data_nef_c26802_5o6f save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 GLN middle . . 4 A 4 GLY middle . false 5 A 5 THR middle . . 6 A 6 VAL middle . . 7 A 7 LYS middle . . 8 A 8 TRP middle . . 9 A 9 PHE middle . . 10 A 10 ASN middle . . 11 A 11 ALA middle . . 12 A 12 GLU middle . . 13 A 13 LYS middle . . 14 A 14 GLY middle . false 15 A 15 PHE middle . . 16 A 16 GLY middle . false 17 A 17 PHE middle . . 18 A 18 ILE middle . . 19 A 19 ALA middle . . 20 A 20 PRO middle . false 21 A 21 ASP middle . . 22 A 22 ASP middle . . 23 A 23 GLY middle . false 24 A 24 SER middle . . 25 A 25 ALA middle . . 26 A 26 ASP middle . . 27 A 27 VAL middle . . 28 A 28 PHE middle . . 29 A 29 VAL middle . . 30 A 30 HIS middle . . 31 A 31 TYR middle . . 32 A 32 SER middle . . 33 A 33 GLU middle . . 34 A 34 ILE middle . . 35 A 35 GLN middle . . 36 A 36 GLY middle . false 37 A 37 ASN middle . . 38 A 38 GLY middle . false 39 A 39 PHE middle . . 40 A 40 ARG middle . . 41 A 41 THR middle . . 42 A 42 LEU middle . . 43 A 43 GLU middle . . 44 A 44 GLU middle . . 45 A 45 ASN middle . . 46 A 46 GLN middle . . 47 A 47 LYS middle . . 48 A 48 VAL middle . . 49 A 49 GLU middle . . 50 A 50 PHE middle . . 51 A 51 GLU middle . . 52 A 52 ILE middle . . 53 A 53 GLY middle . false 54 A 54 GLU middle . . 55 A 55 GLY middle . false 56 A 56 ALA middle . . 57 A 57 LYS middle . . 58 A 58 GLY middle . false 59 A 59 PRO middle . false 60 A 60 GLN middle . . 61 A 61 ALA middle . . 62 A 62 GLN middle . . 63 A 63 GLN middle . . 64 A 64 VAL middle . . 65 A 65 HIS middle . . 66 A 66 ALA middle . . 67 A 67 LEU middle . . 68 A 68 GLY middle . false 69 A 69 GLY middle . false 70 A 70 GLU middle . . 71 A 71 ASN middle . . 72 A 72 LEU middle . . 73 A 73 TYR middle . . 74 A 74 PHE middle . . 75 A 75 GLN middle . . 76 A 76 GLY middle . false 77 A 77 HIS middle . . 78 A 78 HIS middle . . 79 A 79 HIS middle . . 80 A 80 HIS middle . . 81 A 81 HIS middle . . 82 A 82 HIS end . . stop_ save_ save_assigned_chem_shift_list _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 2 ALA HA H 1 3.943 0.002 A 2 ALA HB% H 1 0.837 0.002 A 2 ALA C C 13 172.386 0.002 A 2 ALA CA C 13 51.580 0.002 A 2 ALA CB C 13 19.183 0.002 A 3 GLN H H 1 8.406 0.002 A 3 GLN HA H 1 5.462 0.002 A 3 GLN HBy H 1 2.114 0.002 A 3 GLN HBx H 1 2.007 0.002 A 3 GLN HE21 H 1 7.721 0.002 A 3 GLN HE22 H 1 6.743 0.002 A 3 GLN HGx H 1 2.327 0.002 A 3 GLN HGy H 1 2.418 0.002 A 3 GLN C C 13 176.232 0.002 A 3 GLN CA C 13 54.250 0.002 A 3 GLN CB C 13 31.870 0.002 A 3 GLN CD C 13 180.086 0.002 A 3 GLN CG C 13 34.460 0.002 A 3 GLN N N 15 116.430 0.010 A 3 GLN NE2 N 15 111.554 0.010 A 4 GLY H H 1 8.811 0.002 A 4 GLY HAy H 1 4.737 0.002 A 4 GLY HAx H 1 3.919 0.002 A 4 GLY C C 13 171.288 0.002 A 4 GLY CA C 13 46.345 0.002 A 4 GLY N N 15 108.203 0.010 A 5 THR H H 1 8.337 0.002 A 5 THR HA H 1 5.131 0.002 A 5 THR HB H 1 3.854 0.002 A 5 THR HG2% H 1 1.135 0.002 A 5 THR C C 13 174.238 0.002 A 5 THR CA C 13 60.764 0.002 A 5 THR CB C 13 71.542 0.002 A 5 THR CG2 C 13 21.873 0.002 A 5 THR N N 15 115.625 0.010 A 6 VAL H H 1 9.135 0.002 A 6 VAL HA H 1 3.564 0.002 A 6 VAL HB H 1 2.418 0.002 A 6 VAL HGx% H 1 0.831 0.002 A 6 VAL HGy% H 1 0.494 0.002 A 6 VAL C C 13 175.366 0.002 A 6 VAL CA C 13 64.738 0.002 A 6 VAL CB C 13 31.650 0.002 A 6 VAL CGy C 13 23.968 0.002 A 6 VAL CGx C 13 21.176 0.002 A 6 VAL N N 15 127.207 0.010 A 7 LYS H H 1 9.063 0.002 A 7 LYS HA H 1 4.384 0.002 A 7 LYS HBx H 1 1.614 0.002 A 7 LYS HBy H 1 1.872 0.002 A 7 LYS HDy H 1 1.746 0.002 A 7 LYS HDx H 1 1.615 0.002 A 7 LYS HE2 H 1 3.038 0.002 A 7 LYS HE3 H 1 3.038 0.002 A 7 LYS HGy H 1 1.614 0.002 A 7 LYS HGx H 1 1.529 0.002 A 7 LYS C C 13 176.418 0.002 A 7 LYS CA C 13 58.115 0.002 A 7 LYS CB C 13 33.889 0.002 A 7 LYS CD C 13 28.845 0.002 A 7 LYS CE C 13 41.446 0.002 A 7 LYS CG C 13 24.846 0.002 A 7 LYS N N 15 133.709 0.010 A 8 TRP H H 1 7.377 0.002 A 8 TRP HA H 1 4.604 0.002 A 8 TRP HBy H 1 3.533 0.002 A 8 TRP HBx H 1 3.359 0.002 A 8 TRP HD1 H 1 7.142 0.002 A 8 TRP HE1 H 1 10.351 0.002 A 8 TRP HE3 H 1 7.325 0.002 A 8 TRP HH2 H 1 7.333 0.002 A 8 TRP HZ2 H 1 7.652 0.002 A 8 TRP HZ3 H 1 6.746 0.002 A 8 TRP C C 13 173.549 0.002 A 8 TRP CA C 13 56.117 0.002 A 8 TRP CB C 13 30.789 0.002 A 8 TRP CD1 C 13 128.217 0.002 A 8 TRP CE3 C 13 120.234 0.002 A 8 TRP CH2 C 13 123.974 0.002 A 8 TRP CZ2 C 13 115.303 0.002 A 8 TRP CZ3 C 13 122.373 0.002 A 8 TRP N N 15 112.071 0.010 A 8 TRP NE1 N 15 129.934 0.010 A 9 PHE H H 1 9.098 0.002 A 9 PHE HA H 1 4.228 0.002 A 9 PHE HBy H 1 2.779 0.002 A 9 PHE HBx H 1 2.383 0.002 A 9 PHE HD1 H 1 6.710 0.002 A 9 PHE HD2 H 1 6.710 0.002 A 9 PHE HE1 H 1 6.956 0.002 A 9 PHE HE2 H 1 6.956 0.002 A 9 PHE HZ H 1 6.725 0.002 A 9 PHE C C 13 172.417 0.002 A 9 PHE CA C 13 59.323 0.002 A 9 PHE CB C 13 42.286 0.002 A 9 PHE CD1 C 13 131.783 0.002 A 9 PHE CD2 C 13 131.783 0.002 A 9 PHE CE1 C 13 130.627 0.002 A 9 PHE CE2 C 13 130.627 0.002 A 9 PHE CZ C 13 128.680 0.002 A 9 PHE N N 15 120.836 0.010 A 10 ASN H H 1 8.200 0.002 A 10 ASN HA H 1 4.772 0.002 A 10 ASN HBx H 1 2.460 0.002 A 10 ASN HBy H 1 2.514 0.002 A 10 ASN HD21 H 1 7.242 0.002 A 10 ASN HD22 H 1 7.527 0.002 A 10 ASN C C 13 174.121 0.002 A 10 ASN CA C 13 51.606 0.002 A 10 ASN CB C 13 39.062 0.002 A 10 ASN CG C 13 176.467 0.002 A 10 ASN N N 15 127.232 0.010 A 10 ASN ND2 N 15 112.946 0.010 A 11 ALA H H 1 8.976 0.002 A 11 ALA HA H 1 4.035 0.002 A 11 ALA HB% H 1 1.584 0.002 A 11 ALA C C 13 178.962 0.002 A 11 ALA CA C 13 54.636 0.002 A 11 ALA CB C 13 18.766 0.002 A 11 ALA N N 15 128.672 0.010 A 12 GLU H H 1 8.125 0.002 A 12 GLU HA H 1 4.038 0.002 A 12 GLU HB2 H 1 2.118 0.002 A 12 GLU HB3 H 1 2.118 0.002 A 12 GLU HGx H 1 2.213 0.002 A 12 GLU HGy H 1 2.287 0.002 A 12 GLU C C 13 178.498 0.002 A 12 GLU CA C 13 59.252 0.002 A 12 GLU CB C 13 29.363 0.002 A 12 GLU CG C 13 36.585 0.002 A 12 GLU N N 15 118.054 0.010 A 13 LYS H H 1 7.579 0.002 A 13 LYS HA H 1 4.275 0.002 A 13 LYS HBy H 1 1.904 0.002 A 13 LYS HBx H 1 1.160 0.002 A 13 LYS HDy H 1 1.770 0.002 A 13 LYS HDx H 1 1.608 0.002 A 13 LYS HEx H 1 3.000 0.002 A 13 LYS HEy H 1 3.048 0.002 A 13 LYS HGx H 1 1.403 0.002 A 13 LYS HGy H 1 1.473 0.002 A 13 LYS C C 13 177.430 0.002 A 13 LYS CA C 13 56.367 0.002 A 13 LYS CB C 13 33.805 0.002 A 13 LYS CD C 13 28.992 0.002 A 13 LYS CE C 13 42.301 0.002 A 13 LYS CG C 13 25.763 0.002 A 13 LYS N N 15 116.118 0.010 A 14 GLY H H 1 8.192 0.002 A 14 GLY HAy H 1 4.087 0.002 A 14 GLY HAx H 1 3.689 0.002 A 14 GLY C C 13 172.356 0.002 A 14 GLY CA C 13 46.356 0.002 A 14 GLY N N 15 107.881 0.010 A 15 PHE H H 1 6.660 0.002 A 15 PHE HA H 1 5.146 0.002 A 15 PHE HBy H 1 2.965 0.002 A 15 PHE HBx H 1 2.857 0.002 A 15 PHE HD1 H 1 6.962 0.002 A 15 PHE HD2 H 1 6.962 0.002 A 15 PHE HE1 H 1 7.579 0.002 A 15 PHE HE2 H 1 7.579 0.002 A 15 PHE C C 13 171.922 0.002 A 15 PHE CA C 13 55.192 0.002 A 15 PHE CB C 13 42.413 0.002 A 15 PHE CD1 C 13 132.686 0.002 A 15 PHE CD2 C 13 132.686 0.002 A 15 PHE CE1 C 13 131.423 0.002 A 15 PHE CE2 C 13 131.423 0.002 A 15 PHE N N 15 112.701 0.010 A 16 GLY H H 1 8.094 0.002 A 16 GLY HAy H 1 3.866 0.002 A 16 GLY HAx H 1 2.883 0.002 A 16 GLY C C 13 170.517 0.002 A 16 GLY CA C 13 45.262 0.002 A 16 GLY N N 15 105.694 0.010 A 17 PHE H H 1 7.673 0.002 A 17 PHE HA H 1 5.241 0.002 A 17 PHE HBy H 1 2.575 0.002 A 17 PHE HBx H 1 2.244 0.002 A 17 PHE HD1 H 1 6.790 0.002 A 17 PHE HD2 H 1 6.790 0.002 A 17 PHE HE1 H 1 7.553 0.002 A 17 PHE HE2 H 1 7.553 0.002 A 17 PHE C C 13 174.739 0.002 A 17 PHE CA C 13 56.806 0.002 A 17 PHE CB C 13 45.313 0.002 A 17 PHE CD1 C 13 131.750 0.002 A 17 PHE CD2 C 13 131.750 0.002 A 17 PHE CE1 C 13 131.484 0.002 A 17 PHE CE2 C 13 131.484 0.002 A 17 PHE N N 15 114.695 0.010 A 18 ILE H H 1 9.387 0.002 A 18 ILE HA H 1 4.167 0.002 A 18 ILE HB H 1 0.969 0.002 A 18 ILE HD1% H 1 -0.091 0.002 A 18 ILE HG1x H 1 0.340 0.002 A 18 ILE HG1y H 1 1.144 0.002 A 18 ILE HG2% H 1 0.108 0.002 A 18 ILE C C 13 173.779 0.002 A 18 ILE CA C 13 59.393 0.002 A 18 ILE CB C 13 41.984 0.002 A 18 ILE CD1 C 13 14.053 0.002 A 18 ILE CG1 C 13 27.948 0.002 A 18 ILE CG2 C 13 17.670 0.002 A 18 ILE N N 15 121.868 0.010 A 19 ALA H H 1 9.216 0.002 A 19 ALA HA H 1 5.333 0.002 A 19 ALA HB% H 1 1.431 0.002 A 19 ALA CA C 13 48.624 0.002 A 19 ALA CB C 13 19.641 0.002 A 19 ALA N N 15 131.144 0.010 A 20 PRO HA H 1 4.692 0.002 A 20 PRO HBy H 1 2.472 0.002 A 20 PRO HBx H 1 2.280 0.002 A 20 PRO HDy H 1 4.505 0.002 A 20 PRO HDx H 1 3.809 0.002 A 20 PRO HGx H 1 1.793 0.002 A 20 PRO HGy H 1 2.263 0.002 A 20 PRO C C 13 177.945 0.002 A 20 PRO CA C 13 63.477 0.002 A 20 PRO CB C 13 33.175 0.002 A 20 PRO CD C 13 52.638 0.002 A 20 PRO CG C 13 28.779 0.002 A 21 ASP H H 1 9.197 0.002 A 21 ASP HA H 1 4.485 0.002 A 21 ASP HB2 H 1 2.683 0.002 A 21 ASP HB3 H 1 2.683 0.002 A 21 ASP C C 13 176.885 0.002 A 21 ASP CA C 13 56.647 0.002 A 21 ASP CB C 13 40.153 0.002 A 21 ASP N N 15 125.232 0.010 A 22 ASP H H 1 8.041 0.002 A 22 ASP HA H 1 4.511 0.002 A 22 ASP HBy H 1 3.123 0.002 A 22 ASP HBx H 1 2.672 0.002 A 22 ASP C C 13 177.796 0.002 A 22 ASP CA C 13 53.766 0.002 A 22 ASP CB C 13 39.921 0.002 A 22 ASP N N 15 116.690 0.010 A 23 GLY H H 1 7.822 0.002 A 23 GLY HAy H 1 4.154 0.002 A 23 GLY HAx H 1 3.968 0.002 A 23 GLY C C 13 174.785 0.002 A 23 GLY CA C 13 45.888 0.002 A 23 GLY N N 15 107.454 0.010 A 24 SER H H 1 7.974 0.002 A 24 SER HA H 1 4.333 0.002 A 24 SER HBy H 1 4.162 0.002 A 24 SER HBx H 1 3.939 0.002 A 24 SER C C 13 171.788 0.002 A 24 SER CA C 13 58.585 0.002 A 24 SER CB C 13 63.336 0.002 A 24 SER N N 15 115.829 0.010 A 25 ALA H H 1 7.857 0.002 A 25 ALA HA H 1 4.099 0.002 A 25 ALA HB% H 1 1.448 0.002 A 25 ALA C C 13 176.370 0.002 A 25 ALA CA C 13 52.941 0.002 A 25 ALA CB C 13 19.506 0.002 A 25 ALA N N 15 119.692 0.010 A 26 ASP H H 1 8.018 0.002 A 26 ASP HA H 1 4.846 0.002 A 26 ASP HB2 H 1 2.426 0.002 A 26 ASP HB3 H 1 2.426 0.002 A 26 ASP C C 13 176.656 0.002 A 26 ASP CA C 13 55.247 0.002 A 26 ASP CB C 13 41.356 0.002 A 26 ASP N N 15 117.553 0.010 A 27 VAL H H 1 9.338 0.002 A 27 VAL HA H 1 4.425 0.002 A 27 VAL HB H 1 1.668 0.002 A 27 VAL HGx% H 1 0.932 0.002 A 27 VAL HGy% H 1 0.810 0.002 A 27 VAL C C 13 174.631 0.002 A 27 VAL CA C 13 60.510 0.002 A 27 VAL CB C 13 34.888 0.002 A 27 VAL CGx C 13 21.460 0.002 A 27 VAL CGy C 13 22.234 0.002 A 27 VAL N N 15 119.920 0.010 A 28 PHE H H 1 8.386 0.002 A 28 PHE HA H 1 3.760 0.002 A 28 PHE HBy H 1 3.062 0.002 A 28 PHE HBx H 1 2.755 0.002 A 28 PHE HD1 H 1 6.822 0.002 A 28 PHE HD2 H 1 6.822 0.002 A 28 PHE C C 13 172.711 0.002 A 28 PHE CA C 13 58.342 0.002 A 28 PHE CB C 13 40.440 0.002 A 28 PHE CD1 C 13 131.887 0.002 A 28 PHE CD2 C 13 131.887 0.002 A 28 PHE N N 15 129.889 0.010 A 29 VAL H H 1 7.710 0.002 A 29 VAL HA H 1 4.607 0.002 A 29 VAL HB H 1 1.442 0.002 A 29 VAL HGx% H 1 0.545 0.002 A 29 VAL HGy% H 1 0.411 0.002 A 29 VAL C C 13 170.181 0.002 A 29 VAL CA C 13 58.033 0.002 A 29 VAL CB C 13 34.391 0.002 A 29 VAL CGy C 13 22.808 0.002 A 29 VAL CGx C 13 18.006 0.002 A 29 VAL N N 15 124.229 0.010 A 30 HIS H H 1 8.966 0.002 A 30 HIS HA H 1 4.809 0.002 A 30 HIS HBy H 1 3.123 0.002 A 30 HIS HBx H 1 2.885 0.002 A 30 HIS HD2 H 1 7.313 0.002 A 30 HIS C C 13 177.054 0.002 A 30 HIS CA C 13 55.736 0.002 A 30 HIS CB C 13 34.678 0.002 A 30 HIS CD2 C 13 118.654 0.002 A 30 HIS N N 15 127.780 0.010 A 31 TYR H H 1 8.259 0.002 A 31 TYR HA H 1 4.024 0.002 A 31 TYR HBy H 1 3.118 0.002 A 31 TYR HBx H 1 2.853 0.002 A 31 TYR HD1 H 1 6.975 0.002 A 31 TYR HD2 H 1 6.975 0.002 A 31 TYR HE1 H 1 6.868 0.002 A 31 TYR HE2 H 1 6.868 0.002 A 31 TYR C C 13 176.252 0.002 A 31 TYR CA C 13 60.317 0.002 A 31 TYR CB C 13 37.084 0.002 A 31 TYR CD1 C 13 133.250 0.002 A 31 TYR CD2 C 13 133.250 0.002 A 31 TYR CE1 C 13 118.457 0.002 A 31 TYR CE2 C 13 118.457 0.002 A 31 TYR N N 15 123.112 0.010 A 32 SER H H 1 7.808 0.002 A 32 SER HA H 1 3.828 0.002 A 32 SER HBy H 1 3.930 0.002 A 32 SER HBx H 1 3.631 0.002 A 32 SER C C 13 175.749 0.002 A 32 SER CA C 13 60.606 0.002 A 32 SER CB C 13 62.596 0.002 A 32 SER N N 15 117.415 0.010 A 33 GLU H H 1 7.791 0.002 A 33 GLU HA H 1 4.458 0.002 A 33 GLU HBy H 1 2.565 0.002 A 33 GLU HBx H 1 1.871 0.002 A 33 GLU HGy H 1 2.775 0.002 A 33 GLU HGx H 1 2.300 0.002 A 33 GLU C C 13 176.311 0.002 A 33 GLU CA C 13 55.859 0.002 A 33 GLU CB C 13 30.377 0.002 A 33 GLU CG C 13 35.666 0.002 A 33 GLU N N 15 120.161 0.010 A 34 ILE H H 1 7.476 0.002 A 34 ILE HA H 1 3.984 0.002 A 34 ILE HB H 1 1.660 0.002 A 34 ILE HD1% H 1 0.331 0.002 A 34 ILE HG1x H 1 0.325 0.002 A 34 ILE HG1y H 1 1.533 0.002 A 34 ILE HG2% H 1 0.658 0.002 A 34 ILE C C 13 175.992 0.002 A 34 ILE CA C 13 62.303 0.002 A 34 ILE CB C 13 37.748 0.002 A 34 ILE CD1 C 13 14.385 0.002 A 34 ILE CG1 C 13 27.406 0.002 A 34 ILE CG2 C 13 17.203 0.002 A 34 ILE N N 15 121.476 0.010 A 35 GLN H H 1 8.789 0.002 A 35 GLN HA H 1 4.292 0.002 A 35 GLN HBx H 1 1.722 0.002 A 35 GLN HBy H 1 1.979 0.002 A 35 GLN HE21 H 1 7.219 0.002 A 35 GLN HE22 H 1 6.901 0.002 A 35 GLN HGx H 1 2.137 0.002 A 35 GLN HGy H 1 2.190 0.002 A 35 GLN C C 13 175.965 0.002 A 35 GLN CA C 13 55.728 0.002 A 35 GLN CB C 13 29.764 0.002 A 35 GLN CD C 13 179.551 0.002 A 35 GLN CG C 13 33.840 0.002 A 35 GLN N N 15 127.625 0.010 A 35 GLN NE2 N 15 112.459 0.010 A 36 GLY H H 1 8.337 0.002 A 36 GLY HAy H 1 4.227 0.002 A 36 GLY HAx H 1 3.768 0.002 A 36 GLY C C 13 173.291 0.002 A 36 GLY CA C 13 44.923 0.002 A 36 GLY N N 15 109.833 0.010 A 37 ASN H H 1 8.370 0.002 A 37 ASN HA H 1 4.820 0.002 A 37 ASN HBx H 1 2.717 0.002 A 37 ASN HBy H 1 2.796 0.002 A 37 ASN HD21 H 1 7.564 0.002 A 37 ASN HD22 H 1 6.925 0.002 A 37 ASN C C 13 175.539 0.002 A 37 ASN CA C 13 52.935 0.002 A 37 ASN CB C 13 39.636 0.002 A 37 ASN CG C 13 177.156 0.002 A 37 ASN N N 15 117.864 0.010 A 37 ASN ND2 N 15 112.974 0.010 A 38 GLY H H 1 8.422 0.002 A 38 GLY HA2 H 1 3.836 0.002 A 38 GLY HA3 H 1 3.836 0.002 A 38 GLY C C 13 173.874 0.002 A 38 GLY CA C 13 45.273 0.002 A 38 GLY N N 15 109.398 0.010 A 39 PHE H H 1 8.162 0.002 A 39 PHE HA H 1 4.496 0.002 A 39 PHE HBx H 1 2.958 0.002 A 39 PHE HBy H 1 3.019 0.002 A 39 PHE HD1 H 1 7.138 0.002 A 39 PHE HD2 H 1 7.138 0.002 A 39 PHE HE1 H 1 7.218 0.002 A 39 PHE HE2 H 1 7.218 0.002 A 39 PHE C C 13 175.728 0.002 A 39 PHE CA C 13 58.132 0.002 A 39 PHE CB C 13 38.989 0.002 A 39 PHE CD1 C 13 131.609 0.002 A 39 PHE CD2 C 13 131.609 0.002 A 39 PHE N N 15 121.234 0.010 A 40 ARG H H 1 8.141 0.002 A 40 ARG HA H 1 4.250 0.002 A 40 ARG HBx H 1 1.704 0.002 A 40 ARG HBy H 1 1.740 0.002 A 40 ARG HD2 H 1 3.067 0.002 A 40 ARG HD3 H 1 3.067 0.002 A 40 ARG HG2 H 1 1.493 0.002 A 40 ARG HG3 H 1 1.493 0.002 A 40 ARG C C 13 174.091 0.002 A 40 ARG CA C 13 55.683 0.002 A 40 ARG CB C 13 30.962 0.002 A 40 ARG CD C 13 43.541 0.002 A 40 ARG CG C 13 26.694 0.002 A 40 ARG N N 15 123.537 0.010 A 41 THR H H 1 7.564 0.002 A 41 THR HA H 1 4.038 0.002 A 41 THR HB H 1 3.878 0.002 A 41 THR HG2% H 1 1.029 0.002 A 41 THR C C 13 171.918 0.002 A 41 THR CA C 13 59.898 0.002 A 41 THR CB C 13 70.287 0.002 A 41 THR CG2 C 13 20.500 0.002 A 41 THR N N 15 112.116 0.010 A 42 LEU H H 1 6.071 0.002 A 42 LEU HA H 1 4.503 0.002 A 42 LEU HBy H 1 1.005 0.002 A 42 LEU HBx H 1 0.431 0.002 A 42 LEU HD1% H 1 0.471 0.002 A 42 LEU HD2% H 1 0.471 0.002 A 42 LEU HG H 1 0.248 0.002 A 42 LEU C C 13 174.596 0.002 A 42 LEU CA C 13 52.843 0.002 A 42 LEU CB C 13 45.291 0.002 A 42 LEU CD1 C 13 22.544 0.002 A 42 LEU CD2 C 13 22.544 0.002 A 42 LEU CG C 13 25.759 0.002 A 42 LEU N N 15 119.123 0.010 A 43 GLU H H 1 8.057 0.002 A 43 GLU HA H 1 4.566 0.002 A 43 GLU HBy H 1 1.992 0.002 A 43 GLU HBx H 1 1.713 0.002 A 43 GLU HG2 H 1 2.178 0.002 A 43 GLU HG3 H 1 2.178 0.002 A 43 GLU C C 13 175.249 0.002 A 43 GLU CA C 13 54.009 0.002 A 43 GLU CB C 13 32.785 0.002 A 43 GLU CG C 13 35.985 0.002 A 43 GLU N N 15 118.078 0.010 A 44 GLU H H 1 8.682 0.002 A 44 GLU HA H 1 3.523 0.002 A 44 GLU HBx H 1 1.995 0.002 A 44 GLU HBy H 1 2.071 0.002 A 44 GLU HGy H 1 2.494 0.002 A 44 GLU HGx H 1 2.329 0.002 A 44 GLU C C 13 176.877 0.002 A 44 GLU CA C 13 58.441 0.002 A 44 GLU CB C 13 29.752 0.002 A 44 GLU CG C 13 35.983 0.002 A 44 GLU N N 15 121.208 0.010 A 45 ASN H H 1 8.988 0.002 A 45 ASN HA H 1 4.245 0.002 A 45 ASN HBy H 1 3.228 0.002 A 45 ASN HBx H 1 3.032 0.002 A 45 ASN HD21 H 1 7.646 0.002 A 45 ASN HD22 H 1 7.041 0.002 A 45 ASN C C 13 174.159 0.002 A 45 ASN CA C 13 55.657 0.002 A 45 ASN CB C 13 37.644 0.002 A 45 ASN CG C 13 177.933 0.002 A 45 ASN N N 15 116.476 0.010 A 45 ASN ND2 N 15 114.251 0.010 A 46 GLN H H 1 7.863 0.002 A 46 GLN HA H 1 4.213 0.002 A 46 GLN HBx H 1 1.998 0.002 A 46 GLN HBy H 1 2.095 0.002 A 46 GLN HE21 H 1 7.363 0.002 A 46 GLN HE22 H 1 6.646 0.002 A 46 GLN HGx H 1 2.318 0.002 A 46 GLN HGy H 1 2.398 0.002 A 46 GLN C C 13 175.796 0.002 A 46 GLN CA C 13 56.896 0.002 A 46 GLN CB C 13 30.330 0.002 A 46 GLN CD C 13 179.330 0.002 A 46 GLN CG C 13 34.055 0.002 A 46 GLN N N 15 120.878 0.010 A 46 GLN NE2 N 15 109.878 0.010 A 47 LYS H H 1 8.843 0.002 A 47 LYS HA H 1 5.071 0.002 A 47 LYS HB2 H 1 1.852 0.002 A 47 LYS HB3 H 1 1.852 0.002 A 47 LYS HD2 H 1 1.705 0.002 A 47 LYS HD3 H 1 1.705 0.002 A 47 LYS HEx H 1 2.955 0.002 A 47 LYS HEy H 1 3.003 0.002 A 47 LYS HGy H 1 1.621 0.002 A 47 LYS HGx H 1 1.545 0.002 A 47 LYS C C 13 177.001 0.002 A 47 LYS CA C 13 55.588 0.002 A 47 LYS CB C 13 32.539 0.002 A 47 LYS CD C 13 28.557 0.002 A 47 LYS CE C 13 41.744 0.002 A 47 LYS CG C 13 24.722 0.002 A 47 LYS N N 15 125.436 0.010 A 48 VAL H H 1 8.649 0.002 A 48 VAL HA H 1 5.129 0.002 A 48 VAL HB H 1 1.974 0.002 A 48 VAL HGx% H 1 0.493 0.002 A 48 VAL HGy% H 1 0.551 0.002 A 48 VAL C C 13 173.648 0.002 A 48 VAL CA C 13 58.638 0.002 A 48 VAL CB C 13 36.768 0.002 A 48 VAL CGx C 13 18.518 0.002 A 48 VAL CGy C 13 22.918 0.002 A 48 VAL N N 15 114.955 0.010 A 49 GLU H H 1 8.721 0.002 A 49 GLU HA H 1 5.397 0.002 A 49 GLU HBy H 1 1.824 0.002 A 49 GLU HBx H 1 1.674 0.002 A 49 GLU HG2 H 1 2.316 0.002 A 49 GLU HG3 H 1 2.316 0.002 A 49 GLU C C 13 174.416 0.002 A 49 GLU CA C 13 54.130 0.002 A 49 GLU CB C 13 33.260 0.002 A 49 GLU CG C 13 36.695 0.002 A 49 GLU N N 15 121.181 0.010 A 50 PHE H H 1 8.387 0.002 A 50 PHE HA H 1 5.039 0.002 A 50 PHE HBx H 1 2.969 0.002 A 50 PHE HBy H 1 3.021 0.002 A 50 PHE HD1 H 1 6.731 0.002 A 50 PHE HD2 H 1 6.731 0.002 A 50 PHE HE1 H 1 6.808 0.002 A 50 PHE HE2 H 1 6.808 0.002 A 50 PHE C C 13 172.260 0.002 A 50 PHE CA C 13 56.207 0.002 A 50 PHE CB C 13 41.324 0.002 A 50 PHE CD1 C 13 132.242 0.002 A 50 PHE CD2 C 13 132.242 0.002 A 50 PHE CE1 C 13 130.296 0.002 A 50 PHE CE2 C 13 130.296 0.002 A 50 PHE N N 15 118.095 0.010 A 51 GLU H H 1 8.788 0.002 A 51 GLU HA H 1 4.659 0.002 A 51 GLU HBy H 1 2.058 0.002 A 51 GLU HBx H 1 1.662 0.002 A 51 GLU HGx H 1 2.218 0.002 A 51 GLU HGy H 1 2.294 0.002 A 51 GLU C C 13 175.898 0.002 A 51 GLU CA C 13 53.738 0.002 A 51 GLU CB C 13 32.402 0.002 A 51 GLU CG C 13 35.682 0.002 A 51 GLU N N 15 118.362 0.010 A 52 ILE H H 1 8.866 0.002 A 52 ILE HA H 1 4.730 0.002 A 52 ILE HB H 1 1.790 0.002 A 52 ILE HD1% H 1 0.973 0.002 A 52 ILE HG1x H 1 1.115 0.002 A 52 ILE HG1y H 1 1.650 0.002 A 52 ILE HG2% H 1 0.967 0.002 A 52 ILE C C 13 176.372 0.002 A 52 ILE CA C 13 61.249 0.002 A 52 ILE CB C 13 39.062 0.002 A 52 ILE CD1 C 13 13.350 0.002 A 52 ILE CG1 C 13 28.903 0.002 A 52 ILE CG2 C 13 18.182 0.002 A 52 ILE N N 15 122.657 0.010 A 53 GLY H H 1 8.988 0.002 A 53 GLY HAy H 1 4.576 0.002 A 53 GLY HAx H 1 3.683 0.002 A 53 GLY C C 13 172.831 0.002 A 53 GLY CA C 13 43.800 0.002 A 53 GLY N N 15 116.052 0.010 A 54 GLU H H 1 8.547 0.002 A 54 GLU HA H 1 4.449 0.002 A 54 GLU HBy H 1 1.965 0.002 A 54 GLU HBx H 1 1.873 0.002 A 54 GLU HG2 H 1 2.202 0.002 A 54 GLU HG3 H 1 2.202 0.002 A 54 GLU C C 13 176.232 0.002 A 54 GLU CA C 13 56.279 0.002 A 54 GLU CB C 13 31.093 0.002 A 54 GLU CG C 13 35.854 0.002 A 54 GLU N N 15 121.175 0.010 A 55 GLY H H 1 7.956 0.002 A 55 GLY HAy H 1 4.409 0.002 A 55 GLY HAx H 1 3.769 0.002 A 55 GLY C C 13 174.530 0.002 A 55 GLY CA C 13 44.300 0.002 A 55 GLY N N 15 112.622 0.010 A 56 ALA H H 1 8.628 0.002 A 56 ALA HA H 1 4.071 0.002 A 56 ALA HB% H 1 1.361 0.002 A 56 ALA C C 13 179.252 0.002 A 56 ALA CA C 13 54.738 0.002 A 56 ALA CB C 13 18.749 0.002 A 56 ALA N N 15 123.693 0.010 A 57 LYS H H 1 8.365 0.002 A 57 LYS HA H 1 4.414 0.002 A 57 LYS HBy H 1 1.791 0.002 A 57 LYS HBx H 1 1.369 0.002 A 57 LYS HDx H 1 1.358 0.002 A 57 LYS HDy H 1 1.420 0.002 A 57 LYS HE2 H 1 2.770 0.002 A 57 LYS HE3 H 1 2.770 0.002 A 57 LYS HG2 H 1 1.125 0.002 A 57 LYS HG3 H 1 1.125 0.002 A 57 LYS C C 13 175.920 0.002 A 57 LYS CA C 13 54.860 0.002 A 57 LYS CB C 13 32.122 0.002 A 57 LYS CD C 13 28.655 0.002 A 57 LYS CE C 13 42.002 0.002 A 57 LYS CG C 13 24.690 0.002 A 57 LYS N N 15 114.813 0.010 A 58 GLY H H 1 7.431 0.002 A 58 GLY HAy H 1 4.532 0.002 A 58 GLY HAx H 1 3.861 0.002 A 58 GLY CA C 13 44.150 0.002 A 58 GLY N N 15 108.794 0.010 A 59 PRO HA H 1 4.828 0.002 A 59 PRO HBy H 1 2.338 0.002 A 59 PRO HBx H 1 1.914 0.002 A 59 PRO HD2 H 1 3.726 0.002 A 59 PRO HD3 H 1 3.726 0.002 A 59 PRO HGy H 1 2.173 0.002 A 59 PRO HGx H 1 2.085 0.002 A 59 PRO C C 13 176.825 0.002 A 59 PRO CA C 13 63.151 0.002 A 59 PRO CB C 13 32.522 0.002 A 59 PRO CD C 13 49.837 0.002 A 59 PRO CG C 13 27.627 0.002 A 60 GLN H H 1 8.832 0.002 A 60 GLN HA H 1 5.275 0.002 A 60 GLN HB2 H 1 2.121 0.002 A 60 GLN HB3 H 1 2.121 0.002 A 60 GLN HE21 H 1 7.614 0.002 A 60 GLN HE22 H 1 6.896 0.002 A 60 GLN HG2 H 1 2.222 0.002 A 60 GLN HG3 H 1 2.222 0.002 A 60 GLN C C 13 173.441 0.002 A 60 GLN CA C 13 53.647 0.002 A 60 GLN CB C 13 32.185 0.002 A 60 GLN CD C 13 180.393 0.002 A 60 GLN CG C 13 32.171 0.002 A 60 GLN N N 15 119.574 0.010 A 60 GLN NE2 N 15 112.318 0.010 A 61 ALA H H 1 9.012 0.002 A 61 ALA HA H 1 4.765 0.002 A 61 ALA HB% H 1 0.784 0.002 A 61 ALA C C 13 176.198 0.002 A 61 ALA CA C 13 51.145 0.002 A 61 ALA CB C 13 20.141 0.002 A 61 ALA N N 15 124.760 0.010 A 62 GLN H H 1 9.294 0.002 A 62 GLN HA H 1 4.772 0.002 A 62 GLN HBx H 1 1.794 0.002 A 62 GLN HBy H 1 2.053 0.002 A 62 GLN HE21 H 1 7.317 0.002 A 62 GLN HE22 H 1 6.829 0.002 A 62 GLN HGx H 1 2.145 0.002 A 62 GLN HGy H 1 2.197 0.002 A 62 GLN C C 13 174.905 0.002 A 62 GLN CA C 13 53.610 0.002 A 62 GLN CB C 13 32.607 0.002 A 62 GLN CD C 13 179.838 0.002 A 62 GLN CG C 13 34.570 0.002 A 62 GLN N N 15 118.746 0.010 A 62 GLN NE2 N 15 110.282 0.010 A 63 GLN H H 1 9.446 0.002 A 63 GLN HA H 1 3.785 0.002 A 63 GLN HBx H 1 2.142 0.002 A 63 GLN HBy H 1 2.187 0.002 A 63 GLN HE21 H 1 7.807 0.002 A 63 GLN HE22 H 1 6.788 0.002 A 63 GLN HG2 H 1 2.347 0.002 A 63 GLN HG3 H 1 2.347 0.002 A 63 GLN C C 13 174.836 0.002 A 63 GLN CA C 13 56.480 0.002 A 63 GLN CB C 13 26.765 0.002 A 63 GLN CD C 13 180.983 0.002 A 63 GLN CG C 13 34.226 0.002 A 63 GLN N N 15 118.823 0.010 A 63 GLN NE2 N 15 113.319 0.010 A 64 VAL H H 1 8.291 0.002 A 64 VAL HA H 1 4.464 0.002 A 64 VAL HB H 1 1.798 0.002 A 64 VAL HGx% H 1 0.635 0.002 A 64 VAL HGy% H 1 0.632 0.002 A 64 VAL C C 13 175.838 0.002 A 64 VAL CA C 13 62.751 0.002 A 64 VAL CB C 13 32.167 0.002 A 64 VAL CGx C 13 21.736 0.002 A 64 VAL CGy C 13 22.349 0.002 A 64 VAL N N 15 119.141 0.010 A 65 HIS H H 1 9.099 0.002 A 65 HIS HA H 1 5.061 0.002 A 65 HIS HBx H 1 3.182 0.002 A 65 HIS HBy H 1 3.247 0.002 A 65 HIS HD2 H 1 7.235 0.002 A 65 HIS C C 13 173.450 0.002 A 65 HIS CA C 13 53.679 0.002 A 65 HIS CB C 13 31.431 0.002 A 65 HIS CD2 C 13 120.964 0.002 A 65 HIS N N 15 123.199 0.010 A 66 ALA H H 1 8.865 0.002 A 66 ALA HA H 1 4.472 0.002 A 66 ALA HB% H 1 1.341 0.002 A 66 ALA C C 13 177.454 0.002 A 66 ALA CA C 13 52.486 0.002 A 66 ALA CB C 13 19.015 0.002 A 66 ALA N N 15 125.243 0.010 A 67 LEU H H 1 8.203 0.002 A 67 LEU HA H 1 4.417 0.002 A 67 LEU HBy H 1 1.561 0.002 A 67 LEU HBx H 1 1.424 0.002 A 67 LEU HDx% H 1 0.828 0.002 A 67 LEU HDy% H 1 0.828 0.002 A 67 LEU HG H 1 1.554 0.002 A 67 LEU C C 13 177.703 0.002 A 67 LEU CA C 13 54.925 0.002 A 67 LEU CB C 13 42.713 0.002 A 67 LEU CDx C 13 23.689 0.002 A 67 LEU CDy C 13 25.308 0.002 A 67 LEU CG C 13 27.249 0.002 A 67 LEU N N 15 123.349 0.010 A 68 GLY H H 1 8.630 0.002 A 68 GLY HA2 H 1 4.005 0.002 A 68 GLY HA3 H 1 4.005 0.002 A 68 GLY C C 13 174.560 0.002 A 68 GLY CA C 13 45.301 0.002 A 68 GLY N N 15 110.678 0.010 A 69 GLY H H 1 8.318 0.002 A 69 GLY HA2 H 1 3.973 0.002 A 69 GLY HA3 H 1 3.973 0.002 A 69 GLY C C 13 174.375 0.002 A 69 GLY CA C 13 45.342 0.002 A 69 GLY N N 15 108.672 0.010 A 70 GLU H H 1 8.578 0.002 A 70 GLU HA H 1 4.227 0.002 A 70 GLU HBx H 1 1.925 0.002 A 70 GLU HBy H 1 2.020 0.002 A 70 GLU HG2 H 1 2.243 0.002 A 70 GLU HG3 H 1 2.243 0.002 A 70 GLU C C 13 176.368 0.002 A 70 GLU CA C 13 56.980 0.002 A 70 GLU CB C 13 30.149 0.002 A 70 GLU CG C 13 36.271 0.002 A 70 GLU N N 15 120.740 0.010 A 71 ASN H H 1 8.476 0.002 A 71 ASN HA H 1 4.625 0.002 A 71 ASN HBx H 1 2.705 0.002 A 71 ASN HBy H 1 2.771 0.002 A 71 ASN HD21 H 1 7.583 0.002 A 71 ASN HD22 H 1 6.918 0.002 A 71 ASN C C 13 175.133 0.002 A 71 ASN CA C 13 53.413 0.002 A 71 ASN CB C 13 38.733 0.002 A 71 ASN CG C 13 177.047 0.002 A 71 ASN N N 15 119.036 0.010 A 71 ASN ND2 N 15 113.051 0.010 A 72 LEU H H 1 8.068 0.002 A 72 LEU HA H 1 4.183 0.002 A 72 LEU HBy H 1 1.444 0.002 A 72 LEU HBx H 1 1.317 0.002 A 72 LEU HDx% H 1 0.765 0.002 A 72 LEU HDy% H 1 0.834 0.002 A 72 LEU HG H 1 1.443 0.002 A 72 LEU C C 13 177.081 0.002 A 72 LEU CA C 13 55.568 0.002 A 72 LEU CB C 13 42.200 0.002 A 72 LEU CDx C 13 23.332 0.002 A 72 LEU CDy C 13 24.957 0.002 A 72 LEU CG C 13 26.866 0.002 A 72 LEU N N 15 122.073 0.010 A 73 TYR H H 1 8.023 0.002 A 73 TYR HA H 1 4.468 0.002 A 73 TYR HBx H 1 2.822 0.002 A 73 TYR HBy H 1 2.905 0.002 A 73 TYR HD1 H 1 6.935 0.002 A 73 TYR HD2 H 1 6.935 0.002 A 73 TYR HE1 H 1 6.718 0.002 A 73 TYR HE2 H 1 6.718 0.002 A 73 TYR C C 13 175.689 0.002 A 73 TYR CA C 13 57.936 0.002 A 73 TYR CB C 13 38.597 0.002 A 73 TYR CD1 C 13 133.080 0.002 A 73 TYR CD2 C 13 133.080 0.002 A 73 TYR CE1 C 13 118.171 0.002 A 73 TYR CE2 C 13 118.171 0.002 A 73 TYR N N 15 119.652 0.010 A 74 PHE H H 1 8.021 0.002 A 74 PHE HA H 1 4.506 0.002 A 74 PHE HBx H 1 2.966 0.002 A 74 PHE HBy H 1 3.027 0.002 A 74 PHE HD1 H 1 7.148 0.002 A 74 PHE HD2 H 1 7.148 0.002 A 74 PHE HE1 H 1 7.249 0.002 A 74 PHE HE2 H 1 7.249 0.002 A 74 PHE C C 13 175.562 0.002 A 74 PHE CA C 13 57.821 0.002 A 74 PHE CB C 13 39.512 0.002 A 74 PHE CD1 C 13 131.768 0.002 A 74 PHE CD2 C 13 131.768 0.002 A 74 PHE N N 15 121.297 0.010 A 75 GLN H H 1 8.250 0.002 A 75 GLN HA H 1 4.192 0.002 A 75 GLN HBx H 1 1.867 0.002 A 75 GLN HBy H 1 2.038 0.002 A 75 GLN HE21 H 1 7.443 0.002 A 75 GLN HE22 H 1 6.841 0.002 A 75 GLN HG2 H 1 2.243 0.002 A 75 GLN HG3 H 1 2.243 0.002 A 75 GLN C C 13 176.094 0.002 A 75 GLN CA C 13 56.073 0.002 A 75 GLN CB C 13 29.241 0.002 A 75 GLN CD C 13 180.387 0.002 A 75 GLN CG C 13 33.797 0.002 A 75 GLN N N 15 121.998 0.010 A 75 GLN NE2 N 15 112.301 0.010 A 76 GLY H H 1 7.819 0.002 A 76 GLY HA2 H 1 3.747 0.002 A 76 GLY HA3 H 1 3.747 0.002 A 76 GLY CA C 13 46.134 0.002 A 76 GLY N N 15 108.658 0.010 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 save_ save_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1 _nef_nmr_spectrum.experiment_type . _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 . 1H 7267.442 . 2 . 15N 3280.033 . stop_ save_ save_peak_list_1_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2 _nef_nmr_spectrum.experiment_type . _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 . 1H 4496.958 . 2 . 13C 11160.714 . stop_ save_ save_peak_list_1_2_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3 _nef_nmr_spectrum.experiment_type . _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 . 1H 1810.481 . 2 . 13C 7500.469 . stop_ save_ save_peak_list_1_2_3_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4 _nef_nmr_spectrum.experiment_type . _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 . 1H 1810.481 . 2 . 13C 7500.469 . stop_ save_ save_peak_list_1_2_3_4_5 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 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 . 1H 12626.263 . 2 . 1H 5999.700 . 3 . 13C 8649.584 . stop_ save_ save_peak_list_1_2_3_4_5_6 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode peak_list_1_2_3_4_5_6 _nef_nmr_spectrum.experiment_type . _nef_nmr_spectrum.num_dimensions 3 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 . 1H 2997.972 . 2 . 13C 1960.016 . 3 . 15N 1822.157 . stop_ save_