data_nef_c30391_6bzl 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 6BZL 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 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 LYS middle . . 53 A 53 GLN middle . . 54 A 54 GLU middle . . 55 A 55 HIS middle . . 56 A 56 LEU middle . . 57 A 57 ASN middle . . 58 A 58 GLY middle . false 59 A 59 ALA middle . . 60 A 60 LEU middle . . 61 A 61 ARG middle . . 62 A 62 TYR middle . . 63 A 63 ILE middle . . 64 A 64 ASN middle . . 65 A 65 GLU middle . . 66 A 66 LYS middle . . 67 A 67 GLU middle . . 68 A 68 ALA middle . . 69 A 69 GLU middle . . 70 A 70 ARG middle . . 71 A 71 LYS middle . . 72 A 72 GLU middle . . 73 A 73 LYS middle . . 74 A 74 GLU middle . . 75 A 75 ALA middle . . 76 A 76 GLU middle . . 77 A 77 GLN 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 4.422 0.02 A 1 GLY HAy H 1 4.422 0.02 A 2 SER H H 1 8.432 0.02 A 2 SER HA H 1 4.470 0.02 A 2 SER HBx H 1 3.796 0.02 A 2 SER HBy H 1 3.796 0.02 A 2 SER C C 13 174.741 0.20 A 2 SER CA C 13 58.377 0.20 A 2 SER CB C 13 63.888 0.20 A 2 SER N N 15 114.551 0.20 A 3 VAL H H 1 8.340 0.02 A 3 VAL HA H 1 4.058 0.02 A 3 VAL HB H 1 2.023 0.02 A 3 VAL HGx% H 1 0.864 0.02 A 3 VAL HGy% H 1 0.864 0.02 A 3 VAL C C 13 176.367 0.20 A 3 VAL CA C 13 62.500 0.20 A 3 VAL CB C 13 32.639 0.20 A 3 VAL CGx C 13 21.400 0.20 A 3 VAL CGy C 13 21.400 0.20 A 3 VAL N N 15 121.814 0.20 A 4 GLU H H 1 8.522 0.02 A 4 GLU HA H 1 4.190 0.02 A 4 GLU HBy H 1 1.895 0.02 A 4 GLU HBx H 1 1.752 0.02 A 4 GLU HGx H 1 2.184 0.02 A 4 GLU HGy H 1 2.184 0.02 A 4 GLU C C 13 176.501 0.20 A 4 GLU CA C 13 57.036 0.20 A 4 GLU CB C 13 30.402 0.20 A 4 GLU CG C 13 36.331 0.20 A 4 GLU N N 15 124.733 0.20 A 5 LYS H H 1 8.316 0.02 A 5 LYS HA H 1 4.208 0.02 A 5 LYS HBx H 1 1.732 0.02 A 5 LYS HBy H 1 1.732 0.02 A 5 LYS HGx H 1 1.350 0.02 A 5 LYS HGy H 1 1.350 0.02 A 5 LYS C C 13 176.505 0.20 A 5 LYS CA C 13 56.400 0.20 A 5 LYS CB C 13 32.939 0.20 A 5 LYS CD C 13 28.967 0.20 A 5 LYS CG C 13 24.695 0.20 A 5 LYS N N 15 122.736 0.20 A 6 LEU H H 1 8.344 0.02 A 6 LEU HA H 1 4.332 0.02 A 6 LEU HBy H 1 1.622 0.02 A 6 LEU HBx H 1 1.546 0.02 A 6 LEU HDx% H 1 0.817 0.02 A 6 LEU HDy% H 1 0.817 0.02 A 6 LEU HG H 1 1.540 0.02 A 6 LEU C C 13 178.061 0.20 A 6 LEU CA C 13 55.200 0.20 A 6 LEU CB C 13 42.353 0.20 A 6 LEU CDy C 13 24.880 0.20 A 6 LEU CDx C 13 23.397 0.20 A 6 LEU CG C 13 27.087 0.20 A 6 LEU N N 15 123.480 0.20 A 7 THR H H 1 8.055 0.02 A 7 THR HA H 1 4.236 0.02 A 7 THR HB H 1 4.236 0.02 A 7 THR HG2% H 1 1.175 0.02 A 7 THR C C 13 174.781 0.20 A 7 THR CA C 13 62.151 0.20 A 7 THR CB C 13 69.999 0.20 A 7 THR CG2 C 13 21.771 0.20 A 7 THR N N 15 114.601 0.20 A 8 ALA H H 1 8.418 0.02 A 8 ALA HA H 1 4.188 0.02 A 8 ALA HB% H 1 1.369 0.02 A 8 ALA C C 13 178.726 0.20 A 8 ALA CA C 13 53.659 0.20 A 8 ALA CB C 13 18.801 0.20 A 8 ALA N N 15 125.794 0.20 A 9 ASP H H 1 8.377 0.02 A 9 ASP HA H 1 4.406 0.02 A 9 ASP HBx H 1 2.592 0.02 A 9 ASP HBy H 1 2.592 0.02 A 9 ASP C C 13 177.455 0.20 A 9 ASP CA C 13 55.228 0.20 A 9 ASP CB C 13 40.890 0.20 A 9 ASP N N 15 119.127 0.20 A 10 ALA H H 1 8.149 0.02 A 10 ALA HA H 1 4.103 0.02 A 10 ALA HB% H 1 1.395 0.02 A 10 ALA C C 13 179.782 0.20 A 10 ALA CA C 13 54.207 0.20 A 10 ALA CB C 13 18.733 0.20 A 10 ALA N N 15 123.795 0.20 A 11 GLU H H 1 8.211 0.02 A 11 GLU HA H 1 4.147 0.02 A 11 GLU HBx H 1 1.991 0.02 A 11 GLU HBy H 1 1.991 0.02 A 11 GLU HGx H 1 2.210 0.02 A 11 GLU HGy H 1 2.210 0.02 A 11 GLU C C 13 177.952 0.20 A 11 GLU CA C 13 58.195 0.20 A 11 GLU CB C 13 29.524 0.20 A 11 GLU CG C 13 36.016 0.20 A 11 GLU N N 15 119.479 0.20 A 12 LEU H H 1 7.929 0.02 A 12 LEU HA H 1 4.097 0.02 A 12 LEU HBy H 1 1.710 0.02 A 12 LEU HBx H 1 1.568 0.02 A 12 LEU HDx% H 1 0.852 0.02 A 12 LEU HDy% H 1 0.852 0.02 A 12 LEU HG H 1 1.568 0.02 A 12 LEU C C 13 179.111 0.20 A 12 LEU CA C 13 57.170 0.20 A 12 LEU CB C 13 41.774 0.20 A 12 LEU CDy C 13 26.964 0.20 A 12 LEU CDx C 13 24.808 0.20 A 12 LEU CG C 13 27.100 0.20 A 12 LEU N N 15 120.651 0.20 A 13 GLN H H 1 8.047 0.02 A 13 GLN HA H 1 4.008 0.02 A 13 GLN HBx H 1 2.016 0.02 A 13 GLN HBy H 1 2.016 0.02 A 13 GLN HGx H 1 2.337 0.02 A 13 GLN HGy H 1 2.337 0.02 A 13 GLN C C 13 177.286 0.20 A 13 GLN CA C 13 57.570 0.20 A 13 GLN CB C 13 28.518 0.20 A 13 GLN CG C 13 33.753 0.20 A 13 GLN N N 15 118.460 0.20 A 14 ARG H H 1 7.950 0.02 A 14 ARG HA H 1 4.091 0.02 A 14 ARG HBx H 1 1.830 0.02 A 14 ARG HBy H 1 1.830 0.02 A 14 ARG HGx H 1 1.500 0.02 A 14 ARG HGy H 1 1.500 0.02 A 14 ARG C C 13 177.831 0.20 A 14 ARG CA C 13 58.253 0.20 A 14 ARG CB C 13 30.310 0.20 A 14 ARG CD C 13 43.359 0.20 A 14 ARG CG C 13 27.290 0.20 A 14 ARG N N 15 120.567 0.20 A 15 LEU H H 1 8.043 0.02 A 15 LEU HA H 1 4.208 0.02 A 15 LEU HBx H 1 1.689 0.02 A 15 LEU HBy H 1 1.689 0.02 A 15 LEU HDx% H 1 0.814 0.02 A 15 LEU HDy% H 1 0.814 0.02 A 15 LEU HG H 1 1.510 0.02 A 15 LEU C C 13 178.580 0.20 A 15 LEU CA C 13 56.712 0.20 A 15 LEU CB C 13 42.183 0.20 A 15 LEU CDy C 13 24.959 0.20 A 15 LEU CDx C 13 23.424 0.20 A 15 LEU CG C 13 27.340 0.20 A 15 LEU N N 15 120.555 0.20 A 16 LYS H H 1 8.034 0.02 A 16 LYS HA H 1 4.074 0.02 A 16 LYS HBx H 1 1.778 0.02 A 16 LYS HBy H 1 1.778 0.02 A 16 LYS HGx H 1 1.352 0.02 A 16 LYS HGy H 1 1.352 0.02 A 16 LYS C C 13 177.555 0.20 A 16 LYS CA C 13 57.942 0.20 A 16 LYS CB C 13 32.723 0.20 A 16 LYS CD C 13 29.322 0.20 A 16 LYS CG C 13 24.993 0.20 A 16 LYS N N 15 120.119 0.20 A 17 ASN H H 1 8.243 0.02 A 17 ASN HA H 1 4.575 0.02 A 17 ASN HBx H 1 2.791 0.02 A 17 ASN HBy H 1 2.791 0.02 A 17 ASN CA C 13 53.909 0.20 A 17 ASN CB C 13 38.701 0.20 A 17 ASN N N 15 118.737 0.20 A 18 GLU H H 1 8.296 0.02 A 18 GLU HA H 1 4.144 0.02 A 18 GLU HBx H 1 1.972 0.02 A 18 GLU HBy H 1 1.972 0.02 A 18 GLU HGy H 1 2.292 0.02 A 18 GLU HGx H 1 2.160 0.02 A 18 GLU C C 13 177.041 0.20 A 18 GLU CA C 13 57.707 0.20 A 18 GLU CB C 13 30.121 0.20 A 18 GLU CG C 13 36.434 0.20 A 18 GLU N N 15 121.111 0.20 A 19 ARG H H 1 8.221 0.02 A 19 ARG HA H 1 4.220 0.02 A 19 ARG HBx H 1 1.780 0.02 A 19 ARG HBy H 1 1.780 0.02 A 19 ARG HDx H 1 3.120 0.02 A 19 ARG HDy H 1 3.120 0.02 A 19 ARG HGx H 1 1.340 0.02 A 19 ARG HGy H 1 1.340 0.02 A 19 ARG C C 13 176.928 0.20 A 19 ARG CA C 13 56.790 0.20 A 19 ARG CB C 13 29.942 0.20 A 19 ARG CG C 13 27.252 0.20 A 19 ARG N N 15 120.496 0.20 A 20 HIS H H 1 8.359 0.02 A 20 HIS HA H 1 4.516 0.02 A 20 HIS HBx H 1 3.142 0.02 A 20 HIS HBy H 1 3.142 0.02 A 20 HIS C C 13 175.818 0.20 A 20 HIS CA C 13 57.107 0.20 A 20 HIS CB C 13 29.839 0.20 A 20 HIS N N 15 120.703 0.20 A 21 GLU H H 1 8.579 0.02 A 21 GLU HA H 1 4.107 0.02 A 21 GLU HBx H 1 1.966 0.02 A 21 GLU HBy H 1 1.966 0.02 A 21 GLU HGx H 1 2.220 0.02 A 21 GLU HGy H 1 2.220 0.02 A 21 GLU C C 13 177.665 0.20 A 21 GLU CA C 13 57.927 0.20 A 21 GLU CB C 13 29.925 0.20 A 21 GLU CG C 13 36.390 0.20 A 21 GLU N N 15 121.487 0.20 A 22 GLU H H 1 8.509 0.02 A 22 GLU HA H 1 4.061 0.02 A 22 GLU HBx H 1 1.999 0.02 A 22 GLU HBy H 1 1.999 0.02 A 22 GLU HGx H 1 2.240 0.02 A 22 GLU HGy H 1 2.240 0.02 A 22 GLU C C 13 177.702 0.20 A 22 GLU CA C 13 58.376 0.20 A 22 GLU CB C 13 29.829 0.20 A 22 GLU CG C 13 36.393 0.20 A 22 GLU N N 15 121.273 0.20 A 23 ALA H H 1 8.241 0.02 A 23 ALA HA H 1 4.144 0.02 A 23 ALA HB% H 1 1.390 0.02 A 23 ALA C C 13 179.700 0.20 A 23 ALA CA C 13 54.012 0.20 A 23 ALA CB C 13 18.778 0.20 A 23 ALA N N 15 123.309 0.20 A 24 GLU H H 1 8.189 0.02 A 24 GLU HA H 1 4.130 0.02 A 24 GLU HBx H 1 1.974 0.02 A 24 GLU HBy H 1 1.974 0.02 A 24 GLU HGx H 1 2.145 0.02 A 24 GLU HGy H 1 2.145 0.02 A 24 GLU C C 13 177.897 0.20 A 24 GLU CA C 13 58.095 0.20 A 24 GLU CB C 13 29.761 0.20 A 24 GLU CG C 13 36.110 0.20 A 24 GLU N N 15 119.792 0.20 A 25 LEU H H 1 7.992 0.02 A 25 LEU HA H 1 4.056 0.02 A 25 LEU HBx H 1 1.726 0.02 A 25 LEU HBy H 1 1.726 0.02 A 25 LEU HDx% H 1 0.834 0.02 A 25 LEU HDy% H 1 0.834 0.02 A 25 LEU HG H 1 1.530 0.02 A 25 LEU C C 13 179.346 0.20 A 25 LEU CA C 13 57.348 0.20 A 25 LEU CB C 13 41.747 0.20 A 25 LEU CDy C 13 24.866 0.20 A 25 LEU CDx C 13 23.530 0.20 A 25 LEU CG C 13 27.040 0.20 A 25 LEU N N 15 120.663 0.20 A 26 GLU H H 1 8.086 0.02 A 26 GLU HA H 1 4.012 0.02 A 26 GLU HBx H 1 2.006 0.02 A 26 GLU HBy H 1 2.006 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 13 178.417 0.20 A 26 GLU CA C 13 58.462 0.20 A 26 GLU CB C 13 29.512 0.20 A 26 GLU CG C 13 36.125 0.20 A 26 GLU N N 15 119.410 0.20 A 27 ARG H H 1 8.020 0.02 A 27 ARG HA H 1 4.078 0.02 A 27 ARG HBx H 1 1.840 0.02 A 27 ARG HBy H 1 1.840 0.02 A 27 ARG HGx H 1 1.547 0.02 A 27 ARG HGy H 1 1.547 0.02 A 27 ARG C C 13 178.173 0.20 A 27 ARG CA C 13 58.456 0.20 A 27 ARG CB C 13 30.179 0.20 A 27 ARG CD C 13 43.266 0.20 A 27 ARG CG C 13 27.314 0.20 A 27 ARG N N 15 121.156 0.20 A 28 LEU H H 1 8.085 0.02 A 28 LEU HA H 1 4.077 0.02 A 28 LEU HBx H 1 1.708 0.02 A 28 LEU HBy H 1 1.708 0.02 A 28 LEU HDx% H 1 0.807 0.02 A 28 LEU HDy% H 1 0.807 0.02 A 28 LEU HG H 1 1.502 0.02 A 28 LEU C C 13 178.922 0.20 A 28 LEU CA C 13 56.700 0.20 A 28 LEU CB C 13 41.998 0.20 A 28 LEU CDx C 13 23.414 0.20 A 28 LEU CDy C 13 25.100 0.20 A 28 LEU CG C 13 26.929 0.20 A 28 LEU N N 15 120.296 0.20 A 29 LYS H H 1 7.990 0.02 A 29 LYS HA H 1 4.057 0.02 A 29 LYS HBx H 1 1.812 0.02 A 29 LYS HBy H 1 1.812 0.02 A 29 LYS HDx H 1 1.477 0.02 A 29 LYS HDy H 1 1.477 0.02 A 29 LYS HGx H 1 1.325 0.02 A 29 LYS HGy H 1 1.325 0.02 A 29 LYS C C 13 178.005 0.20 A 29 LYS CA C 13 58.358 0.20 A 29 LYS CB C 13 32.651 0.20 A 29 LYS CD C 13 29.507 0.20 A 29 LYS CG C 13 25.072 0.20 A 29 LYS N N 15 120.049 0.20 A 30 SER H H 1 8.076 0.02 A 30 SER HA H 1 4.282 0.02 A 30 SER HBx H 1 3.890 0.02 A 30 SER HBy H 1 3.890 0.02 A 30 SER C C 13 175.435 0.20 A 30 SER CA C 13 59.810 0.20 A 30 SER CB C 13 63.500 0.20 A 30 SER N N 15 115.505 0.20 A 31 GLU H H 1 8.230 0.02 A 31 GLU HA H 1 4.162 0.02 A 31 GLU HBx H 1 1.930 0.02 A 31 GLU HBy H 1 1.930 0.02 A 31 GLU HGx H 1 2.211 0.02 A 31 GLU HGy H 1 2.211 0.02 A 31 GLU C C 13 176.700 0.20 A 31 GLU CA C 13 56.942 0.20 A 31 GLU CB C 13 30.085 0.20 A 31 GLU CG C 13 36.235 0.20 A 31 GLU N N 15 122.296 0.20 A 32 ARG H H 1 8.267 0.02 A 32 ARG HA H 1 4.140 0.02 A 32 ARG HBy H 1 2.098 0.02 A 32 ARG HBx H 1 1.830 0.02 A 32 ARG HGx H 1 1.836 0.02 A 32 ARG HGy H 1 1.836 0.02 A 32 ARG C C 13 176.150 0.20 A 32 ARG CA C 13 56.807 0.20 A 32 ARG CB C 13 30.454 0.20 A 32 ARG N N 15 121.508 0.20 A 33 HIS H H 1 8.436 0.02 A 33 HIS HA H 1 4.613 0.02 A 33 HIS HBx H 1 3.116 0.02 A 33 HIS HBy H 1 3.116 0.02 A 33 HIS C C 13 174.621 0.20 A 33 HIS CA C 13 55.300 0.20 A 33 HIS CB C 13 29.922 0.20 A 33 HIS N N 15 119.738 0.20 A 34 ASP H H 1 8.272 0.02 A 34 ASP HA H 1 4.160 0.02 A 34 ASP HBx H 1 2.594 0.02 A 34 ASP HBy H 1 2.594 0.02 A 34 ASP C C 13 176.966 0.20 A 34 ASP CA C 13 56.900 0.20 A 34 ASP CB C 13 40.793 0.20 A 34 ASP N N 15 123.747 0.20 A 35 HIS H H 1 8.320 0.02 A 35 HIS HA H 1 4.365 0.02 A 35 HIS HBx H 1 3.156 0.02 A 35 HIS HBy H 1 3.156 0.02 A 35 HIS C C 13 176.135 0.20 A 35 HIS CA C 13 57.992 0.20 A 35 HIS CB C 13 29.996 0.20 A 35 HIS N N 15 119.484 0.20 A 36 ASP H H 1 8.427 0.02 A 36 ASP HA H 1 4.399 0.02 A 36 ASP HBx H 1 2.639 0.02 A 36 ASP HBy H 1 2.639 0.02 A 36 ASP C C 13 177.633 0.20 A 36 ASP CA C 13 55.722 0.20 A 36 ASP CB C 13 40.549 0.20 A 36 ASP N N 15 120.634 0.20 A 37 LYS H H 1 8.193 0.02 A 37 LYS HA H 1 4.098 0.02 A 37 LYS HBx H 1 1.740 0.02 A 37 LYS HBy H 1 1.740 0.02 A 37 LYS HGx H 1 1.397 0.02 A 37 LYS HGy H 1 1.397 0.02 A 37 LYS C C 13 177.831 0.20 A 37 LYS CA C 13 58.092 0.20 A 37 LYS CB C 13 32.617 0.20 A 37 LYS CD C 13 29.524 0.20 A 37 LYS CE C 13 41.076 0.20 A 37 LYS CG C 13 24.880 0.20 A 37 LYS N N 15 122.340 0.20 A 38 LYS H H 1 8.169 0.02 A 38 LYS HA H 1 4.167 0.02 A 38 LYS HBx H 1 1.750 0.02 A 38 LYS HBy H 1 1.750 0.02 A 38 LYS HDx H 1 1.781 0.02 A 38 LYS HDy H 1 1.781 0.02 A 38 LYS HEx H 1 2.791 0.02 A 38 LYS HEy H 1 2.791 0.02 A 38 LYS HGx H 1 1.360 0.02 A 38 LYS HGy H 1 1.360 0.02 A 38 LYS C C 13 178.603 0.20 A 38 LYS CA C 13 57.975 0.20 A 38 LYS CB C 13 32.800 0.20 A 38 LYS CE C 13 41.250 0.20 A 38 LYS CG C 13 25.103 0.20 A 38 LYS N N 15 120.826 0.20 A 39 GLU H H 1 8.295 0.02 A 39 GLU HA H 1 4.106 0.02 A 39 GLU HBx H 1 1.924 0.02 A 39 GLU HBy H 1 1.924 0.02 A 39 GLU HGx H 1 2.137 0.02 A 39 GLU HGy H 1 2.137 0.02 A 39 GLU C C 13 177.728 0.20 A 39 GLU CA C 13 58.376 0.20 A 39 GLU CB C 13 30.100 0.20 A 39 GLU CG C 13 36.420 0.20 A 39 GLU N N 15 121.043 0.20 A 40 ALA H H 1 8.135 0.02 A 40 ALA HA H 1 4.123 0.02 A 40 ALA HB% H 1 1.350 0.02 A 40 ALA C C 13 179.895 0.20 A 40 ALA CA C 13 52.800 0.20 A 40 ALA CB C 13 18.387 0.20 A 40 ALA N N 15 123.012 0.20 A 41 GLU H H 1 8.161 0.02 A 41 GLU HA H 1 4.163 0.02 A 41 GLU HBx H 1 1.924 0.02 A 41 GLU HBy H 1 1.924 0.02 A 41 GLU HGx H 1 2.210 0.02 A 41 GLU HGy H 1 2.210 0.02 A 41 GLU C C 13 177.728 0.20 A 41 GLU CA C 13 58.300 0.20 A 41 GLU CB C 13 30.200 0.20 A 41 GLU CG C 13 36.340 0.20 A 41 GLU N N 15 119.424 0.20 A 42 ARG H H 1 8.135 0.02 A 42 ARG HA H 1 4.100 0.02 A 42 ARG HBx H 1 1.771 0.02 A 42 ARG HBy H 1 1.771 0.02 A 42 ARG HGx H 1 1.344 0.02 A 42 ARG HGy H 1 1.344 0.02 A 42 ARG C C 13 177.830 0.20 A 42 ARG CA C 13 58.300 0.20 A 42 ARG CB C 13 32.700 0.20 A 42 ARG CD C 13 41.190 0.20 A 42 ARG CG C 13 25.030 0.20 A 42 ARG N N 15 123.012 0.20 A 43 LYS H H 1 8.233 0.02 A 43 LYS HA H 1 4.044 0.02 A 43 LYS HBx H 1 1.776 0.02 A 43 LYS HBy H 1 1.776 0.02 A 43 LYS HGx H 1 1.390 0.02 A 43 LYS HGy H 1 1.390 0.02 A 43 LYS C C 13 177.439 0.20 A 43 LYS CA C 13 57.900 0.20 A 43 LYS CB C 13 32.800 0.20 A 43 LYS CD C 13 28.995 0.20 A 43 LYS CG C 13 25.240 0.20 A 43 LYS N N 15 121.018 0.20 A 44 ALA H H 1 8.002 0.02 A 44 ALA HA H 1 4.167 0.02 A 44 ALA HB% H 1 1.376 0.02 A 44 ALA C C 13 179.230 0.20 A 44 ALA CA C 13 53.700 0.20 A 44 ALA CB C 13 18.600 0.20 A 44 ALA N N 15 122.281 0.20 A 45 LEU H H 1 7.865 0.02 A 45 LEU HA H 1 4.162 0.02 A 45 LEU HBx H 1 1.645 0.02 A 45 LEU HBy H 1 1.645 0.02 A 45 LEU HDx% H 1 0.836 0.02 A 45 LEU HDy% H 1 0.836 0.02 A 45 LEU HG H 1 1.640 0.02 A 45 LEU C C 13 178.423 0.20 A 45 LEU CA C 13 56.400 0.20 A 45 LEU CB C 13 42.117 0.20 A 45 LEU CDy C 13 24.890 0.20 A 45 LEU CDx C 13 23.700 0.20 A 45 LEU CG C 13 27.070 0.20 A 45 LEU N N 15 119.757 0.20 A 46 GLU H H 1 8.163 0.02 A 46 GLU HA H 1 4.363 0.02 A 46 GLU HBx H 1 1.987 0.02 A 46 GLU HBy H 1 1.987 0.02 A 46 GLU HGy H 1 2.303 0.02 A 46 GLU HGx H 1 2.181 0.02 A 46 GLU C C 13 177.677 0.20 A 46 GLU CA C 13 57.900 0.20 A 46 GLU CB C 13 30.000 0.20 A 46 GLU CG C 13 36.480 0.20 A 46 GLU N N 15 120.219 0.20 A 47 ASP H H 1 8.321 0.02 A 47 ASP HA H 1 4.401 0.02 A 47 ASP HBx H 1 2.616 0.02 A 47 ASP HBy H 1 2.616 0.02 A 47 ASP C C 13 177.169 0.20 A 47 ASP CA C 13 55.964 0.20 A 47 ASP CB C 13 40.600 0.20 A 47 ASP N N 15 120.705 0.20 A 48 LYS H H 1 7.999 0.02 A 48 LYS HA H 1 4.185 0.02 A 48 LYS HBx H 1 1.808 0.02 A 48 LYS HBy H 1 1.808 0.02 A 48 LYS HGx H 1 1.409 0.02 A 48 LYS HGy H 1 1.409 0.02 A 48 LYS C C 13 177.486 0.20 A 48 LYS CA C 13 57.117 0.20 A 48 LYS CB C 13 32.572 0.20 A 48 LYS CG C 13 24.818 0.20 A 48 LYS N N 15 120.758 0.20 A 49 LEU H H 1 8.090 0.02 A 49 LEU HA H 1 4.186 0.02 A 49 LEU HBx H 1 1.655 0.02 A 49 LEU HBy H 1 1.655 0.02 A 49 LEU HDx% H 1 0.822 0.02 A 49 LEU HDy% H 1 0.822 0.02 A 49 LEU HG H 1 1.523 0.02 A 49 LEU C C 13 177.776 0.20 A 49 LEU CA C 13 55.700 0.20 A 49 LEU CB C 13 41.977 0.20 A 49 LEU CDy C 13 25.052 0.20 A 49 LEU CDx C 13 23.374 0.20 A 49 LEU CG C 13 27.070 0.20 A 49 LEU N N 15 121.310 0.20 A 50 ALA H H 1 7.988 0.02 A 50 ALA HA H 1 4.176 0.02 A 50 ALA HB% H 1 1.349 0.02 A 50 ALA C C 13 177.838 0.20 A 50 ALA CA C 13 53.100 0.20 A 50 ALA CB C 13 19.200 0.20 A 50 ALA N N 15 123.303 0.20 A 51 ASP H H 1 8.124 0.02 A 51 ASP HA H 1 4.483 0.02 A 51 ASP HBx H 1 2.620 0.02 A 51 ASP HBy H 1 2.620 0.02 A 51 ASP C C 13 176.613 0.20 A 51 ASP CA C 13 57.900 0.20 A 51 ASP CB C 13 41.224 0.20 A 51 ASP N N 15 119.088 0.20 A 52 LYS H H 1 8.168 0.02 A 52 LYS HA H 1 4.221 0.02 A 52 LYS HBy H 1 1.980 0.02 A 52 LYS HBx H 1 1.770 0.02 A 52 LYS C C 13 176.897 0.20 A 52 LYS CA C 13 56.616 0.20 A 52 LYS CB C 13 32.675 0.20 A 52 LYS CD C 13 28.926 0.20 A 52 LYS CG C 13 24.626 0.20 A 52 LYS N N 15 121.181 0.20 A 53 GLN H H 1 8.328 0.02 A 53 GLN HA H 1 4.190 0.02 A 53 GLN HBx H 1 1.951 0.02 A 53 GLN HBy H 1 1.951 0.02 A 53 GLN HGx H 1 2.269 0.02 A 53 GLN HGy H 1 2.269 0.02 A 53 GLN C C 13 176.333 0.20 A 53 GLN CA C 13 56.241 0.20 A 53 GLN CB C 13 29.208 0.20 A 53 GLN CG C 13 33.884 0.20 A 53 GLN N N 15 120.263 0.20 A 54 GLU H H 1 8.437 0.02 A 54 GLU HA H 1 4.125 0.02 A 54 GLU HBx H 1 1.867 0.02 A 54 GLU HBy H 1 1.867 0.02 A 54 GLU HGx H 1 2.113 0.02 A 54 GLU HGy H 1 2.113 0.02 A 54 GLU C C 13 176.641 0.20 A 54 GLU CA C 13 57.266 0.20 A 54 GLU CB C 13 30.259 0.20 A 54 GLU CG C 13 36.269 0.20 A 54 GLU N N 15 121.394 0.20 A 55 HIS H H 1 8.358 0.02 A 55 HIS HA H 1 4.549 0.02 A 55 HIS HBx H 1 3.048 0.02 A 55 HIS HBy H 1 3.048 0.02 A 55 HIS C C 13 175.429 0.20 A 55 HIS CA C 13 56.200 0.20 A 55 HIS CB C 13 30.400 0.20 A 55 HIS N N 15 119.411 0.20 A 56 LEU H H 1 8.136 0.02 A 56 LEU HA H 1 4.218 0.02 A 56 LEU HBx H 1 1.526 0.02 A 56 LEU HBy H 1 1.526 0.02 A 56 LEU HD1% H 1 0.774 0.02 A 56 LEU HG H 1 1.526 0.02 A 56 LEU C C 13 177.328 0.20 A 56 LEU CA C 13 55.436 0.20 A 56 LEU CB C 13 42.159 0.20 A 56 LEU CDx C 13 23.407 0.20 A 56 LEU CDy C 13 24.800 0.20 A 56 LEU CG C 13 26.744 0.20 A 56 LEU N N 15 122.756 0.20 A 57 ASN H H 1 8.453 0.02 A 57 ASN HA H 1 4.585 0.02 A 57 ASN HBx H 1 2.757 0.02 A 57 ASN HBy H 1 2.757 0.02 A 57 ASN C C 13 176.014 0.20 A 57 ASN CA C 13 53.493 0.20 A 57 ASN CB C 13 38.732 0.20 A 57 ASN N N 15 119.024 0.20 A 58 GLY H H 1 8.377 0.02 A 58 GLY HAx H 1 3.852 0.02 A 58 GLY HAy H 1 3.852 0.02 A 58 GLY C C 13 174.217 0.20 A 58 GLY CA C 13 45.821 0.20 A 58 GLY N N 15 109.430 0.20 A 59 ALA H H 1 8.076 0.02 A 59 ALA HA H 1 4.208 0.02 A 59 ALA HB% H 1 1.321 0.02 A 59 ALA C C 13 177.942 0.20 A 59 ALA CA C 13 52.776 0.20 A 59 ALA CB C 13 19.101 0.20 A 59 ALA N N 15 123.425 0.20 A 60 LEU H H 1 8.053 0.02 A 60 LEU HA H 1 4.181 0.02 A 60 LEU HBx H 1 1.527 0.02 A 60 LEU HBy H 1 1.527 0.02 A 60 LEU HDx% H 1 0.797 0.02 A 60 LEU HDy% H 1 0.797 0.02 A 60 LEU HG H 1 1.440 0.02 A 60 LEU C C 13 177.239 0.20 A 60 LEU CA C 13 55.200 0.20 A 60 LEU CB C 13 42.041 0.20 A 60 LEU CDx C 13 23.558 0.20 A 60 LEU CDy C 13 23.558 0.20 A 60 LEU N N 15 120.201 0.20 A 61 ARG H H 1 8.055 0.02 A 61 ARG HA H 1 4.152 0.02 A 61 ARG HBx H 1 1.604 0.02 A 61 ARG HBy H 1 1.604 0.02 A 61 ARG HDy H 1 3.051 0.02 A 61 ARG HDx H 1 3.050 0.02 A 61 ARG HGx H 1 1.381 0.02 A 61 ARG HGy H 1 1.381 0.02 A 61 ARG C C 13 175.926 0.20 A 61 ARG CA C 13 56.384 0.20 A 61 ARG CB C 13 30.766 0.20 A 61 ARG CG C 13 26.905 0.20 A 61 ARG N N 15 120.969 0.20 A 62 TYR H H 1 8.130 0.02 A 62 TYR HA H 1 4.507 0.02 A 62 TYR HBy H 1 2.974 0.02 A 62 TYR HBx H 1 2.844 0.02 A 62 TYR C C 13 175.745 0.20 A 62 TYR CA C 13 58.135 0.20 A 62 TYR CB C 13 38.658 0.20 A 62 TYR N N 15 120.720 0.20 A 63 ILE H H 1 7.966 0.02 A 63 ILE HA H 1 3.974 0.02 A 63 ILE HB H 1 1.732 0.02 A 63 ILE HD1% H 1 1.050 0.02 A 63 ILE HG1x H 1 1.355 0.02 A 63 ILE HG1y H 1 1.355 0.02 A 63 ILE HG2% H 1 0.780 0.02 A 63 ILE C C 13 175.686 0.20 A 63 ILE CA C 13 61.400 0.20 A 63 ILE CB C 13 38.766 0.20 A 63 ILE CG1 C 13 27.621 0.20 A 63 ILE CG2 C 13 17.499 0.20 A 63 ILE N N 15 122.419 0.20 A 64 ASN H H 1 8.388 0.02 A 64 ASN HA H 1 4.574 0.02 A 64 ASN HBy H 1 2.776 0.02 A 64 ASN HBx H 1 2.690 0.02 A 64 ASN C C 13 175.491 0.20 A 64 ASN CA C 13 53.294 0.20 A 64 ASN CB C 13 38.731 0.20 A 64 ASN N N 15 121.968 0.20 A 65 GLU H H 1 8.481 0.02 A 65 GLU HA H 1 4.135 0.02 A 65 GLU HBx H 1 1.925 0.02 A 65 GLU HBy H 1 1.925 0.02 A 65 GLU HGx H 1 2.197 0.02 A 65 GLU HGy H 1 2.197 0.02 A 65 GLU C C 13 176.882 0.20 A 65 GLU CA C 13 57.584 0.20 A 65 GLU CB C 13 30.100 0.20 A 65 GLU CG C 13 36.300 0.20 A 65 GLU N N 15 122.221 0.20 A 66 LYS H H 1 8.253 0.02 A 66 LYS HA H 1 4.096 0.02 A 66 LYS HBx H 1 1.781 0.02 A 66 LYS HBy H 1 1.781 0.02 A 66 LYS HDx H 1 1.745 0.02 A 66 LYS HDy H 1 1.745 0.02 A 66 LYS HGx H 1 1.394 0.02 A 66 LYS HGy H 1 1.394 0.02 A 66 LYS C C 13 177.277 0.20 A 66 LYS CA C 13 56.942 0.20 A 66 LYS CB C 13 32.649 0.20 A 66 LYS CG C 13 24.781 0.20 A 66 LYS N N 15 121.032 0.20 A 67 GLU H H 1 8.254 0.02 A 67 GLU HA H 1 4.111 0.02 A 67 GLU HBx H 1 1.918 0.02 A 67 GLU HBy H 1 1.918 0.02 A 67 GLU HGx H 1 2.190 0.02 A 67 GLU HGy H 1 2.190 0.02 A 67 GLU C C 13 176.773 0.20 A 67 GLU CA C 13 57.229 0.20 A 67 GLU CB C 13 30.052 0.20 A 67 GLU CG C 13 36.297 0.20 A 67 GLU N N 15 121.526 0.20 A 68 ALA H H 1 8.179 0.02 A 68 ALA HA H 1 4.123 0.02 A 68 ALA HB% H 1 1.389 0.02 A 68 ALA C C 13 178.175 0.20 A 68 ALA CA C 13 53.009 0.20 A 68 ALA CB C 13 19.500 0.20 A 68 ALA N N 15 123.949 0.20 A 69 GLU H H 1 8.174 0.02 A 69 GLU HA H 1 4.115 0.02 A 69 GLU HBx H 1 1.929 0.02 A 69 GLU HBy H 1 1.929 0.02 A 69 GLU HGx H 1 2.186 0.02 A 69 GLU HGy H 1 2.186 0.02 A 69 GLU C C 13 176.735 0.20 A 69 GLU CA C 13 57.007 0.20 A 69 GLU CB C 13 30.306 0.20 A 69 GLU CG C 13 36.348 0.20 A 69 GLU N N 15 119.487 0.20 A 70 ARG H H 1 8.207 0.02 A 70 ARG HA H 1 4.188 0.02 A 70 ARG HBx H 1 1.750 0.02 A 70 ARG HBy H 1 1.750 0.02 A 70 ARG HDx H 1 3.130 0.02 A 70 ARG HDy H 1 3.130 0.02 A 70 ARG HGx H 1 1.549 0.02 A 70 ARG HGy H 1 1.549 0.02 A 70 ARG C C 13 176.431 0.20 A 70 ARG CA C 13 56.800 0.20 A 70 ARG CB C 13 30.300 0.20 A 70 ARG CD C 13 43.334 0.20 A 70 ARG CG C 13 27.090 0.20 A 70 ARG N N 15 122.146 0.20 A 71 LYS H H 1 8.333 0.02 A 71 LYS HA H 1 4.097 0.02 A 71 LYS C C 13 176.896 0.20 A 71 LYS CA C 13 56.482 0.20 A 71 LYS CB C 13 32.946 0.20 A 71 LYS CD C 13 29.246 0.20 A 71 LYS CG C 13 24.651 0.20 A 71 LYS N N 15 122.780 0.20 A 72 GLU H H 1 8.418 0.02 A 72 GLU HA H 1 4.154 0.02 A 72 GLU HBx H 1 1.966 0.02 A 72 GLU HBy H 1 1.966 0.02 A 72 GLU HGx H 1 2.146 0.02 A 72 GLU HGy H 1 2.290 0.02 A 72 GLU C C 13 177.351 0.20 A 72 GLU CA C 13 57.656 0.20 A 72 GLU CB C 13 30.766 0.20 A 72 GLU CG C 13 36.400 0.20 A 72 GLU N N 15 121.781 0.20 A 73 LYS H H 1 8.114 0.02 A 73 LYS HA H 1 4.196 0.02 A 73 LYS HBx H 1 1.736 0.02 A 73 LYS HBy H 1 1.736 0.02 A 73 LYS HGx H 1 1.371 0.02 A 73 LYS HGy H 1 1.371 0.02 A 73 LYS C C 13 176.781 0.20 A 73 LYS CA C 13 56.560 0.20 A 73 LYS CB C 13 33.069 0.20 A 73 LYS CD C 13 28.980 0.20 A 73 LYS CG C 13 24.617 0.20 A 73 LYS N N 15 120.687 0.20 A 74 GLU H H 1 8.426 0.02 A 74 GLU HA H 1 4.151 0.02 A 74 GLU HBy H 1 1.987 0.02 A 74 GLU HBx H 1 1.860 0.02 A 74 GLU HGx H 1 2.219 0.02 A 74 GLU HGy H 1 2.219 0.02 A 74 GLU C C 13 176.248 0.20 A 74 GLU CA C 13 56.797 0.20 A 74 GLU CB C 13 30.230 0.20 A 74 GLU CG C 13 36.414 0.20 A 74 GLU N N 15 122.178 0.20 A 75 ALA H H 1 8.242 0.02 A 75 ALA HA H 1 4.220 0.02 A 75 ALA HB% H 1 1.332 0.02 A 75 ALA C C 13 177.661 0.20 A 75 ALA CA C 13 52.518 0.20 A 75 ALA CB C 13 19.362 0.20 A 75 ALA N N 15 124.344 0.20 A 76 GLU H H 1 8.332 0.02 A 76 GLU HA H 1 4.185 0.02 A 76 GLU HBy H 1 2.023 0.02 A 76 GLU HBx H 1 1.858 0.02 A 76 GLU HGx H 1 2.217 0.02 A 76 GLU HGy H 1 2.217 0.02 A 76 GLU C C 13 175.702 0.20 A 76 GLU CA C 13 56.708 0.20 A 76 GLU CB C 13 30.382 0.20 A 76 GLU CG C 13 36.398 0.20 A 76 GLU N N 15 120.588 0.20 A 77 GLN H H 1 7.954 0.02 A 77 GLN HA H 1 4.190 0.02 A 77 GLN HBx H 1 1.951 0.02 A 77 GLN HBy H 1 1.951 0.02 A 77 GLN HGx H 1 2.269 0.02 A 77 GLN HGy H 1 2.269 0.02 A 77 GLN C C 13 180.500 0.20 A 77 GLN CA C 13 57.350 0.20 A 77 GLN CB C 13 29.008 0.20 A 77 GLN CG C 13 33.884 0.20 A 77 GLN N N 15 125.920 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 4 GLU H A 3 VAL HA 1.0 3.0 4.0 2 2 A 4 GLU H A 4 GLU HBy 1.0 2.5 4.0 3 2 A 4 GLU H A 4 GLU HBx 1.0 2.5 4.0 4 3 A 5 LYS H A 4 GLU HA 1.0 3.0 4.0 5 4 A 5 LYS H A 5 LYS HBx 1.0 2.5 4.0 6 4 A 5 LYS H A 5 LYS HBy 1.0 2.5 4.0 7 5 A 6 LEU H A 5 LYS HA 1.0 3.0 4.0 8 6 A 6 LEU H A 6 LEU HBx 1.0 2.5 4.0 9 6 A 6 LEU H A 6 LEU HBy 1.0 2.5 4.0 10 7 A 7 THR H A 6 LEU HA 1.0 3.0 4.0 11 8 A 6 LEU HBy A 7 THR H 1.0 2.5 4.5 12 9 A 7 THR H A 7 THR HG1 1.0 2.5 5.5 13 10 A 8 ALA H A 7 THR HA 1.0 3.0 4.0 14 11 A 8 ALA H A 8 ALA HA 1.0 2.5 3.5 15 12 A 8 ALA H A 8 ALA HB% 1.0 2.5 4.0 16 13 A 8 ALA HA A 9 ASP H 1.0 3.0 4.0 17 14 A 8 ALA HB% A 9 ASP H 1.0 3.0 5.0 18 15 A 9 ASP H A 9 ASP HA 1.0 2.5 3.5 19 16 A 9 ASP H A 9 ASP HBx 1.0 2.5 4.0 20 16 A 9 ASP H A 9 ASP HBy 1.0 2.5 4.0 21 17 A 9 ASP HA A 10 ALA H 1.0 3.0 4.0 22 18 A 10 ALA H A 9 ASP HBx 1.0 3.0 5.0 23 18 A 9 ASP HBy A 10 ALA H 1.0 3.0 5.0 24 19 A 10 ALA H A 10 ALA HA 1.0 2.5 3.5 25 20 A 10 ALA H A 10 ALA HB% 1.0 2.5 4.0 26 21 A 10 ALA HB% A 11 GLU H 1.0 3.0 5.0 27 22 A 11 GLU H A 11 GLU HA 1.0 2.5 3.5 28 23 A 11 GLU H A 11 GLU HBx 1.0 2.5 4.0 29 23 A 11 GLU H A 11 GLU HBy 1.0 2.5 4.0 30 24 A 11 GLU H A 11 GLU HGx 1.0 2.0 5.0 31 24 A 11 GLU H A 11 GLU HGy 1.0 2.0 5.0 32 25 A 9 ASP HA A 12 LEU H 1.0 3.0 4.0 33 26 A 10 ALA HA A 12 LEU H 1.0 3.9 4.9 34 27 A 11 GLU HA A 12 LEU H 1.0 3.0 4.0 35 28 A 12 LEU H A 11 GLU HBx 1.0 2.0 5.0 36 28 A 11 GLU HBy A 12 LEU H 1.0 2.0 5.0 37 29 A 12 LEU H A 12 LEU HA 1.0 2.5 3.5 38 30 A 12 LEU H A 12 LEU HBy 1.0 2.5 4.0 39 30 A 12 LEU H A 12 LEU HBx 1.0 2.5 4.0 40 31 A 10 ALA HA A 13 GLN H 1.0 3.0 4.0 41 32 A 11 GLU HA A 13 GLN H 1.0 2.9 4.9 42 33 A 12 LEU HA A 13 GLN H 1.0 3.0 4.0 43 34 A 13 GLN H A 12 LEU HBy 1.0 2.0 5.0 44 34 A 12 LEU HBx A 13 GLN H 1.0 2.0 5.0 45 35 A 13 GLN H A 13 GLN HBx 1.0 2.5 4.0 46 35 A 13 GLN H A 13 GLN HBy 1.0 2.5 4.0 47 36 A 13 GLN H A 13 GLN HGx 1.0 2.5 5.5 48 36 A 13 GLN H A 13 GLN HGy 1.0 2.5 5.5 49 37 A 14 ARG H A 14 ARG HA 1.0 2.5 3.5 50 38 A 14 ARG H A 14 ARG HBx 1.0 2.5 4.0 51 38 A 14 ARG H A 14 ARG HBy 1.0 2.5 4.0 52 39 A 14 ARG HA A 15 LEU H 1.0 3.0 4.0 53 40 A 15 LEU H A 15 LEU HA 1.0 2.5 3.5 54 41 A 15 LEU H A 15 LEU HBx 1.0 2.5 4.0 55 41 A 15 LEU H A 15 LEU HBy 1.0 2.5 4.0 56 42 A 16 LYS H A 15 LEU HBx 1.0 3.0 5.0 57 42 A 15 LEU HBy A 16 LYS H 1.0 3.0 5.0 58 43 A 16 LYS H A 16 LYS HA 1.0 2.5 3.5 59 44 A 16 LYS HA A 17 ASN H 1.0 3.0 4.0 60 45 A 17 ASN H A 17 ASN HA 1.0 2.5 3.5 61 46 A 17 ASN H A 17 ASN HBx 1.0 2.5 4.0 62 46 A 17 ASN H A 17 ASN HBy 1.0 2.5 4.0 63 47 A 17 ASN HA A 18 GLU H 1.0 3.0 4.0 64 48 A 18 GLU H A 17 ASN HBx 1.0 3.0 5.0 65 48 A 17 ASN HBy A 18 GLU H 1.0 3.0 5.0 66 49 A 18 GLU H A 18 GLU HBx 1.0 2.5 4.0 67 49 A 18 GLU H A 18 GLU HBy 1.0 2.5 4.0 68 50 A 19 ARG H A 18 GLU HA 1.0 3.0 4.0 69 51 A 19 ARG H A 19 ARG HBx 1.0 2.5 4.0 70 51 A 19 ARG H A 19 ARG HBy 1.0 2.5 4.0 71 52 A 20 HIS H A 20 HIS HA 1.0 3.0 4.0 72 53 A 20 HIS H A 20 HIS HBx 1.0 2.5 4.0 73 53 A 20 HIS H A 20 HIS HBy 1.0 2.5 4.0 74 54 A 20 HIS HA A 21 GLU H 1.0 3.0 5.0 75 55 A 21 GLU H A 20 HIS HBx 1.0 2.0 5.0 76 55 A 20 HIS HBy A 21 GLU H 1.0 2.0 5.0 77 56 A 21 GLU H A 21 GLU HA 1.0 2.5 3.5 78 57 A 21 GLU H A 21 GLU HBx 1.0 2.5 4.0 79 57 A 21 GLU H A 21 GLU HBy 1.0 2.5 4.0 80 58 A 21 GLU HA A 22 GLU H 1.0 3.0 4.0 81 59 A 22 GLU H A 22 GLU HA 1.0 2.5 3.5 82 60 A 22 GLU H A 22 GLU HBx 1.0 2.5 4.0 83 60 A 22 GLU H A 22 GLU HBy 1.0 2.5 4.0 84 61 A 22 GLU H A 22 GLU HGx 1.0 2.0 4.5 85 61 A 22 GLU H A 22 GLU HGy 1.0 2.0 4.5 86 62 A 22 GLU HA A 23 ALA H 1.0 3.0 4.0 87 63 A 23 ALA H A 22 GLU HBx 1.0 3.0 5.0 88 63 A 22 GLU HBy A 23 ALA H 1.0 3.0 5.0 89 64 A 23 ALA H A 23 ALA HA 1.0 2.5 3.5 90 65 A 23 ALA H A 23 ALA HB% 1.0 2.5 4.0 91 66 A 23 ALA HA A 24 GLU H 1.0 3.0 4.0 92 67 A 23 ALA HB% A 24 GLU H 1.0 3.0 5.0 93 68 A 24 GLU H A 24 GLU HA 1.0 2.5 3.5 94 69 A 24 GLU H A 24 GLU HBx 1.0 2.5 4.0 95 69 A 24 GLU H A 24 GLU HBy 1.0 2.5 4.0 96 70 A 23 ALA HA A 25 LEU H 1.0 3.9 4.9 97 71 A 24 GLU HA A 25 LEU H 1.0 3.0 4.0 98 72 A 25 LEU H A 25 LEU HA 1.0 2.5 3.5 99 73 A 25 LEU H A 25 LEU HBx 1.0 2.5 4.0 100 73 A 25 LEU H A 25 LEU HBy 1.0 2.5 4.0 101 74 A 23 ALA HA A 26 GLU H 1.0 3.0 4.0 102 75 A 25 LEU HA A 26 GLU H 1.0 3.0 4.0 103 76 A 26 GLU H A 25 LEU HBx 1.0 3.0 5.0 104 76 A 25 LEU HBy A 26 GLU H 1.0 3.0 5.0 105 77 A 26 GLU H A 26 GLU HBx 1.0 2.5 4.0 106 77 A 26 GLU H A 26 GLU HBy 1.0 2.5 4.0 107 78 A 26 GLU H A 26 GLU HA 1.0 2.5 3.5 108 79 A 26 GLU H A 26 GLU HGx 1.0 2.0 5.0 109 79 A 26 GLU H A 26 GLU HGy 1.0 2.0 5.0 110 80 A 26 GLU HA A 27 ARG H 1.0 3.0 4.0 111 81 A 27 ARG H A 27 ARG HA 1.0 2.5 3.5 112 82 A 27 ARG H A 27 ARG HBx 1.0 2.5 4.0 113 82 A 27 ARG H A 27 ARG HBy 1.0 2.5 4.0 114 83 A 27 ARG HA A 28 LEU H 1.0 3.0 4.0 115 84 A 28 LEU H A 28 LEU HA 1.0 2.5 3.5 116 85 A 28 LEU H A 28 LEU HBx 1.0 2.5 4.0 117 85 A 28 LEU H A 28 LEU HBy 1.0 2.5 4.0 118 86 A 28 LEU HA A 29 LYS H 1.0 3.0 4.0 119 87 A 29 LYS H A 28 LEU HBx 1.0 3.0 5.0 120 87 A 28 LEU HBy A 29 LYS H 1.0 3.0 5.0 121 88 A 29 LYS H A 29 LYS HA 1.0 2.5 3.5 122 89 A 29 LYS H A 29 LYS HBx 1.0 2.5 4.0 123 89 A 29 LYS H A 29 LYS HBy 1.0 2.5 4.0 124 90 A 29 LYS HA A 30 SER H 1.0 3.0 4.0 125 91 A 30 SER H A 29 LYS HBx 1.0 3.0 5.0 126 91 A 29 LYS HBy A 30 SER H 1.0 3.0 5.0 127 92 A 30 SER H A 30 SER HA 1.0 2.5 3.5 128 93 A 30 SER H A 30 SER HBx 1.0 2.5 4.0 129 93 A 30 SER H A 30 SER HBy 1.0 2.5 4.0 130 94 A 30 SER HA A 31 GLU H 1.0 3.0 4.0 131 95 A 31 GLU H A 30 SER HBx 1.0 3.0 5.0 132 95 A 30 SER HBy A 31 GLU H 1.0 3.0 5.0 133 96 A 31 GLU H A 31 GLU HA 1.0 2.5 3.5 134 97 A 31 GLU H A 31 GLU HBx 1.0 2.5 4.0 135 97 A 31 GLU H A 31 GLU HBy 1.0 2.5 4.0 136 98 A 31 GLU HA A 32 ARG H 1.0 3.0 4.0 137 99 A 32 ARG H A 31 GLU HBx 1.0 3.0 5.0 138 99 A 31 GLU HBy A 32 ARG H 1.0 3.0 5.0 139 100 A 33 HIS H A 32 ARG HA 1.0 3.0 4.0 140 101 A 34 ASP H A 33 HIS HA 1.0 3.0 4.0 141 102 A 35 HIS H A 34 ASP HBx 1.0 3.0 5.0 142 102 A 35 HIS H A 34 ASP HBy 1.0 3.0 5.0 143 103 A 36 ASP H A 35 HIS HA 1.0 3.0 4.0 144 104 A 36 ASP H A 36 ASP HA 1.0 2.5 3.5 145 105 A 36 ASP H A 36 ASP HBx 1.0 2.5 4.0 146 105 A 36 ASP H A 36 ASP HBy 1.0 2.5 4.0 147 106 A 36 ASP HA A 37 LYS H 1.0 3.0 4.0 148 107 A 37 LYS H A 37 LYS HA 1.0 2.5 3.5 149 108 A 37 LYS HA A 38 LYS H 1.0 3.0 4.0 150 109 A 38 LYS H A 38 LYS HA 1.0 2.5 3.5 151 110 A 38 LYS H A 38 LYS HBx 1.0 2.5 4.0 152 110 A 38 LYS H A 38 LYS HBy 1.0 2.5 4.0 153 111 A 38 LYS HA A 39 GLU H 1.0 3.0 4.0 154 112 A 39 GLU H A 39 GLU HBx 1.0 2.5 4.0 155 112 A 39 GLU H A 39 GLU HBy 1.0 2.5 4.0 156 113 A 40 ALA H A 39 GLU HA 1.0 3.0 4.0 157 114 A 40 ALA H A 39 GLU HBx 1.0 3.0 5.0 158 114 A 39 GLU HBy A 40 ALA H 1.0 3.0 5.0 159 115 A 40 ALA H A 40 ALA HA 1.0 2.5 3.5 160 116 A 40 ALA H A 40 ALA HB% 1.0 2.5 4.0 161 117 A 40 ALA HA A 41 GLU H 1.0 3.0 4.0 162 118 A 40 ALA HB% A 41 GLU H 1.0 3.0 5.0 163 119 A 41 GLU H A 41 GLU HBx 1.0 2.5 4.0 164 119 A 41 GLU H A 41 GLU HBy 1.0 2.5 4.0 165 120 A 42 ARG H A 41 GLU HA 1.0 3.0 4.0 166 121 A 42 ARG H A 42 ARG HBx 1.0 2.5 4.0 167 121 A 42 ARG H A 42 ARG HBy 1.0 2.5 4.0 168 122 A 43 LYS H A 42 ARG HA 1.0 3.0 4.0 169 123 A 43 LYS H A 43 LYS HBx 1.0 2.5 4.0 170 123 A 43 LYS H A 43 LYS HBy 1.0 2.5 4.0 171 124 A 44 ALA H A 43 LYS HA 1.0 3.0 4.0 172 125 A 44 ALA H A 43 LYS HBx 1.0 3.0 5.0 173 125 A 43 LYS HBy A 44 ALA H 1.0 3.0 5.0 174 126 A 44 ALA H A 44 ALA HA 1.0 2.5 3.5 175 127 A 42 ARG HA A 45 LEU H 1.0 3.0 4.0 176 128 A 44 ALA HA A 45 LEU H 1.0 3.0 4.0 177 129 A 45 LEU H A 44 ALA HB% 1.0 3.0 5.0 178 130 A 45 LEU H A 45 LEU HA 1.0 2.5 3.5 179 131 A 45 LEU H A 45 LEU HBx 1.0 2.5 4.0 180 131 A 45 LEU H A 45 LEU HBy 1.0 2.5 4.0 181 132 A 45 LEU HA A 46 GLU H 1.0 3.0 4.0 182 133 A 46 GLU H A 45 LEU HBx 1.0 3.0 5.0 183 133 A 45 LEU HBy A 46 GLU H 1.0 3.0 5.0 184 134 A 46 GLU H A 46 GLU HBx 1.0 2.5 4.0 185 134 A 46 GLU H A 46 GLU HBy 1.0 2.5 4.0 186 135 A 44 ALA HA A 47 ASP H 1.0 3.0 4.0 187 136 A 47 ASP H A 46 GLU HA 1.0 3.0 4.0 188 137 A 47 ASP H A 46 GLU HBx 1.0 3.0 5.0 189 137 A 46 GLU HBy A 47 ASP H 1.0 3.0 5.0 190 138 A 47 ASP H A 47 ASP HA 1.0 2.5 3.5 191 139 A 47 ASP H A 47 ASP HBx 1.0 2.5 4.0 192 139 A 47 ASP H A 47 ASP HBy 1.0 2.5 4.0 193 140 A 45 LEU HA A 48 LYS H 1.0 3.0 4.0 194 141 A 47 ASP HA A 48 LYS H 1.0 3.0 4.0 195 142 A 48 LYS H A 47 ASP HBx 1.0 3.0 5.0 196 142 A 47 ASP HBy A 48 LYS H 1.0 3.0 5.0 197 143 A 48 LYS H A 48 LYS HA 1.0 2.5 3.5 198 144 A 48 LYS H A 48 LYS HBx 1.0 2.5 4.0 199 144 A 48 LYS H A 48 LYS HBy 1.0 2.5 4.0 200 145 A 46 GLU HA A 49 LEU H 1.0 3.0 4.0 201 146 A 48 LYS HA A 49 LEU H 1.0 3.0 4.0 202 147 A 49 LEU H A 49 LEU HA 1.0 2.5 3.5 203 148 A 49 LEU H A 49 LEU HBx 1.0 2.5 4.0 204 148 A 49 LEU H A 49 LEU HBy 1.0 2.5 4.0 205 149 A 49 LEU HA A 50 ALA H 1.0 3.0 4.0 206 150 A 50 ALA H A 49 LEU HBx 1.0 2.5 5.5 207 150 A 49 LEU HBy A 50 ALA H 1.0 2.5 5.5 208 151 A 50 ALA H A 50 ALA HA 1.0 2.5 3.5 209 152 A 50 ALA H A 50 ALA HB% 1.0 2.5 4.0 210 153 A 48 LYS HA A 51 ASP H 1.0 3.0 4.0 211 154 A 50 ALA HA A 51 ASP H 1.0 3.0 4.0 212 155 A 50 ALA HB% A 51 ASP H 1.0 3.0 5.0 213 156 A 51 ASP H A 51 ASP HA 1.0 2.5 3.5 214 157 A 51 ASP H A 51 ASP HBx 1.0 2.5 4.0 215 157 A 51 ASP H A 51 ASP HBy 1.0 2.5 4.0 216 158 A 51 ASP HA A 52 LYS H 1.0 3.0 4.0 217 159 A 52 LYS H A 51 ASP HBx 1.0 2.5 5.5 218 159 A 51 ASP HBy A 52 LYS H 1.0 2.5 5.5 219 160 A 52 LYS H A 52 LYS HA 1.0 2.5 3.5 220 161 A 52 LYS HA A 53 GLN H 1.0 3.0 4.0 221 162 A 54 GLU H A 53 GLN HA 1.0 3.0 4.0 222 163 A 54 GLU H A 54 GLU HBx 1.0 2.5 4.0 223 163 A 54 GLU H A 54 GLU HBy 1.0 2.5 4.0 224 164 A 56 LEU H A 55 HIS HA 1.0 3.0 4.0 225 165 A 57 ASN H A 56 LEU HA 1.0 3.0 4.0 226 166 A 57 ASN H A 57 ASN HA 1.0 2.5 3.5 227 167 A 57 ASN H A 57 ASN HBx 1.0 2.5 4.0 228 167 A 57 ASN H A 57 ASN HBy 1.0 2.5 4.0 229 168 A 58 GLY H A 58 GLY HAx 1.0 2.5 3.5 230 168 A 58 GLY H A 58 GLY HAy 1.0 2.5 3.5 231 169 A 59 ALA H A 58 GLY HAx 1.0 3.0 4.5 232 169 A 58 GLY HAy A 59 ALA H 1.0 3.0 4.5 233 170 A 59 ALA H A 59 ALA HA 1.0 2.5 3.5 234 171 A 59 ALA HA A 60 LEU H 1.0 3.0 4.0 235 172 A 60 LEU H A 60 LEU HA 1.0 2.5 3.5 236 173 A 60 LEU H A 60 LEU HBx 1.0 2.5 4.0 237 173 A 60 LEU H A 60 LEU HBy 1.0 2.5 4.0 238 174 A 61 ARG H A 61 ARG HA 1.0 2.5 3.5 239 175 A 61 ARG HA A 62 TYR H 1.0 3.0 4.0 240 176 A 62 TYR H A 62 TYR HA 1.0 2.5 3.5 241 177 A 62 TYR HA A 63 ILE H 1.0 3.0 4.0 242 178 A 63 ILE H A 63 ILE HA 1.0 2.5 3.5 243 179 A 63 ILE H A 63 ILE HB 1.0 2.5 4.0 244 180 A 63 ILE H A 63 ILE HD1% 1.0 2.5 5.5 245 181 A 63 ILE HA A 64 ASN H 1.0 2.5 4.5 246 182 A 64 ASN H A 64 ASN HBy 1.0 2.5 5.5 247 182 A 64 ASN H A 64 ASN HBx 1.0 2.5 5.5 248 183 A 65 GLU H A 64 ASN HA 1.0 3.0 4.0 249 184 A 65 GLU H A 65 GLU HA 1.0 2.5 3.5 250 185 A 65 GLU H A 65 GLU HBx 1.0 2.5 4.0 251 185 A 65 GLU H A 65 GLU HBy 1.0 2.5 4.0 252 186 A 67 GLU H A 66 LYS HA 1.0 3.0 4.0 253 187 A 67 GLU H A 66 LYS HBx 1.0 3.0 5.0 254 187 A 67 GLU H A 66 LYS HBy 1.0 3.0 5.0 255 188 A 68 ALA H A 67 GLU HA 1.0 3.0 4.0 256 189 A 68 ALA H A 67 GLU HBx 1.0 3.0 5.0 257 189 A 68 ALA H A 67 GLU HBy 1.0 3.0 5.0 258 190 A 68 ALA H A 67 GLU HGx 1.0 2.0 5.0 259 190 A 68 ALA H A 67 GLU HGy 1.0 2.0 5.0 260 191 A 68 ALA H A 68 ALA HA 1.0 2.5 3.5 261 192 A 68 ALA H A 68 ALA HB% 1.0 2.5 4.0 262 193 A 68 ALA HA A 69 GLU H 1.0 3.0 4.0 263 194 A 68 ALA HB% A 69 GLU H 1.0 3.0 5.0 264 195 A 69 GLU H A 69 GLU HA 1.0 2.5 3.5 265 196 A 69 GLU H A 69 GLU HBx 1.0 2.5 4.0 266 196 A 69 GLU H A 69 GLU HBy 1.0 2.5 4.0 267 197 A 69 GLU HA A 70 ARG H 1.0 3.0 4.0 268 198 A 70 ARG H A 70 ARG HBx 1.0 2.5 4.0 269 198 A 70 ARG H A 70 ARG HBy 1.0 2.5 4.0 270 199 A 71 LYS H A 70 ARG HA 1.0 3.0 4.0 271 200 A 71 LYS H A 70 ARG HBx 1.0 3.0 5.0 272 200 A 70 ARG HBy A 71 LYS H 1.0 3.0 5.0 273 201 A 71 LYS H A 71 LYS HBx 1.0 2.5 4.0 274 201 A 71 LYS H A 71 LYS HBy 1.0 2.5 4.0 275 202 A 72 GLU H A 71 LYS HA 1.0 3.0 4.0 276 203 A 72 GLU H A 71 LYS HBx 1.0 2.5 5.0 277 203 A 71 LYS HBy A 72 GLU H 1.0 2.5 5.0 278 204 A 73 LYS H A 72 GLU HA 1.0 3.0 4.0 279 205 A 73 LYS H A 72 GLU HBx 1.0 3.0 5.0 280 205 A 73 LYS H A 72 GLU HBy 1.0 3.0 5.0 281 206 A 73 LYS H A 73 LYS HA 1.0 2.5 3.5 282 207 A 73 LYS H A 73 LYS HBx 1.0 2.5 4.0 283 207 A 73 LYS H A 73 LYS HBy 1.0 2.5 4.0 284 208 A 73 LYS HA A 74 GLU H 1.0 3.0 4.0 285 209 A 74 GLU H A 73 LYS HBx 1.0 2.5 5.5 286 209 A 73 LYS HBy A 74 GLU H 1.0 2.5 5.5 287 210 A 74 GLU H A 74 GLU HBy 1.0 2.5 4.0 288 210 A 74 GLU H A 74 GLU HBx 1.0 2.5 4.0 289 211 A 74 GLU H A 74 GLU HGx 1.0 2.0 5.0 290 211 A 74 GLU H A 74 GLU HGy 1.0 2.0 5.0 291 212 A 75 ALA H A 74 GLU HA 1.0 3.0 4.0 292 213 A 75 ALA H A 75 ALA HA 1.0 2.5 3.5 293 214 A 75 ALA H A 74 GLU HBy 1.0 2.5 5.5 294 214 A 74 GLU HBx A 75 ALA H 1.0 2.5 5.5 295 215 A 75 ALA H A 75 ALA HB% 1.0 2.5 4.5 296 216 A 75 ALA HA A 76 GLU H 1.0 3.0 4.0 297 217 A 76 GLU H A 76 GLU HBy 1.0 2.5 4.0 298 217 A 76 GLU H A 76 GLU HBx 1.0 2.5 4.0 299 218 A 77 GLN H A 76 GLU HA 1.0 3.0 4.0 300 219 A 77 GLN H A 76 GLU HBy 1.0 3.0 5.0 301 219 A 76 GLU HBx A 77 GLN H 1.0 3.0 5.0 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 N A 9 ASP CA A 9 ASP C A 10 ALA N 1.0 -60.8 -20.8 PSI 2 2 A 9 ASP C A 10 ALA N A 10 ALA CA A 10 ALA C 1.0 -87.2 -47.2 PHI 3 3 A 10 ALA N A 10 ALA CA A 10 ALA C A 11 GLU N 1.0 -58.1 -18.1 PSI 4 4 A 10 ALA C A 11 GLU N A 11 GLU CA A 11 GLU C 1.0 -87.6 -47.6 PHI 5 5 A 11 GLU N A 11 GLU CA A 11 GLU C A 12 LEU N 1.0 -58.7 -18.7 PSI 6 6 A 11 GLU C A 12 LEU N A 12 LEU CA A 12 LEU C 1.0 -85.3 -45.3 PHI 7 7 A 12 LEU N A 12 LEU CA A 12 LEU C A 13 GLN N 1.0 -60.7 -20.7 PSI 8 8 A 12 LEU C A 13 GLN N A 13 GLN CA A 13 GLN C 1.0 -86.1 -46.1 PHI 9 9 A 13 GLN N A 13 GLN CA A 13 GLN C A 14 ARG N 1.0 -57.5 -17.5 PSI 10 10 A 13 GLN C A 14 ARG N A 14 ARG CA A 14 ARG C 1.0 -87.5 -47.5 PHI 11 11 A 14 ARG N A 14 ARG CA A 14 ARG C A 15 LEU N 1.0 -59.5 -19.5 PSI 12 12 A 14 ARG C A 15 LEU N A 15 LEU CA A 15 LEU C 1.0 -88.8 -48.8 PHI 13 13 A 15 LEU N A 15 LEU CA A 15 LEU C A 16 LYS N 1.0 -55.5 -15.5 PSI 14 14 A 15 LEU C A 16 LYS N A 16 LYS CA A 16 LYS C 1.0 -87.3 -47.3 PHI 15 15 A 16 LYS N A 16 LYS CA A 16 LYS C A 17 ASN N 1.0 -54.4 -14.4 PSI 16 16 A 16 LYS C A 17 ASN N A 17 ASN CA A 17 ASN C 1.0 -89.8 -49.8 PHI 17 17 A 17 ASN N A 17 ASN CA A 17 ASN C A 18 GLU N 1.0 -54.0 -14.0 PSI 18 18 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLU N 1.0 -58.2 -18.2 PSI 19 19 A 21 GLU C A 22 GLU N A 22 GLU CA A 22 GLU C 1.0 -85.1 -45.1 PHI 20 20 A 22 GLU N A 22 GLU CA A 22 GLU C A 23 ALA N 1.0 -61.2 -21.2 PSI 21 21 A 22 GLU C A 23 ALA N A 23 ALA CA A 23 ALA C 1.0 -85.5 -45.5 PHI 22 22 A 23 ALA N A 23 ALA CA A 23 ALA C A 24 GLU N 1.0 -58.6 -18.6 PSI 23 23 A 23 ALA C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -86.5 -46.5 PHI 24 24 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LEU N 1.0 -60.4 -20.4 PSI 25 25 A 24 GLU C A 25 LEU N A 25 LEU CA A 25 LEU C 1.0 -84.6 -44.6 PHI 26 26 A 25 LEU N A 25 LEU CA A 25 LEU C A 26 GLU N 1.0 -59.8 -19.8 PSI 27 27 A 25 LEU C A 26 GLU N A 26 GLU CA A 26 GLU C 1.0 -88.3 -48.3 PHI 28 28 A 26 GLU N A 26 GLU CA A 26 GLU C A 27 ARG N 1.0 -56.8 -16.8 PSI 29 29 A 26 GLU C A 27 ARG N A 27 ARG CA A 27 ARG C 1.0 -85.7 -45.7 PHI 30 30 A 27 ARG N A 27 ARG CA A 27 ARG C A 28 LEU N 1.0 -60.0 -20.0 PSI 31 31 A 27 ARG C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -90.0 -50.0 PHI 32 32 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 LYS N 1.0 -54.5 -14.5 PSI 33 33 A 28 LEU C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -86.9 -46.9 PHI 34 34 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 SER N 1.0 -56.5 -16.5 PSI 35 35 A 29 LYS C A 30 SER N A 30 SER CA A 30 SER C 1.0 -88.8 -48.8 PHI 36 36 A 30 SER N A 30 SER CA A 30 SER C A 31 GLU N 1.0 -50.4 -10.4 PSI 37 37 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 ASP N 1.0 -59.4 -19.4 PSI 38 38 A 35 HIS C A 36 ASP N A 36 ASP CA A 36 ASP C 1.0 -89.3 -49.3 PHI 39 39 A 36 ASP N A 36 ASP CA A 36 ASP C A 37 LYS N 1.0 -56.3 -16.3 PSI 40 40 A 36 ASP C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -86.8 -46.8 PHI 41 41 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 LYS N 1.0 -59.3 -19.3 PSI 42 42 A 37 LYS C A 38 LYS N A 38 LYS CA A 38 LYS C 1.0 -88.6 -48.6 PHI 43 43 A 38 LYS N A 38 LYS CA A 38 LYS C A 39 GLU N 1.0 -59.6 -19.6 PSI 44 44 A 38 LYS C A 39 GLU N A 39 GLU CA A 39 GLU C 1.0 -85.3 -45.3 PHI 45 45 A 39 GLU N A 39 GLU CA A 39 GLU C A 40 ALA N 1.0 -60.3 -20.3 PSI 46 46 A 39 GLU C A 40 ALA N A 40 ALA CA A 40 ALA C 1.0 -86.8 -46.8 PHI 47 47 A 40 ALA N A 40 ALA CA A 40 ALA C A 41 GLU N 1.0 -56.3 -16.3 PSI 48 48 A 40 ALA C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -87.0 -47.0 PHI 49 49 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 ARG N 1.0 -57.5 -17.5 PSI 50 50 A 41 GLU C A 42 ARG N A 42 ARG CA A 42 ARG C 1.0 -86.8 -46.8 PHI 51 51 A 42 ARG N A 42 ARG CA A 42 ARG C A 43 LYS N 1.0 -60.0 -20.0 PSI 52 52 A 42 ARG C A 43 LYS N A 43 LYS CA A 43 LYS C 1.0 -84.9 -44.9 PHI 53 53 A 43 LYS N A 43 LYS CA A 43 LYS C A 44 ALA N 1.0 -60.0 -20.0 PSI 54 54 A 43 LYS C A 44 ALA N A 44 ALA CA A 44 ALA C 1.0 -86.3 -46.3 PHI 55 55 A 44 ALA N A 44 ALA CA A 44 ALA C A 45 LEU N 1.0 -57.4 -17.4 PSI 56 56 A 44 ALA C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -89.2 -49.2 PHI 57 57 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 GLU N 1.0 -58.6 -18.6 PSI 58 58 A 45 LEU C A 46 GLU N A 46 GLU CA A 46 GLU C 1.0 -88.1 -48.1 PHI 59 59 A 46 GLU N A 46 GLU CA A 46 GLU C A 47 ASP N 1.0 -55.7 -15.7 PSI 60 60 A 46 GLU C A 47 ASP N A 47 ASP CA A 47 ASP C 1.0 -88.8 -48.8 PHI 61 61 A 47 ASP N A 47 ASP CA A 47 ASP C A 48 LYS N 1.0 -55.7 -15.7 PSI 62 62 A 47 ASP C A 48 LYS N A 48 LYS CA A 48 LYS C 1.0 -87.8 -47.8 PHI 63 63 A 48 LYS N A 48 LYS CA A 48 LYS C A 49 LEU N 1.0 -57.4 -17.4 PSI 64 64 A 48 LYS C A 49 LEU N A 49 LEU CA A 49 LEU C 1.0 -88.4 -48.4 PHI 65 65 A 49 LEU N A 49 LEU CA A 49 LEU C A 50 ALA N 1.0 -57.2 -17.2 PSI 66 66 A 49 LEU C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -86.7 -46.7 PHI 67 67 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 ASP N 1.0 -58.7 -18.7 PSI 68 68 A 50 ALA C A 51 ASP N A 51 ASP CA A 51 ASP C 1.0 -88.3 -48.3 PHI 69 69 A 51 ASP N A 51 ASP CA A 51 ASP C A 52 LYS N 1.0 -56.1 -16.1 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_