data_nef_c30271_5v4u save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 5V4U 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 LYS middle . . 5 A 5 LYS middle . . 6 A 6 LEU middle . . 7 A 7 ASN middle . . 8 A 8 ASP middle . . 9 A 9 GLU middle . . 10 A 10 VAL middle . . 11 A 11 ALA middle . . 12 A 12 LEU middle . . 13 A 13 GLU 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 ARG middle . . 20 A 20 HIS middle . . 21 A 21 VAL middle . . 22 A 22 HIS middle . . 23 A 23 ASP middle . . 24 A 24 GLU middle . . 25 A 25 GLU middle . . 26 A 26 VAL middle . . 27 A 27 GLU middle . . 28 A 28 LEU middle . . 29 A 29 GLU middle . . 30 A 30 ARG middle . . 31 A 31 LEU middle . . 32 A 32 LYS middle . . 33 A 33 ASN middle . . 34 A 34 GLU middle . . 35 A 35 ARG middle . . 36 A 36 HIS middle . . 37 A 37 ASP middle . . 38 A 38 HIS middle . . 39 A 39 ASP middle . . 40 A 40 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 1 GLY HA2 H 1 3.842 0.02 A 1 GLY HA3 H 1 3.842 0.02 A 1 GLY CA C 13 43.884 0.20 A 2 SER HA H 1 4.504 0.02 A 2 SER HBx H 1 3.804 0.02 A 2 SER HBy H 1 3.804 0.02 A 2 SER C C 13 174.587 0.20 A 2 SER CA C 13 58.220 0.20 A 2 SER CB C 13 64.119 0.20 A 3 VAL H H 1 8.317 0.02 A 3 VAL HA H 1 4.069 0.02 A 3 VAL HB H 1 2.014 0.02 A 3 VAL HG1% H 1 0.873 0.02 A 3 VAL HG2% H 1 0.873 0.02 A 3 VAL C C 13 176.155 0.20 A 3 VAL CA C 13 62.537 0.20 A 3 VAL CB C 13 32.722 0.20 A 3 VAL CGx C 13 21.272 0.20 A 3 VAL CGy C 13 21.272 0.20 A 3 VAL N N 15 122.402 0.20 A 4 LYS H H 1 8.420 0.02 A 4 LYS HA H 1 4.192 0.02 A 4 LYS HBx H 1 1.684 0.02 A 4 LYS HGx H 1 1.342 0.02 A 4 LYS HGy H 1 1.342 0.02 A 4 LYS C C 13 176.296 0.20 A 4 LYS CA C 13 56.507 0.20 A 4 LYS CB C 13 32.940 0.20 A 4 LYS CG C 13 24.884 0.20 A 4 LYS N N 15 125.837 0.20 A 5 LYS H H 1 8.338 0.02 A 5 LYS HA H 1 4.253 0.02 A 5 LYS HBx H 1 1.716 0.02 A 5 LYS HBy H 1 1.716 0.02 A 5 LYS HDx H 1 0.924 0.02 A 5 LYS HGx H 1 1.352 0.02 A 5 LYS HGy H 1 1.352 0.02 A 5 LYS C C 13 176.422 0.20 A 5 LYS CA C 13 56.427 0.20 A 5 LYS CB C 13 33.240 0.20 A 5 LYS CG C 13 24.885 0.20 A 5 LYS N N 15 123.031 0.20 A 6 LEU H H 1 8.394 0.02 A 6 LEU HA H 1 4.261 0.02 A 6 LEU HBx H 1 1.595 0.02 A 6 LEU HBy H 1 1.595 0.02 A 6 LEU HDx% H 1 0.938 0.02 A 6 LEU HDy% H 1 0.938 0.02 A 6 LEU C C 13 177.383 0.20 A 6 LEU CA C 13 55.080 0.20 A 6 LEU CB C 13 42.853 0.20 A 6 LEU N N 15 123.979 0.20 A 7 ASN H H 1 8.550 0.02 A 7 ASN HA H 1 4.520 0.02 A 7 ASN HBx H 1 2.844 0.02 A 7 ASN HBy H 1 2.844 0.02 A 7 ASN C C 13 176.158 0.20 A 7 ASN CA C 13 54.476 0.20 A 7 ASN CB C 13 38.708 0.20 A 7 ASN N N 15 118.782 0.20 A 8 ASP H H 1 8.647 0.02 A 8 ASP HA H 1 4.537 0.02 A 8 ASP HBx H 1 2.579 0.02 A 8 ASP HBy H 1 2.579 0.02 A 8 ASP C C 13 177.162 0.20 A 8 ASP CA C 13 56.618 0.20 A 8 ASP CB C 13 41.005 0.20 A 8 ASP N N 15 120.026 0.20 A 9 GLU H H 1 8.370 0.02 A 9 GLU HA H 1 4.537 0.02 A 9 GLU HBx H 1 2.579 0.02 A 9 GLU HBy H 1 2.579 0.02 A 9 GLU CA C 13 59.477 0.20 A 9 GLU CB C 13 30.309 0.20 A 9 GLU CG C 13 36.390 0.20 A 9 GLU N N 15 120.770 0.20 A 10 VAL HA H 1 3.859 0.02 A 10 VAL HB H 1 2.186 0.02 A 10 VAL HG1% H 1 1.064 0.02 A 10 VAL HG2% H 1 1.064 0.02 A 10 VAL C C 13 178.427 0.20 A 10 VAL CA C 13 65.944 0.20 A 10 VAL CB C 13 31.768 0.20 A 10 VAL CGx C 13 22.650 0.20 A 10 VAL CGy C 13 22.650 0.20 A 11 ALA H H 1 7.879 0.02 A 11 ALA HA H 1 4.204 0.02 A 11 ALA HB% H 1 1.626 0.02 A 11 ALA C C 13 180.878 0.20 A 11 ALA CA C 13 55.240 0.20 A 11 ALA CB C 13 17.990 0.20 A 11 ALA N N 15 123.206 0.20 A 12 LEU H H 1 8.168 0.02 A 12 LEU HA H 1 4.199 0.02 A 12 LEU HDx% H 1 0.819 0.02 A 12 LEU HDy% H 1 0.819 0.02 A 12 LEU C C 13 177.600 0.20 A 12 LEU CA C 13 58.272 0.20 A 12 LEU CB C 13 41.590 0.20 A 12 LEU CDx C 13 22.670 0.20 A 12 LEU CDy C 13 22.670 0.20 A 12 LEU CG C 13 27.490 0.20 A 12 LEU N N 15 118.187 0.20 A 13 GLU H H 1 7.790 0.02 A 13 GLU HBx H 1 1.658 0.20 A 13 GLU HGx H 1 2.208 0.20 A 13 GLU C C 13 180.183 0.20 A 13 GLU CA C 13 59.802 0.20 A 13 GLU CB C 13 29.490 0.20 A 13 GLU CG C 13 35.880 0.20 A 13 GLU N N 15 120.620 0.20 A 14 ARG H H 1 8.518 0.02 A 14 ARG HA H 1 4.069 0.02 A 14 ARG HBx H 1 2.153 0.02 A 14 ARG C C 13 180.419 0.20 A 14 ARG CA C 13 58.176 0.20 A 14 ARG N N 15 121.156 0.20 A 15 LEU H H 1 8.574 0.02 A 15 LEU HA H 1 4.131 0.02 A 15 LEU C C 13 178.565 0.20 A 15 LEU CA C 13 60.330 0.20 A 15 LEU CB C 13 41.730 0.20 A 15 LEU N N 15 123.694 0.20 A 16 LYS H H 1 8.232 0.02 A 16 LYS HA H 1 4.168 0.02 A 16 LYS HEx H 1 2.723 0.02 A 16 LYS C C 13 177.969 0.20 A 16 LYS CA C 13 56.219 0.20 A 16 LYS CB C 13 30.143 0.20 A 16 LYS N N 15 117.441 0.20 A 17 ASN H H 1 8.063 0.02 A 17 ASN HA H 1 4.492 0.02 A 17 ASN C C 13 179.026 0.20 A 17 ASN CA C 13 59.470 0.20 A 17 ASN CB C 13 37.987 0.20 A 17 ASN N N 15 120.260 0.20 A 18 GLU H H 1 7.927 0.02 A 18 GLU HA H 1 4.231 0.02 A 18 GLU C C 13 178.708 0.20 A 18 GLU CA C 13 59.380 0.20 A 18 GLU CB C 13 30.060 0.20 A 18 GLU N N 15 119.954 0.20 A 19 ARG H H 1 7.796 0.02 A 19 ARG HA H 1 4.059 0.20 A 19 ARG HBx H 1 1.973 0.20 A 19 ARG HBy H 1 2.021 0.20 A 19 ARG CA C 13 59.683 0.20 A 19 ARG CB C 13 29.572 0.20 A 19 ARG CG C 13 35.790 0.20 A 19 ARG N N 15 119.108 0.20 A 20 HIS H H 1 8.059 0.20 A 20 HIS HA H 1 4.660 0.02 A 20 HIS HBx H 1 3.360 0.02 A 20 HIS HBy H 1 3.360 0.02 A 20 HIS C C 13 177.922 0.20 A 20 HIS CA C 13 59.300 0.20 A 20 HIS CB C 13 32.480 0.20 A 20 HIS N N 15 121.049 0.20 A 21 VAL H H 1 8.586 0.02 A 21 VAL HA H 1 4.117 0.02 A 21 VAL HB H 1 2.746 0.02 A 21 VAL C C 13 177.372 0.20 A 21 VAL CA C 13 65.949 0.20 A 21 VAL CB C 13 38.714 0.20 A 21 VAL CGx C 13 22.860 0.20 A 21 VAL CGy C 13 22.860 0.20 A 21 VAL N N 15 121.154 0.20 A 22 HIS H H 1 8.245 0.02 A 22 HIS HA H 1 4.655 0.02 A 22 HIS HBx H 1 3.365 0.02 A 22 HIS HBy H 1 3.365 0.02 A 22 HIS C C 13 176.573 0.20 A 22 HIS CA C 13 59.537 0.20 A 22 HIS N N 15 119.976 0.20 A 23 ASP H H 1 7.754 0.02 A 23 ASP HA H 1 4.523 0.02 A 23 ASP HBy H 1 2.980 0.02 A 23 ASP HBx H 1 2.786 0.02 A 23 ASP C C 13 179.217 0.20 A 23 ASP CA C 13 57.332 0.20 A 23 ASP CB C 13 40.428 0.20 A 23 ASP N N 15 118.741 0.20 A 24 GLU H H 1 8.230 0.02 A 24 GLU HA H 1 4.463 0.02 A 24 GLU C C 13 177.911 0.20 A 24 GLU CA C 13 60.150 0.20 A 24 GLU CB C 13 30.330 0.20 A 24 GLU CG C 13 36.900 0.20 A 24 GLU N N 15 122.440 0.20 A 25 GLU H H 1 8.500 0.02 A 25 GLU HA H 1 4.128 0.02 A 25 GLU HBx H 1 2.137 0.02 A 25 GLU HBy H 1 2.137 0.02 A 25 GLU HGx H 1 2.469 0.02 A 25 GLU HGy H 1 2.469 0.02 A 25 GLU C C 13 180.335 0.20 A 25 GLU CA C 13 59.663 0.20 A 25 GLU CB C 13 29.140 0.20 A 25 GLU CG C 13 36.850 0.20 A 25 GLU N N 15 118.028 0.20 A 26 VAL H H 1 8.179 0.02 A 26 VAL HA H 1 3.775 0.02 A 26 VAL HB H 1 2.144 0.02 A 26 VAL HGx% H 1 0.933 0.02 A 26 VAL HGy% H 1 0.933 0.02 A 26 VAL C C 13 178.904 0.20 A 26 VAL CA C 13 66.322 0.20 A 26 VAL CB C 13 32.160 0.20 A 26 VAL CGx C 13 22.450 0.20 A 26 VAL CGy C 13 22.450 0.20 A 26 VAL N N 15 120.498 0.20 A 27 GLU H H 1 7.853 0.02 A 27 GLU HA H 1 4.552 0.02 A 27 GLU C C 13 178.679 0.20 A 27 GLU CA C 13 58.758 0.20 A 27 GLU CB C 13 29.140 0.20 A 27 GLU CG C 13 35.610 0.20 A 27 GLU N N 15 122.155 0.20 A 28 LEU H H 1 8.503 0.02 A 28 LEU HA H 1 4.140 0.02 A 28 LEU HDx% H 1 0.811 0.02 A 28 LEU HDy% H 1 0.811 0.02 A 28 LEU HG H 1 1.422 0.02 A 28 LEU C C 13 177.980 0.20 A 28 LEU CA C 13 58.583 0.20 A 28 LEU CB C 13 42.320 0.20 A 28 LEU N N 15 120.080 0.20 A 29 GLU H H 1 7.872 0.02 A 29 GLU HA H 1 4.158 0.02 A 29 GLU HGx H 1 2.170 0.02 A 29 GLU C C 13 179.671 0.20 A 29 GLU CA C 13 59.683 0.20 A 29 GLU CB C 13 29.260 0.20 A 29 GLU CG C 13 35.780 0.20 A 29 GLU N N 15 119.767 0.20 A 30 ARG H H 1 8.059 0.02 A 30 ARG HA H 1 4.184 0.02 A 30 ARG C C 13 180.465 0.20 A 30 ARG CA C 13 58.263 0.20 A 30 ARG N N 15 121.049 0.20 A 31 LEU H H 1 8.427 0.02 A 31 LEU HA H 1 4.236 0.02 A 31 LEU C C 13 178.477 0.20 A 31 LEU CA C 13 60.007 0.20 A 31 LEU CB C 13 38.190 0.20 A 31 LEU N N 15 123.299 0.20 A 32 LYS H H 1 8.135 0.02 A 32 LYS HA H 1 4.376 0.02 A 32 LYS HBx H 1 2.869 0.02 A 32 LYS HBy H 1 2.869 0.02 A 32 LYS C C 13 177.999 0.20 A 32 LYS CA C 13 56.614 0.20 A 32 LYS CB C 13 29.910 0.20 A 32 LYS N N 15 123.299 0.20 A 33 ASN H H 1 8.126 0.02 A 33 ASN HA H 1 4.029 0.02 A 33 ASN HBx H 1 2.592 0.02 A 33 ASN HBy H 1 2.592 0.02 A 33 ASN C C 13 179.455 0.20 A 33 ASN CA C 13 59.524 0.20 A 33 ASN CB C 13 38.180 0.20 A 33 ASN N N 15 118.942 0.20 A 34 GLU H H 1 7.737 0.02 A 34 GLU HA H 1 4.234 0.02 A 34 GLU C C 13 179.288 0.20 A 34 GLU CA C 13 60.081 0.20 A 34 GLU CB C 13 29.750 0.20 A 34 GLU N N 15 120.076 0.20 A 35 ARG H H 1 7.899 0.02 A 35 ARG HA H 1 4.071 0.02 A 35 ARG C C 13 178.714 0.20 A 35 ARG CA C 13 59.339 0.20 A 35 ARG CB C 13 30.020 0.20 A 35 ARG N N 15 118.600 0.20 A 36 HIS H H 1 7.845 0.02 A 36 HIS HA H 1 4.455 0.02 A 36 HIS HBx H 1 2.935 0.02 A 36 HIS HBy H 1 2.935 0.02 A 36 HIS C C 13 175.635 0.20 A 36 HIS CA C 13 57.583 0.20 A 36 HIS CB C 13 30.400 0.20 A 36 HIS N N 15 116.033 0.20 A 37 ASP H H 1 8.035 0.02 A 37 ASP HA H 1 4.535 0.02 A 37 ASP HBx H 1 2.661 0.02 A 37 ASP HBy H 1 2.661 0.02 A 37 ASP C C 13 176.285 0.20 A 37 ASP CA C 13 55.669 0.20 A 37 ASP CB C 13 41.010 0.20 A 37 ASP N N 15 120.280 0.20 A 38 HIS H H 1 8.002 0.02 A 38 HIS HA H 1 4.633 0.02 A 38 HIS HBx H 1 3.126 0.02 A 38 HIS HBy H 1 3.126 0.02 A 38 HIS C C 13 174.320 0.20 A 38 HIS CA C 13 55.554 0.20 A 38 HIS CB C 13 29.788 0.20 A 38 HIS N N 15 117.129 0.20 A 39 ASP H H 1 8.193 0.02 A 39 ASP HA H 1 4.588 0.02 A 39 ASP HBx H 1 2.625 0.02 A 39 ASP HBy H 1 2.625 0.02 A 39 ASP C C 13 174.881 0.20 A 39 ASP CA C 13 54.593 0.20 A 39 ASP CB C 13 41.047 0.20 A 39 ASP N N 15 121.780 0.20 A 40 TYR H H 1 7.621 0.02 A 40 TYR HA H 1 4.443 0.20 A 40 TYR HBx H 1 3.033 0.02 A 40 TYR HBy H 1 3.033 0.02 A 40 TYR C C 13 180.272 0.20 A 40 TYR CA C 13 59.098 0.20 A 40 TYR CB C 13 39.293 0.02 A 40 TYR N N 15 124.679 0.20 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 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 6 LEU H A 5 LYS HBx 1.0 2.5 4.5 2 1 A 6 LEU H A 5 LYS HBy 1.0 2.5 4.5 3 2 A 6 LEU H A 6 LEU HBx 1.0 2.0 4.0 4 2 A 6 LEU H A 6 LEU HBy 1.0 2.0 4.0 5 3 A 6 LEU H A 6 LEU HDx% 1.0 3.0 5.0 6 4 A 8 ASP H A 7 ASN HBx 1.0 2.5 4.0 7 4 A 8 ASP H A 7 ASN HBy 1.0 2.5 4.0 8 5 A 8 ASP H A 9 GLU H 1.0 2.0 3.0 9 6 A 9 GLU H A 10 VAL H 1.0 2.0 3.0 10 7 A 10 VAL H A 9 GLU HA 1.0 3.0 4.0 11 8 A 10 VAL H A 10 VAL HA 1.0 2.0 3.0 12 9 A 10 VAL H A 10 VAL HB 1.0 2.0 3.0 13 10 A 10 VAL H A 10 VAL HG1% 1.0 2.0 3.0 14 11 A 10 VAL HB A 11 ALA H 1.0 3.0 4.0 15 12 A 11 ALA H A 11 ALA HA 1.0 2.0 3.0 16 13 A 11 ALA H A 11 ALA HB% 1.0 2.0 3.0 17 14 A 9 GLU H A 11 ALA H 1.0 3.0 4.0 18 15 A 11 ALA HB% A 12 LEU H 1.0 2.0 4.0 19 16 A 12 LEU H A 12 LEU HDx% 1.0 2.0 4.0 20 17 A 12 LEU H A 12 LEU HA 1.0 2.0 3.0 21 18 A 12 LEU H A 13 GLU H 1.0 2.0 3.0 22 19 A 13 GLU H A 13 GLU HA 1.0 2.0 3.0 23 20 A 13 GLU H A 13 GLU HGx 1.0 2.0 4.0 24 20 A 13 GLU H A 13 GLU HGy 1.0 2.0 4.0 25 21 A 13 GLU H A 14 ARG H 1.0 2.0 3.0 26 22 A 14 ARG H A 14 ARG HBx 1.0 2.0 3.0 27 22 A 14 ARG H A 14 ARG HBy 1.0 2.0 3.0 28 23 A 12 LEU H A 14 ARG H 1.0 3.9 4.9 29 24 A 14 ARG H A 14 ARG HA 1.0 2.0 3.0 30 25 A 13 GLU H A 15 LEU H 1.0 3.9 4.9 31 26 A 15 LEU H A 15 LEU HA 1.0 2.0 3.0 32 27 A 15 LEU H A 15 LEU HD11 1.0 3.0 5.0 33 28 A 16 LYS H A 16 LYS HA 1.0 3.0 4.0 34 29 A 15 LEU H A 16 LYS H 1.0 2.0 3.0 35 30 A 16 LYS H A 16 LYS HBx 1.0 2.0 4.0 36 30 A 16 LYS H A 16 LYS HBy 1.0 2.0 4.0 37 31 A 16 LYS H A 18 GLU H 1.0 3.0 4.0 38 32 A 18 GLU H A 17 ASN HA 1.0 3.0 4.0 39 33 A 18 GLU H A 18 GLU HA 1.0 2.0 3.0 40 34 A 18 GLU H A 18 GLU HBx 1.0 2.0 4.0 41 34 A 18 GLU H A 18 GLU HBy 1.0 2.0 4.0 42 35 A 19 ARG H A 19 ARG HA 1.0 2.0 3.0 43 36 A 21 VAL H A 21 VAL HA 1.0 2.0 3.0 44 37 A 21 VAL H A 21 VAL HG11 1.0 2.0 4.0 45 38 A 21 VAL H A 22 HIS H 1.0 2.0 3.0 46 39 A 21 VAL H A 21 VAL HG11 1.0 2.0 3.0 47 40 A 19 ARG HA A 22 HIS H 1.0 3.0 4.0 48 41 A 22 HIS H A 22 HIS HA 1.0 2.0 3.0 49 42 A 22 HIS H A 21 VAL HG11 1.0 2.0 4.0 50 43 A 22 HIS H A 22 HIS HBx 1.0 2.0 3.0 51 43 A 22 HIS H A 22 HIS HBy 1.0 2.0 3.0 52 44 A 21 VAL H A 23 ASP H 1.0 3.7 4.7 53 45 A 22 HIS H A 23 ASP H 1.0 2.0 3.0 54 46 A 23 ASP H A 23 ASP HA 1.0 2.0 3.0 55 47 A 24 GLU H A 24 GLU HA 1.0 2.0 3.0 56 48 A 24 GLU H A 24 GLU HGx 1.0 2.0 4.0 57 48 A 24 GLU H A 24 GLU HGy 1.0 2.0 4.0 58 49 A 24 GLU H A 25 GLU H 1.0 2.0 3.0 59 50 A 25 GLU H A 25 GLU HBx 1.0 2.0 4.0 60 50 A 25 GLU H A 25 GLU HBy 1.0 2.0 4.0 61 51 A 25 GLU H A 25 GLU HGx 1.0 2.0 4.0 62 51 A 25 GLU H A 25 GLU HGy 1.0 2.0 4.0 63 52 A 24 GLU HA A 25 GLU H 1.0 3.0 4.0 64 53 A 25 GLU H A 25 GLU HA 1.0 2.0 3.0 65 54 A 24 GLU HA A 25 GLU H 1.0 3.0 4.0 66 55 A 25 GLU H A 25 GLU HA 1.0 3.0 4.0 67 56 A 25 GLU HA A 26 VAL H 1.0 3.0 4.0 68 57 A 23 ASP HA A 26 VAL H 1.0 3.0 4.0 69 58 A 26 VAL H A 26 VAL HA 1.0 2.0 3.0 70 59 A 25 GLU H A 26 VAL H 1.0 3.0 4.0 71 60 A 26 VAL H A 26 VAL HB 1.0 2.0 3.0 72 61 A 26 VAL H A 26 VAL HGx% 1.0 2.0 4.0 73 62 A 27 GLU H A 26 VAL HGx% 1.0 2.0 4.0 74 63 A 26 VAL H A 27 GLU H 1.0 2.0 3.0 75 64 A 25 GLU H A 27 GLU H 1.0 3.0 4.0 76 65 A 27 GLU H A 27 GLU HA 1.0 2.0 3.0 77 66 A 26 VAL HA A 27 GLU H 1.0 3.0 4.0 78 67 A 27 GLU H A 28 LEU H 1.0 2.0 3.0 79 68 A 28 LEU H A 28 LEU HDx% 1.0 2.0 4.0 80 69 A 26 VAL H A 28 LEU H 1.0 3.7 4.7 81 70 A 28 LEU H A 28 LEU HA 1.0 2.0 3.0 82 71 A 28 LEU H A 28 LEU HG 1.0 3.0 4.0 83 72 A 28 LEU H A 29 GLU H 1.0 2.0 3.0 84 73 A 29 GLU H A 29 GLU HA 1.0 2.0 3.0 85 74 A 29 GLU H A 29 GLU HGx 1.0 2.0 4.0 86 74 A 29 GLU H A 29 GLU HGy 1.0 2.0 4.0 87 75 A 30 ARG H A 30 ARG HA 1.0 2.0 3.0 88 76 A 31 LEU H A 32 LYS H 1.0 2.0 3.0 89 77 A 31 LEU H A 33 ASN H 1.0 3.0 4.0 90 78 A 31 LEU H A 31 LEU HA 1.0 2.0 3.0 91 79 A 31 LEU H A 31 LEU HD11 1.0 3.0 5.0 92 80 A 33 ASN H A 32 LYS HA 1.0 3.0 4.0 93 81 A 33 ASN H A 32 LYS HBx 1.0 2.0 3.0 94 81 A 33 ASN H A 32 LYS HBy 1.0 2.0 3.0 95 82 A 33 ASN H A 33 ASN HA 1.0 2.0 3.0 96 83 A 33 ASN H A 33 ASN HBy 1.0 2.0 4.0 97 84 A 33 ASN H A 33 ASN HBx 1.0 2.0 3.0 98 85 A 33 ASN H A 34 GLU H 1.0 2.0 3.0 99 86 A 34 GLU H A 34 GLU HA 1.0 2.0 3.0 100 87 A 36 HIS H A 36 HIS HA 1.0 2.0 3.0 101 88 A 36 HIS H A 37 ASP H 1.0 2.0 3.0 102 89 A 37 ASP H A 37 ASP HBx 1.0 2.0 4.0 103 89 A 37 ASP H A 37 ASP HBy 1.0 2.0 4.0 104 90 A 38 HIS H A 37 ASP HBx 1.0 2.0 4.0 105 90 A 37 ASP HBy A 38 HIS H 1.0 2.0 4.0 106 91 A 38 HIS H A 38 HIS HBy 1.0 2.0 3.0 107 92 A 38 HIS H A 38 HIS HBx 1.0 2.0 3.0 108 93 A 38 HIS H A 39 ASP H 1.0 2.0 3.0 109 94 A 39 ASP H A 39 ASP HBx 1.0 2.0 4.0 110 94 A 39 ASP H A 39 ASP HBy 1.0 2.0 4.0 111 95 A 39 ASP H A 40 TYR H 1.0 2.0 3.0 112 96 A 40 TYR H A 40 TYR HBx 1.0 2.0 4.0 113 96 A 40 TYR H A 40 TYR HBy 1.0 2.0 4.0 114 97 A 4 LYS H A 3 VAL HA 1.0 3.0 4.0 115 98 A 4 LYS H A 4 LYS HBx 1.0 2.5 4.0 116 98 A 4 LYS H A 4 LYS HBy 1.0 2.5 4.0 117 99 A 5 LYS H A 5 LYS HA 1.0 2.5 3.5 118 100 A 6 LEU H A 5 LYS HA 1.0 3.0 4.0 119 101 A 6 LEU H A 5 LYS HBx 1.0 3.0 4.5 120 101 A 6 LEU H A 5 LYS HBy 1.0 3.0 4.5 121 102 A 6 LEU H A 6 LEU HBx 1.0 2.5 4.0 122 102 A 6 LEU H A 6 LEU HBy 1.0 2.5 4.0 123 103 A 9 GLU H A 9 GLU HBx 1.0 2.5 4.0 124 103 A 9 GLU H A 9 GLU HBy 1.0 2.5 4.0 125 104 A 10 VAL H A 9 GLU HBx 1.0 3.0 4.5 126 104 A 10 VAL H A 9 GLU HBy 1.0 3.0 4.5 127 105 A 10 VAL H A 10 VAL HB 1.0 2.5 4.0 128 106 A 10 VAL HB A 11 ALA H 1.0 3.0 4.0 129 107 A 11 ALA H A 11 ALA HB% 1.0 2.5 4.0 130 108 A 13 GLU H A 12 LEU HBx 1.0 3.0 4.5 131 108 A 13 GLU H A 12 LEU HBy 1.0 3.0 4.5 132 109 A 13 GLU H A 13 GLU HA 1.0 2.0 3.0 133 110 A 13 GLU H A 13 GLU HGx 1.0 2.5 4.5 134 110 A 13 GLU H A 13 GLU HGy 1.0 2.5 4.5 135 111 A 13 GLU H A 12 LEU HG 1.0 2.5 5.0 136 112 A 15 LEU HA A 16 LYS H 1.0 3.0 4.0 137 113 A 16 LYS H A 15 LEU HBx 1.0 3.0 4.5 138 113 A 16 LYS H A 15 LEU HBy 1.0 3.0 4.5 139 114 A 16 LYS H A 16 LYS HBx 1.0 2.5 4.0 140 114 A 16 LYS H A 16 LYS HBy 1.0 2.5 4.0 141 115 A 17 ASN H A 16 LYS HBx 1.0 3.0 4.5 142 115 A 16 LYS HBy A 17 ASN H 1.0 3.0 4.5 143 116 A 17 ASN HA A 17 ASN H 1.0 2.0 3.0 144 117 A 18 GLU H A 17 ASN HA 1.0 3.0 4.0 145 118 A 18 GLU H A 18 GLU HA 1.0 2.5 3.5 146 119 A 18 GLU H A 18 GLU HBx 1.0 2.5 4.0 147 119 A 18 GLU H A 18 GLU HBy 1.0 2.5 4.0 148 120 A 19 ARG H A 19 ARG HA 1.0 2.5 3.5 149 121 A 19 ARG H A 19 ARG HBx 1.0 2.5 4.0 150 121 A 19 ARG H A 19 ARG HBy 1.0 2.5 4.0 151 122 A 19 ARG H A 18 GLU HGx 1.0 3.0 4.5 152 122 A 19 ARG H A 18 GLU HGy 1.0 3.0 4.5 153 123 A 21 VAL H A 21 VAL HG21 1.0 2.5 4.0 154 123 A 21 VAL H A 21 VAL HG11 1.0 2.5 4.0 155 124 A 22 HIS H A 22 HIS HA 1.0 2.0 3.0 156 125 A 22 HIS H A 21 VAL HG21 1.0 2.5 4.0 157 125 A 22 HIS H A 21 VAL HG11 1.0 2.5 4.0 158 126 A 22 HIS HA A 23 ASP H 1.0 3.0 4.0 159 127 A 23 ASP H A 22 HIS HBx 1.0 3.0 4.5 160 127 A 22 HIS HBy A 23 ASP H 1.0 3.0 4.5 161 128 A 23 ASP H A 23 ASP HBy 1.0 2.5 4.0 162 128 A 23 ASP H A 23 ASP HBx 1.0 2.5 4.0 163 129 A 24 GLU H A 24 GLU HBx 1.0 2.5 4.0 164 129 A 24 GLU H A 24 GLU HBy 1.0 2.5 4.0 165 130 A 24 GLU H A 24 GLU HGx 1.0 3.0 4.5 166 130 A 24 GLU H A 24 GLU HGy 1.0 3.0 4.5 167 131 A 25 GLU H A 24 GLU HBx 1.0 3.0 4.5 168 131 A 25 GLU H A 24 GLU HBy 1.0 3.0 4.5 169 132 A 25 GLU H A 25 GLU HA 1.0 2.0 3.0 170 133 A 25 GLU H A 25 GLU HGx 1.0 3.0 4.5 171 133 A 25 GLU H A 25 GLU HGy 1.0 3.0 4.5 172 134 A 26 VAL H A 25 GLU HBx 1.0 3.0 4.5 173 134 A 25 GLU HBy A 26 VAL H 1.0 3.0 4.5 174 135 A 26 VAL H A 26 VAL HB 1.0 2.5 4.0 175 136 A 26 VAL H A 26 VAL HGy% 1.0 3.0 4.5 176 136 A 26 VAL H A 26 VAL HGx% 1.0 3.0 4.5 177 137 A 26 VAL H A 25 GLU HGx 1.0 3.0 4.5 178 137 A 25 GLU HGy A 26 VAL H 1.0 3.0 4.5 179 138 A 27 GLU H A 27 GLU HGx 1.0 3.0 4.5 180 138 A 27 GLU H A 27 GLU HGy 1.0 3.0 4.5 181 139 A 27 GLU H A 27 GLU HGx 1.0 3.0 5.0 182 139 A 27 GLU H A 27 GLU HGy 1.0 3.0 5.0 183 140 A 29 GLU H A 28 LEU HBx 1.0 3.0 4.5 184 140 A 29 GLU H A 28 LEU HBy 1.0 3.0 4.5 185 141 A 29 GLU H A 29 GLU HA 1.0 2.0 3.0 186 142 A 29 GLU H A 29 GLU HBx 1.0 2.5 4.0 187 142 A 29 GLU H A 29 GLU HBy 1.0 2.5 4.0 188 143 A 29 GLU H A 29 GLU HGx 1.0 3.0 4.5 189 143 A 29 GLU H A 29 GLU HGy 1.0 3.0 4.5 190 144 A 33 ASN H A 32 LYS HBx 1.0 3.0 4.5 191 144 A 33 ASN H A 32 LYS HBy 1.0 3.0 4.5 192 145 A 33 ASN H A 33 ASN HBy 1.0 2.5 4.0 193 145 A 33 ASN H A 33 ASN HBx 1.0 2.5 4.0 194 146 A 33 ASN HA A 34 GLU H 1.0 3.0 4.0 195 147 A 35 ARG H A 35 ARG HBx 1.0 2.5 4.0 196 147 A 35 ARG H A 35 ARG HBy 1.0 2.5 4.0 197 148 A 36 HIS H A 35 ARG HBx 1.0 3.0 4.5 198 148 A 36 HIS H A 35 ARG HBy 1.0 3.0 4.5 199 149 A 36 HIS H A 36 HIS HA 1.0 2.5 3.5 200 150 A 36 HIS H A 36 HIS HBx 1.0 2.5 4.0 201 150 A 36 HIS H A 36 HIS HBy 1.0 2.5 4.0 202 151 A 37 ASP H A 36 HIS HBx 1.0 3.0 4.5 203 151 A 37 ASP H A 36 HIS HBy 1.0 3.0 4.5 204 152 A 37 ASP H A 37 ASP HA 1.0 2.0 3.0 205 153 A 37 ASP H A 37 ASP HBx 1.0 2.5 4.0 206 153 A 37 ASP H A 37 ASP HBy 1.0 2.5 4.0 207 154 A 38 HIS H A 38 HIS HA 1.0 2.0 3.0 208 155 A 38 HIS H A 38 HIS HBx 1.0 2.5 4.0 209 155 A 38 HIS H A 38 HIS HBy 1.0 2.5 4.0 210 156 A 38 HIS H A 37 ASP HA 1.0 3.0 4.0 211 157 A 38 HIS H A 37 ASP HBx 1.0 3.0 4.5 212 157 A 37 ASP HBy A 38 HIS H 1.0 3.0 4.5 213 158 A 39 ASP H A 38 HIS HA 1.0 3.0 4.0 214 159 A 39 ASP H A 38 HIS HBx 1.0 3.0 4.5 215 159 A 39 ASP H A 38 HIS HBy 1.0 3.0 4.5 216 160 A 39 ASP H A 39 ASP HA 1.0 2.0 3.0 217 161 A 39 ASP H A 39 ASP HBx 1.0 2.5 4.0 218 161 A 39 ASP H A 39 ASP HBy 1.0 2.5 4.0 219 162 A 40 TYR H A 39 ASP HA 1.0 3.0 4.0 220 163 A 40 TYR H A 39 ASP HBx 1.0 3.0 4.5 221 163 A 39 ASP HBy A 40 TYR H 1.0 3.0 4.5 222 164 A 40 TYR H A 40 TYR HA 1.0 2.0 3.0 223 165 A 40 TYR H A 40 TYR HBx 1.0 2.5 4.0 224 165 A 40 TYR H A 40 TYR HBy 1.0 2.5 4.0 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.num_dimensions 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 ppm 1H 17 'not observed' 2 ppm 15N 32 'not observed' stop_ save_