1.4 5.6 503 383 A 48 TYR HE% A 48 TYR HA 1.0 1.4 5.6 504 384 A 48 TYR HD% A 48 TYR HBx 1.0 1.4 5.6 505 384 A 48 TYR HD% A 48 TYR HBy 1.0 1.4 5.6 506 385 A 48 TYR HE% A 48 TYR HBx 1.0 1.4 5.6 507 385 A 48 TYR HE% A 48 TYR HBy 1.0 1.4 5.6 508 386 A 48 TYR HD% A 21 TYR HBx 1.0 1.4 6.1 509 387 A 48 TYR HE% A 21 TYR HBy 1.0 1.4 6.1 510 388 A 48 TYR HE% A 21 TYR HBy 1.0 1.4 6.1 511 389 A 48 TYR HD% A 18 VAL HGy% 1.0 1.4 6.1 512 390 A 48 TYR HE% A 18 VAL HGy% 1.0 1.4 6.1 513 391 A 47 LYS H A 48 TYR H 1.0 1.4 4.6 514 392 A 47 LYS HA A 48 TYR H 1.0 1.4 4.6 515 393 A 48 TYR H A 47 LYS HB2 1.0 1.4 5.6 516 393 A 47 LYS HB3 A 48 TYR H 1.0 1.4 5.6 517 394 A 45 VAL HA A 48 TYR H 1.0 1.4 4.6 518 395 A 45 VAL HA A 48 TYR HBx 1.0 1.4 4.6 519 395 A 45 VAL HA A 48 TYR HBy 1.0 1.4 4.6 520 396 A 46 ARG HA A 48 TYR H 1.0 1.4 5.6 521 397 A 18 VAL HGx% A 48 TYR HE% 1.0 1.4 6.1 522 398 A 48 TYR HE% A 18 VAL HGy% 1.0 1.4 6.1 523 399 A 49 LYS H A 49 LYS HA 1.0 1.4 4.6 524 400 A 49 LYS H A 49 LYS HB2 1.0 1.4 5.6 525 400 A 49 LYS H A 49 LYS HB3 1.0 1.4 5.6 526 401 A 49 LYS H A 49 LYS HG2 1.0 1.4 5.6 527 401 A 49 LYS H A 49 LYS HG3 1.0 1.4 5.6 528 402 A 49 LYS H A 49 LYS HD2 1.0 1.4 5.6 529 402 A 49 LYS H A 49 LYS HD3 1.0 1.4 5.6 530 403 A 48 TYR H A 49 LYS H 1.0 1.4 4.6 531 404 A 48 TYR HA A 49 LYS H 1.0 1.4 4.6 532 405 A 49 LYS H A 48 TYR HBx 1.0 1.4 5.6 533 405 A 48 TYR HBy A 49 LYS H 1.0 1.4 5.6 534 406 A 49 LYS H A 50 HIS H 1.0 1.4 4.6 535 407 A 48 TYR HD% A 49 LYS H 1.0 1.4 5.6 536 408 A 47 LYS HA A 49 LYS H 1.0 1.4 5.6 537 409 A 45 VAL HA A 49 LYS H 1.0 1.4 5.6 538 410 A 46 ARG HA A 49 LYS HB2 1.0 1.4 4.6 539 410 A 46 ARG HA A 49 LYS HB3 1.0 1.4 4.6 540 411 A 49 LYS HB2 A 49 LYS HG2 1.0 1.4 5.6 541 411 A 49 LYS HB3 A 49 LYS HG2 1.0 1.4 5.6 542 411 A 49 LYS HG3 A 49 LYS HB2 1.0 1.4 5.6 543 411 A 49 LYS HB3 A 49 LYS HG3 1.0 1.4 5.6 544 412 A 49 LYS HB2 A 49 LYS HD2 1.0 1.4 5.6 545 412 A 49 LYS HB3 A 49 LYS HD2 1.0 1.4 5.6 546 412 A 49 LYS HD3 A 49 LYS HB2 1.0 1.4 5.6 547 412 A 49 LYS HB3 A 49 LYS HD3 1.0 1.4 5.6 548 413 A 50 HIS H A 50 HIS HA 1.0 1.4 4.6 549 414 A 50 HIS H A 50 HIS HB2 1.0 1.4 5.6 550 414 A 50 HIS H A 50 HIS HB3 1.0 1.4 5.6 551 415 A 49 LYS H A 50 HIS H 1.0 1.4 4.6 552 416 A 49 LYS HA A 50 HIS H 1.0 1.4 4.6 553 417 A 50 HIS H A 49 LYS HB2 1.0 1.4 5.6 554 417 A 49 LYS HB3 A 50 HIS H 1.0 1.4 5.6 555 418 A 47 LYS HA A 50 HIS H 1.0 1.4 5.6 556 419 A 48 TYR HA A 50 HIS H 1.0 1.4 5.6 557 420 A 48 TYR H A 50 HIS H 1.0 1.4 5.6 558 421 A 47 LYS HA A 50 HIS HB2 1.0 1.4 4.6 559 421 A 47 LYS HA A 50 HIS HB3 1.0 1.4 4.6 560 422 A 50 HIS HA A 50 HIS HB2 1.0 1.4 5.6 561 422 A 50 HIS HA A 50 HIS HB3 1.0 1.4 5.6 562 423 A 51 HIS HA A 51 HIS H 1.0 1.4 4.6 563 424 A 51 HIS H A 51 HIS HB2 1.0 1.4 5.6 564 424 A 51 HIS H A 51 HIS HB3 1.0 1.4 5.6 565 425 A 51 HIS H A 52 GLY H 1.0 1.4 4.6 566 426 A 48 TYR HA A 51 HIS H 1.0 1.4 5.6 567 427 A 48 TYR H A 51 HIS H 1.0 1.4 5.6 568 428 A 49 LYS HA A 51 HIS H 1.0 1.4 5.6 569 429 A 51 HIS HA A 51 HIS HB2 1.0 1.4 5.6 570 429 A 51 HIS HA A 51 HIS HB3 1.0 1.4 5.6 571 430 A 52 GLY H A 52 GLY HA2 1.0 1.4 4.6 572 430 A 52 GLY H A 52 GLY HA3 1.0 1.4 4.6 573 431 A 51 HIS H A 52 GLY H 1.0 1.4 4.6 574 432 A 51 HIS HA A 52 GLY H 1.0 1.4 4.6 575 433 A 52 GLY H A 51 HIS HB2 1.0 1.4 4.6 576 433 A 51 HIS HB3 A 52 GLY H 1.0 1.4 4.6 577 434 A 52 GLY H A 53 THR H 1.0 1.4 4.6 578 435 A 49 LYS HA A 52 GLY H 1.0 1.4 5.6 579 436 A 48 TYR HA A 52 GLY H 1.0 1.4 5.6 580 437 A 53 THR H A 53 THR HA 1.0 1.4 4.6 581 438 A 53 THR H A 53 THR HB 1.0 1.4 5.6 582 439 A 53 THR H A 53 THR HG1 1.0 1.4 5.6 583 440 A 52 GLY H A 53 THR H 1.0 1.4 4.6 584 441 A 53 THR H A 52 GLY HA2 1.0 1.4 5.6 585 441 A 52 GLY HA3 A 53 THR H 1.0 1.4 5.6 586 442 A 50 HIS HA A 53 THR H 1.0 1.4 5.6 587 443 A 50 HIS HA A 53 THR HB 1.0 1.4 5.6 588 444 A 51 HIS HA A 53 THR H 1.0 1.4 5.6 589 445 A 53 THR HA A 53 THR HB 1.0 1.4 5.6 590 446 A 53 THR HA A 53 THR HG1 1.0 1.4 5.6 591 447 A 54 THR HA A 54 THR H 1.0 1.4 4.6 592 448 A 54 THR H A 54 THR HB 1.0 1.4 5.6 593 449 A 54 THR H A 54 THR HG1 1.0 1.4 5.6 594 450 A 53 THR H A 54 THR H 1.0 1.4 4.6 595 451 A 53 THR HA A 54 THR H 1.0 1.4 4.6 596 452 A 53 THR HB A 54 THR H 1.0 1.4 5.6 597 453 A 51 HIS HA A 54 THR H 1.0 1.4 5.6 598 454 A 50 HIS HA A 54 THR H 1.0 1.4 5.6 599 455 A 51 HIS HA A 54 THR HB 1.0 1.4 5.6 600 456 A 54 THR HA A 54 THR HB 1.0 1.4 5.6 601 457 A 54 THR HA A 54 THR HG1 1.0 1.4 5.6 602 458 A 55 GLN HA A 55 GLN H 1.0 1.4 4.6 603 459 A 55 GLN H A 55 GLN HB2 1.0 1.4 5.6 604 459 A 55 GLN H A 55 GLN HB3 1.0 1.4 5.6 605 460 A 55 GLN H A 55 GLN HG2 1.0 1.4 5.6 606 460 A 55 GLN H A 55 GLN HG3 1.0 1.4 5.6 607 461 A 52 GLY HA2 A 55 GLN HB2 1.0 1.4 5.6 608 461 A 52 GLY HA3 A 55 GLN HB2 1.0 1.4 5.6 609 461 A 55 GLN HB3 A 52 GLY HA2 1.0 1.4 5.6 610 461 A 52 GLY HA3 A 55 GLN HB3 1.0 1.4 5.6 611 462 A 54 THR H A 55 GLN H 1.0 1.4 4.6 612 463 A 54 THR HA A 55 GLN H 1.0 1.4 4.6 613 464 A 55 GLN HA A 55 GLN HB2 1.0 1.4 5.6 614 464 A 55 GLN HA A 55 GLN HB3 1.0 1.4 5.6 615 465 A 55 GLN HA A 55 GLN HG2 1.0 1.4 5.6 616 465 A 55 GLN HA A 55 GLN HG3 1.0 1.4 5.6 617 466 A 55 GLN HE21 A 55 GLN HE22 1.0 1.4 4.6 618 467 A 55 GLN HE21 A 55 GLN HE22 1.0 1.4 4.6 619 468 A 56 HIS HA A 56 HIS H 1.0 1.4 4.6 620 469 A 56 HIS H A 56 HIS HB2 1.0 1.4 4.6 621 469 A 56 HIS H A 56 HIS HB3 1.0 1.4 4.6 622 470 A 55 GLN HA A 56 HIS H 1.0 1.4 4.6 623 471 A 55 GLN H A 56 HIS H 1.0 1.4 4.6 624 472 A 56 HIS H A 55 GLN HB2 1.0 1.4 5.6 625 472 A 55 GLN HB3 A 56 HIS H 1.0 1.4 5.6 626 473 A 56 HIS HA A 55 GLN HB2 1.0 1.4 5.6 627 473 A 55 GLN HB3 A 56 HIS HA 1.0 1.4 5.6 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin hbond _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 15 LYS H A 11 GLN O 1.0 1.8 2.7 2 2 A 11 GLN O A 15 LYS N 1.0 2.5 3.5 3 3 A 16 ARG H A 12 ASP O 1.0 1.8 2.7 4 4 A 12 ASP O A 16 ARG N 1.0 2.5 3.5 5 5 A 17 ILE H A 13 LEU O 1.0 1.8 2.7 6 6 A 13 LEU O A 17 ILE N 1.0 2.5 3.5 7 7 A 18 VAL H A 14 ARG O 1.0 1.8 2.7 8 8 A 14 ARG O A 18 VAL N 1.0 2.5 3.5 9 9 A 19 ASP H A 15 LYS O 1.0 1.8 2.7 10 10 A 15 LYS O A 19 ASP N 1.0 2.5 3.5 11 11 A 20 LEU H A 16 ARG O 1.0 1.8 2.7 12 12 A 16 ARG O A 20 LEU N 1.0 2.5 3.5 13 13 A 21 TYR H A 17 ILE O 1.0 1.8 2.7 14 14 A 17 ILE O A 21 TYR N 1.0 2.5 3.5 15 15 A 22 LYS H A 18 VAL O 1.0 1.8 2.7 16 16 A 18 VAL O A 22 LYS N 1.0 2.5 3.5 17 17 A 23 SER H A 19 ASP O 1.0 1.8 2.7 18 18 A 19 ASP O A 23 SER N 1.0 2.5 3.5 19 19 A 24 GLY H A 20 LEU O 1.0 1.8 2.7 20 20 A 20 LEU O A 24 GLY N 1.0 2.5 3.5 21 21 A 30 ILE H A 26 SER O 1.0 1.8 2.7 22 22 A 26 SER O A 30 ILE N 1.0 2.5 3.5 23 23 A 31 SER H A 27 LEU O 1.0 1.8 2.7 24 24 A 27 LEU O A 31 SER N 1.0 2.5 3.5 25 25 A 32 LYS H A 28 GLY O 1.0 1.8 2.7 26 26 A 28 GLY O A 32 LYS N 1.0 2.5 3.5 27 27 A 33 ARG H A 29 ALA O 1.0 1.8 2.7 28 28 A 29 ALA O A 33 ARG N 1.0 2.5 3.5 29 29 A 34 LEU H A 30 ILE O 1.0 1.8 2.7 30 30 A 30 ILE O A 34 LEU N 1.0 2.5 3.5 31 31 A 35 ALA H A 31 SER O 1.0 1.8 2.7 32 32 A 31 SER O A 35 ALA N 1.0 2.5 3.5 33 33 A 41 VAL H A 37 PRO O 1.0 1.8 2.7 34 34 A 37 PRO O A 41 VAL N 1.0 2.5 3.5 35 35 A 42 GLN H A 38 ARG O 1.0 1.8 2.7 36 36 A 38 ARG O A 42 GLN N 1.0 2.5 3.5 37 37 A 43 THR H A 39 SER O 1.0 1.8 2.7 38 38 A 39 SER O A 43 THR N 1.0 2.5 3.5 39 39 A 44 ILE H A 40 SER O 1.0 1.8 2.7 40 40 A 40 SER O A 44 ILE N 1.0 2.5 3.5 41 41 A 45 VAL H A 41 VAL O 1.0 1.8 2.7 42 42 A 41 VAL O A 45 VAL N 1.0 2.5 3.5 43 43 A 46 ARG H A 42 GLN O 1.0 1.8 2.7 44 44 A 42 GLN O A 46 ARG N 1.0 2.5 3.5 45 45 A 47 LYS H A 43 THR O 1.0 1.8 2.7 46 46 A 43 THR O A 47 LYS N 1.0 2.5 3.5 47 47 A 48 TYR H A 44 ILE O 1.0 1.8 2.7 48 48 A 44 ILE O A 48 TYR N 1.0 2.5 3.5 49 49 A 49 LYS H A 45 VAL O 1.0 1.8 2.7 50 50 A 45 VAL O A 49 LYS N 1.0 2.5 3.5 51 51 A 50 HIS H A 46 ARG O 1.0 1.8 2.7 52 52 A 46 ARG O A 50 HIS N 1.0 2.5 3.5 53 53 A 51 HIS H A 47 LYS O 1.0 1.8 2.7 54 54 A 47 LYS O A 51 HIS N 1.0 2.5 3.5 55 55 A 52 GLY H A 48 TYR O 1.0 1.8 2.7 56 56 A 48 TYR O A 52 GLY N 1.0 2.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_2 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_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 9 ILE C A 10 SER N A 10 SER CA A 10 SER C 1.0 -100.0 -40.0 PHI 2 2 A 10 SER C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -94.0 -34.0 PHI 3 3 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 ASP N 1.0 -71.0 -11.0 PSI 4 4 A 11 GLN C A 12 ASP N A 12 ASP CA A 12 ASP C 1.0 -94.4 -34.4 PHI 5 5 A 12 ASP N A 12 ASP CA A 12 ASP C A 13 LEU N 1.0 -71.0 -11.0 PSI 6 6 A 12 ASP C A 13 LEU N A 13 LEU CA A 13 LEU C 1.0 -94.2 -34.2 PHI 7 7 A 13 LEU N A 13 LEU CA A 13 LEU C A 14 ARG N 1.0 -71.0 -11.0 PSI 8 8 A 13 LEU C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -94.0 -34.0 PHI 9 9 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LYS N 1.0 -71.0 -11.0 PSI 10 10 A 14 ARG C A 15 LYS N A 15 LYS CA A 15 LYS C 1.0 -88.2 -28.2 PHI 11 11 A 15 LYS N A 15 LYS CA A 15 LYS C A 16 ARG N 1.0 -72.2 -12.2 PSI 12 12 A 15 LYS C A 16 ARG N A 16 ARG CA A 16 ARG C 1.0 -92.9 -32.9 PHI 13 13 A 16 ARG N A 16 ARG CA A 16 ARG C A 17 ILE N 1.0 -72.6 -12.6 PSI 14 14 A 16 ARG C A 17 ILE N A 17 ILE CA A 17 ILE C 1.0 -92.3 -32.3 PHI 15 15 A 17 ILE N A 17 ILE CA A 17 ILE C A 18 VAL N 1.0 -77.0 -17.0 PSI 16 16 A 17 ILE C A 18 VAL N A 18 VAL CA A 18 VAL C 1.0 -92.5 -32.5 PHI 17 17 A 18 VAL N A 18 VAL CA A 18 VAL C A 19 ASP N 1.0 -72.6 -10.6 PSI 18 18 A 18 VAL C A 19 ASP N A 19 ASP CA A 19 ASP C 1.0 -94.0 -34.0 PHI 19 19 A 19 ASP N A 19 ASP CA A 19 ASP C A 20 LEU N 1.0 -74.7 -14.7 PSI 20 20 A 19 ASP C A 20 LEU N A 20 LEU CA A 20 LEU C 1.0 -94.0 -34.0 PHI 21 21 A 20 LEU N A 20 LEU CA A 20 LEU C A 21 TYR N 1.0 -71.0 -11.0 PSI 22 22 A 20 LEU C A 21 TYR N A 21 TYR CA A 21 TYR C 1.0 -94.1 -34.1 PHI 23 23 A 21 TYR N A 21 TYR CA A 21 TYR C A 22 LYS N 1.0 -72.9 -12.9 PSI 24 24 A 21 TYR C A 22 LYS N A 22 LYS CA A 22 LYS C 1.0 -98.5 -31.1 PHI 25 25 A 22 LYS N A 22 LYS CA A 22 LYS C A 23 SER N 1.0 -76.0 -6.0 PSI 26 26 A 28 GLY C A 29 ALA N A 29 ALA CA A 29 ALA C 1.0 -94.9 -34.9 PHI 27 27 A 29 ALA N A 29 ALA CA A 29 ALA C A 30 ILE N 1.0 -70.8 -10.8 PSI 28 28 A 29 ALA C A 30 ILE N A 30 ILE CA A 30 ILE C 1.0 -94.0 -34.0 PHI 29 29 A 30 ILE N A 30 ILE CA A 30 ILE C A 31 SER N 1.0 -71.0 -11.0 PSI 30 30 A 30 ILE C A 31 SER N A 31 SER CA A 31 SER C 1.0 -94.0 -34.0 PHI 31 31 A 31 SER N A 31 SER CA A 31 SER C A 32 LYS N 1.0 -70.1 -10.1 PSI 32 32 A 31 SER C A 32 LYS N A 32 LYS CA A 32 LYS C 1.0 -100.8 -28.8 PHI 33 33 A 32 LYS N A 32 LYS CA A 32 LYS C A 33 ARG N 1.0 -78.0 -3.6 PSI 34 34 A 32 LYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -98.5 -32.1 PHI 35 35 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 LEU N 1.0 -70.1 -10.1 PSI 36 36 A 38 ARG C A 39 SER N A 39 SER CA A 39 SER C 1.0 -94.1 -33.9 PHI 37 37 A 39 SER N A 39 SER CA A 39 SER C A 40 SER N 1.0 -84.8 1.0 PSI 38 38 A 39 SER C A 40 SER N A 40 SER CA A 40 SER C 1.0 -94.0 -34.0 PHI 39 39 A 40 SER N A 40 SER CA A 40 SER C A 41 VAL N 1.0 -71.9 -11.9 PSI 40 40 A 40 SER C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -94.9 -34.9 PHI 41 41 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 GLN N 1.0 -71.8 -11.8 PSI 42 42 A 41 VAL C A 42 GLN N A 42 GLN CA A 42 GLN C 1.0 -94.0 -34.0 PHI 43 43 A 42 GLN N A 42 GLN CA A 42 GLN C A 43 THR N 1.0 -71.6 -11.6 PSI 44 44 A 42 GLN C A 43 THR N A 43 THR CA A 43 THR C 1.0 -94.0 -34.0 PHI 45 45 A 43 THR N A 43 THR CA A 43 THR C A 44 ILE N 1.0 -77.3 -4.7 PSI 46 46 A 43 THR C A 44 ILE N A 44 ILE CA A 44 ILE C 1.0 -93.9 -33.9 PHI 47 47 A 44 ILE N A 44 ILE CA A 44 ILE C A 45 VAL N 1.0 -72.8 -12.8 PSI 48 48 A 44 ILE C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -94.7 -34.7 PHI 49 49 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 ARG N 1.0 -71.6 -11.6 PSI 50 50 A 45 VAL C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -93.5 -33.5 PHI 51 51 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 LYS N 1.0 -73.2 -13.2 PSI 52 52 A 46 ARG C A 47 LYS N A 47 LYS CA A 47 LYS C 1.0 -93.6 -33.6 PHI 53 53 A 47 LYS N A 47 LYS CA A 47 LYS C A 48 TYR N 1.0 -83.6 0.2 PSI 54 54 A 47 LYS C A 48 TYR N A 48 TYR CA A 48 TYR C 1.0 -94.5 -34.5 PHI 55 55 A 48 TYR N A 48 TYR CA A 48 TYR C A 49 LYS N 1.0 -71.2 -11.2 PSI 56 56 A 48 TYR C A 49 LYS N A 49 LYS CA A 49 LYS C 1.0 -94.3 -34.3 PHI 57 57 A 49 LYS N A 49 LYS CA A 49 LYS C A 50 HIS N 1.0 -71.4 -11.4 PSI 58 58 A 49 LYS C A 50 HIS N A 50 HIS CA A 50 HIS C 1.0 -94.4 -34.4 PHI 59 59 A 50 HIS N A 50 HIS CA A 50 HIS C A 51 HIS N 1.0 -71.5 -11.5 PSI 60 60 A 50 HIS C A 51 HIS N A 51 HIS CA A 51 HIS C 1.0 -94.0 -34.0 PHI 61 61 A 51 HIS N A 51 HIS CA A 51 HIS C A 52 GLY N 1.0 -71.7 -11.7 PSI 62 62 A 51 HIS C A 52 GLY N A 52 GLY CA A 52 GLY C 1.0 -94.0 -34.0 PHI 63 63 A 52 GLY N A 52 GLY CA A 52 GLY C A 53 THR N 1.0 -71.7 -11.7 PSI 64 64 A 52 GLY C A 53 THR N A 53 THR CA A 53 THR C 1.0 -94.0 -34.0 PHI 65 65 A 53 THR N A 53 THR CA A 53 THR C A 54 THR N 1.0 -71.7 -11.7 PSI 66 66 A 53 THR N A 54 THR CA A 54 THR C A 54 THR N 1.0 -94.7 -34.7 . stop_ save_