data_nef_c30599_6okx 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 6OKX stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 VAL middle . . 4 A 4 GLU middle . . 5 A 5 LYS middle . . 6 A 6 LEU middle . . 7 A 7 THR middle . . 8 A 8 ALA middle . . 9 A 9 ASP middle . . 10 A 10 ALA middle . . 11 A 11 GLU middle . . 12 A 12 LEU middle . . 13 A 13 GLN middle . . 14 A 14 ARG middle . . 15 A 15 LEU middle . . 16 A 16 LYS middle . . 17 A 17 ASN middle . . 18 A 18 GLU middle . . 19 A 19 ALA middle . . 20 A 20 ALA middle . . 21 A 21 GLU middle . . 22 A 22 GLU middle . . 23 A 23 ALA middle . . 24 A 24 GLU middle . . 25 A 25 LEU middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 LEU middle . . 29 A 29 LYS middle . . 30 A 30 SER middle . . 31 A 31 GLU middle . . 32 A 32 ARG middle . . 33 A 33 HIS middle . . 34 A 34 ASP middle . . 35 A 35 HIS middle . . 36 A 36 ASP middle . . 37 A 37 LYS middle . . 38 A 38 LYS middle . . 39 A 39 GLU middle . . 40 A 40 ALA middle . . 41 A 41 GLU middle . . 42 A 42 ARG middle . . 43 A 43 LYS middle . . 44 A 44 ALA middle . . 45 A 45 LEU middle . . 46 A 46 GLU middle . . 47 A 47 ASP middle . . 48 A 48 LYS middle . . 49 A 49 LEU middle . . 50 A 50 ALA middle . . 51 A 51 ASP middle . . 52 A 52 TYR end . . stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 SER HA H 1 4.554 0.02 A 2 SER HBx H 1 3.881 0.02 A 2 SER HBy H 1 3.881 0.02 A 2 SER C C 13 177.740 0.20 A 2 SER CA C 13 58.378 0.20 A 2 SER CB C 13 63.948 0.20 A 3 VAL H H 1 8.339 0.02 A 3 VAL HA H 1 4.141 0.02 A 3 VAL HB H 1 2.105 0.02 A 3 VAL HGx% H 1 0.952 0.02 A 3 VAL HGy% H 1 0.952 0.02 A 3 VAL C C 13 176.340 0.20 A 3 VAL CA C 13 62.728 0.20 A 3 VAL CB C 13 32.518 0.20 A 3 VAL CGx C 13 21.328 0.20 A 3 VAL CGy C 13 21.328 0.20 A 3 VAL N N 15 121.721 0.20 A 4 GLU H H 1 8.520 0.02 A 4 GLU HA H 1 4.258 0.02 A 4 GLU HBx H 1 1.960 0.02 A 4 GLU HGy H 1 2.270 0.02 A 4 GLU C C 13 176.440 0.20 A 4 GLU CA C 13 56.918 0.20 A 4 GLU CB C 13 30.128 0.20 A 4 GLU CG C 13 36.438 0.20 A 4 GLU N N 15 124.650 0.20 A 5 LYS H H 1 8.315 0.02 A 5 LYS C C 13 176.540 0.20 A 5 LYS CA C 13 56.478 0.20 A 5 LYS CB C 13 32.958 0.20 A 5 LYS CD C 13 29.168 0.20 A 5 LYS CG C 13 24.828 0.20 A 5 LYS N N 15 122.657 0.20 A 6 LEU H H 1 8.347 0.02 A 6 LEU HA H 1 4.419 0.02 A 6 LEU HBx H 1 1.691 0.02 A 6 LEU HBy H 1 1.691 0.02 A 6 LEU HDx% H 1 0.899 0.02 A 6 LEU HDy% H 1 0.899 0.02 A 6 LEU HG H 1 1.625 0.02 A 6 LEU C C 13 178.040 0.20 A 6 LEU CA C 13 55.528 0.20 A 6 LEU CB C 13 42.388 0.20 A 6 LEU CDx C 13 23.548 0.20 A 6 LEU CDy C 13 25.078 0.20 A 6 LEU CG C 13 27.278 0.20 A 6 LEU N N 15 123.399 0.20 A 7 THR H H 1 8.053 0.02 A 7 THR HA H 1 4.307 0.02 A 7 THR HG2% H 1 1.256 0.02 A 7 THR C C 13 174.740 0.20 A 7 THR CA C 13 62.208 0.20 A 7 THR CB C 13 70.108 0.20 A 7 THR CG2 C 13 21.938 0.20 A 7 THR N N 15 114.525 0.20 A 8 ALA H H 1 8.422 0.02 A 8 ALA HA H 1 4.286 0.02 A 8 ALA HB% H 1 1.443 0.02 A 8 ALA C C 13 178.740 0.20 A 8 ALA CA C 13 53.168 0.20 A 8 ALA CB C 13 18.836 0.20 A 8 ALA N N 15 125.718 0.20 A 9 ASP H H 1 8.380 0.02 A 9 ASP HA H 1 4.485 0.02 A 9 ASP HBx H 1 2.670 0.02 A 9 ASP HBy H 1 2.670 0.02 A 9 ASP C C 13 177.440 0.20 A 9 ASP CA C 13 55.828 0.20 A 9 ASP CB C 13 40.928 0.20 A 9 ASP N N 15 119.045 0.20 A 10 ALA H H 1 8.154 0.02 A 10 ALA HA H 1 4.189 0.02 A 10 ALA HB% H 1 1.482 0.02 A 10 ALA C C 13 179.740 0.20 A 10 ALA CA C 13 54.338 0.20 A 10 ALA CB C 13 18.728 0.20 A 10 ALA N N 15 123.748 0.20 A 11 GLU H H 1 8.210 0.02 A 11 GLU HA H 1 4.262 0.02 A 11 GLU HBx H 1 2.067 0.02 A 11 GLU HBy H 1 2.067 0.02 A 11 GLU HGx H 1 2.287 0.02 A 11 GLU HGy H 1 2.287 0.02 A 11 GLU C C 13 177.840 0.20 A 11 GLU CA C 13 58.078 0.20 A 11 GLU CB C 13 29.618 0.20 A 11 GLU CG C 13 36.128 0.20 A 11 GLU N N 15 119.628 0.20 A 12 LEU H H 1 7.935 0.02 A 12 LEU HA H 1 4.176 0.02 A 12 LEU HBx H 1 1.792 0.02 A 12 LEU HBy H 1 1.792 0.02 A 12 LEU HDx% H 1 0.974 0.02 A 12 LEU HDy% H 1 0.974 0.02 A 12 LEU HG H 1 1.650 0.02 A 12 LEU C C 13 179.140 0.20 A 12 LEU CA C 13 57.158 0.20 A 12 LEU CB C 13 41.758 0.20 A 12 LEU CG C 13 27.178 0.20 A 12 LEU N N 15 120.540 0.20 A 13 GLN H H 1 8.058 0.02 A 13 GLN HA H 1 4.095 0.02 A 13 GLN HBx H 1 2.105 0.02 A 13 GLN HBy H 1 2.105 0.02 A 13 GLN HGx H 1 2.414 0.02 A 13 GLN HGy H 1 2.414 0.02 A 13 GLN C C 13 177.240 0.20 A 13 GLN CA C 13 57.548 0.20 A 13 GLN CB C 13 28.268 0.20 A 13 GLN CG C 13 33.908 0.20 A 13 GLN N N 15 118.520 0.20 A 14 ARG H H 1 7.994 0.02 A 14 ARG HA H 1 4.178 0.02 A 14 ARG HBx H 1 1.997 0.02 A 14 ARG HBy H 1 1.997 0.02 A 14 ARG HGx H 1 1.579 0.02 A 14 ARG HGy H 1 1.579 0.02 A 14 ARG C C 13 177.840 0.20 A 14 ARG CA C 13 58.328 0.20 A 14 ARG CB C 13 30.368 0.20 A 14 ARG CD C 13 43.378 0.20 A 14 ARG CG C 13 27.248 0.20 A 14 ARG N N 15 120.930 0.20 A 15 LEU H H 1 8.112 0.02 A 15 LEU HA H 1 4.179 0.02 A 15 LEU HBx H 1 1.816 0.02 A 15 LEU HBy H 1 1.816 0.02 A 15 LEU HDx% H 1 0.912 0.02 A 15 LEU HDy% H 1 0.912 0.02 A 15 LEU HG H 1 1.585 0.02 A 15 LEU C C 13 179.040 0.20 A 15 LEU CA C 13 56.738 0.20 A 15 LEU CB C 13 42.168 0.20 A 15 LEU CDy C 13 27.368 0.20 A 15 LEU CDx C 13 25.498 0.20 A 15 LEU CG C 13 30.358 0.20 A 15 LEU N N 15 120.540 0.20 A 16 LYS H H 1 8.105 0.02 A 16 LYS HA H 1 4.180 0.02 A 16 LYS HBx H 1 1.878 0.02 A 16 LYS HBy H 1 1.878 0.02 A 16 LYS HDx H 1 1.550 0.02 A 16 LYS HDy H 1 1.550 0.02 A 16 LYS HGx H 1 1.434 0.02 A 16 LYS HGy H 1 1.434 0.02 A 16 LYS C C 13 177.940 0.20 A 16 LYS CA C 13 58.038 0.20 A 16 LYS CB C 13 32.708 0.20 A 16 LYS CE C 13 42.328 0.20 A 16 LYS CG C 13 25.238 0.20 A 16 LYS N N 15 120.910 0.20 A 17 ASN H H 1 8.397 0.02 A 17 ASN HA H 1 4.635 0.02 A 17 ASN HBx H 1 2.915 0.02 A 17 ASN HBy H 1 2.915 0.02 A 17 ASN C C 13 176.640 0.20 A 17 ASN CA C 13 54.498 0.20 A 17 ASN CB C 13 38.398 0.20 A 17 ASN N N 15 119.918 0.20 A 18 GLU H H 1 8.517 0.02 A 18 GLU HA H 1 4.178 0.02 A 18 GLU HBx H 1 2.064 0.02 A 18 GLU HBy H 1 2.064 0.02 A 18 GLU HGx H 1 2.435 0.02 A 18 GLU HGy H 1 2.435 0.02 A 18 GLU C C 13 177.740 0.20 A 18 GLU CA C 13 58.468 0.20 A 18 GLU CB C 13 29.828 0.20 A 18 GLU CG C 13 36.488 0.20 A 18 GLU N N 15 121.510 0.20 A 19 ALA H H 1 8.141 0.02 A 19 ALA HA H 1 4.300 0.02 A 19 ALA HB% H 1 1.492 0.02 A 19 ALA C C 13 179.440 0.20 A 19 ALA CA C 13 53.858 0.20 A 19 ALA CB C 13 18.618 0.20 A 19 ALA N N 15 122.952 0.20 A 20 ALA H H 1 8.081 0.02 A 20 ALA HA H 1 4.275 0.02 A 20 ALA HB% H 1 1.504 0.02 A 20 ALA C C 13 179.640 0.20 A 20 ALA CA C 13 54.008 0.20 A 20 ALA CB C 13 18.728 0.20 A 20 ALA N N 15 122.556 0.20 A 21 GLU H H 1 8.268 0.02 A 21 GLU HA H 1 4.182 0.02 A 21 GLU HBx H 1 2.106 0.02 A 21 GLU HBy H 1 2.106 0.02 A 21 GLU HGx H 1 2.436 0.02 A 21 GLU HGy H 1 2.436 0.02 A 21 GLU C C 13 178.440 0.20 A 21 GLU CA C 13 58.468 0.20 A 21 GLU CB C 13 29.948 0.20 A 21 GLU CG C 13 36.458 0.20 A 21 GLU N N 15 119.950 0.20 A 22 GLU H H 1 8.305 0.02 A 22 GLU HA H 1 4.106 0.02 A 22 GLU HBx H 1 2.110 0.02 A 22 GLU HBy H 1 2.110 0.02 A 22 GLU HGx H 1 2.364 0.02 A 22 GLU HGy H 1 2.364 0.02 A 22 GLU C C 13 178.240 0.20 A 22 GLU CA C 13 58.468 0.20 A 22 GLU CB C 13 29.948 0.20 A 22 GLU CG C 13 36.458 0.20 A 22 GLU N N 15 120.753 0.20 A 23 ALA H H 1 8.143 0.02 A 23 ALA HA H 1 4.234 0.02 A 23 ALA HB% H 1 1.506 0.02 A 23 ALA C C 13 180.040 0.20 A 23 ALA CA C 13 54.478 0.20 A 23 ALA CB C 13 18.486 0.20 A 23 ALA N N 15 122.147 0.20 A 24 GLU H H 1 8.000 0.02 A 24 GLU HA H 1 4.286 0.02 A 24 GLU HBx H 1 2.101 0.02 A 24 GLU HBy H 1 2.101 0.02 A 24 GLU HGx H 1 2.337 0.02 A 24 GLU HGy H 1 2.337 0.02 A 24 GLU C C 13 178.040 0.20 A 24 GLU CA C 13 58.278 0.20 A 24 GLU CB C 13 29.508 0.20 A 24 GLU CG C 13 35.698 0.20 A 24 GLU N N 15 119.871 0.20 A 25 LEU H H 1 7.993 0.02 A 25 LEU HA H 1 4.132 0.02 A 25 LEU HBx H 1 1.881 0.02 A 25 LEU HBy H 1 1.881 0.02 A 25 LEU HG H 1 1.616 0.02 A 25 LEU C C 13 179.840 0.20 A 25 LEU CA C 13 57.738 0.20 A 25 LEU CB C 13 41.828 0.20 A 25 LEU CG C 13 27.148 0.20 A 25 LEU N N 15 120.357 0.20 A 26 GLU H H 1 8.102 0.02 A 26 GLU HA H 1 4.082 0.02 A 26 GLU HBx H 1 2.107 0.02 A 26 GLU HBy H 1 2.107 0.02 A 26 GLU HGx H 1 2.340 0.02 A 26 GLU HGy H 1 2.340 0.02 A 26 GLU C C 13 178.174 0.20 A 26 GLU CA C 13 58.668 0.20 A 26 GLU CB C 13 29.628 0.20 A 26 GLU CG C 13 36.138 0.20 A 26 GLU N N 15 118.971 0.20 A 27 ARG H H 1 8.008 0.02 A 27 ARG HA H 1 4.125 0.02 A 27 ARG HBx H 1 2.072 0.02 A 27 ARG HBy H 1 2.072 0.02 A 27 ARG C C 13 178.640 0.20 A 27 ARG CA C 13 58.938 0.20 A 27 ARG CB C 13 30.358 0.20 A 27 ARG N N 15 121.398 0.20 A 28 LEU H H 1 8.139 0.02 A 28 LEU HA H 1 4.117 0.02 A 28 LEU HBx H 1 1.833 0.02 A 28 LEU HBy H 1 1.833 0.02 A 28 LEU HDx% H 1 0.883 0.02 A 28 LEU HDy% H 1 0.883 0.02 A 28 LEU HG H 1 1.577 0.02 A 28 LEU C C 13 179.240 0.20 A 28 LEU CA C 13 57.078 0.20 A 28 LEU CB C 13 42.128 0.20 A 28 LEU N N 15 119.928 0.20 A 29 LYS H H 1 7.967 0.02 A 29 LYS HA H 1 4.102 0.02 A 29 LYS HBx H 1 1.901 0.02 A 29 LYS HBy H 1 1.901 0.02 A 29 LYS HDx H 1 1.592 0.02 A 29 LYS HDy H 1 1.592 0.02 A 29 LYS HGx H 1 1.409 0.02 A 29 LYS HGy H 1 1.409 0.02 A 29 LYS C C 13 178.340 0.20 A 29 LYS CA C 13 58.718 0.20 A 29 LYS CB C 13 32.808 0.20 A 29 LYS CG C 13 25.338 0.20 A 29 LYS N N 15 119.654 0.20 A 30 SER H H 1 8.053 0.02 A 30 SER HA H 1 4.351 0.02 A 30 SER HBx H 1 3.997 0.02 A 30 SER HBy H 1 3.997 0.02 A 30 SER C C 13 175.540 0.20 A 30 SER CA C 13 60.128 0.20 A 30 SER CB C 13 63.588 0.20 A 30 SER N N 15 115.189 0.20 A 31 GLU H H 1 8.165 0.02 A 31 GLU HA H 1 4.234 0.02 A 31 GLU HBx H 1 2.049 0.02 A 31 GLU HBy H 1 2.049 0.02 A 31 GLU HGy H 1 2.395 0.02 A 31 GLU HGx H 1 2.243 0.02 A 31 GLU C C 13 177.440 0.20 A 31 GLU CA C 13 57.758 0.20 A 31 GLU CB C 13 30.098 0.20 A 31 GLU CG C 13 36.528 0.20 A 31 GLU N N 15 122.042 0.20 A 32 ARG H H 1 8.080 0.02 A 32 ARG HA H 1 4.250 0.02 A 32 ARG HBx H 1 1.860 0.02 A 32 ARG HBy H 1 1.860 0.02 A 32 ARG HGx H 1 1.645 0.02 A 32 ARG HGy H 1 1.645 0.02 A 32 ARG C C 13 176.940 0.20 A 32 ARG CA C 13 57.138 0.20 A 32 ARG CB C 13 30.638 0.20 A 32 ARG CG C 13 27.110 0.20 A 32 ARG N N 15 120.467 0.20 A 33 HIS H H 1 8.337 0.02 A 33 HIS HA H 1 4.621 0.02 A 33 HIS HBy H 1 3.283 0.02 A 33 HIS HBx H 1 3.190 0.02 A 33 HIS C C 13 176.940 0.20 A 33 HIS CA C 13 56.898 0.20 A 33 HIS CB C 13 29.688 0.20 A 33 HIS N N 15 119.291 0.20 A 34 ASP H H 1 8.376 0.02 A 34 ASP HA H 1 4.515 0.02 A 34 ASP HBx H 1 2.681 0.02 A 34 ASP HBy H 1 2.681 0.02 A 34 ASP C C 13 176.940 0.20 A 34 ASP CA C 13 55.488 0.20 A 34 ASP CB C 13 40.898 0.20 A 34 ASP N N 15 120.496 0.20 A 35 HIS H H 1 8.354 0.02 A 35 HIS HA H 1 4.493 0.02 A 35 HIS HBx H 1 3.266 0.02 A 35 HIS HBy H 1 3.266 0.02 A 35 HIS C C 13 175.840 0.20 A 35 HIS CA C 13 57.518 0.20 A 35 HIS CB C 13 29.748 0.20 A 35 HIS N N 15 119.005 0.20 A 36 ASP H H 1 8.428 0.02 A 36 ASP HA H 1 4.495 0.02 A 36 ASP HBx H 1 2.718 0.02 A 36 ASP HBy H 1 2.718 0.02 A 36 ASP C C 13 177.440 0.20 A 36 ASP CA C 13 55.558 0.20 A 36 ASP CB C 13 40.658 0.20 A 36 ASP N N 15 120.679 0.20 A 37 LYS H H 1 8.196 0.02 A 37 LYS HA H 1 4.196 0.02 A 37 LYS HBx H 1 1.805 0.02 A 37 LYS HBy H 1 1.805 0.02 A 37 LYS HGx H 1 1.420 0.02 A 37 LYS HGy H 1 1.420 0.02 A 37 LYS C C 13 177.540 0.20 A 37 LYS CA C 13 57.768 0.20 A 37 LYS CB C 13 32.678 0.20 A 37 LYS CG C 13 24.988 0.20 A 37 LYS N N 15 122.121 0.20 A 38 LYS H H 1 8.192 0.02 A 38 LYS HA H 1 4.179 0.02 A 38 LYS HBx H 1 1.848 0.02 A 38 LYS HBy H 1 1.848 0.02 A 38 LYS HGx H 1 1.474 0.02 A 38 LYS HGy H 1 1.474 0.02 A 38 LYS C C 13 178.240 0.20 A 38 LYS CA C 13 57.718 0.20 A 38 LYS CB C 13 32.540 0.20 A 38 LYS CG C 13 25.230 0.20 A 38 LYS N N 15 121.053 0.20 A 39 GLU H H 1 8.301 0.02 A 39 GLU HA H 1 4.179 0.02 A 39 GLU HBx H 1 2.006 0.02 A 39 GLU HBy H 1 2.006 0.02 A 39 GLU HGx H 1 2.234 0.02 A 39 GLU HGy H 1 2.234 0.02 A 39 GLU C C 13 177.440 0.20 A 39 GLU CA C 13 57.788 0.20 A 39 GLU CB C 13 29.848 0.20 A 39 GLU CG C 13 36.438 0.20 A 39 GLU N N 15 121.084 0.20 A 40 ALA H H 1 8.149 0.02 A 40 ALA HA H 1 4.159 0.02 A 40 ALA HB% H 1 1.450 0.02 A 40 ALA C C 13 179.440 0.20 A 40 ALA CA C 13 53.878 0.20 A 40 ALA CB C 13 18.648 0.20 A 40 ALA N N 15 123.160 0.20 A 41 GLU H H 1 8.164 0.02 A 41 GLU HA H 1 4.143 0.02 A 41 GLU HBx H 1 2.055 0.02 A 41 GLU HBy H 1 2.055 0.02 A 41 GLU HGx H 1 2.249 0.02 A 41 GLU HGy H 1 2.398 0.02 A 41 GLU C C 13 177.640 0.20 A 41 GLU CA C 13 57.828 0.20 A 41 GLU CB C 13 30.128 0.20 A 41 GLU CG C 13 36.668 0.20 A 41 GLU N N 15 119.380 0.20 A 42 ARG H H 1 8.094 0.02 A 42 ARG HA H 1 4.178 0.02 A 42 ARG HBx H 1 1.883 0.02 A 42 ARG HBy H 1 1.883 0.02 A 42 ARG HDx H 1 3.202 0.02 A 42 ARG HDy H 1 3.202 0.02 A 42 ARG HGx H 1 1.630 0.02 A 42 ARG HGy H 1 1.630 0.02 A 42 ARG C C 13 177.540 0.20 A 42 ARG CA C 13 57.668 0.20 A 42 ARG CB C 13 30.288 0.20 A 42 ARG CD C 13 43.318 0.20 A 42 ARG CG C 13 27.248 0.20 A 42 ARG N N 15 121.310 0.20 A 43 LYS H H 1 8.239 0.02 A 43 LYS HA H 1 4.186 0.02 A 43 LYS HBx H 1 1.836 0.02 A 43 LYS HBy H 1 1.836 0.02 A 43 LYS HGx H 1 1.470 0.02 A 43 LYS HGy H 1 1.470 0.02 A 43 LYS C C 13 177.140 0.20 A 43 LYS CA C 13 57.478 0.20 A 43 LYS CB C 13 32.608 0.20 A 43 LYS CG C 13 25.068 0.20 A 43 LYS N N 15 121.411 0.20 A 44 ALA H H 1 8.058 0.02 A 44 ALA HA H 1 4.260 0.02 A 44 ALA HB% H 1 1.440 0.02 A 44 ALA C C 13 178.640 0.20 A 44 ALA CA C 13 53.378 0.20 A 44 ALA CB C 13 18.738 0.20 A 44 ALA N N 15 122.902 0.20 A 45 LEU H H 1 7.910 0.02 A 45 LEU HA H 1 4.255 0.02 A 45 LEU HBx H 1 1.720 0.02 A 45 LEU HBy H 1 1.720 0.02 A 45 LEU HDx% H 1 0.916 0.02 A 45 LEU HDy% H 1 0.916 0.02 A 45 LEU HG H 1 1.626 0.02 A 45 LEU C C 13 178.140 0.20 A 45 LEU CA C 13 55.998 0.20 A 45 LEU CB C 13 42.368 0.20 A 45 LEU CDy C 13 25.018 0.20 A 45 LEU CDx C 13 23.738 0.20 A 45 LEU CG C 13 27.238 0.20 A 45 LEU N N 15 119.708 0.20 A 46 GLU H H 1 8.169 0.02 A 46 GLU HA H 1 4.185 0.02 A 46 GLU HBx H 1 2.033 0.02 A 46 GLU HBy H 1 2.033 0.02 A 46 GLU HGx H 1 2.296 0.02 A 46 GLU HGy H 1 2.296 0.02 A 46 GLU C C 13 176.940 0.20 A 46 GLU CA C 13 57.358 0.20 A 46 GLU CB C 13 30.328 0.20 A 46 GLU CG C 13 36.518 0.20 A 46 GLU N N 15 120.148 0.20 A 47 ASP H H 1 8.248 0.02 A 47 ASP HA H 1 4.575 0.02 A 47 ASP HBx H 1 2.664 0.02 A 47 ASP HBy H 1 2.664 0.02 A 47 ASP CA C 13 54.818 0.20 A 47 ASP CB C 13 41.008 0.20 A 47 ASP N N 15 120.610 0.20 A 48 LYS H H 1 8.020 0.02 A 48 LYS HA H 1 4.294 0.02 A 48 LYS HBx H 1 1.818 0.02 A 48 LYS HBy H 1 1.818 0.02 A 48 LYS HGx H 1 1.444 0.02 A 48 LYS HGy H 1 1.444 0.02 A 48 LYS C C 13 176.640 0.20 A 48 LYS CA C 13 56.438 0.20 A 48 LYS CB C 13 32.958 0.20 A 48 LYS CG C 13 26.888 0.20 A 48 LYS N N 15 120.860 0.20 A 49 LEU HA H 1 4.304 0.02 A 49 LEU HBx H 1 1.663 0.02 A 49 LEU HBy H 1 1.663 0.02 A 49 LEU HDx% H 1 0.899 0.02 A 49 LEU HDy% H 1 0.899 0.02 A 49 LEU HG H 1 1.572 0.02 A 49 LEU C C 13 177.140 0.20 A 49 LEU CA C 13 55.268 0.20 A 49 LEU CB C 13 42.188 0.20 A 49 LEU CDy C 13 25.038 0.20 A 49 LEU CDx C 13 23.498 0.20 A 49 LEU CG C 13 27.018 0.20 A 50 ALA H H 1 8.052 0.02 A 50 ALA HA H 1 4.276 0.02 A 50 ALA HB% H 1 1.321 0.02 A 50 ALA C C 13 176.940 0.20 A 50 ALA CA C 13 52.318 0.20 A 50 ALA CB C 13 19.748 0.20 A 50 ALA N N 15 123.900 0.20 A 51 ASP H H 1 8.106 0.02 A 51 ASP HA H 1 4.557 0.02 A 51 ASP HBx H 1 2.514 0.02 A 51 ASP HBy H 1 2.655 0.02 A 51 ASP C C 13 174.740 0.20 A 51 ASP CA C 13 54.328 0.20 A 51 ASP CB C 13 41.188 0.20 A 51 ASP N N 15 119.614 0.20 A 52 TYR H H 1 7.498 0.02 A 52 TYR C C 13 180.340 0.20 A 52 TYR CA C 13 59.048 0.20 A 52 TYR CB C 13 39.388 0.20 A 52 TYR N N 15 124.324 0.20 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 3 VAL H A 2 SER HA 1.0 3.0 4.0 2 2 A 3 VAL H A 2 SER HBx 1.0 3.0 4.5 3 2 A 3 VAL H A 2 SER HBy 1.0 3.0 4.5 4 3 A 3 VAL H A 3 VAL HA 1.0 2.5 3.5 5 4 A 3 VAL H A 3 VAL HB 1.0 2.5 4.0 6 5 A 3 VAL H A 3 VAL HGx% 1.0 2.5 4.0 7 5 A 3 VAL H A 3 VAL HGy% 1.0 2.5 4.0 8 6 A 3 VAL HA A 4 GLU H 1.0 3.0 4.0 9 7 A 3 VAL HB A 4 GLU H 1.0 3.0 4.5 10 8 A 4 GLU H A 4 GLU HA 1.0 2.5 3.5 11 9 A 4 GLU H A 4 GLU HBx 1.0 2.5 4.0 12 9 A 4 GLU H A 4 GLU HBy 1.0 2.5 4.0 13 10 A 4 GLU HA A 5 LYS H 1.0 3.0 4.0 14 11 A 5 LYS H A 4 GLU HBx 1.0 3.0 4.5 15 11 A 4 GLU HBy A 5 LYS H 1.0 3.0 4.5 16 12 A 5 LYS H A 5 LYS HA 1.0 2.5 3.5 17 13 A 5 LYS H A 5 LYS HBx 1.0 2.5 4.0 18 13 A 5 LYS H A 5 LYS HBy 1.0 2.5 4.0 19 14 A 5 LYS HA A 6 LEU H 1.0 3.0 4.0 20 15 A 6 LEU H A 4 GLU HBx 1.0 3.0 4.5 21 15 A 4 GLU HBy A 6 LEU H 1.0 3.0 4.5 22 16 A 6 LEU H A 6 LEU HA 1.0 2.5 3.5 23 17 A 6 LEU H A 6 LEU HBx 1.0 2.5 4.0 24 17 A 6 LEU H A 6 LEU HBy 1.0 2.5 4.0 25 18 A 6 LEU HA A 7 THR H 1.0 3.0 4.0 26 19 A 7 THR H A 6 LEU HBx 1.0 3.0 4.5 27 19 A 6 LEU HBy A 7 THR H 1.0 3.0 4.5 28 20 A 7 THR H A 7 THR HA 1.0 2.5 3.5 29 21 A 7 THR H A 7 THR HB 1.0 2.5 4.0 30 22 A 7 THR H A 7 THR HG2% 1.0 2.5 4.5 31 22 A 7 THR H A 7 THR HG1 1.0 2.5 4.5 32 23 A 7 THR HA A 8 ALA H 1.0 3.0 4.0 33 24 A 7 THR HB A 8 ALA H 1.0 3.0 4.5 34 25 A 8 ALA H A 8 ALA HA 1.0 2.5 3.5 35 26 A 8 ALA H A 8 ALA HB% 1.0 2.5 4.0 36 27 A 8 ALA HA A 9 ASP H 1.0 3.0 4.0 37 28 A 8 ALA HB% A 9 ASP H 1.0 3.0 4.5 38 29 A 9 ASP H A 9 ASP HA 1.0 2.5 3.5 39 30 A 9 ASP H A 9 ASP HBx 1.0 2.5 4.0 40 30 A 9 ASP H A 9 ASP HBy 1.0 2.5 4.0 41 31 A 7 THR HB A 9 ASP H 1.0 3.0 4.5 42 32 A 7 THR HA A 9 ASP H 1.0 3.9 5.4 43 33 A 9 ASP H A 10 ALA H 1.0 2.3 3.3 44 34 A 9 ASP HA A 10 ALA H 1.0 3.0 4.0 45 35 A 10 ALA H A 9 ASP HBx 1.0 3.0 4.5 46 35 A 9 ASP HBy A 10 ALA H 1.0 3.0 4.5 47 36 A 10 ALA H A 10 ALA HA 1.0 2.5 3.5 48 37 A 10 ALA H A 10 ALA HB% 1.0 2.5 4.0 49 38 A 7 THR HA A 10 ALA H 1.0 3.0 4.0 50 39 A 10 ALA HA A 11 GLU H 1.0 3.0 4.0 51 40 A 10 ALA HB% A 11 GLU H 1.0 3.0 4.5 52 41 A 11 GLU H A 11 GLU HA 1.0 2.5 3.5 53 42 A 11 GLU H A 11 GLU HBx 1.0 2.5 4.0 54 42 A 11 GLU H A 11 GLU HBy 1.0 2.5 4.0 55 43 A 9 ASP HA A 11 GLU H 1.0 3.9 4.9 56 44 A 11 GLU H A 11 GLU HGx 1.0 2.5 4.0 57 44 A 11 GLU H A 11 GLU HGy 1.0 2.5 4.0 58 45 A 11 GLU H A 12 LEU H 1.0 2.3 3.3 59 46 A 11 GLU HA A 12 LEU H 1.0 3.0 4.0 60 47 A 12 LEU H A 11 GLU HBx 1.0 3.0 4.5 61 47 A 11 GLU HBy A 12 LEU H 1.0 3.0 4.5 62 48 A 12 LEU H A 12 LEU HA 1.0 2.5 3.5 63 49 A 12 LEU H A 12 LEU HBx 1.0 2.5 4.0 64 49 A 12 LEU H A 12 LEU HBy 1.0 2.5 4.0 65 50 A 9 ASP HA A 12 LEU H 1.0 3.0 4.0 66 51 A 10 ALA HA A 12 LEU H 1.0 3.9 4.9 67 52 A 12 LEU H A 12 LEU HG 1.0 3.5 5.0 68 53 A 12 LEU HA A 13 GLN H 1.0 3.0 4.0 69 54 A 13 GLN H A 12 LEU HBx 1.0 3.0 4.5 70 54 A 12 LEU HBy A 13 GLN H 1.0 3.0 4.5 71 55 A 13 GLN H A 13 GLN HA 1.0 2.5 3.5 72 56 A 13 GLN H A 13 GLN HGx 1.0 2.5 4.0 73 56 A 13 GLN H A 13 GLN HGy 1.0 2.5 4.0 74 57 A 13 GLN H A 13 GLN HBx 1.0 2.5 4.0 75 57 A 13 GLN H A 13 GLN HBy 1.0 2.5 4.0 76 58 A 13 GLN HA A 14 ARG H 1.0 3.0 4.0 77 59 A 14 ARG H A 13 GLN HBx 1.0 3.0 4.5 78 59 A 13 GLN HBy A 14 ARG H 1.0 3.0 4.5 79 60 A 14 ARG H A 14 ARG HA 1.0 2.5 3.5 80 61 A 14 ARG H A 14 ARG HBx 1.0 2.5 4.0 81 61 A 14 ARG H A 14 ARG HBy 1.0 2.5 4.0 82 62 A 14 ARG HA A 15 LEU H 1.0 3.0 4.0 83 63 A 15 LEU H A 14 ARG HBx 1.0 3.0 4.5 84 63 A 14 ARG HBy A 15 LEU H 1.0 3.0 4.5 85 64 A 15 LEU H A 15 LEU HA 1.0 2.5 3.5 86 65 A 15 LEU H A 15 LEU HBx 1.0 2.5 4.0 87 65 A 15 LEU H A 15 LEU HBy 1.0 2.5 4.0 88 66 A 15 LEU H A 14 ARG HGx 1.0 3.0 4.5 89 66 A 15 LEU H A 14 ARG HGy 1.0 3.0 4.5 90 67 A 15 LEU HA A 16 LYS H 1.0 3.0 4.0 91 68 A 16 LYS H A 15 LEU HBx 1.0 3.0 4.5 92 68 A 15 LEU HBy A 16 LYS H 1.0 3.0 4.5 93 69 A 16 LYS H A 16 LYS HA 1.0 2.5 3.5 94 70 A 16 LYS H A 16 LYS HBx 1.0 2.5 4.0 95 70 A 16 LYS H A 16 LYS HBy 1.0 2.5 4.0 96 71 A 16 LYS H A 17 ASN H 1.0 2.3 3.3 97 72 A 16 LYS HA A 17 ASN H 1.0 3.0 4.0 98 73 A 17 ASN H A 16 LYS HBx 1.0 3.0 4.5 99 73 A 16 LYS HBy A 17 ASN H 1.0 3.0 4.5 100 74 A 17 ASN H A 17 ASN HA 1.0 2.5 3.5 101 75 A 17 ASN H A 17 ASN HBx 1.0 2.5 4.0 102 75 A 17 ASN H A 17 ASN HBy 1.0 2.5 4.0 103 76 A 17 ASN H A 18 GLU H 1.0 2.3 3.3 104 77 A 17 ASN HA A 18 GLU H 1.0 3.0 4.0 105 78 A 18 GLU H A 17 ASN HBx 1.0 3.0 4.5 106 78 A 17 ASN HBy A 18 GLU H 1.0 3.0 4.5 107 79 A 18 GLU H A 18 GLU HA 1.0 2.5 3.5 108 80 A 18 GLU H A 18 GLU HBx 1.0 2.5 4.0 109 80 A 18 GLU H A 18 GLU HBy 1.0 2.5 4.0 110 81 A 15 LEU HA A 18 GLU H 1.0 3.0 4.0 111 82 A 18 GLU H A 19 ALA H 1.0 2.3 3.3 112 83 A 18 GLU HA A 19 ALA H 1.0 3.0 4.0 113 84 A 19 ALA H A 18 GLU HBx 1.0 3.0 4.5 114 84 A 18 GLU HBy A 19 ALA H 1.0 3.0 4.5 115 85 A 19 ALA H A 19 ALA HA 1.0 2.5 3.5 116 86 A 19 ALA H A 19 ALA HB% 1.0 2.5 4.0 117 87 A 19 ALA HA A 20 ALA H 1.0 3.0 4.0 118 88 A 19 ALA HB% A 20 ALA H 1.0 3.0 4.5 119 89 A 20 ALA H A 20 ALA HA 1.0 2.5 3.5 120 90 A 20 ALA H A 20 ALA HB% 1.0 2.5 4.0 121 91 A 19 ALA H A 21 GLU H 1.0 3.7 4.7 122 92 A 20 ALA H A 21 GLU H 1.0 2.3 3.3 123 93 A 20 ALA HA A 21 GLU H 1.0 3.0 4.0 124 94 A 20 ALA HB% A 21 GLU H 1.0 3.0 4.5 125 95 A 21 GLU H A 21 GLU HA 1.0 2.5 3.5 126 96 A 21 GLU H A 21 GLU HBx 1.0 2.5 4.0 127 96 A 21 GLU H A 21 GLU HBy 1.0 2.5 4.0 128 97 A 21 GLU HA A 22 GLU H 1.0 3.0 4.0 129 98 A 22 GLU H A 21 GLU HBx 1.0 3.0 4.5 130 98 A 21 GLU HBy A 22 GLU H 1.0 3.0 4.5 131 99 A 22 GLU H A 22 GLU HA 1.0 2.5 3.5 132 100 A 22 GLU H A 22 GLU HBx 1.0 2.5 4.0 133 100 A 22 GLU H A 22 GLU HBy 1.0 2.5 4.0 134 101 A 19 ALA HA A 22 GLU H 1.0 3.0 4.0 135 102 A 22 GLU H A 23 ALA H 1.0 2.3 3.3 136 103 A 22 GLU HA A 23 ALA H 1.0 3.0 4.0 137 104 A 23 ALA H A 22 GLU HBx 1.0 3.0 4.5 138 104 A 22 GLU HBy A 23 ALA H 1.0 3.0 4.5 139 105 A 23 ALA H A 23 ALA HA 1.0 2.5 3.5 140 106 A 23 ALA H A 23 ALA HB% 1.0 2.5 4.0 141 107 A 23 ALA H A 24 GLU H 1.0 2.3 3.3 142 108 A 23 ALA HA A 24 GLU H 1.0 3.0 4.0 143 109 A 23 ALA HB% A 24 GLU H 1.0 3.0 4.5 144 110 A 24 GLU H A 24 GLU HA 1.0 2.5 3.5 145 111 A 24 GLU H A 24 GLU HBx 1.0 2.5 4.0 146 111 A 24 GLU H A 24 GLU HBy 1.0 2.5 4.0 147 112 A 24 GLU HA A 25 LEU H 1.0 3.0 4.0 148 113 A 25 LEU H A 24 GLU HBx 1.0 3.0 4.5 149 113 A 24 GLU HBy A 25 LEU H 1.0 3.0 4.5 150 114 A 25 LEU H A 25 LEU HA 1.0 2.5 3.5 151 115 A 25 LEU H A 25 LEU HBx 1.0 2.5 4.0 152 115 A 25 LEU H A 25 LEU HBy 1.0 2.5 4.0 153 116 A 25 LEU HA A 26 GLU H 1.0 3.0 4.0 154 117 A 26 GLU H A 25 LEU HBx 1.0 3.0 4.5 155 117 A 25 LEU HBy A 26 GLU H 1.0 3.0 4.5 156 118 A 26 GLU H A 26 GLU HA 1.0 2.5 3.5 157 119 A 26 GLU H A 26 GLU HBx 1.0 2.5 4.0 158 119 A 26 GLU H A 26 GLU HBy 1.0 2.5 4.0 159 120 A 23 ALA HA A 26 GLU H 1.0 3.0 4.0 160 121 A 26 GLU H A 27 ARG H 1.0 2.3 3.3 161 122 A 26 GLU HA A 27 ARG H 1.0 3.0 4.0 162 123 A 27 ARG H A 26 GLU HBx 1.0 3.0 4.5 163 123 A 26 GLU HBy A 27 ARG H 1.0 3.0 4.5 164 124 A 27 ARG H A 27 ARG HA 1.0 2.5 3.5 165 125 A 27 ARG H A 27 ARG HBx 1.0 2.5 4.0 166 125 A 27 ARG H A 27 ARG HBy 1.0 2.5 4.0 167 126 A 24 GLU HA A 27 ARG H 1.0 3.0 4.0 168 127 A 27 ARG H A 28 LEU H 1.0 2.3 3.3 169 128 A 27 ARG HA A 28 LEU H 1.0 3.0 4.0 170 129 A 28 LEU H A 27 ARG HBx 1.0 3.0 4.5 171 129 A 27 ARG HBy A 28 LEU H 1.0 3.0 4.5 172 130 A 28 LEU H A 28 LEU HA 1.0 2.5 3.5 173 131 A 28 LEU H A 28 LEU HBx 1.0 2.5 4.0 174 131 A 28 LEU H A 28 LEU HBy 1.0 2.5 4.0 175 132 A 28 LEU H A 29 LYS H 1.0 2.3 3.3 176 133 A 28 LEU HA A 29 LYS H 1.0 3.0 4.0 177 134 A 29 LYS H A 28 LEU HBx 1.0 3.0 4.5 178 134 A 28 LEU HBy A 29 LYS H 1.0 3.0 4.5 179 135 A 29 LYS H A 29 LYS HA 1.0 2.5 3.5 180 136 A 29 LYS H A 29 LYS HBx 1.0 2.5 4.0 181 136 A 29 LYS H A 29 LYS HBy 1.0 2.5 4.0 182 137 A 29 LYS HA A 30 SER H 1.0 3.0 4.0 183 138 A 30 SER H A 29 LYS HBx 1.0 3.0 4.5 184 138 A 29 LYS HBy A 30 SER H 1.0 3.0 4.5 185 139 A 30 SER H A 30 SER HA 1.0 2.5 3.5 186 140 A 30 SER H A 30 SER HBx 1.0 2.5 4.0 187 140 A 30 SER H A 30 SER HBy 1.0 2.5 4.0 188 141 A 28 LEU HA A 30 SER H 1.0 3.9 4.9 189 142 A 30 SER HA A 31 GLU H 1.0 3.0 4.0 190 143 A 31 GLU H A 30 SER HBx 1.0 3.0 4.5 191 143 A 30 SER HBy A 31 GLU H 1.0 3.0 4.5 192 144 A 31 GLU H A 31 GLU HA 1.0 2.5 3.5 193 145 A 31 GLU H A 31 GLU HBx 1.0 2.5 4.0 194 145 A 31 GLU H A 31 GLU HBy 1.0 2.5 4.0 195 146 A 31 GLU HA A 32 ARG H 1.0 3.0 4.0 196 147 A 32 ARG H A 31 GLU HBx 1.0 3.0 4.5 197 147 A 31 GLU HBy A 32 ARG H 1.0 3.0 4.5 198 148 A 32 ARG H A 32 ARG HA 1.0 2.5 3.5 199 149 A 32 ARG H A 32 ARG HBx 1.0 2.5 4.0 200 149 A 32 ARG H A 32 ARG HBy 1.0 2.5 4.0 201 150 A 29 LYS HA A 32 ARG H 1.0 3.0 4.0 202 151 A 33 HIS H A 33 HIS HA 1.0 2.5 3.5 203 152 A 33 HIS H A 33 HIS HBy 1.0 2.5 4.0 204 152 A 33 HIS H A 33 HIS HBx 1.0 2.5 4.0 205 153 A 33 HIS HA A 34 ASP H 1.0 3.0 4.0 206 154 A 34 ASP H A 34 ASP HA 1.0 2.5 3.5 207 155 A 34 ASP H A 34 ASP HBx 1.0 2.5 4.0 208 155 A 34 ASP H A 34 ASP HBy 1.0 2.5 4.0 209 156 A 35 HIS H A 34 ASP HBx 1.0 3.0 4.5 210 156 A 34 ASP HBy A 35 HIS H 1.0 3.0 4.5 211 157 A 35 HIS H A 35 HIS HA 1.0 2.5 3.5 212 158 A 35 HIS H A 35 HIS HBx 1.0 2.5 4.0 213 158 A 35 HIS H A 35 HIS HBy 1.0 2.5 4.0 214 159 A 35 HIS HA A 36 ASP H 1.0 3.0 4.0 215 160 A 36 ASP H A 35 HIS HBx 1.0 3.0 4.5 216 160 A 35 HIS HBy A 36 ASP H 1.0 3.0 4.5 217 161 A 36 ASP H A 36 ASP HA 1.0 2.5 3.5 218 162 A 36 ASP H A 36 ASP HBx 1.0 2.5 4.0 219 162 A 36 ASP H A 36 ASP HBy 1.0 2.5 4.0 220 163 A 36 ASP H A 37 LYS H 1.0 2.3 3.3 221 164 A 36 ASP HA A 37 LYS H 1.0 3.0 4.0 222 165 A 37 LYS H A 36 ASP HBx 1.0 3.0 4.5 223 165 A 36 ASP HBy A 37 LYS H 1.0 3.0 4.5 224 166 A 37 LYS H A 37 LYS HA 1.0 2.5 3.5 225 167 A 37 LYS H A 37 LYS HBx 1.0 2.5 4.0 226 167 A 37 LYS H A 37 LYS HBy 1.0 2.5 4.0 227 168 A 38 LYS H A 38 LYS HA 1.0 2.5 3.5 228 169 A 38 LYS H A 38 LYS HBx 1.0 2.5 4.0 229 169 A 38 LYS H A 38 LYS HBy 1.0 2.5 4.0 230 170 A 36 ASP HA A 38 LYS H 1.0 3.0 4.0 231 171 A 38 LYS H A 37 LYS HBx 1.0 3.0 4.5 232 171 A 37 LYS HBy A 38 LYS H 1.0 3.0 4.5 233 172 A 36 ASP HA A 38 LYS H 1.0 3.7 4.7 234 173 A 38 LYS HA A 39 GLU H 1.0 3.0 4.0 235 174 A 39 GLU H A 38 LYS HBx 1.0 3.0 4.5 236 174 A 38 LYS HBy A 39 GLU H 1.0 3.0 4.5 237 175 A 39 GLU H A 39 GLU HA 1.0 2.5 3.5 238 176 A 39 GLU H A 39 GLU HBx 1.0 2.5 4.0 239 176 A 39 GLU H A 39 GLU HBy 1.0 2.5 4.0 240 177 A 36 ASP HA A 39 GLU H 1.0 3.0 4.0 241 178 A 39 GLU HA A 40 ALA H 1.0 3.0 4.0 242 179 A 40 ALA H A 39 GLU HBx 1.0 3.0 4.5 243 179 A 39 GLU HBy A 40 ALA H 1.0 3.0 4.5 244 180 A 40 ALA H A 40 ALA HA 1.0 2.5 3.5 245 181 A 40 ALA H A 40 ALA HB% 1.0 2.5 4.0 246 182 A 40 ALA HA A 41 GLU H 1.0 3.0 4.0 247 183 A 40 ALA HB% A 41 GLU H 1.0 3.0 4.5 248 184 A 41 GLU H A 41 GLU HA 1.0 2.5 3.5 249 185 A 41 GLU H A 41 GLU HBx 1.0 2.5 4.0 250 185 A 41 GLU H A 41 GLU HBy 1.0 2.5 4.0 251 186 A 41 GLU HA A 42 ARG H 1.0 3.0 4.0 252 187 A 42 ARG H A 41 GLU HBx 1.0 3.0 4.5 253 187 A 41 GLU HBy A 42 ARG H 1.0 3.0 4.5 254 188 A 42 ARG H A 42 ARG HA 1.0 2.5 3.5 255 189 A 42 ARG H A 42 ARG HBx 1.0 2.5 4.0 256 189 A 42 ARG H A 42 ARG HBy 1.0 2.5 4.0 257 190 A 40 ALA HA A 42 ARG H 1.0 3.0 4.0 258 191 A 42 ARG H A 43 LYS H 1.0 2.3 3.3 259 192 A 42 ARG HA A 43 LYS H 1.0 3.0 4.0 260 193 A 43 LYS H A 42 ARG HBx 1.0 3.0 4.5 261 193 A 42 ARG HBy A 43 LYS H 1.0 3.0 4.5 262 194 A 43 LYS H A 43 LYS HA 1.0 2.5 3.5 263 195 A 43 LYS H A 43 LYS HBx 1.0 2.5 4.0 264 195 A 43 LYS H A 43 LYS HBy 1.0 2.5 4.0 265 196 A 40 ALA HA A 43 LYS H 1.0 3.0 4.0 266 197 A 43 LYS HA A 44 ALA H 1.0 3.0 4.0 267 198 A 44 ALA H A 43 LYS HBx 1.0 3.0 4.5 268 198 A 43 LYS HBy A 44 ALA H 1.0 3.0 4.5 269 199 A 44 ALA H A 44 ALA HA 1.0 2.5 3.5 270 200 A 44 ALA H A 44 ALA HB% 1.0 2.5 4.0 271 201 A 44 ALA HA A 45 LEU H 1.0 3.0 4.0 272 202 A 44 ALA HB% A 45 LEU H 1.0 3.0 4.5 273 203 A 45 LEU H A 45 LEU HA 1.0 2.5 3.5 274 204 A 45 LEU H A 45 LEU HBx 1.0 2.5 4.0 275 204 A 45 LEU H A 45 LEU HBy 1.0 2.5 4.0 276 205 A 42 ARG HA A 45 LEU H 1.0 3.9 4.9 277 206 A 45 LEU H A 46 GLU H 1.0 2.3 3.3 278 207 A 45 LEU HA A 46 GLU H 1.0 3.0 4.0 279 208 A 46 GLU H A 45 LEU HBx 1.0 3.0 4.5 280 208 A 45 LEU HBy A 46 GLU H 1.0 3.0 4.5 281 209 A 46 GLU H A 46 GLU HA 1.0 2.5 3.5 282 210 A 46 GLU H A 46 GLU HBx 1.0 2.5 4.0 283 210 A 46 GLU H A 46 GLU HBy 1.0 2.5 4.0 284 211 A 46 GLU HA A 47 ASP H 1.0 3.0 4.0 285 212 A 47 ASP H A 46 GLU HBx 1.0 3.0 4.5 286 212 A 46 GLU HBy A 47 ASP H 1.0 3.0 4.5 287 213 A 47 ASP H A 46 GLU HGx 1.0 3.0 4.5 288 213 A 47 ASP H A 46 GLU HGy 1.0 3.0 4.5 289 214 A 47 ASP H A 47 ASP HA 1.0 2.5 3.5 290 215 A 47 ASP H A 47 ASP HBx 1.0 2.5 4.0 291 215 A 47 ASP H A 47 ASP HBy 1.0 2.5 4.0 292 216 A 44 ALA HA A 47 ASP H 1.0 3.0 4.0 293 217 A 47 ASP H A 48 LYS H 1.0 2.3 3.3 294 218 A 47 ASP HA A 48 LYS H 1.0 3.0 4.0 295 219 A 48 LYS H A 47 ASP HBx 1.0 3.0 4.5 296 219 A 47 ASP HBy A 48 LYS H 1.0 3.0 4.5 297 220 A 48 LYS H A 48 LYS HA 1.0 2.5 3.5 298 221 A 48 LYS H A 48 LYS HBx 1.0 2.5 4.0 299 221 A 48 LYS H A 48 LYS HBy 1.0 2.5 4.0 300 222 A 48 LYS HA A 49 LEU H 1.0 3.0 4.0 301 223 A 49 LEU H A 48 LYS HBx 1.0 3.0 4.5 302 223 A 48 LYS HBy A 49 LEU H 1.0 3.0 4.5 303 224 A 49 LEU H A 49 LEU HA 1.0 2.5 3.5 304 225 A 49 LEU H A 49 LEU HBx 1.0 2.5 4.0 305 225 A 49 LEU H A 49 LEU HBy 1.0 2.5 4.0 306 226 A 49 LEU HA A 50 ALA H 1.0 3.0 4.0 307 227 A 50 ALA H A 49 LEU HBx 1.0 3.0 4.5 308 227 A 49 LEU HBy A 50 ALA H 1.0 3.0 4.5 309 228 A 50 ALA H A 50 ALA HA 1.0 2.5 3.5 310 229 A 50 ALA H A 50 ALA HB% 1.0 2.5 4.0 311 230 A 50 ALA HA A 51 ASP H 1.0 3.0 4.0 312 231 A 50 ALA HB% A 51 ASP H 1.0 3.0 4.5 313 232 A 51 ASP H A 51 ASP HA 1.0 2.5 3.5 314 233 A 51 ASP H A 51 ASP HBx 1.0 2.5 4.0 315 233 A 51 ASP H A 51 ASP HBy 1.0 2.5 4.0 316 234 A 51 ASP HA A 52 TYR H 1.0 3.0 4.0 317 235 A 52 TYR H A 51 ASP HBx 1.0 3.0 4.5 318 235 A 51 ASP HBy A 52 TYR H 1.0 3.0 4.5 319 236 A 52 TYR H A 52 TYR HA 1.0 2.5 3.5 320 237 A 52 TYR H A 52 TYR HBx 1.0 2.5 4.0 321 237 A 52 TYR H A 52 TYR HBy 1.0 2.5 4.0 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 7 THR C A 8 ALA N A 8 ALA CA A 8 ALA C 1.0 -81.0 -41.0 PHI 2 2 A 8 ALA N A 8 ALA CA A 8 ALA C A 9 ASP N 1.0 -53.2 -13.2 PSI 3 3 A 8 ALA C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -87.4 -47.4 PHI 4 4 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 ALA N 1.0 -58.2 -18.2 PSI 5 5 A 9 ASP C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -88.7 -48.7 PHI 6 6 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -56.5 -16.5 PSI 7 7 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -87.0 -47.0 PHI 8 8 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LEU N 1.0 -58.7 -18.7 PSI 9 9 A 11 GLU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -86.7 -46.7 PHI 10 10 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLN N 1.0 -57.0 -17.0 PSI 11 11 A 12 LEU C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -86.3 -46.3 PHI 12 12 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 ARG N 1.0 -58.8 -18.8 PSI 13 13 A 13 GLN C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -85.7 -45.7 PHI 14 14 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -57.6 -17.6 PSI 15 15 A 14 ARG C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -89.1 -49.1 PHI 16 16 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -56.1 -16.1 PSI 17 17 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -86.1 -46.1 PHI 18 18 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASN N 1.0 -56.6 -16.6 PSI 19 19 A 17 ASN C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -88.3 -48.3 PHI 20 20 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 ALA N 1.0 -58.8 -18.8 PSI 21 21 A 18 GLU C A 19 ALA N A 19 ALA CA A 19 ALA C 1.0 -85.9 -45.9 PHI 22 22 A 19 ALA N A 19 ALA CA A 19 ALA C A 20 ALA N 1.0 -59.1 -19.1 PSI 23 23 A 19 ALA C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -86.3 -46.3 PHI 24 24 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 GLU N 1.0 -58.6 -18.6 PSI 25 25 A 20 ALA C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -87.6 -47.6 PHI 26 26 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLU N 1.0 -57.5 -17.5 PSI 27 27 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -86.2 -46.2 PHI 28 28 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ALA N 1.0 -59.2 -19.2 PSI 29 29 A 22 GLU C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -86.2 -46.2 PHI 30 30 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLU N 1.0 -59.9 -19.9 PSI 31 31 A 23 ALA C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -87.2 -47.2 PHI 32 32 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LEU N 1.0 -59.1 -19.1 PSI 33 33 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -87.1 -47.1 PHI 34 34 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -59.9 -19.9 PSI 35 35 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -86.0 -46.0 PHI 36 36 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -58.8 -18.8 PSI 37 37 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -86.3 -46.3 PHI 38 38 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -59.1 -19.1 PSI 39 39 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -89.0 -49.0 PHI 40 40 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -55.5 -15.5 PSI 41 41 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -86.3 -46.3 PHI 42 42 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 SER N 1.0 -58.2 -18.2 PSI 43 43 A 29 LYS C A 30 SER N A 30 SER CA A 30 SER C 1.0 -88.1 -48.1 PHI 44 44 A 30 SER N A 30 SER CA A 30 SER C A 31 GLU N 1.0 -56.5 -16.5 PSI 45 45 A 37 LYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -88.2 -48.2 PHI 46 46 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 GLU N 1.0 -56.4 -16.4 PSI 47 47 A 38 LYS C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -87.5 -47.5 PHI 48 48 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ALA N 1.0 -58.7 -18.7 PSI 49 49 A 39 GLU C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -86.3 -46.3 PHI 50 50 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLU N 1.0 -56.7 -16.7 PSI 51 51 A 40 ALA C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -86.8 -46.8 PHI 52 52 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 -58.8 -18.8 PSI 53 53 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -88.1 -48.1 PHI 54 54 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LYS N 1.0 -56.8 -16.8 PSI 55 55 A 42 ARG C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -86.2 -46.2 PHI 56 56 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ALA N 1.0 -58.4 -18.4 PSI 57 57 A 43 LYS C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -85.7 -45.7 PHI 58 58 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 LEU N 1.0 -56.7 -16.7 PSI 59 59 A 44 ALA C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -88.4 -48.4 PHI 60 60 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLU N 1.0 -51.9 -11.9 PSI 61 61 A 45 LEU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -90.7 -50.7 PHI 62 62 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASP N 1.0 -45.3 -5.3 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.experiment_classification . _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 2 _nef_nmr_spectrum.chemical_shift_list . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectrometer_frequency _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.value_first_point _nef_spectrum_dimension.folding _nef_spectrum_dimension.absolute_peak_positions _nef_spectrum_dimension.is_acquisition 1 ppm . . 11 . . . . 2 ppm . . 24 . . . . stop_ save_