data_nef_c19174_2m76 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 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 MET start . . 2 A 2 ALA middle . . 3 A 3 GLU middle . . 4 A 4 ALA middle . . 5 A 5 HIS middle . . 6 A 6 GLN middle . . 7 A 7 ALA middle . . 8 A 8 VAL middle . . 9 A 9 GLY middle . false 10 A 10 PHE middle . . 11 A 11 ARG middle . . 12 A 12 PRO middle . false 13 A 13 SER middle . . 14 A 14 LEU middle . . 15 A 15 THR middle . . 16 A 16 SER middle . . 17 A 17 ASP middle . . 18 A 18 GLY middle . false 19 A 19 ALA middle . . 20 A 20 GLU middle . . 21 A 21 VAL middle . . 22 A 22 GLU middle . . 23 A 23 LEU middle . . 24 A 24 SER middle . . 25 A 25 ALA middle . . 26 A 26 PRO middle . false 27 A 27 VAL middle . . 28 A 28 LEU middle . . 29 A 29 GLN middle . . 30 A 30 GLU middle . . 31 A 31 ILE middle . . 32 A 32 TYR middle . . 33 A 33 LEU middle . . 34 A 34 SER middle . . 35 A 35 GLY middle . false 36 A 36 LEU middle . . 37 A 37 ARG middle . . 38 A 38 SER middle . . 39 A 39 TRP middle . . 40 A 40 LYS middle . . 41 A 41 ARG middle . . 42 A 42 HIS middle . . 43 A 43 LEU middle . . 44 A 44 SER middle . . 45 A 45 ARG middle . . 46 A 46 PHE middle . . 47 A 47 TRP middle . . 48 A 48 ASN middle . . 49 A 49 ASP middle . . 50 A 50 PHE 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 2 ALA H H 1 8.593 0.020 A 2 ALA CA C 13 52.536 0.3 A 2 ALA CB C 13 19.031 0.3 A 2 ALA N N 15 127.400 0.3 A 3 GLU H H 1 8.301 0.020 A 3 GLU CA C 13 56.295 0.3 A 3 GLU CB C 13 29.939 0.3 A 3 GLU N N 15 120.977 0.3 A 4 ALA H H 1 8.229 0.020 A 4 ALA CA C 13 52.509 0.3 A 4 ALA CB C 13 19.084 0.3 A 4 ALA N N 15 125.568 0.3 A 5 HIS H H 1 8.363 0.020 A 5 HIS CA C 13 55.157 0.3 A 5 HIS CB C 13 28.827 0.3 A 5 HIS N N 15 117.815 0.3 A 6 GLN H H 1 8.289 0.020 A 6 GLN CA C 13 55.739 0.3 A 6 GLN CB C 13 29.409 0.3 A 6 GLN N N 15 121.556 0.3 A 7 ALA H H 1 8.311 0.020 A 7 ALA CA C 13 52.404 0.3 A 7 ALA CB C 13 18.978 0.3 A 7 ALA N N 15 126.411 0.3 A 8 VAL H H 1 8.018 0.020 A 8 VAL CA C 13 62.491 0.3 A 8 VAL CB C 13 32.586 0.3 A 8 VAL N N 15 119.771 0.3 A 9 GLY H H 1 8.243 0.020 A 9 GLY CA C 13 45.044 0.3 A 9 GLY N N 15 112.108 0.3 A 10 PHE H H 1 7.983 0.020 A 10 PHE CA C 13 57.725 0.3 A 10 PHE CB C 13 39.628 0.3 A 10 PHE N N 15 120.842 0.3 A 11 ARG H H 1 8.016 0.020 A 11 ARG CA C 13 53.410 0.3 A 11 ARG CB C 13 30.574 0.3 A 11 ARG N N 15 125.277 0.3 A 13 SER H H 1 8.197 0.020 A 13 SER CA C 13 58.043 0.3 A 13 SER CB C 13 63.774 0.3 A 13 SER N N 15 115.938 0.3 A 14 LEU H H 1 8.256 0.020 A 14 LEU CA C 13 55.422 0.3 A 14 LEU CB C 13 42.329 0.3 A 14 LEU N N 15 124.186 0.3 A 15 THR H H 1 7.913 0.020 A 15 THR CA C 13 61.379 0.3 A 15 THR CB C 13 69.810 0.3 A 15 THR N N 15 112.858 0.3 A 16 SER H H 1 8.154 0.020 A 16 SER CA C 13 58.678 0.3 A 16 SER CB C 13 63.668 0.3 A 16 SER N N 15 117.578 0.3 A 17 ASP H H 1 8.263 0.020 A 17 ASP CA C 13 54.680 0.3 A 17 ASP CB C 13 40.899 0.3 A 17 ASP N N 15 122.030 0.3 A 18 GLY H H 1 8.239 0.020 A 18 GLY CA C 13 45.758 0.3 A 18 GLY N N 15 108.815 0.3 A 19 ALA H H 1 8.001 0.020 A 19 ALA CA C 13 53.164 0.3 A 19 ALA CB C 13 19.084 0.3 A 19 ALA N N 15 123.128 0.3 A 20 GLU H H 1 8.231 0.020 A 20 GLU CA C 13 57.275 0.3 A 20 GLU CB C 13 29.250 0.3 A 20 GLU N N 15 117.663 0.3 A 21 VAL H H 1 7.767 0.020 A 21 VAL CA C 13 62.755 0.3 A 21 VAL CB C 13 32.268 0.3 A 21 VAL N N 15 119.044 0.3 A 22 GLU H H 1 7.969 0.020 A 22 GLU CA C 13 56.613 0.3 A 22 GLU CB C 13 29.833 0.3 A 22 GLU N N 15 121.765 0.3 A 23 LEU H H 1 7.917 0.020 A 23 LEU CA C 13 54.310 0.3 A 23 LEU CB C 13 42.223 0.3 A 23 LEU N N 15 120.996 0.3 A 24 SER H H 1 7.564 0.020 A 24 SER CA C 13 57.593 0.3 A 24 SER CB C 13 64.515 0.3 A 24 SER N N 15 114.702 0.3 A 25 ALA H H 1 8.630 0.020 A 25 ALA CA C 13 55.898 0.3 A 25 ALA CB C 13 16.330 0.3 A 25 ALA N N 15 125.059 0.3 A 27 VAL H H 1 7.294 0.020 A 27 VAL CA C 13 65.826 0.3 A 27 VAL CB C 13 31.686 0.3 A 27 VAL N N 15 118.016 0.3 A 28 LEU H H 1 7.939 0.020 A 28 LEU CA C 13 57.990 0.3 A 28 LEU CB C 13 41.429 0.3 A 28 LEU N N 15 119.933 0.3 A 29 GLN H H 1 8.179 0.020 A 29 GLN CA C 13 59.367 0.3 A 29 GLN CB C 13 28.297 0.3 A 29 GLN N N 15 117.644 0.3 A 30 GLU H H 1 7.752 0.020 A 30 GLU CA C 13 59.128 0.3 A 30 GLU CB C 13 29.038 0.3 A 30 GLU N N 15 118.389 0.3 A 31 ILE H H 1 8.131 0.020 A 31 ILE CA C 13 65.509 0.3 A 31 ILE CB C 13 37.775 0.3 A 31 ILE N N 15 120.796 0.3 A 32 TYR H H 1 8.214 0.020 A 32 TYR CA C 13 61.405 0.3 A 32 TYR CB C 13 38.358 0.3 A 32 TYR N N 15 120.550 0.3 A 33 LEU H H 1 8.347 0.020 A 33 LEU CA C 13 57.513 0.3 A 33 LEU CB C 13 41.657 0.3 A 33 LEU N N 15 117.578 0.3 A 34 SER H H 1 7.986 0.020 A 34 SER CA C 13 61.405 0.3 A 34 SER CB C 13 63.403 0.3 A 34 SER N N 15 114.635 0.3 A 35 GLY H H 1 8.302 0.020 A 35 GLY CA C 13 46.897 0.3 A 35 GLY N N 15 110.749 0.3 A 36 LEU H H 1 8.194 0.020 A 36 LEU CA C 13 57.619 0.3 A 36 LEU CB C 13 41.799 0.3 A 36 LEU N N 15 121.632 0.3 A 37 ARG H H 1 7.934 0.020 A 37 ARG CA C 13 59.049 0.3 A 37 ARG CB C 13 30.044 0.3 A 37 ARG N N 15 118.274 0.3 A 38 SER H H 1 7.913 0.020 A 38 SER CA C 13 60.531 0.3 A 38 SER CB C 13 63.509 0.3 A 38 SER N N 15 114.239 0.3 A 39 TRP H H 1 8.108 0.020 A 39 TRP CA C 13 59.870 0.3 A 39 TRP CB C 13 28.721 0.3 A 39 TRP N N 15 123.095 0.3 A 40 LYS H H 1 7.938 0.020 A 40 LYS CA C 13 59.525 0.3 A 40 LYS CB C 13 32.109 0.3 A 40 LYS N N 15 119.629 0.3 A 41 ARG H H 1 7.863 0.020 A 41 ARG CA C 13 57.857 0.3 A 41 ARG CB C 13 30.203 0.3 A 41 ARG N N 15 117.834 0.3 A 42 HIS H H 1 7.919 0.020 A 42 HIS CA C 13 57.487 0.3 A 42 HIS CB C 13 30.786 0.3 A 42 HIS N N 15 115.774 0.3 A 43 LEU H H 1 8.162 0.020 A 43 LEU CA C 13 56.745 0.3 A 43 LEU CB C 13 42.276 0.3 A 43 LEU N N 15 120.243 0.3 A 44 SER H H 1 8.033 0.020 A 44 SER CA C 13 60.987 0.3 A 44 SER CB C 13 62.768 0.3 A 44 SER N N 15 114.616 0.3 A 45 ARG H H 1 7.763 0.020 A 45 ARG CA C 13 57.513 0.3 A 45 ARG CB C 13 29.462 0.3 A 45 ARG N N 15 120.757 0.3 A 46 PHE H H 1 7.673 0.020 A 46 PHE CA C 13 59.155 0.3 A 46 PHE CB C 13 39.311 0.3 A 46 PHE N N 15 118.237 0.3 A 47 TRP H H 1 7.614 0.020 A 47 TRP CA C 13 58.837 0.3 A 47 TRP CB C 13 29.833 0.3 A 47 TRP N N 15 118.484 0.3 A 48 ASN H H 1 7.811 0.020 A 48 ASN CA C 13 54.124 0.3 A 48 ASN CB C 13 38.887 0.3 A 48 ASN N N 15 114.629 0.3 A 49 ASP H H 1 7.775 0.020 A 49 ASP CA C 13 54.310 0.3 A 49 ASP CB C 13 40.793 0.3 A 49 ASP N N 15 118.029 0.3 A 50 PHE H H 1 7.327 0.020 A 50 PHE CA C 13 59.367 0.3 A 50 PHE CB C 13 40.582 0.3 A 50 PHE N N 15 121.906 0.3 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 21 VAL C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -141.0 -41.0 PHI 2 2 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 LEU N 1.0 -62.0 46.0 PSI 3 3 A 24 SER C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -67.0 -51.0 PHI 4 4 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 PRO N 1.0 -61.0 -25.0 PSI 5 5 A 25 ALA C A 26 PRO N A 26 PRO CA A 26 PRO C 1.0 -65.4 -48.4 PHI 6 6 A 26 PRO N A 26 PRO CA A 26 PRO C A 27 VAL N 1.0 -61.3 -11.3 PSI 7 7 A 26 PRO C A 27 VAL N A 27 VAL CA A 27 VAL C 1.0 -84.0 -49.2 PHI 8 8 A 27 VAL N A 27 VAL CA A 27 VAL C A 28 LEU N 1.0 -61.8 -14.0 PSI 9 9 A 27 VAL C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -72.2 -46.6 PHI 10 10 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 GLN N 1.0 -54.0 -29.4 PSI 11 11 A 28 LEU C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -66.9 -54.5 PHI 12 12 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 GLU N 1.0 -56.9 -31.5 PSI 13 13 A 29 GLN C A 30 GLU N A 30 GLU CA A 30 GLU C 1.0 -71.0 -55.0 PHI 14 14 A 30 GLU N A 30 GLU CA A 30 GLU C A 31 ILE N 1.0 -45.0 -37.0 PSI 15 15 A 30 GLU C A 31 ILE N A 31 ILE CA A 31 ILE C 1.0 -76.3 -54.7 PHI 16 16 A 31 ILE N A 31 ILE CA A 31 ILE C A 32 TYR N 1.0 -50.3 -35.5 PSI 17 17 A 31 ILE C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -73.3 -51.1 PHI 18 18 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 LEU N 1.0 -60.3 -33.1 PSI 19 19 A 32 TYR C A 33 LEU N A 33 LEU CA A 33 LEU C 1.0 -69.5 -46.7 PHI 20 20 A 33 LEU N A 33 LEU CA A 33 LEU C A 34 SER N 1.0 -52.7 -27.9 PSI 21 21 A 33 LEU C A 34 SER N A 34 SER CA A 34 SER C 1.0 -72.6 -58.2 PHI 22 22 A 34 SER N A 34 SER CA A 34 SER C A 35 GLY N 1.0 -49.0 -25.0 PSI 23 23 A 34 SER C A 35 GLY N A 35 GLY CA A 35 GLY C 1.0 -84.0 -49.8 PHI 24 24 A 35 GLY N A 35 GLY CA A 35 GLY C A 36 LEU N 1.0 -59.0 -27.2 PSI 25 25 A 35 GLY C A 36 LEU N A 36 LEU CA A 36 LEU C 1.0 -69.0 -53.0 PHI 26 26 A 36 LEU N A 36 LEU CA A 36 LEU C A 37 ARG N 1.0 -54.0 -30.0 PSI 27 27 A 36 LEU C A 37 ARG N A 37 ARG CA A 37 ARG C 1.0 -77.0 -53.0 PHI 28 28 A 37 ARG N A 37 ARG CA A 37 ARG C A 38 SER N 1.0 -58.0 -18.0 PSI 29 29 A 37 ARG C A 38 SER N A 38 SER CA A 38 SER C 1.0 -70.0 -54.0 PHI 30 30 A 38 SER N A 38 SER CA A 38 SER C A 39 TRP N 1.0 -48.0 -36.0 PSI 31 31 A 38 SER C A 39 TRP N A 39 TRP CA A 39 TRP C 1.0 -77.0 -53.0 PHI 32 32 A 39 TRP N A 39 TRP CA A 39 TRP C A 40 LYS N 1.0 -51.0 -35.0 PSI 33 33 A 39 TRP C A 40 LYS N A 40 LYS CA A 40 LYS C 1.0 -75.0 -51.0 PHI 34 34 A 40 LYS N A 40 LYS CA A 40 LYS C A 41 ARG N 1.0 -58.0 -30.0 PSI 35 35 A 40 LYS C A 41 ARG N A 41 ARG CA A 41 ARG C 1.0 -82.4 -60.2 PHI 36 36 A 41 ARG N A 41 ARG CA A 41 ARG C A 42 HIS N 1.0 -57.9 -8.7 PSI 37 37 A 41 ARG C A 42 HIS N A 42 HIS CA A 42 HIS C 1.0 -79.3 -51.5 PHI 38 38 A 42 HIS N A 42 HIS CA A 42 HIS C A 43 LEU N 1.0 -63.4 -6.2 PSI 39 39 A 42 HIS C A 43 LEU N A 43 LEU CA A 43 LEU C 1.0 -77.6 -50.4 PHI 40 40 A 43 LEU N A 43 LEU CA A 43 LEU C A 44 SER N 1.0 -59.9 -16.7 PSI 41 41 A 43 LEU C A 44 SER N A 44 SER CA A 44 SER C 1.0 -72.0 -52.0 PHI 42 42 A 44 SER N A 44 SER CA A 44 SER C A 45 ARG N 1.0 -56.0 -16.0 PSI 43 43 A 44 SER C A 45 ARG N A 45 ARG CA A 45 ARG C 1.0 -83.5 -51.7 PHI 44 44 A 45 ARG N A 45 ARG CA A 45 ARG C A 46 PHE N 1.0 -57.2 -16.6 PSI 45 45 A 45 ARG C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -84.4 -52.8 PHI 46 46 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 TRP N 1.0 -57.6 -2.2 PSI 47 47 A 46 PHE C A 47 TRP N A 47 TRP CA A 47 TRP C 1.0 -101.0 -49.0 PHI 48 48 A 47 TRP N A 47 TRP CA A 47 TRP C A 48 ASN N 1.0 -63.0 5.0 PSI 49 49 A 47 TRP C A 48 ASN N A 48 ASN CA A 48 ASN C 1.0 -119.0 -47.0 PHI 50 50 A 48 ASN N A 48 ASN CA A 48 ASN C A 49 ASP N 1.0 -66.0 14.0 PSI 51 51 A 28 LEU N A 28 LEU CA A 28 LEU CB A 28 LEU CG 1.0 -90.0 -30.0 CHI1 52 52 A 42 HIS N A 42 HIS CA A 42 HIS CB A 42 HIS CG 1.0 -90.0 -30.0 CHI1 stop_ save_