data_nef_c30600_6oky 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 6OKY 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 ARG middle . . 20 A 20 HIS 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 ALA middle . . 33 A 33 ALA 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 1 GLY HAx H 1 4.070 0.02 A 1 GLY HAy H 1 4.080 0.02 A 1 GLY CA C 13 41.600 0.20 A 2 SER H H 1 8.099 0.02 A 2 SER HA H 1 4.460 0.02 A 2 SER HBx H 1 3.800 0.02 A 2 SER HBy H 1 3.800 0.02 A 2 SER C C 13 174.706 0.20 A 2 SER CA C 13 58.300 0.20 A 2 SER CB C 13 63.900 0.20 A 2 SER N N 15 119.389 0.20 A 3 VAL H H 1 8.337 0.02 A 3 VAL HA H 1 4.060 0.02 A 3 VAL HB H 1 2.020 0.02 A 3 VAL HGx% H 1 0.860 0.02 A 3 VAL HGy% H 1 0.860 0.02 A 3 VAL C C 13 176.328 0.20 A 3 VAL CA C 13 62.700 0.20 A 3 VAL CB C 13 32.500 0.20 A 3 VAL CGx C 13 21.100 0.20 A 3 VAL CGy C 13 21.100 0.20 A 3 VAL N N 15 121.800 0.20 A 4 GLU H H 1 8.520 0.02 A 4 GLU HA H 1 4.170 0.02 A 4 GLU HBx H 1 1.890 0.02 A 4 GLU HGy H 1 2.230 0.02 A 4 GLU C C 13 176.472 0.20 A 4 GLU CA C 13 56.900 0.20 A 4 GLU CB C 13 30.100 0.20 A 4 GLU CG C 13 36.400 0.20 A 4 GLU N N 15 124.733 0.20 A 5 LYS H H 1 8.314 0.02 A 5 LYS HA H 1 4.200 0.02 A 5 LYS HBx H 1 1.730 0.02 A 5 LYS HBy H 1 1.730 0.02 A 5 LYS HDx H 1 1.690 0.02 A 5 LYS HDy H 1 1.700 0.02 A 5 LYS HGx H 1 1.340 0.02 A 5 LYS HGy H 1 1.380 0.02 A 5 LYS C C 13 176.508 0.20 A 5 LYS CA C 13 56.500 0.20 A 5 LYS CB C 13 32.900 0.20 A 5 LYS CD C 13 29.100 0.20 A 5 LYS CG C 13 24.800 0.20 A 5 LYS N N 15 122.745 0.20 A 6 LEU H H 1 8.343 0.02 A 6 LEU HA H 1 4.330 0.02 A 6 LEU HBx H 1 1.630 0.02 A 6 LEU HBy H 1 1.630 0.02 A 6 LEU HDx% H 1 0.810 0.02 A 6 LEU HDy% H 1 0.840 0.02 A 6 LEU HG H 1 1.530 0.02 A 6 LEU C C 13 178.066 0.20 A 6 LEU CA C 13 55.400 0.20 A 6 LEU CB C 13 42.300 0.20 A 6 LEU CDy C 13 24.800 0.20 A 6 LEU CDx C 13 23.400 0.20 A 6 LEU CG C 13 27.100 0.20 A 6 LEU N N 15 123.485 0.20 A 7 THR H H 1 8.053 0.02 A 7 THR HA H 1 4.230 0.02 A 7 THR HG2% H 1 1.180 0.02 A 7 THR C C 13 174.793 0.20 A 7 THR CA C 13 62.200 0.20 A 7 THR CB C 13 70.000 0.20 A 7 THR CG2 C 13 21.800 0.20 A 7 THR N N 15 114.665 0.20 A 8 ALA H H 1 8.417 0.02 A 8 ALA HA H 1 4.190 0.02 A 8 ALA HB% H 1 1.360 0.02 A 8 ALA C C 13 178.705 0.20 A 8 ALA CA C 13 53.600 0.20 A 8 ALA CB C 13 18.700 0.20 A 8 ALA N N 15 125.799 0.20 A 9 ASP H H 1 8.374 0.02 A 9 ASP HA H 1 4.400 0.02 A 9 ASP HBx H 1 2.580 0.02 A 9 ASP HBy H 1 2.580 0.02 A 9 ASP C C 13 177.443 0.20 A 9 ASP CA C 13 56.500 0.20 A 9 ASP CB C 13 40.900 0.20 A 9 ASP N N 15 119.136 0.20 A 10 ALA H H 1 8.147 0.02 A 10 ALA HA H 1 4.100 0.02 A 10 ALA HB% H 1 1.400 0.02 A 10 ALA C C 13 179.763 0.20 A 10 ALA CA C 13 54.300 0.20 A 10 ALA CB C 13 18.800 0.20 A 10 ALA N N 15 123.800 0.20 A 11 GLU H H 1 8.209 0.02 A 11 GLU HA H 1 4.140 0.02 A 11 GLU HBx H 1 1.980 0.02 A 11 GLU HBy H 1 1.980 0.02 A 11 GLU HGx H 1 2.230 0.02 A 11 GLU HGy H 1 2.230 0.02 A 11 GLU C C 13 177.939 0.20 A 11 GLU CB C 13 29.500 0.20 A 11 GLU CG C 13 36.100 0.20 A 11 GLU N N 15 119.474 0.20 A 12 LEU H H 1 7.925 0.02 A 12 LEU HA H 1 4.080 0.02 A 12 LEU HBx H 1 1.710 0.02 A 12 LEU HBy H 1 1.710 0.02 A 12 LEU HDx% H 1 0.840 0.02 A 12 LEU HDy% H 1 0.860 0.02 A 12 LEU HG H 1 1.550 0.02 A 12 LEU C C 13 179.093 0.20 A 12 LEU CA C 13 57.100 0.20 A 12 LEU CB C 13 41.800 0.20 A 12 LEU CDx C 13 27.000 0.20 A 12 LEU CDy C 13 27.000 0.20 A 12 LEU CG C 13 27.000 0.20 A 12 LEU N N 15 120.646 0.20 A 13 GLN H H 1 8.043 0.02 A 13 GLN HA H 1 4.020 0.02 A 13 GLN HBx H 1 2.020 0.02 A 13 GLN HBy H 1 2.020 0.02 A 13 GLN HGx H 1 2.340 0.02 A 13 GLN HGy H 1 2.340 0.02 A 13 GLN C C 13 177.282 0.20 A 13 GLN CA C 13 57.500 0.20 A 13 GLN CB C 13 28.400 0.20 A 13 GLN CG C 13 33.700 0.20 A 13 GLN N N 15 118.443 0.20 A 14 ARG H H 1 7.946 0.02 A 14 ARG HA H 1 4.080 0.02 A 14 ARG HBx H 1 1.840 0.02 A 14 ARG HBy H 1 1.840 0.02 A 14 ARG C C 13 177.825 0.20 A 14 ARG CA C 13 58.300 0.20 A 14 ARG CB C 13 30.100 0.20 A 14 ARG CG C 13 27.400 0.20 A 14 ARG N N 15 120.607 0.20 A 15 LEU H H 1 8.037 0.02 A 15 LEU HA H 1 4.100 0.02 A 15 LEU HBx H 1 1.510 0.02 A 15 LEU HBy H 1 1.710 0.02 A 15 LEU HDx% H 1 0.820 0.02 A 15 LEU HDy% H 1 0.850 0.02 A 15 LEU HG H 1 1.690 0.02 A 15 LEU C C 13 178.568 0.20 A 15 LEU CA C 13 56.500 0.20 A 15 LEU CB C 13 42.000 0.20 A 15 LEU CDy C 13 25.000 0.20 A 15 LEU CDx C 13 23.400 0.20 A 15 LEU CG C 13 26.800 0.20 A 15 LEU N N 15 120.522 0.20 A 16 LYS H H 1 8.026 0.02 A 16 LYS HA H 1 4.070 0.02 A 16 LYS HBx H 1 1.780 0.02 A 16 LYS HBy H 1 1.780 0.02 A 16 LYS HDx H 1 1.780 0.02 A 16 LYS HDy H 1 1.780 0.02 A 16 LYS HGx H 1 1.360 0.02 A 16 LYS HGy H 1 1.380 0.02 A 16 LYS C C 13 177.524 0.20 A 16 LYS CA C 13 57.800 0.20 A 16 LYS CB C 13 32.600 0.20 A 16 LYS CG C 13 25.000 0.20 A 16 LYS N N 15 120.082 0.20 A 17 ASN H H 1 8.228 0.02 A 17 ASN HA H 1 4.570 0.02 A 17 ASN HBx H 1 2.790 0.02 A 17 ASN HBy H 1 2.790 0.02 A 17 ASN CA C 13 54.000 0.20 A 17 ASN CB C 13 38.700 0.20 A 17 ASN N N 15 118.679 0.20 A 18 GLU H H 1 8.273 0.02 A 18 GLU HA H 1 4.140 0.02 A 18 GLU HBx H 1 1.960 0.02 A 18 GLU HBy H 1 1.970 0.02 A 18 GLU HGx H 1 2.280 0.02 A 18 GLU HGy H 1 2.280 0.02 A 18 GLU C C 13 176.921 0.20 A 18 GLU CA C 13 57.400 0.20 A 18 GLU CB C 13 30.100 0.20 A 18 GLU CG C 13 36.500 0.20 A 18 GLU N N 15 121.021 0.20 A 19 ARG H H 1 8.212 0.02 A 19 ARG HA H 1 4.220 0.02 A 19 ARG HBx H 1 1.770 0.02 A 19 ARG HBy H 1 1.770 0.02 A 19 ARG HDx H 1 3.160 0.02 A 19 ARG HDy H 1 3.160 0.02 A 19 ARG HGx H 1 1.560 0.02 A 19 ARG HGy H 1 1.560 0.02 A 19 ARG C C 13 176.762 0.20 A 19 ARG CA C 13 56.600 0.20 A 19 ARG CB C 13 30.100 0.20 A 19 ARG CD C 13 43.300 0.20 A 19 ARG CG C 13 27.100 0.20 A 19 ARG N N 15 120.555 0.20 A 20 HIS H H 1 8.397 0.02 A 20 HIS HA H 1 4.540 0.02 A 20 HIS HBx H 1 3.150 0.02 A 20 HIS HBy H 1 3.150 0.02 A 20 HIS C C 13 175.582 0.20 A 20 HIS CA C 13 56.700 0.20 A 20 HIS CB C 13 29.500 0.20 A 20 HIS N N 15 120.528 0.20 A 21 GLU H H 1 8.614 0.02 A 21 GLU HA H 1 4.110 0.02 A 21 GLU HBx H 1 1.950 0.02 A 21 GLU HBy H 1 1.950 0.02 A 21 GLU HGx H 1 2.240 0.02 A 21 GLU HGy H 1 2.240 0.02 A 21 GLU C C 13 177.583 0.20 A 21 GLU CA C 13 57.800 0.20 A 21 GLU CB C 13 29.900 0.20 A 21 GLU CG C 13 36.400 0.20 A 21 GLU N N 15 121.597 0.20 A 22 GLU H H 1 8.547 0.02 A 22 GLU HA H 1 4.070 0.02 A 22 GLU HBx H 1 1.990 0.02 A 22 GLU HBy H 1 1.990 0.02 A 22 GLU HGx H 1 2.250 0.02 A 22 GLU HGy H 1 2.250 0.02 A 22 GLU C C 13 177.603 0.20 A 22 GLU CA C 13 58.200 0.20 A 22 GLU CB C 13 29.900 0.20 A 22 GLU CG C 13 36.500 0.20 A 22 GLU N N 15 121.441 0.20 A 23 ALA H H 1 8.260 0.02 A 23 ALA HA H 1 4.160 0.02 A 23 ALA HB% H 1 1.380 0.02 A 23 ALA C C 13 179.599 0.20 A 23 ALA CA C 13 53.900 0.20 A 23 ALA CB C 13 18.500 0.20 A 23 ALA N N 15 123.378 0.20 A 24 GLU H H 1 8.185 0.02 A 24 GLU HA H 1 4.130 0.02 A 24 GLU HBx H 1 1.980 0.02 A 24 GLU HBy H 1 1.980 0.02 A 24 GLU HGx H 1 2.160 0.02 A 24 GLU HGy H 1 2.160 0.02 A 24 GLU CA C 13 58.000 0.20 A 24 GLU CB C 13 29.800 0.20 A 24 GLU CG C 13 36.200 0.20 A 24 GLU N N 15 119.803 0.20 A 25 LEU H H 1 7.987 0.02 A 25 LEU CA C 13 57.200 0.20 A 25 LEU CB C 13 41.600 0.20 A 25 LEU N N 15 120.649 0.20 A 26 GLU HA H 1 4.010 0.02 A 26 GLU HBx H 1 1.990 0.02 A 26 GLU HBy H 1 1.990 0.02 A 26 GLU HGx H 1 2.240 0.02 A 26 GLU HGy H 1 2.240 0.02 A 26 GLU C C 13 178.324 0.20 A 26 GLU CA C 13 58.400 0.20 A 26 GLU CB C 13 29.500 0.20 A 26 GLU CG C 13 36.200 0.20 A 27 ARG H H 1 8.031 0.02 A 27 ARG HA H 1 4.090 0.02 A 27 ARG HBx H 1 1.820 0.02 A 27 ARG HBy H 1 1.820 0.02 A 27 ARG C C 13 178.036 0.20 A 27 ARG CA C 13 58.400 0.20 A 27 ARG CB C 13 30.000 0.20 A 27 ARG CD C 13 43.300 0.20 A 27 ARG CG C 13 27.300 0.20 A 27 ARG N N 15 121.509 0.20 A 28 LEU H H 1 8.144 0.02 A 28 LEU HA H 1 4.080 0.02 A 28 LEU HBx H 1 1.720 0.02 A 28 LEU HBy H 1 1.720 0.02 A 28 LEU HDx% H 1 0.810 0.02 A 28 LEU HDy% H 1 0.840 0.02 A 28 LEU HG H 1 1.720 0.02 A 28 LEU C C 13 179.221 0.20 A 28 LEU CA C 13 58.300 0.20 A 28 LEU CB C 13 41.900 0.20 A 28 LEU CDx C 13 26.900 0.20 A 28 LEU CDy C 13 26.900 0.20 A 28 LEU CG C 13 27.100 0.20 A 28 LEU N N 15 120.612 0.20 A 29 LYS H H 1 8.063 0.02 A 29 LYS HA H 1 4.100 0.02 A 29 LYS HBx H 1 1.820 0.02 A 29 LYS HBy H 1 1.820 0.02 A 29 LYS HDx H 1 1.820 0.02 A 29 LYS HDy H 1 1.820 0.02 A 29 LYS HGx H 1 1.490 0.02 A 29 LYS HGy H 1 1.490 0.02 A 29 LYS C C 13 178.299 0.20 A 29 LYS CA C 13 58.300 0.20 A 29 LYS CB C 13 32.600 0.20 A 29 LYS CD C 13 29.500 0.20 A 29 LYS CG C 13 25.100 0.20 A 29 LYS N N 15 120.657 0.20 A 30 SER H H 1 8.166 0.02 A 30 SER HA H 1 4.260 0.02 A 30 SER HBx H 1 3.910 0.02 A 30 SER HBy H 1 3.910 0.02 A 30 SER C C 13 175.828 0.20 A 30 SER CA C 13 60.000 0.20 A 30 SER CB C 13 63.500 0.20 A 30 SER N N 15 116.423 0.20 A 31 GLU H H 1 8.354 0.02 A 31 GLU HA H 1 4.140 0.02 A 31 GLU HBx H 1 1.970 0.02 A 31 GLU HBy H 1 1.970 0.02 A 31 GLU HGx H 1 2.180 0.02 A 31 GLU HGy H 1 2.180 0.02 A 31 GLU C C 13 177.662 0.20 A 31 GLU CA C 13 57.900 0.20 A 31 GLU CB C 13 29.800 0.20 A 31 GLU CG C 13 36.500 0.20 A 31 GLU N N 15 122.538 0.20 A 32 ALA H H 1 8.067 0.02 A 32 ALA HA H 1 4.170 0.02 A 32 ALA HB% H 1 1.390 0.02 A 32 ALA C C 13 178.529 0.20 A 32 ALA CA C 13 53.600 0.20 A 32 ALA CB C 13 18.600 0.20 A 32 ALA N N 15 123.472 0.20 A 33 ALA H H 1 8.056 0.02 A 33 ALA HA H 1 4.180 0.02 A 33 ALA HB% H 1 1.390 0.02 A 33 ALA C C 13 178.883 0.20 A 33 ALA CA C 13 53.600 0.20 A 33 ALA CB C 13 18.700 0.20 A 33 ALA N N 15 121.892 0.20 A 34 ASP H H 1 8.143 0.02 A 34 ASP HA H 1 4.470 0.02 A 34 ASP HBx H 1 2.630 0.02 A 34 ASP HBy H 1 2.630 0.02 A 34 ASP C C 13 177.190 0.20 A 34 ASP CA C 13 54.300 0.20 A 34 ASP CB C 13 41.000 0.20 A 34 ASP N N 15 118.926 0.20 A 35 HIS H H 1 8.215 0.02 A 35 HIS HA H 1 4.350 0.02 A 35 HIS HBx H 1 3.220 0.02 A 35 HIS HBy H 1 3.220 0.02 A 35 HIS C C 13 176.073 0.20 A 35 HIS CA C 13 57.900 0.20 A 35 HIS CB C 13 29.200 0.20 A 35 HIS N N 15 119.072 0.20 A 36 ASP H H 1 8.430 0.02 A 36 ASP HA H 1 4.390 0.02 A 36 ASP HBx H 1 2.660 0.02 A 36 ASP HBy H 1 2.660 0.02 A 36 ASP C C 13 177.653 0.20 A 36 ASP CA C 13 55.900 0.20 A 36 ASP CB C 13 40.500 0.20 A 36 ASP N N 15 120.315 0.20 A 37 LYS H H 1 8.115 0.02 A 37 LYS HA H 1 4.110 0.02 A 37 LYS HBx H 1 1.840 0.02 A 37 LYS HBy H 1 1.840 0.02 A 37 LYS HDx H 1 1.820 0.02 A 37 LYS HDy H 1 1.820 0.02 A 37 LYS HGx H 1 1.380 0.02 A 37 LYS HGy H 1 1.380 0.02 A 37 LYS C C 13 177.872 0.20 A 37 LYS CA C 13 58.100 0.20 A 37 LYS CB C 13 32.500 0.20 A 37 LYS CG C 13 24.900 0.20 A 37 LYS N N 15 122.201 0.20 A 38 LYS H H 1 8.181 0.02 A 38 LYS HA H 1 4.080 0.02 A 38 LYS HBx H 1 1.770 0.02 A 38 LYS HBy H 1 1.770 0.02 A 38 LYS HDx H 1 1.770 0.02 A 38 LYS HDy H 1 1.770 0.02 A 38 LYS HEx H 1 2.790 0.02 A 38 LYS HEy H 1 2.790 0.02 A 38 LYS HGx H 1 1.420 0.02 A 38 LYS HGy H 1 1.420 0.02 A 38 LYS CA C 13 57.900 0.20 A 38 LYS CB C 13 32.300 0.20 A 38 LYS CG C 13 25.200 0.20 A 38 LYS N N 15 120.768 0.20 A 39 GLU H H 1 8.273 0.02 A 39 GLU HA H 1 4.080 0.02 A 39 GLU HBx H 1 1.910 0.02 A 39 GLU HBy H 1 1.910 0.02 A 39 GLU HGx H 1 2.130 0.02 A 39 GLU HGy H 1 2.130 0.02 A 39 GLU C C 13 177.671 0.20 A 39 GLU CA C 13 57.900 0.20 A 39 GLU CB C 13 29.800 0.20 A 39 GLU CG C 13 36.100 0.20 A 39 GLU N N 15 121.000 0.20 A 40 ALA H H 1 8.111 0.02 A 40 ALA HA H 1 4.080 0.02 A 40 ALA HB% H 1 1.380 0.02 A 40 ALA C C 13 179.745 0.20 A 40 ALA CA C 13 54.000 0.20 A 40 ALA CB C 13 18.400 0.20 A 40 ALA N N 15 123.123 0.20 A 41 GLU H H 1 8.143 0.02 A 41 GLU HA H 1 4.040 0.02 A 41 GLU HBx H 1 1.980 0.02 A 41 GLU HBy H 1 1.980 0.02 A 41 GLU HGx H 1 2.160 0.02 A 41 GLU HGy H 1 2.160 0.02 A 41 GLU C C 13 177.790 0.20 A 41 GLU CA C 13 57.800 0.20 A 41 GLU CB C 13 30.000 0.20 A 41 GLU CG C 13 36.600 0.20 A 41 GLU N N 15 119.359 0.20 A 42 ARG H H 1 8.059 0.02 A 42 ARG HA H 1 4.080 0.02 A 42 ARG HBx H 1 1.800 0.02 A 42 ARG HBy H 1 1.800 0.02 A 42 ARG HGx H 1 1.540 0.02 A 42 ARG HGy H 1 1.540 0.02 A 42 ARG C C 13 177.808 0.20 A 42 ARG CA C 13 58.100 0.20 A 42 ARG CB C 13 30.200 0.20 A 42 ARG CD C 13 43.300 0.20 A 42 ARG CG C 13 27.200 0.20 A 42 ARG N N 15 121.211 0.20 A 43 LYS H H 1 8.224 0.02 A 43 LYS HA H 1 4.060 0.02 A 43 LYS HBx H 1 1.760 0.02 A 43 LYS HBy H 1 1.760 0.02 A 43 LYS HDx H 1 1.760 0.02 A 43 LYS HDy H 1 1.760 0.02 A 43 LYS HGx H 1 1.420 0.02 A 43 LYS HGy H 1 1.420 0.02 A 43 LYS C C 13 177.347 0.20 A 43 LYS CA C 13 57.700 0.20 A 43 LYS CB C 13 32.600 0.20 A 43 LYS CD C 13 29.000 0.20 A 43 LYS CG C 13 24.900 0.20 A 43 LYS N N 15 121.192 0.20 A 44 ALA H H 1 8.005 0.02 A 44 ALA HA H 1 4.160 0.02 A 44 ALA HB% H 1 1.360 0.02 A 44 ALA C C 13 178.819 0.20 A 44 ALA CA C 13 53.500 0.20 A 44 ALA CB C 13 18.500 0.20 A 44 ALA N N 15 122.591 0.20 A 45 LEU H H 1 7.859 0.02 A 45 LEU HA H 1 4.180 0.02 A 45 LEU HBx H 1 1.670 0.02 A 45 LEU HBy H 1 1.670 0.02 A 45 LEU HDx% H 1 0.820 0.02 A 45 LEU HDy% H 1 0.850 0.02 A 45 LEU HG H 1 1.570 0.02 A 45 LEU C C 13 178.216 0.20 A 45 LEU CA C 13 56.000 0.20 A 45 LEU CB C 13 42.300 0.20 A 45 LEU CDx C 13 24.800 0.20 A 45 LEU CDy C 13 24.800 0.20 A 45 LEU CG C 13 27.000 0.20 A 45 LEU N N 15 119.609 0.20 A 46 GLU H H 1 8.131 0.02 A 46 GLU HA H 1 4.100 0.02 A 46 GLU HBx H 1 1.970 0.02 A 46 GLU HBy H 1 1.970 0.02 A 46 GLU HGx H 1 2.220 0.02 A 46 GLU HGy H 1 2.240 0.02 A 46 GLU C C 13 177.045 0.20 A 46 GLU CA C 13 57.400 0.20 A 46 GLU CB C 13 30.100 0.20 A 46 GLU CG C 13 36.500 0.20 A 46 GLU N N 15 120.151 0.20 A 47 ASP H H 1 8.244 0.02 A 47 ASP HA H 1 4.490 0.02 A 47 ASP HBx H 1 2.590 0.02 A 47 ASP HBy H 1 2.590 0.02 A 47 ASP C C 13 176.449 0.20 A 47 ASP CA C 13 58.000 0.20 A 47 ASP CB C 13 40.900 0.20 A 47 ASP N N 15 120.624 0.20 A 48 LYS H H 1 7.993 0.02 A 48 LYS HA H 1 4.200 0.02 A 48 LYS HBx H 1 1.770 0.02 A 48 LYS HBy H 1 1.770 0.02 A 48 LYS HDx H 1 1.770 0.02 A 48 LYS HDy H 1 1.770 0.02 A 48 LYS HGx H 1 1.390 0.02 A 48 LYS HGy H 1 1.390 0.02 A 48 LYS C C 13 176.686 0.20 A 48 LYS CA C 13 56.400 0.20 A 48 LYS CB C 13 32.700 0.20 A 48 LYS CD C 13 29.100 0.20 A 48 LYS CG C 13 24.500 0.20 A 48 LYS N N 15 120.914 0.20 A 49 LEU H H 1 8.167 0.02 A 49 LEU HA H 1 4.210 0.02 A 49 LEU HBx H 1 1.600 0.02 A 49 LEU HBy H 1 1.600 0.02 A 49 LEU HDx% H 1 0.810 0.02 A 49 LEU HDy% H 1 0.840 0.02 A 49 LEU HG H 1 1.500 0.02 A 49 LEU C C 13 177.133 0.20 A 49 LEU CA C 13 55.200 0.20 A 49 LEU CB C 13 42.200 0.20 A 49 LEU CDy C 13 24.800 0.20 A 49 LEU CDx C 13 23.300 0.20 A 49 LEU CG C 13 26.800 0.20 A 49 LEU N N 15 122.743 0.20 A 50 ALA H H 1 8.047 0.02 A 50 ALA HA H 1 4.190 0.02 A 50 ALA HB% H 1 1.240 0.02 A 50 ALA CA C 13 52.200 0.20 A 50 ALA CB C 13 19.200 0.20 A 50 ALA N N 15 123.972 0.20 A 51 ASP H H 1 8.099 0.02 A 51 ASP HA H 1 4.470 0.02 A 51 ASP HBx H 1 2.420 0.02 A 51 ASP HBy H 1 2.420 0.02 A 51 ASP C C 13 174.788 0.20 A 51 ASP CA C 13 54.900 0.20 A 51 ASP CB C 13 41.200 0.20 A 51 ASP N N 15 119.708 0.20 A 52 TYR H H 1 7.495 0.02 A 52 TYR C C 13 180.300 0.20 A 52 TYR CA C 13 59.060 0.20 A 52 TYR N N 15 124.396 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 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 4 GLU HA A 6 LEU H 1.0 3.9 4.9 20 15 A 5 LYS HA A 6 LEU H 1.0 3.0 4.0 21 16 A 6 LEU H A 5 LYS HBx 1.0 3.0 4.5 22 16 A 5 LYS HBy A 6 LEU H 1.0 3.0 4.5 23 17 A 6 LEU H A 6 LEU HA 1.0 2.5 3.5 24 18 A 6 LEU H A 6 LEU HBx 1.0 2.5 4.0 25 18 A 6 LEU H A 6 LEU HBy 1.0 2.5 4.0 26 19 A 6 LEU H A 6 LEU HG 1.0 3.0 5.0 27 20 A 6 LEU H A 7 THR H 1.0 2.3 3.3 28 21 A 6 LEU HA A 7 THR H 1.0 3.0 4.0 29 22 A 7 THR H A 6 LEU HBx 1.0 3.0 4.5 30 22 A 6 LEU HBy A 7 THR H 1.0 3.0 4.5 31 23 A 7 THR H A 7 THR HA 1.0 2.5 3.5 32 24 A 7 THR H A 7 THR HB 1.0 2.5 4.0 33 25 A 7 THR H A 7 THR HG2% 1.0 2.5 4.5 34 26 A 8 ALA H A 8 ALA HA 1.0 2.5 3.5 35 27 A 8 ALA H A 8 ALA HB% 1.0 2.5 4.0 36 28 A 8 ALA HA A 9 ASP H 1.0 3.0 4.0 37 29 A 8 ALA HB% A 9 ASP H 1.0 3.0 4.5 38 30 A 9 ASP H A 9 ASP HA 1.0 2.5 3.5 39 31 A 9 ASP H A 9 ASP HBx 1.0 2.5 4.0 40 31 A 9 ASP H A 9 ASP HBy 1.0 2.5 4.0 41 32 A 9 ASP HA A 10 ALA H 1.0 3.0 4.0 42 33 A 10 ALA H A 9 ASP HBx 1.0 3.0 4.5 43 33 A 9 ASP HBy A 10 ALA H 1.0 3.0 4.5 44 34 A 10 ALA H A 10 ALA HA 1.0 2.5 3.5 45 35 A 10 ALA H A 10 ALA HB% 1.0 2.5 4.0 46 36 A 10 ALA HA A 11 GLU H 1.0 3.0 4.0 47 37 A 10 ALA HB% A 11 GLU H 1.0 3.0 4.5 48 38 A 11 GLU H A 11 GLU HA 1.0 2.5 3.5 49 39 A 11 GLU H A 11 GLU HBx 1.0 2.5 4.0 50 39 A 11 GLU H A 11 GLU HBy 1.0 2.5 4.0 51 40 A 11 GLU H A 12 LEU H 1.0 2.3 3.3 52 41 A 11 GLU HA A 12 LEU H 1.0 3.0 4.0 53 42 A 12 LEU H A 11 GLU HBx 1.0 3.0 4.5 54 42 A 11 GLU HBy A 12 LEU H 1.0 3.0 4.5 55 43 A 12 LEU H A 12 LEU HA 1.0 2.5 3.5 56 44 A 12 LEU H A 12 LEU HBx 1.0 2.5 4.0 57 44 A 12 LEU H A 12 LEU HBy 1.0 2.5 4.0 58 45 A 12 LEU H A 12 LEU HG 1.0 2.5 4.0 59 46 A 12 LEU H A 12 LEU HDx% 1.0 2.5 4.5 60 47 A 9 ASP HA A 12 LEU H 1.0 3.0 4.0 61 48 A 10 ALA HA A 12 LEU H 1.0 3.9 4.9 62 49 A 12 LEU HA A 13 GLN H 1.0 3.0 4.0 63 50 A 13 GLN H A 12 LEU HBx 1.0 3.0 4.5 64 50 A 12 LEU HBy A 13 GLN H 1.0 3.0 4.5 65 51 A 13 GLN H A 13 GLN HA 1.0 2.5 3.5 66 52 A 13 GLN H A 13 GLN HBx 1.0 2.5 4.0 67 52 A 13 GLN H A 13 GLN HBy 1.0 2.5 4.0 68 53 A 13 GLN H A 13 GLN HGx 1.0 2.5 4.5 69 53 A 13 GLN H A 13 GLN HGy 1.0 2.5 4.5 70 54 A 13 GLN HA A 14 ARG H 1.0 3.0 4.0 71 55 A 14 ARG H A 13 GLN HBx 1.0 3.0 4.5 72 55 A 13 GLN HBy A 14 ARG H 1.0 3.0 4.5 73 56 A 14 ARG H A 14 ARG HA 1.0 2.5 3.5 74 57 A 14 ARG H A 14 ARG HBx 1.0 2.5 4.0 75 57 A 14 ARG H A 14 ARG HBy 1.0 2.5 4.0 76 58 A 14 ARG HA A 15 LEU H 1.0 3.0 4.0 77 59 A 15 LEU H A 14 ARG HBx 1.0 3.0 4.5 78 59 A 14 ARG HBy A 15 LEU H 1.0 3.0 4.5 79 60 A 15 LEU H A 15 LEU HA 1.0 2.5 3.5 80 61 A 15 LEU H A 15 LEU HBx 1.0 2.5 4.0 81 61 A 15 LEU H A 15 LEU HBy 1.0 2.5 4.0 82 62 A 15 LEU HA A 16 LYS H 1.0 3.0 4.0 83 63 A 16 LYS H A 15 LEU HBx 1.0 3.0 4.5 84 63 A 15 LEU HBy A 16 LYS H 1.0 3.0 4.5 85 64 A 16 LYS H A 16 LYS HA 1.0 2.5 3.5 86 65 A 16 LYS H A 16 LYS HBx 1.0 2.5 4.0 87 65 A 16 LYS H A 16 LYS HBy 1.0 2.5 4.0 88 66 A 14 ARG HA A 16 LYS H 1.0 3.9 4.9 89 67 A 16 LYS HA A 17 ASN H 1.0 3.0 4.0 90 68 A 17 ASN H A 16 LYS HBx 1.0 3.0 4.5 91 68 A 16 LYS HBy A 17 ASN H 1.0 3.0 4.5 92 69 A 17 ASN H A 17 ASN HA 1.0 2.5 3.5 93 70 A 17 ASN H A 17 ASN HBx 1.0 2.5 4.0 94 70 A 17 ASN H A 17 ASN HBy 1.0 2.5 4.0 95 71 A 17 ASN HA A 18 GLU H 1.0 3.0 4.0 96 72 A 18 GLU H A 17 ASN HBx 1.0 3.0 4.5 97 72 A 17 ASN HBy A 18 GLU H 1.0 3.0 4.5 98 73 A 18 GLU H A 18 GLU HA 1.0 2.5 3.5 99 74 A 18 GLU H A 18 GLU HBx 1.0 2.5 4.0 100 74 A 18 GLU H A 18 GLU HBy 1.0 2.5 4.0 101 75 A 16 LYS HA A 18 GLU H 1.0 3.9 4.9 102 76 A 18 GLU HA A 19 ARG H 1.0 3.0 4.0 103 77 A 19 ARG H A 18 GLU HBx 1.0 3.0 4.5 104 77 A 18 GLU HBy A 19 ARG H 1.0 3.0 4.5 105 78 A 19 ARG H A 19 ARG HA 1.0 2.5 3.5 106 79 A 19 ARG H A 19 ARG HBx 1.0 2.5 4.0 107 79 A 19 ARG H A 19 ARG HBy 1.0 2.5 4.0 108 80 A 20 HIS H A 20 HIS HA 1.0 2.5 3.5 109 81 A 20 HIS H A 20 HIS HBx 1.0 2.5 4.0 110 81 A 20 HIS H A 20 HIS HBy 1.0 2.5 4.0 111 82 A 20 HIS HA A 21 GLU H 1.0 3.0 4.0 112 83 A 21 GLU H A 20 HIS HBx 1.0 3.0 4.5 113 83 A 20 HIS HBy A 21 GLU H 1.0 3.0 4.5 114 84 A 21 GLU H A 21 GLU HA 1.0 2.5 3.5 115 85 A 21 GLU H A 21 GLU HBx 1.0 2.5 4.0 116 85 A 21 GLU H A 21 GLU HBy 1.0 2.5 4.0 117 86 A 21 GLU H A 21 GLU HGx 1.0 2.5 4.0 118 86 A 21 GLU H A 21 GLU HGy 1.0 2.5 4.0 119 87 A 21 GLU HA A 22 GLU H 1.0 3.0 4.0 120 88 A 22 GLU H A 21 GLU HBx 1.0 3.0 4.5 121 88 A 21 GLU HBy A 22 GLU H 1.0 3.0 4.5 122 89 A 22 GLU H A 22 GLU HA 1.0 2.5 3.5 123 90 A 22 GLU H A 22 GLU HBx 1.0 2.5 4.0 124 90 A 22 GLU H A 22 GLU HBy 1.0 2.5 4.0 125 91 A 22 GLU H A 22 GLU HGx 1.0 2.5 4.0 126 91 A 22 GLU H A 22 GLU HGy 1.0 2.5 4.0 127 92 A 20 HIS HA A 22 GLU H 1.0 3.9 4.9 128 93 A 22 GLU H A 23 ALA H 1.0 2.3 3.3 129 94 A 22 GLU HA A 23 ALA H 1.0 3.0 4.0 130 95 A 23 ALA H A 22 GLU HBx 1.0 3.0 4.5 131 95 A 22 GLU HBy A 23 ALA H 1.0 3.0 4.5 132 96 A 23 ALA H A 23 ALA HA 1.0 2.5 3.5 133 97 A 23 ALA H A 23 ALA HB% 1.0 2.5 4.0 134 98 A 20 HIS HA A 23 ALA H 1.0 3.0 4.5 135 99 A 23 ALA H A 22 GLU HGx 1.0 2.5 4.0 136 99 A 22 GLU HGy A 23 ALA H 1.0 2.5 4.0 137 100 A 23 ALA HA A 24 GLU H 1.0 3.0 4.0 138 101 A 23 ALA HB% A 24 GLU H 1.0 3.0 4.5 139 102 A 24 GLU H A 24 GLU HA 1.0 2.5 3.5 140 103 A 24 GLU H A 24 GLU HBx 1.0 2.5 4.0 141 103 A 24 GLU H A 24 GLU HBy 1.0 2.5 4.0 142 104 A 24 GLU H A 24 GLU HGx 1.0 2.5 4.0 143 104 A 24 GLU H A 24 GLU HGy 1.0 2.5 4.0 144 105 A 24 GLU HA A 25 LEU H 1.0 3.0 4.0 145 106 A 25 LEU H A 24 GLU HBx 1.0 3.0 4.5 146 106 A 24 GLU HBy A 25 LEU H 1.0 3.0 4.5 147 107 A 25 LEU H A 25 LEU HA 1.0 2.5 3.5 148 108 A 25 LEU H A 25 LEU HBx 1.0 2.5 4.0 149 108 A 25 LEU H A 25 LEU HBy 1.0 2.5 4.0 150 109 A 25 LEU H A 25 LEU HG 1.0 2.5 4.5 151 110 A 22 GLU HA A 25 LEU H 1.0 3.0 4.0 152 111 A 25 LEU H A 24 GLU HGx 1.0 3.0 4.5 153 111 A 24 GLU HGy A 25 LEU H 1.0 3.0 4.5 154 112 A 25 LEU HA A 26 GLU H 1.0 3.0 4.0 155 113 A 26 GLU H A 25 LEU HBx 1.0 3.0 4.5 156 113 A 25 LEU HBy A 26 GLU H 1.0 3.0 4.5 157 114 A 26 GLU H A 26 GLU HA 1.0 2.5 3.5 158 115 A 26 GLU H A 26 GLU HBx 1.0 2.5 4.0 159 115 A 26 GLU H A 26 GLU HBy 1.0 2.5 4.0 160 116 A 23 ALA HA A 26 GLU H 1.0 3.0 4.0 161 117 A 26 GLU H A 26 GLU HGx 1.0 3.0 4.5 162 117 A 26 GLU H A 26 GLU HGy 1.0 3.0 4.5 163 118 A 26 GLU HA A 27 ARG H 1.0 3.0 4.0 164 119 A 27 ARG H A 26 GLU HBx 1.0 3.0 4.5 165 119 A 26 GLU HBy A 27 ARG H 1.0 3.0 4.5 166 120 A 27 ARG H A 27 ARG HA 1.0 2.5 3.5 167 121 A 27 ARG H A 27 ARG HBx 1.0 2.5 4.0 168 121 A 27 ARG H A 27 ARG HBy 1.0 2.5 4.0 169 122 A 27 ARG H A 27 ARG HGx 1.0 2.5 4.5 170 122 A 27 ARG H A 27 ARG HGy 1.0 2.5 4.5 171 123 A 27 ARG H A 25 LEU HBx 1.0 3.5 5.0 172 123 A 25 LEU HBy A 27 ARG H 1.0 3.5 5.0 173 124 A 27 ARG HA A 28 LEU H 1.0 3.0 4.0 174 125 A 28 LEU H A 27 ARG HBx 1.0 3.0 4.5 175 125 A 27 ARG HBy A 28 LEU H 1.0 3.0 4.5 176 126 A 28 LEU H A 28 LEU HA 1.0 2.5 3.5 177 127 A 28 LEU H A 28 LEU HBx 1.0 2.5 4.0 178 127 A 28 LEU H A 28 LEU HBy 1.0 2.5 4.0 179 128 A 28 LEU H A 28 LEU HG 1.0 2.5 4.5 180 129 A 28 LEU HA A 29 LYS H 1.0 3.0 4.0 181 130 A 29 LYS H A 28 LEU HBx 1.0 3.0 4.5 182 130 A 28 LEU HBy A 29 LYS H 1.0 3.0 4.5 183 131 A 29 LYS H A 29 LYS HA 1.0 2.5 3.5 184 132 A 29 LYS H A 29 LYS HBx 1.0 2.5 4.0 185 132 A 29 LYS H A 29 LYS HBy 1.0 2.5 4.0 186 133 A 27 ARG HA A 29 LYS H 1.0 3.9 4.9 187 134 A 29 LYS H A 29 LYS HGx 1.0 2.5 4.5 188 134 A 29 LYS H A 29 LYS HGy 1.0 2.5 4.5 189 135 A 29 LYS HA A 30 SER H 1.0 3.0 4.0 190 136 A 30 SER H A 29 LYS HBx 1.0 3.0 4.5 191 136 A 29 LYS HBy A 30 SER H 1.0 3.0 4.5 192 137 A 30 SER H A 30 SER HA 1.0 2.5 3.5 193 138 A 30 SER H A 30 SER HBx 1.0 2.5 4.0 194 138 A 30 SER H A 30 SER HBy 1.0 2.5 4.0 195 139 A 28 LEU HA A 30 SER H 1.0 3.9 4.9 196 140 A 30 SER HA A 31 GLU H 1.0 3.0 4.0 197 141 A 31 GLU H A 30 SER HBx 1.0 3.0 4.5 198 141 A 30 SER HBy A 31 GLU H 1.0 3.0 4.5 199 142 A 31 GLU H A 31 GLU HA 1.0 2.5 3.5 200 143 A 31 GLU H A 31 GLU HBx 1.0 2.5 4.0 201 143 A 31 GLU H A 31 GLU HBy 1.0 2.5 4.0 202 144 A 31 GLU H A 31 GLU HGx 1.0 2.5 4.5 203 144 A 31 GLU H A 31 GLU HGy 1.0 2.5 4.5 204 145 A 31 GLU H A 32 ALA H 1.0 2.3 3.3 205 146 A 31 GLU HA A 32 ALA H 1.0 3.0 4.0 206 147 A 32 ALA H A 31 GLU HBx 1.0 3.0 4.5 207 147 A 31 GLU HBy A 32 ALA H 1.0 3.0 4.5 208 148 A 32 ALA H A 32 ALA HA 1.0 2.5 3.5 209 149 A 32 ALA H A 32 ALA HB% 1.0 2.5 4.0 210 150 A 29 LYS HA A 32 ALA H 1.0 3.0 4.0 211 151 A 32 ALA H A 31 GLU HGx 1.0 2.5 4.0 212 151 A 31 GLU HGy A 32 ALA H 1.0 2.5 4.0 213 152 A 32 ALA HA A 33 ALA H 1.0 3.0 4.0 214 153 A 32 ALA HB% A 33 ALA H 1.0 3.0 4.5 215 154 A 33 ALA H A 33 ALA HA 1.0 2.5 3.5 216 155 A 33 ALA H A 33 ALA HB% 1.0 2.5 4.0 217 156 A 30 SER HA A 33 ALA H 1.0 3.0 4.0 218 157 A 33 ALA HA A 34 ASP H 1.0 3.0 4.0 219 158 A 33 ALA HB% A 34 ASP H 1.0 3.0 4.5 220 159 A 34 ASP H A 34 ASP HA 1.0 2.5 3.5 221 160 A 34 ASP H A 34 ASP HBx 1.0 2.5 4.0 222 160 A 34 ASP H A 34 ASP HBy 1.0 2.5 4.0 223 161 A 32 ALA HA A 34 ASP H 1.0 3.9 4.9 224 162 A 31 GLU HA A 34 ASP H 1.0 3.9 4.9 225 163 A 34 ASP H A 31 GLU HBx 1.0 3.5 5.0 226 163 A 31 GLU HBy A 34 ASP H 1.0 3.5 5.0 227 164 A 34 ASP H A 31 GLU HGx 1.0 3.5 5.0 228 164 A 31 GLU HGy A 34 ASP H 1.0 3.5 5.0 229 165 A 35 HIS H A 34 ASP HBx 1.0 3.0 4.5 230 165 A 34 ASP HBy A 35 HIS H 1.0 3.0 4.5 231 166 A 35 HIS H A 35 HIS HA 1.0 2.5 3.5 232 167 A 35 HIS H A 35 HIS HBx 1.0 2.5 4.0 233 167 A 35 HIS H A 35 HIS HBy 1.0 2.5 4.0 234 168 A 35 HIS HA A 36 ASP H 1.0 3.0 4.0 235 169 A 36 ASP H A 35 HIS HBx 1.0 3.0 4.5 236 169 A 35 HIS HBy A 36 ASP H 1.0 3.0 4.5 237 170 A 36 ASP H A 36 ASP HA 1.0 2.5 3.5 238 171 A 36 ASP H A 36 ASP HBx 1.0 2.5 4.0 239 171 A 36 ASP H A 36 ASP HBy 1.0 2.5 4.0 240 172 A 33 ALA HA A 36 ASP H 1.0 2.0 4.5 241 173 A 36 ASP HA A 37 LYS H 1.0 3.0 4.0 242 174 A 37 LYS H A 36 ASP HBx 1.0 3.0 4.5 243 174 A 36 ASP HBy A 37 LYS H 1.0 3.0 4.5 244 175 A 37 LYS H A 37 LYS HA 1.0 2.5 3.5 245 176 A 37 LYS H A 37 LYS HBx 1.0 2.5 4.0 246 176 A 37 LYS H A 37 LYS HBy 1.0 2.5 4.0 247 177 A 34 ASP HA A 37 LYS H 1.0 2.0 4.5 248 178 A 38 LYS H A 38 LYS HA 1.0 2.5 3.5 249 179 A 38 LYS H A 38 LYS HBx 1.0 2.5 4.0 250 179 A 38 LYS H A 38 LYS HBy 1.0 2.5 4.0 251 180 A 37 LYS HA A 38 LYS H 1.0 3.0 4.0 252 181 A 38 LYS H A 37 LYS HBx 1.0 3.0 4.5 253 181 A 37 LYS HBy A 38 LYS H 1.0 3.0 4.5 254 182 A 36 ASP HA A 38 LYS H 1.0 3.7 4.7 255 183 A 38 LYS HA A 39 GLU H 1.0 3.0 4.0 256 184 A 39 GLU H A 38 LYS HBx 1.0 3.0 4.5 257 184 A 38 LYS HBy A 39 GLU H 1.0 3.0 4.5 258 185 A 39 GLU H A 39 GLU HA 1.0 2.5 3.5 259 186 A 39 GLU H A 39 GLU HBx 1.0 2.5 4.0 260 186 A 39 GLU H A 39 GLU HBy 1.0 2.5 4.0 261 187 A 36 ASP HA A 39 GLU H 1.0 3.0 4.0 262 188 A 39 GLU HA A 40 ALA H 1.0 3.0 4.0 263 189 A 40 ALA H A 39 GLU HBx 1.0 3.0 4.5 264 189 A 39 GLU HBy A 40 ALA H 1.0 3.0 4.5 265 190 A 40 ALA H A 40 ALA HA 1.0 2.5 3.5 266 191 A 40 ALA H A 40 ALA HB% 1.0 2.5 4.0 267 192 A 40 ALA HA A 41 GLU H 1.0 3.0 4.0 268 193 A 40 ALA HB% A 41 GLU H 1.0 3.0 4.5 269 194 A 41 GLU H A 41 GLU HA 1.0 2.5 3.5 270 195 A 41 GLU H A 41 GLU HBx 1.0 2.5 4.0 271 195 A 41 GLU H A 41 GLU HBy 1.0 2.5 4.0 272 196 A 41 GLU H A 41 GLU HGx 1.0 2.0 4.0 273 196 A 41 GLU H A 41 GLU HGy 1.0 2.0 4.0 274 197 A 41 GLU HA A 42 ARG H 1.0 3.0 4.0 275 198 A 42 ARG H A 41 GLU HBx 1.0 3.0 4.5 276 198 A 41 GLU HBy A 42 ARG H 1.0 3.0 4.5 277 199 A 42 ARG H A 42 ARG HA 1.0 2.5 3.5 278 200 A 42 ARG H A 42 ARG HBx 1.0 2.5 4.0 279 200 A 42 ARG H A 42 ARG HBy 1.0 2.5 4.0 280 201 A 42 ARG HA A 43 LYS H 1.0 3.0 4.0 281 202 A 43 LYS H A 42 ARG HBx 1.0 3.0 4.5 282 202 A 42 ARG HBy A 43 LYS H 1.0 3.0 4.5 283 203 A 43 LYS H A 43 LYS HA 1.0 2.5 3.5 284 204 A 43 LYS H A 43 LYS HBx 1.0 2.5 4.0 285 204 A 43 LYS H A 43 LYS HBy 1.0 2.5 4.0 286 205 A 40 ALA HA A 43 LYS H 1.0 3.0 4.0 287 206 A 43 LYS HA A 44 ALA H 1.0 3.0 4.0 288 207 A 44 ALA H A 43 LYS HBx 1.0 3.0 4.5 289 207 A 43 LYS HBy A 44 ALA H 1.0 3.0 4.5 290 208 A 44 ALA H A 44 ALA HA 1.0 2.5 3.5 291 209 A 44 ALA H A 44 ALA HB% 1.0 2.5 4.0 292 210 A 44 ALA HA A 45 LEU H 1.0 3.0 4.0 293 211 A 44 ALA HB% A 45 LEU H 1.0 3.0 4.5 294 212 A 45 LEU H A 45 LEU HA 1.0 2.5 3.5 295 213 A 45 LEU H A 45 LEU HBx 1.0 2.5 4.0 296 213 A 45 LEU H A 45 LEU HBy 1.0 2.5 4.0 297 214 A 42 ARG HA A 45 LEU H 1.0 3.9 4.9 298 215 A 45 LEU H A 46 GLU H 1.0 2.3 3.3 299 216 A 45 LEU HA A 46 GLU H 1.0 3.0 4.0 300 217 A 46 GLU H A 45 LEU HBx 1.0 3.0 4.5 301 217 A 45 LEU HBy A 46 GLU H 1.0 3.0 4.5 302 218 A 46 GLU H A 46 GLU HA 1.0 2.5 3.5 303 219 A 46 GLU H A 46 GLU HBx 1.0 2.5 4.0 304 219 A 46 GLU H A 46 GLU HBy 1.0 2.5 4.0 305 220 A 46 GLU H A 46 GLU HGx 1.0 2.0 4.0 306 220 A 46 GLU H A 46 GLU HGy 1.0 2.0 4.0 307 221 A 46 GLU HA A 47 ASP H 1.0 3.0 4.0 308 222 A 47 ASP H A 46 GLU HBx 1.0 3.0 4.5 309 222 A 46 GLU HBy A 47 ASP H 1.0 3.0 4.5 310 223 A 47 ASP H A 47 ASP HA 1.0 2.5 3.5 311 224 A 47 ASP H A 47 ASP HBx 1.0 2.5 4.0 312 224 A 47 ASP H A 47 ASP HBy 1.0 2.5 4.0 313 225 A 44 ALA HA A 47 ASP H 1.0 3.0 4.0 314 226 A 47 ASP HA A 48 LYS H 1.0 3.0 4.0 315 227 A 48 LYS H A 47 ASP HBx 1.0 3.0 4.5 316 227 A 47 ASP HBy A 48 LYS H 1.0 3.0 4.5 317 228 A 48 LYS H A 48 LYS HA 1.0 2.5 3.5 318 229 A 48 LYS H A 48 LYS HBx 1.0 2.5 4.0 319 229 A 48 LYS H A 48 LYS HBy 1.0 2.5 4.0 320 230 A 45 LEU HA A 48 LYS H 1.0 3.0 4.0 321 231 A 48 LYS HA A 49 LEU H 1.0 3.0 4.0 322 232 A 49 LEU H A 48 LYS HBx 1.0 3.0 4.5 323 232 A 48 LYS HBy A 49 LEU H 1.0 3.0 4.5 324 233 A 49 LEU H A 49 LEU HA 1.0 2.5 3.5 325 234 A 49 LEU H A 49 LEU HBx 1.0 2.5 4.0 326 234 A 49 LEU H A 49 LEU HBy 1.0 2.5 4.0 327 235 A 49 LEU HA A 50 ALA H 1.0 3.0 4.0 328 236 A 50 ALA H A 49 LEU HBx 1.0 3.0 4.5 329 236 A 49 LEU HBy A 50 ALA H 1.0 3.0 4.5 330 237 A 50 ALA H A 50 ALA HA 1.0 2.5 3.5 331 238 A 50 ALA H A 50 ALA HB% 1.0 2.5 4.0 332 239 A 50 ALA HA A 51 ASP H 1.0 3.0 4.0 333 240 A 50 ALA HB% A 51 ASP H 1.0 3.0 4.5 334 241 A 51 ASP H A 51 ASP HA 1.0 2.5 3.5 335 242 A 51 ASP H A 51 ASP HBx 1.0 2.5 4.0 336 242 A 51 ASP H A 51 ASP HBy 1.0 2.5 4.0 337 243 A 51 ASP HA A 52 TYR H 1.0 3.0 4.0 338 244 A 52 TYR H A 51 ASP HBx 1.0 3.0 4.5 339 244 A 51 ASP HBy A 52 TYR H 1.0 3.0 4.5 340 245 A 52 TYR H A 52 TYR HA 1.0 2.5 3.5 341 246 A 52 TYR H A 52 TYR HBx 1.0 2.5 4.0 342 246 A 52 TYR H A 52 TYR HBy 1.0 2.5 4.0 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 ASP C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -88.2 -48.2 PHI 2 2 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -56.5 -16.5 PSI 3 3 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -87.2 -47.2 PHI 4 4 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LEU N 1.0 -59.3 -19.3 PSI 5 5 A 11 GLU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -85.4 -45.4 PHI 6 6 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLN N 1.0 -59.8 -19.8 PSI 7 7 A 12 LEU C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -86.9 -46.9 PHI 8 8 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 ARG N 1.0 -56.8 -16.8 PSI 9 9 A 13 GLN C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -87.8 -47.8 PHI 10 10 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -59.4 -19.4 PSI 11 11 A 14 ARG C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -88.5 -48.5 PHI 12 12 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -56.7 -16.7 PSI 13 13 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -87.7 -47.7 PHI 14 14 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASN N 1.0 -55.1 -15.1 PSI 15 15 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -85.1 -45.1 PHI 16 16 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ALA N 1.0 -60.2 -20.2 PSI 17 17 A 22 GLU C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -86.8 -46.8 PHI 18 18 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLU N 1.0 -58.0 -18.0 PSI 19 19 A 23 ALA C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -86.4 -46.4 PHI 20 20 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LEU N 1.0 -60.7 -20.7 PSI 21 21 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -87.1 -47.1 PHI 22 22 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -57.3 -17.3 PSI 23 23 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -86.0 -46.0 PHI 24 24 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -58.1 -18.1 PSI 25 25 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -85.3 -45.3 PHI 26 26 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -58.7 -18.7 PSI 27 27 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -87.5 -47.5 PHI 28 28 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -55.9 -15.9 PSI 29 29 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -86.6 -46.6 PHI 30 30 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 SER N 1.0 -56.1 -16.1 PSI 31 31 A 29 LYS C A 30 SER N A 30 SER CA A 30 SER C 1.0 -88.5 -48.5 PHI 32 32 A 30 SER N A 30 SER CA A 30 SER C A 31 GLU N 1.0 -58.4 -18.4 PSI 33 33 A 30 SER C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -86.7 -46.7 PHI 34 34 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 ALA N 1.0 -58.7 -18.7 PSI 35 35 A 31 GLU C A 32 ALA N A 32 ALA CA A 32 ALA C 1.0 -88.3 -48.3 PHI 36 36 A 32 ALA N A 32 ALA CA A 32 ALA C A 33 ALA N 1.0 -54.5 -14.5 PSI 37 37 A 36 ASP C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -87.8 -47.8 PHI 38 38 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LYS N 1.0 -58.3 -18.3 PSI 39 39 A 37 LYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -88.0 -48.0 PHI 40 40 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 GLU N 1.0 -57.6 -17.6 PSI 41 41 A 38 LYS C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -86.3 -46.3 PHI 42 42 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ALA N 1.0 -61.6 -21.6 PSI 43 43 A 39 GLU C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -84.9 -44.9 PHI 44 44 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLU N 1.0 -58.3 -18.3 PSI 45 45 A 40 ALA C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -87.0 -47.0 PHI 46 46 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 -57.7 -17.7 PSI 47 47 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -88.0 -48.0 PHI 48 48 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LYS N 1.0 -58.1 -18.1 PSI 49 49 A 42 ARG C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -85.7 -45.7 PHI 50 50 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ALA N 1.0 -60.1 -20.1 PSI 51 51 A 43 LYS C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -87.0 -47.0 PHI 52 52 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 LEU N 1.0 -56.0 -16.0 PSI 53 53 A 44 ALA C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -89.3 -49.3 PHI 54 54 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLU N 1.0 -57.7 -17.7 PSI 55 55 A 45 LEU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -88.7 -48.7 PHI 56 56 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASP N 1.0 -54.3 -14.3 PSI 57 57 A 46 GLU C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -89.2 -49.2 PHI 58 58 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 LYS N 1.0 -54.6 -14.6 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 . . 30 . . . . stop_ save_