data_nef_c18662_2lx7 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 SER middle . . 3 A 3 GLY middle . false 4 A 4 ALA middle . . 5 A 5 ARG middle . . 6 A 6 CYS middle . . 7 A 7 ARG middle . . 8 A 8 THR middle . . 9 A 9 LEU middle . . 10 A 10 TYR middle . . 11 A 11 PRO middle . false 12 A 12 PHE middle . . 13 A 13 SER middle . . 14 A 14 GLY middle . false 15 A 15 GLU middle . . 16 A 16 ARG middle . . 17 A 17 HIS middle . . 18 A 18 GLY middle . false 19 A 19 GLN middle . . 20 A 20 GLY middle . false 21 A 21 LEU middle . . 22 A 22 ARG middle . . 23 A 23 PHE middle . . 24 A 24 ALA middle . . 25 A 25 ALA middle . . 26 A 26 GLY middle . false 27 A 27 GLU middle . . 28 A 28 LEU middle . . 29 A 29 ILE middle . . 30 A 30 THR middle . . 31 A 31 LEU middle . . 32 A 32 LEU middle . . 33 A 33 GLN middle . . 34 A 34 VAL middle . . 35 A 35 PRO middle . false 36 A 36 ASP middle . . 37 A 37 GLY middle . false 38 A 38 GLY middle . false 39 A 39 TRP middle . . 40 A 40 TRP middle . . 41 A 41 GLU middle . . 42 A 42 GLY middle . false 43 A 43 GLU middle . . 44 A 44 LYS middle . . 45 A 45 GLU middle . . 46 A 46 ASP middle . . 47 A 47 GLY middle . false 48 A 48 LEU middle . . 49 A 49 ARG middle . . 50 A 50 GLY middle . false 51 A 51 TRP middle . . 52 A 52 PHE middle . . 53 A 53 PRO middle . false 54 A 54 ALA middle . . 55 A 55 SER middle . . 56 A 56 TYR middle . . 57 A 57 VAL middle . . 58 A 58 GLN middle . . 59 A 59 LEU middle . . 60 A 60 LEU end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 MET HA H 1 4.39 0.02 A 1 MET HBy H 1 1.98 0.02 A 1 MET HBx H 1 1.83 0.02 A 1 MET HGy H 1 2.39 0.02 A 1 MET HGx H 1 2.3 0.02 A 1 MET C C 13 175.6 0.2 A 1 MET CA C 13 55.4 0.2 A 1 MET CB C 13 33 0.2 A 1 MET CE C 13 17.1 0.2 A 1 MET CG C 13 31.9 0.2 A 2 SER H H 1 8.12 0.02 A 2 SER HA H 1 4.09 0.02 A 2 SER HBx H 1 3.8 0.02 A 2 SER HBy H 1 3.8 0.02 A 2 SER C C 13 175.2 0.2 A 2 SER CA C 13 59.4 0.2 A 2 SER CB C 13 63.3 0.2 A 2 SER N N 15 116.1 0.2 A 3 GLY H H 1 8.66 0.02 A 3 GLY HAy H 1 4.15 0.02 A 3 GLY HAx H 1 3.72 0.02 A 3 GLY C C 13 173.6 0.2 A 3 GLY CA C 13 45.3 0.2 A 3 GLY N N 15 112.9 0.2 A 4 ALA H H 1 7.95 0.02 A 4 ALA HA H 1 4.36 0.02 A 4 ALA HB% H 1 1.4 0.02 A 4 ALA C C 13 176.3 0.2 A 4 ALA CA C 13 52.4 0.2 A 4 ALA CB C 13 19.8 0.2 A 4 ALA N N 15 123.3 0.2 A 5 ARG H H 1 8.47 0.02 A 5 ARG HA H 1 5.28 0.02 A 5 ARG HBx H 1 1.77 0.02 A 5 ARG HBy H 1 1.77 0.02 A 5 ARG HDx H 1 3.14 0.02 A 5 ARG HDy H 1 3.14 0.02 A 5 ARG HGy H 1 1.76 0.02 A 5 ARG HGx H 1 1.7 0.02 A 5 ARG C C 13 175.8 0.2 A 5 ARG CA C 13 54.7 0.2 A 5 ARG CB C 13 33.6 0.2 A 5 ARG CD C 13 43.9 0.2 A 5 ARG CG C 13 27.7 0.2 A 5 ARG N N 15 119.1 0.2 A 6 CYS H H 1 9.15 0.02 A 6 CYS HA H 1 5.38 0.02 A 6 CYS HBy H 1 2.89 0.02 A 6 CYS HBx H 1 2.51 0.02 A 6 CYS C C 13 170.6 0.2 A 6 CYS CA C 13 55.9 0.2 A 6 CYS CB C 13 33.1 0.2 A 6 CYS N N 15 115.9 0.2 A 7 ARG H H 1 8.79 0.02 A 7 ARG HA H 1 5.47 0.02 A 7 ARG HBy H 1 1.61 0.02 A 7 ARG HBx H 1 1.53 0.02 A 7 ARG HDx H 1 3.09 0.02 A 7 ARG HDy H 1 3.09 0.02 A 7 ARG HGy H 1 1.5 0.02 A 7 ARG HGx H 1 1.31 0.02 A 7 ARG C C 13 176.5 0.2 A 7 ARG CA C 13 53 0.2 A 7 ARG CB C 13 33.9 0.2 A 7 ARG CD C 13 43.2 0.2 A 7 ARG CG C 13 27.4 0.2 A 7 ARG N N 15 119.6 0.2 A 8 THR H H 1 9.14 0.02 A 8 THR HA H 1 4.29 0.02 A 8 THR HB H 1 4.16 0.02 A 8 THR HG1 H 1 6.06 0.02 A 8 THR HG2% H 1 -0.19 0.02 A 8 THR C C 13 176.5 0.2 A 8 THR CA C 13 61.3 0.2 A 8 THR CB C 13 70 0.2 A 8 THR CG2 C 13 22 0.2 A 8 THR N N 15 116.9 0.2 A 9 LEU H H 1 9.34 0.02 A 9 LEU HA H 1 4.09 0.02 A 9 LEU HBy H 1 0.87 0.02 A 9 LEU HBx H 1 0.53 0.02 A 9 LEU HDx% H 1 0.66 0.02 A 9 LEU HDy% H 1 0.63 0.02 A 9 LEU HG H 1 1.24 0.02 A 9 LEU C C 13 175.7 0.2 A 9 LEU CA C 13 55.5 0.2 A 9 LEU CB C 13 43.9 0.2 A 9 LEU CDy C 13 25.4 0.2 A 9 LEU CDx C 13 22.1 0.2 A 9 LEU CG C 13 26.8 0.2 A 9 LEU N N 15 124.1 0.2 A 10 TYR H H 1 7.21 0.02 A 10 TYR HA H 1 5.05 0.02 A 10 TYR HBy H 1 3.23 0.02 A 10 TYR HBx H 1 2.14 0.02 A 10 TYR HDx H 1 6.64 0.02 A 10 TYR HDy H 1 6.64 0.02 A 10 TYR HEx H 1 6.69 0.02 A 10 TYR HEy H 1 6.69 0.02 A 10 TYR CA C 13 53 0.2 A 10 TYR CB C 13 40.7 0.2 A 10 TYR CDx C 13 133.9 0.2 A 10 TYR CDy C 13 133.9 0.2 A 10 TYR CEx C 13 117.7 0.2 A 10 TYR CEy C 13 117.7 0.2 A 10 TYR N N 15 115.2 0.2 A 11 PRO HA H 1 4.78 0.02 A 11 PRO HBy H 1 2.49 0.02 A 11 PRO HBx H 1 2.12 0.02 A 11 PRO HDy H 1 3.93 0.02 A 11 PRO HDx H 1 3.85 0.02 A 11 PRO HGy H 1 2.25 0.02 A 11 PRO HGx H 1 2.21 0.02 A 11 PRO C C 13 175.7 0.2 A 11 PRO CA C 13 62.4 0.2 A 11 PRO CB C 13 32.7 0.2 A 11 PRO CD C 13 50.1 0.2 A 11 PRO CG C 13 27.5 0.2 A 12 PHE H H 1 8.59 0.02 A 12 PHE HA H 1 5.12 0.02 A 12 PHE HBy H 1 2.87 0.02 A 12 PHE HBx H 1 1.54 0.02 A 12 PHE HDx H 1 7.5 0.02 A 12 PHE HDy H 1 7.5 0.02 A 12 PHE HEx H 1 7.71 0.02 A 12 PHE HEy H 1 7.71 0.02 A 12 PHE HZ H 1 7.61 0.02 A 12 PHE C C 13 174.9 0.2 A 12 PHE CA C 13 56.6 0.2 A 12 PHE CB C 13 43.3 0.2 A 12 PHE CDx C 13 133.2 0.2 A 12 PHE CDy C 13 133.2 0.2 A 12 PHE CEx C 13 131.8 0.2 A 12 PHE CEy C 13 131.8 0.2 A 12 PHE CZ C 13 130 0.2 A 12 PHE N N 15 119.8 0.2 A 13 SER H H 1 8.41 0.02 A 13 SER HA H 1 4.23 0.02 A 13 SER HBy H 1 3.9 0.02 A 13 SER HBx H 1 3.79 0.02 A 13 SER CA C 13 58.4 0.2 A 13 SER CB C 13 64 0.2 A 13 SER N N 15 121.6 0.2 A 14 GLY H H 1 5.12 0.02 A 14 GLY HAy H 1 3.78 0.02 A 14 GLY HAx H 1 3.23 0.02 A 14 GLY C C 13 172.8 0.2 A 14 GLY CA C 13 45.7 0.2 A 14 GLY N N 15 106.8 0.2 A 15 GLU H H 1 7.63 0.02 A 15 GLU HA H 1 4.19 0.02 A 15 GLU HBy H 1 2.03 0.02 A 15 GLU HBx H 1 1.89 0.02 A 15 GLU HGx H 1 2.2 0.02 A 15 GLU HGy H 1 2.2 0.02 A 15 GLU C C 13 176 0.2 A 15 GLU CA C 13 57.3 0.2 A 15 GLU CB C 13 30.4 0.2 A 15 GLU CG C 13 36.3 0.2 A 15 GLU N N 15 118.5 0.2 A 16 ARG H H 1 8.05 0.02 A 16 ARG HA H 1 3.99 0.02 A 16 ARG HBx H 1 2.02 0.02 A 16 ARG HBy H 1 2.02 0.02 A 16 ARG HDx H 1 3.1 0.02 A 16 ARG HDy H 1 3.1 0.02 A 16 ARG HE H 1 7.15 0.02 A 16 ARG HGx H 1 1.51 0.02 A 16 ARG HGy H 1 1.51 0.02 A 16 ARG C C 13 174.5 0.2 A 16 ARG CA C 13 57 0.2 A 16 ARG CB C 13 29.6 0.2 A 16 ARG CD C 13 43.1 0.2 A 16 ARG CG C 13 27.8 0.2 A 16 ARG N N 15 115.3 0.2 A 16 ARG NE N 15 83.1 0.2 A 17 HIS H H 1 7.97 0.02 A 17 HIS HA H 1 4.09 0.02 A 17 HIS HBy H 1 2.57 0.02 A 17 HIS HBx H 1 2.39 0.02 A 17 HIS HD2 H 1 7.01 0.02 A 17 HIS HE1 H 1 7.91 0.02 A 17 HIS C C 13 175.5 0.2 A 17 HIS CA C 13 56.8 0.2 A 17 HIS CB C 13 32.3 0.2 A 17 HIS CD2 C 13 119.6 0.2 A 17 HIS CE1 C 13 138.5 0.2 A 17 HIS N N 15 119.6 0.2 A 17 HIS ND1 N 15 214.4 0.2 A 17 HIS NE2 N 15 176.9 0.2 A 18 GLY H H 1 8.34 0.02 A 18 GLY HAx H 1 3.85 0.02 A 18 GLY HAy H 1 3.85 0.02 A 18 GLY CA C 13 46.5 0.2 A 18 GLY N N 15 113.1 0.2 A 19 GLN HA H 1 4.77 0.02 A 19 GLN HBx H 1 2.72 0.02 A 19 GLN HBy H 1 2.72 0.02 A 19 GLN HE2y H 1 7.58 0.02 A 19 GLN HE2x H 1 6.91 0.02 A 19 GLN HGy H 1 2.57 0.02 A 19 GLN HGx H 1 2.46 0.02 A 19 GLN C C 13 176.1 0.2 A 19 GLN CA C 13 55 0.2 A 19 GLN CB C 13 29.7 0.2 A 19 GLN CG C 13 34.6 0.2 A 19 GLN NE2 N 15 112.2 0.2 A 20 GLY H H 1 8.24 0.02 A 20 GLY HAy H 1 4.79 0.02 A 20 GLY HAx H 1 4.16 0.02 A 20 GLY C C 13 173.7 0.2 A 20 GLY CA C 13 45.5 0.2 A 20 GLY N N 15 108.2 0.2 A 21 LEU H H 1 9.28 0.02 A 21 LEU HA H 1 4.59 0.02 A 21 LEU HBy H 1 2.13 0.02 A 21 LEU HBx H 1 1.13 0.02 A 21 LEU HDx% H 1 0.91 0.02 A 21 LEU HDy% H 1 0.9 0.02 A 21 LEU HG H 1 1.65 0.02 A 21 LEU C C 13 172.5 0.2 A 21 LEU CA C 13 53.5 0.2 A 21 LEU CB C 13 45 0.2 A 21 LEU CDx C 13 23.4 0.2 A 21 LEU CDy C 13 25.8 0.2 A 21 LEU CG C 13 27.1 0.2 A 21 LEU N N 15 128.1 0.2 A 22 ARG H H 1 7.62 0.02 A 22 ARG HA H 1 4.46 0.02 A 22 ARG HBx H 1 1.65 0.02 A 22 ARG HBy H 1 1.65 0.02 A 22 ARG HDx H 1 3.15 0.02 A 22 ARG HDy H 1 3.15 0.02 A 22 ARG HGy H 1 1.63 0.02 A 22 ARG HGx H 1 1.41 0.02 A 22 ARG C C 13 176.7 0.2 A 22 ARG CA C 13 54.8 0.2 A 22 ARG CB C 13 31.7 0.2 A 22 ARG CD C 13 43.7 0.2 A 22 ARG CG C 13 27.3 0.2 A 22 ARG N N 15 121.9 0.2 A 23 PHE H H 1 8.61 0.02 A 23 PHE HA H 1 4.84 0.02 A 23 PHE HBy H 1 3.45 0.02 A 23 PHE HBx H 1 3 0.02 A 23 PHE HDx H 1 6.99 0.02 A 23 PHE HDy H 1 6.99 0.02 A 23 PHE HEx H 1 7.06 0.02 A 23 PHE HEy H 1 7.06 0.02 A 23 PHE HZ H 1 7.5 0.02 A 23 PHE C C 13 175.3 0.2 A 23 PHE CA C 13 55.8 0.2 A 23 PHE CB C 13 40.6 0.2 A 23 PHE CDx C 13 130.5 0.2 A 23 PHE CDy C 13 130.5 0.2 A 23 PHE CEx C 13 128.3 0.2 A 23 PHE CEy C 13 128.3 0.2 A 23 PHE CZ C 13 131.8 0.2 A 23 PHE N N 15 117.2 0.2 A 24 ALA H H 1 9.38 0.02 A 24 ALA HA H 1 4.73 0.02 A 24 ALA HB% H 1 1.54 0.02 A 24 ALA C C 13 178.1 0.2 A 24 ALA CA C 13 50.3 0.2 A 24 ALA CB C 13 20.6 0.2 A 24 ALA N N 15 125.2 0.2 A 25 ALA H H 1 8.65 0.02 A 25 ALA HA H 1 3.78 0.02 A 25 ALA HB% H 1 1.14 0.02 A 25 ALA C C 13 177.8 0.2 A 25 ALA CA C 13 53.6 0.2 A 25 ALA CB C 13 19.1 0.2 A 25 ALA N N 15 121.9 0.2 A 26 GLY H H 1 8.42 0.02 A 26 GLY HAy H 1 4.15 0.02 A 26 GLY HAx H 1 3.5 0.02 A 26 GLY C C 13 174.6 0.2 A 26 GLY CA C 13 45.7 0.2 A 26 GLY N N 15 111.6 0.2 A 27 GLU H H 1 8.07 0.02 A 27 GLU HA H 1 4.42 0.02 A 27 GLU HBy H 1 2.02 0.02 A 27 GLU HBx H 1 1.72 0.02 A 27 GLU HGy H 1 2.26 0.02 A 27 GLU HGx H 1 2.05 0.02 A 27 GLU C C 13 174.9 0.2 A 27 GLU CA C 13 56.9 0.2 A 27 GLU CB C 13 31.6 0.2 A 27 GLU CG C 13 37.9 0.2 A 27 GLU N N 15 120.7 0.2 A 28 LEU H H 1 8.55 0.02 A 28 LEU HA H 1 5.14 0.02 A 28 LEU HBy H 1 1.68 0.02 A 28 LEU HBx H 1 1.4 0.02 A 28 LEU HDx% H 1 0.87 0.02 A 28 LEU HDy% H 1 0.78 0.02 A 28 LEU HG H 1 1.61 0.02 A 28 LEU C C 13 176.5 0.2 A 28 LEU CA C 13 54 0.2 A 28 LEU CB C 13 43.3 0.2 A 28 LEU CDy C 13 25.2 0.2 A 28 LEU CDx C 13 24.3 0.2 A 28 LEU CG C 13 27.5 0.2 A 28 LEU N N 15 121.8 0.2 A 29 ILE H H 1 8.75 0.02 A 29 ILE HA H 1 4.41 0.02 A 29 ILE HB H 1 1.46 0.02 A 29 ILE HD1% H 1 -0.17 0.02 A 29 ILE HG1y H 1 0.74 0.02 A 29 ILE HG1x H 1 0.57 0.02 A 29 ILE HG2% H 1 0.51 0.02 A 29 ILE C C 13 175.4 0.2 A 29 ILE CA C 13 59.1 0.2 A 29 ILE CB C 13 41.8 0.2 A 29 ILE CD1 C 13 13.3 0.2 A 29 ILE CG1 C 13 27.8 0.2 A 29 ILE CG2 C 13 17.6 0.2 A 29 ILE N N 15 123.5 0.2 A 30 THR H H 1 8.81 0.02 A 30 THR HA H 1 4.65 0.02 A 30 THR HB H 1 4.01 0.02 A 30 THR HG2% H 1 1.1 0.02 A 30 THR C C 13 174.4 0.2 A 30 THR CA C 13 62.4 0.2 A 30 THR CB C 13 69.6 0.2 A 30 THR CG2 C 13 21.5 0.2 A 30 THR N N 15 123.2 0.2 A 31 LEU H H 1 8.96 0.02 A 31 LEU HA H 1 4.28 0.02 A 31 LEU HBy H 1 1.82 0.02 A 31 LEU HBx H 1 0.91 0.02 A 31 LEU HDx% H 1 0.56 0.02 A 31 LEU HDy% H 1 1.02 0.02 A 31 LEU HG H 1 1.59 0.02 A 31 LEU C C 13 176.1 0.2 A 31 LEU CA C 13 56 0.2 A 31 LEU CB C 13 41.8 0.2 A 31 LEU CDy C 13 25.5 0.2 A 31 LEU CDx C 13 25 0.2 A 31 LEU CG C 13 27.6 0.2 A 31 LEU N N 15 127.4 0.2 A 32 LEU H H 1 9.19 0.02 A 32 LEU HA H 1 4.46 0.02 A 32 LEU HBy H 1 1.35 0.02 A 32 LEU HBx H 1 1.23 0.02 A 32 LEU HDx% H 1 0.65 0.02 A 32 LEU HDy% H 1 0.74 0.02 A 32 LEU HG H 1 1.44 0.02 A 32 LEU C C 13 177.4 0.2 A 32 LEU CA C 13 55.4 0.2 A 32 LEU CB C 13 43.6 0.2 A 32 LEU CDy C 13 25.3 0.2 A 32 LEU CDx C 13 22.3 0.2 A 32 LEU CG C 13 27.1 0.2 A 32 LEU N N 15 122.9 0.2 A 33 GLN H H 1 7.52 0.02 A 33 GLN HA H 1 4.55 0.02 A 33 GLN HBy H 1 2.17 0.02 A 33 GLN HBx H 1 1.78 0.02 A 33 GLN HE2y H 1 8.16 0.02 A 33 GLN HE2x H 1 7.13 0.02 A 33 GLN HGy H 1 2.3 0.02 A 33 GLN HGx H 1 2.23 0.02 A 33 GLN C C 13 173.8 0.2 A 33 GLN CA C 13 56.5 0.2 A 33 GLN CB C 13 33 0.2 A 33 GLN CG C 13 34.4 0.2 A 33 GLN N N 15 114.9 0.2 A 33 GLN NE2 N 15 115.6 0.2 A 34 VAL H H 1 8.55 0.02 A 34 VAL HA H 1 4.17 0.02 A 34 VAL HB H 1 1.34 0.02 A 34 VAL HGx% H 1 -0.38 0.02 A 34 VAL HGy% H 1 0.49 0.02 A 34 VAL CA C 13 57.8 0.2 A 34 VAL CB C 13 31.7 0.2 A 34 VAL CGy C 13 22 0.2 A 34 VAL CGx C 13 19.4 0.2 A 34 VAL N N 15 115.7 0.2 A 35 PRO HA H 1 4.73 0.02 A 35 PRO HBx H 1 2.46 0.02 A 35 PRO HBy H 1 2.46 0.02 A 35 PRO HDy H 1 4.08 0.02 A 35 PRO HDx H 1 3.64 0.02 A 35 PRO HGy H 1 2.61 0.02 A 35 PRO HGx H 1 2.35 0.02 A 35 PRO C C 13 176.7 0.2 A 35 PRO CA C 13 63.2 0.2 A 35 PRO CB C 13 32.3 0.2 A 35 PRO CD C 13 50.2 0.2 A 35 PRO CG C 13 27.4 0.2 A 36 ASP H H 1 8.39 0.02 A 36 ASP HA H 1 4.83 0.02 A 36 ASP HBy H 1 2.82 0.02 A 36 ASP HBx H 1 2.72 0.02 A 36 ASP C C 13 177.7 0.2 A 36 ASP CA C 13 55.3 0.2 A 36 ASP CB C 13 41.2 0.2 A 36 ASP N N 15 117.6 0.2 A 37 GLY H H 1 8.79 0.02 A 37 GLY HAy H 1 4.59 0.02 A 37 GLY HAx H 1 3.89 0.02 A 37 GLY C C 13 175.8 0.2 A 37 GLY CA C 13 45.5 0.2 A 37 GLY N N 15 109.7 0.2 A 38 GLY H H 1 9.25 0.02 A 38 GLY HAy H 1 4.14 0.02 A 38 GLY HAx H 1 3.5 0.02 A 38 GLY C C 13 174 0.2 A 38 GLY CA C 13 45.6 0.2 A 38 GLY N N 15 108.8 0.2 A 39 TRP H H 1 8.27 0.02 A 39 TRP HA H 1 4.97 0.02 A 39 TRP HBy H 1 3.17 0.02 A 39 TRP HBx H 1 2.97 0.02 A 39 TRP HD1 H 1 7.14 0.02 A 39 TRP HE1 H 1 10.15 0.02 A 39 TRP HE3 H 1 7.24 0.02 A 39 TRP HH2 H 1 7.27 0.02 A 39 TRP HZ2 H 1 7.49 0.02 A 39 TRP HZ3 H 1 6.81 0.02 A 39 TRP C C 13 174.4 0.2 A 39 TRP CA C 13 56.7 0.2 A 39 TRP CB C 13 31.3 0.2 A 39 TRP CD1 C 13 127.1 0.2 A 39 TRP CE3 C 13 120.5 0.2 A 39 TRP CH2 C 13 124.2 0.2 A 39 TRP CZ2 C 13 114.7 0.2 A 39 TRP CZ3 C 13 120.8 0.2 A 39 TRP N N 15 122.2 0.2 A 39 TRP NE1 N 15 129.9 0.2 A 40 TRP H H 1 8.84 0.02 A 40 TRP HA H 1 5.26 0.02 A 40 TRP HBy H 1 2.95 0.02 A 40 TRP HBx H 1 2.35 0.02 A 40 TRP HD1 H 1 7.42 0.02 A 40 TRP HE1 H 1 9.41 0.02 A 40 TRP HE3 H 1 7.38 0.02 A 40 TRP HH2 H 1 7.07 0.02 A 40 TRP HZ2 H 1 7.31 0.02 A 40 TRP HZ3 H 1 6.83 0.02 A 40 TRP C C 13 172.1 0.2 A 40 TRP CA C 13 52.8 0.2 A 40 TRP CB C 13 34.3 0.2 A 40 TRP CD1 C 13 123.7 0.2 A 40 TRP CE3 C 13 120.9 0.2 A 40 TRP CH2 C 13 124.2 0.2 A 40 TRP CZ2 C 13 114.1 0.2 A 40 TRP CZ3 C 13 121.6 0.2 A 40 TRP N N 15 124.6 0.2 A 40 TRP NE1 N 15 127.3 0.2 A 41 GLU H H 1 8.01 0.02 A 41 GLU HA H 1 4.31 0.02 A 41 GLU HBy H 1 1.33 0.02 A 41 GLU HBx H 1 -0.98 0.02 A 41 GLU HGy H 1 1.57 0.02 A 41 GLU HGx H 1 0.73 0.02 A 41 GLU C C 13 176.9 0.2 A 41 GLU CA C 13 53.2 0.2 A 41 GLU CB C 13 32 0.2 A 41 GLU CG C 13 35.9 0.2 A 41 GLU N N 15 120.3 0.2 A 42 GLY H H 1 9.13 0.02 A 42 GLY HAy H 1 4.99 0.02 A 42 GLY HAx H 1 3.73 0.02 A 42 GLY C C 13 169.2 0.2 A 42 GLY CA C 13 45.6 0.2 A 42 GLY N N 15 113.8 0.2 A 43 GLU H H 1 8.99 0.02 A 43 GLU HA H 1 5.54 0.02 A 43 GLU HBx H 1 1.92 0.02 A 43 GLU HBy H 1 1.92 0.02 A 43 GLU HGy H 1 2.41 0.02 A 43 GLU HGx H 1 2.03 0.02 A 43 GLU C C 13 176.2 0.2 A 43 GLU CA C 13 54 0.2 A 43 GLU CB C 13 35 0.2 A 43 GLU CG C 13 36.3 0.2 A 43 GLU N N 15 117.6 0.2 A 44 LYS H H 1 9.14 0.02 A 44 LYS HA H 1 4.78 0.02 A 44 LYS HBx H 1 2.31 0.02 A 44 LYS HBy H 1 2.31 0.02 A 44 LYS HDy H 1 2.05 0.02 A 44 LYS HDx H 1 1.87 0.02 A 44 LYS HEy H 1 3.19 0.02 A 44 LYS HEx H 1 3.12 0.02 A 44 LYS HGy H 1 1.79 0.02 A 44 LYS HGx H 1 1.39 0.02 A 44 LYS C C 13 178.4 0.2 A 44 LYS CA C 13 56.1 0.2 A 44 LYS CB C 13 34.1 0.2 A 44 LYS CD C 13 29.6 0.2 A 44 LYS CE C 13 42 0.2 A 44 LYS CG C 13 26.6 0.2 A 44 LYS N N 15 124.7 0.2 A 45 GLU H H 1 9.37 0.02 A 45 GLU HA H 1 4.07 0.02 A 45 GLU HBx H 1 2.15 0.02 A 45 GLU HBy H 1 2.15 0.02 A 45 GLU HGy H 1 2.49 0.02 A 45 GLU HGx H 1 2.31 0.02 A 45 GLU C C 13 176.8 0.2 A 45 GLU CA C 13 59.5 0.2 A 45 GLU CB C 13 29.9 0.2 A 45 GLU CG C 13 37.3 0.2 A 45 GLU N N 15 121.7 0.2 A 46 ASP H H 1 7.82 0.02 A 46 ASP HA H 1 4.51 0.02 A 46 ASP HBy H 1 3.08 0.02 A 46 ASP HBx H 1 2.63 0.02 A 46 ASP C C 13 177.3 0.2 A 46 ASP CA C 13 53.5 0.2 A 46 ASP CB C 13 40.2 0.2 A 46 ASP N N 15 115.4 0.2 A 47 GLY H H 1 8.06 0.02 A 47 GLY HAy H 1 4.34 0.02 A 47 GLY HAx H 1 3.7 0.02 A 47 GLY C C 13 174.7 0.2 A 47 GLY CA C 13 45 0.2 A 47 GLY N N 15 108.1 0.2 A 48 LEU H H 1 7.9 0.02 A 48 LEU HA H 1 4.31 0.02 A 48 LEU HBy H 1 1.84 0.02 A 48 LEU HBx H 1 1.54 0.02 A 48 LEU HDx% H 1 1.04 0.02 A 48 LEU HDy% H 1 1 0.02 A 48 LEU HG H 1 1.71 0.02 A 48 LEU C C 13 175.7 0.2 A 48 LEU CA C 13 56.5 0.2 A 48 LEU CB C 13 41.9 0.2 A 48 LEU CDy C 13 24.9 0.2 A 48 LEU CDx C 13 24 0.2 A 48 LEU CG C 13 27.5 0.2 A 48 LEU N N 15 123.7 0.2 A 49 ARG H H 1 8.34 0.02 A 49 ARG HA H 1 5.77 0.02 A 49 ARG HBx H 1 1.8 0.02 A 49 ARG HBy H 1 1.8 0.02 A 49 ARG HDy H 1 3.14 0.02 A 49 ARG HDx H 1 3.06 0.02 A 49 ARG HGy H 1 1.73 0.02 A 49 ARG HGx H 1 1.58 0.02 A 49 ARG C C 13 176.3 0.2 A 49 ARG CA C 13 54.3 0.2 A 49 ARG CB C 13 35.1 0.2 A 49 ARG CD C 13 44.2 0.2 A 49 ARG CG C 13 26.8 0.2 A 49 ARG N N 15 120.7 0.2 A 50 GLY H H 1 8.71 0.02 A 50 GLY HAy H 1 4.51 0.02 A 50 GLY HAx H 1 4.39 0.02 A 50 GLY C C 13 171.2 0.2 A 50 GLY CA C 13 46.1 0.2 A 50 GLY N N 15 109.2 0.2 A 51 TRP H H 1 9.02 0.02 A 51 TRP HA H 1 5.77 0.02 A 51 TRP HBx H 1 2.85 0.02 A 51 TRP HBy H 1 2.85 0.02 A 51 TRP HD1 H 1 7.51 0.02 A 51 TRP HE1 H 1 10.03 0.02 A 51 TRP HE3 H 1 7.15 0.02 A 51 TRP HH2 H 1 6.98 0.02 A 51 TRP HZ2 H 1 7.37 0.02 A 51 TRP HZ3 H 1 7.07 0.02 A 51 TRP C C 13 177.2 0.2 A 51 TRP CA C 13 56.7 0.2 A 51 TRP CB C 13 31.3 0.2 A 51 TRP CD1 C 13 128.0 0.2 A 51 TRP CE3 C 13 119.8 0.2 A 51 TRP CH2 C 13 123.7 0.2 A 51 TRP CZ2 C 13 115.2 0.2 A 51 TRP CZ3 C 13 121.2 0.2 A 51 TRP N N 15 120.6 0.2 A 51 TRP NE1 N 15 130 0.2 A 52 PHE H H 1 9.07 0.02 A 52 PHE HA H 1 4.95 0.02 A 52 PHE HBy H 1 3.34 0.02 A 52 PHE HBx H 1 2.64 0.02 A 52 PHE HDx H 1 7.06 0.02 A 52 PHE HDy H 1 7.06 0.02 A 52 PHE HEx H 1 7.06 0.02 A 52 PHE HEy H 1 7.06 0.02 A 52 PHE HZ H 1 6.74 0.02 A 52 PHE CA C 13 55.6 0.2 A 52 PHE CB C 13 38.8 0.2 A 52 PHE CDx C 13 133.7 0.2 A 52 PHE CDy C 13 133.7 0.2 A 52 PHE CEx C 13 130.5 0.2 A 52 PHE CEy C 13 130.5 0.2 A 52 PHE CZ C 13 128.3 0.2 A 52 PHE N N 15 116.8 0.2 A 53 PRO HA H 1 3.66 0.02 A 53 PRO HBy H 1 1.3 0.02 A 53 PRO HBx H 1 1.14 0.02 A 53 PRO HDy H 1 1.92 0.02 A 53 PRO HDx H 1 1.83 0.02 A 53 PRO HGy H 1 0.33 0.02 A 53 PRO HGx H 1 0.21 0.02 A 53 PRO C C 13 177.7 0.2 A 53 PRO CA C 13 61.2 0.2 A 53 PRO CB C 13 30.7 0.2 A 53 PRO CD C 13 49.9 0.2 A 53 PRO CG C 13 27.2 0.2 A 54 ALA H H 1 7.69 0.02 A 54 ALA HA H 1 2.87 0.02 A 54 ALA HB% H 1 -0.4 0.02 A 54 ALA C C 13 178.2 0.2 A 54 ALA CA C 13 54.8 0.2 A 54 ALA CB C 13 16 0.2 A 54 ALA N N 15 129.5 0.2 A 55 SER H H 1 7.75 0.02 A 55 SER HA H 1 4.18 0.02 A 55 SER HBy H 1 4.12 0.02 A 55 SER HBx H 1 3.79 0.02 A 55 SER C C 13 175.5 0.2 A 55 SER CA C 13 59.4 0.2 A 55 SER CB C 13 63.3 0.2 A 55 SER N N 15 107.1 0.2 A 56 TYR H H 1 8.2 0.02 A 56 TYR HA H 1 4.8 0.02 A 56 TYR HBy H 1 3.65 0.02 A 56 TYR HBx H 1 3.57 0.02 A 56 TYR HDx H 1 7.27 0.02 A 56 TYR HDy H 1 7.27 0.02 A 56 TYR HEx H 1 6.97 0.02 A 56 TYR HEy H 1 6.97 0.02 A 56 TYR C C 13 175.1 0.2 A 56 TYR CA C 13 58.5 0.2 A 56 TYR CB C 13 37.5 0.2 A 56 TYR CDx C 13 131.7 0.2 A 56 TYR CDy C 13 131.7 0.2 A 56 TYR CEx C 13 118.6 0.2 A 56 TYR CEy C 13 118.6 0.2 A 56 TYR N N 15 121.4 0.2 A 57 VAL H H 1 7.47 0.02 A 57 VAL HA H 1 5.19 0.02 A 57 VAL HB H 1 1.7 0.02 A 57 VAL HGx% H 1 0.48 0.02 A 57 VAL HGy% H 1 1.21 0.02 A 57 VAL C C 13 173.3 0.2 A 57 VAL CA C 13 58.7 0.2 A 57 VAL CB C 13 36.4 0.2 A 57 VAL CGy C 13 22.4 0.2 A 57 VAL CGx C 13 18.4 0.2 A 57 VAL N N 15 109.3 0.2 A 58 GLN H H 1 8.77 0.02 A 58 GLN HA H 1 4.81 0.02 A 58 GLN HBx H 1 1.95 0.02 A 58 GLN HBy H 1 1.95 0.02 A 58 GLN HE2y H 1 7.64 0.02 A 58 GLN HE2x H 1 6.86 0.02 A 58 GLN HGy H 1 2.35 0.02 A 58 GLN HGx H 1 2.3 0.02 A 58 GLN C C 13 175.4 0.2 A 58 GLN CA C 13 53.6 0.2 A 58 GLN CB C 13 32.6 0.2 A 58 GLN CG C 13 33.6 0.2 A 58 GLN N N 15 119.7 0.2 A 58 GLN NE2 N 15 112.3 0.2 A 59 LEU H H 1 9 0.02 A 59 LEU HA H 1 4.3 0.02 A 59 LEU HBy H 1 1.84 0.02 A 59 LEU HBx H 1 1.76 0.02 A 59 LEU HDx% H 1 1 0.02 A 59 LEU HDy% H 1 0.9 0.02 A 59 LEU HG H 1 1.9 0.02 A 59 LEU C C 13 176.6 0.2 A 59 LEU CA C 13 56.7 0.2 A 59 LEU CB C 13 41.9 0.2 A 59 LEU CDy C 13 25.4 0.2 A 59 LEU CDx C 13 24.3 0.2 A 59 LEU CG C 13 27.9 0.2 A 59 LEU N N 15 128.9 0.2 A 60 LEU H H 1 8 0.02 A 60 LEU HA H 1 4.21 0.02 A 60 LEU HBy H 1 1.56 0.02 A 60 LEU HBx H 1 1.45 0.02 A 60 LEU HDx% H 1 0.76 0.02 A 60 LEU HDy% H 1 0.79 0.02 A 60 LEU HG H 1 1.51 0.02 A 60 LEU CA C 13 56.7 0.2 A 60 LEU CB C 13 42.9 0.2 A 60 LEU CDy C 13 25.9 0.2 A 60 LEU CDx C 13 23.1 0.2 A 60 LEU CG C 13 27.9 0.2 A 60 LEU N N 15 129.1 0.2 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 2 SER H A 3 GLY H 1.0 1.8 6.0 2 2 A 3 GLY H A 4 ALA H 1.0 1.8 5.0 3 3 A 4 ALA H A 31 LEU HBy 1.0 1.8 6.0 4 4 A 4 ALA H A 4 ALA HB% 1.0 1.8 3.5 5 5 A 4 ALA H A 5 ARG HBx 1.0 1.8 6.0 6 5 A 4 ALA H A 5 ARG HBy 1.0 1.8 6.0 7 6 A 4 ALA HA A 5 ARG H 1.0 1.8 3.5 8 7 A 4 ALA HB% A 30 THR HA 1.0 1.8 6.0 9 8 A 4 ALA HB% A 31 LEU HDx% 1.0 1.8 5.0 10 9 A 5 ARG H A 5 ARG HBx 1.0 1.8 3.5 11 9 A 5 ARG HBy A 5 ARG H 1.0 1.8 3.5 12 10 A 5 ARG H A 5 ARG HGy 1.0 1.8 5.0 13 10 A 5 ARG H A 5 ARG HGx 1.0 1.8 5.0 14 11 A 30 THR HA A 5 ARG HA 1.0 1.8 5.0 15 12 A 5 ARG HA A 30 THR HG2% 1.0 1.8 5.0 16 13 A 5 ARG HA A 31 LEU H 1.0 1.8 5.0 17 14 A 5 ARG HA A 6 CYS H 1.0 1.8 3.5 18 15 A 30 THR HA A 5 ARG HBx 1.0 1.8 5.0 19 15 A 5 ARG HBy A 30 THR HA 1.0 1.8 5.0 20 16 A 60 LEU HDx% A 5 ARG HBx 1.0 1.8 5.0 21 16 A 5 ARG HBy A 60 LEU HDx% 1.0 1.8 5.0 22 17 A 28 LEU HDx% A 5 ARG HDx 1.0 1.8 5.0 23 17 A 5 ARG HDy A 28 LEU HDx% 1.0 1.8 5.0 24 18 A 28 LEU HDy% A 5 ARG HDx 1.0 1.8 5.0 25 18 A 5 ARG HDy A 28 LEU HDy% 1.0 1.8 5.0 26 19 A 60 LEU HDx% A 5 ARG HDx 1.0 1.8 6.0 27 19 A 60 LEU HDx% A 5 ARG HDy 1.0 1.8 6.0 28 20 A 60 LEU HDy% A 5 ARG HDx 1.0 1.8 5.0 29 20 A 5 ARG HDy A 60 LEU HDy% 1.0 1.8 5.0 30 21 A 30 THR HA A 5 ARG HGy 1.0 1.8 5.0 31 21 A 30 THR HA A 5 ARG HGx 1.0 1.8 5.0 32 22 A 60 LEU HDx% A 5 ARG HGy 1.0 1.8 5.0 33 22 A 5 ARG HGx A 60 LEU HDx% 1.0 1.8 5.0 34 23 A 6 CYS H A 5 ARG HGy 1.0 1.8 5.0 35 23 A 5 ARG HGx A 6 CYS H 1.0 1.8 5.0 36 24 A 6 CYS H A 28 LEU HA 1.0 1.8 6.0 37 25 A 6 CYS H A 29 ILE H 1.0 1.8 5.0 38 26 A 6 CYS H A 29 ILE HB 1.0 1.8 5.0 39 27 A 30 THR HA A 6 CYS H 1.0 1.8 5.0 40 28 A 6 CYS H A 60 LEU HDx% 1.0 1.8 5.0 41 29 A 6 CYS HA A 59 LEU HA 1.0 1.8 5.0 42 30 A 6 CYS HA A 60 LEU H 1.0 1.8 3.5 43 31 A 6 CYS HA A 60 LEU HG 1.0 1.8 5.0 44 32 A 60 LEU HDx% A 6 CYS HA 1.0 1.8 5.0 45 33 A 60 LEU HDy% A 6 CYS HA 1.0 1.8 6.0 46 34 A 6 CYS HA A 7 ARG H 1.0 1.8 3.5 47 35 A 57 VAL HB A 6 CYS HBy 1.0 1.8 5.0 48 36 A 57 VAL HGy% A 6 CYS HBy 1.0 1.8 5.0 49 37 A 59 LEU HA A 6 CYS HBy 1.0 1.8 5.0 50 38 A 59 LEU HDy% A 6 CYS HBy 1.0 1.8 5.0 51 39 A 60 LEU H A 6 CYS HBy 1.0 1.8 6.0 52 40 A 7 ARG H A 6 CYS HBy 1.0 1.8 5.0 53 41 A 57 VAL HB A 6 CYS HBx 1.0 1.8 5.0 54 42 A 57 VAL HGy% A 6 CYS HBx 1.0 1.8 5.0 55 43 A 59 LEU HA A 6 CYS HBx 1.0 1.8 5.0 56 44 A 59 LEU HDy% A 6 CYS HBx 1.0 1.8 5.0 57 45 A 60 LEU H A 6 CYS HBx 1.0 1.8 6.0 58 46 A 7 ARG H A 6 CYS HBx 1.0 1.8 5.0 59 47 A 29 ILE HB A 6 CYS HBx 1.0 1.8 5.0 60 47 A 29 ILE HB A 6 CYS HBy 1.0 1.8 5.0 61 48 A 29 ILE HG2% A 6 CYS HBx 1.0 1.8 5.0 62 48 A 6 CYS HBy A 29 ILE HG2% 1.0 1.8 5.0 63 49 A 57 VAL HB A 6 CYS HBx 1.0 1.8 5.0 64 49 A 57 VAL HB A 6 CYS HBy 1.0 1.8 5.0 65 50 A 57 VAL HGy% A 6 CYS HBx 1.0 1.8 5.0 66 50 A 57 VAL HGy% A 6 CYS HBy 1.0 1.8 5.0 67 51 A 59 LEU HA A 6 CYS HBx 1.0 1.8 5.0 68 51 A 59 LEU HA A 6 CYS HBy 1.0 1.8 5.0 69 52 A 59 LEU HDy% A 6 CYS HBx 1.0 1.8 5.0 70 52 A 59 LEU HDy% A 6 CYS HBy 1.0 1.8 5.0 71 53 A 60 LEU H A 6 CYS HBx 1.0 1.8 5.0 72 53 A 60 LEU H A 6 CYS HBy 1.0 1.8 5.0 73 54 A 7 ARG H A 6 CYS HBx 1.0 1.8 3.5 74 54 A 7 ARG H A 6 CYS HBy 1.0 1.8 3.5 75 55 A 59 LEU HA A 7 ARG H 1.0 1.8 6.0 76 56 A 60 LEU H A 7 ARG H 1.0 1.8 5.0 77 57 A 60 LEU HG A 7 ARG H 1.0 1.8 5.0 78 58 A 60 LEU HDx% A 7 ARG H 1.0 1.8 5.0 79 59 A 60 LEU HDy% A 7 ARG H 1.0 1.8 5.0 80 60 A 28 LEU HA A 7 ARG HA 1.0 1.8 5.0 81 61 A 28 LEU HDy% A 7 ARG HA 1.0 1.8 5.0 82 62 A 29 ILE H A 7 ARG HA 1.0 1.8 5.0 83 63 A 60 LEU HDx% A 7 ARG HA 1.0 1.8 6.0 84 64 A 60 LEU HDy% A 7 ARG HA 1.0 1.8 6.0 85 65 A 7 ARG HA A 8 THR H 1.0 1.8 3.5 86 66 A 60 LEU HDy% A 7 ARG HBy 1.0 1.8 5.0 87 67 A 60 LEU HDy% A 7 ARG HBx 1.0 1.8 5.0 88 68 A 8 THR H A 7 ARG HGy 1.0 1.8 5.0 89 69 A 8 THR H A 7 ARG HGx 1.0 1.8 5.0 90 70 A 7 ARG HBy A 58 GLN HBx 1.0 1.8 5.0 91 70 A 7 ARG HBx A 58 GLN HBx 1.0 1.8 5.0 92 70 A 58 GLN HBy A 7 ARG HBx 1.0 1.8 5.0 93 70 A 7 ARG HBy A 58 GLN HBy 1.0 1.8 5.0 94 71 A 60 LEU HDy% A 7 ARG HBx 1.0 1.8 5.0 95 71 A 60 LEU HDy% A 7 ARG HBy 1.0 1.8 5.0 96 72 A 60 LEU HDy% A 7 ARG HDx 1.0 1.8 5.0 97 72 A 60 LEU HDy% A 7 ARG HDy 1.0 1.8 5.0 98 73 A 8 THR H A 7 ARG HGx 1.0 1.8 5.0 99 73 A 8 THR H A 7 ARG HGy 1.0 1.8 5.0 100 74 A 8 THR H A 26 GLY H 1.0 1.8 5.0 101 75 A 8 THR H A 27 GLU H 1.0 1.8 5.0 102 76 A 8 THR H A 27 GLU HBx 1.0 1.8 6.0 103 76 A 8 THR H A 27 GLU HBy 1.0 1.8 6.0 104 77 A 28 LEU HA A 8 THR H 1.0 1.8 5.0 105 78 A 57 VAL HB A 8 THR H 1.0 1.8 6.0 106 79 A 8 THR H A 8 THR HG1 1.0 1.8 5.0 107 80 A 8 THR H A 8 THR HG2% 1.0 1.8 3.5 108 81 A 8 THR HA A 10 TYR H 1.0 1.8 5.0 109 82 A 8 THR HA A 57 VAL HA 1.0 1.8 5.0 110 83 A 57 VAL HB A 8 THR HA 1.0 1.8 5.0 111 84 A 8 THR HA A 57 VAL HGx% 1.0 1.8 5.0 112 85 A 8 THR HA A 58 GLN H 1.0 1.8 6.0 113 86 A 8 THR HA A 9 LEU H 1.0 1.8 3.5 114 87 A 8 THR HA A 9 LEU HG 1.0 1.8 5.0 115 88 A 10 TYR H A 8 THR HB 1.0 1.8 5.0 116 89 A 8 THR HB A 25 ALA HA 1.0 1.8 5.0 117 90 A 9 LEU H A 8 THR HB 1.0 1.8 5.0 118 91 A 8 THR HG1 A 25 ALA HA 1.0 1.8 5.0 119 92 A 26 GLY H A 8 THR HG1 1.0 1.8 5.0 120 93 A 27 GLU H A 8 THR HG1 1.0 1.8 3.5 121 94 A 27 GLU H A 8 THR HG2% 1.0 1.8 5.0 122 95 A 8 THR HG2% A 27 GLU HBx 1.0 1.8 5.0 123 95 A 27 GLU HBy A 8 THR HG2% 1.0 1.8 5.0 124 96 A 8 THR HG2% A 29 ILE HG1y 1.0 1.8 5.0 125 96 A 8 THR HG2% A 29 ILE HG1x 1.0 1.8 5.0 126 97 A 8 THR HG2% A 57 VAL HGx% 1.0 1.8 3.5 127 98 A 8 THR HG2% A 9 LEU H 1.0 1.8 5.0 128 99 A 10 TYR H A 9 LEU H 1.0 1.8 3.5 129 100 A 57 VAL HA A 9 LEU H 1.0 1.8 5.0 130 101 A 57 VAL HGx% A 9 LEU H 1.0 1.8 5.0 131 102 A 9 LEU H A 9 LEU HG 1.0 1.8 5.0 132 103 A 9 LEU H A 9 LEU HBx 1.0 1.8 3.5 133 103 A 9 LEU H A 9 LEU HBy 1.0 1.8 3.5 134 104 A 9 LEU H A 9 LEU HDx% 1.0 1.8 5.0 135 105 A 9 LEU H A 9 LEU HDy% 1.0 1.8 5.0 136 106 A 9 LEU HDy% A 9 LEU HA 1.0 1.8 5.0 137 107 A 10 TYR H A 9 LEU HBy 1.0 1.8 5.0 138 108 A 10 TYR H A 9 LEU HBx 1.0 1.8 5.0 139 109 A 57 VAL HA A 9 LEU HG 1.0 1.8 5.0 140 110 A 58 GLN H A 9 LEU HG 1.0 1.8 5.0 141 111 A 9 LEU HDx% A 56 TYR HA 1.0 1.8 5.0 142 112 A 9 LEU HDx% A 57 VAL H 1.0 1.8 5.0 143 113 A 57 VAL HA A 9 LEU HDx% 1.0 1.8 5.0 144 114 A 58 GLN H A 9 LEU HDx% 1.0 1.8 5.0 145 115 A 9 LEU HDx% A 58 GLN HA 1.0 1.8 6.0 146 116 A 9 LEU HDx% A 58 GLN HBx 1.0 1.8 5.0 147 116 A 58 GLN HBy A 9 LEU HDx% 1.0 1.8 5.0 148 117 A 58 GLN H A 9 LEU HDy% 1.0 1.8 6.0 149 118 A 9 LEU HDy% A 58 GLN HBx 1.0 1.8 5.0 150 118 A 58 GLN HBy A 9 LEU HDy% 1.0 1.8 5.0 151 119 A 10 TYR H A 25 ALA HA 1.0 1.8 5.0 152 120 A 10 TYR H A 25 ALA HB% 1.0 1.8 5.0 153 121 A 10 TYR HA A 10 TYR HD% 1.0 1.8 5.0 154 122 A 10 TYR HA A 11 PRO HDy 1.0 1.8 3.5 155 123 A 10 TYR HA A 11 PRO HDx 1.0 1.8 3.5 156 124 A 10 TYR HA A 11 PRO HDy 1.0 1.8 3.5 157 124 A 10 TYR HA A 11 PRO HDx 1.0 1.8 3.5 158 125 A 25 ALA HB% A 10 TYR HA 1.0 1.8 5.0 159 126 A 10 TYR HBx A 11 PRO HDy 1.0 1.8 5.0 160 126 A 10 TYR HBy A 11 PRO HDy 1.0 1.8 5.0 161 126 A 11 PRO HDx A 10 TYR HBy 1.0 1.8 5.0 162 126 A 11 PRO HDx A 10 TYR HBx 1.0 1.8 5.0 163 127 A 11 PRO HA A 12 PHE H 1.0 1.8 3.5 164 128 A 12 PHE H A 11 PRO HBy 1.0 1.8 5.0 165 129 A 12 PHE H A 11 PRO HBx 1.0 1.8 5.0 166 130 A 25 ALA H A 11 PRO HBy 1.0 1.8 5.0 167 130 A 11 PRO HBx A 25 ALA H 1.0 1.8 5.0 168 131 A 25 ALA HB% A 11 PRO HDy 1.0 1.8 3.5 169 131 A 25 ALA HB% A 11 PRO HDx 1.0 1.8 3.5 170 132 A 25 ALA H A 11 PRO HGy 1.0 1.8 6.0 171 132 A 25 ALA H A 11 PRO HGx 1.0 1.8 6.0 172 133 A 12 PHE HA A 12 PHE HD% 1.0 1.8 5.0 173 134 A 56 TYR HD% A 12 PHE HBy 1.0 1.8 5.0 174 134 A 12 PHE HBx A 56 TYR HD% 1.0 1.8 5.0 175 135 A 14 GLY H A 15 GLU H 1.0 1.8 5.0 176 136 A 15 GLU H A 15 GLU HBy 1.0 1.8 3.5 177 136 A 15 GLU H A 15 GLU HBx 1.0 1.8 3.5 178 137 A 15 GLU H A 15 GLU HGx 1.0 1.8 5.0 179 137 A 15 GLU H A 15 GLU HGy 1.0 1.8 5.0 180 138 A 19 GLN HA A 19 GLN HE2y 1.0 1.8 6.0 181 139 A 19 GLN HA A 19 GLN HE2x 1.0 1.8 6.0 182 140 A 19 GLN HA A 20 GLY H 1.0 1.8 3.5 183 141 A 21 LEU H A 21 LEU HBy 1.0 1.8 3.5 184 141 A 21 LEU H A 21 LEU HBx 1.0 1.8 3.5 185 142 A 21 LEU H A 51 TRP H 1.0 1.8 6.0 186 143 A 21 LEU HA A 21 LEU HDx% 1.0 1.8 3.5 187 144 A 21 LEU HA A 22 ARG H 1.0 1.8 3.5 188 145 A 22 ARG H A 21 LEU HG 1.0 1.8 3.5 189 146 A 21 LEU HBy A 50 GLY HAy 1.0 1.8 5.0 190 146 A 50 GLY HAx A 21 LEU HBy 1.0 1.8 5.0 191 146 A 21 LEU HBx A 50 GLY HAx 1.0 1.8 5.0 192 146 A 21 LEU HBx A 50 GLY HAy 1.0 1.8 5.0 193 147 A 51 TRP H A 21 LEU HBy 1.0 1.8 5.0 194 147 A 21 LEU HBx A 51 TRP H 1.0 1.8 5.0 195 148 A 52 PHE HD% A 21 LEU HBy 1.0 1.8 5.0 196 148 A 21 LEU HBx A 52 PHE HD% 1.0 1.8 5.0 197 149 A 52 PHE HE% A 21 LEU HBy 1.0 1.8 5.0 198 149 A 21 LEU HBx A 52 PHE HE% 1.0 1.8 5.0 199 150 A 21 LEU HDx% A 22 ARG H 1.0 1.8 3.5 200 151 A 21 LEU HDx% A 44 LYS H 1.0 1.8 5.0 201 152 A 21 LEU HDx% A 44 LYS HEy 1.0 1.8 5.0 202 152 A 21 LEU HDx% A 44 LYS HEx 1.0 1.8 5.0 203 153 A 21 LEU HDx% A 44 LYS HGy 1.0 1.8 3.5 204 153 A 21 LEU HDx% A 44 LYS HGx 1.0 1.8 3.5 205 154 A 21 LEU HDx% A 48 LEU HBx 1.0 1.8 5.0 206 155 A 21 LEU HDx% A 49 ARG HA 1.0 1.8 5.0 207 156 A 21 LEU HDx% A 50 GLY H 1.0 1.8 5.0 208 157 A 21 LEU HDx% A 50 GLY HAy 1.0 1.8 5.0 209 157 A 21 LEU HDx% A 50 GLY HAx 1.0 1.8 5.0 210 158 A 49 ARG HA A 21 LEU HDy% 1.0 1.8 5.0 211 159 A 50 GLY H A 21 LEU HDy% 1.0 1.8 5.0 212 160 A 21 LEU HDy% A 50 GLY HAy 1.0 1.8 6.0 213 160 A 50 GLY HAx A 21 LEU HDy% 1.0 1.8 6.0 214 161 A 21 LEU HDy% A 51 TRP HA 1.0 1.8 6.0 215 162 A 52 PHE HD% A 21 LEU HDy% 1.0 1.8 5.0 216 163 A 52 PHE HE% A 21 LEU HDy% 1.0 1.8 5.0 217 164 A 22 ARG H A 22 ARG HGx 1.0 1.8 5.0 218 164 A 22 ARG H A 22 ARG HGy 1.0 1.8 5.0 219 165 A 22 ARG HA A 23 PHE H 1.0 1.8 3.5 220 166 A 22 ARG HGy A 23 PHE H 1.0 1.8 5.0 221 167 A 23 PHE H A 22 ARG HGx 1.0 1.8 5.0 222 168 A 22 ARG HBy A 22 ARG HDx 1.0 1.8 3.5 223 168 A 22 ARG HDy A 22 ARG HBx 1.0 1.8 3.5 224 168 A 22 ARG HBy A 22 ARG HDy 1.0 1.8 3.5 225 168 A 22 ARG HBx A 22 ARG HDx 1.0 1.8 3.5 226 169 A 23 PHE HA A 24 ALA H 1.0 1.8 3.5 227 170 A 24 ALA H A 23 PHE HBy 1.0 1.8 3.5 228 170 A 24 ALA H A 23 PHE HBx 1.0 1.8 3.5 229 171 A 52 PHE HD% A 23 PHE HD% 1.0 1.8 5.0 230 172 A 57 VAL HGx% A 23 PHE HD% 1.0 1.8 5.0 231 173 A 57 VAL HGx% A 23 PHE HE% 1.0 1.8 5.0 232 174 A 24 ALA H A 24 ALA HB% 1.0 1.8 3.5 233 175 A 24 ALA H A 27 GLU HGy 1.0 1.8 5.0 234 176 A 24 ALA H A 27 GLU HGx 1.0 1.8 5.0 235 177 A 24 ALA H A 27 GLU HGx 1.0 1.8 5.0 236 177 A 24 ALA H A 27 GLU HGy 1.0 1.8 5.0 237 178 A 25 ALA H A 24 ALA HA 1.0 1.8 3.5 238 179 A 25 ALA H A 24 ALA HB% 1.0 1.8 3.5 239 180 A 24 ALA HB% A 27 GLU HGy 1.0 1.8 5.0 240 181 A 24 ALA HB% A 27 GLU HGx 1.0 1.8 5.0 241 182 A 24 ALA HB% A 27 GLU HGx 1.0 1.8 5.0 242 182 A 24 ALA HB% A 27 GLU HGy 1.0 1.8 5.0 243 183 A 25 ALA HB% A 25 ALA H 1.0 1.8 3.5 244 184 A 25 ALA H A 27 GLU HGx 1.0 1.8 6.0 245 184 A 25 ALA H A 27 GLU HGy 1.0 1.8 6.0 246 185 A 26 GLY H A 25 ALA HA 1.0 1.8 3.5 247 186 A 27 GLU H A 25 ALA HA 1.0 1.8 5.0 248 187 A 26 GLY H A 27 GLU H 1.0 1.8 3.5 249 188 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.5 250 188 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.5 251 189 A 27 GLU H A 27 GLU HGx 1.0 1.8 5.0 252 189 A 27 GLU H A 27 GLU HGy 1.0 1.8 5.0 253 190 A 27 GLU HA A 28 LEU H 1.0 1.8 3.5 254 191 A 27 GLU HBy A 28 LEU H 1.0 1.8 5.0 255 192 A 27 GLU HBy A 29 ILE HD1% 1.0 1.8 6.0 256 193 A 28 LEU H A 27 GLU HBx 1.0 1.8 5.0 257 194 A 29 ILE HD1% A 27 GLU HBx 1.0 1.8 6.0 258 195 A 28 LEU H A 27 GLU HBx 1.0 1.8 3.5 259 195 A 27 GLU HBy A 28 LEU H 1.0 1.8 3.5 260 196 A 29 ILE HD1% A 27 GLU HBx 1.0 1.8 5.0 261 196 A 27 GLU HBy A 29 ILE HD1% 1.0 1.8 5.0 262 197 A 28 LEU H A 28 LEU HG 1.0 1.8 5.0 263 198 A 28 LEU H A 28 LEU HBy 1.0 1.8 3.5 264 198 A 28 LEU H A 28 LEU HBx 1.0 1.8 3.5 265 199 A 28 LEU HDx% A 28 LEU H 1.0 1.8 5.0 266 200 A 28 LEU HDy% A 28 LEU H 1.0 1.8 5.0 267 201 A 28 LEU H A 29 ILE HD1% 1.0 1.8 5.0 268 202 A 28 LEU HDx% A 28 LEU HA 1.0 1.8 5.0 269 203 A 28 LEU HDy% A 28 LEU HA 1.0 1.8 5.0 270 204 A 28 LEU HA A 29 ILE H 1.0 1.8 3.5 271 205 A 28 LEU HG A 28 LEU HBy 1.0 1.8 2.7 272 205 A 28 LEU HG A 28 LEU HBx 1.0 1.8 2.7 273 206 A 28 LEU HDx% A 28 LEU HBy 1.0 1.8 3.5 274 206 A 28 LEU HDx% A 28 LEU HBx 1.0 1.8 3.5 275 207 A 28 LEU HDy% A 29 ILE H 1.0 1.8 6.0 276 208 A 29 ILE H A 29 ILE HD1% 1.0 1.8 5.0 277 209 A 29 ILE H A 29 ILE HG1y 1.0 1.8 5.0 278 209 A 29 ILE H A 29 ILE HG1x 1.0 1.8 5.0 279 210 A 29 ILE HD1% A 29 ILE HA 1.0 1.8 5.0 280 211 A 29 ILE HA A 30 THR H 1.0 1.8 3.5 281 212 A 29 ILE HB A 30 THR H 1.0 1.8 5.0 282 213 A 57 VAL HGx% A 29 ILE HG1y 1.0 1.8 5.0 283 213 A 57 VAL HGx% A 29 ILE HG1x 1.0 1.8 5.0 284 214 A 29 ILE HG2% A 29 ILE HD1% 1.0 1.8 3.5 285 215 A 29 ILE HG2% A 30 THR H 1.0 1.8 5.0 286 216 A 31 LEU H A 29 ILE HG2% 1.0 1.8 5.0 287 217 A 29 ILE HG2% A 31 LEU HA 1.0 1.8 5.0 288 218 A 29 ILE HG2% A 42 GLY HAy 1.0 1.8 5.0 289 219 A 29 ILE HG2% A 42 GLY HAx 1.0 1.8 5.0 290 220 A 29 ILE HG2% A 43 GLU H 1.0 1.8 5.0 291 221 A 30 THR HG2% A 30 THR H 1.0 1.8 5.0 292 222 A 31 LEU H A 30 THR H 1.0 1.8 5.0 293 223 A 30 THR H A 43 GLU H 1.0 1.8 5.0 294 224 A 30 THR HA A 31 LEU H 1.0 1.8 3.5 295 225 A 31 LEU H A 30 THR HB 1.0 1.8 6.0 296 226 A 30 THR HB A 32 LEU HDy% 1.0 1.8 5.0 297 227 A 43 GLU H A 30 THR HB 1.0 1.8 5.0 298 228 A 30 THR HB A 43 GLU HBx 1.0 1.8 5.0 299 228 A 30 THR HB A 43 GLU HBy 1.0 1.8 5.0 300 229 A 30 THR HG2% A 31 LEU H 1.0 1.8 5.0 301 230 A 31 LEU H A 31 LEU HG 1.0 1.8 3.5 302 231 A 31 LEU HDx% A 31 LEU H 1.0 1.8 6.0 303 232 A 31 LEU HDx% A 31 LEU HA 1.0 1.8 5.0 304 233 A 31 LEU HA A 31 LEU HDy% 1.0 1.8 5.0 305 234 A 31 LEU HA A 32 LEU H 1.0 1.8 3.5 306 235 A 31 LEU HA A 42 GLY HAy 1.0 1.8 5.0 307 236 A 31 LEU HA A 42 GLY HAx 1.0 1.8 5.0 308 237 A 31 LEU HBx A 34 VAL HGx% 1.0 1.8 5.0 309 238 A 31 LEU HDx% A 34 VAL HGx% 1.0 1.8 5.0 310 239 A 31 LEU HDy% A 32 LEU H 1.0 1.8 5.0 311 240 A 31 LEU HDy% A 34 VAL HGx% 1.0 1.8 5.0 312 241 A 31 LEU HDy% A 40 TRP HE3 1.0 1.8 5.0 313 242 A 31 LEU HDy% A 40 TRP HBy 1.0 1.8 5.0 314 242 A 31 LEU HDy% A 40 TRP HBx 1.0 1.8 5.0 315 243 A 31 LEU HDy% A 54 ALA HB% 1.0 1.8 6.0 316 244 A 32 LEU H A 32 LEU HG 1.0 1.8 5.0 317 245 A 32 LEU H A 33 GLN H 1.0 1.8 3.5 318 246 A 42 GLY HAy A 32 LEU H 1.0 1.8 5.0 319 247 A 32 LEU HDy% A 32 LEU HA 1.0 1.8 3.5 320 248 A 33 GLN H A 32 LEU HBy 1.0 1.8 5.0 321 249 A 33 GLN H A 32 LEU HBx 1.0 1.8 5.0 322 250 A 42 GLY HAy A 32 LEU HG 1.0 1.8 5.0 323 251 A 42 GLY HAx A 32 LEU HG 1.0 1.8 5.0 324 252 A 43 GLU H A 32 LEU HG 1.0 1.8 5.0 325 253 A 33 GLN H A 32 LEU HBx 1.0 1.8 3.5 326 253 A 33 GLN H A 32 LEU HBy 1.0 1.8 3.5 327 254 A 32 LEU HBy A 33 GLN HGx 1.0 1.8 5.0 328 254 A 32 LEU HBx A 33 GLN HGx 1.0 1.8 5.0 329 254 A 33 GLN HGy A 32 LEU HBx 1.0 1.8 5.0 330 254 A 32 LEU HBy A 33 GLN HGy 1.0 1.8 5.0 331 255 A 42 GLY HAy A 32 LEU HBx 1.0 1.8 5.0 332 255 A 42 GLY HAy A 32 LEU HBy 1.0 1.8 5.0 333 256 A 32 LEU HDx% A 42 GLY H 1.0 1.8 5.0 334 257 A 42 GLY HAy A 32 LEU HDx% 1.0 1.8 5.0 335 258 A 43 GLU H A 32 LEU HDx% 1.0 1.8 5.0 336 259 A 32 LEU HDx% A 43 GLU HBx 1.0 1.8 5.0 337 259 A 43 GLU HBy A 32 LEU HDx% 1.0 1.8 5.0 338 260 A 32 LEU HDx% A 49 ARG HDy 1.0 1.8 5.0 339 261 A 32 LEU HDx% A 49 ARG HDx 1.0 1.8 5.0 340 262 A 32 LEU HDx% A 49 ARG HBx 1.0 1.8 5.0 341 262 A 32 LEU HDx% A 49 ARG HBy 1.0 1.8 5.0 342 263 A 43 GLU H A 32 LEU HDy% 1.0 1.8 5.0 343 264 A 32 LEU HDy% A 43 GLU HBx 1.0 1.8 5.0 344 264 A 32 LEU HDy% A 43 GLU HBy 1.0 1.8 5.0 345 265 A 32 LEU HDy% A 43 GLU HGx 1.0 1.8 5.0 346 265 A 32 LEU HDy% A 43 GLU HGy 1.0 1.8 5.0 347 266 A 33 GLN H A 33 GLN HGy 1.0 1.8 5.0 348 267 A 33 GLN H A 33 GLN HGx 1.0 1.8 5.0 349 268 A 33 GLN H A 41 GLU H 1.0 1.8 5.0 350 269 A 33 GLN HA A 34 VAL H 1.0 1.8 3.5 351 270 A 34 VAL H A 33 GLN HBy 1.0 1.8 5.0 352 271 A 34 VAL H A 33 GLN HBx 1.0 1.8 5.0 353 272 A 33 GLN HBx A 35 PRO HDy 1.0 1.8 5.0 354 272 A 33 GLN HBy A 35 PRO HDy 1.0 1.8 5.0 355 272 A 35 PRO HDx A 33 GLN HBy 1.0 1.8 5.0 356 272 A 33 GLN HBx A 35 PRO HDx 1.0 1.8 5.0 357 273 A 33 GLN HE2y A 33 GLN HGx 1.0 1.8 3.5 358 273 A 33 GLN HE2x A 33 GLN HGx 1.0 1.8 3.5 359 273 A 33 GLN HGy A 33 GLN HE2x 1.0 1.8 3.5 360 273 A 33 GLN HGy A 33 GLN HE2y 1.0 1.8 3.5 361 274 A 34 VAL HGx% A 34 VAL H 1.0 1.8 5.0 362 275 A 34 VAL H A 34 VAL HGy% 1.0 1.8 3.5 363 276 A 34 VAL H A 35 PRO HDy 1.0 1.8 5.0 364 276 A 34 VAL H A 35 PRO HDx 1.0 1.8 5.0 365 277 A 34 VAL HA A 35 PRO HDy 1.0 1.8 3.5 366 277 A 35 PRO HDx A 34 VAL HA 1.0 1.8 3.5 367 278 A 34 VAL HA A 40 TRP HD1 1.0 1.8 5.0 368 279 A 34 VAL HA A 40 TRP HE1 1.0 1.8 5.0 369 280 A 40 TRP HE1 A 34 VAL HB 1.0 1.8 5.0 370 281 A 34 VAL HGx% A 40 TRP HD1 1.0 1.8 5.0 371 282 A 34 VAL HGx% A 40 TRP HE1 1.0 1.8 5.0 372 283 A 35 PRO HA A 36 ASP H 1.0 1.8 3.5 373 284 A 40 TRP HA A 35 PRO HDy 1.0 1.8 5.0 374 284 A 35 PRO HDx A 40 TRP HA 1.0 1.8 5.0 375 285 A 40 TRP HD1 A 35 PRO HDy 1.0 1.8 5.0 376 285 A 35 PRO HDx A 40 TRP HD1 1.0 1.8 5.0 377 286 A 40 TRP HE1 A 35 PRO HDy 1.0 1.8 5.0 378 286 A 35 PRO HDx A 40 TRP HE1 1.0 1.8 5.0 379 287 A 36 ASP H A 35 PRO HGy 1.0 1.8 5.0 380 287 A 36 ASP H A 35 PRO HGx 1.0 1.8 5.0 381 288 A 36 ASP H A 36 ASP HBy 1.0 1.8 3.5 382 288 A 36 ASP H A 36 ASP HBx 1.0 1.8 3.5 383 289 A 38 GLY H A 39 TRP H 1.0 1.8 5.0 384 290 A 39 TRP H A 39 TRP HD1 1.0 1.8 5.0 385 291 A 39 TRP HD1 A 39 TRP HA 1.0 1.8 5.0 386 292 A 39 TRP HA A 40 TRP H 1.0 1.8 3.5 387 293 A 39 TRP HA A 53 PRO HA 1.0 1.8 5.0 388 294 A 39 TRP HA A 54 ALA H 1.0 1.8 5.0 389 295 A 40 TRP H A 39 TRP HBy 1.0 1.8 5.0 390 296 A 40 TRP H A 39 TRP HBx 1.0 1.8 5.0 391 297 A 39 TRP HZ3 A 52 PHE HA 1.0 1.8 5.0 392 298 A 40 TRP H A 52 PHE H 1.0 1.8 5.0 393 299 A 40 TRP HD1 A 40 TRP HA 1.0 1.8 5.0 394 300 A 41 GLU H A 40 TRP HA 1.0 1.8 3.5 395 301 A 41 GLU H A 40 TRP HBy 1.0 1.8 5.0 396 302 A 40 TRP HBx A 41 GLU H 1.0 1.8 5.0 397 303 A 40 TRP HE3 A 54 ALA HA 1.0 1.8 5.0 398 304 A 40 TRP HE3 A 54 ALA HB% 1.0 1.8 5.0 399 305 A 57 VAL HGy% A 40 TRP HE3 1.0 1.8 5.0 400 306 A 57 VAL HGy% A 40 TRP HZ3 1.0 1.8 5.0 401 307 A 41 GLU H A 40 TRP HBy 1.0 1.8 3.5 402 307 A 40 TRP HBx A 41 GLU H 1.0 1.8 3.5 403 308 A 41 GLU H A 41 GLU HBy 1.0 1.8 3.5 404 308 A 41 GLU H A 41 GLU HBx 1.0 1.8 3.5 405 309 A 42 GLY H A 41 GLU H 1.0 1.8 5.0 406 310 A 42 GLY H A 41 GLU HA 1.0 1.8 3.5 407 311 A 51 TRP HA A 41 GLU HA 1.0 1.8 5.0 408 312 A 52 PHE H A 41 GLU HA 1.0 1.8 5.0 409 313 A 42 GLY H A 41 GLU HGy 1.0 1.8 5.0 410 313 A 42 GLY H A 41 GLU HGx 1.0 1.8 5.0 411 314 A 50 GLY H A 41 GLU HGy 1.0 1.8 6.0 412 314 A 50 GLY H A 41 GLU HGx 1.0 1.8 6.0 413 315 A 49 ARG HA A 42 GLY H 1.0 1.8 6.0 414 316 A 50 GLY H A 42 GLY H 1.0 1.8 5.0 415 317 A 51 TRP HA A 42 GLY H 1.0 1.8 6.0 416 318 A 42 GLY HAy A 43 GLU H 1.0 1.8 3.5 417 319 A 42 GLY HAx A 43 GLU H 1.0 1.8 3.5 418 320 A 43 GLU H A 43 GLU HGx 1.0 1.8 5.0 419 320 A 43 GLU H A 43 GLU HGy 1.0 1.8 5.0 420 321 A 44 LYS H A 43 GLU HA 1.0 1.8 3.5 421 322 A 49 ARG HA A 43 GLU HA 1.0 1.8 3.5 422 323 A 50 GLY H A 43 GLU HA 1.0 1.8 5.0 423 324 A 44 LYS H A 43 GLU HGy 1.0 1.8 5.0 424 325 A 44 LYS H A 43 GLU HGx 1.0 1.8 5.0 425 326 A 44 LYS H A 44 LYS HGy 1.0 1.8 5.0 426 327 A 44 LYS H A 44 LYS HGx 1.0 1.8 5.0 427 328 A 44 LYS H A 47 GLY H 1.0 1.8 5.0 428 329 A 44 LYS H A 48 LEU H 1.0 1.8 5.0 429 330 A 44 LYS H A 49 ARG HA 1.0 1.8 5.0 430 331 A 44 LYS HA A 45 GLU H 1.0 1.8 3.5 431 332 A 44 LYS HA A 46 ASP H 1.0 1.8 5.0 432 333 A 44 LYS HBy A 44 LYS HDy 1.0 1.8 5.0 433 333 A 44 LYS HDy A 44 LYS HBx 1.0 1.8 5.0 434 334 A 44 LYS HBx A 44 LYS HDx 1.0 1.8 5.0 435 334 A 44 LYS HBy A 44 LYS HDx 1.0 1.8 5.0 436 335 A 44 LYS HBy A 44 LYS HEy 1.0 1.8 5.0 437 335 A 44 LYS HBx A 44 LYS HEy 1.0 1.8 5.0 438 336 A 44 LYS HEx A 44 LYS HBx 1.0 1.8 5.0 439 336 A 44 LYS HEx A 44 LYS HBy 1.0 1.8 5.0 440 337 A 44 LYS HBx A 44 LYS HDx 1.0 1.8 3.5 441 337 A 44 LYS HBy A 44 LYS HDx 1.0 1.8 3.5 442 337 A 44 LYS HDy A 44 LYS HBx 1.0 1.8 3.5 443 337 A 44 LYS HBy A 44 LYS HDy 1.0 1.8 3.5 444 338 A 46 ASP H A 44 LYS HBx 1.0 1.8 5.0 445 338 A 46 ASP H A 44 LYS HBy 1.0 1.8 5.0 446 339 A 47 GLY H A 44 LYS HBx 1.0 1.8 5.0 447 339 A 47 GLY H A 44 LYS HBy 1.0 1.8 5.0 448 340 A 48 LEU H A 44 LYS HBx 1.0 1.8 5.0 449 340 A 48 LEU H A 44 LYS HBy 1.0 1.8 5.0 450 341 A 48 LEU HBy A 44 LYS HBx 1.0 1.8 5.0 451 341 A 44 LYS HBy A 48 LEU HBy 1.0 1.8 5.0 452 342 A 46 ASP H A 44 LYS HEy 1.0 1.8 5.0 453 342 A 44 LYS HEx A 46 ASP H 1.0 1.8 5.0 454 343 A 45 GLU H A 44 LYS HGy 1.0 1.8 5.0 455 343 A 44 LYS HGx A 45 GLU H 1.0 1.8 5.0 456 344 A 45 GLU H A 45 GLU HGy 1.0 1.8 5.0 457 345 A 45 GLU H A 45 GLU HGx 1.0 1.8 5.0 458 346 A 45 GLU H A 45 GLU HBx 1.0 1.8 3.5 459 346 A 45 GLU H A 45 GLU HBy 1.0 1.8 3.5 460 347 A 45 GLU H A 45 GLU HGx 1.0 1.8 3.5 461 347 A 45 GLU H A 45 GLU HGy 1.0 1.8 3.5 462 348 A 45 GLU H A 46 ASP H 1.0 1.8 5.0 463 349 A 47 GLY H A 45 GLU HA 1.0 1.8 5.0 464 350 A 46 ASP H A 46 ASP HBy 1.0 1.8 3.5 465 350 A 46 ASP H A 46 ASP HBx 1.0 1.8 3.5 466 351 A 47 GLY H A 46 ASP H 1.0 1.8 3.5 467 352 A 48 LEU H A 46 ASP HBy 1.0 1.8 5.0 468 352 A 48 LEU H A 46 ASP HBx 1.0 1.8 5.0 469 353 A 47 GLY H A 48 LEU H 1.0 1.8 3.5 470 354 A 47 GLY H A 48 LEU HBy 1.0 1.8 5.0 471 355 A 48 LEU H A 48 LEU HBy 1.0 1.8 3.5 472 356 A 48 LEU H A 48 LEU HG 1.0 1.8 5.0 473 357 A 48 LEU H A 48 LEU HDx% 1.0 1.8 6.0 474 358 A 48 LEU H A 48 LEU HDy% 1.0 1.8 6.0 475 359 A 48 LEU H A 48 LEU HDy% 1.0 1.8 5.0 476 359 A 48 LEU H A 48 LEU HDx% 1.0 1.8 5.0 477 360 A 48 LEU HA A 48 LEU HDy% 1.0 1.8 3.5 478 360 A 48 LEU HDx% A 48 LEU HA 1.0 1.8 3.5 479 361 A 48 LEU HA A 49 ARG H 1.0 1.8 3.5 480 362 A 48 LEU HBx A 49 ARG H 1.0 1.8 5.0 481 363 A 49 ARG H A 48 LEU HDy% 1.0 1.8 5.0 482 363 A 48 LEU HDx% A 49 ARG H 1.0 1.8 5.0 483 364 A 49 ARG H A 49 ARG HGy 1.0 1.8 5.0 484 365 A 49 ARG H A 49 ARG HGx 1.0 1.8 5.0 485 366 A 49 ARG H A 49 ARG HGx 1.0 1.8 5.0 486 366 A 49 ARG H A 49 ARG HGy 1.0 1.8 5.0 487 367 A 49 ARG HA A 50 GLY H 1.0 1.8 3.5 488 368 A 49 ARG HDy A 49 ARG HBx 1.0 1.8 5.0 489 368 A 49 ARG HDy A 49 ARG HBy 1.0 1.8 5.0 490 369 A 49 ARG HDx A 49 ARG HBx 1.0 1.8 5.0 491 369 A 49 ARG HDx A 49 ARG HBy 1.0 1.8 5.0 492 370 A 50 GLY H A 49 ARG HGx 1.0 1.8 6.0 493 370 A 50 GLY H A 49 ARG HGy 1.0 1.8 6.0 494 371 A 51 TRP H A 50 GLY HAy 1.0 1.8 3.5 495 371 A 51 TRP H A 50 GLY HAx 1.0 1.8 3.5 496 372 A 51 TRP HD1 A 50 GLY HAy 1.0 1.8 5.0 497 372 A 50 GLY HAx A 51 TRP HD1 1.0 1.8 5.0 498 373 A 51 TRP H A 51 TRP HD1 1.0 1.8 5.0 499 374 A 51 TRP HA A 52 PHE H 1.0 1.8 3.5 500 375 A 52 PHE H A 51 TRP HE3 1.0 1.8 5.0 501 376 A 52 PHE HA A 51 TRP HE3 1.0 1.8 5.0 502 377 A 52 PHE HD% A 52 PHE H 1.0 1.8 5.0 503 378 A 52 PHE HA A 53 PRO HDy 1.0 1.8 3.5 504 378 A 52 PHE HA A 53 PRO HDx 1.0 1.8 3.5 505 379 A 52 PHE HBx A 53 PRO HDy 1.0 1.8 5.0 506 379 A 53 PRO HDx A 52 PHE HBy 1.0 1.8 5.0 507 379 A 53 PRO HDx A 52 PHE HBx 1.0 1.8 5.0 508 379 A 52 PHE HBy A 53 PRO HDy 1.0 1.8 5.0 509 380 A 52 PHE HD% A 53 PRO HDy 1.0 1.8 5.0 510 380 A 52 PHE HD% A 53 PRO HDx 1.0 1.8 5.0 511 381 A 53 PRO HA A 54 ALA H 1.0 1.8 3.5 512 382 A 54 ALA HB% A 53 PRO HA 1.0 1.8 5.0 513 383 A 55 SER H A 53 PRO HBy 1.0 1.8 5.0 514 384 A 55 SER H A 53 PRO HBx 1.0 1.8 5.0 515 385 A 56 TYR H A 53 PRO HBy 1.0 1.8 5.0 516 385 A 53 PRO HBx A 56 TYR H 1.0 1.8 5.0 517 386 A 56 TYR HD% A 53 PRO HBy 1.0 1.8 5.0 518 386 A 56 TYR HD% A 53 PRO HBx 1.0 1.8 5.0 519 387 A 53 PRO HDy A 56 TYR HBy 1.0 1.8 5.0 520 387 A 53 PRO HDx A 56 TYR HBy 1.0 1.8 5.0 521 387 A 56 TYR HBx A 53 PRO HDy 1.0 1.8 5.0 522 387 A 53 PRO HDx A 56 TYR HBx 1.0 1.8 5.0 523 388 A 54 ALA HB% A 54 ALA H 1.0 1.8 3.5 524 389 A 54 ALA HA A 56 TYR H 1.0 1.8 5.0 525 390 A 57 VAL HGy% A 54 ALA HA 1.0 1.8 5.0 526 391 A 55 SER H A 55 SER HBy 1.0 1.8 3.5 527 391 A 55 SER H A 55 SER HBx 1.0 1.8 3.5 528 392 A 55 SER H A 56 TYR H 1.0 1.8 5.0 529 393 A 56 TYR H A 56 TYR HBy 1.0 1.8 3.5 530 393 A 56 TYR H A 56 TYR HBx 1.0 1.8 3.5 531 394 A 56 TYR HD% A 56 TYR H 1.0 1.8 5.0 532 395 A 57 VAL H A 56 TYR H 1.0 1.8 3.5 533 396 A 57 VAL HGx% A 56 TYR H 1.0 1.8 5.0 534 397 A 56 TYR HA A 56 TYR HD% 1.0 1.8 5.0 535 398 A 56 TYR HA A 56 TYR HE% 1.0 1.8 5.0 536 399 A 57 VAL HGx% A 57 VAL H 1.0 1.8 5.0 537 400 A 57 VAL HGy% A 57 VAL H 1.0 1.8 3.5 538 401 A 57 VAL HA A 58 GLN H 1.0 1.8 3.5 539 402 A 57 VAL HA A 58 GLN HBx 1.0 1.8 5.0 540 402 A 58 GLN HBy A 57 VAL HA 1.0 1.8 5.0 541 403 A 57 VAL HB A 58 GLN H 1.0 1.8 5.0 542 404 A 57 VAL HGx% A 58 GLN H 1.0 1.8 5.0 543 405 A 57 VAL HGy% A 58 GLN H 1.0 1.8 5.0 544 406 A 57 VAL HGy% A 59 LEU H 1.0 1.8 5.0 545 407 A 58 GLN H A 58 GLN HGx 1.0 1.8 5.0 546 407 A 58 GLN H A 58 GLN HGy 1.0 1.8 5.0 547 408 A 58 GLN HA A 59 LEU H 1.0 1.8 3.5 548 409 A 59 LEU H A 58 GLN HGy 1.0 1.8 5.0 549 410 A 59 LEU H A 58 GLN HGx 1.0 1.8 5.0 550 411 A 59 LEU H A 58 GLN HGx 1.0 1.8 5.0 551 411 A 59 LEU H A 58 GLN HGy 1.0 1.8 5.0 552 412 A 59 LEU H A 59 LEU HBy 1.0 1.8 3.5 553 413 A 59 LEU H A 59 LEU HG 1.0 1.8 3.5 554 414 A 59 LEU H A 59 LEU HDx% 1.0 1.8 5.0 555 415 A 59 LEU HDy% A 59 LEU H 1.0 1.8 5.0 556 416 A 59 LEU HA A 59 LEU HDy% 1.0 1.8 5.0 557 417 A 59 LEU HA A 60 LEU H 1.0 1.8 3.5 558 418 A 59 LEU HDy% A 59 LEU HBy 1.0 1.8 3.5 559 419 A 60 LEU H A 59 LEU HBy 1.0 1.8 5.0 560 420 A 60 LEU H A 59 LEU HDy% 1.0 1.8 5.0 561 421 A 60 LEU H A 60 LEU HG 1.0 1.8 3.5 562 422 A 60 LEU H A 60 LEU HBy 1.0 1.8 3.5 563 422 A 60 LEU H A 60 LEU HBx 1.0 1.8 3.5 564 423 A 60 LEU HDx% A 60 LEU H 1.0 1.8 5.0 565 424 A 60 LEU HDy% A 60 LEU H 1.0 1.8 5.0 566 425 A 60 LEU HDy% A 60 LEU HA 1.0 1.8 3.5 567 426 A 60 LEU HDx% A 60 LEU HBy 1.0 1.8 3.5 568 426 A 60 LEU HDx% A 60 LEU HBx 1.0 1.8 3.5 569 427 A 60 LEU HDy% A 60 LEU HBy 1.0 1.8 3.5 570 427 A 60 LEU HDy% A 60 LEU HBx 1.0 1.8 3.5 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 3 GLY C A 4 ALA N A 4 ALA CA A 4 ALA C 1.0 -149.5 -9.5 PHI 2 2 A 4 ALA N A 4 ALA CA A 4 ALA C A 5 ARG N 1.0 58.5 196.9 PSI 3 3 A 4 ALA C A 5 ARG N A 5 ARG CA A 5 ARG C 1.0 -170.4 -81.6 PHI 4 4 A 5 ARG N A 5 ARG CA A 5 ARG C A 6 CYS N 1.0 116.1 185.1 PSI 5 5 A 5 ARG C A 6 CYS N A 6 CYS CA A 6 CYS C 1.0 -164.4 -124.4 PHI 6 6 A 6 CYS N A 6 CYS CA A 6 CYS C A 7 ARG N 1.0 142.7 182.7 PSI 7 7 A 6 CYS C A 7 ARG N A 7 ARG CA A 7 ARG C 1.0 -160.6 -109.0 PHI 8 8 A 7 ARG N A 7 ARG CA A 7 ARG C A 8 THR N 1.0 129.5 172.7 PSI 9 9 A 7 ARG C A 8 THR N A 8 THR CA A 8 THR C 1.0 -94.7 -54.7 PHI 10 10 A 8 THR N A 8 THR CA A 8 THR C A 9 LEU N 1.0 110.2 165.6 PSI 11 11 A 8 THR C A 9 LEU N A 9 LEU CA A 9 LEU C 1.0 -134.4 -63.4 PHI 12 12 A 9 LEU N A 9 LEU CA A 9 LEU C A 10 TYR N 1.0 -73.7 9.1 PSI 13 13 A 9 LEU C A 10 TYR N A 10 TYR CA A 10 TYR C 1.0 -165.9 -95.9 PHI 14 14 A 10 TYR N A 10 TYR CA A 10 TYR C A 11 PRO N 1.0 65.6 205.6 PSI 15 15 A 11 PRO C A 12 PHE N A 12 PHE CA A 12 PHE C 1.0 -149.9 -93.9 PHI 16 16 A 12 PHE N A 12 PHE CA A 12 PHE C A 13 SER N 1.0 103.5 161.3 PSI 17 17 A 19 GLN C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -197.7 -57.7 PHI 18 18 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 LEU N 1.0 76.8 196.0 PSI 19 19 A 20 GLY C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -165.1 -91.5 PHI 20 20 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 ARG N 1.0 114.4 173.0 PSI 21 21 A 21 LEU C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -127.8 -78.6 PHI 22 22 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 PHE N 1.0 119.0 168.0 PSI 23 23 A 22 ARG C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -171.8 -78.0 PHI 24 24 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 ALA N 1.0 114.5 175.7 PSI 25 25 A 23 PHE C A 24 ALA N A 24 ALA CA A 24 ALA C 1.0 -136.7 -59.5 PHI 26 26 A 24 ALA N A 24 ALA CA A 24 ALA C A 25 ALA N 1.0 125.6 165.6 PSI 27 27 A 24 ALA C A 25 ALA N A 25 ALA CA A 25 ALA C 1.0 -77.2 -37.2 PHI 28 28 A 25 ALA N A 25 ALA CA A 25 ALA C A 26 GLY N 1.0 113.4 153.4 PSI 29 29 A 25 ALA C A 26 GLY N A 26 GLY CA A 26 GLY C 1.0 73.0 113.0 PHI 30 30 A 26 GLY N A 26 GLY CA A 26 GLY C A 27 GLU N 1.0 -40.3 18.5 PSI 31 31 A 26 GLY C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -150.5 -10.5 PHI 32 32 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 LEU N 1.0 64.7 204.7 PSI 33 33 A 27 GLU C A 28 LEU N A 28 LEU CA A 28 LEU C 1.0 -151.3 -69.1 PHI 34 34 A 28 LEU N A 28 LEU CA A 28 LEU C A 29 ILE N 1.0 104.9 170.7 PSI 35 35 A 28 LEU C A 29 ILE N A 29 ILE CA A 29 ILE C 1.0 -150.1 -89.5 PHI 36 36 A 29 ILE N A 29 ILE CA A 29 ILE C A 30 THR N 1.0 111.2 151.2 PSI 37 37 A 29 ILE C A 30 THR N A 30 THR CA A 30 THR C 1.0 -123.9 -70.3 PHI 38 38 A 30 THR N A 30 THR CA A 30 THR C A 31 LEU N 1.0 108.4 149.4 PSI 39 39 A 30 THR C A 31 LEU N A 31 LEU CA A 31 LEU C 1.0 -151.4 -11.4 PHI 40 40 A 31 LEU N A 31 LEU CA A 31 LEU C A 32 LEU N 1.0 73.2 205.6 PSI 41 41 A 31 LEU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -129.9 -77.1 PHI 42 42 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 GLN N 1.0 -50.4 -3.2 PSI 43 43 A 32 LEU C A 33 GLN N A 33 GLN CA A 33 GLN C 1.0 -206.4 -80.0 PHI 44 44 A 33 GLN N A 33 GLN CA A 33 GLN C A 34 VAL N 1.0 138.7 178.7 PSI 45 45 A 33 GLN C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -170.1 -62.1 PHI 46 46 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 PRO N 1.0 37.2 177.2 PSI 47 47 A 38 GLY C A 39 TRP N A 39 TRP CA A 39 TRP C 1.0 -147.4 -82.4 PHI 48 48 A 39 TRP N A 39 TRP CA A 39 TRP C A 40 TRP N 1.0 97.0 167.0 PSI 49 49 A 39 TRP C A 40 TRP N A 40 TRP CA A 40 TRP C 1.0 -158.3 -113.9 PHI 50 50 A 40 TRP N A 40 TRP CA A 40 TRP C A 41 GLU N 1.0 136.6 176.6 PSI 51 51 A 40 TRP C A 41 GLU N A 41 GLU CA A 41 GLU C 1.0 -144.9 -92.7 PHI 52 52 A 41 GLU N A 41 GLU CA A 41 GLU C A 42 GLY N 1.0 118.2 158.2 PSI 53 53 A 41 GLU C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 -207.7 -86.5 PHI 54 54 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 GLU N 1.0 120.6 215.6 PSI 55 55 A 42 GLY C A 43 GLU N A 43 GLU CA A 43 GLU C 1.0 -153.2 -105.0 PHI 56 56 A 43 GLU N A 43 GLU CA A 43 GLU C A 44 LYS N 1.0 107.7 165.5 PSI 57 57 A 43 GLU C A 44 LYS N A 44 LYS CA A 44 LYS C 1.0 -127.5 -41.1 PHI 58 58 A 44 LYS N A 44 LYS CA A 44 LYS C A 45 GLU N 1.0 114.6 181.8 PSI 59 59 A 46 ASP C A 47 GLY N A 47 GLY CA A 47 GLY C 1.0 68.7 108.7 PHI 60 60 A 47 GLY N A 47 GLY CA A 47 GLY C A 48 LEU N 1.0 -25.5 19.3 PSI 61 61 A 47 GLY C A 48 LEU N A 48 LEU CA A 48 LEU C 1.0 -96.3 -54.1 PHI 62 62 A 48 LEU N A 48 LEU CA A 48 LEU C A 49 ARG N 1.0 73.3 195.5 PSI 63 63 A 48 LEU C A 49 ARG N A 49 ARG CA A 49 ARG C 1.0 -168.4 -106.8 PHI 64 64 A 49 ARG N A 49 ARG CA A 49 ARG C A 50 GLY N 1.0 130.4 180.0 PSI 65 65 A 49 ARG C A 50 GLY N A 50 GLY CA A 50 GLY C 1.0 -246.5 -106.5 PHI 66 66 A 50 GLY N A 50 GLY CA A 50 GLY C A 51 TRP N 1.0 155.3 195.3 PSI 67 67 A 50 GLY C A 51 TRP N A 51 TRP CA A 51 TRP C 1.0 -153.4 -70.0 PHI 68 68 A 51 TRP N A 51 TRP CA A 51 TRP C A 52 PHE N 1.0 130.7 170.7 PSI 69 69 A 51 TRP C A 52 PHE N A 52 PHE CA A 52 PHE C 1.0 -177.7 -63.1 PHI 70 70 A 52 PHE N A 52 PHE CA A 52 PHE C A 53 PRO N 1.0 48.7 188.7 PSI 71 71 A 53 PRO C A 54 ALA N A 54 ALA CA A 54 ALA C 1.0 -76.9 -36.9 PHI 72 72 A 54 ALA N A 54 ALA CA A 54 ALA C A 55 SER N 1.0 -56.0 -16.0 PSI 73 73 A 54 ALA C A 55 SER N A 55 SER CA A 55 SER C 1.0 -98.1 -49.3 PHI 74 74 A 55 SER N A 55 SER CA A 55 SER C A 56 TYR N 1.0 -39.2 15.0 PSI 75 75 A 56 TYR C A 57 VAL N A 57 VAL CA A 57 VAL C 1.0 -161.5 -107.1 PHI 76 76 A 57 VAL N A 57 VAL CA A 57 VAL C A 58 GLN N 1.0 115.6 194.8 PSI 77 77 A 57 VAL C A 58 GLN N A 58 GLN CA A 58 GLN C 1.0 -151.0 -81.6 PHI 78 78 A 58 GLN N A 58 GLN CA A 58 GLN C A 59 LEU N 1.0 104.3 152.5 PSI 79 79 A 58 GLN C A 59 LEU N A 59 LEU CA A 59 LEU C 1.0 -132.1 -38.3 PHI 80 80 A 59 LEU N A 59 LEU CA A 59 LEU C A 60 LEU N 1.0 104.8 144.8 PSI stop_ save_