data_nef_c25464_2myy save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2MYY 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 PRO middle . false 3 A 3 GLY middle . false 4 A 4 SER middle . . 5 A 5 MET middle . . 6 A 6 LYS middle . . 7 A 7 ILE middle . . 8 A 8 MET middle . . 9 A 9 SER middle . . 10 A 10 ASP middle . . 11 A 11 ASN middle . . 12 A 12 PRO middle . false 13 A 13 PHE middle . . 14 A 14 ASP middle . . 15 A 15 ASP middle . . 16 A 16 GLU middle . . 17 A 17 ASP middle . . 18 A 18 GLY middle . false 19 A 19 MET middle . . 20 A 20 PHE middle . . 21 A 21 PHE middle . . 22 A 22 VAL middle . . 23 A 23 LEU middle . . 24 A 24 ILE middle . . 25 A 25 ASN middle . . 26 A 26 ASP middle . . 27 A 27 GLU middle . . 28 A 28 GLU middle . . 29 A 29 GLN middle . . 30 A 30 HIS middle . . 31 A 31 SER middle . . 32 A 32 LEU middle . . 33 A 33 TRP middle . . 34 A 34 PRO middle . false 35 A 35 THR middle . . 36 A 36 PHE middle . . 37 A 37 ALA middle . . 38 A 38 ASP middle . . 39 A 39 VAL middle . . 40 A 40 PRO middle . false 41 A 41 ALA middle . . 42 A 42 GLY middle . false 43 A 43 TRP middle . . 44 A 44 ARG middle . . 45 A 45 VAL middle . . 46 A 46 VAL middle . . 47 A 47 PHE middle . . 48 A 48 GLY middle . false 49 A 49 GLU middle . . 50 A 50 ALA middle . . 51 A 51 SER middle . . 52 A 52 ARG middle . . 53 A 53 ALA middle . . 54 A 54 SER middle . . 55 A 55 CYS middle . . 56 A 56 VAL middle . . 57 A 57 GLU middle . . 58 A 58 TYR middle . . 59 A 59 VAL middle . . 60 A 60 ASP middle . . 61 A 61 GLN middle . . 62 A 62 HIS middle . . 63 A 63 TRP middle . . 64 A 64 THR middle . . 65 A 65 ASP middle . . 66 A 66 ILE middle . . 67 A 67 ARG middle . . 68 A 68 PRO middle . false 69 A 69 LYS middle . . 70 A 70 SER middle . . 71 A 71 LEU middle . . 72 A 72 ARG middle . . 73 A 73 GLU middle . . 74 A 74 LYS middle . . 75 A 75 LEU middle . . 76 A 76 ALA middle . . 77 A 77 SER middle . . 78 A 78 GLY middle . false 79 A 79 GLN middle . . 80 A 80 GLY end . false 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 2 PRO HA H 1 4.46 0.02 A 2 PRO HBy H 1 2.27 0.02 A 2 PRO HBx H 1 1.95 0.02 A 2 PRO HDy H 1 3.60 0.02 A 2 PRO HDx H 1 3.53 0.02 A 2 PRO HGy H 1 2.01 0.02 A 2 PRO HGx H 1 1.97 0.02 A 2 PRO CA C 13 63.4 0.2 A 2 PRO CB C 13 32.1 0.2 A 2 PRO CD C 13 49.5 0.2 A 2 PRO CG C 13 26.9 0.2 A 3 GLY CA C 13 45.1 0.2 A 10 ASP H H 1 8.42 0.02 A 10 ASP HA H 1 4.60 0.02 A 10 ASP HBy H 1 2.68 0.02 A 10 ASP HBx H 1 2.63 0.02 A 10 ASP C C 13 175.3 0.2 A 10 ASP CA C 13 54.5 0.2 A 10 ASP CB C 13 40.9 0.2 A 10 ASP N N 15 121.5 0.2 A 11 ASN H H 1 8.27 0.02 A 11 ASN HA H 1 4.95 0.02 A 11 ASN HBy H 1 2.83 0.02 A 11 ASN HBx H 1 2.64 0.02 A 11 ASN HD2y H 1 7.63 0.02 A 11 ASN HD2x H 1 6.99 0.02 A 11 ASN CA C 13 50.8 0.2 A 11 ASN CB C 13 39.1 0.2 A 11 ASN N N 15 118.4 0.2 A 11 ASN ND2 N 15 112.6 0.2 A 12 PRO HA H 1 4.38 0.02 A 12 PRO HBy H 1 2.17 0.02 A 12 PRO HBx H 1 1.62 0.02 A 12 PRO HDy H 1 3.74 0.02 A 12 PRO HDx H 1 3.68 0.02 A 12 PRO HGy H 1 1.91 0.02 A 12 PRO HGx H 1 1.65 0.02 A 12 PRO C C 13 177.1 0.2 A 12 PRO CA C 13 63.7 0.2 A 12 PRO CB C 13 31.9 0.2 A 12 PRO CD C 13 50.6 0.2 A 12 PRO CG C 13 26.8 0.2 A 13 PHE H H 1 8.12 0.02 A 13 PHE HA H 1 4.50 0.02 A 13 PHE HBy H 1 3.16 0.02 A 13 PHE HBx H 1 2.99 0.02 A 13 PHE HDx H 1 7.24 0.02 A 13 PHE HDy H 1 7.24 0.02 A 13 PHE C C 13 175.7 0.2 A 13 PHE CA C 13 58.3 0.2 A 13 PHE CB C 13 38.7 0.2 A 13 PHE CDx C 13 131.8 0.2 A 13 PHE CDy C 13 131.8 0.2 A 13 PHE N N 15 117.5 0.2 A 14 ASP H H 1 8.01 0.02 A 14 ASP HA H 1 4.62 0.02 A 14 ASP HBy H 1 2.75 0.02 A 14 ASP HBx H 1 2.60 0.02 A 14 ASP C C 13 175.8 0.2 A 14 ASP CA C 13 54.4 0.2 A 14 ASP CB C 13 41.4 0.2 A 14 ASP N N 15 120.0 0.2 A 15 ASP H H 1 7.90 0.02 A 15 ASP HA H 1 4.61 0.02 A 15 ASP HBy H 1 2.83 0.02 A 15 ASP HBx H 1 2.66 0.02 A 15 ASP C C 13 176.7 0.2 A 15 ASP CA C 13 54.5 0.2 A 15 ASP CB C 13 41.2 0.2 A 15 ASP N N 15 119.9 0.2 A 16 GLU H H 1 8.61 0.02 A 16 GLU HA H 1 4.23 0.02 A 16 GLU HBy H 1 2.16 0.02 A 16 GLU HBx H 1 2.02 0.02 A 16 GLU HGy H 1 2.36 0.02 A 16 GLU HGx H 1 2.29 0.02 A 16 GLU C C 13 176.6 0.2 A 16 GLU CA C 13 57.4 0.2 A 16 GLU CB C 13 30.1 0.2 A 16 GLU CG C 13 36.2 0.2 A 16 GLU N N 15 122.7 0.2 A 17 ASP H H 1 8.49 0.02 A 17 ASP HA H 1 4.85 0.02 A 17 ASP HBy H 1 2.82 0.02 A 17 ASP HBx H 1 2.69 0.02 A 17 ASP C C 13 176.3 0.2 A 17 ASP CA C 13 54.3 0.2 A 17 ASP CB C 13 41.6 0.2 A 17 ASP N N 15 119.5 0.2 A 18 GLY H H 1 8.07 0.02 A 18 GLY HAy H 1 4.00 0.02 A 18 GLY HAx H 1 3.88 0.02 A 18 GLY C C 13 172.7 0.2 A 18 GLY CA C 13 44.9 0.2 A 18 GLY N N 15 107.7 0.2 A 19 MET H H 1 7.82 0.02 A 19 MET HA H 1 4.89 0.02 A 19 MET HBy H 1 1.83 0.02 A 19 MET HBx H 1 1.45 0.02 A 19 MET HE% H 1 1.95 0.02 A 19 MET HGy H 1 2.55 0.02 A 19 MET HGx H 1 2.34 0.02 A 19 MET C C 13 176.0 0.2 A 19 MET CA C 13 53.7 0.2 A 19 MET CB C 13 35.1 0.2 A 19 MET CE C 13 17.8 0.2 A 19 MET CG C 13 32.6 0.2 A 19 MET N N 15 117.4 0.2 A 20 PHE H H 1 9.37 0.02 A 20 PHE HA H 1 5.01 0.02 A 20 PHE HBy H 1 3.14 0.02 A 20 PHE HBx H 1 3.04 0.02 A 20 PHE HDx H 1 6.99 0.02 A 20 PHE HDy H 1 6.99 0.02 A 20 PHE HEx H 1 7.17 0.02 A 20 PHE HEy H 1 7.17 0.02 A 20 PHE C C 13 174.2 0.2 A 20 PHE CA C 13 57.4 0.2 A 20 PHE CB C 13 45.8 0.2 A 20 PHE CDx C 13 131.4 0.2 A 20 PHE CDy C 13 131.4 0.2 A 20 PHE CEx C 13 131.5 0.2 A 20 PHE CEy C 13 131.5 0.2 A 20 PHE N N 15 120.1 0.2 A 21 PHE H H 1 9.60 0.02 A 21 PHE HA H 1 5.63 0.02 A 21 PHE HBy H 1 3.42 0.02 A 21 PHE HBx H 1 2.73 0.02 A 21 PHE HDx H 1 7.09 0.02 A 21 PHE HDy H 1 7.09 0.02 A 21 PHE HEx H 1 7.43 0.02 A 21 PHE HEy H 1 7.43 0.02 A 21 PHE C C 13 177.5 0.2 A 21 PHE CA C 13 55.5 0.2 A 21 PHE CB C 13 44.1 0.2 A 21 PHE CDx C 13 131.6 0.2 A 21 PHE CDy C 13 131.6 0.2 A 21 PHE CEx C 13 131.6 0.2 A 21 PHE CEy C 13 131.6 0.2 A 21 PHE N N 15 115.2 0.2 A 22 VAL H H 1 8.75 0.02 A 22 VAL HB H 1 1.93 0.02 A 22 VAL HGx% H 1 1.16 0.02 A 22 VAL HGy% H 1 1.09 0.02 A 22 VAL C C 13 175.0 0.2 A 22 VAL CA C 13 62.7 0.2 A 22 VAL CB C 13 32.8 0.2 A 22 VAL CGx C 13 22.6 0.2 A 22 VAL CGy C 13 22.9 0.2 A 22 VAL N N 15 116.6 0.2 A 23 LEU H H 1 9.53 0.02 A 23 LEU HA H 1 5.64 0.02 A 23 LEU HBy H 1 1.82 0.02 A 23 LEU HBx H 1 1.62 0.02 A 23 LEU HDx% H 1 0.06 0.02 A 23 LEU HDy% H 1 0.59 0.02 A 23 LEU HG H 1 1.65 0.02 A 23 LEU C C 13 176.2 0.2 A 23 LEU CA C 13 51.8 0.2 A 23 LEU CB C 13 46.7 0.2 A 23 LEU CDy C 13 25.2 0.2 A 23 LEU CDx C 13 24.6 0.2 A 23 LEU CG C 13 27.3 0.2 A 23 LEU N N 15 126.5 0.2 A 24 ILE H H 1 9.30 0.02 A 24 ILE HA H 1 5.69 0.02 A 24 ILE HB H 1 1.48 0.02 A 24 ILE HD1% H 1 0.73 0.02 A 24 ILE HG1y H 1 1.31 0.02 A 24 ILE HG1x H 1 1.01 0.02 A 24 ILE HG2% H 1 0.71 0.02 A 24 ILE C C 13 174.3 0.2 A 24 ILE CA C 13 58.9 0.2 A 24 ILE CB C 13 43.6 0.2 A 24 ILE CD1 C 13 14.3 0.2 A 24 ILE CG1 C 13 27.4 0.2 A 24 ILE CG2 C 13 16.7 0.2 A 24 ILE N N 15 117.7 0.2 A 25 ASN H H 1 7.30 0.02 A 25 ASN HA H 1 4.70 0.02 A 25 ASN HBy H 1 2.35 0.02 A 25 ASN HBx H 1 0.26 0.02 A 25 ASN C C 13 177.7 0.2 A 25 ASN CA C 13 49.7 0.2 A 25 ASN CB C 13 37.6 0.2 A 25 ASN N N 15 122.5 0.2 A 26 ASP H H 1 8.34 0.02 A 26 ASP HA H 1 4.36 0.02 A 26 ASP HBy H 1 2.67 0.02 A 26 ASP HBx H 1 2.54 0.02 A 26 ASP C C 13 176.7 0.2 A 26 ASP CA C 13 56.5 0.2 A 26 ASP CB C 13 39.9 0.2 A 26 ASP N N 15 118.1 0.2 A 27 GLU H H 1 7.19 0.02 A 27 GLU HA H 1 4.54 0.02 A 27 GLU HBy H 1 2.27 0.02 A 27 GLU HBx H 1 1.71 0.02 A 27 GLU HGx H 1 2.13 0.02 A 27 GLU HGy H 1 2.13 0.02 A 27 GLU C C 13 175.1 0.2 A 27 GLU CA C 13 55.7 0.2 A 27 GLU CB C 13 29.5 0.2 A 27 GLU CG C 13 35.9 0.2 A 27 GLU N N 15 117.6 0.2 A 28 GLU H H 1 8.05 0.02 A 28 GLU HA H 1 3.59 0.02 A 28 GLU HBy H 1 2.44 0.02 A 28 GLU HBx H 1 2.34 0.02 A 28 GLU HGx H 1 2.18 0.02 A 28 GLU HGy H 1 2.18 0.02 A 28 GLU C C 13 175.2 0.2 A 28 GLU CA C 13 57.8 0.2 A 28 GLU CB C 13 26.5 0.2 A 28 GLU CG C 13 37.2 0.2 A 28 GLU N N 15 112.8 0.2 A 29 GLN H H 1 7.84 0.02 A 29 GLN HA H 1 4.28 0.02 A 29 GLN HBy H 1 2.03 0.02 A 29 GLN HBx H 1 1.88 0.02 A 29 GLN HE2y H 1 7.73 0.02 A 29 GLN HE2x H 1 7.00 0.02 A 29 GLN HGy H 1 2.41 0.02 A 29 GLN HGx H 1 2.34 0.02 A 29 GLN C C 13 174.6 0.2 A 29 GLN CA C 13 54.9 0.2 A 29 GLN CB C 13 29.3 0.2 A 29 GLN CG C 13 34.1 0.2 A 29 GLN N N 15 117.2 0.2 A 29 GLN NE2 N 15 112.6 0.2 A 30 HIS HA H 1 6.06 0.02 A 30 HIS HBy H 1 2.71 0.02 A 30 HIS HBx H 1 2.63 0.02 A 30 HIS C C 13 175.9 0.2 A 30 HIS CA C 13 54.7 0.2 A 30 HIS CB C 13 32.9 0.2 A 31 SER H H 1 8.85 0.02 A 31 SER HA H 1 4.74 0.02 A 31 SER HBy H 1 3.46 0.02 A 31 SER HBx H 1 3.18 0.02 A 31 SER C C 13 173.2 0.2 A 31 SER CA C 13 57.4 0.2 A 31 SER CB C 13 66.6 0.2 A 31 SER N N 15 113.1 0.2 A 32 LEU HA H 1 5.36 0.02 A 32 LEU HBy H 1 1.67 0.02 A 32 LEU HBx H 1 1.59 0.02 A 32 LEU HDx% H 1 0.61 0.02 A 32 LEU HDy% H 1 0.75 0.02 A 32 LEU C C 13 178.2 0.2 A 32 LEU CA C 13 56.0 0.2 A 32 LEU CB C 13 43.7 0.2 A 32 LEU CDy C 13 25.3 0.2 A 32 LEU CDx C 13 24.6 0.2 A 33 TRP H H 1 9.17 0.02 A 33 TRP HA H 1 5.30 0.02 A 33 TRP HBy H 1 3.09 0.02 A 33 TRP HBx H 1 3.04 0.02 A 33 TRP HD1 H 1 7.02 0.02 A 33 TRP HE1 H 1 9.05 0.02 A 33 TRP HE3 H 1 7.63 0.02 A 33 TRP HH2 H 1 7.06 0.02 A 33 TRP HZ2 H 1 7.43 0.02 A 33 TRP CA C 13 54.1 0.2 A 33 TRP CB C 13 35.5 0.2 A 33 TRP CD1 C 13 127.4 0.2 A 33 TRP CH2 C 13 120.5 0.2 A 33 TRP CZ2 C 13 115.2 0.2 A 33 TRP N N 15 123.4 0.2 A 33 TRP NE1 N 15 129.3 0.2 A 34 PRO HA H 1 3.81 0.02 A 34 PRO HBy H 1 1.34 0.02 A 34 PRO HBx H 1 0.71 0.02 A 34 PRO HDy H 1 2.93 0.02 A 34 PRO HDx H 1 1.91 0.02 A 34 PRO HGy H 1 1.05 0.02 A 34 PRO HGx H 1 0.77 0.02 A 34 PRO C C 13 177.4 0.2 A 34 PRO CA C 13 61.8 0.2 A 34 PRO CB C 13 32.0 0.2 A 34 PRO CD C 13 49.8 0.2 A 34 PRO CG C 13 26.5 0.2 A 35 THR H H 1 7.26 0.02 A 35 THR HA H 1 3.73 0.02 A 35 THR HB H 1 3.92 0.02 A 35 THR HG2% H 1 0.05 0.02 A 35 THR C C 13 176.1 0.2 A 35 THR CA C 13 63.6 0.2 A 35 THR CB C 13 68.2 0.2 A 35 THR CG2 C 13 21.1 0.2 A 35 THR N N 15 107.7 0.2 A 36 PHE H H 1 6.77 0.02 A 36 PHE HA H 1 4.51 0.02 A 36 PHE HBy H 1 3.34 0.02 A 36 PHE HBx H 1 2.87 0.02 A 36 PHE HDx H 1 7.07 0.02 A 36 PHE HDy H 1 7.07 0.02 A 36 PHE C C 13 174.5 0.2 A 36 PHE CA C 13 56.9 0.2 A 36 PHE CB C 13 37.6 0.2 A 36 PHE CDx C 13 132.4 0.2 A 36 PHE CDy C 13 132.4 0.2 A 36 PHE N N 15 114.5 0.2 A 37 ALA H H 1 6.95 0.02 A 37 ALA HA H 1 4.71 0.02 A 37 ALA HB% H 1 1.03 0.02 A 37 ALA C C 13 177.3 0.2 A 37 ALA CA C 13 50.2 0.2 A 37 ALA CB C 13 20.4 0.2 A 37 ALA N N 15 125.3 0.2 A 38 ASP H H 1 8.87 0.02 A 38 ASP HA H 1 4.48 0.02 A 38 ASP HBy H 1 2.63 0.02 A 38 ASP HBx H 1 2.55 0.02 A 38 ASP C C 13 176.7 0.2 A 38 ASP CA C 13 55.0 0.2 A 38 ASP CB C 13 40.4 0.2 A 38 ASP N N 15 124.5 0.2 A 39 VAL H H 1 8.65 0.02 A 39 VAL HA H 1 3.36 0.02 A 39 VAL HB H 1 1.78 0.02 A 39 VAL HGx% H 1 0.82 0.02 A 39 VAL HGy% H 1 0.64 0.02 A 39 VAL CA C 13 61.1 0.2 A 39 VAL CB C 13 32.2 0.2 A 39 VAL CGy C 13 22.3 0.2 A 39 VAL CGx C 13 21.2 0.2 A 39 VAL N N 15 126.0 0.2 A 40 PRO HA H 1 4.25 0.02 A 40 PRO HBy H 1 1.99 0.02 A 40 PRO HBx H 1 1.61 0.02 A 40 PRO HDy H 1 2.42 0.02 A 40 PRO HDx H 1 2.03 0.02 A 40 PRO HGx H 1 0.82 0.02 A 40 PRO HGy H 1 0.82 0.02 A 40 PRO C C 13 175.8 0.2 A 40 PRO CA C 13 62.2 0.2 A 40 PRO CB C 13 31.7 0.2 A 40 PRO CD C 13 50.0 0.2 A 40 PRO CG C 13 26.6 0.2 A 41 ALA H H 1 8.28 0.02 A 41 ALA HA H 1 4.18 0.02 A 41 ALA HB% H 1 1.40 0.02 A 41 ALA C C 13 179.0 0.2 A 41 ALA CA C 13 53.3 0.2 A 41 ALA CB C 13 18.3 0.2 A 41 ALA N N 15 122.7 0.2 A 42 GLY H H 1 8.77 0.02 A 42 GLY HAy H 1 4.19 0.02 A 42 GLY HAx H 1 3.56 0.02 A 42 GLY C C 13 173.8 0.2 A 42 GLY CA C 13 44.7 0.2 A 42 GLY N N 15 109.8 0.2 A 43 TRP H H 1 7.74 0.02 A 43 TRP HA H 1 4.95 0.02 A 43 TRP HBy H 1 2.85 0.02 A 43 TRP HBx H 1 2.76 0.02 A 43 TRP HD1 H 1 6.90 0.02 A 43 TRP HE1 H 1 10.16 0.02 A 43 TRP HE3 H 1 7.10 0.02 A 43 TRP HH2 H 1 6.86 0.02 A 43 TRP HZ2 H 1 7.39 0.02 A 43 TRP HZ3 H 1 6.72 0.02 A 43 TRP C C 13 174.9 0.2 A 43 TRP CA C 13 55.7 0.2 A 43 TRP CB C 13 32.0 0.2 A 43 TRP CD1 C 13 128.0 0.2 A 43 TRP CE3 C 13 121.3 0.2 A 43 TRP CH2 C 13 124.3 0.2 A 43 TRP CZ2 C 13 114.7 0.2 A 43 TRP CZ3 C 13 121.3 0.2 A 43 TRP N N 15 120.3 0.2 A 43 TRP NE1 N 15 129.3 0.2 A 44 ARG H H 1 8.99 0.02 A 44 ARG HA H 1 4.72 0.02 A 44 ARG HBx H 1 1.65 0.02 A 44 ARG HBy H 1 1.65 0.02 A 44 ARG HDx H 1 3.07 0.02 A 44 ARG HDy H 1 3.07 0.02 A 44 ARG HGy H 1 1.53 0.02 A 44 ARG HGx H 1 1.34 0.02 A 44 ARG C C 13 174.9 0.2 A 44 ARG CA C 13 53.9 0.2 A 44 ARG CB C 13 33.2 0.2 A 44 ARG CD C 13 43.2 0.2 A 44 ARG CG C 13 26.9 0.2 A 44 ARG N N 15 117.7 0.2 A 45 VAL H H 1 8.72 0.02 A 45 VAL HA H 1 3.98 0.02 A 45 VAL HB H 1 1.67 0.02 A 45 VAL HGx% H 1 0.55 0.02 A 45 VAL HGy% H 1 0.16 0.02 A 45 VAL C C 13 177.6 0.2 A 45 VAL CA C 13 63.7 0.2 A 45 VAL CB C 13 32.1 0.2 A 45 VAL CGy C 13 21.7 0.2 A 45 VAL CGx C 13 20.7 0.2 A 45 VAL N N 15 122.8 0.2 A 46 VAL H H 1 9.06 0.02 A 46 VAL HA H 1 4.68 0.02 A 46 VAL HB H 1 2.35 0.02 A 46 VAL HGx% H 1 0.94 0.02 A 46 VAL HGy% H 1 0.89 0.02 A 46 VAL C C 13 174.2 0.2 A 46 VAL CA C 13 60.5 0.2 A 46 VAL CB C 13 34.0 0.2 A 46 VAL CGy C 13 22.4 0.2 A 46 VAL CGx C 13 19.8 0.2 A 46 VAL N N 15 120.4 0.2 A 47 PHE H H 1 7.68 0.02 A 47 PHE HA H 1 4.45 0.02 A 47 PHE HBy H 1 2.07 0.02 A 47 PHE HBx H 1 1.86 0.02 A 47 PHE HDx H 1 7.10 0.02 A 47 PHE HDy H 1 7.10 0.02 A 47 PHE CA C 13 58.7 0.2 A 47 PHE CB C 13 41.7 0.2 A 47 PHE CDx C 13 132.6 0.2 A 47 PHE CDy C 13 132.6 0.2 A 47 PHE N N 15 121.1 0.2 A 48 GLY H H 1 7.38 0.02 A 48 GLY HAx H 1 2.81 0.02 A 48 GLY HAy H 1 2.81 0.02 A 48 GLY C C 13 174.7 0.2 A 48 GLY CA C 13 42.0 0.2 A 48 GLY N N 15 112.6 0.2 A 49 GLU H H 1 8.51 0.02 A 49 GLU HA H 1 4.23 0.02 A 49 GLU HBy H 1 1.69 0.02 A 49 GLU HBx H 1 1.55 0.02 A 49 GLU HGy H 1 2.18 0.02 A 49 GLU HGx H 1 2.01 0.02 A 49 GLU C C 13 174.9 0.2 A 49 GLU CA C 13 56.3 0.2 A 49 GLU CB C 13 31.2 0.2 A 49 GLU CG C 13 34.9 0.2 A 49 GLU N N 15 120.6 0.2 A 50 ALA H H 1 9.44 0.02 A 50 ALA HA H 1 4.64 0.02 A 50 ALA HB% H 1 1.57 0.02 A 50 ALA C C 13 175.1 0.2 A 50 ALA CA C 13 51.4 0.2 A 50 ALA CB C 13 23.2 0.2 A 50 ALA N N 15 126.6 0.2 A 51 SER H H 1 8.95 0.02 A 51 SER HA H 1 4.74 0.02 A 51 SER HBy H 1 4.54 0.02 A 51 SER HBx H 1 4.19 0.02 A 51 SER C C 13 175.0 0.2 A 51 SER CA C 13 58.1 0.2 A 51 SER CB C 13 64.7 0.2 A 51 SER N N 15 115.1 0.2 A 52 ARG H H 1 9.54 0.02 A 52 ARG HA H 1 3.41 0.02 A 52 ARG HBx H 1 1.77 0.02 A 52 ARG HBy H 1 1.77 0.02 A 52 ARG HDy H 1 2.87 0.02 A 52 ARG HDx H 1 2.73 0.02 A 52 ARG HGy H 1 1.29 0.02 A 52 ARG HGx H 1 0.45 0.02 A 52 ARG C C 13 178.2 0.2 A 52 ARG CA C 13 61.0 0.2 A 52 ARG CB C 13 29.9 0.2 A 52 ARG CD C 13 42.8 0.2 A 52 ARG CG C 13 27.5 0.2 A 52 ARG N N 15 123.5 0.2 A 53 ALA H H 1 8.77 0.02 A 53 ALA HA H 1 4.03 0.02 A 53 ALA HB% H 1 1.44 0.02 A 53 ALA C C 13 181.0 0.2 A 53 ALA CA C 13 55.3 0.2 A 53 ALA CB C 13 18.1 0.2 A 53 ALA N N 15 118.0 0.2 A 54 SER H H 1 8.14 0.02 A 54 SER HA H 1 4.35 0.02 A 54 SER HBy H 1 4.29 0.02 A 54 SER HBx H 1 4.18 0.02 A 54 SER C C 13 177.5 0.2 A 54 SER CA C 13 61.9 0.2 A 54 SER CB C 13 63.1 0.2 A 54 SER N N 15 115.3 0.2 A 55 CYS H H 1 8.43 0.02 A 55 CYS HA H 1 4.16 0.02 A 55 CYS HBy H 1 3.24 0.02 A 55 CYS HBx H 1 2.49 0.02 A 55 CYS C C 13 176.3 0.2 A 55 CYS CA C 13 64.3 0.2 A 55 CYS CB C 13 27.0 0.2 A 55 CYS N N 15 121.9 0.2 A 56 VAL H H 1 8.75 0.02 A 56 VAL HA H 1 3.49 0.02 A 56 VAL HB H 1 2.08 0.02 A 56 VAL HGx% H 1 0.96 0.02 A 56 VAL HGy% H 1 0.91 0.02 A 56 VAL C C 13 177.8 0.2 A 56 VAL CA C 13 67.0 0.2 A 56 VAL CB C 13 31.6 0.2 A 56 VAL CGy C 13 23.3 0.2 A 56 VAL CGx C 13 21.2 0.2 A 56 VAL N N 15 121.1 0.2 A 57 GLU H H 1 7.78 0.02 A 57 GLU HA H 1 4.07 0.02 A 57 GLU HBx H 1 2.11 0.02 A 57 GLU HBy H 1 2.11 0.02 A 57 GLU HGy H 1 2.35 0.02 A 57 GLU HGx H 1 2.15 0.02 A 57 GLU C C 13 177.9 0.2 A 57 GLU CA C 13 59.3 0.2 A 57 GLU CB C 13 29.5 0.2 A 57 GLU CG C 13 36.4 0.2 A 57 GLU N N 15 119.2 0.2 A 58 TYR H H 1 7.70 0.02 A 58 TYR HA H 1 3.89 0.02 A 58 TYR HBy H 1 2.93 0.02 A 58 TYR HBx H 1 1.91 0.02 A 58 TYR HDx H 1 6.50 0.02 A 58 TYR HDy H 1 6.50 0.02 A 58 TYR HEx H 1 6.45 0.02 A 58 TYR HEy H 1 6.45 0.02 A 58 TYR CA C 13 62.2 0.2 A 58 TYR CB C 13 37.2 0.2 A 58 TYR CDx C 13 133.6 0.2 A 58 TYR CDy C 13 133.6 0.2 A 58 TYR CEx C 13 117.3 0.2 A 58 TYR CEy C 13 117.3 0.2 A 58 TYR N N 15 119.4 0.2 A 59 VAL H H 1 8.38 0.02 A 59 VAL HA H 1 3.36 0.02 A 59 VAL HB H 1 2.30 0.02 A 59 VAL HGx% H 1 1.12 0.02 A 59 VAL HGy% H 1 0.97 0.02 A 59 VAL C C 13 176.3 0.2 A 59 VAL CA C 13 67.4 0.2 A 59 VAL CB C 13 31.4 0.2 A 59 VAL CGy C 13 24.3 0.2 A 59 VAL CGx C 13 22.0 0.2 A 59 VAL N N 15 121.5 0.2 A 60 ASP H H 1 8.58 0.02 A 60 ASP HA H 1 4.41 0.02 A 60 ASP HBy H 1 2.77 0.02 A 60 ASP HBx H 1 2.63 0.02 A 60 ASP C C 13 178.3 0.2 A 60 ASP CA C 13 57.1 0.2 A 60 ASP CB C 13 40.6 0.2 A 60 ASP N N 15 120.0 0.2 A 61 GLN H H 1 7.81 0.02 A 61 GLN HA H 1 4.01 0.02 A 61 GLN HBy H 1 1.80 0.02 A 61 GLN HBx H 1 1.67 0.02 A 61 GLN HE2y H 1 7.46 0.02 A 61 GLN HE2x H 1 6.75 0.02 A 61 GLN HGy H 1 2.39 0.02 A 61 GLN HGx H 1 2.18 0.02 A 61 GLN C C 13 176.7 0.2 A 61 GLN CA C 13 56.7 0.2 A 61 GLN CB C 13 28.8 0.2 A 61 GLN CG C 13 33.6 0.2 A 61 GLN N N 15 114.5 0.2 A 61 GLN NE2 N 15 111.4 0.2 A 62 HIS H H 1 7.73 0.02 A 62 HIS HA H 1 4.38 0.02 A 62 HIS HBy H 1 2.93 0.02 A 62 HIS HBx H 1 2.20 0.02 A 62 HIS HE1 H 1 8.03 0.02 A 62 HIS CA C 13 57.3 0.2 A 62 HIS CB C 13 29.0 0.2 A 62 HIS CE1 C 13 136.2 0.2 A 62 HIS N N 15 115.1 0.2 A 63 TRP H H 1 8.18 0.02 A 63 TRP HD1 H 1 7.41 0.02 A 63 TRP HE1 H 1 10.36 0.02 A 63 TRP HE3 H 1 7.68 0.02 A 63 TRP HH2 H 1 7.19 0.02 A 63 TRP HZ2 H 1 7.53 0.02 A 63 TRP HZ3 H 1 7.08 0.02 A 63 TRP CA C 13 58.8 0.2 A 63 TRP CB C 13 29.7 0.2 A 63 TRP CD1 C 13 127.5 0.2 A 63 TRP CE3 C 13 121.5 0.2 A 63 TRP CH2 C 13 124.4 0.2 A 63 TRP CZ2 C 13 114.8 0.2 A 63 TRP CZ3 C 13 121.7 0.2 A 63 TRP N N 15 121.5 0.2 A 63 TRP NE1 N 15 130.1 0.2 A 64 THR H H 1 7.94 0.02 A 64 THR HA H 1 4.18 0.02 A 64 THR HB H 1 4.16 0.02 A 64 THR HG2% H 1 1.08 0.02 A 64 THR CA C 13 62.1 0.2 A 64 THR CB C 13 69.5 0.2 A 64 THR CG2 C 13 21.4 0.2 A 64 THR N N 15 114.9 0.2 A 65 ASP H H 1 8.34 0.02 A 65 ASP CA C 13 54.4 0.2 A 65 ASP CB C 13 41.1 0.2 A 65 ASP N N 15 122.9 0.2 A 66 ILE H H 1 8.25 0.02 A 66 ILE HA H 1 4.16 0.02 A 66 ILE HB H 1 1.85 0.02 A 66 ILE HD1% H 1 0.74 0.02 A 66 ILE HG1y H 1 1.44 0.02 A 66 ILE HG1x H 1 1.16 0.02 A 66 ILE HG2% H 1 0.88 0.02 A 66 ILE CA C 13 61.1 0.2 A 66 ILE CB C 13 38.5 0.2 A 66 ILE CD1 C 13 12.7 0.2 A 66 ILE CG1 C 13 27.3 0.2 A 66 ILE CG2 C 13 17.5 0.2 A 66 ILE N N 15 122.2 0.2 A 67 ARG H H 1 8.49 0.02 A 67 ARG CA C 13 53.9 0.2 A 67 ARG CB C 13 30.0 0.2 A 67 ARG N N 15 124.0 0.2 A 68 PRO HA H 1 4.44 0.02 A 68 PRO HBy H 1 2.32 0.02 A 68 PRO HBx H 1 1.91 0.02 A 68 PRO HDy H 1 3.89 0.02 A 68 PRO HDx H 1 3.60 0.02 A 68 PRO HGx H 1 2.04 0.02 A 68 PRO HGy H 1 2.04 0.02 A 68 PRO CA C 13 63.1 0.2 A 68 PRO CB C 13 32.1 0.2 A 68 PRO CD C 13 50.6 0.2 A 68 PRO CG C 13 27.6 0.2 A 69 LYS H H 1 8.27 0.02 A 69 LYS HA H 1 4.33 0.02 A 69 LYS HBy H 1 1.80 0.02 A 69 LYS HBx H 1 1.73 0.02 A 69 LYS HDx H 1 1.67 0.02 A 69 LYS HDy H 1 1.67 0.02 A 69 LYS HEx H 1 3.00 0.02 A 69 LYS HEy H 1 3.00 0.02 A 69 LYS HGy H 1 1.42 0.02 A 69 LYS HGx H 1 1.36 0.02 A 69 LYS C C 13 175.9 0.2 A 69 LYS CA C 13 56.3 0.2 A 69 LYS CB C 13 33.0 0.2 A 69 LYS CD C 13 29.0 0.2 A 69 LYS CE C 13 42.1 0.2 A 69 LYS CG C 13 24.8 0.2 A 70 SER H H 1 8.14 0.02 A 70 SER HA H 1 4.58 0.02 A 70 SER CA C 13 59.9 0.2 A 70 SER CB C 13 65.1 0.2 A 70 SER N N 15 122.3 0.2 A 75 LEU HA H 1 4.32 0.02 A 75 LEU HBy H 1 1.68 0.02 A 75 LEU HBx H 1 1.59 0.02 A 75 LEU HDx% H 1 0.86 0.02 A 75 LEU HDy% H 1 0.83 0.02 A 75 LEU HG H 1 1.67 0.02 A 75 LEU CA C 13 55.4 0.2 A 75 LEU CB C 13 42.1 0.2 A 75 LEU CDy C 13 25.0 0.2 A 75 LEU CDx C 13 23.2 0.2 A 75 LEU CG C 13 26.8 0.2 A 76 ALA H H 1 8.20 0.02 A 76 ALA HA H 1 4.33 0.02 A 76 ALA HB% H 1 1.43 0.02 A 76 ALA CA C 13 52.7 0.2 A 76 ALA CB C 13 19.0 0.2 A 76 ALA N N 15 124.0 0.2 A 77 SER H H 1 8.21 0.02 A 77 SER HA H 1 4.45 0.02 A 77 SER HBy H 1 3.92 0.02 A 77 SER HBx H 1 3.79 0.02 A 77 SER CA C 13 58.2 0.2 A 77 SER CB C 13 63.9 0.2 A 77 SER N N 15 114.1 0.2 A 78 GLY H H 1 8.39 0.02 A 78 GLY HAx H 1 4.05 0.02 A 78 GLY HAy H 1 4.05 0.02 A 78 GLY CA C 13 45.4 0.2 A 78 GLY N N 15 110.5 0.2 A 79 GLN H H 1 8.25 0.02 A 79 GLN CA C 13 55.6 0.2 A 79 GLN CB C 13 29.6 0.2 A 79 GLN CG C 13 33.8 0.2 A 79 GLN N N 15 119.6 0.2 A 80 GLY H H 1 8.15 0.02 A 80 GLY HAx H 1 3.76 0.02 A 80 GLY HAy H 1 3.76 0.02 A 80 GLY CA C 13 46.0 0.2 A 80 GLY N N 15 116.1 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _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 31 SER H A 32 LEU HA 1.0 1.8 4.94 2 2 A 31 SER H A 32 LEU HBy 1.0 1.8 5.33 3 3 A 32 LEU HBy A 33 TRP H 1.0 1.8 4.84 4 4 A 33 TRP H A 32 LEU HBx 1.0 1.8 5.10 5 5 A 32 LEU HBx A 20 PHE HDx 1.0 1.8 5.50 6 6 A 32 LEU HBy A 32 LEU HDy% 1.0 1.8 4.00 7 7 A 20 PHE HEx A 32 LEU HDx% 1.0 1.8 5.50 8 8 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 4.27 9 9 A 32 LEU HDx% A 55 CYS HBy 1.0 1.8 4.39 10 10 A 55 CYS HBx A 32 LEU HDx% 1.0 1.8 4.39 11 11 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 3.37 12 12 A 32 LEU HBy A 32 LEU HDx% 1.0 1.8 4.00 13 13 A 22 VAL HGy% A 32 LEU HDx% 1.0 1.8 3.83 14 14 A 32 LEU HA A 32 LEU HDy% 1.0 1.8 4.27 15 15 A 20 PHE HEx A 32 LEU HDy% 1.0 1.8 5.50 16 16 A 32 LEU HDy% A 55 CYS HBx 1.0 1.8 4.39 17 17 A 32 LEU HBx A 32 LEU HDy% 1.0 1.8 3.37 18 18 A 11 ASN H A 10 ASP HBx 1.0 1.8 4.85 19 19 A 11 ASN HA A 12 PRO HDy 1.0 1.8 3.53 20 20 A 11 ASN HA A 12 PRO HDx 1.0 1.8 3.53 21 21 A 11 ASN HA A 12 PRO HGy 1.0 1.8 4.93 22 22 A 11 ASN HA A 12 PRO HGx 1.0 1.8 4.93 23 23 A 13 PHE HA A 13 PHE HDx 1.0 1.8 4.96 24 24 A 13 PHE HA A 13 PHE HDy 1.0 1.8 5.50 25 25 A 14 ASP H A 14 ASP HBy 1.0 1.8 4.17 26 26 A 15 ASP H A 15 ASP HBy 1.0 1.8 4.15 27 27 A 15 ASP H A 15 ASP HBx 1.0 1.8 4.15 28 28 A 16 GLU HA A 16 GLU HGy 1.0 1.8 3.93 29 29 A 16 GLU H A 16 GLU HBy 1.0 1.8 3.97 30 30 A 16 GLU H A 16 GLU HBx 1.0 1.8 3.97 31 31 A 16 GLU H A 16 GLU HGy 1.0 1.8 4.31 32 32 A 16 GLU H A 16 GLU HGx 1.0 1.8 4.31 33 33 A 17 ASP H A 16 GLU HGx 1.0 1.8 4.93 34 34 A 16 GLU HA A 16 GLU HGx 1.0 1.8 3.93 35 35 A 17 ASP H A 17 ASP HBy 1.0 1.8 3.64 36 36 A 19 MET H A 18 GLY HAx 1.0 1.8 3.57 37 37 A 20 PHE HEy A 18 GLY HAx 1.0 1.8 4.98 38 38 A 20 PHE HEy A 18 GLY HAy 1.0 1.8 4.98 39 39 A 19 MET HBx A 35 THR HG2% 1.0 1.8 4.36 40 40 A 20 PHE HBy A 52 ARG HA 1.0 1.8 4.87 41 41 A 21 PHE HBx A 45 VAL HGy% 1.0 1.8 4.63 42 42 A 21 PHE HA A 21 PHE HDy 1.0 1.8 3.76 43 43 A 21 PHE HA A 45 VAL HGx% 1.0 1.8 5.18 44 44 A 22 VAL HB A 47 PHE HDx 1.0 1.8 4.55 45 45 A 22 VAL HGy% A 55 CYS H 1.0 1.8 4.89 46 46 A 22 VAL HGy% A 59 VAL H 1.0 1.8 5.04 47 47 A 22 VAL HGy% A 47 PHE HDx 1.0 1.8 3.93 48 48 A 22 VAL HGy% A 58 TYR HDx 1.0 1.8 3.57 49 49 A 22 VAL HGy% A 21 PHE HA 1.0 1.8 4.64 50 50 A 32 LEU HA A 22 VAL HGy% 1.0 1.8 4.38 51 51 A 22 VAL HGy% A 55 CYS HA 1.0 1.8 3.52 52 52 A 22 VAL HGy% A 55 CYS HBy 1.0 1.8 3.65 53 53 A 22 VAL HGy% A 58 TYR HBy 1.0 1.8 4.38 54 54 A 22 VAL HGy% A 21 PHE HBy 1.0 1.8 4.96 55 55 A 22 VAL HGy% A 55 CYS HBx 1.0 1.8 3.65 56 56 A 22 VAL HGy% A 47 PHE HBy 1.0 1.8 4.25 57 57 A 22 VAL HGy% A 32 LEU HDy% 1.0 1.8 3.83 58 58 A 21 PHE HDx A 23 LEU HA 1.0 1.8 5.50 59 59 A 23 LEU HA A 43 TRP HE3 1.0 1.8 5.50 60 60 A 23 LEU HA A 46 VAL HGx% 1.0 1.8 4.67 61 61 A 43 TRP HE3 A 23 LEU HBy 1.0 1.8 4.62 62 62 A 24 ILE H A 23 LEU HBx 1.0 1.8 5.27 63 63 A 24 ILE H A 23 LEU HBy 1.0 1.8 5.27 64 64 A 43 TRP HE3 A 23 LEU HBx 1.0 1.8 4.62 65 65 A 23 LEU H A 23 LEU HDx% 1.0 1.8 4.91 66 66 A 21 PHE HDx A 23 LEU HDx% 1.0 1.8 4.39 67 67 A 23 LEU HDx% A 33 TRP HBy 1.0 1.8 4.64 68 68 A 24 ILE H A 23 LEU HDy% 1.0 1.8 5.15 69 69 A 21 PHE HDx A 23 LEU HDy% 1.0 1.8 4.39 70 70 A 23 LEU HDy% A 33 TRP HBy 1.0 1.8 4.64 71 71 A 24 ILE HB A 44 ARG HGy 1.0 1.8 5.00 72 72 A 24 ILE H A 24 ILE HD1% 1.0 1.8 5.03 73 73 A 24 ILE HD1% A 25 ASN H 1.0 1.8 4.39 74 74 A 24 ILE HD1% A 24 ILE HA 1.0 1.8 4.31 75 75 A 24 ILE HD1% A 28 GLU HA 1.0 1.8 3.69 76 76 A 24 ILE HB A 24 ILE HD1% 1.0 1.8 3.44 77 77 A 24 ILE H A 24 ILE HG2% 1.0 1.8 4.14 78 78 A 24 ILE HG2% A 44 ARG H 1.0 1.8 5.09 79 79 A 24 ILE HG2% A 46 VAL HB 1.0 1.8 4.80 80 80 A 24 ILE HG2% A 44 ARG HGx 1.0 1.8 4.42 81 81 A 44 ARG HGy A 24 ILE HG2% 1.0 1.8 4.69 82 82 A 24 ILE HA A 43 TRP HZ3 1.0 1.8 4.53 83 83 A 43 TRP HE3 A 24 ILE HA 1.0 1.8 4.61 84 84 A 24 ILE HA A 30 HIS HA 1.0 1.8 4.06 85 85 A 24 ILE HA A 24 ILE HG2% 1.0 1.8 3.98 86 86 A 24 ILE HA A 24 ILE HG1x 1.0 1.8 4.05 87 87 A 24 ILE HA A 24 ILE HG1y 1.0 1.8 4.05 88 88 A 27 GLU H A 26 ASP HBx 1.0 1.8 4.82 89 89 A 27 GLU H A 26 ASP HBy 1.0 1.8 4.82 90 90 A 28 GLU HA A 24 ILE HG1x 1.0 1.8 4.42 91 91 A 28 GLU HA A 24 ILE HG1y 1.0 1.8 4.42 92 92 A 24 ILE HB A 28 GLU HA 1.0 1.8 5.50 93 93 A 28 GLU HA A 28 GLU HGx 1.0 1.8 4.25 94 94 A 28 GLU HA A 28 GLU HGy 1.0 1.8 4.25 95 95 A 43 TRP HH2 A 29 GLN HBy 1.0 1.8 4.98 96 96 A 43 TRP HH2 A 29 GLN HBx 1.0 1.8 4.98 97 97 A 25 ASN HBx A 29 GLN HBx 1.0 1.8 4.09 98 98 A 25 ASN HBx A 29 GLN HBy 1.0 1.8 4.09 99 99 A 23 LEU HDy% A 33 TRP HBx 1.0 1.8 4.64 100 100 A 21 PHE HBy A 33 TRP HBy 1.0 1.8 5.50 101 101 A 21 PHE HBy A 33 TRP HBx 1.0 1.8 5.50 102 102 A 33 TRP HBx A 23 LEU HDx% 1.0 1.8 4.64 103 103 A 20 PHE HBx A 34 PRO HA 1.0 1.8 4.85 104 104 A 34 PRO HA A 20 PHE HA 1.0 1.8 3.67 105 105 A 34 PRO HA A 20 PHE HDy 1.0 1.8 3.96 106 106 A 20 PHE HEy A 34 PRO HBy 1.0 1.8 4.37 107 107 A 20 PHE HEy A 34 PRO HBx 1.0 1.8 4.37 108 108 A 33 TRP HA A 34 PRO HGy 1.0 1.8 5.02 109 109 A 20 PHE HEy A 34 PRO HGx 1.0 1.8 5.50 110 110 A 33 TRP HA A 34 PRO HDx 1.0 1.8 4.02 111 111 A 33 TRP HA A 34 PRO HDy 1.0 1.8 3.58 112 112 A 34 PRO HDy A 33 TRP HD1 1.0 1.8 4.88 113 113 A 21 PHE HEy A 35 THR HB 1.0 1.8 4.41 114 114 A 35 THR HG2% A 35 THR HA 1.0 1.8 3.41 115 115 A 21 PHE HEy A 35 THR HA 1.0 1.8 3.67 116 116 A 21 PHE HDy A 35 THR HA 1.0 1.8 4.44 117 117 A 35 THR HG2% A 35 THR H 1.0 1.8 3.29 118 118 A 35 THR HG2% A 21 PHE HEy 1.0 1.8 3.81 119 119 A 35 THR HG2% A 49 GLU H 1.0 1.8 4.87 120 120 A 35 THR HG2% A 20 PHE H 1.0 1.8 4.64 121 121 A 35 THR HG2% A 21 PHE H 1.0 1.8 4.21 122 122 A 35 THR HG2% A 20 PHE HA 1.0 1.8 3.70 123 123 A 35 THR HG2% A 34 PRO HA 1.0 1.8 4.07 124 124 A 35 THR HG2% A 49 GLU HA 1.0 1.8 4.06 125 125 A 35 THR HG2% A 21 PHE HDy 1.0 1.8 3.92 126 126 A 35 THR HG2% A 49 GLU HGy 1.0 1.8 4.58 127 127 A 35 THR HG2% A 19 MET HBy 1.0 1.8 3.77 128 128 A 35 THR HG2% A 49 GLU HBy 1.0 1.8 4.02 129 129 A 35 THR HG2% A 49 GLU HBx 1.0 1.8 4.02 130 130 A 37 ALA HB% A 38 ASP H 1.0 1.8 3.99 131 131 A 37 ALA HB% A 33 TRP HZ2 1.0 1.8 4.01 132 132 A 34 PRO HDy A 37 ALA HB% 1.0 1.8 4.26 133 133 A 34 PRO HGy A 37 ALA HB% 1.0 1.8 3.56 134 134 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.76 135 135 A 38 ASP HA A 39 VAL HB 1.0 1.8 4.84 136 136 A 39 VAL HA A 40 PRO HDy 1.0 1.8 3.31 137 137 A 39 VAL HA A 40 PRO HDx 1.0 1.8 3.26 138 138 A 39 VAL H A 39 VAL HGy% 1.0 1.8 3.82 139 139 A 39 VAL HA A 39 VAL HGy% 1.0 1.8 3.40 140 140 A 40 PRO HDx A 39 VAL HGy% 1.0 1.8 4.58 141 141 A 40 PRO HDy A 39 VAL HGy% 1.0 1.8 3.84 142 142 A 45 VAL HGy% A 39 VAL HGy% 1.0 1.8 3.68 143 143 A 39 VAL HA A 39 VAL HGx% 1.0 1.8 3.40 144 144 A 40 PRO HDy A 39 VAL HGx% 1.0 1.8 3.84 145 145 A 40 PRO HDx A 39 VAL HGx% 1.0 1.8 4.58 146 146 A 40 PRO HA A 41 ALA HB% 1.0 1.8 4.05 147 147 A 40 PRO HBx A 41 ALA H 1.0 1.8 4.17 148 148 A 40 PRO HBx A 43 TRP HD1 1.0 1.8 4.52 149 149 A 39 VAL HA A 40 PRO HGx 1.0 1.8 5.20 150 150 A 39 VAL HA A 40 PRO HGy 1.0 1.8 5.50 151 151 A 40 PRO HDy A 21 PHE HEx 1.0 1.8 5.50 152 152 A 33 TRP HZ2 A 40 PRO HDy 1.0 1.8 5.50 153 153 A 33 TRP HZ2 A 40 PRO HDx 1.0 1.8 5.06 154 154 A 40 PRO HDy A 33 TRP HE1 1.0 1.8 4.99 155 155 A 41 ALA HB% A 42 GLY H 1.0 1.8 3.64 156 156 A 43 TRP HD1 A 42 GLY HAx 1.0 1.8 5.10 157 157 A 43 TRP HD1 A 42 GLY HAy 1.0 1.8 5.10 158 158 A 44 ARG H A 43 TRP HBy 1.0 1.8 4.63 159 159 A 44 ARG H A 43 TRP HBx 1.0 1.8 4.63 160 160 A 44 ARG HBx A 45 VAL H 1.0 1.8 3.59 161 161 A 24 ILE H A 44 ARG HBx 1.0 1.8 5.50 162 162 A 46 VAL HGx% A 44 ARG HBx 1.0 1.8 4.80 163 163 A 24 ILE HG2% A 44 ARG HBx 1.0 1.8 4.36 164 164 A 24 ILE HG2% A 44 ARG HBy 1.0 1.8 4.64 165 165 A 44 ARG HGy A 44 ARG H 1.0 1.8 4.28 166 166 A 44 ARG HGy A 45 VAL H 1.0 1.8 5.12 167 167 A 44 ARG HGx A 44 ARG HA 1.0 1.8 4.13 168 168 A 44 ARG HGy A 44 ARG HA 1.0 1.8 4.19 169 169 A 44 ARG HGy A 24 ILE HD1% 1.0 1.8 4.61 170 170 A 44 ARG H A 44 ARG HDx 1.0 1.8 5.50 171 171 A 44 ARG H A 44 ARG HDy 1.0 1.8 5.50 172 172 A 46 VAL HGx% A 44 ARG HDx 1.0 1.8 5.50 173 173 A 46 VAL HGx% A 44 ARG HDy 1.0 1.8 5.50 174 174 A 45 VAL HA A 47 PHE H 1.0 1.8 4.00 175 175 A 24 ILE H A 45 VAL HA 1.0 1.8 4.58 176 176 A 23 LEU HA A 45 VAL HA 1.0 1.8 3.59 177 177 A 45 VAL HA A 23 LEU HG 1.0 1.8 4.13 178 178 A 46 VAL HGx% A 45 VAL HA 1.0 1.8 4.05 179 179 A 44 ARG HA A 45 VAL HB 1.0 1.8 4.81 180 180 A 45 VAL HGx% A 46 VAL H 1.0 1.8 3.38 181 181 A 45 VAL HGx% A 22 VAL H 1.0 1.8 3.98 182 182 A 45 VAL HGx% A 45 VAL H 1.0 1.8 4.36 183 183 A 45 VAL HGx% A 47 PHE H 1.0 1.8 3.19 184 184 A 45 VAL HGx% A 21 PHE HDx 1.0 1.8 3.73 185 185 A 45 VAL HGx% A 23 LEU HA 1.0 1.8 3.88 186 186 A 45 VAL HGx% A 46 VAL HA 1.0 1.8 4.04 187 187 A 45 VAL HGx% A 47 PHE HA 1.0 1.8 4.69 188 188 A 45 VAL HGx% A 45 VAL HA 1.0 1.8 3.34 189 189 A 21 PHE HBx A 45 VAL HGx% 1.0 1.8 3.57 190 190 A 45 VAL HGx% A 21 PHE HBy 1.0 1.8 3.98 191 191 A 45 VAL HGy% A 46 VAL H 1.0 1.8 4.26 192 192 A 45 VAL HGy% A 21 PHE HEx 1.0 1.8 4.59 193 193 A 45 VAL HGy% A 21 PHE HDx 1.0 1.8 3.86 194 194 A 45 VAL HGy% A 23 LEU HA 1.0 1.8 4.16 195 195 A 45 VAL HGy% A 44 ARG HA 1.0 1.8 3.88 196 196 A 45 VAL HGy% A 45 VAL HA 1.0 1.8 3.21 197 197 A 45 VAL HGy% A 21 PHE HBy 1.0 1.8 4.08 198 198 A 45 VAL HGy% A 39 VAL HGx% 1.0 1.8 3.68 199 199 A 46 VAL HGx% A 25 ASN H 1.0 1.8 5.50 200 200 A 58 TYR HDx A 46 VAL HGx% 1.0 1.8 5.50 201 201 A 46 VAL HGx% A 46 VAL HA 1.0 1.8 3.17 202 202 A 22 VAL HB A 46 VAL HGx% 1.0 1.8 4.58 203 203 A 46 VAL HGx% A 24 ILE HB 1.0 1.8 3.82 204 204 A 46 VAL HGx% A 44 ARG HGx 1.0 1.8 4.35 205 205 A 46 VAL HGx% A 44 ARG HGy 1.0 1.8 3.88 206 206 A 46 VAL HGx% A 24 ILE HG2% 1.0 1.8 3.02 207 207 A 46 VAL H A 46 VAL HGy% 1.0 1.8 3.28 208 208 A 47 PHE H A 46 VAL HGy% 1.0 1.8 3.68 209 209 A 46 VAL HGy% A 58 TYR HEx 1.0 1.8 3.61 210 210 A 23 LEU HA A 46 VAL HGy% 1.0 1.8 4.23 211 211 A 46 VAL HA A 46 VAL HGy% 1.0 1.8 3.76 212 212 A 45 VAL HA A 46 VAL HGy% 1.0 1.8 4.33 213 213 A 22 VAL HB A 46 VAL HGy% 1.0 1.8 3.54 214 214 A 24 ILE HB A 46 VAL HGy% 1.0 1.8 3.85 215 215 A 47 PHE HA A 48 GLY H 1.0 1.8 3.28 216 216 A 47 PHE HA A 47 PHE HDy 1.0 1.8 3.82 217 217 A 47 PHE HA A 48 GLY HAx 1.0 1.8 5.13 218 218 A 47 PHE HA A 48 GLY HAy 1.0 1.8 5.49 219 219 A 22 VAL HGy% A 47 PHE HBx 1.0 1.8 4.25 220 220 A 21 PHE HDy A 48 GLY HAx 1.0 1.8 4.44 221 221 A 47 PHE HDy A 48 GLY HAy 1.0 1.8 4.70 222 222 A 21 PHE HA A 48 GLY HAx 1.0 1.8 4.17 223 223 A 49 GLU HA A 48 GLY HAx 1.0 1.8 4.42 224 224 A 21 PHE HEy A 49 GLU HA 1.0 1.8 4.64 225 225 A 21 PHE HDy A 49 GLU HA 1.0 1.8 4.03 226 226 A 21 PHE HA A 49 GLU HA 1.0 1.8 4.44 227 227 A 50 ALA H A 49 GLU HBx 1.0 1.8 4.52 228 228 A 21 PHE HEy A 49 GLU HBy 1.0 1.8 5.07 229 229 A 21 PHE HEy A 49 GLU HBx 1.0 1.8 5.07 230 230 A 49 GLU H A 49 GLU HGy 1.0 1.8 3.70 231 231 A 35 THR HG2% A 49 GLU HGx 1.0 1.8 4.58 232 232 A 47 PHE HDy A 50 ALA HB% 1.0 1.8 3.93 233 233 A 50 ALA HB% A 54 SER HBx 1.0 1.8 3.64 234 234 A 50 ALA HB% A 54 SER HBy 1.0 1.8 3.64 235 235 A 52 ARG H A 51 SER HBx 1.0 1.8 4.37 236 236 A 20 PHE HDx A 52 ARG HA 1.0 1.8 4.14 237 237 A 52 ARG HA A 56 VAL H 1.0 1.8 4.94 238 238 A 52 ARG HA A 52 ARG HGy 1.0 1.8 3.97 239 239 A 52 ARG HA A 52 ARG HGx 1.0 1.8 3.97 240 240 A 20 PHE HEx A 52 ARG HBx 1.0 1.8 4.42 241 241 A 52 ARG HBx A 52 ARG HDy 1.0 1.8 3.84 242 242 A 52 ARG HBx A 52 ARG HDx 1.0 1.8 3.84 243 243 A 20 PHE HEx A 52 ARG HDy 1.0 1.8 4.58 244 244 A 20 PHE HEx A 52 ARG HDx 1.0 1.8 4.58 245 245 A 53 ALA HA A 57 GLU H 1.0 1.8 4.74 246 246 A 53 ALA HA A 56 VAL HB 1.0 1.8 3.30 247 247 A 53 ALA HA A 52 ARG HBy 1.0 1.8 4.63 248 248 A 53 ALA HA A 56 VAL HGy% 1.0 1.8 3.53 249 249 A 53 ALA HB% A 54 SER HA 1.0 1.8 4.25 250 250 A 56 VAL HB A 53 ALA HB% 1.0 1.8 4.31 251 251 A 54 SER H A 54 SER HBy 1.0 1.8 3.80 252 252 A 51 SER H A 54 SER HBx 1.0 1.8 5.23 253 253 A 51 SER H A 54 SER HBy 1.0 1.8 5.23 254 254 A 56 VAL H A 54 SER HA 1.0 1.8 4.90 255 255 A 52 ARG HA A 55 CYS HBx 1.0 1.8 4.51 256 256 A 52 ARG HA A 55 CYS HBy 1.0 1.8 4.51 257 257 A 56 VAL HGy% A 55 CYS HBx 1.0 1.8 4.97 258 258 A 32 LEU HDy% A 55 CYS HBy 1.0 1.8 4.39 259 259 A 56 VAL HGy% A 55 CYS HBy 1.0 1.8 4.97 260 260 A 47 PHE HDx A 55 CYS HA 1.0 1.8 4.82 261 261 A 58 TYR HDx A 55 CYS HA 1.0 1.8 5.10 262 262 A 55 CYS HA A 58 TYR HBy 1.0 1.8 4.13 263 263 A 55 CYS HA A 58 TYR HBx 1.0 1.8 4.13 264 264 A 59 VAL H A 56 VAL HA 1.0 1.8 4.25 265 265 A 53 ALA HA A 56 VAL HA 1.0 1.8 5.50 266 266 A 56 VAL HA A 59 VAL HB 1.0 1.8 3.55 267 267 A 56 VAL HA A 59 VAL HGy% 1.0 1.8 3.78 268 268 A 56 VAL HGy% A 56 VAL HA 1.0 1.8 2.95 269 269 A 56 VAL HA A 32 LEU HDy% 1.0 1.8 5.50 270 270 A 56 VAL HA A 32 LEU HDx% 1.0 1.8 5.50 271 271 A 57 GLU H A 56 VAL HB 1.0 1.8 3.75 272 272 A 55 CYS H A 56 VAL HGy% 1.0 1.8 4.63 273 273 A 57 GLU H A 56 VAL HGx% 1.0 1.8 4.05 274 274 A 56 VAL H A 56 VAL HGx% 1.0 1.8 3.77 275 275 A 56 VAL HGx% A 57 GLU HA 1.0 1.8 3.68 276 276 A 56 VAL HA A 56 VAL HGx% 1.0 1.8 3.18 277 277 A 57 GLU HA A 60 ASP HBy 1.0 1.8 3.73 278 278 A 57 GLU HA A 60 ASP HBx 1.0 1.8 3.73 279 279 A 57 GLU HA A 57 GLU HGx 1.0 1.8 3.73 280 280 A 57 GLU HA A 57 GLU HGy 1.0 1.8 3.73 281 281 A 58 TYR HA A 58 TYR HDy 1.0 1.8 3.98 282 282 A 59 VAL H A 58 TYR HBx 1.0 1.8 4.57 283 283 A 58 TYR H A 58 TYR HBx 1.0 1.8 3.85 284 284 A 59 VAL H A 58 TYR HBy 1.0 1.8 4.57 285 285 A 22 VAL HGy% A 58 TYR HBx 1.0 1.8 4.38 286 286 A 58 TYR HDx A 59 VAL HA 1.0 1.8 4.46 287 287 A 59 VAL H A 59 VAL HB 1.0 1.8 3.69 288 288 A 59 VAL H A 59 VAL HGy% 1.0 1.8 3.54 289 289 A 59 VAL HGy% A 58 TYR H 1.0 1.8 4.56 290 290 A 58 TYR HDx A 59 VAL HGy% 1.0 1.8 3.68 291 291 A 59 VAL HGy% A 59 VAL HA 1.0 1.8 3.59 292 292 A 59 VAL HA A 59 VAL HGx% 1.0 1.8 3.93 293 293 A 59 VAL H A 59 VAL HGx% 1.0 1.8 4.72 294 294 A 59 VAL HGx% A 60 ASP HA 1.0 1.8 4.56 295 295 A 61 GLN H A 60 ASP HBx 1.0 1.8 4.16 296 296 A 61 GLN H A 60 ASP HBy 1.0 1.8 4.16 297 297 A 61 GLN HA A 61 GLN HGx 1.0 1.8 3.82 298 298 A 61 GLN H A 61 GLN HBx 1.0 1.8 3.99 299 299 A 61 GLN H A 61 GLN HGy 1.0 1.8 4.09 300 300 A 61 GLN H A 61 GLN HGx 1.0 1.8 4.09 301 301 A 61 GLN HA A 61 GLN HGy 1.0 1.8 3.82 302 302 A 64 THR H A 64 THR HG2% 1.0 1.8 3.90 303 303 A 64 THR HG2% A 64 THR HA 1.0 1.8 3.08 304 304 A 66 ILE HA A 66 ILE HG1y 1.0 1.8 4.06 305 305 A 66 ILE HA A 66 ILE HG1x 1.0 1.8 4.06 306 306 A 66 ILE HA A 66 ILE HG2% 1.0 1.8 3.46 307 307 A 66 ILE HA A 66 ILE HD1% 1.0 1.8 4.16 308 308 A 66 ILE H A 66 ILE HG1x 1.0 1.8 4.43 309 309 A 66 ILE HG2% A 66 ILE HG1x 1.0 1.8 3.99 310 310 A 66 ILE HG2% A 66 ILE HG1y 1.0 1.8 3.99 311 311 A 66 ILE HD1% A 66 ILE HB 1.0 1.8 3.64 312 312 A 27 GLU HA A 68 PRO HDy 1.0 1.8 4.41 313 313 A 27 GLU HA A 68 PRO HDx 1.0 1.8 3.41 314 314 A 76 ALA HB% A 77 SER H 1.0 1.8 4.39 315 315 A 51 SER H A 19 MET HE% 1.0 1.8 3.87 316 316 A 50 ALA H A 19 MET HE% 1.0 1.8 4.47 317 317 A 19 MET H A 19 MET HE% 1.0 1.8 5.07 318 318 A 19 MET HE% A 50 ALA HA 1.0 1.8 3.29 319 319 A 76 ALA H A 75 LEU HBx 1.0 1.8 4.17 320 320 A 76 ALA H A 75 LEU HBy 1.0 1.8 4.17 321 321 A 75 LEU HA A 75 LEU HDx% 1.0 1.8 4.70 322 322 A 75 LEU HA A 75 LEU HDy% 1.0 1.8 4.70 323 323 A 75 LEU HA A 75 LEU HG 1.0 1.8 4.06 324 324 A 21 PHE HDx A 23 LEU HG 1.0 1.8 4.63 325 325 A 76 ALA H A 75 LEU HG 1.0 1.8 4.23 326 326 A 47 PHE HDx A 22 VAL HGx% 1.0 1.8 4.93 327 327 A 47 PHE H A 22 VAL HGx% 1.0 1.8 4.44 328 328 A 58 TYR HDx A 22 VAL HGx% 1.0 1.8 3.06 329 329 A 30 HIS HA A 22 VAL HGx% 1.0 1.8 4.71 330 330 A 23 LEU HA A 22 VAL HGx% 1.0 1.8 4.70 331 331 A 32 LEU HA A 22 VAL HGx% 1.0 1.8 4.74 332 332 A 59 VAL HA A 22 VAL HGx% 1.0 1.8 4.77 333 333 A 46 VAL HB A 22 VAL HGx% 1.0 1.8 5.47 334 334 A 32 LEU HBy A 22 VAL HGx% 1.0 1.8 4.65 335 335 A 22 VAL HGx% A 32 LEU HDy% 1.0 1.8 5.41 336 336 A 22 VAL HGx% A 32 LEU HDx% 1.0 1.8 5.41 337 337 A 23 LEU H A 22 VAL HGx% 1.0 1.8 3.63 338 338 A 31 SER H A 22 VAL HGx% 1.0 1.8 4.26 339 339 A 22 VAL H A 22 VAL HGx% 1.0 1.8 4.40 340 340 A 30 HIS HA A 59 VAL HGy% 1.0 1.8 5.50 341 341 A 24 ILE HD1% A 30 HIS HA 1.0 1.8 5.18 342 342 A 43 TRP HZ3 A 30 HIS HA 1.0 1.8 5.00 343 343 A 22 VAL HGx% A 30 HIS HBx 1.0 1.8 5.50 344 344 A 59 VAL HGy% A 30 HIS HBx 1.0 1.8 5.50 345 345 A 22 VAL HGx% A 30 HIS HBy 1.0 1.8 5.50 346 346 A 59 VAL HGy% A 30 HIS HBy 1.0 1.8 5.50 347 347 A 29 GLN H A 29 GLN HGy 1.0 1.8 4.71 348 348 A 29 GLN H A 29 GLN HGx 1.0 1.8 4.71 349 349 A 69 LYS HBy A 69 LYS HEx 1.0 1.8 5.50 350 350 A 69 LYS HBy A 69 LYS HEy 1.0 1.8 5.50 351 351 A 69 LYS HEx A 69 LYS HBx 1.0 1.8 5.50 352 352 A 69 LYS HBx A 69 LYS HEy 1.0 1.8 5.50 353 353 A 69 LYS HA A 69 LYS HDx 1.0 1.8 4.43 354 354 A 69 LYS HA A 69 LYS HDy 1.0 1.8 4.43 355 355 A 25 ASN HBy A 26 ASP H 1.0 1.8 4.33 356 356 A 43 TRP HE3 A 25 ASN HBx 1.0 1.8 5.16 357 357 A 43 TRP HE3 A 25 ASN HBy 1.0 1.8 4.86 358 358 A 43 TRP HD1 A 40 PRO HGx 1.0 1.8 3.87 359 359 A 43 TRP HD1 A 40 PRO HBy 1.0 1.8 3.54 360 360 A 40 PRO HDy A 43 TRP HD1 1.0 1.8 5.26 361 361 A 33 TRP HZ2 A 40 PRO HBx 1.0 1.8 4.38 362 362 A 33 TRP HZ2 A 40 PRO HGy 1.0 1.8 4.26 363 363 A 47 PHE HDx A 58 TYR HEx 1.0 1.8 4.92 364 364 A 47 PHE HDx A 58 TYR HEy 1.0 1.8 5.25 365 365 A 22 VAL HB A 58 TYR HEx 1.0 1.8 4.65 366 366 A 46 VAL HGx% A 58 TYR HEx 1.0 1.8 3.97 367 367 A 22 VAL HB A 58 TYR HDx 1.0 1.8 3.50 368 368 A 47 PHE HDx A 58 TYR HDx 1.0 1.8 4.25 369 369 A 47 PHE HDx A 58 TYR HDy 1.0 1.8 4.54 370 370 A 34 PRO HA A 21 PHE HEy 1.0 1.8 5.24 371 371 A 20 PHE HDx A 52 ARG HBx 1.0 1.8 4.10 372 372 A 36 PHE HA A 36 PHE HDx 1.0 1.8 4.55 373 373 A 36 PHE HA A 36 PHE HDy 1.0 1.8 5.01 374 374 A 11 ASN H A 10 ASP HA 1.0 1.8 3.55 375 375 A 11 ASN H A 10 ASP HBy 1.0 1.8 4.85 376 376 A 13 PHE HDy A 13 PHE H 1.0 1.8 4.34 377 377 A 13 PHE H A 13 PHE HBy 1.0 1.8 3.98 378 378 A 13 PHE H A 13 PHE HBx 1.0 1.8 3.98 379 379 A 14 ASP H A 14 ASP HBx 1.0 1.8 4.17 380 380 A 15 ASP H A 16 GLU H 1.0 1.8 4.98 381 381 A 16 GLU H A 15 ASP HA 1.0 1.8 3.41 382 382 A 17 ASP H A 15 ASP HA 1.0 1.8 4.57 383 383 A 16 GLU HA A 17 ASP H 1.0 1.8 3.56 384 384 A 17 ASP H A 17 ASP HBx 1.0 1.8 3.64 385 385 A 17 ASP H A 16 GLU HBy 1.0 1.8 4.22 386 386 A 17 ASP H A 16 GLU HBx 1.0 1.8 4.22 387 387 A 17 ASP H A 16 GLU HGy 1.0 1.8 4.93 388 388 A 18 GLY H A 17 ASP HBx 1.0 1.8 4.14 389 389 A 18 GLY H A 17 ASP HBy 1.0 1.8 4.14 390 390 A 16 GLU HA A 18 GLY H 1.0 1.8 4.78 391 391 A 18 GLY H A 17 ASP HA 1.0 1.8 3.57 392 392 A 20 PHE HEy A 18 GLY H 1.0 1.8 4.53 393 393 A 17 ASP H A 18 GLY H 1.0 1.8 3.24 394 394 A 19 MET H A 19 MET HBx 1.0 1.8 3.82 395 395 A 19 MET H A 19 MET HBy 1.0 1.8 3.47 396 396 A 19 MET H A 19 MET HGx 1.0 1.8 3.93 397 397 A 19 MET H A 19 MET HGy 1.0 1.8 3.93 398 398 A 19 MET H A 18 GLY HAy 1.0 1.8 3.57 399 399 A 19 MET H A 20 PHE H 1.0 1.8 4.66 400 400 A 19 MET H A 18 GLY H 1.0 1.8 4.70 401 401 A 19 MET HBx A 20 PHE H 1.0 1.8 4.03 402 402 A 20 PHE H A 19 MET HBy 1.0 1.8 4.52 403 403 A 20 PHE HBy A 20 PHE H 1.0 1.8 3.81 404 404 A 20 PHE H A 19 MET HA 1.0 1.8 3.21 405 405 A 20 PHE HDx A 20 PHE H 1.0 1.8 4.16 406 406 A 20 PHE HDy A 20 PHE H 1.0 1.8 4.57 407 407 A 21 PHE HBy A 21 PHE H 1.0 1.8 3.64 408 408 A 20 PHE HBx A 21 PHE H 1.0 1.8 3.51 409 409 A 20 PHE HBy A 21 PHE H 1.0 1.8 3.80 410 410 A 21 PHE HBx A 21 PHE H 1.0 1.8 4.02 411 411 A 34 PRO HA A 21 PHE H 1.0 1.8 4.47 412 412 A 20 PHE HA A 21 PHE H 1.0 1.8 3.12 413 413 A 20 PHE HDy A 21 PHE H 1.0 1.8 4.60 414 414 A 21 PHE HDx A 21 PHE H 1.0 1.8 4.73 415 415 A 21 PHE HDy A 21 PHE H 1.0 1.8 5.00 416 416 A 33 TRP H A 21 PHE H 1.0 1.8 3.96 417 417 A 46 VAL HGx% A 22 VAL H 1.0 1.8 5.50 418 418 A 22 VAL HGy% A 22 VAL H 1.0 1.8 3.58 419 419 A 22 VAL HB A 22 VAL H 1.0 1.8 3.47 420 420 A 21 PHE HBy A 22 VAL H 1.0 1.8 3.94 421 421 A 21 PHE HBx A 22 VAL H 1.0 1.8 3.71 422 422 A 21 PHE HA A 22 VAL H 1.0 1.8 3.04 423 423 A 23 LEU H A 22 VAL H 1.0 1.8 4.94 424 424 A 31 SER H A 23 LEU H 1.0 1.8 3.85 425 425 A 32 LEU HA A 23 LEU H 1.0 1.8 4.48 426 426 A 23 LEU H A 23 LEU HG 1.0 1.8 4.28 427 427 A 22 VAL HGy% A 23 LEU H 1.0 1.8 4.27 428 428 A 23 LEU H A 23 LEU HDy% 1.0 1.8 4.91 429 429 A 23 LEU HA A 24 ILE H 1.0 1.8 3.38 430 430 A 43 TRP HE3 A 24 ILE H 1.0 1.8 4.83 431 431 A 24 ILE H A 23 LEU HG 1.0 1.8 5.12 432 432 A 24 ILE H A 44 ARG HBy 1.0 1.8 5.50 433 433 A 24 ILE H A 44 ARG HGy 1.0 1.8 4.77 434 434 A 24 ILE H A 44 ARG HGx 1.0 1.8 4.45 435 435 A 46 VAL HGx% A 24 ILE H 1.0 1.8 4.43 436 436 A 24 ILE H A 23 LEU HDx% 1.0 1.8 5.15 437 437 A 25 ASN H A 43 TRP HZ3 1.0 1.8 4.91 438 438 A 25 ASN H A 24 ILE HA 1.0 1.8 3.40 439 439 A 25 ASN HBx A 26 ASP H 1.0 1.8 3.57 440 440 A 26 ASP H A 26 ASP HBx 1.0 1.8 3.77 441 441 A 26 ASP H A 26 ASP HBy 1.0 1.8 3.77 442 442 A 27 GLU H A 26 ASP H 1.0 1.8 3.81 443 443 A 28 GLU HA A 27 GLU H 1.0 1.8 5.10 444 444 A 27 GLU H A 27 GLU HBy 1.0 1.8 4.03 445 445 A 27 GLU H A 27 GLU HGx 1.0 1.8 4.54 446 446 A 27 GLU H A 27 GLU HGy 1.0 1.8 4.54 447 447 A 27 GLU H A 27 GLU HBx 1.0 1.8 4.03 448 448 A 27 GLU H A 28 GLU H 1.0 1.8 3.30 449 449 A 28 GLU H A 26 ASP HA 1.0 1.8 4.40 450 450 A 28 GLU H A 28 GLU HGx 1.0 1.8 4.18 451 451 A 28 GLU H A 28 GLU HGy 1.0 1.8 4.18 452 452 A 24 ILE HD1% A 28 GLU H 1.0 1.8 4.54 453 453 A 25 ASN H A 29 GLN H 1.0 1.8 4.11 454 454 A 29 GLN H A 28 GLU H 1.0 1.8 3.49 455 455 A 29 GLN H A 29 GLN HBx 1.0 1.8 4.14 456 456 A 29 GLN H A 29 GLN HBy 1.0 1.8 4.14 457 457 A 25 ASN HBx A 29 GLN H 1.0 1.8 3.75 458 458 A 31 SER H A 30 HIS HA 1.0 1.8 3.52 459 459 A 31 SER H A 59 VAL HGy% 1.0 1.8 5.37 460 460 A 33 TRP H A 23 LEU HG 1.0 1.8 5.19 461 461 A 35 THR H A 21 PHE H 1.0 1.8 4.96 462 462 A 20 PHE HA A 35 THR H 1.0 1.8 3.70 463 463 A 34 PRO HA A 35 THR H 1.0 1.8 3.07 464 464 A 34 PRO HGy A 35 THR H 1.0 1.8 4.54 465 465 A 36 PHE H A 34 PRO HBx 1.0 1.8 4.87 466 466 A 34 PRO HGy A 36 PHE H 1.0 1.8 4.64 467 467 A 34 PRO HGx A 36 PHE H 1.0 1.8 5.42 468 468 A 37 ALA HB% A 36 PHE H 1.0 1.8 5.50 469 469 A 36 PHE H A 34 PRO HBy 1.0 1.8 4.87 470 470 A 36 PHE H A 36 PHE HBx 1.0 1.8 3.82 471 471 A 36 PHE H A 36 PHE HBy 1.0 1.8 3.82 472 472 A 34 PRO HA A 36 PHE H 1.0 1.8 4.12 473 473 A 36 PHE H A 37 ALA H 1.0 1.8 3.44 474 474 A 36 PHE HDx A 36 PHE H 1.0 1.8 3.87 475 475 A 36 PHE HDy A 36 PHE H 1.0 1.8 4.12 476 476 A 35 THR H A 36 PHE H 1.0 1.8 3.75 477 477 A 33 TRP HE1 A 37 ALA H 1.0 1.8 5.50 478 478 A 34 PRO HA A 37 ALA H 1.0 1.8 5.36 479 479 A 37 ALA HB% A 37 ALA H 1.0 1.8 3.15 480 480 A 34 PRO HGy A 37 ALA H 1.0 1.8 4.50 481 481 A 38 ASP H A 37 ALA HA 1.0 1.8 3.43 482 482 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.76 483 483 A 39 VAL H A 39 VAL HGx% 1.0 1.8 3.82 484 484 A 39 VAL HB A 39 VAL H 1.0 1.8 2.88 485 485 A 38 ASP HA A 39 VAL H 1.0 1.8 2.73 486 486 A 41 ALA HB% A 41 ALA H 1.0 1.8 2.77 487 487 A 41 ALA H A 40 PRO HBy 1.0 1.8 4.02 488 488 A 40 PRO HA A 41 ALA H 1.0 1.8 2.79 489 489 A 42 GLY H A 41 ALA HA 1.0 1.8 3.04 490 490 A 42 GLY H A 43 TRP H 1.0 1.8 3.67 491 491 A 44 ARG H A 43 TRP H 1.0 1.8 4.62 492 492 A 43 TRP HD1 A 43 TRP H 1.0 1.8 3.61 493 493 A 41 ALA HA A 43 TRP H 1.0 1.8 4.01 494 494 A 43 TRP H A 43 TRP HBy 1.0 1.8 3.94 495 495 A 43 TRP H A 43 TRP HBx 1.0 1.8 3.94 496 496 A 40 PRO HDy A 43 TRP H 1.0 1.8 5.13 497 497 A 41 ALA HB% A 43 TRP H 1.0 1.8 4.54 498 498 A 40 PRO HGx A 43 TRP H 1.0 1.8 4.84 499 499 A 24 ILE H A 44 ARG H 1.0 1.8 3.54 500 500 A 43 TRP HE3 A 44 ARG H 1.0 1.8 4.94 501 501 A 23 LEU HA A 44 ARG H 1.0 1.8 5.32 502 502 A 24 ILE HA A 44 ARG H 1.0 1.8 5.50 503 503 A 44 ARG H A 43 TRP HA 1.0 1.8 3.18 504 504 A 44 ARG H A 44 ARG HBy 1.0 1.8 3.41 505 505 A 44 ARG H A 44 ARG HGx 1.0 1.8 3.76 506 506 A 45 VAL H A 44 ARG HA 1.0 1.8 2.84 507 507 A 45 VAL H A 45 VAL HB 1.0 1.8 2.68 508 508 A 44 ARG HGx A 45 VAL H 1.0 1.8 4.26 509 509 A 46 VAL HGx% A 45 VAL H 1.0 1.8 4.95 510 510 A 45 VAL HGy% A 45 VAL H 1.0 1.8 2.90 511 511 A 46 VAL H A 22 VAL H 1.0 1.8 4.72 512 512 A 45 VAL H A 46 VAL H 1.0 1.8 5.15 513 513 A 23 LEU HA A 46 VAL H 1.0 1.8 3.93 514 514 A 45 VAL HA A 46 VAL H 1.0 1.8 3.04 515 515 A 45 VAL HB A 46 VAL H 1.0 1.8 4.65 516 516 A 46 VAL HGx% A 46 VAL H 1.0 1.8 3.26 517 517 A 47 PHE H A 46 VAL H 1.0 1.8 2.82 518 518 A 47 PHE H A 22 VAL H 1.0 1.8 3.64 519 519 A 47 PHE HDx A 47 PHE H 1.0 1.8 5.48 520 520 A 47 PHE H A 47 PHE HDy 1.0 1.8 5.50 521 521 A 23 LEU HA A 47 PHE H 1.0 1.8 4.46 522 522 A 21 PHE HBx A 47 PHE H 1.0 1.8 5.17 523 523 A 46 VAL HB A 47 PHE H 1.0 1.8 4.66 524 524 A 22 VAL HB A 47 PHE H 1.0 1.8 3.59 525 525 A 47 PHE H A 45 VAL HB 1.0 1.8 5.14 526 526 A 22 VAL HGy% A 47 PHE H 1.0 1.8 4.61 527 527 A 46 VAL HGx% A 47 PHE H 1.0 1.8 3.74 528 528 A 45 VAL HGy% A 47 PHE H 1.0 1.8 4.89 529 529 A 21 PHE HDy A 49 GLU H 1.0 1.8 4.18 530 530 A 49 GLU H A 49 GLU HGx 1.0 1.8 3.70 531 531 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.64 532 532 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.64 533 533 A 50 ALA H A 51 SER H 1.0 1.8 4.65 534 534 A 49 GLU H A 50 ALA H 1.0 1.8 4.61 535 535 A 21 PHE HDy A 50 ALA H 1.0 1.8 4.49 536 536 A 21 PHE HA A 50 ALA H 1.0 1.8 4.77 537 537 A 49 GLU HA A 50 ALA H 1.0 1.8 2.97 538 538 A 50 ALA H A 49 GLU HBy 1.0 1.8 4.52 539 539 A 50 ALA H A 50 ALA HB% 1.0 1.8 3.17 540 540 A 19 MET HBx A 50 ALA H 1.0 1.8 4.13 541 541 A 50 ALA HB% A 51 SER H 1.0 1.8 2.89 542 542 A 19 MET HBx A 51 SER H 1.0 1.8 4.63 543 543 A 51 SER H A 51 SER HBx 1.0 1.8 3.65 544 544 A 51 SER H A 51 SER HBy 1.0 1.8 3.65 545 545 A 51 SER H A 50 ALA HA 1.0 1.8 2.99 546 546 A 54 SER H A 51 SER H 1.0 1.8 4.94 547 547 A 20 PHE HDx A 52 ARG H 1.0 1.8 5.31 548 548 A 52 ARG H A 51 SER HA 1.0 1.8 3.46 549 549 A 52 ARG H A 51 SER HBy 1.0 1.8 4.37 550 550 A 16 GLU HA A 52 ARG H 1.0 1.8 4.92 551 551 A 52 ARG H A 52 ARG HBx 1.0 1.8 3.50 552 552 A 52 ARG H A 52 ARG HBy 1.0 1.8 3.78 553 553 A 52 ARG H A 53 ALA HB% 1.0 1.8 5.08 554 554 A 52 ARG H A 53 ALA H 1.0 1.8 3.59 555 555 A 52 ARG HBy A 53 ALA H 1.0 1.8 3.19 556 556 A 53 ALA HB% A 53 ALA H 1.0 1.8 2.69 557 557 A 56 VAL HGy% A 53 ALA H 1.0 1.8 4.77 558 558 A 55 CYS H A 54 SER H 1.0 1.8 3.11 559 559 A 54 SER H A 53 ALA H 1.0 1.8 3.27 560 560 A 54 SER H A 54 SER HBx 1.0 1.8 3.80 561 561 A 53 ALA HB% A 54 SER H 1.0 1.8 3.03 562 562 A 56 VAL H A 56 VAL HGy% 1.0 1.8 3.05 563 563 A 56 VAL H A 56 VAL HB 1.0 1.8 3.04 564 564 A 56 VAL H A 55 CYS HBx 1.0 1.8 4.05 565 565 A 56 VAL H A 55 CYS HBy 1.0 1.8 4.05 566 566 A 56 VAL H A 53 ALA HA 1.0 1.8 3.86 567 567 A 55 CYS H A 56 VAL H 1.0 1.8 3.33 568 568 A 55 CYS H A 55 CYS HBy 1.0 1.8 3.74 569 569 A 52 ARG HA A 55 CYS H 1.0 1.8 4.33 570 570 A 55 CYS H A 55 CYS HBx 1.0 1.8 3.74 571 571 A 55 CYS H A 50 ALA HB% 1.0 1.8 4.32 572 572 A 55 CYS H A 53 ALA HB% 1.0 1.8 4.76 573 573 A 56 VAL H A 57 GLU H 1.0 1.8 3.28 574 574 A 55 CYS H A 57 GLU H 1.0 1.8 4.80 575 575 A 59 VAL H A 57 GLU H 1.0 1.8 5.24 576 576 A 57 GLU H A 54 SER HA 1.0 1.8 3.82 577 577 A 57 GLU H A 56 VAL HGy% 1.0 1.8 3.94 578 578 A 59 VAL H A 58 TYR H 1.0 1.8 3.54 579 579 A 56 VAL H A 58 TYR H 1.0 1.8 4.91 580 580 A 58 TYR HDx A 58 TYR H 1.0 1.8 5.23 581 581 A 58 TYR HDy A 58 TYR H 1.0 1.8 5.50 582 582 A 55 CYS HA A 58 TYR H 1.0 1.8 3.82 583 583 A 58 TYR H A 58 TYR HBy 1.0 1.8 3.85 584 584 A 22 VAL HGy% A 58 TYR H 1.0 1.8 4.83 585 585 A 56 VAL HGy% A 58 TYR H 1.0 1.8 5.50 586 586 A 59 VAL H A 60 ASP H 1.0 1.8 3.71 587 587 A 61 GLN H A 60 ASP H 1.0 1.8 3.65 588 588 A 57 GLU HA A 60 ASP H 1.0 1.8 4.05 589 589 A 56 VAL HA A 60 ASP H 1.0 1.8 4.59 590 590 A 60 ASP H A 60 ASP HBy 1.0 1.8 3.47 591 591 A 60 ASP H A 60 ASP HBx 1.0 1.8 3.47 592 592 A 59 VAL HB A 60 ASP H 1.0 1.8 3.43 593 593 A 59 VAL HGx% A 60 ASP H 1.0 1.8 4.04 594 594 A 59 VAL HGy% A 60 ASP H 1.0 1.8 4.32 595 595 A 61 GLN H A 61 GLN HBy 1.0 1.8 3.99 596 596 A 58 TYR HA A 61 GLN H 1.0 1.8 4.81 597 597 A 57 GLU HA A 61 GLN H 1.0 1.8 4.91 598 598 A 66 ILE HA A 67 ARG H 1.0 1.8 3.36 599 599 A 27 GLU HA A 67 ARG H 1.0 1.8 4.82 600 600 A 66 ILE HB A 67 ARG H 1.0 1.8 4.46 601 601 A 66 ILE HG2% A 67 ARG H 1.0 1.8 4.62 602 602 A 66 ILE H A 67 ARG H 1.0 1.8 4.62 603 603 A 66 ILE H A 66 ILE HB 1.0 1.8 3.38 604 604 A 66 ILE HG2% A 66 ILE H 1.0 1.8 4.12 605 605 A 66 ILE HD1% A 66 ILE H 1.0 1.8 4.91 606 606 A 66 ILE H A 66 ILE HG1y 1.0 1.8 4.43 607 607 A 76 ALA HB% A 76 ALA H 1.0 1.8 3.70 608 608 A 48 GLY H A 50 ALA HB% 1.0 1.8 5.17 609 609 A 48 GLY H A 47 PHE HDy 1.0 1.8 3.56 610 610 A 47 PHE H A 48 GLY H 1.0 1.8 4.36 611 611 A 39 VAL HA A 33 TRP HE1 1.0 1.8 4.00 612 612 A 40 PRO HDx A 33 TRP HE1 1.0 1.8 4.10 613 613 A 37 ALA HB% A 33 TRP HE1 1.0 1.8 3.11 614 614 A 62 HIS H A 63 TRP H 1.0 1.8 4.66 615 615 A 22 VAL HB A 59 VAL H 1.0 1.8 5.50 616 616 A 59 VAL H A 58 TYR HDx 1.0 1.8 4.84 617 617 A 10 ASP H A 10 ASP HBx 1.0 1.8 3.70 618 617 A 10 ASP H A 10 ASP HBy 1.0 1.8 3.70 619 618 A 11 ASN H A 10 ASP HBx 1.0 1.8 4.03 620 618 A 11 ASN H A 10 ASP HBy 1.0 1.8 4.03 621 619 A 11 ASN H A 11 ASN HBy 1.0 1.8 3.50 622 619 A 11 ASN H A 11 ASN HBx 1.0 1.8 3.50 623 620 A 11 ASN H A 12 PRO HDx 1.0 1.8 4.87 624 620 A 11 ASN H A 12 PRO HDy 1.0 1.8 4.87 625 621 A 11 ASN HBy A 12 PRO HDx 1.0 1.8 4.57 626 621 A 11 ASN HBx A 12 PRO HDx 1.0 1.8 4.57 627 621 A 12 PRO HDy A 11 ASN HBy 1.0 1.8 4.57 628 621 A 11 ASN HBx A 12 PRO HDy 1.0 1.8 4.57 629 622 A 13 PHE H A 12 PRO HGx 1.0 1.8 4.00 630 622 A 13 PHE H A 12 PRO HGy 1.0 1.8 4.00 631 623 A 13 PHE HDy A 12 PRO HGx 1.0 1.8 4.04 632 623 A 13 PHE HDy A 12 PRO HGy 1.0 1.8 4.04 633 624 A 13 PHE H A 12 PRO HDx 1.0 1.8 3.99 634 624 A 13 PHE H A 12 PRO HDy 1.0 1.8 3.99 635 625 A 13 PHE H A 13 PHE HBx 1.0 1.8 3.45 636 625 A 13 PHE H A 13 PHE HBy 1.0 1.8 3.45 637 626 A 13 PHE HBy A 34 PRO HBx 1.0 1.8 4.83 638 626 A 13 PHE HBx A 34 PRO HBx 1.0 1.8 4.83 639 626 A 34 PRO HBy A 13 PHE HBx 1.0 1.8 4.83 640 626 A 13 PHE HBy A 34 PRO HBy 1.0 1.8 4.83 641 627 A 34 PRO HGy A 13 PHE HBx 1.0 1.8 4.57 642 627 A 34 PRO HGy A 13 PHE HBy 1.0 1.8 4.57 643 628 A 34 PRO HGx A 13 PHE HBx 1.0 1.8 4.60 644 628 A 34 PRO HGx A 13 PHE HBy 1.0 1.8 4.60 645 629 A 14 ASP H A 14 ASP HBx 1.0 1.8 3.54 646 629 A 14 ASP H A 14 ASP HBy 1.0 1.8 3.54 647 630 A 15 ASP H A 15 ASP HBx 1.0 1.8 3.57 648 630 A 15 ASP H A 15 ASP HBy 1.0 1.8 3.57 649 631 A 16 GLU H A 17 ASP HBx 1.0 1.8 4.88 650 631 A 16 GLU H A 17 ASP HBy 1.0 1.8 4.88 651 632 A 16 GLU HA A 52 ARG HDx 1.0 1.8 4.07 652 632 A 16 GLU HA A 52 ARG HDy 1.0 1.8 4.07 653 633 A 16 GLU HBy A 16 GLU HGy 1.0 1.8 2.25 654 633 A 16 GLU HBx A 16 GLU HGy 1.0 1.8 2.25 655 633 A 16 GLU HGx A 16 GLU HBy 1.0 1.8 2.25 656 633 A 16 GLU HBx A 16 GLU HGx 1.0 1.8 2.25 657 634 A 17 ASP H A 16 GLU HGy 1.0 1.8 4.33 658 634 A 17 ASP H A 16 GLU HGx 1.0 1.8 4.33 659 635 A 17 ASP H A 17 ASP HBx 1.0 1.8 2.99 660 635 A 17 ASP H A 17 ASP HBy 1.0 1.8 2.99 661 636 A 18 GLY H A 17 ASP HBx 1.0 1.8 3.64 662 636 A 18 GLY H A 17 ASP HBy 1.0 1.8 3.64 663 637 A 19 MET H A 18 GLY HAx 1.0 1.8 2.86 664 637 A 19 MET H A 18 GLY HAy 1.0 1.8 2.86 665 638 A 20 PHE HEy A 18 GLY HAx 1.0 1.8 4.26 666 638 A 20 PHE HEy A 18 GLY HAy 1.0 1.8 4.26 667 639 A 35 THR HG2% A 19 MET HGx 1.0 1.8 4.46 668 639 A 35 THR HG2% A 19 MET HGy 1.0 1.8 4.46 669 640 A 19 MET HE% A 51 SER HBx 1.0 1.8 3.98 670 640 A 19 MET HE% A 51 SER HBy 1.0 1.8 3.98 671 641 A 20 PHE HBy A 32 LEU HDx% 1.0 1.8 4.79 672 641 A 20 PHE HBy A 32 LEU HDy% 1.0 1.8 4.79 673 642 A 20 PHE HDx A 32 LEU HDx% 1.0 1.8 4.34 674 642 A 20 PHE HDx A 32 LEU HDy% 1.0 1.8 4.34 675 643 A 20 PHE HEx A 52 ARG HDx 1.0 1.8 3.98 676 643 A 20 PHE HEx A 52 ARG HDy 1.0 1.8 3.98 677 644 A 20 PHE HEy A 34 PRO HBx 1.0 1.8 3.77 678 644 A 20 PHE HEy A 34 PRO HBy 1.0 1.8 3.77 679 645 A 21 PHE HA A 32 LEU HDx% 1.0 1.8 4.96 680 645 A 21 PHE HA A 32 LEU HDy% 1.0 1.8 4.96 681 646 A 21 PHE HBy A 23 LEU HDx% 1.0 1.8 3.73 682 646 A 21 PHE HBy A 23 LEU HDy% 1.0 1.8 3.73 683 647 A 21 PHE HBy A 33 TRP HBy 1.0 1.8 4.75 684 647 A 21 PHE HBy A 33 TRP HBx 1.0 1.8 4.75 685 648 A 21 PHE HBx A 23 LEU HDx% 1.0 1.8 4.29 686 648 A 21 PHE HBx A 23 LEU HDy% 1.0 1.8 4.29 687 649 A 21 PHE HDx A 23 LEU HDx% 1.0 1.8 3.62 688 649 A 21 PHE HDx A 23 LEU HDy% 1.0 1.8 3.62 689 650 A 21 PHE HEx A 23 LEU HDx% 1.0 1.8 4.34 690 650 A 21 PHE HEx A 23 LEU HDy% 1.0 1.8 4.34 691 651 A 21 PHE HEx A 39 VAL HGy% 1.0 1.8 3.89 692 651 A 21 PHE HEx A 39 VAL HGx% 1.0 1.8 3.89 693 652 A 21 PHE HEy A 49 GLU HBy 1.0 1.8 4.41 694 652 A 21 PHE HEy A 49 GLU HBx 1.0 1.8 4.41 695 653 A 21 PHE HEy A 49 GLU HGy 1.0 1.8 4.59 696 653 A 21 PHE HEy A 49 GLU HGx 1.0 1.8 4.59 697 654 A 22 VAL H A 23 LEU HDx% 1.0 1.8 4.20 698 654 A 22 VAL H A 23 LEU HDy% 1.0 1.8 4.20 699 655 A 22 VAL H A 32 LEU HDx% 1.0 1.8 4.59 700 655 A 22 VAL H A 32 LEU HDy% 1.0 1.8 4.59 701 656 A 22 VAL HGx% A 23 LEU HDx% 1.0 1.8 5.16 702 656 A 22 VAL HGx% A 23 LEU HDy% 1.0 1.8 5.16 703 657 A 22 VAL HGx% A 30 HIS HBx 1.0 1.8 4.84 704 657 A 22 VAL HGx% A 30 HIS HBy 1.0 1.8 4.84 705 658 A 22 VAL HGx% A 32 LEU HDx% 1.0 1.8 4.25 706 658 A 22 VAL HGx% A 32 LEU HDy% 1.0 1.8 4.25 707 659 A 22 VAL HGx% A 47 PHE HBx 1.0 1.8 4.30 708 659 A 22 VAL HGx% A 47 PHE HBy 1.0 1.8 4.30 709 660 A 22 VAL HGx% A 55 CYS HBy 1.0 1.8 4.38 710 660 A 22 VAL HGx% A 55 CYS HBx 1.0 1.8 4.38 711 661 A 22 VAL HGx% A 58 TYR HBx 1.0 1.8 4.57 712 661 A 22 VAL HGx% A 58 TYR HBy 1.0 1.8 4.57 713 662 A 22 VAL HGy% A 32 LEU HDx% 1.0 1.8 3.18 714 662 A 22 VAL HGy% A 32 LEU HDy% 1.0 1.8 3.18 715 663 A 22 VAL HGy% A 47 PHE HBx 1.0 1.8 3.48 716 663 A 22 VAL HGy% A 47 PHE HBy 1.0 1.8 3.48 717 664 A 22 VAL HGy% A 55 CYS HBy 1.0 1.8 3.04 718 664 A 22 VAL HGy% A 55 CYS HBx 1.0 1.8 3.04 719 665 A 22 VAL HGy% A 58 TYR HBx 1.0 1.8 3.59 720 665 A 22 VAL HGy% A 58 TYR HBy 1.0 1.8 3.59 721 666 A 23 LEU H A 23 LEU HDx% 1.0 1.8 3.93 722 666 A 23 LEU H A 23 LEU HDy% 1.0 1.8 3.93 723 667 A 23 LEU H A 32 LEU HDx% 1.0 1.8 5.15 724 667 A 23 LEU H A 32 LEU HDy% 1.0 1.8 5.15 725 668 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 3.22 726 668 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 3.22 727 669 A 23 LEU HBy A 39 VAL HGy% 1.0 1.8 4.22 728 669 A 23 LEU HBx A 39 VAL HGy% 1.0 1.8 4.22 729 669 A 39 VAL HGx% A 23 LEU HBx 1.0 1.8 4.22 730 669 A 39 VAL HGx% A 23 LEU HBy 1.0 1.8 4.22 731 670 A 23 LEU HBy A 43 TRP HBy 1.0 1.8 3.98 732 670 A 23 LEU HBx A 43 TRP HBy 1.0 1.8 3.98 733 670 A 43 TRP HBx A 23 LEU HBx 1.0 1.8 3.98 734 670 A 23 LEU HBy A 43 TRP HBx 1.0 1.8 3.98 735 671 A 43 TRP HE3 A 23 LEU HBx 1.0 1.8 3.89 736 671 A 43 TRP HE3 A 23 LEU HBy 1.0 1.8 3.89 737 672 A 46 VAL HGx% A 23 LEU HBx 1.0 1.8 4.93 738 672 A 46 VAL HGx% A 23 LEU HBy 1.0 1.8 4.93 739 673 A 23 LEU HG A 33 TRP HBy 1.0 1.8 4.22 740 673 A 23 LEU HG A 33 TRP HBx 1.0 1.8 4.22 741 674 A 23 LEU HG A 39 VAL HGy% 1.0 1.8 4.70 742 674 A 23 LEU HG A 39 VAL HGx% 1.0 1.8 4.70 743 675 A 24 ILE H A 23 LEU HDx% 1.0 1.8 4.30 744 675 A 24 ILE H A 23 LEU HDy% 1.0 1.8 4.30 745 676 A 23 LEU HDy% A 33 TRP HBy 1.0 1.8 3.19 746 676 A 23 LEU HDx% A 33 TRP HBy 1.0 1.8 3.19 747 676 A 33 TRP HBx A 23 LEU HDx% 1.0 1.8 3.19 748 676 A 23 LEU HDy% A 33 TRP HBx 1.0 1.8 3.19 749 677 A 33 TRP HE1 A 23 LEU HDx% 1.0 1.8 5.44 750 677 A 33 TRP HE1 A 23 LEU HDy% 1.0 1.8 5.44 751 678 A 39 VAL HA A 23 LEU HDx% 1.0 1.8 4.50 752 678 A 39 VAL HA A 23 LEU HDy% 1.0 1.8 4.50 753 679 A 23 LEU HDy% A 39 VAL HGy% 1.0 1.8 2.92 754 679 A 23 LEU HDx% A 39 VAL HGy% 1.0 1.8 2.92 755 679 A 39 VAL HGx% A 23 LEU HDx% 1.0 1.8 2.92 756 679 A 23 LEU HDy% A 39 VAL HGx% 1.0 1.8 2.92 757 680 A 40 PRO HGx A 23 LEU HDx% 1.0 1.8 4.45 758 680 A 40 PRO HGx A 23 LEU HDy% 1.0 1.8 4.45 759 681 A 40 PRO HGy A 23 LEU HDx% 1.0 1.8 5.36 760 681 A 40 PRO HGy A 23 LEU HDy% 1.0 1.8 5.36 761 682 A 40 PRO HDy A 23 LEU HDx% 1.0 1.8 3.81 762 682 A 40 PRO HDy A 23 LEU HDy% 1.0 1.8 3.81 763 683 A 40 PRO HDx A 23 LEU HDx% 1.0 1.8 4.53 764 683 A 40 PRO HDx A 23 LEU HDy% 1.0 1.8 4.53 765 684 A 43 TRP H A 23 LEU HDx% 1.0 1.8 5.16 766 684 A 43 TRP H A 23 LEU HDy% 1.0 1.8 5.16 767 685 A 23 LEU HDx% A 43 TRP HBy 1.0 1.8 3.38 768 685 A 23 LEU HDy% A 43 TRP HBy 1.0 1.8 3.38 769 685 A 43 TRP HBx A 23 LEU HDx% 1.0 1.8 3.38 770 685 A 23 LEU HDy% A 43 TRP HBx 1.0 1.8 3.38 771 686 A 43 TRP HE3 A 23 LEU HDx% 1.0 1.8 4.82 772 686 A 43 TRP HE3 A 23 LEU HDy% 1.0 1.8 4.82 773 687 A 44 ARG HA A 23 LEU HDx% 1.0 1.8 5.44 774 687 A 44 ARG HA A 23 LEU HDy% 1.0 1.8 5.44 775 688 A 45 VAL H A 23 LEU HDx% 1.0 1.8 4.70 776 688 A 45 VAL H A 23 LEU HDy% 1.0 1.8 4.70 777 689 A 45 VAL HA A 23 LEU HDx% 1.0 1.8 3.00 778 689 A 45 VAL HA A 23 LEU HDy% 1.0 1.8 3.00 779 690 A 45 VAL HGy% A 23 LEU HDx% 1.0 1.8 2.50 780 690 A 45 VAL HGy% A 23 LEU HDy% 1.0 1.8 2.50 781 691 A 46 VAL H A 23 LEU HDx% 1.0 1.8 3.84 782 691 A 46 VAL H A 23 LEU HDy% 1.0 1.8 3.84 783 692 A 47 PHE H A 23 LEU HDx% 1.0 1.8 4.53 784 692 A 47 PHE H A 23 LEU HDy% 1.0 1.8 4.53 785 693 A 24 ILE HG2% A 44 ARG HDy 1.0 1.8 4.73 786 693 A 24 ILE HG2% A 44 ARG HDx 1.0 1.8 4.73 787 694 A 25 ASN H A 24 ILE HG1y 1.0 1.8 3.90 788 694 A 25 ASN H A 24 ILE HG1x 1.0 1.8 3.90 789 695 A 28 GLU H A 24 ILE HG1y 1.0 1.8 4.62 790 695 A 28 GLU H A 24 ILE HG1x 1.0 1.8 4.62 791 696 A 28 GLU HA A 24 ILE HG1y 1.0 1.8 3.65 792 696 A 28 GLU HA A 24 ILE HG1x 1.0 1.8 3.65 793 697 A 24 ILE HD1% A 28 GLU HBy 1.0 1.8 4.07 794 697 A 24 ILE HD1% A 28 GLU HBx 1.0 1.8 4.07 795 698 A 24 ILE HD1% A 28 GLU HGx 1.0 1.8 4.18 796 698 A 24 ILE HD1% A 28 GLU HGy 1.0 1.8 4.18 797 699 A 26 ASP H A 26 ASP HBx 1.0 1.8 3.26 798 699 A 26 ASP H A 26 ASP HBy 1.0 1.8 3.26 799 700 A 27 GLU H A 27 GLU HBy 1.0 1.8 3.39 800 700 A 27 GLU H A 27 GLU HBx 1.0 1.8 3.39 801 701 A 27 GLU H A 27 GLU HGx 1.0 1.8 3.93 802 701 A 27 GLU H A 27 GLU HGy 1.0 1.8 3.93 803 702 A 27 GLU HBy A 28 GLU HGx 1.0 1.8 4.93 804 702 A 27 GLU HBx A 28 GLU HGx 1.0 1.8 4.93 805 702 A 28 GLU HGy A 27 GLU HBy 1.0 1.8 4.93 806 702 A 28 GLU HGy A 27 GLU HBx 1.0 1.8 4.93 807 703 A 27 GLU HBy A 29 GLN HGx 1.0 1.8 4.30 808 703 A 27 GLU HBx A 29 GLN HGx 1.0 1.8 4.30 809 703 A 29 GLN HGy A 27 GLU HBy 1.0 1.8 4.30 810 703 A 27 GLU HBx A 29 GLN HGy 1.0 1.8 4.30 811 704 A 68 PRO HA A 27 GLU HBy 1.0 1.8 5.22 812 704 A 27 GLU HBx A 68 PRO HA 1.0 1.8 5.22 813 705 A 27 GLU HBx A 68 PRO HGx 1.0 1.8 4.28 814 705 A 27 GLU HBy A 68 PRO HGx 1.0 1.8 4.28 815 705 A 68 PRO HGy A 27 GLU HBy 1.0 1.8 4.28 816 705 A 27 GLU HBx A 68 PRO HGy 1.0 1.8 4.28 817 706 A 68 PRO HDy A 27 GLU HBy 1.0 1.8 4.19 818 706 A 68 PRO HDy A 27 GLU HBx 1.0 1.8 4.19 819 707 A 68 PRO HDx A 27 GLU HBy 1.0 1.8 3.64 820 707 A 68 PRO HDx A 27 GLU HBx 1.0 1.8 3.64 821 708 A 28 GLU H A 28 GLU HBy 1.0 1.8 3.65 822 708 A 28 GLU H A 28 GLU HBx 1.0 1.8 3.65 823 709 A 28 GLU H A 28 GLU HGx 1.0 1.8 3.62 824 709 A 28 GLU H A 28 GLU HGy 1.0 1.8 3.62 825 710 A 28 GLU HA A 28 GLU HGx 1.0 1.8 3.54 826 710 A 28 GLU HA A 28 GLU HGy 1.0 1.8 3.54 827 711 A 29 GLN H A 29 GLN HBx 1.0 1.8 3.39 828 711 A 29 GLN H A 29 GLN HBy 1.0 1.8 3.39 829 712 A 29 GLN H A 29 GLN HGx 1.0 1.8 3.92 830 712 A 29 GLN H A 29 GLN HGy 1.0 1.8 3.92 831 713 A 43 TRP HE3 A 29 GLN HBx 1.0 1.8 4.37 832 713 A 43 TRP HE3 A 29 GLN HBy 1.0 1.8 4.37 833 714 A 59 VAL HGx% A 30 HIS HBx 1.0 1.8 4.57 834 714 A 59 VAL HGx% A 30 HIS HBy 1.0 1.8 4.57 835 715 A 31 SER H A 32 LEU HDx% 1.0 1.8 5.44 836 715 A 31 SER H A 32 LEU HDy% 1.0 1.8 5.44 837 716 A 32 LEU HA A 32 LEU HDx% 1.0 1.8 3.60 838 716 A 32 LEU HA A 32 LEU HDy% 1.0 1.8 3.60 839 717 A 32 LEU HBx A 32 LEU HDx% 1.0 1.8 2.92 840 717 A 32 LEU HBx A 32 LEU HDy% 1.0 1.8 2.92 841 718 A 33 TRP H A 32 LEU HDx% 1.0 1.8 4.64 842 718 A 33 TRP H A 32 LEU HDy% 1.0 1.8 4.64 843 719 A 34 PRO HDx A 32 LEU HDx% 1.0 1.8 5.44 844 719 A 34 PRO HDx A 32 LEU HDy% 1.0 1.8 5.44 845 720 A 52 ARG HA A 32 LEU HDx% 1.0 1.8 4.37 846 720 A 52 ARG HA A 32 LEU HDy% 1.0 1.8 4.37 847 721 A 32 LEU HDy% A 52 ARG HDx 1.0 1.8 4.01 848 721 A 32 LEU HDx% A 52 ARG HDx 1.0 1.8 4.01 849 721 A 52 ARG HDy A 32 LEU HDx% 1.0 1.8 4.01 850 721 A 52 ARG HDy A 32 LEU HDy% 1.0 1.8 4.01 851 722 A 55 CYS H A 32 LEU HDx% 1.0 1.8 5.05 852 722 A 55 CYS H A 32 LEU HDy% 1.0 1.8 5.05 853 723 A 55 CYS HA A 32 LEU HDx% 1.0 1.8 4.91 854 723 A 55 CYS HA A 32 LEU HDy% 1.0 1.8 4.91 855 724 A 32 LEU HDy% A 55 CYS HBy 1.0 1.8 3.20 856 724 A 32 LEU HDx% A 55 CYS HBy 1.0 1.8 3.20 857 724 A 55 CYS HBx A 32 LEU HDx% 1.0 1.8 3.20 858 724 A 32 LEU HDy% A 55 CYS HBx 1.0 1.8 3.20 859 725 A 56 VAL H A 32 LEU HDx% 1.0 1.8 5.44 860 725 A 56 VAL H A 32 LEU HDy% 1.0 1.8 5.44 861 726 A 56 VAL HA A 32 LEU HDx% 1.0 1.8 4.06 862 726 A 56 VAL HA A 32 LEU HDy% 1.0 1.8 4.06 863 727 A 56 VAL HGy% A 32 LEU HDx% 1.0 1.8 3.35 864 727 A 56 VAL HGy% A 32 LEU HDy% 1.0 1.8 3.35 865 728 A 59 VAL HGy% A 32 LEU HDx% 1.0 1.8 4.32 866 728 A 59 VAL HGy% A 32 LEU HDy% 1.0 1.8 4.32 867 729 A 33 TRP HD1 A 39 VAL HGy% 1.0 1.8 3.61 868 729 A 33 TRP HD1 A 39 VAL HGx% 1.0 1.8 3.61 869 730 A 33 TRP HE1 A 39 VAL HGy% 1.0 1.8 5.44 870 730 A 33 TRP HE1 A 39 VAL HGx% 1.0 1.8 5.44 871 731 A 36 PHE H A 34 PRO HBx 1.0 1.8 4.13 872 731 A 36 PHE H A 34 PRO HBy 1.0 1.8 4.13 873 732 A 35 THR HG2% A 49 GLU HBy 1.0 1.8 3.31 874 732 A 35 THR HG2% A 49 GLU HBx 1.0 1.8 3.31 875 733 A 35 THR HG2% A 49 GLU HGy 1.0 1.8 3.92 876 733 A 35 THR HG2% A 49 GLU HGx 1.0 1.8 3.92 877 734 A 36 PHE H A 36 PHE HBx 1.0 1.8 3.21 878 734 A 36 PHE H A 36 PHE HBy 1.0 1.8 3.21 879 735 A 38 ASP H A 38 ASP HBx 1.0 1.8 3.28 880 735 A 38 ASP H A 38 ASP HBy 1.0 1.8 3.28 881 736 A 38 ASP HA A 39 VAL HGy% 1.0 1.8 3.71 882 736 A 38 ASP HA A 39 VAL HGx% 1.0 1.8 3.71 883 737 A 39 VAL H A 38 ASP HBx 1.0 1.8 3.39 884 737 A 39 VAL H A 38 ASP HBy 1.0 1.8 3.39 885 738 A 39 VAL H A 39 VAL HGy% 1.0 1.8 2.91 886 738 A 39 VAL H A 39 VAL HGx% 1.0 1.8 2.91 887 739 A 39 VAL HA A 39 VAL HGy% 1.0 1.8 2.95 888 739 A 39 VAL HA A 39 VAL HGx% 1.0 1.8 2.95 889 740 A 40 PRO HA A 39 VAL HGy% 1.0 1.8 5.04 890 740 A 40 PRO HA A 39 VAL HGx% 1.0 1.8 5.04 891 741 A 40 PRO HDy A 39 VAL HGy% 1.0 1.8 3.16 892 741 A 40 PRO HDy A 39 VAL HGx% 1.0 1.8 3.16 893 742 A 40 PRO HDx A 39 VAL HGy% 1.0 1.8 3.65 894 742 A 40 PRO HDx A 39 VAL HGx% 1.0 1.8 3.65 895 743 A 43 TRP H A 39 VAL HGy% 1.0 1.8 4.18 896 743 A 43 TRP H A 39 VAL HGx% 1.0 1.8 4.18 897 744 A 39 VAL HGx% A 43 TRP HBy 1.0 1.8 3.38 898 744 A 39 VAL HGy% A 43 TRP HBy 1.0 1.8 3.38 899 744 A 43 TRP HBx A 39 VAL HGy% 1.0 1.8 3.38 900 744 A 39 VAL HGx% A 43 TRP HBx 1.0 1.8 3.38 901 745 A 44 ARG H A 39 VAL HGy% 1.0 1.8 4.86 902 745 A 44 ARG H A 39 VAL HGx% 1.0 1.8 4.86 903 746 A 44 ARG HA A 39 VAL HGy% 1.0 1.8 4.03 904 746 A 44 ARG HA A 39 VAL HGx% 1.0 1.8 4.03 905 747 A 45 VAL H A 39 VAL HGy% 1.0 1.8 4.72 906 747 A 45 VAL H A 39 VAL HGx% 1.0 1.8 4.72 907 748 A 45 VAL HA A 39 VAL HGy% 1.0 1.8 4.71 908 748 A 45 VAL HA A 39 VAL HGx% 1.0 1.8 4.71 909 749 A 45 VAL HB A 39 VAL HGy% 1.0 1.8 4.60 910 749 A 45 VAL HB A 39 VAL HGx% 1.0 1.8 4.60 911 750 A 45 VAL HGy% A 39 VAL HGy% 1.0 1.8 2.93 912 750 A 45 VAL HGy% A 39 VAL HGx% 1.0 1.8 2.93 913 751 A 40 PRO HBy A 43 TRP HBy 1.0 1.8 5.34 914 751 A 40 PRO HBy A 43 TRP HBx 1.0 1.8 5.34 915 752 A 40 PRO HGx A 43 TRP HBy 1.0 1.8 4.61 916 752 A 40 PRO HGx A 43 TRP HBx 1.0 1.8 4.61 917 753 A 41 ALA HA A 42 GLY HAx 1.0 1.8 4.63 918 753 A 41 ALA HA A 42 GLY HAy 1.0 1.8 4.63 919 754 A 41 ALA HB% A 42 GLY HAx 1.0 1.8 4.48 920 754 A 41 ALA HB% A 42 GLY HAy 1.0 1.8 4.48 921 755 A 43 TRP HD1 A 42 GLY HAx 1.0 1.8 4.33 922 755 A 43 TRP HD1 A 42 GLY HAy 1.0 1.8 4.33 923 756 A 43 TRP H A 43 TRP HBy 1.0 1.8 3.13 924 756 A 43 TRP H A 43 TRP HBx 1.0 1.8 3.13 925 757 A 44 ARG H A 44 ARG HDy 1.0 1.8 4.78 926 757 A 44 ARG H A 44 ARG HDx 1.0 1.8 4.78 927 758 A 44 ARG HA A 44 ARG HDy 1.0 1.8 4.81 928 758 A 44 ARG HA A 44 ARG HDx 1.0 1.8 4.81 929 759 A 44 ARG HBx A 44 ARG HDy 1.0 1.8 3.08 930 759 A 44 ARG HBx A 44 ARG HDx 1.0 1.8 3.08 931 760 A 44 ARG HBy A 44 ARG HDy 1.0 1.8 3.35 932 760 A 44 ARG HBy A 44 ARG HDx 1.0 1.8 3.35 933 761 A 45 VAL H A 44 ARG HDy 1.0 1.8 5.34 934 761 A 45 VAL H A 44 ARG HDx 1.0 1.8 5.34 935 762 A 46 VAL HGx% A 44 ARG HDy 1.0 1.8 4.83 936 762 A 46 VAL HGx% A 44 ARG HDx 1.0 1.8 4.83 937 763 A 46 VAL HGy% A 47 PHE HBx 1.0 1.8 3.89 938 763 A 46 VAL HGy% A 47 PHE HBy 1.0 1.8 3.89 939 764 A 47 PHE H A 47 PHE HBx 1.0 1.8 3.69 940 764 A 47 PHE H A 47 PHE HBy 1.0 1.8 3.69 941 765 A 48 GLY H A 47 PHE HBx 1.0 1.8 4.09 942 765 A 48 GLY H A 47 PHE HBy 1.0 1.8 4.09 943 766 A 47 PHE HDx A 58 TYR HBx 1.0 1.8 3.97 944 766 A 47 PHE HDx A 58 TYR HBy 1.0 1.8 3.97 945 767 A 49 GLU H A 49 GLU HBy 1.0 1.8 3.01 946 767 A 49 GLU H A 49 GLU HBx 1.0 1.8 3.01 947 768 A 49 GLU H A 49 GLU HGy 1.0 1.8 3.20 948 768 A 49 GLU H A 49 GLU HGx 1.0 1.8 3.20 949 769 A 50 ALA H A 49 GLU HBy 1.0 1.8 3.89 950 769 A 50 ALA H A 49 GLU HBx 1.0 1.8 3.89 951 770 A 50 ALA H A 49 GLU HGy 1.0 1.8 4.98 952 770 A 50 ALA H A 49 GLU HGx 1.0 1.8 4.98 953 771 A 50 ALA HB% A 54 SER HBx 1.0 1.8 3.19 954 771 A 50 ALA HB% A 54 SER HBy 1.0 1.8 3.19 955 772 A 51 SER H A 51 SER HBx 1.0 1.8 2.91 956 772 A 51 SER H A 51 SER HBy 1.0 1.8 2.91 957 773 A 51 SER H A 54 SER HBx 1.0 1.8 4.45 958 773 A 51 SER H A 54 SER HBy 1.0 1.8 4.45 959 774 A 52 ARG H A 51 SER HBx 1.0 1.8 3.61 960 774 A 52 ARG H A 51 SER HBy 1.0 1.8 3.61 961 775 A 53 ALA H A 51 SER HBx 1.0 1.8 3.88 962 775 A 53 ALA H A 51 SER HBy 1.0 1.8 3.88 963 776 A 53 ALA HB% A 51 SER HBx 1.0 1.8 4.55 964 776 A 53 ALA HB% A 51 SER HBy 1.0 1.8 4.55 965 777 A 54 SER H A 51 SER HBx 1.0 1.8 4.16 966 777 A 54 SER H A 51 SER HBy 1.0 1.8 4.16 967 778 A 52 ARG HA A 52 ARG HGx 1.0 1.8 3.47 968 778 A 52 ARG HA A 52 ARG HGy 1.0 1.8 3.47 969 779 A 52 ARG HA A 52 ARG HDx 1.0 1.8 4.13 970 779 A 52 ARG HA A 52 ARG HDy 1.0 1.8 4.13 971 780 A 52 ARG HA A 55 CYS HBy 1.0 1.8 3.80 972 780 A 52 ARG HA A 55 CYS HBx 1.0 1.8 3.80 973 781 A 53 ALA H A 52 ARG HGx 1.0 1.8 4.97 974 781 A 53 ALA H A 52 ARG HGy 1.0 1.8 4.97 975 782 A 56 VAL H A 52 ARG HGx 1.0 1.8 5.34 976 782 A 56 VAL H A 52 ARG HGy 1.0 1.8 5.34 977 783 A 56 VAL HGy% A 52 ARG HGx 1.0 1.8 3.16 978 783 A 56 VAL HGy% A 52 ARG HGy 1.0 1.8 3.16 979 784 A 52 ARG HDx A 55 CYS HBy 1.0 1.8 3.84 980 784 A 52 ARG HDy A 55 CYS HBy 1.0 1.8 3.84 981 784 A 55 CYS HBx A 52 ARG HDx 1.0 1.8 3.84 982 784 A 52 ARG HDy A 55 CYS HBx 1.0 1.8 3.84 983 785 A 53 ALA H A 54 SER HBx 1.0 1.8 5.34 984 785 A 53 ALA H A 54 SER HBy 1.0 1.8 5.34 985 786 A 54 SER H A 54 SER HBx 1.0 1.8 3.11 986 786 A 54 SER H A 54 SER HBy 1.0 1.8 3.11 987 787 A 54 SER HA A 57 GLU HBx 1.0 1.8 3.26 988 787 A 54 SER HA A 57 GLU HBy 1.0 1.8 3.26 989 788 A 55 CYS H A 54 SER HBx 1.0 1.8 3.49 990 788 A 55 CYS H A 54 SER HBy 1.0 1.8 3.49 991 789 A 54 SER HBy A 57 GLU HBx 1.0 1.8 4.94 992 789 A 54 SER HBx A 57 GLU HBx 1.0 1.8 4.94 993 789 A 57 GLU HBy A 54 SER HBx 1.0 1.8 4.94 994 789 A 54 SER HBy A 57 GLU HBy 1.0 1.8 4.94 995 790 A 55 CYS H A 55 CYS HBy 1.0 1.8 3.14 996 790 A 55 CYS H A 55 CYS HBx 1.0 1.8 3.14 997 791 A 55 CYS H A 57 GLU HBx 1.0 1.8 5.18 998 791 A 55 CYS H A 57 GLU HBy 1.0 1.8 5.18 999 792 A 55 CYS HA A 58 TYR HBx 1.0 1.8 3.56 1000 792 A 55 CYS HA A 58 TYR HBy 1.0 1.8 3.56 1001 793 A 56 VAL H A 55 CYS HBy 1.0 1.8 3.46 1002 793 A 56 VAL H A 55 CYS HBx 1.0 1.8 3.46 1003 794 A 56 VAL H A 57 GLU HBx 1.0 1.8 4.93 1004 794 A 56 VAL H A 57 GLU HBy 1.0 1.8 4.93 1005 795 A 56 VAL HGx% A 60 ASP HBx 1.0 1.8 4.21 1006 795 A 56 VAL HGx% A 60 ASP HBy 1.0 1.8 4.21 1007 796 A 57 GLU H A 57 GLU HBx 1.0 1.8 2.52 1008 796 A 57 GLU H A 57 GLU HBy 1.0 1.8 2.52 1009 797 A 57 GLU H A 57 GLU HGy 1.0 1.8 4.27 1010 797 A 57 GLU H A 57 GLU HGx 1.0 1.8 4.27 1011 798 A 57 GLU HA A 57 GLU HGy 1.0 1.8 3.11 1012 798 A 57 GLU HA A 57 GLU HGx 1.0 1.8 3.11 1013 799 A 57 GLU HA A 60 ASP HBx 1.0 1.8 3.17 1014 799 A 57 GLU HA A 60 ASP HBy 1.0 1.8 3.17 1015 800 A 58 TYR H A 57 GLU HBx 1.0 1.8 3.09 1016 800 A 58 TYR H A 57 GLU HBy 1.0 1.8 3.09 1017 801 A 58 TYR H A 57 GLU HGy 1.0 1.8 4.65 1018 801 A 58 TYR H A 57 GLU HGx 1.0 1.8 4.65 1019 802 A 58 TYR HA A 57 GLU HGy 1.0 1.8 5.34 1020 802 A 58 TYR HA A 57 GLU HGx 1.0 1.8 5.34 1021 803 A 58 TYR H A 58 TYR HBx 1.0 1.8 3.02 1022 803 A 58 TYR H A 58 TYR HBy 1.0 1.8 3.02 1023 804 A 58 TYR HA A 61 GLN HBx 1.0 1.8 4.01 1024 804 A 58 TYR HA A 61 GLN HBy 1.0 1.8 4.01 1025 805 A 58 TYR HA A 61 GLN HGx 1.0 1.8 4.53 1026 805 A 58 TYR HA A 61 GLN HGy 1.0 1.8 4.53 1027 806 A 59 VAL H A 58 TYR HBx 1.0 1.8 4.01 1028 806 A 59 VAL H A 58 TYR HBy 1.0 1.8 4.01 1029 807 A 59 VAL HGy% A 58 TYR HBx 1.0 1.8 4.59 1030 807 A 59 VAL HGy% A 58 TYR HBy 1.0 1.8 4.59 1031 808 A 60 ASP H A 60 ASP HBx 1.0 1.8 2.95 1032 808 A 60 ASP H A 60 ASP HBy 1.0 1.8 2.95 1033 809 A 61 GLN H A 61 GLN HBx 1.0 1.8 3.41 1034 809 A 61 GLN H A 61 GLN HBy 1.0 1.8 3.41 1035 810 A 62 HIS H A 61 GLN HBx 1.0 1.8 4.27 1036 810 A 62 HIS H A 61 GLN HBy 1.0 1.8 4.27 1037 811 A 62 HIS HA A 61 GLN HBx 1.0 1.8 4.61 1038 811 A 61 GLN HBy A 62 HIS HA 1.0 1.8 4.61 1039 812 A 63 TRP H A 61 GLN HBx 1.0 1.8 4.94 1040 812 A 63 TRP H A 61 GLN HBy 1.0 1.8 4.94 1041 813 A 61 GLN HE2y A 61 GLN HGx 1.0 1.8 3.05 1042 813 A 61 GLN HGy A 61 GLN HE2x 1.0 1.8 3.05 1043 813 A 61 GLN HGy A 61 GLN HE2y 1.0 1.8 3.05 1044 813 A 61 GLN HE2x A 61 GLN HGx 1.0 1.8 3.05 1045 814 A 62 HIS H A 62 HIS HBy 1.0 1.8 3.56 1046 814 A 62 HIS H A 62 HIS HBx 1.0 1.8 3.56 1047 815 A 65 ASP H A 66 ILE HG1y 1.0 1.8 5.10 1048 815 A 65 ASP H A 66 ILE HG1x 1.0 1.8 5.10 1049 816 A 66 ILE H A 66 ILE HG1y 1.0 1.8 3.68 1050 816 A 66 ILE H A 66 ILE HG1x 1.0 1.8 3.68 1051 817 A 66 ILE HG2% A 68 PRO HGx 1.0 1.8 4.63 1052 817 A 66 ILE HG2% A 68 PRO HGy 1.0 1.8 4.63 1053 818 A 67 ARG H A 68 PRO HGx 1.0 1.8 4.45 1054 818 A 67 ARG H A 68 PRO HGy 1.0 1.8 4.45 1055 819 A 69 LYS HA A 69 LYS HDy 1.0 1.8 3.83 1056 819 A 69 LYS HA A 69 LYS HDx 1.0 1.8 3.83 1057 820 A 69 LYS HBy A 69 LYS HDy 1.0 1.8 3.04 1058 820 A 69 LYS HBx A 69 LYS HDy 1.0 1.8 3.04 1059 820 A 69 LYS HDx A 69 LYS HBx 1.0 1.8 3.04 1060 820 A 69 LYS HDx A 69 LYS HBy 1.0 1.8 3.04 1061 821 A 69 LYS HBy A 69 LYS HEy 1.0 1.8 4.31 1062 821 A 69 LYS HBx A 69 LYS HEy 1.0 1.8 4.31 1063 821 A 69 LYS HEx A 69 LYS HBx 1.0 1.8 4.31 1064 821 A 69 LYS HBy A 69 LYS HEx 1.0 1.8 4.31 1065 822 A 69 LYS HDy A 69 LYS HGy 1.0 1.8 2.34 1066 822 A 69 LYS HGx A 69 LYS HDy 1.0 1.8 2.34 1067 822 A 69 LYS HDx A 69 LYS HGx 1.0 1.8 2.34 1068 822 A 69 LYS HDx A 69 LYS HGy 1.0 1.8 2.34 1069 823 A 75 LEU HA A 75 LEU HDx% 1.0 1.8 3.43 1070 823 A 75 LEU HA A 75 LEU HDy% 1.0 1.8 3.43 1071 824 A 76 ALA H A 75 LEU HBx 1.0 1.8 3.64 1072 824 A 76 ALA H A 75 LEU HBy 1.0 1.8 3.64 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 hbond _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 21 PHE H A 33 TRP O 1.0 1.8 2.0 2 2 A 33 TRP O A 21 PHE N 1.0 2.7 3.0 3 3 A 33 TRP H A 21 PHE O 1.0 1.8 2.0 4 4 A 21 PHE O A 33 TRP N 1.0 2.7 3.0 5 5 A 20 PHE H A 50 ALA O 1.0 1.8 2.0 6 6 A 50 ALA O A 20 PHE N 1.0 2.7 3.0 7 7 A 50 ALA H A 20 PHE O 1.0 1.8 2.0 8 8 A 20 PHE O A 50 ALA N 1.0 2.7 3.0 9 9 A 24 ILE H A 44 ARG O 1.0 1.8 2.0 10 10 A 44 ARG O A 24 ILE N 1.0 2.7 3.0 11 11 A 44 ARG H A 24 ILE O 1.0 1.8 2.0 12 12 A 24 ILE O A 44 ARG N 1.0 2.7 3.0 13 13 A 56 VAL H A 52 ARG O 1.0 1.8 2.0 14 14 A 52 ARG O A 56 VAL N 1.0 2.7 3.0 15 15 A 57 GLU H A 53 ALA O 1.0 1.8 2.0 16 16 A 53 ALA O A 57 GLU N 1.0 2.7 3.0 17 17 A 58 TYR H A 54 SER O 1.0 1.8 2.0 18 18 A 54 SER O A 58 TYR N 1.0 2.7 3.0 19 19 A 43 TRP H A 40 PRO O 1.0 1.8 2.0 20 20 A 40 PRO O A 43 TRP N 1.0 2.7 3.0 21 21 A 23 LEU H A 31 SER O 1.0 1.8 2.0 22 22 A 31 SER O A 23 LEU N 1.0 2.7 3.0 23 23 A 22 VAL H A 47 PHE O 1.0 1.8 2.0 24 24 A 47 PHE O A 22 VAL N 1.0 2.7 3.0 25 25 A 29 GLN H A 25 ASN O 1.0 1.8 2.0 26 26 A 25 ASN O A 29 GLN N 1.0 2.7 3.0 27 27 A 46 VAL H A 22 VAL O 1.0 1.8 2.0 28 28 A 22 VAL O A 46 VAL N 1.0 2.7 3.0 29 29 A 47 PHE H A 22 VAL O 1.0 1.8 2.0 30 30 A 22 VAL O A 47 PHE N 1.0 2.7 3.0 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _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 10 ASP C A 11 ASN N A 11 ASN CA A 11 ASN C 1.0 -161.8 -51.4 PHI 2 2 A 11 ASN N A 11 ASN CA A 11 ASN C A 12 PRO N 1.0 54.4 174.6 PSI 3 3 A 12 PRO C A 13 PHE N A 13 PHE CA A 13 PHE C 1.0 -118.2 -37.4 PHI 4 4 A 13 PHE N A 13 PHE CA A 13 PHE C A 14 ASP N 1.0 -47.0 14.6 PSI 5 5 A 13 PHE C A 14 ASP N A 14 ASP CA A 14 ASP C 1.0 -137.1 -64.5 PHI 6 6 A 14 ASP N A 14 ASP CA A 14 ASP C A 15 ASP N 1.0 -42.4 37.0 PSI 7 7 A 16 GLU C A 17 ASP N A 17 ASP CA A 17 ASP C 1.0 -91.6 -71.6 PHI 8 8 A 17 ASP N A 17 ASP CA A 17 ASP C A 18 GLY N 1.0 -22.5 13.7 PSI 9 9 A 18 GLY C A 19 MET N A 19 MET CA A 19 MET C 1.0 -191.5 -60.1 PHI 10 10 A 19 MET N A 19 MET CA A 19 MET C A 20 PHE N 1.0 127.8 181.8 PSI 11 11 A 19 MET C A 20 PHE N A 20 PHE CA A 20 PHE C 1.0 -161.3 -112.7 PHI 12 12 A 20 PHE N A 20 PHE CA A 20 PHE C A 21 PHE N 1.0 150.1 170.1 PSI 13 13 A 20 PHE C A 21 PHE N A 21 PHE CA A 21 PHE C 1.0 -168.4 -73.0 PHI 14 14 A 21 PHE N A 21 PHE CA A 21 PHE C A 22 VAL N 1.0 126.3 183.1 PSI 15 15 A 21 PHE C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -192.1 -56.5 PHI 16 16 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 LEU N 1.0 118.6 162.6 PSI 17 17 A 22 VAL C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -147.5 -92.7 PHI 18 18 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 ILE N 1.0 139.5 176.5 PSI 19 19 A 23 LEU C A 24 ILE N A 24 ILE CA A 24 ILE C 1.0 -164.3 -99.3 PHI 20 20 A 24 ILE N A 24 ILE CA A 24 ILE C A 25 ASN N 1.0 115.9 173.9 PSI 21 21 A 24 ILE C A 25 ASN N A 25 ASN CA A 25 ASN C 1.0 -147.7 -49.9 PHI 22 22 A 25 ASN N A 25 ASN CA A 25 ASN C A 26 ASP N 1.0 141.2 202.2 PSI 23 23 A 26 ASP C A 27 GLU N A 27 GLU CA A 27 GLU C 1.0 -121.1 -65.9 PHI 24 24 A 27 GLU N A 27 GLU CA A 27 GLU C A 28 GLU N 1.0 -14.5 38.9 PSI 25 25 A 27 GLU C A 28 GLU N A 28 GLU CA A 28 GLU C 1.0 48.0 71.6 PHI 26 26 A 28 GLU N A 28 GLU CA A 28 GLU C A 29 GLN N 1.0 7.3 52.7 PSI 27 27 A 28 GLU C A 29 GLN N A 29 GLN CA A 29 GLN C 1.0 -130.1 -62.5 PHI 28 28 A 29 GLN N A 29 GLN CA A 29 GLN C A 30 HIS N 1.0 116.8 175.4 PSI 29 29 A 29 GLN C A 30 HIS N A 30 HIS CA A 30 HIS C 1.0 -167.7 -85.1 PHI 30 30 A 30 HIS N A 30 HIS CA A 30 HIS C A 31 SER N 1.0 132.2 180.6 PSI 31 31 A 30 HIS C A 31 SER N A 31 SER CA A 31 SER C 1.0 -200.6 -86.4 PHI 32 32 A 31 SER N A 31 SER CA A 31 SER C A 32 LEU N 1.0 109.7 182.1 PSI 33 33 A 31 SER C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -156.5 -80.9 PHI 34 34 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 TRP N 1.0 115.5 143.1 PSI 35 35 A 32 LEU C A 33 TRP N A 33 TRP CA A 33 TRP C 1.0 -160.6 -114.2 PHI 36 36 A 33 TRP N A 33 TRP CA A 33 TRP C A 34 PRO N 1.0 80.1 173.7 PSI 37 37 A 34 PRO C A 35 THR N A 35 THR CA A 35 THR C 1.0 -82.3 -42.5 PHI 38 38 A 35 THR N A 35 THR CA A 35 THR C A 36 PHE N 1.0 -46.2 3.6 PSI 39 39 A 35 THR C A 36 PHE N A 36 PHE CA A 36 PHE C 1.0 -112.9 -67.9 PHI 40 40 A 36 PHE N A 36 PHE CA A 36 PHE C A 37 ALA N 1.0 -32.2 23.4 PSI 41 41 A 36 PHE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -165.0 -39.2 PHI 42 42 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 ASP N 1.0 59.7 186.3 PSI 43 43 A 37 ALA C A 38 ASP N A 38 ASP CA A 38 ASP C 1.0 -107.0 -59.8 PHI 44 44 A 38 ASP N A 38 ASP CA A 38 ASP C A 39 VAL N 1.0 104.6 152.4 PSI 45 45 A 38 ASP C A 39 VAL N A 39 VAL CA A 39 VAL C 1.0 -114.0 -47.4 PHI 46 46 A 39 VAL N A 39 VAL CA A 39 VAL C A 40 PRO N 1.0 99.0 162.4 PSI 47 47 A 40 PRO C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -79.5 -44.5 PHI 48 48 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 GLY N 1.0 128.4 150.0 PSI 49 49 A 41 ALA C A 42 GLY N A 42 GLY CA A 42 GLY C 1.0 59.9 109.7 PHI 50 50 A 42 GLY N A 42 GLY CA A 42 GLY C A 43 TRP N 1.0 -28.0 30.0 PSI 51 51 A 42 GLY C A 43 TRP N A 43 TRP CA A 43 TRP C 1.0 -140.1 -59.5 PHI 52 52 A 43 TRP N A 43 TRP CA A 43 TRP C A 44 ARG N 1.0 91.5 206.1 PSI 53 53 A 43 TRP C A 44 ARG N A 44 ARG CA A 44 ARG C 1.0 -160.8 -83.4 PHI 54 54 A 44 ARG N A 44 ARG CA A 44 ARG C A 45 VAL N 1.0 126.3 171.3 PSI 55 55 A 44 ARG C A 45 VAL N A 45 VAL CA A 45 VAL C 1.0 -95.7 -54.9 PHI 56 56 A 45 VAL N A 45 VAL CA A 45 VAL C A 46 VAL N 1.0 106.0 159.4 PSI 57 57 A 48 GLY C A 49 GLU N A 49 GLU CA A 49 GLU C 1.0 -157.2 -55.4 PHI 58 58 A 49 GLU N A 49 GLU CA A 49 GLU C A 50 ALA N 1.0 111.3 170.1 PSI 59 59 A 49 GLU C A 50 ALA N A 50 ALA CA A 50 ALA C 1.0 -165.3 -101.7 PHI 60 60 A 50 ALA N A 50 ALA CA A 50 ALA C A 51 SER N 1.0 136.8 166.2 PSI 61 61 A 50 ALA C A 51 SER N A 51 SER CA A 51 SER C 1.0 -97.8 -49.6 PHI 62 62 A 51 SER N A 51 SER CA A 51 SER C A 52 ARG N 1.0 131.4 179.8 PSI 63 63 A 51 SER C A 52 ARG N A 52 ARG CA A 52 ARG C 1.0 -67.7 -47.7 PHI 64 64 A 52 ARG N A 52 ARG CA A 52 ARG C A 53 ALA N 1.0 -52.4 -32.4 PSI 65 65 A 52 ARG C A 53 ALA N A 53 ALA CA A 53 ALA C 1.0 -71.8 -51.8 PHI 66 66 A 53 ALA N A 53 ALA CA A 53 ALA C A 54 SER N 1.0 -49.7 -29.7 PSI 67 67 A 53 ALA C A 54 SER N A 54 SER CA A 54 SER C 1.0 -74.8 -54.8 PHI 68 68 A 54 SER N A 54 SER CA A 54 SER C A 55 CYS N 1.0 -52.6 -32.6 PSI 69 69 A 54 SER C A 55 CYS N A 55 CYS CA A 55 CYS C 1.0 -75.9 -55.5 PHI 70 70 A 55 CYS N A 55 CYS CA A 55 CYS C A 56 VAL N 1.0 -55.9 -26.7 PSI 71 71 A 55 CYS C A 56 VAL N A 56 VAL CA A 56 VAL C 1.0 -72.3 -49.7 PHI 72 72 A 56 VAL N A 56 VAL CA A 56 VAL C A 57 GLU N 1.0 -54.8 -34.8 PSI 73 73 A 56 VAL C A 57 GLU N A 57 GLU CA A 57 GLU C 1.0 -70.8 -50.8 PHI 74 74 A 57 GLU N A 57 GLU CA A 57 GLU C A 58 TYR N 1.0 -53.4 -31.6 PSI 75 75 A 57 GLU C A 58 TYR N A 58 TYR CA A 58 TYR C 1.0 -79.0 -55.8 PHI 76 76 A 58 TYR N A 58 TYR CA A 58 TYR C A 59 VAL N 1.0 -62.2 -13.2 PSI 77 77 A 58 TYR C A 59 VAL N A 59 VAL CA A 59 VAL C 1.0 -73.6 -53.6 PHI 78 78 A 59 VAL N A 59 VAL CA A 59 VAL C A 60 ASP N 1.0 -52.6 -32.6 PSI 79 79 A 59 VAL C A 60 ASP N A 60 ASP CA A 60 ASP C 1.0 -72.6 -51.6 PHI 80 80 A 60 ASP N A 60 ASP CA A 60 ASP C A 61 GLN N 1.0 -63.1 -17.3 PSI 81 81 A 60 ASP C A 61 GLN N A 61 GLN CA A 61 GLN C 1.0 -95.2 -52.8 PHI 82 82 A 61 GLN N A 61 GLN CA A 61 GLN C A 62 HIS N 1.0 -58.0 -2.4 PSI 83 83 A 61 GLN C A 62 HIS N A 62 HIS CA A 62 HIS C 1.0 -94.1 -41.7 PHI 84 84 A 62 HIS N A 62 HIS CA A 62 HIS C A 63 TRP N 1.0 -69.3 12.9 PSI 85 85 A 62 HIS C A 63 TRP N A 63 TRP CA A 63 TRP C 1.0 -109.4 -36.6 PHI 86 86 A 63 TRP N A 63 TRP CA A 63 TRP C A 64 THR N 1.0 -73.7 13.1 PSI stop_ save_