data_nef_c15701_2k2d 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_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 40 CYS SG 2 1 ZN ZN 1 43 CYS SG 2 1 ZN ZN 1 58 CYS SG 2 1 ZN ZN 1 61 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 GLY start . false 2 A 2 SER middle . . 3 A 3 HIS middle . . 4 A 4 MET middle . . 5 A 5 MET middle . . 6 A 6 HIS middle . . 7 A 7 SER middle . . 8 A 8 ALA middle . . 9 A 9 LEU middle . . 10 A 10 ASP middle . . 11 A 11 MET middle . . 12 A 12 THR middle . . 13 A 13 ARG middle . . 14 A 14 TYR middle . . 15 A 15 TRP middle . . 16 A 16 ARG middle . . 17 A 17 GLN middle . . 18 A 18 LEU middle . . 19 A 19 ASP middle . . 20 A 20 ASP middle . . 21 A 21 GLU middle . . 22 A 22 VAL middle . . 23 A 23 ALA middle . . 24 A 24 GLN middle . . 25 A 25 THR middle . . 26 A 26 PRO middle . false 27 A 27 MET middle . . 28 A 28 PRO middle . false 29 A 29 SER middle . . 30 A 30 GLU middle . . 31 A 31 TYR middle . . 32 A 32 GLN middle . . 33 A 33 ASN middle . . 34 A 34 MET middle . . 35 A 35 THR middle . . 36 A 36 VAL middle . . 37 A 37 ASP middle . . 38 A 38 ILE middle . . 39 A 39 LEU middle . . 40 A 40 CYS middle -HG . 41 A 41 ASN middle . . 42 A 42 ASP middle . . 43 A 43 CYS middle -HG . 44 A 44 ASN middle . . 45 A 45 GLY middle . false 46 A 46 ARG middle . . 47 A 47 SER middle . . 48 A 48 THR middle . . 49 A 49 VAL middle . . 50 A 50 GLN middle . . 51 A 51 PHE middle . . 52 A 52 HIS middle . . 53 A 53 ILE middle . . 54 A 54 LEU middle . . 55 A 55 GLY middle . false 56 A 56 MET middle . . 57 A 57 LYS middle . . 58 A 58 CYS middle -HG . 59 A 59 LYS middle . . 60 A 60 ILE middle . . 61 A 61 CYS middle -HG . 62 A 62 GLU middle . . 63 A 63 SER middle . . 64 A 64 TYR middle . . 65 A 65 ASN middle . . 66 A 66 THR middle . . 67 A 67 ALA middle . . 68 A 68 GLN middle . . 69 A 69 ALA middle . . 70 A 70 GLY middle . false 71 A 71 GLY middle . false 72 A 72 ARG middle . . 73 A 73 ARG middle . . 74 A 74 ILE middle . . 75 A 75 SER middle . . 76 A 76 LEU middle . . 77 A 77 ASP middle . . 78 A 78 GLN middle . . 79 A 79 GLN end . . 80 B 1 ZN . . . 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 GLY HAy H 1 4.44 0.0300 A 1 GLY HAx H 1 3.72 0.0300 A 1 GLY CA C 13 44.81 0.4000 A 2 SER H H 1 8.70 0.0300 A 2 SER N N 15 121.24 0.4000 A 4 MET HA H 1 4.30 0.0300 A 4 MET HBy H 1 2.11 0.0300 A 4 MET HBx H 1 1.94 0.0300 A 4 MET HGx H 1 2.30 0.0300 A 4 MET HGy H 1 2.30 0.0300 A 4 MET C C 13 172.22 0.4000 A 4 MET CA C 13 55.62 0.4000 A 4 MET CB C 13 29.60 0.4000 A 4 MET CG C 13 33.97 0.4000 A 5 MET H H 1 7.98 0.0300 A 5 MET HA H 1 4.11 0.0300 A 5 MET HBy H 1 2.09 0.0300 A 5 MET HBx H 1 1.89 0.0300 A 5 MET HGx H 1 2.26 0.0300 A 5 MET HGy H 1 2.26 0.0300 A 5 MET CA C 13 57.64 0.4000 A 5 MET CB C 13 30.34 0.4000 A 5 MET CG C 13 34.52 0.4000 A 5 MET N N 15 126.78 0.4000 A 6 HIS HA H 1 4.57 0.0300 A 6 HIS HBx H 1 3.03 0.0300 A 6 HIS HBy H 1 3.03 0.0300 A 6 HIS HD2 H 1 6.93 0.0300 A 6 HIS HE1 H 1 7.50 0.0300 A 6 HIS CA C 13 56.65 0.4000 A 6 HIS CB C 13 31.07 0.4000 A 6 HIS CD2 C 13 117.10 0.4000 A 6 HIS CE1 C 13 134.90 0.4000 A 7 SER HA H 1 4.12 0.0300 A 7 SER HBx H 1 3.87 0.0300 A 7 SER HBy H 1 3.87 0.0300 A 7 SER CA C 13 60.90 0.4000 A 7 SER CB C 13 63.39 0.4000 A 8 ALA HA H 1 4.27 0.0300 A 8 ALA HB% H 1 1.36 0.0300 A 8 ALA C C 13 175.24 0.4000 A 8 ALA CA C 13 52.89 0.4000 A 8 ALA CB C 13 19.15 0.4000 A 9 LEU H H 1 8.03 0.0300 A 9 LEU HA H 1 4.21 0.0300 A 9 LEU HBx H 1 1.57 0.0300 A 9 LEU HBy H 1 1.57 0.0300 A 9 LEU HDx% H 1 0.78 0.0300 A 9 LEU HDy% H 1 0.84 0.0300 A 9 LEU HG H 1 1.47 0.0300 A 9 LEU C C 13 171.29 0.4000 A 9 LEU CA C 13 55.69 0.4000 A 9 LEU CB C 13 42.37 0.4000 A 9 LEU CD1 C 13 24.92 0.4000 A 9 LEU CD2 C 13 23.32 0.4000 A 9 LEU CG C 13 27.00 0.4000 A 9 LEU N N 15 120.26 0.4000 A 11 MET H H 1 8.07 0.0300 A 11 MET HA H 1 4.36 0.0300 A 11 MET HBx H 1 2.39 0.0300 A 11 MET HBy H 1 2.39 0.0300 A 11 MET HGx H 1 1.95 0.0300 A 11 MET HGy H 1 1.95 0.0300 A 11 MET C C 13 174.36 0.4000 A 11 MET CA C 13 56.00 0.4000 A 11 MET CB C 13 31.89 0.4000 A 11 MET CG C 13 32.60 0.4000 A 11 MET N N 15 120.32 0.4000 A 12 THR H H 1 8.12 0.0300 A 12 THR HA H 1 4.01 0.0300 A 12 THR HB H 1 4.17 0.0300 A 12 THR HG2% H 1 1.21 0.0300 A 12 THR C C 13 173.19 0.4000 A 12 THR CA C 13 65.05 0.4000 A 12 THR CB C 13 69.04 0.4000 A 12 THR CG2 C 13 21.60 0.4000 A 12 THR N N 15 113.77 0.4000 A 13 ARG H H 1 7.88 0.0300 A 13 ARG HA H 1 4.06 0.0300 A 13 ARG HBx H 1 1.68 0.0300 A 13 ARG HBy H 1 1.68 0.0300 A 13 ARG HDx H 1 3.08 0.0300 A 13 ARG HDy H 1 3.08 0.0300 A 13 ARG HGx H 1 1.47 0.0300 A 13 ARG HGy H 1 1.47 0.0300 A 13 ARG C C 13 174.72 0.4000 A 13 ARG CA C 13 57.90 0.4000 A 13 ARG CB C 13 30.11 0.4000 A 13 ARG CD C 13 43.41 0.4000 A 13 ARG CG C 13 26.91 0.4000 A 13 ARG N N 15 120.97 0.4000 A 14 TYR H H 1 7.80 0.0300 A 14 TYR HA H 1 4.33 0.0300 A 14 TYR HBx H 1 2.84 0.0300 A 14 TYR HBy H 1 2.84 0.0300 A 14 TYR HD1 H 1 6.82 0.0300 A 14 TYR HD2 H 1 6.82 0.0300 A 14 TYR HE1 H 1 6.64 0.0300 A 14 TYR HE2 H 1 6.64 0.0300 A 14 TYR C C 13 174.09 0.4000 A 14 TYR CA C 13 59.72 0.4000 A 14 TYR CB C 13 38.21 0.4000 A 14 TYR CD1 C 13 130.50 0.4000 A 14 TYR CD2 C 13 130.50 0.4000 A 14 TYR CE1 C 13 115.40 0.4000 A 14 TYR CE2 C 13 115.40 0.4000 A 14 TYR N N 15 120.40 0.4000 A 15 TRP H H 1 8.12 0.0300 A 15 TRP HA H 1 4.61 0.0300 A 15 TRP HBy H 1 3.45 0.0300 A 15 TRP HBx H 1 3.35 0.0300 A 15 TRP HD1 H 1 7.19 0.0300 A 15 TRP HE1 H 1 10.33 0.0300 A 15 TRP HE3 H 1 7.52 0.0300 A 15 TRP HH2 H 1 7.09 0.0300 A 15 TRP HZ2 H 1 7.50 0.0300 A 15 TRP HZ3 H 1 7.20 0.0300 A 15 TRP C C 13 174.13 0.4000 A 15 TRP CA C 13 57.94 0.4000 A 15 TRP CB C 13 29.62 0.4000 A 15 TRP CD1 C 13 124.30 0.4000 A 15 TRP CE3 C 13 118.50 0.4000 A 15 TRP CZ2 C 13 112.10 0.4000 A 15 TRP CZ3 C 13 122.10 0.4000 A 15 TRP N N 15 120.37 0.4000 A 15 TRP NE1 N 15 129.21 0.4000 A 16 ARG H H 1 7.86 0.0300 A 16 ARG HA H 1 4.19 0.0300 A 16 ARG HBx H 1 1.80 0.0300 A 16 ARG HBy H 1 1.80 0.0300 A 16 ARG HDx H 1 3.19 0.0300 A 16 ARG HDy H 1 3.19 0.0300 A 16 ARG HGx H 1 1.59 0.0300 A 16 ARG HGy H 1 1.59 0.0300 A 16 ARG CA C 13 57.59 0.4000 A 16 ARG CB C 13 30.64 0.4000 A 16 ARG CD C 13 43.38 0.4000 A 16 ARG CG C 13 27.02 0.4000 A 16 ARG N N 15 119.77 0.4000 A 17 GLN HA H 1 4.12 0.0300 A 17 GLN HBx H 1 2.05 0.0300 A 17 GLN HBy H 1 2.05 0.0300 A 17 GLN HGx H 1 2.35 0.0300 A 17 GLN HGy H 1 2.35 0.0300 A 17 GLN C C 13 174.83 0.4000 A 17 GLN CA C 13 57.41 0.4000 A 17 GLN CB C 13 28.56 0.4000 A 17 GLN CG C 13 33.96 0.4000 A 18 LEU H H 1 8.04 0.0300 A 18 LEU HA H 1 4.06 0.0300 A 18 LEU HBx H 1 1.30 0.0300 A 18 LEU HBy H 1 1.30 0.0300 A 18 LEU HDx% H 1 0.64 0.0300 A 18 LEU HDy% H 1 0.50 0.0300 A 18 LEU HG H 1 1.18 0.0300 A 18 LEU C C 13 174.38 0.4000 A 18 LEU CA C 13 56.65 0.4000 A 18 LEU CB C 13 41.63 0.4000 A 18 LEU CD1 C 13 24.47 0.4000 A 18 LEU CD2 C 13 23.98 0.4000 A 18 LEU CG C 13 26.77 0.4000 A 18 LEU N N 15 122.82 0.4000 A 19 ASP H H 1 8.24 0.0300 A 19 ASP HA H 1 4.44 0.0300 A 19 ASP HBy H 1 2.69 0.0300 A 19 ASP HBx H 1 2.63 0.0300 A 19 ASP C C 13 174.53 0.4000 A 19 ASP CA C 13 56.00 0.4000 A 19 ASP CB C 13 40.87 0.4000 A 19 ASP N N 15 119.10 0.4000 A 20 ASP H H 1 8.08 0.0300 A 20 ASP HA H 1 4.44 0.0300 A 20 ASP HBy H 1 2.69 0.0300 A 20 ASP HBx H 1 2.63 0.0300 A 20 ASP CA C 13 56.00 0.4000 A 20 ASP CB C 13 40.87 0.4000 A 20 ASP N N 15 121.04 0.4000 A 21 GLU HA H 1 4.21 0.0300 A 21 GLU HBy H 1 2.03 0.0300 A 21 GLU HBx H 1 1.95 0.0300 A 21 GLU HGy H 1 2.26 0.0300 A 21 GLU HGx H 1 2.18 0.0300 A 21 GLU C C 13 174.11 0.4000 A 21 GLU CA C 13 57.07 0.4000 A 21 GLU CB C 13 30.19 0.4000 A 21 GLU CG C 13 36.45 0.4000 A 22 VAL H H 1 7.99 0.0300 A 22 VAL HA H 1 4.02 0.0300 A 22 VAL HB H 1 2.05 0.0300 A 22 VAL HGx% H 1 0.89 0.0300 A 22 VAL C C 13 173.34 0.4000 A 22 VAL CA C 13 62.47 0.4000 A 22 VAL CB C 13 32.52 0.4000 A 22 VAL CG1 C 13 21.05 0.4000 A 22 VAL N N 15 120.03 0.4000 A 23 ALA H H 1 8.21 0.0300 A 23 ALA HA H 1 4.26 0.0300 A 23 ALA HB% H 1 1.36 0.0300 A 23 ALA C C 13 174.93 0.4000 A 23 ALA CA C 13 52.66 0.4000 A 23 ALA CB C 13 19.11 0.4000 A 23 ALA N N 15 126.48 0.4000 A 24 GLN H H 1 8.24 0.0300 A 24 GLN HA H 1 4.34 0.0300 A 24 GLN HBy H 1 2.18 0.0300 A 24 GLN HBx H 1 1.97 0.0300 A 24 GLN HE2x H 1 6.85 0.0300 A 24 GLN HE2y H 1 7.46 0.0300 A 24 GLN HGx H 1 2.39 0.0300 A 24 GLN HGy H 1 2.39 0.0300 A 24 GLN C C 13 173.00 0.4000 A 24 GLN CA C 13 55.65 0.4000 A 24 GLN CB C 13 29.65 0.4000 A 24 GLN CG C 13 33.85 0.4000 A 24 GLN N N 15 118.91 0.4000 A 24 GLN NE2 N 15 111.77 0.4000 A 25 THR H H 1 7.83 0.0300 A 25 THR HA H 1 4.62 0.0300 A 25 THR HB H 1 4.15 0.0300 A 25 THR HG2% H 1 1.23 0.0300 A 25 THR CA C 13 59.88 0.4000 A 25 THR CB C 13 69.79 0.4000 A 25 THR CG2 C 13 21.14 0.4000 A 25 THR N N 15 117.99 0.4000 A 26 PRO HA H 1 4.50 0.0300 A 26 PRO HBy H 1 2.25 0.0300 A 26 PRO HBx H 1 1.83 0.0300 A 26 PRO HDy H 1 3.76 0.0300 A 26 PRO HDx H 1 3.72 0.0300 A 26 PRO HGx H 1 1.97 0.0300 A 26 PRO HGy H 1 1.97 0.0300 A 26 PRO C C 13 174.21 0.4000 A 26 PRO CA C 13 62.76 0.4000 A 26 PRO CB C 13 32.04 0.4000 A 26 PRO CD C 13 50.94 0.4000 A 26 PRO CG C 13 27.35 0.4000 A 27 MET H H 1 8.58 0.0300 A 27 MET HA H 1 4.71 0.0300 A 27 MET HBx H 1 1.93 0.0300 A 27 MET HBy H 1 1.93 0.0300 A 27 MET HE% H 1 1.86 0.0300 A 27 MET HGx H 1 2.36 0.0300 A 27 MET HGy H 1 2.61 0.0300 A 27 MET CA C 13 52.82 0.4000 A 27 MET CB C 13 32.71 0.4000 A 27 MET CE C 13 17.17 0.4000 A 27 MET CG C 13 32.71 0.4000 A 27 MET N N 15 120.94 0.4000 A 28 PRO HA H 1 4.44 0.0300 A 28 PRO HBy H 1 2.41 0.0300 A 28 PRO HBx H 1 1.92 0.0300 A 28 PRO HDy H 1 3.88 0.0300 A 28 PRO HDx H 1 3.55 0.0300 A 28 PRO HGx H 1 2.03 0.0300 A 28 PRO HGy H 1 2.03 0.0300 A 28 PRO C C 13 174.69 0.4000 A 28 PRO CA C 13 63.11 0.4000 A 28 PRO CB C 13 32.30 0.4000 A 28 PRO CD C 13 50.68 0.4000 A 28 PRO CG C 13 27.95 0.4000 A 29 SER H H 1 8.60 0.0300 A 29 SER HA H 1 4.12 0.0300 A 29 SER HBx H 1 3.87 0.0300 A 29 SER HBy H 1 3.87 0.0300 A 29 SER CA C 13 60.90 0.4000 A 29 SER CB C 13 63.39 0.4000 A 29 SER N N 15 117.27 0.4000 A 30 GLU HA H 1 4.11 0.0300 A 30 GLU HBx H 1 1.78 0.0300 A 30 GLU HBy H 1 1.78 0.0300 A 30 GLU HGy H 1 1.96 0.0300 A 30 GLU HGx H 1 1.89 0.0300 A 30 GLU C C 13 173.93 0.4000 A 30 GLU CA C 13 58.00 0.4000 A 30 GLU CB C 13 28.99 0.4000 A 30 GLU CG C 13 35.97 0.4000 A 31 TYR H H 1 7.90 0.0300 A 31 TYR HA H 1 4.64 0.0300 A 31 TYR HBy H 1 3.29 0.0300 A 31 TYR HBx H 1 2.74 0.0300 A 31 TYR HD1 H 1 7.00 0.0300 A 31 TYR HD2 H 1 7.00 0.0300 A 31 TYR HE1 H 1 6.73 0.0300 A 31 TYR HE2 H 1 6.73 0.0300 A 31 TYR C C 13 173.37 0.4000 A 31 TYR CA C 13 57.61 0.4000 A 31 TYR CB C 13 39.00 0.4000 A 31 TYR CD1 C 13 130.30 0.4000 A 31 TYR CD2 C 13 130.30 0.4000 A 31 TYR CE1 C 13 115.50 0.4000 A 31 TYR CE2 C 13 115.50 0.4000 A 31 TYR N N 15 117.75 0.4000 A 32 GLN H H 1 7.75 0.0300 A 32 GLN HA H 1 4.15 0.0300 A 32 GLN HBx H 1 2.04 0.0300 A 32 GLN HBy H 1 2.04 0.0300 A 32 GLN HGx H 1 2.35 0.0300 A 32 GLN HGy H 1 2.35 0.0300 A 32 GLN C C 13 173.10 0.4000 A 32 GLN CA C 13 57.22 0.4000 A 32 GLN CB C 13 29.19 0.4000 A 32 GLN CG C 13 33.67 0.4000 A 32 GLN N N 15 119.88 0.4000 A 33 ASN H H 1 8.52 0.0300 A 33 ASN HA H 1 4.69 0.0300 A 33 ASN HBy H 1 2.93 0.0300 A 33 ASN HBx H 1 2.75 0.0300 A 33 ASN HD2x H 1 6.92 0.0300 A 33 ASN HD2y H 1 7.58 0.0300 A 33 ASN CA C 13 53.37 0.4000 A 33 ASN CB C 13 38.39 0.4000 A 33 ASN N N 15 117.22 0.4000 A 33 ASN ND2 N 15 113.20 0.4000 A 34 MET HA H 1 4.62 0.0300 A 34 MET HBy H 1 2.09 0.0300 A 34 MET HBx H 1 2.03 0.0300 A 34 MET HE% H 1 1.86 0.0300 A 34 MET HGy H 1 2.50 0.0300 A 34 MET HGx H 1 2.31 0.0300 A 34 MET C C 13 172.40 0.4000 A 34 MET CA C 13 55.83 0.4000 A 34 MET CB C 13 34.15 0.4000 A 34 MET CE C 13 17.17 0.4000 A 34 MET CG C 13 32.02 0.4000 A 35 THR H H 1 8.28 0.0300 A 35 THR HA H 1 5.03 0.0300 A 35 THR HB H 1 3.92 0.0300 A 35 THR HG2% H 1 1.00 0.0300 A 35 THR C C 13 171.20 0.4000 A 35 THR CA C 13 60.37 0.4000 A 35 THR CB C 13 71.11 0.4000 A 35 THR CG2 C 13 21.81 0.4000 A 35 THR N N 15 116.75 0.4000 A 36 VAL H H 1 9.24 0.0300 A 36 VAL HA H 1 4.56 0.0300 A 36 VAL HB H 1 2.10 0.0300 A 36 VAL HGx% H 1 0.86 0.0300 A 36 VAL HGy% H 1 0.86 0.0300 A 36 VAL C C 13 170.52 0.4000 A 36 VAL CA C 13 59.74 0.4000 A 36 VAL CB C 13 36.04 0.4000 A 36 VAL CG1 C 13 22.20 0.4000 A 36 VAL CG2 C 13 20.59 0.4000 A 36 VAL N N 15 117.88 0.4000 A 37 ASP H H 1 8.33 0.0300 A 37 ASP HA H 1 5.47 0.0300 A 37 ASP HBx H 1 2.57 0.0300 A 37 ASP HBy H 1 2.57 0.0300 A 37 ASP C C 13 173.81 0.4000 A 37 ASP CA C 13 53.14 0.4000 A 37 ASP CB C 13 40.96 0.4000 A 37 ASP N N 15 123.58 0.4000 A 38 ILE H H 1 9.31 0.0300 A 38 ILE HA H 1 5.06 0.0300 A 38 ILE HB H 1 1.53 0.0300 A 38 ILE HD1% H 1 0.51 0.0300 A 38 ILE HG1x H 1 1.46 0.0300 A 38 ILE HG1y H 1 1.46 0.0300 A 38 ILE HG2% H 1 0.68 0.0300 A 38 ILE C C 13 171.70 0.4000 A 38 ILE CA C 13 59.26 0.4000 A 38 ILE CB C 13 43.15 0.4000 A 38 ILE CD1 C 13 14.87 0.4000 A 38 ILE CG1 C 13 25.27 0.4000 A 38 ILE CG2 C 13 18.96 0.4000 A 38 ILE N N 15 116.25 0.4000 A 39 LEU H H 1 8.84 0.0300 A 39 LEU HA H 1 4.83 0.0300 A 39 LEU HBy H 1 1.54 0.0300 A 39 LEU HBx H 1 1.23 0.0300 A 39 LEU HDx% H 1 0.80 0.0300 A 39 LEU HDy% H 1 0.72 0.0300 A 39 LEU HG H 1 1.26 0.0300 A 39 LEU C C 13 172.35 0.4000 A 39 LEU CA C 13 53.06 0.4000 A 39 LEU CB C 13 45.38 0.4000 A 39 LEU CD1 C 13 25.24 0.4000 A 39 LEU CD2 C 13 23.80 0.4000 A 39 LEU CG C 13 27.35 0.4000 A 39 LEU N N 15 121.57 0.4000 A 40 CYS H H 1 8.46 0.0300 A 40 CYS HA H 1 4.39 0.0300 A 40 CYS HBy H 1 3.26 0.0300 A 40 CYS HBx H 1 2.63 0.0300 A 40 CYS C C 13 174.41 0.4000 A 40 CYS CA C 13 58.53 0.4000 A 40 CYS CB C 13 33.41 0.4000 A 40 CYS N N 15 127.49 0.4000 A 41 ASN H H 1 9.28 0.0300 A 41 ASN HA H 1 4.62 0.0300 A 41 ASN HBy H 1 2.79 0.0300 A 41 ASN HBx H 1 2.56 0.0300 A 41 ASN HD2x H 1 6.63 0.0300 A 41 ASN HD2y H 1 6.96 0.0300 A 41 ASN C C 13 172.28 0.4000 A 41 ASN CA C 13 54.86 0.4000 A 41 ASN CB C 13 38.71 0.4000 A 41 ASN N N 15 126.32 0.4000 A 41 ASN ND2 N 15 111.90 0.4000 A 42 ASP H H 1 9.36 0.0300 A 42 ASP HA H 1 4.94 0.0300 A 42 ASP HBy H 1 2.77 0.0300 A 42 ASP HBx H 1 2.62 0.0300 A 42 ASP C C 13 174.40 0.4000 A 42 ASP CA C 13 56.65 0.4000 A 42 ASP CB C 13 41.91 0.4000 A 42 ASP N N 15 123.07 0.4000 A 43 CYS H H 1 9.26 0.0300 A 43 CYS HA H 1 4.94 0.0300 A 43 CYS HBy H 1 3.20 0.0300 A 43 CYS HBx H 1 2.68 0.0300 A 43 CYS C C 13 174.14 0.4000 A 43 CYS CA C 13 58.59 0.4000 A 43 CYS CB C 13 31.96 0.4000 A 43 CYS N N 15 121.59 0.4000 A 44 ASN H H 1 7.65 0.0300 A 44 ASN HA H 1 4.77 0.0300 A 44 ASN HBy H 1 3.07 0.0300 A 44 ASN HBx H 1 2.94 0.0300 A 44 ASN HD2x H 1 6.75 0.0300 A 44 ASN HD2y H 1 7.44 0.0300 A 44 ASN C C 13 171.35 0.4000 A 44 ASN CA C 13 55.45 0.4000 A 44 ASN CB C 13 37.97 0.4000 A 44 ASN N N 15 118.00 0.4000 A 44 ASN ND2 N 15 112.20 0.4000 A 45 GLY H H 1 9.22 0.0300 A 45 GLY HAy H 1 4.21 0.0300 A 45 GLY HAx H 1 3.51 0.0300 A 45 GLY C C 13 170.73 0.4000 A 45 GLY CA C 13 44.13 0.4000 A 45 GLY N N 15 111.32 0.4000 A 46 ARG H H 1 8.60 0.0300 A 46 ARG HA H 1 5.42 0.0300 A 46 ARG HBy H 1 1.82 0.0300 A 46 ARG HBx H 1 1.61 0.0300 A 46 ARG HDx H 1 3.12 0.0300 A 46 ARG HDy H 1 3.12 0.0300 A 46 ARG HGy H 1 1.59 0.0300 A 46 ARG HGx H 1 1.48 0.0300 A 46 ARG C C 13 172.90 0.4000 A 46 ARG CA C 13 54.46 0.4000 A 46 ARG CB C 13 32.27 0.4000 A 46 ARG CD C 13 43.08 0.4000 A 46 ARG CG C 13 28.27 0.4000 A 46 ARG N N 15 124.92 0.4000 A 47 SER H H 1 8.35 0.0300 A 47 SER HA H 1 4.79 0.0300 A 47 SER HBy H 1 3.73 0.0300 A 47 SER HBx H 1 3.57 0.0300 A 47 SER C C 13 170.83 0.4000 A 47 SER CA C 13 57.72 0.4000 A 47 SER CB C 13 66.39 0.4000 A 47 SER N N 15 115.75 0.4000 A 48 THR H H 1 8.57 0.0300 A 48 THR HA H 1 5.21 0.0300 A 48 THR HB H 1 3.74 0.0300 A 48 THR HG2% H 1 1.12 0.0300 A 48 THR C C 13 171.92 0.4000 A 48 THR CA C 13 62.35 0.4000 A 48 THR CB C 13 70.32 0.4000 A 48 THR CG2 C 13 21.88 0.4000 A 48 THR N N 15 120.42 0.4000 A 49 VAL H H 1 9.02 0.0300 A 49 VAL HA H 1 4.80 0.0300 A 49 VAL HB H 1 2.24 0.0300 A 49 VAL HGx% H 1 0.88 0.0300 A 49 VAL HGy% H 1 0.68 0.0300 A 49 VAL C C 13 171.70 0.4000 A 49 VAL CA C 13 58.54 0.4000 A 49 VAL CB C 13 36.42 0.4000 A 49 VAL CG1 C 13 21.96 0.4000 A 49 VAL CG2 C 13 19.23 0.4000 A 49 VAL N N 15 119.32 0.4000 A 50 GLN H H 1 8.32 0.0300 A 50 GLN HA H 1 4.45 0.0300 A 50 GLN HBx H 1 2.03 0.0300 A 50 GLN HBy H 1 2.03 0.0300 A 50 GLN HE2x H 1 6.88 0.0300 A 50 GLN HE2y H 1 7.67 0.0300 A 50 GLN HGx H 1 2.44 0.0300 A 50 GLN HGy H 1 2.44 0.0300 A 50 GLN C C 13 173.27 0.4000 A 50 GLN CA C 13 55.86 0.4000 A 50 GLN CB C 13 29.25 0.4000 A 50 GLN CG C 13 34.24 0.4000 A 50 GLN N N 15 119.39 0.4000 A 50 GLN NE2 N 15 112.20 0.4000 A 51 PHE H H 1 8.69 0.0300 A 51 PHE HA H 1 4.43 0.0300 A 51 PHE HBy H 1 2.89 0.0300 A 51 PHE HBx H 1 2.81 0.0300 A 51 PHE HD1 H 1 6.99 0.0300 A 51 PHE HD2 H 1 6.99 0.0300 A 51 PHE HE1 H 1 7.05 0.0300 A 51 PHE HE2 H 1 7.05 0.0300 A 51 PHE C C 13 171.97 0.4000 A 51 PHE CA C 13 58.85 0.4000 A 51 PHE CB C 13 40.10 0.4000 A 51 PHE CD1 C 13 129.10 0.4000 A 51 PHE CD2 C 13 129.10 0.4000 A 51 PHE CE1 C 13 128.70 0.4000 A 51 PHE CE2 C 13 128.70 0.4000 A 51 PHE N N 15 125.01 0.4000 A 52 HIS H H 1 6.48 0.0300 A 52 HIS HA H 1 4.10 0.0300 A 52 HIS HBy H 1 3.10 0.0300 A 52 HIS HBx H 1 2.81 0.0300 A 52 HIS HD2 H 1 7.17 0.0300 A 52 HIS HE1 H 1 7.50 0.0300 A 52 HIS CA C 13 57.23 0.4000 A 52 HIS CB C 13 34.13 0.4000 A 52 HIS CD2 C 13 116.30 0.4000 A 52 HIS CE1 C 13 134.90 0.4000 A 52 HIS N N 15 126.10 0.4000 A 53 ILE HA H 1 3.76 0.0300 A 53 ILE HB H 1 1.67 0.0300 A 53 ILE HD1% H 1 0.88 0.0300 A 53 ILE HG1y H 1 1.38 0.0300 A 53 ILE HG1x H 1 1.11 0.0300 A 53 ILE HG2% H 1 0.83 0.0300 A 53 ILE CA C 13 62.78 0.4000 A 53 ILE CB C 13 38.92 0.4000 A 53 ILE CD1 C 13 13.94 0.4000 A 53 ILE CG1 C 13 28.05 0.4000 A 53 ILE CG2 C 13 18.18 0.4000 A 54 LEU HA H 1 4.37 0.0300 A 54 LEU HBy H 1 1.70 0.0300 A 54 LEU HBx H 1 1.45 0.0300 A 54 LEU HDx% H 1 0.68 0.0300 A 54 LEU HDy% H 1 0.81 0.0300 A 54 LEU HG H 1 1.66 0.0300 A 54 LEU C C 13 174.46 0.4000 A 54 LEU CA C 13 55.43 0.4000 A 54 LEU CB C 13 41.76 0.4000 A 54 LEU CD1 C 13 25.09 0.4000 A 54 LEU CD2 C 13 22.34 0.4000 A 54 LEU CG C 13 27.11 0.4000 A 55 GLY H H 1 7.10 0.0300 A 55 GLY HAy H 1 4.28 0.0300 A 55 GLY HAx H 1 3.76 0.0300 A 55 GLY C C 13 182.88 0.4000 A 55 GLY CA C 13 45.07 0.4000 A 55 GLY N N 15 106.00 0.4000 A 56 MET H H 1 8.65 0.0300 A 56 MET HA H 1 4.50 0.0300 A 56 MET HBy H 1 1.86 0.0300 A 56 MET HBx H 1 1.66 0.0300 A 56 MET HE% H 1 2.00 0.0300 A 56 MET HGy H 1 2.52 0.0300 A 56 MET HGx H 1 2.42 0.0300 A 56 MET C C 13 170.32 0.4000 A 56 MET CA C 13 55.11 0.4000 A 56 MET CB C 13 35.27 0.4000 A 56 MET CE C 13 16.93 0.4000 A 56 MET CG C 13 32.76 0.4000 A 56 MET N N 15 120.63 0.4000 A 57 LYS H H 1 7.85 0.0300 A 57 LYS HA H 1 3.52 0.0300 A 57 LYS HBy H 1 0.97 0.0300 A 57 LYS HBx H 1 0.68 0.0300 A 57 LYS HDy H 1 1.35 0.0300 A 57 LYS HDx H 1 1.31 0.0300 A 57 LYS HEx H 1 2.74 0.0300 A 57 LYS HEy H 1 2.74 0.0300 A 57 LYS HGy H 1 0.56 0.0300 A 57 LYS HGx H 1 0.31 0.0300 A 57 LYS C C 13 172.23 0.4000 A 57 LYS CA C 13 54.85 0.4000 A 57 LYS CB C 13 33.42 0.4000 A 57 LYS CD C 13 29.33 0.4000 A 57 LYS CE C 13 41.65 0.4000 A 57 LYS CG C 13 23.84 0.4000 A 57 LYS N N 15 125.14 0.4000 A 58 CYS H H 1 8.68 0.0300 A 58 CYS HA H 1 3.63 0.0300 A 58 CYS HBy H 1 2.84 0.0300 A 58 CYS HBx H 1 2.55 0.0300 A 58 CYS C C 13 175.08 0.4000 A 58 CYS CA C 13 60.10 0.4000 A 58 CYS CB C 13 30.62 0.4000 A 58 CYS N N 15 126.47 0.4000 A 59 LYS H H 1 7.45 0.0300 A 59 LYS HA H 1 4.02 0.0300 A 59 LYS HBy H 1 1.86 0.0300 A 59 LYS HBx H 1 1.68 0.0300 A 59 LYS HDx H 1 1.74 0.0300 A 59 LYS HDy H 1 1.74 0.0300 A 59 LYS HEx H 1 3.06 0.0300 A 59 LYS HEy H 1 3.06 0.0300 A 59 LYS HGy H 1 1.52 0.0300 A 59 LYS HGx H 1 1.46 0.0300 A 59 LYS C C 13 173.46 0.4000 A 59 LYS CA C 13 57.85 0.4000 A 59 LYS CB C 13 33.08 0.4000 A 59 LYS CD C 13 29.20 0.4000 A 59 LYS CE C 13 41.96 0.4000 A 59 LYS CG C 13 25.55 0.4000 A 59 LYS N N 15 128.51 0.4000 A 60 ILE H H 1 9.12 0.0300 A 60 ILE HA H 1 3.84 0.0300 A 60 ILE HB H 1 1.92 0.0300 A 60 ILE HD1% H 1 0.78 0.0300 A 60 ILE HG1y H 1 1.36 0.0300 A 60 ILE HG1x H 1 1.03 0.0300 A 60 ILE HG2% H 1 0.83 0.0300 A 60 ILE C C 13 174.92 0.4000 A 60 ILE CA C 13 63.99 0.4000 A 60 ILE CB C 13 38.51 0.4000 A 60 ILE CD1 C 13 14.15 0.4000 A 60 ILE CG1 C 13 28.33 0.4000 A 60 ILE CG2 C 13 18.40 0.4000 A 60 ILE N N 15 122.83 0.4000 A 61 CYS H H 1 8.90 0.0300 A 61 CYS HA H 1 4.96 0.0300 A 61 CYS HBy H 1 3.17 0.0300 A 61 CYS HBx H 1 2.42 0.0300 A 61 CYS C C 13 173.53 0.4000 A 61 CYS CA C 13 58.75 0.4000 A 61 CYS CB C 13 32.74 0.4000 A 61 CYS N N 15 120.65 0.4000 A 62 GLU H H 1 7.24 0.0300 A 62 GLU HA H 1 3.83 0.0300 A 62 GLU HBx H 1 2.14 0.0300 A 62 GLU HBy H 1 2.45 0.0300 A 62 GLU HGy H 1 2.03 0.0300 A 62 GLU HGx H 1 1.92 0.0300 A 62 GLU C C 13 170.72 0.4000 A 62 GLU CA C 13 58.96 0.4000 A 62 GLU CB C 13 26.79 0.4000 A 62 GLU CG C 13 36.92 0.4000 A 62 GLU N N 15 114.65 0.4000 A 63 SER H H 1 8.13 0.0300 A 63 SER HA H 1 4.39 0.0300 A 63 SER HBx H 1 3.87 0.0300 A 63 SER HBy H 1 3.87 0.0300 A 63 SER CA C 13 58.13 0.4000 A 63 SER CB C 13 64.18 0.4000 A 63 SER N N 15 114.69 0.4000 A 64 TYR HA H 1 4.61 0.0300 A 64 TYR HBx H 1 3.11 0.0300 A 64 TYR HBy H 1 3.11 0.0300 A 64 TYR HD1 H 1 6.75 0.0300 A 64 TYR HD2 H 1 6.75 0.0300 A 64 TYR HE1 H 1 6.50 0.0300 A 64 TYR HE2 H 1 6.50 0.0300 A 64 TYR C C 13 174.14 0.4000 A 64 TYR CA C 13 59.03 0.4000 A 64 TYR CB C 13 38.35 0.4000 A 64 TYR CD1 C 13 130.20 0.4000 A 64 TYR CD2 C 13 130.20 0.4000 A 64 TYR CE1 C 13 114.90 0.4000 A 64 TYR CE2 C 13 114.90 0.4000 A 65 ASN H H 1 9.41 0.0300 A 65 ASN HA H 1 5.01 0.0300 A 65 ASN HBy H 1 3.02 0.0300 A 65 ASN HBx H 1 2.66 0.0300 A 65 ASN HD2y H 1 8.08 0.0300 A 65 ASN HD2x H 1 7.08 0.0300 A 65 ASN C C 13 170.80 0.4000 A 65 ASN CA C 13 51.73 0.4000 A 65 ASN CB C 13 35.88 0.4000 A 65 ASN N N 15 124.59 0.4000 A 65 ASN ND2 N 15 113.90 0.4000 A 66 THR H H 1 8.04 0.0300 A 66 THR HA H 1 4.96 0.0300 A 66 THR HB H 1 3.91 0.0300 A 66 THR HG2% H 1 0.93 0.0300 A 66 THR C C 13 169.06 0.4000 A 66 THR CA C 13 58.65 0.4000 A 66 THR CB C 13 72.83 0.4000 A 66 THR CG2 C 13 21.88 0.4000 A 66 THR N N 15 110.13 0.4000 A 67 ALA H H 1 8.56 0.0300 A 67 ALA HA H 1 4.69 0.0300 A 67 ALA HB% H 1 1.41 0.0300 A 67 ALA C C 13 173.64 0.4000 A 67 ALA CA C 13 51.07 0.4000 A 67 ALA CB C 13 22.56 0.4000 A 67 ALA N N 15 120.40 0.4000 A 68 GLN H H 1 8.91 0.0300 A 68 GLN HA H 1 4.38 0.0300 A 68 GLN HBy H 1 2.12 0.0300 A 68 GLN HBx H 1 1.96 0.0300 A 68 GLN HE2x H 1 6.82 0.0300 A 68 GLN HE2y H 1 7.60 0.0300 A 68 GLN HGy H 1 2.44 0.0300 A 68 GLN HGx H 1 2.34 0.0300 A 68 GLN C C 13 173.32 0.4000 A 68 GLN CA C 13 57.61 0.4000 A 68 GLN CB C 13 29.25 0.4000 A 68 GLN CG C 13 34.84 0.4000 A 68 GLN N N 15 120.57 0.4000 A 68 GLN NE2 N 15 110.70 0.4000 A 69 ALA H H 1 8.92 0.0300 A 69 ALA HA H 1 4.37 0.0300 A 69 ALA HB% H 1 1.21 0.0300 A 69 ALA C C 13 174.63 0.4000 A 69 ALA CA C 13 52.08 0.4000 A 69 ALA CB C 13 19.75 0.4000 A 69 ALA N N 15 128.72 0.4000 A 70 GLY H H 1 8.33 0.0300 A 70 GLY HAx H 1 4.00 0.0300 A 70 GLY HAy H 1 4.00 0.0300 A 70 GLY C C 13 171.58 0.4000 A 70 GLY CA C 13 45.20 0.4000 A 70 GLY N N 15 108.44 0.4000 A 71 GLY H H 1 8.33 0.0300 A 71 GLY HAx H 1 3.94 0.0300 A 71 GLY HAy H 1 3.94 0.0300 A 71 GLY C C 13 171.15 0.4000 A 71 GLY CA C 13 45.17 0.4000 A 71 GLY N N 15 108.43 0.4000 A 72 ARG H H 1 8.21 0.0300 A 72 ARG HA H 1 4.34 0.0300 A 72 ARG HBy H 1 1.75 0.0300 A 72 ARG HBx H 1 1.70 0.0300 A 72 ARG HDx H 1 3.08 0.0300 A 72 ARG HDy H 1 3.08 0.0300 A 72 ARG HGx H 1 1.57 0.0300 A 72 ARG HGy H 1 1.57 0.0300 A 72 ARG C C 13 173.35 0.4000 A 72 ARG CA C 13 55.70 0.4000 A 72 ARG CB C 13 30.90 0.4000 A 72 ARG CD C 13 43.30 0.4000 A 72 ARG CG C 13 27.04 0.4000 A 72 ARG N N 15 120.59 0.4000 A 73 ARG H H 1 8.45 0.0300 A 73 ARG HA H 1 4.35 0.0300 A 73 ARG HBx H 1 1.74 0.0300 A 73 ARG HBy H 1 1.74 0.0300 A 73 ARG HDx H 1 3.13 0.0300 A 73 ARG HDy H 1 3.13 0.0300 A 73 ARG HGx H 1 1.57 0.0300 A 73 ARG HGy H 1 1.57 0.0300 A 73 ARG C C 13 173.20 0.4000 A 73 ARG CA C 13 55.56 0.4000 A 73 ARG CB C 13 30.69 0.4000 A 73 ARG CD C 13 43.30 0.4000 A 73 ARG CG C 13 27.41 0.4000 A 73 ARG N N 15 123.80 0.4000 A 74 ILE H H 1 8.36 0.0300 A 74 ILE HA H 1 4.16 0.0300 A 74 ILE HB H 1 1.81 0.0300 A 74 ILE HD1% H 1 0.80 0.0300 A 74 ILE HG1y H 1 1.41 0.0300 A 74 ILE HG1x H 1 1.12 0.0300 A 74 ILE HG2% H 1 0.85 0.0300 A 74 ILE C C 13 173.23 0.4000 A 74 ILE CA C 13 61.03 0.4000 A 74 ILE CB C 13 38.92 0.4000 A 74 ILE CD1 C 13 13.01 0.4000 A 74 ILE CG1 C 13 27.25 0.4000 A 74 ILE CG2 C 13 17.58 0.4000 A 74 ILE N N 15 123.33 0.4000 A 75 SER H H 1 8.34 0.0300 A 75 SER HA H 1 4.45 0.0300 A 75 SER HBx H 1 3.79 0.0300 A 75 SER HBy H 1 3.79 0.0300 A 75 SER C C 13 171.62 0.4000 A 75 SER CA C 13 57.89 0.4000 A 75 SER CB C 13 64.00 0.4000 A 75 SER N N 15 119.95 0.4000 A 76 LEU H H 1 8.40 0.0300 A 76 LEU HA H 1 4.30 0.0300 A 76 LEU HBx H 1 1.58 0.0300 A 76 LEU HBy H 1 1.58 0.0300 A 76 LEU HDx% H 1 0.88 0.0300 A 76 LEU HDy% H 1 0.79 0.0300 A 76 LEU C C 13 173.73 0.4000 A 76 LEU CA C 13 55.51 0.4000 A 76 LEU CB C 13 42.29 0.4000 A 76 LEU CD1 C 13 24.97 0.4000 A 76 LEU CD2 C 13 23.76 0.4000 A 76 LEU N N 15 124.86 0.4000 A 77 ASP H H 1 8.24 0.0300 A 77 ASP HA H 1 4.53 0.0300 A 77 ASP HBy H 1 2.65 0.0300 A 77 ASP HBx H 1 2.57 0.0300 A 77 ASP C C 13 173.19 0.4000 A 77 ASP CA C 13 54.54 0.4000 A 77 ASP CB C 13 41.25 0.4000 A 77 ASP N N 15 119.92 0.4000 A 78 GLN H H 1 8.12 0.0300 A 78 GLN HA H 1 4.31 0.0300 A 78 GLN HBx H 1 1.95 0.0300 A 78 GLN HBy H 1 1.95 0.0300 A 78 GLN HE2x H 1 6.81 0.0300 A 78 GLN HE2y H 1 7.58 0.0300 A 78 GLN HGx H 1 2.30 0.0300 A 78 GLN HGy H 1 2.30 0.0300 A 78 GLN C C 13 171.81 0.4000 A 78 GLN CA C 13 55.45 0.4000 A 78 GLN CB C 13 29.92 0.4000 A 78 GLN CG C 13 33.86 0.4000 A 78 GLN N N 15 120.08 0.4000 A 78 GLN NE2 N 15 112.20 0.4000 A 79 GLN H H 1 7.94 0.0300 A 79 GLN HA H 1 4.02 0.0300 A 79 GLN HBx H 1 1.97 0.0300 A 79 GLN HBy H 1 1.97 0.0300 A 79 GLN HGy H 1 2.27 0.0300 A 79 GLN HGx H 1 2.13 0.0300 A 79 GLN CA C 13 58.60 0.4000 A 79 GLN CB C 13 30.03 0.4000 A 79 GLN CG C 13 36.42 0.4000 A 79 GLN N N 15 115.07 0.4000 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 47 SER H A 47 SER HBx 1.0 1.8 5.0 2 2 A 47 SER H A 47 SER HBy 1.0 1.8 5.0 3 3 A 47 SER H A 38 ILE HG2% 1.0 1.8 6.0 4 4 A 47 SER H A 38 ILE HD1% 1.0 1.8 5.0 5 5 A 38 ILE HA A 69 ALA H 1.0 1.8 3.5 6 6 A 69 ALA H A 69 ALA HB% 1.0 1.8 3.5 7 7 A 69 ALA H A 37 ASP HBx 1.0 1.8 5.0 8 7 A 69 ALA H A 37 ASP HBy 1.0 1.8 5.0 9 8 A 69 ALA H A 38 ILE HB 1.0 1.8 6.0 10 9 A 69 ALA H A 39 LEU HBy 1.0 1.8 6.0 11 10 A 38 ILE HG2% A 69 ALA H 1.0 1.8 5.0 12 11 A 59 LYS H A 59 LYS HBy 1.0 1.8 5.0 13 12 A 38 ILE HD1% A 59 LYS H 1.0 1.8 5.0 14 13 A 59 LYS H A 49 VAL HGx% 1.0 1.8 5.0 15 14 A 59 LYS H A 66 THR HG2% 1.0 1.8 6.0 16 15 A 40 CYS H A 46 ARG HA 1.0 1.8 5.0 17 16 A 40 CYS H A 40 CYS HBy 1.0 1.8 3.5 18 17 A 40 CYS H A 40 CYS HBx 1.0 1.8 3.5 19 18 A 66 THR HG2% A 40 CYS H 1.0 1.8 5.0 20 19 A 40 CYS H A 46 ARG HBy 1.0 1.8 6.0 21 20 A 40 CYS H A 41 ASN H 1.0 1.8 5.0 22 21 A 41 ASN H A 41 ASN HD2y 1.0 1.8 5.0 23 22 A 41 ASN H A 66 THR HA 1.0 1.8 3.5 24 23 A 41 ASN H A 41 ASN HBy 1.0 1.8 3.5 25 24 A 41 ASN H A 41 ASN HBx 1.0 1.8 5.0 26 25 A 66 THR HG2% A 41 ASN H 1.0 1.8 5.0 27 26 A 51 PHE H A 51 PHE HD1 1.0 1.8 6.0 28 27 A 51 PHE H A 51 PHE HD2 1.0 1.8 6.0 29 28 A 51 PHE H A 35 THR HA 1.0 1.8 5.0 30 29 A 51 PHE H A 51 PHE HBy 1.0 1.8 3.5 31 30 A 51 PHE H A 51 PHE HBx 1.0 1.8 3.5 32 31 A 51 PHE H A 36 VAL HGx% 1.0 1.8 5.0 33 32 A 51 PHE HD2 A 52 HIS H 1.0 1.8 5.0 34 33 A 52 HIS H A 55 GLY H 1.0 1.8 5.0 35 34 A 52 HIS H A 56 MET HGy 1.0 1.8 5.0 36 35 A 52 HIS H A 56 MET HGx 1.0 1.8 5.0 37 36 A 45 GLY H A 46 ARG H 1.0 1.8 5.0 38 37 A 47 SER H A 46 ARG H 1.0 1.8 5.0 39 38 A 46 ARG H A 46 ARG HBx 1.0 1.8 3.5 40 39 A 46 ARG H A 60 ILE HD1% 1.0 1.8 3.5 41 40 A 57 LYS H A 57 LYS HBy 1.0 1.8 5.0 42 41 A 57 LYS H A 49 VAL HGy% 1.0 1.8 5.0 43 42 A 57 LYS H A 57 LYS HBx 1.0 1.8 5.0 44 43 A 38 ILE HD1% A 57 LYS H 1.0 1.8 5.0 45 44 A 65 ASN H A 65 ASN HBy 1.0 1.8 5.0 46 45 A 65 ASN H A 65 ASN HBx 1.0 1.8 5.0 47 46 A 66 THR HG2% A 65 ASN H 1.0 1.8 5.0 48 47 A 36 VAL H A 37 ASP H 1.0 1.8 5.0 49 48 A 37 ASP H A 38 ILE H 1.0 1.8 5.0 50 49 A 37 ASP H A 37 ASP HBx 1.0 1.8 3.5 51 49 A 37 ASP HBy A 37 ASP H 1.0 1.8 3.5 52 50 A 38 ILE HG2% A 37 ASP H 1.0 1.8 5.0 53 51 A 41 ASN H A 42 ASP H 1.0 1.8 3.5 54 52 A 42 ASP H A 40 CYS HA 1.0 1.8 5.0 55 53 A 40 CYS HBx A 42 ASP H 1.0 1.8 3.5 56 54 A 42 ASP H A 42 ASP HBx 1.0 1.8 5.0 57 55 A 18 LEU H A 18 LEU HBx 1.0 1.8 3.5 58 55 A 18 LEU H A 18 LEU HBy 1.0 1.8 3.5 59 56 A 18 LEU H A 18 LEU HG 1.0 1.8 5.0 60 57 A 59 LYS H A 60 ILE H 1.0 1.8 3.5 61 58 A 60 ILE H A 62 GLU H 1.0 1.8 5.0 62 59 A 60 ILE H A 58 CYS HA 1.0 1.8 5.0 63 60 A 60 ILE H A 61 CYS HBx 1.0 1.8 5.0 64 61 A 60 ILE H A 60 ILE HB 1.0 1.8 3.5 65 62 A 60 ILE H A 60 ILE HG1x 1.0 1.8 3.5 66 63 A 42 ASP H A 43 CYS H 1.0 1.8 3.5 67 64 A 43 CYS H A 44 ASN H 1.0 1.8 5.0 68 65 A 43 CYS H A 44 ASN HA 1.0 1.8 5.0 69 66 A 43 CYS H A 43 CYS HBx 1.0 1.8 5.0 70 67 A 43 CYS H A 43 CYS HBy 1.0 1.8 5.0 71 68 A 39 LEU H A 68 GLN HA 1.0 1.8 5.0 72 69 A 39 LEU H A 69 ALA HA 1.0 1.8 5.0 73 70 A 46 ARG HA A 39 LEU H 1.0 1.8 6.0 74 71 A 39 LEU H A 39 LEU HBx 1.0 1.8 3.5 75 72 A 69 ALA HB% A 39 LEU H 1.0 1.8 5.0 76 73 A 27 MET H A 27 MET HBx 1.0 1.8 5.0 77 73 A 27 MET H A 27 MET HBy 1.0 1.8 5.0 78 74 A 14 TYR H A 14 TYR HBx 1.0 1.8 5.0 79 74 A 14 TYR H A 14 TYR HBy 1.0 1.8 5.0 80 75 A 57 LYS H A 56 MET H 1.0 1.8 5.0 81 76 A 56 MET H A 56 MET HGy 1.0 1.8 5.0 82 77 A 56 MET H A 56 MET HGx 1.0 1.8 5.0 83 78 A 56 MET H A 56 MET HE% 1.0 1.8 5.0 84 79 A 56 MET H A 56 MET HBy 1.0 1.8 5.0 85 80 A 56 MET H A 56 MET HBx 1.0 1.8 5.0 86 81 A 60 ILE H A 61 CYS H 1.0 1.8 3.5 87 82 A 59 LYS H A 61 CYS H 1.0 1.8 5.0 88 83 A 62 GLU H A 61 CYS H 1.0 1.8 3.5 89 84 A 61 CYS HBx A 61 CYS H 1.0 1.8 5.0 90 85 A 68 GLN H A 68 GLN HBy 1.0 1.8 5.0 91 86 A 39 LEU H A 67 ALA H 1.0 1.8 3.5 92 87 A 38 ILE HA A 67 ALA H 1.0 1.8 5.0 93 88 A 40 CYS HA A 67 ALA H 1.0 1.8 5.0 94 89 A 38 ILE HB A 67 ALA H 1.0 1.8 5.0 95 90 A 67 ALA H A 67 ALA HB% 1.0 1.8 3.5 96 91 A 48 THR H A 48 THR HG2% 1.0 1.8 5.0 97 92 A 49 VAL HGx% A 48 THR H 1.0 1.8 5.0 98 93 A 38 ILE HG2% A 67 ALA H 1.0 1.8 5.0 99 94 A 38 ILE HD1% A 67 ALA H 1.0 1.8 5.0 100 95 A 8 ALA HB% A 9 LEU H 1.0 1.8 5.0 101 96 A 51 PHE H A 50 GLN H 1.0 1.8 5.0 102 97 A 50 GLN H A 50 GLN HBx 1.0 1.8 3.5 103 97 A 50 GLN H A 50 GLN HBy 1.0 1.8 3.5 104 98 A 36 VAL H A 49 VAL H 1.0 1.8 5.0 105 99 A 49 VAL H A 37 ASP HA 1.0 1.8 5.0 106 100 A 49 VAL HGx% A 49 VAL H 1.0 1.8 5.0 107 101 A 49 VAL HGy% A 49 VAL H 1.0 1.8 3.5 108 102 A 36 VAL H A 35 THR H 1.0 1.8 5.0 109 103 A 36 VAL H A 50 GLN HA 1.0 1.8 5.0 110 104 A 36 VAL H A 36 VAL HGy% 1.0 1.8 3.5 111 105 A 38 ILE HG2% A 36 VAL H 1.0 1.8 6.0 112 106 A 49 VAL HGy% A 36 VAL H 1.0 1.8 6.0 113 107 A 44 ASN H A 44 ASN HBy 1.0 1.8 5.0 114 108 A 44 ASN H A 44 ASN HBx 1.0 1.8 5.0 115 109 A 35 THR H A 35 THR HB 1.0 1.8 5.0 116 110 A 35 THR H A 35 THR HG2% 1.0 1.8 5.0 117 111 A 38 ILE H A 48 THR HA 1.0 1.8 5.0 118 112 A 38 ILE H A 38 ILE HG1x 1.0 1.8 5.0 119 112 A 38 ILE H A 38 ILE HG1y 1.0 1.8 5.0 120 113 A 38 ILE H A 48 THR HG2% 1.0 1.8 5.0 121 114 A 38 ILE HG2% A 38 ILE H 1.0 1.8 5.0 122 115 A 38 ILE HD1% A 38 ILE H 1.0 1.8 5.0 123 116 A 47 SER H A 38 ILE H 1.0 1.8 5.0 124 117 A 58 CYS H A 63 SER H 1.0 1.8 5.0 125 118 A 63 SER H A 58 CYS HBy 1.0 1.8 5.0 126 119 A 63 SER H A 58 CYS HBx 1.0 1.8 5.0 127 120 A 62 GLU H A 63 SER H 1.0 1.8 5.0 128 121 A 62 GLU H A 58 CYS HBy 1.0 1.8 5.0 129 122 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.0 130 123 A 40 CYS H A 45 GLY H 1.0 1.8 5.0 131 124 A 45 GLY H A 44 ASN H 1.0 1.8 5.0 132 125 A 45 GLY H A 43 CYS HA 1.0 1.8 6.0 133 126 A 40 CYS HBy A 45 GLY H 1.0 1.8 3.5 134 127 A 40 CYS HBx A 45 GLY H 1.0 1.8 5.0 135 128 A 45 GLY H A 60 ILE HD1% 1.0 1.8 5.0 136 129 A 65 ASN H A 66 THR H 1.0 1.8 5.0 137 130 A 66 THR H A 64 TYR HA 1.0 1.8 5.0 138 131 A 41 ASN HBy A 66 THR H 1.0 1.8 6.0 139 132 A 66 THR HG2% A 66 THR H 1.0 1.8 3.5 140 133 A 40 CYS HA A 66 THR H 1.0 1.8 6.0 141 134 A 5 MET H A 4 MET HGx 1.0 1.8 5.0 142 134 A 4 MET HGy A 5 MET H 1.0 1.8 5.0 143 135 A 5 MET H A 5 MET HGx 1.0 1.8 5.0 144 135 A 5 MET H A 5 MET HGy 1.0 1.8 5.0 145 136 A 18 LEU H A 19 ASP H 1.0 1.8 5.0 146 137 A 19 ASP H A 20 ASP H 1.0 1.8 5.0 147 138 A 77 ASP H A 77 ASP HBy 1.0 1.8 5.0 148 139 A 77 ASP H A 77 ASP HBx 1.0 1.8 5.0 149 140 A 77 ASP H A 78 GLN HBx 1.0 1.8 5.0 150 140 A 77 ASP H A 78 GLN HBy 1.0 1.8 5.0 151 141 A 20 ASP H A 18 LEU HA 1.0 1.8 5.0 152 142 A 20 ASP H A 21 GLU HA 1.0 1.8 5.0 153 143 A 32 GLN H A 32 GLN HGx 1.0 1.8 5.0 154 143 A 32 GLN H A 32 GLN HGy 1.0 1.8 5.0 155 144 A 32 GLN H A 32 GLN HBx 1.0 1.8 5.0 156 144 A 32 GLN H A 32 GLN HBy 1.0 1.8 5.0 157 145 A 32 GLN H A 31 TYR H 1.0 1.8 5.0 158 146 A 31 TYR H A 31 TYR HD1 1.0 1.8 5.0 159 147 A 31 TYR H A 31 TYR HBy 1.0 1.8 5.0 160 148 A 31 TYR H A 31 TYR HBx 1.0 1.8 5.0 161 149 A 31 TYR H A 32 GLN HGx 1.0 1.8 5.0 162 149 A 32 GLN HGy A 31 TYR H 1.0 1.8 5.0 163 150 A 57 LYS H A 58 CYS H 1.0 1.8 5.0 164 151 A 58 CYS H A 64 TYR HA 1.0 1.8 5.0 165 152 A 58 CYS H A 62 GLU HA 1.0 1.8 5.0 166 153 A 58 CYS H A 63 SER HBx 1.0 1.8 6.0 167 153 A 58 CYS H A 63 SER HBy 1.0 1.8 6.0 168 154 A 58 CYS H A 58 CYS HBy 1.0 1.8 5.0 169 155 A 58 CYS H A 58 CYS HBx 1.0 1.8 5.0 170 156 A 66 THR HG2% A 58 CYS H 1.0 1.8 5.0 171 157 A 16 ARG H A 16 ARG HBx 1.0 1.8 5.0 172 157 A 16 ARG H A 16 ARG HBy 1.0 1.8 5.0 173 158 A 16 ARG H A 16 ARG HGx 1.0 1.8 5.0 174 158 A 16 ARG H A 16 ARG HGy 1.0 1.8 5.0 175 159 A 9 LEU H A 9 LEU HBx 1.0 1.8 5.0 176 159 A 9 LEU H A 9 LEU HBy 1.0 1.8 5.0 177 160 A 69 ALA H A 68 GLN HA 1.0 1.8 3.5 178 161 A 69 ALA H A 68 GLN HBx 1.0 1.8 5.0 179 162 A 69 ALA H A 68 GLN HBy 1.0 1.8 5.0 180 163 A 69 ALA H A 68 GLN HGx 1.0 1.8 5.0 181 164 A 69 ALA H A 68 GLN HGy 1.0 1.8 5.0 182 165 A 59 LYS H A 58 CYS HA 1.0 1.8 3.5 183 166 A 40 CYS H A 39 LEU HA 1.0 1.8 3.5 184 167 A 39 LEU HBy A 40 CYS H 1.0 1.8 5.0 185 168 A 23 ALA H A 21 GLU HBy 1.0 1.8 6.0 186 169 A 23 ALA H A 22 VAL HB 1.0 1.8 6.0 187 170 A 41 ASN H A 40 CYS HA 1.0 1.8 3.5 188 171 A 40 CYS HBx A 41 ASN H 1.0 1.8 5.0 189 172 A 40 CYS HBy A 41 ASN H 1.0 1.8 6.0 190 173 A 52 HIS H A 51 PHE HA 1.0 1.8 3.5 191 174 A 51 PHE HBy A 52 HIS H 1.0 1.8 5.0 192 175 A 51 PHE H A 50 GLN HA 1.0 1.8 3.5 193 176 A 51 PHE H A 50 GLN HBx 1.0 1.8 5.0 194 176 A 51 PHE H A 50 GLN HBy 1.0 1.8 5.0 195 177 A 51 PHE H A 50 GLN HGx 1.0 1.8 5.0 196 177 A 51 PHE H A 50 GLN HGy 1.0 1.8 5.0 197 178 A 46 ARG H A 45 GLY HAx 1.0 1.8 3.5 198 179 A 46 ARG H A 45 GLY HAy 1.0 1.8 3.5 199 180 A 57 LYS H A 56 MET HA 1.0 1.8 3.5 200 181 A 57 LYS H A 56 MET HBx 1.0 1.8 5.0 201 182 A 57 LYS H A 56 MET HBy 1.0 1.8 5.0 202 183 A 57 LYS H A 56 MET HGx 1.0 1.8 5.0 203 184 A 57 LYS H A 56 MET HGy 1.0 1.8 5.0 204 185 A 65 ASN H A 64 TYR HBx 1.0 1.8 5.0 205 185 A 65 ASN H A 64 TYR HBy 1.0 1.8 5.0 206 186 A 74 ILE H A 73 ARG HBx 1.0 1.8 5.0 207 186 A 73 ARG HBy A 74 ILE H 1.0 1.8 5.0 208 187 A 37 ASP H A 36 VAL HA 1.0 1.8 3.5 209 188 A 37 ASP H A 36 VAL HB 1.0 1.8 3.5 210 189 A 74 ILE H A 74 ILE HG2% 1.0 1.8 5.0 211 190 A 41 ASN HBx A 42 ASP H 1.0 1.8 5.0 212 191 A 41 ASN HBy A 42 ASP H 1.0 1.8 5.0 213 192 A 42 ASP H A 42 ASP HBy 1.0 1.8 5.0 214 193 A 18 LEU H A 17 GLN HBx 1.0 1.8 5.0 215 193 A 18 LEU H A 17 GLN HBy 1.0 1.8 5.0 216 194 A 18 LEU H A 17 GLN HGx 1.0 1.8 6.0 217 194 A 18 LEU H A 17 GLN HGy 1.0 1.8 6.0 218 195 A 60 ILE H A 59 LYS HBx 1.0 1.8 5.0 219 196 A 60 ILE H A 59 LYS HBy 1.0 1.8 5.0 220 197 A 40 CYS HBx A 43 CYS H 1.0 1.8 5.0 221 198 A 38 ILE HA A 39 LEU H 1.0 1.8 3.5 222 199 A 38 ILE HB A 39 LEU H 1.0 1.8 3.5 223 200 A 39 LEU HBy A 39 LEU H 1.0 1.8 5.0 224 201 A 39 LEU H A 38 ILE HG1x 1.0 1.8 5.0 225 201 A 39 LEU H A 38 ILE HG1y 1.0 1.8 5.0 226 202 A 39 LEU H A 67 ALA HB% 1.0 1.8 6.0 227 203 A 38 ILE HD1% A 39 LEU H 1.0 1.8 5.0 228 204 A 27 MET H A 26 PRO HGx 1.0 1.8 5.0 229 204 A 27 MET H A 26 PRO HGy 1.0 1.8 5.0 230 205 A 12 THR HB A 13 ARG H 1.0 1.8 6.0 231 206 A 14 TYR H A 13 ARG HBx 1.0 1.8 5.0 232 206 A 14 TYR H A 13 ARG HBy 1.0 1.8 5.0 233 207 A 56 MET H A 55 GLY HAy 1.0 1.8 3.5 234 208 A 56 MET H A 55 GLY HAx 1.0 1.8 5.0 235 209 A 60 ILE HB A 61 CYS H 1.0 1.8 3.5 236 210 A 68 GLN H A 68 GLN HBx 1.0 1.8 5.0 237 211 A 61 CYS H A 60 ILE HG1y 1.0 1.8 6.0 238 212 A 60 ILE HG1x A 61 CYS H 1.0 1.8 5.0 239 213 A 61 CYS H A 60 ILE HG2% 1.0 1.8 5.0 240 214 A 48 THR H A 47 SER HA 1.0 1.8 3.5 241 215 A 48 THR H A 47 SER HBx 1.0 1.8 5.0 242 216 A 48 THR H A 48 THR HB 1.0 1.8 3.5 243 217 A 66 THR HA A 67 ALA H 1.0 1.8 3.5 244 218 A 67 ALA H A 66 THR HB 1.0 1.8 3.5 245 219 A 66 THR HG2% A 67 ALA H 1.0 1.8 5.0 246 220 A 50 GLN H A 49 VAL HA 1.0 1.8 3.5 247 221 A 50 GLN H A 49 VAL HB 1.0 1.8 3.5 248 222 A 49 VAL HGx% A 50 GLN H 1.0 1.8 5.0 249 223 A 49 VAL HGy% A 50 GLN H 1.0 1.8 5.0 250 224 A 49 VAL H A 48 THR HA 1.0 1.8 3.5 251 225 A 49 VAL H A 48 THR HB 1.0 1.8 5.0 252 226 A 48 THR HG2% A 49 VAL H 1.0 1.8 3.5 253 227 A 35 THR HA A 36 VAL H 1.0 1.8 3.5 254 228 A 36 VAL H A 35 THR HB 1.0 1.8 3.5 255 229 A 36 VAL H A 35 THR HG2% 1.0 1.8 5.0 256 230 A 44 ASN H A 43 CYS HBy 1.0 1.8 5.0 257 231 A 44 ASN H A 43 CYS HBx 1.0 1.8 5.0 258 232 A 35 THR H A 34 MET HA 1.0 1.8 3.5 259 233 A 35 THR H A 34 MET HBx 1.0 1.8 5.0 260 234 A 35 THR H A 34 MET HBy 1.0 1.8 5.0 261 235 A 35 THR H A 34 MET HGx 1.0 1.8 5.0 262 236 A 35 THR H A 34 MET HGy 1.0 1.8 5.0 263 237 A 38 ILE H A 37 ASP HA 1.0 1.8 3.5 264 238 A 38 ILE H A 37 ASP HBx 1.0 1.8 5.0 265 238 A 37 ASP HBy A 38 ILE H 1.0 1.8 5.0 266 239 A 47 SER H A 46 ARG HA 1.0 1.8 3.5 267 240 A 47 SER H A 46 ARG HBy 1.0 1.8 5.0 268 241 A 47 SER H A 46 ARG HBx 1.0 1.8 5.0 269 242 A 47 SER H A 38 ILE HG1x 1.0 1.8 3.5 270 242 A 47 SER H A 38 ILE HG1y 1.0 1.8 3.5 271 243 A 47 SER H A 46 ARG HDx 1.0 1.8 6.0 272 243 A 47 SER H A 46 ARG HDy 1.0 1.8 6.0 273 244 A 63 SER H A 62 GLU HA 1.0 1.8 5.0 274 245 A 63 SER H A 63 SER HBx 1.0 1.8 5.0 275 245 A 63 SER H A 63 SER HBy 1.0 1.8 5.0 276 246 A 62 GLU H A 61 CYS HBy 1.0 1.8 5.0 277 247 A 62 GLU H A 61 CYS HBx 1.0 1.8 5.0 278 248 A 45 GLY H A 44 ASN HBx 1.0 1.8 5.0 279 249 A 45 GLY H A 44 ASN HBy 1.0 1.8 5.0 280 250 A 66 THR H A 65 ASN HA 1.0 1.8 3.5 281 251 A 66 THR H A 65 ASN HBx 1.0 1.8 5.0 282 252 A 66 THR H A 65 ASN HBy 1.0 1.8 5.0 283 253 A 55 GLY H A 54 LEU HBx 1.0 1.8 5.0 284 254 A 55 GLY H A 54 LEU HBy 1.0 1.8 5.0 285 255 A 5 MET H A 4 MET HA 1.0 1.8 2.7 286 256 A 5 MET H A 4 MET HBx 1.0 1.8 5.0 287 257 A 5 MET H A 4 MET HBy 1.0 1.8 5.0 288 258 A 23 ALA HB% A 24 GLN H 1.0 1.8 5.0 289 259 A 19 ASP H A 18 LEU HBx 1.0 1.8 5.0 290 259 A 18 LEU HBy A 19 ASP H 1.0 1.8 5.0 291 260 A 77 ASP H A 76 LEU HBx 1.0 1.8 5.0 292 260 A 77 ASP H A 76 LEU HBy 1.0 1.8 5.0 293 261 A 77 ASP H A 76 LEU HDx% 1.0 1.8 5.0 294 262 A 31 TYR H A 30 GLU HBx 1.0 1.8 5.0 295 262 A 31 TYR H A 30 GLU HBy 1.0 1.8 5.0 296 263 A 68 GLN H A 67 ALA HA 1.0 1.8 3.5 297 264 A 68 GLN H A 67 ALA HB% 1.0 1.8 5.0 298 265 A 58 CYS H A 57 LYS HA 1.0 1.8 3.5 299 266 A 58 CYS H A 57 LYS HGx 1.0 1.8 5.0 300 267 A 58 CYS H A 57 LYS HGy 1.0 1.8 5.0 301 268 A 22 VAL H A 21 GLU HBx 1.0 1.8 5.0 302 269 A 22 VAL H A 21 GLU HBy 1.0 1.8 5.0 303 270 A 41 ASN HBx A 41 ASN HD2x 1.0 1.8 5.0 304 271 A 41 ASN HD2y A 41 ASN HBx 1.0 1.8 5.0 305 272 A 67 ALA HB% A 41 ASN HD2x 1.0 1.8 5.0 306 273 A 41 ASN HD2y A 67 ALA HB% 1.0 1.8 5.0 307 274 A 50 GLN HE2y A 50 GLN HGx 1.0 1.8 5.0 308 274 A 50 GLN HGy A 50 GLN HE2y 1.0 1.8 5.0 309 275 A 50 GLN HE2x A 50 GLN HGx 1.0 1.8 5.0 310 275 A 50 GLN HGy A 50 GLN HE2x 1.0 1.8 5.0 311 276 A 36 VAL HGx% A 68 GLN HE2x 1.0 1.8 6.0 312 277 A 36 VAL HGy% A 68 GLN HE2x 1.0 1.8 6.0 313 278 A 68 GLN HA A 68 GLN HE2x 1.0 1.8 5.0 314 279 A 23 ALA H A 22 VAL H 1.0 1.8 5.0 315 280 A 24 GLN H A 25 THR H 1.0 1.8 5.0 316 281 A 49 VAL H A 35 THR HG2% 1.0 1.8 5.0 317 282 A 51 PHE H A 35 THR HG2% 1.0 1.8 5.0 318 283 A 38 ILE HB A 38 ILE H 1.0 1.8 5.0 319 284 A 38 ILE H A 49 VAL H 1.0 1.8 5.0 320 285 A 38 ILE H A 39 LEU HA 1.0 1.8 6.0 321 286 A 38 ILE H A 47 SER HA 1.0 1.8 6.0 322 287 A 45 GLY H A 39 LEU HA 1.0 1.8 5.0 323 288 A 69 ALA H A 39 LEU H 1.0 1.8 5.0 324 289 A 40 CYS H A 39 LEU H 1.0 1.8 5.0 325 290 A 40 CYS H A 67 ALA H 1.0 1.8 5.0 326 291 A 41 ASN H A 41 ASN HD2x 1.0 1.8 5.0 327 292 A 44 ASN H A 44 ASN HD2x 1.0 1.8 5.0 328 293 A 44 ASN H A 44 ASN HD2y 1.0 1.8 5.0 329 294 A 47 SER H A 48 THR H 1.0 1.8 6.0 330 295 A 48 THR H A 49 VAL H 1.0 1.8 5.0 331 296 A 51 PHE H A 36 VAL H 1.0 1.8 5.0 332 297 A 55 GLY H A 56 MET H 1.0 1.8 5.0 333 298 A 55 GLY H A 56 MET HA 1.0 1.8 5.0 334 299 A 61 CYS H A 59 LYS HA 1.0 1.8 5.0 335 300 A 59 LYS H A 59 LYS HBx 1.0 1.8 5.0 336 301 A 59 LYS H A 58 CYS H 1.0 1.8 5.0 337 302 A 61 CYS H A 63 SER H 1.0 1.8 5.0 338 303 A 66 THR HG2% A 39 LEU H 1.0 1.8 6.0 339 304 A 39 LEU H A 67 ALA HA 1.0 1.8 5.0 340 305 A 41 ASN H A 67 ALA H 1.0 1.8 5.0 341 306 A 40 CYS H A 46 ARG H 1.0 1.8 5.0 342 307 A 37 ASP H A 48 THR HA 1.0 1.8 5.0 343 308 A 16 ARG HA A 16 ARG HGx 1.0 1.8 5.0 344 308 A 16 ARG HGy A 16 ARG HA 1.0 1.8 5.0 345 309 A 16 ARG HA A 14 TYR HBx 1.0 1.8 6.0 346 309 A 14 TYR HBy A 16 ARG HA 1.0 1.8 6.0 347 310 A 19 ASP H A 16 ARG HA 1.0 1.8 5.0 348 311 A 18 LEU H A 16 ARG HA 1.0 1.8 5.0 349 312 A 16 ARG HA A 16 ARG HDx 1.0 1.8 5.0 350 312 A 16 ARG HA A 16 ARG HDy 1.0 1.8 5.0 351 313 A 17 GLN HA A 16 ARG HBx 1.0 1.8 5.0 352 313 A 16 ARG HBy A 17 GLN HA 1.0 1.8 5.0 353 314 A 16 ARG HBx A 16 ARG HDx 1.0 1.8 5.0 354 314 A 16 ARG HBy A 16 ARG HDx 1.0 1.8 5.0 355 314 A 16 ARG HDy A 16 ARG HBx 1.0 1.8 5.0 356 314 A 16 ARG HBy A 16 ARG HDy 1.0 1.8 5.0 357 315 A 16 ARG HBy A 16 ARG HGx 1.0 1.8 3.5 358 315 A 16 ARG HBx A 16 ARG HGx 1.0 1.8 3.5 359 315 A 16 ARG HGy A 16 ARG HBx 1.0 1.8 3.5 360 315 A 16 ARG HBy A 16 ARG HGy 1.0 1.8 3.5 361 316 A 69 ALA HB% A 68 GLN HA 1.0 1.8 5.0 362 317 A 68 GLN HA A 36 VAL HGy% 1.0 1.8 5.0 363 318 A 38 ILE HB A 68 GLN HA 1.0 1.8 5.0 364 319 A 68 GLN HA A 67 ALA HB% 1.0 1.8 5.0 365 320 A 36 VAL HGy% A 68 GLN HGx 1.0 1.8 5.0 366 321 A 38 ILE HG2% A 68 GLN HGx 1.0 1.8 5.0 367 322 A 66 THR HG2% A 58 CYS HA 1.0 1.8 5.0 368 323 A 49 VAL HGy% A 58 CYS HA 1.0 1.8 6.0 369 324 A 62 GLU HA A 58 CYS HBx 1.0 1.8 6.0 370 325 A 62 GLU HA A 58 CYS HBy 1.0 1.8 6.0 371 326 A 62 GLU H A 58 CYS HBx 1.0 1.8 5.0 372 327 A 66 THR HG2% A 58 CYS HBy 1.0 1.8 5.0 373 328 A 66 THR HG2% A 39 LEU HA 1.0 1.8 5.0 374 329 A 69 ALA HA A 39 LEU HBx 1.0 1.8 5.0 375 330 A 39 LEU H A 39 LEU HG 1.0 1.8 6.0 376 331 A 46 ARG HDy A 39 LEU HDx% 1.0 1.8 5.0 377 331 A 39 LEU HDx% A 46 ARG HDx 1.0 1.8 5.0 378 332 A 46 ARG HBx A 39 LEU HDx% 1.0 1.8 5.0 379 333 A 46 ARG HBx A 39 LEU HDy% 1.0 1.8 5.0 380 334 A 23 ALA HB% A 22 VAL HA 1.0 1.8 6.0 381 335 A 22 VAL HB A 22 VAL H 1.0 1.8 5.0 382 336 A 66 THR HG2% A 40 CYS HBx 1.0 1.8 5.0 383 337 A 66 THR HG2% A 40 CYS HBy 1.0 1.8 5.0 384 338 A 40 CYS HBy A 44 ASN H 1.0 1.8 6.0 385 339 A 51 PHE HD2 A 51 PHE HA 1.0 1.8 5.0 386 340 A 51 PHE HBx A 50 GLN HBx 1.0 1.8 6.0 387 340 A 51 PHE HBx A 50 GLN HBy 1.0 1.8 6.0 388 341 A 51 PHE HBy A 36 VAL HB 1.0 1.8 6.0 389 342 A 51 PHE HBy A 50 GLN HBx 1.0 1.8 6.0 390 342 A 51 PHE HBy A 50 GLN HBy 1.0 1.8 6.0 391 343 A 51 PHE HBx A 36 VAL HGx% 1.0 1.8 5.0 392 344 A 51 PHE HBx A 36 VAL HGy% 1.0 1.8 5.0 393 345 A 35 THR HA A 50 GLN HA 1.0 1.8 3.5 394 346 A 50 GLN H A 50 GLN HGx 1.0 1.8 5.0 395 346 A 50 GLN H A 50 GLN HGy 1.0 1.8 5.0 396 347 A 35 THR HG2% A 50 GLN HGx 1.0 1.8 5.0 397 347 A 35 THR HG2% A 50 GLN HGy 1.0 1.8 5.0 398 348 A 44 ASN H A 45 GLY HAx 1.0 1.8 6.0 399 349 A 38 ILE HD1% A 56 MET HA 1.0 1.8 5.0 400 350 A 49 VAL HGx% A 56 MET HBx 1.0 1.8 6.0 401 351 A 66 THR HG2% A 56 MET HBx 1.0 1.8 6.0 402 352 A 36 VAL HGy% A 56 MET HGx 1.0 1.8 6.0 403 353 A 36 VAL HGy% A 56 MET HGy 1.0 1.8 6.0 404 354 A 72 ARG HBy A 72 ARG HDx 1.0 1.8 5.0 405 354 A 72 ARG HBy A 72 ARG HDy 1.0 1.8 5.0 406 355 A 72 ARG HBy A 72 ARG HGx 1.0 1.8 3.5 407 355 A 72 ARG HBy A 72 ARG HGy 1.0 1.8 3.5 408 356 A 72 ARG H A 72 ARG HGx 1.0 1.8 5.0 409 356 A 72 ARG HGy A 72 ARG H 1.0 1.8 5.0 410 357 A 74 ILE HA A 73 ARG HDx 1.0 1.8 5.0 411 357 A 73 ARG HDy A 74 ILE HA 1.0 1.8 5.0 412 358 A 46 ARG H A 46 ARG HDx 1.0 1.8 5.0 413 358 A 46 ARG H A 46 ARG HDy 1.0 1.8 5.0 414 359 A 39 LEU HG A 46 ARG HDx 1.0 1.8 5.0 415 359 A 46 ARG HDy A 39 LEU HG 1.0 1.8 5.0 416 360 A 46 ARG HDy A 39 LEU HDy% 1.0 1.8 5.0 417 360 A 39 LEU HDy% A 46 ARG HDx 1.0 1.8 5.0 418 361 A 74 ILE HG2% A 73 ARG HDx 1.0 1.8 6.0 419 361 A 74 ILE HG2% A 73 ARG HDy 1.0 1.8 6.0 420 362 A 36 VAL HB A 34 MET HE% 1.0 1.8 5.0 421 363 A 38 ILE HG2% A 36 VAL HB 1.0 1.8 5.0 422 364 A 36 VAL HGx% A 68 GLN HE2y 1.0 1.8 5.0 423 365 A 36 VAL HGx% A 36 VAL H 1.0 1.8 5.0 424 366 A 51 PHE HBy A 36 VAL HGx% 1.0 1.8 5.0 425 367 A 35 THR HA A 36 VAL HGy% 1.0 1.8 5.0 426 368 A 36 VAL HGy% A 51 PHE HA 1.0 1.8 5.0 427 369 A 51 PHE HD2 A 36 VAL HGy% 1.0 1.8 5.0 428 370 A 51 PHE H A 36 VAL HGy% 1.0 1.8 5.0 429 371 A 51 PHE HBy A 36 VAL HGy% 1.0 1.8 5.0 430 372 A 36 VAL HGy% A 68 GLN HGy 1.0 1.8 5.0 431 373 A 56 MET HE% A 36 VAL HGy% 1.0 1.8 3.5 432 374 A 39 LEU HBx A 41 ASN HA 1.0 1.8 6.0 433 375 A 49 VAL HGx% A 59 LYS HA 1.0 1.8 6.0 434 376 A 49 VAL HGx% A 59 LYS HBx 1.0 1.8 6.0 435 377 A 49 VAL HGx% A 59 LYS HBy 1.0 1.8 6.0 436 378 A 49 VAL HGx% A 59 LYS HGy 1.0 1.8 5.0 437 379 A 49 VAL HGx% A 59 LYS HGx 1.0 1.8 5.0 438 380 A 38 ILE HG1x A 47 SER HBx 1.0 1.8 6.0 439 380 A 38 ILE HG1y A 47 SER HBx 1.0 1.8 6.0 440 381 A 58 CYS HA A 38 ILE HG1x 1.0 1.8 6.0 441 381 A 58 CYS HA A 38 ILE HG1y 1.0 1.8 6.0 442 382 A 59 LYS HDy A 47 SER HBy 1.0 1.8 6.0 443 382 A 47 SER HBy A 59 LYS HDx 1.0 1.8 6.0 444 383 A 49 VAL HGx% A 59 LYS HEx 1.0 1.8 5.0 445 383 A 49 VAL HGx% A 59 LYS HEy 1.0 1.8 5.0 446 384 A 43 CYS HBx A 42 ASP HA 1.0 1.8 6.0 447 385 A 38 ILE HA A 68 GLN HA 1.0 1.8 3.5 448 386 A 38 ILE HA A 69 ALA HB% 1.0 1.8 5.0 449 387 A 38 ILE HA A 36 VAL HGy% 1.0 1.8 5.0 450 388 A 38 ILE HB A 66 THR HG2% 1.0 1.8 5.0 451 389 A 38 ILE HG2% A 68 GLN HA 1.0 1.8 3.5 452 390 A 38 ILE HG2% A 56 MET H 1.0 1.8 6.0 453 391 A 38 ILE HG2% A 66 THR HB 1.0 1.8 5.0 454 392 A 38 ILE HG2% A 56 MET HBy 1.0 1.8 3.5 455 393 A 38 ILE HG2% A 56 MET HBx 1.0 1.8 5.0 456 394 A 49 VAL HGy% A 56 MET HBx 1.0 1.8 5.0 457 395 A 38 ILE HG2% A 68 GLN HGy 1.0 1.8 5.0 458 396 A 38 ILE HD1% A 58 CYS HA 1.0 1.8 5.0 459 397 A 38 ILE HD1% A 56 MET HBy 1.0 1.8 5.0 460 398 A 38 ILE HD1% A 56 MET HBx 1.0 1.8 5.0 461 399 A 38 ILE HD1% A 66 THR HG2% 1.0 1.8 3.5 462 400 A 25 THR HA A 26 PRO HDx 1.0 1.8 5.0 463 401 A 25 THR HA A 26 PRO HDy 1.0 1.8 5.0 464 402 A 46 ARG HBx A 39 LEU HG 1.0 1.8 5.0 465 403 A 69 ALA HB% A 46 ARG HBx 1.0 1.8 6.0 466 404 A 12 THR H A 12 THR HG2% 1.0 1.8 5.0 467 405 A 55 GLY HAx A 64 TYR HD1 1.0 1.8 5.0 468 406 A 46 ARG HBy A 37 ASP HBx 1.0 1.8 5.0 469 406 A 37 ASP HBy A 46 ARG HBy 1.0 1.8 5.0 470 407 A 60 ILE HB A 61 CYS HBy 1.0 1.8 6.0 471 408 A 60 ILE H A 60 ILE HG1y 1.0 1.8 5.0 472 409 A 60 ILE H A 60 ILE HG2% 1.0 1.8 5.0 473 410 A 55 GLY H A 53 ILE HG2% 1.0 1.8 6.0 474 411 A 60 ILE HG2% A 61 CYS HA 1.0 1.8 5.0 475 412 A 53 ILE HG2% A 54 LEU HA 1.0 1.8 5.0 476 413 A 61 CYS HBx A 60 ILE HG2% 1.0 1.8 5.0 477 414 A 60 ILE HG2% A 61 CYS HBy 1.0 1.8 5.0 478 415 A 60 ILE HD1% A 45 GLY HAx 1.0 1.8 3.5 479 416 A 60 ILE HD1% A 45 GLY HAy 1.0 1.8 5.0 480 417 A 60 ILE HD1% A 60 ILE H 1.0 1.8 5.0 481 418 A 49 VAL HGx% A 47 SER HBx 1.0 1.8 5.0 482 419 A 59 LYS HDy A 47 SER HBx 1.0 1.8 6.0 483 419 A 47 SER HBx A 59 LYS HDx 1.0 1.8 6.0 484 420 A 38 ILE HG1y A 47 SER HBy 1.0 1.8 6.0 485 420 A 47 SER HBy A 38 ILE HG1x 1.0 1.8 6.0 486 421 A 38 ILE HD1% A 47 SER HBx 1.0 1.8 5.0 487 422 A 38 ILE HD1% A 47 SER HBy 1.0 1.8 5.0 488 423 A 41 ASN H A 66 THR HB 1.0 1.8 5.0 489 424 A 66 THR HA A 40 CYS HA 1.0 1.8 5.0 490 425 A 66 THR HA A 41 ASN HBy 1.0 1.8 5.0 491 426 A 38 ILE HB A 66 THR HB 1.0 1.8 5.0 492 427 A 38 ILE HD1% A 66 THR HB 1.0 1.8 5.0 493 428 A 66 THR HG2% A 64 TYR HA 1.0 1.8 5.0 494 429 A 66 THR HG2% A 40 CYS HA 1.0 1.8 5.0 495 430 A 66 THR HG2% A 58 CYS HBx 1.0 1.8 5.0 496 431 A 66 THR HG2% A 57 LYS HA 1.0 1.8 5.0 497 432 A 72 ARG HA A 71 GLY HAx 1.0 1.8 5.0 498 432 A 71 GLY HAy A 72 ARG HA 1.0 1.8 5.0 499 433 A 77 ASP HA A 76 LEU HBx 1.0 1.8 5.0 500 433 A 76 LEU HBy A 77 ASP HA 1.0 1.8 5.0 501 434 A 8 ALA HA A 9 LEU HBx 1.0 1.8 5.0 502 434 A 9 LEU HBy A 8 ALA HA 1.0 1.8 5.0 503 435 A 49 VAL HGx% A 47 SER HBy 1.0 1.8 5.0 504 436 A 49 VAL HGx% A 59 LYS HDx 1.0 1.8 5.0 505 436 A 49 VAL HGx% A 59 LYS HDy 1.0 1.8 5.0 506 437 A 49 VAL HGx% A 38 ILE HG1x 1.0 1.8 5.0 507 437 A 49 VAL HGx% A 38 ILE HG1y 1.0 1.8 5.0 508 438 A 38 ILE HD1% A 49 VAL HGx% 1.0 1.8 3.5 509 439 A 49 VAL HGy% A 56 MET HA 1.0 1.8 5.0 510 440 A 37 ASP HA A 48 THR HA 1.0 1.8 5.0 511 441 A 48 THR HA A 47 SER HA 1.0 1.8 5.0 512 442 A 48 THR HA A 49 VAL HA 1.0 1.8 6.0 513 443 A 49 VAL HGx% A 48 THR HA 1.0 1.8 5.0 514 444 A 38 ILE HG2% A 48 THR HA 1.0 1.8 6.0 515 445 A 49 VAL HGy% A 48 THR HA 1.0 1.8 6.0 516 446 A 48 THR HG2% A 37 ASP HA 1.0 1.8 5.0 517 447 A 35 THR HA A 48 THR HG2% 1.0 1.8 5.0 518 448 A 48 THR HG2% A 36 VAL HA 1.0 1.8 5.0 519 449 A 48 THR HG2% A 35 THR HB 1.0 1.8 3.5 520 450 A 36 VAL H A 48 THR HG2% 1.0 1.8 5.0 521 451 A 35 THR HA A 34 MET HA 1.0 1.8 5.0 522 452 A 35 THR HA A 50 GLN HBx 1.0 1.8 5.0 523 452 A 35 THR HA A 50 GLN HBy 1.0 1.8 5.0 524 453 A 35 THR HA A 36 VAL HGx% 1.0 1.8 5.0 525 454 A 50 GLN HA A 35 THR HB 1.0 1.8 5.0 526 455 A 35 THR HG2% A 50 GLN HBx 1.0 1.8 5.0 527 455 A 50 GLN HBy A 35 THR HG2% 1.0 1.8 5.0 528 456 A 50 GLN HA A 35 THR HG2% 1.0 1.8 5.0 529 457 A 50 GLN H A 35 THR HG2% 1.0 1.8 5.0 530 458 A 43 CYS HBy A 61 CYS HBy 1.0 1.8 5.0 531 459 A 36 VAL HGy% A 50 GLN HBx 1.0 1.8 6.0 532 459 A 50 GLN HBy A 36 VAL HGy% 1.0 1.8 6.0 533 460 A 49 VAL HGx% A 50 GLN HBx 1.0 1.8 6.0 534 460 A 49 VAL HGx% A 50 GLN HBy 1.0 1.8 6.0 535 461 A 48 THR H A 37 ASP HA 1.0 1.8 5.0 536 462 A 37 ASP HA A 36 VAL HGy% 1.0 1.8 5.0 537 463 A 38 ILE HG2% A 37 ASP HA 1.0 1.8 5.0 538 464 A 36 VAL HGy% A 37 ASP HBx 1.0 1.8 6.0 539 464 A 37 ASP HBy A 36 VAL HGy% 1.0 1.8 6.0 540 465 A 46 ARG HA A 39 LEU HA 1.0 1.8 5.0 541 466 A 46 ARG HA A 60 ILE HD1% 1.0 1.8 5.0 542 467 A 46 ARG HBy A 46 ARG H 1.0 1.8 5.0 543 468 A 46 ARG HBy A 39 LEU HDy% 1.0 1.8 5.0 544 469 A 46 ARG HBy A 39 LEU HDx% 1.0 1.8 5.0 545 470 A 46 ARG HBy A 39 LEU HG 1.0 1.8 6.0 546 471 A 69 ALA HB% A 46 ARG HBy 1.0 1.8 5.0 547 472 A 69 ALA HB% A 46 ARG HGx 1.0 1.8 6.0 548 473 A 69 ALA HB% A 46 ARG HGy 1.0 1.8 6.0 549 474 A 61 CYS H A 62 GLU HA 1.0 1.8 5.0 550 475 A 62 GLU HA A 57 LYS HGx 1.0 1.8 5.0 551 476 A 62 GLU HA A 57 LYS HGy 1.0 1.8 5.0 552 477 A 62 GLU H A 62 GLU HGx 1.0 1.8 5.0 553 478 A 61 CYS HBx A 43 CYS HBy 1.0 1.8 5.0 554 479 A 69 ALA HB% A 46 ARG HDx 1.0 1.8 5.0 555 479 A 69 ALA HB% A 46 ARG HDy 1.0 1.8 5.0 556 480 A 69 ALA HB% A 37 ASP HBx 1.0 1.8 3.5 557 480 A 69 ALA HB% A 37 ASP HBy 1.0 1.8 3.5 558 481 A 69 ALA HB% A 39 LEU HDx% 1.0 1.8 5.0 559 482 A 38 ILE HG2% A 69 ALA HB% 1.0 1.8 5.0 560 483 A 69 ALA HB% A 39 LEU HDy% 1.0 1.8 5.0 561 484 A 38 ILE HA A 69 ALA HA 1.0 1.8 5.0 562 485 A 69 ALA HA A 70 GLY HAx 1.0 1.8 5.0 563 485 A 69 ALA HA A 70 GLY HAy 1.0 1.8 5.0 564 486 A 39 LEU HBy A 69 ALA HA 1.0 1.8 5.0 565 487 A 69 ALA HB% A 70 GLY HAx 1.0 1.8 5.0 566 487 A 69 ALA HB% A 70 GLY HAy 1.0 1.8 5.0 567 488 A 54 LEU HA A 53 ILE HA 1.0 1.8 6.0 568 489 A 55 GLY HAy A 54 LEU HA 1.0 1.8 6.0 569 490 A 54 LEU HA A 54 LEU HDx% 1.0 1.8 5.0 570 491 A 78 GLN H A 78 GLN HGx 1.0 1.8 5.0 571 491 A 78 GLN H A 78 GLN HGy 1.0 1.8 5.0 572 492 A 78 GLN HGy A 76 LEU HDx% 1.0 1.8 6.0 573 492 A 76 LEU HDx% A 78 GLN HGx 1.0 1.8 6.0 574 493 A 18 LEU HA A 19 ASP HA 1.0 1.8 5.0 575 494 A 31 TYR HD1 A 31 TYR HA 1.0 1.8 6.0 576 495 A 31 TYR HA A 31 TYR HD2 1.0 1.8 6.0 577 496 A 72 ARG HA A 72 ARG HDx 1.0 1.8 5.0 578 496 A 72 ARG HDy A 72 ARG HA 1.0 1.8 5.0 579 497 A 14 TYR HA A 14 TYR HD1 1.0 1.8 5.0 580 498 A 14 TYR HA A 14 TYR HD2 1.0 1.8 6.0 581 499 A 14 TYR HBy A 16 ARG HBx 1.0 1.8 5.0 582 499 A 14 TYR HBx A 16 ARG HBx 1.0 1.8 5.0 583 499 A 16 ARG HBy A 14 TYR HBx 1.0 1.8 5.0 584 499 A 14 TYR HBy A 16 ARG HBy 1.0 1.8 5.0 585 500 A 14 TYR HE1 A 14 TYR HBx 1.0 1.8 6.0 586 500 A 14 TYR HBy A 14 TYR HE1 1.0 1.8 6.0 587 501 A 78 GLN HGy A 76 LEU HDy% 1.0 1.8 6.0 588 501 A 76 LEU HDy% A 78 GLN HGx 1.0 1.8 6.0 589 502 A 25 THR HA A 26 PRO HGx 1.0 1.8 5.0 590 502 A 26 PRO HGy A 25 THR HA 1.0 1.8 5.0 591 503 A 25 THR HG2% A 26 PRO HGx 1.0 1.8 5.0 592 503 A 26 PRO HGy A 25 THR HG2% 1.0 1.8 5.0 593 504 A 25 THR HG2% A 27 MET HE% 1.0 1.8 5.0 594 505 A 68 GLN HA A 67 ALA HA 1.0 1.8 5.0 595 506 A 40 CYS HA A 67 ALA HB% 1.0 1.8 6.0 596 507 A 69 ALA HA A 67 ALA HB% 1.0 1.8 6.0 597 508 A 6 HIS HA A 6 HIS HD2 1.0 1.8 5.0 598 509 A 51 PHE HD2 A 52 HIS HA 1.0 1.8 6.0 599 510 A 52 HIS HA A 52 HIS HD2 1.0 1.8 5.0 600 511 A 52 HIS HA A 53 ILE HD1% 1.0 1.8 5.0 601 512 A 64 TYR HA A 57 LYS HA 1.0 1.8 5.0 602 513 A 57 LYS H A 57 LYS HEx 1.0 1.8 5.0 603 513 A 57 LYS H A 57 LYS HEy 1.0 1.8 5.0 604 514 A 15 TRP HA A 15 TRP HE3 1.0 1.8 5.0 605 515 A 21 GLU HA A 23 ALA H 1.0 1.8 5.0 606 516 A 23 ALA H A 21 GLU HBx 1.0 1.8 6.0 607 517 A 18 LEU HA A 21 GLU HGx 1.0 1.8 5.0 608 518 A 55 GLY H A 53 ILE HA 1.0 1.8 5.0 609 519 A 55 GLY H A 53 ILE HB 1.0 1.8 6.0 610 520 A 52 HIS HA A 53 ILE HB 1.0 1.8 5.0 611 521 A 54 LEU HA A 53 ILE HB 1.0 1.8 5.0 612 522 A 27 MET HA A 28 PRO HDx 1.0 1.8 3.5 613 523 A 27 MET HA A 28 PRO HDy 1.0 1.8 3.5 614 524 A 78 GLN H A 78 GLN HBx 1.0 1.8 5.0 615 524 A 78 GLN HBy A 78 GLN H 1.0 1.8 5.0 616 525 A 54 LEU HA A 54 LEU HDy% 1.0 1.8 5.0 617 526 A 46 ARG H A 39 LEU HA 1.0 1.8 6.0 618 527 A 67 ALA H A 39 LEU HA 1.0 1.8 6.0 619 528 A 40 CYS H A 39 LEU HBx 1.0 1.8 5.0 620 529 A 68 GLN HA A 56 MET HE% 1.0 1.8 5.0 621 530 A 56 MET HE% A 56 MET HA 1.0 1.8 5.0 622 531 A 56 MET HE% A 55 GLY HAy 1.0 1.8 5.0 623 532 A 56 MET HE% A 56 MET HGx 1.0 1.8 5.0 624 533 A 38 ILE HG2% A 56 MET HE% 1.0 1.8 3.5 625 534 A 52 HIS H A 56 MET HE% 1.0 1.8 5.0 626 535 A 51 PHE HD2 A 56 MET HE% 1.0 1.8 3.5 627 536 A 56 MET HE% A 51 PHE HE2 1.0 1.8 5.0 628 537 A 27 MET HE% A 25 THR HB 1.0 1.8 5.0 629 538 A 27 MET HE% A 28 PRO HDy 1.0 1.8 5.0 630 539 A 27 MET HE% A 28 PRO HDx 1.0 1.8 5.0 631 540 A 51 PHE HBx A 34 MET HE% 1.0 1.8 5.0 632 541 A 27 MET HE% A 27 MET HGy 1.0 1.8 5.0 633 542 A 27 MET HE% A 27 MET HGx 1.0 1.8 5.0 634 543 A 36 VAL HGx% A 34 MET HE% 1.0 1.8 5.0 635 544 A 34 MET HE% A 68 GLN HE2y 1.0 1.8 5.0 636 545 A 51 PHE HD1 A 34 MET HE% 1.0 1.8 5.0 637 546 A 27 MET H A 27 MET HE% 1.0 1.8 5.0 638 547 A 68 GLN HA A 68 GLN HGx 1.0 1.8 5.0 639 548 A 68 GLN HA A 68 GLN HGy 1.0 1.8 5.0 640 549 A 39 LEU HBx A 39 LEU HDy% 1.0 1.8 5.0 641 550 A 69 ALA HB% A 39 LEU HBy 1.0 1.8 3.5 642 551 A 40 CYS H A 39 LEU HG 1.0 1.8 5.0 643 552 A 39 LEU HA A 39 LEU HDx% 1.0 1.8 5.0 644 553 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 3.5 645 553 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 3.5 646 554 A 39 LEU HBy A 39 LEU HDx% 1.0 1.8 3.5 647 555 A 39 LEU HBx A 39 LEU HDx% 1.0 1.8 5.0 648 556 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 5.0 649 557 A 39 LEU HBy A 39 LEU HDy% 1.0 1.8 3.5 650 558 A 40 CYS HBy A 43 CYS H 1.0 1.8 5.0 651 559 A 50 GLN HA A 50 GLN HGx 1.0 1.8 5.0 652 559 A 50 GLN HA A 50 GLN HGy 1.0 1.8 5.0 653 560 A 50 GLN HBx A 50 GLN HGx 1.0 1.8 3.5 654 560 A 50 GLN HBy A 50 GLN HGx 1.0 1.8 3.5 655 560 A 50 GLN HGy A 50 GLN HBx 1.0 1.8 3.5 656 560 A 50 GLN HBy A 50 GLN HGy 1.0 1.8 3.5 657 561 A 56 MET HA A 56 MET HGx 1.0 1.8 5.0 658 562 A 56 MET HA A 56 MET HGy 1.0 1.8 5.0 659 563 A 72 ARG HBx A 72 ARG HDx 1.0 1.8 5.0 660 563 A 72 ARG HDy A 72 ARG HBx 1.0 1.8 5.0 661 564 A 73 ARG HA A 73 ARG HGx 1.0 1.8 5.0 662 564 A 73 ARG HA A 73 ARG HGy 1.0 1.8 5.0 663 565 A 72 ARG HBx A 72 ARG HGx 1.0 1.8 3.5 664 565 A 72 ARG HGy A 72 ARG HBx 1.0 1.8 3.5 665 566 A 73 ARG HBy A 73 ARG HGx 1.0 1.8 3.5 666 566 A 73 ARG HBx A 73 ARG HGx 1.0 1.8 3.5 667 566 A 73 ARG HGy A 73 ARG HBx 1.0 1.8 3.5 668 566 A 73 ARG HBy A 73 ARG HGy 1.0 1.8 3.5 669 567 A 73 ARG HA A 73 ARG HDx 1.0 1.8 5.0 670 567 A 73 ARG HDy A 73 ARG HA 1.0 1.8 5.0 671 568 A 73 ARG HBx A 73 ARG HDx 1.0 1.8 3.5 672 568 A 73 ARG HBy A 73 ARG HDx 1.0 1.8 3.5 673 568 A 73 ARG HDy A 73 ARG HBx 1.0 1.8 3.5 674 568 A 73 ARG HBy A 73 ARG HDy 1.0 1.8 3.5 675 569 A 46 ARG HBy A 46 ARG HDx 1.0 1.8 3.5 676 569 A 46 ARG HBy A 46 ARG HDy 1.0 1.8 3.5 677 570 A 74 ILE H A 73 ARG HDx 1.0 1.8 5.0 678 570 A 74 ILE H A 73 ARG HDy 1.0 1.8 5.0 679 571 A 36 VAL HGx% A 36 VAL HA 1.0 1.8 3.5 680 572 A 36 VAL HGy% A 36 VAL HA 1.0 1.8 5.0 681 573 A 37 ASP H A 36 VAL HGy% 1.0 1.8 5.0 682 574 A 17 GLN HA A 17 GLN HGx 1.0 1.8 5.0 683 574 A 17 GLN HGy A 17 GLN HA 1.0 1.8 5.0 684 575 A 32 GLN HA A 32 GLN HGx 1.0 1.8 5.0 685 575 A 32 GLN HGy A 32 GLN HA 1.0 1.8 5.0 686 576 A 59 LYS HA A 59 LYS HGx 1.0 1.8 5.0 687 577 A 59 LYS HA A 59 LYS HGy 1.0 1.8 5.0 688 578 A 59 LYS HA A 59 LYS HDx 1.0 1.8 5.0 689 578 A 59 LYS HA A 59 LYS HDy 1.0 1.8 5.0 690 579 A 59 LYS HA A 59 LYS HEx 1.0 1.8 6.0 691 579 A 59 LYS HA A 59 LYS HEy 1.0 1.8 6.0 692 580 A 59 LYS HEy A 59 LYS HBx 1.0 1.8 5.0 693 580 A 59 LYS HBx A 59 LYS HEx 1.0 1.8 5.0 694 581 A 59 LYS HEy A 59 LYS HBy 1.0 1.8 5.0 695 581 A 59 LYS HBy A 59 LYS HEx 1.0 1.8 5.0 696 582 A 59 LYS HGx A 59 LYS HEx 1.0 1.8 5.0 697 582 A 59 LYS HEy A 59 LYS HGx 1.0 1.8 5.0 698 583 A 59 LYS HEy A 59 LYS HGy 1.0 1.8 5.0 699 583 A 59 LYS HEx A 59 LYS HGy 1.0 1.8 5.0 700 584 A 43 CYS H A 42 ASP HBx 1.0 1.8 5.0 701 585 A 43 CYS H A 42 ASP HBy 1.0 1.8 5.0 702 586 A 38 ILE HA A 38 ILE HG1x 1.0 1.8 5.0 703 586 A 38 ILE HA A 38 ILE HG1y 1.0 1.8 5.0 704 587 A 38 ILE HD1% A 38 ILE HA 1.0 1.8 5.0 705 588 A 38 ILE HG2% A 38 ILE HA 1.0 1.8 3.5 706 589 A 38 ILE HG2% A 38 ILE HG1x 1.0 1.8 3.5 707 589 A 38 ILE HG2% A 38 ILE HG1y 1.0 1.8 3.5 708 590 A 49 VAL HGy% A 38 ILE HG1x 1.0 1.8 5.0 709 590 A 49 VAL HGy% A 38 ILE HG1y 1.0 1.8 5.0 710 591 A 38 ILE HG2% A 38 ILE HD1% 1.0 1.8 3.5 711 592 A 38 ILE HD1% A 49 VAL HGy% 1.0 1.8 3.5 712 593 A 38 ILE HG2% A 39 LEU H 1.0 1.8 5.0 713 594 A 38 ILE HD1% A 38 ILE HB 1.0 1.8 3.5 714 595 A 27 MET H A 26 PRO HA 1.0 1.8 5.0 715 596 A 12 THR HG2% A 12 THR HA 1.0 1.8 5.0 716 597 A 13 ARG H A 12 THR HG2% 1.0 1.8 5.0 717 598 A 13 ARG HA A 13 ARG HGx 1.0 1.8 5.0 718 598 A 13 ARG HA A 13 ARG HGy 1.0 1.8 5.0 719 599 A 13 ARG HA A 13 ARG HDx 1.0 1.8 5.0 720 599 A 13 ARG HA A 13 ARG HDy 1.0 1.8 5.0 721 600 A 13 ARG HBy A 13 ARG HDx 1.0 1.8 3.5 722 600 A 13 ARG HBx A 13 ARG HDx 1.0 1.8 3.5 723 600 A 13 ARG HDy A 13 ARG HBx 1.0 1.8 3.5 724 600 A 13 ARG HBy A 13 ARG HDy 1.0 1.8 3.5 725 601 A 13 ARG HDy A 13 ARG HGx 1.0 1.8 3.5 726 601 A 13 ARG HDx A 13 ARG HGx 1.0 1.8 3.5 727 601 A 13 ARG HGy A 13 ARG HDx 1.0 1.8 3.5 728 601 A 13 ARG HGy A 13 ARG HDy 1.0 1.8 3.5 729 602 A 60 ILE HG1y A 60 ILE HA 1.0 1.8 5.0 730 603 A 60 ILE HG1x A 60 ILE HA 1.0 1.8 5.0 731 604 A 60 ILE HG2% A 60 ILE HA 1.0 1.8 3.5 732 605 A 60 ILE HG1y A 60 ILE HG2% 1.0 1.8 3.5 733 606 A 53 ILE HG2% A 53 ILE HG1y 1.0 1.8 3.5 734 607 A 60 ILE HG1x A 60 ILE HG2% 1.0 1.8 5.0 735 608 A 60 ILE HD1% A 60 ILE HA 1.0 1.8 5.0 736 609 A 60 ILE HD1% A 60 ILE HB 1.0 1.8 3.5 737 610 A 60 ILE HD1% A 60 ILE HG2% 1.0 1.8 2.7 738 611 A 60 ILE HD1% A 61 CYS H 1.0 1.8 5.0 739 612 A 48 THR H A 47 SER HBy 1.0 1.8 5.0 740 613 A 66 THR HG2% A 66 THR HA 1.0 1.8 5.0 741 614 A 9 LEU HA A 9 LEU HG 1.0 1.8 5.0 742 615 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 5.0 743 616 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 5.0 744 617 A 9 LEU HG A 9 LEU HBx 1.0 1.8 2.7 745 617 A 9 LEU HBy A 9 LEU HG 1.0 1.8 2.7 746 618 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 3.5 747 618 A 9 LEU HDy% A 9 LEU HBx 1.0 1.8 3.5 748 619 A 49 VAL HGx% A 49 VAL HA 1.0 1.8 3.5 749 620 A 36 VAL HGx% A 35 THR H 1.0 1.8 5.0 750 621 A 36 VAL HGx% A 37 ASP H 1.0 1.8 6.0 751 622 A 49 VAL HGy% A 49 VAL HA 1.0 1.8 5.0 752 623 A 48 THR HG2% A 48 THR HA 1.0 1.8 3.5 753 624 A 25 THR H A 24 GLN HBx 1.0 1.8 6.0 754 625 A 25 THR H A 24 GLN HBy 1.0 1.8 6.0 755 626 A 24 GLN HA A 24 GLN HGx 1.0 1.8 5.0 756 626 A 24 GLN HA A 24 GLN HGy 1.0 1.8 5.0 757 627 A 25 THR H A 24 GLN HGx 1.0 1.8 5.0 758 627 A 25 THR H A 24 GLN HGy 1.0 1.8 5.0 759 628 A 35 THR HA A 35 THR HG2% 1.0 1.8 3.5 760 629 A 34 MET HA A 34 MET HGx 1.0 1.8 5.0 761 630 A 34 MET HA A 34 MET HGy 1.0 1.8 5.0 762 631 A 46 ARG HA A 38 ILE HG1x 1.0 1.8 5.0 763 631 A 46 ARG HA A 38 ILE HG1y 1.0 1.8 5.0 764 632 A 46 ARG HA A 46 ARG HDx 1.0 1.8 5.0 765 632 A 46 ARG HA A 46 ARG HDy 1.0 1.8 5.0 766 633 A 37 ASP HA A 46 ARG HDx 1.0 1.8 6.0 767 633 A 37 ASP HA A 46 ARG HDy 1.0 1.8 6.0 768 634 A 46 ARG HBx A 46 ARG HDx 1.0 1.8 5.0 769 634 A 46 ARG HBx A 46 ARG HDy 1.0 1.8 5.0 770 635 A 62 GLU HA A 62 GLU HGx 1.0 1.8 5.0 771 636 A 62 GLU HA A 62 GLU HGy 1.0 1.8 5.0 772 637 A 69 ALA HB% A 70 GLY H 1.0 1.8 5.0 773 638 A 4 MET HA A 4 MET HGx 1.0 1.8 5.0 774 638 A 4 MET HGy A 4 MET HA 1.0 1.8 5.0 775 639 A 78 GLN HA A 78 GLN HGx 1.0 1.8 5.0 776 639 A 78 GLN HGy A 78 GLN HA 1.0 1.8 5.0 777 640 A 75 SER HA A 75 SER HBx 1.0 1.8 3.5 778 640 A 75 SER HA A 75 SER HBy 1.0 1.8 3.5 779 641 A 23 ALA H A 23 ALA HB% 1.0 1.8 5.0 780 642 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 5.0 781 643 A 18 LEU HBx A 18 LEU HDx% 1.0 1.8 5.0 782 643 A 18 LEU HBy A 18 LEU HDx% 1.0 1.8 5.0 783 644 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 5.0 784 645 A 18 LEU HBy A 18 LEU HDy% 1.0 1.8 5.0 785 645 A 18 LEU HDy% A 18 LEU HBx 1.0 1.8 5.0 786 646 A 72 ARG HA A 72 ARG HGx 1.0 1.8 3.5 787 646 A 72 ARG HGy A 72 ARG HA 1.0 1.8 3.5 788 647 A 76 LEU HA A 76 LEU HDx% 1.0 1.8 5.0 789 648 A 76 LEU HA A 76 LEU HDy% 1.0 1.8 5.0 790 649 A 76 LEU HBx A 76 LEU HDx% 1.0 1.8 3.5 791 649 A 76 LEU HBy A 76 LEU HDx% 1.0 1.8 3.5 792 650 A 76 LEU HBy A 76 LEU HDy% 1.0 1.8 3.5 793 650 A 76 LEU HDy% A 76 LEU HBx 1.0 1.8 3.5 794 651 A 77 ASP H A 76 LEU HDy% 1.0 1.8 5.0 795 652 A 30 GLU HA A 30 GLU HGy 1.0 1.8 5.0 796 653 A 30 GLU HBy A 30 GLU HGx 1.0 1.8 3.5 797 653 A 30 GLU HBx A 30 GLU HGx 1.0 1.8 3.5 798 654 A 30 GLU HBy A 30 GLU HGy 1.0 1.8 3.5 799 654 A 30 GLU HGy A 30 GLU HBx 1.0 1.8 3.5 800 655 A 30 GLU HA A 30 GLU HGx 1.0 1.8 5.0 801 656 A 11 MET HA A 11 MET HGx 1.0 1.8 3.5 802 656 A 11 MET HA A 11 MET HGy 1.0 1.8 3.5 803 657 A 15 TRP H A 14 TYR HBx 1.0 1.8 5.0 804 657 A 14 TYR HBy A 15 TRP H 1.0 1.8 5.0 805 658 A 79 GLN H A 78 GLN HGx 1.0 1.8 6.0 806 658 A 78 GLN HGy A 79 GLN H 1.0 1.8 6.0 807 659 A 25 THR HA A 25 THR HG2% 1.0 1.8 3.5 808 660 A 6 HIS HA A 6 HIS HBx 1.0 1.8 3.5 809 660 A 6 HIS HA A 6 HIS HBy 1.0 1.8 3.5 810 661 A 57 LYS HEy A 57 LYS HBx 1.0 1.8 5.0 811 661 A 57 LYS HBx A 57 LYS HEx 1.0 1.8 5.0 812 662 A 57 LYS HEy A 57 LYS HBy 1.0 1.8 5.0 813 662 A 57 LYS HBy A 57 LYS HEx 1.0 1.8 5.0 814 663 A 21 GLU HA A 21 GLU HGx 1.0 1.8 5.0 815 664 A 79 GLN H A 78 GLN HBx 1.0 1.8 6.0 816 664 A 78 GLN HBy A 79 GLN H 1.0 1.8 6.0 817 665 A 21 GLU HA A 21 GLU HGy 1.0 1.8 5.0 818 666 A 74 ILE HG2% A 74 ILE HA 1.0 1.8 5.0 819 667 A 74 ILE HA A 74 ILE HD1% 1.0 1.8 5.0 820 668 A 74 ILE HD1% A 74 ILE HB 1.0 1.8 5.0 821 669 A 74 ILE HB A 75 SER H 1.0 1.8 6.0 822 670 A 74 ILE HG2% A 74 ILE HG1x 1.0 1.8 5.0 823 671 A 74 ILE HG2% A 74 ILE HG1y 1.0 1.8 5.0 824 672 A 74 ILE HG2% A 74 ILE HD1% 1.0 1.8 2.7 825 673 A 53 ILE HG2% A 53 ILE HA 1.0 1.8 3.5 826 674 A 53 ILE HG2% A 53 ILE HG1x 1.0 1.8 3.5 827 675 A 53 ILE HA A 53 ILE HD1% 1.0 1.8 5.0 828 676 A 53 ILE HD1% A 53 ILE HB 1.0 1.8 3.5 829 677 A 27 MET HBx A 28 PRO HDx 1.0 1.8 5.0 830 677 A 27 MET HBy A 28 PRO HDx 1.0 1.8 5.0 831 678 A 28 PRO HDy A 27 MET HBx 1.0 1.8 5.0 832 678 A 27 MET HBy A 28 PRO HDy 1.0 1.8 5.0 833 679 A 18 LEU HA A 21 GLU HGy 1.0 1.8 5.0 834 680 A 35 THR HG2% A 34 MET HA 1.0 1.8 5.0 835 681 A 35 THR HB A 48 THR HB 1.0 1.8 5.0 836 682 A 48 THR HG2% A 35 THR HG2% 1.0 1.8 5.0 837 683 A 35 THR HG2% A 49 VAL HA 1.0 1.8 5.0 838 684 A 35 THR HA A 36 VAL HA 1.0 1.8 6.0 839 685 A 35 THR HB A 36 VAL HA 1.0 1.8 5.0 840 686 A 37 ASP HBy A 46 ARG HDx 1.0 1.8 5.0 841 686 A 37 ASP HBx A 46 ARG HDx 1.0 1.8 5.0 842 686 A 46 ARG HDy A 37 ASP HBx 1.0 1.8 5.0 843 686 A 37 ASP HBy A 46 ARG HDy 1.0 1.8 5.0 844 687 A 48 THR HA A 37 ASP HBx 1.0 1.8 5.0 845 687 A 37 ASP HBy A 48 THR HA 1.0 1.8 5.0 846 688 A 38 ILE HA A 37 ASP HA 1.0 1.8 5.0 847 689 A 38 ILE HA A 66 THR HB 1.0 1.8 5.0 848 690 A 38 ILE HD1% A 66 THR HA 1.0 1.8 5.0 849 691 A 37 ASP HA A 38 ILE HG1x 1.0 1.8 6.0 850 691 A 37 ASP HA A 38 ILE HG1y 1.0 1.8 6.0 851 692 A 56 MET HE% A 38 ILE HG1x 1.0 1.8 5.0 852 692 A 56 MET HE% A 38 ILE HG1y 1.0 1.8 5.0 853 693 A 66 THR HB A 38 ILE HG1x 1.0 1.8 5.0 854 693 A 38 ILE HG1y A 66 THR HB 1.0 1.8 5.0 855 694 A 38 ILE HG2% A 66 THR HG2% 1.0 1.8 5.0 856 695 A 38 ILE HD1% A 39 LEU HA 1.0 1.8 5.0 857 696 A 39 LEU HBx A 67 ALA HB% 1.0 1.8 5.0 858 697 A 74 ILE HG2% A 73 ARG HBx 1.0 1.8 6.0 859 697 A 73 ARG HBy A 74 ILE HG2% 1.0 1.8 6.0 860 698 A 40 CYS HA A 39 LEU HA 1.0 1.8 5.0 861 699 A 41 ASN HBy A 40 CYS HA 1.0 1.8 5.0 862 700 A 40 CYS HBx A 43 CYS HA 1.0 1.8 5.0 863 701 A 40 CYS HBy A 45 GLY HAx 1.0 1.8 5.0 864 702 A 41 ASN HA A 42 ASP HA 1.0 1.8 5.0 865 703 A 67 ALA HB% A 41 ASN HA 1.0 1.8 5.0 866 704 A 42 ASP H A 43 CYS HBx 1.0 1.8 5.0 867 705 A 40 CYS HBx A 43 CYS HBx 1.0 1.8 5.0 868 706 A 40 CYS HBy A 44 ASN HA 1.0 1.8 5.0 869 707 A 44 ASN HA A 45 GLY HAy 1.0 1.8 5.0 870 708 A 35 THR HG2% A 48 THR HB 1.0 1.8 5.0 871 709 A 48 THR HG2% A 49 VAL HA 1.0 1.8 5.0 872 710 A 49 VAL H A 35 THR HB 1.0 1.8 5.0 873 711 A 56 MET HE% A 51 PHE HA 1.0 1.8 5.0 874 712 A 51 PHE HD1 A 36 VAL HGx% 1.0 1.8 6.0 875 713 A 51 PHE HD2 A 36 VAL HGx% 1.0 1.8 6.0 876 714 A 51 PHE H A 49 VAL HGy% 1.0 1.8 6.0 877 715 A 53 ILE HA A 52 HIS HA 1.0 1.8 5.0 878 716 A 56 MET HA A 55 GLY HAx 1.0 1.8 5.0 879 717 A 56 MET HE% A 56 MET HBy 1.0 1.8 2.7 880 718 A 51 PHE HBy A 56 MET HE% 1.0 1.8 5.0 881 719 A 56 MET HE% A 56 MET HBx 1.0 1.8 5.0 882 720 A 56 MET HE% A 56 MET HGy 1.0 1.8 5.0 883 721 A 60 ILE HB A 61 CYS HA 1.0 1.8 5.0 884 722 A 59 LYS HA A 60 ILE HA 1.0 1.8 5.0 885 723 A 62 GLU HA A 59 LYS HA 1.0 1.8 6.0 886 724 A 62 GLU H A 60 ILE HG2% 1.0 1.8 6.0 887 725 A 40 CYS HA A 41 ASN HA 1.0 1.8 5.0 888 726 A 40 CYS HBy A 43 CYS HA 1.0 1.8 6.0 889 727 A 40 CYS HBy A 66 THR HA 1.0 1.8 6.0 890 728 A 66 THR HA A 67 ALA HB% 1.0 1.8 5.0 891 729 A 66 THR HB A 67 ALA HA 1.0 1.8 5.0 892 730 A 38 ILE HG2% A 68 GLN H 1.0 1.8 5.0 893 731 A 37 ASP H A 48 THR HG2% 1.0 1.8 5.0 894 732 A 40 CYS H A 46 ARG HBx 1.0 1.8 5.0 895 733 A 47 SER H A 60 ILE HD1% 1.0 1.8 5.0 896 734 A 60 ILE HD1% A 47 SER HA 1.0 1.8 5.0 897 735 A 15 TRP HA A 15 TRP HD1 1.0 1.8 5.0 898 736 A 14 TYR HD1 A 14 TYR HBx 1.0 1.8 5.0 899 736 A 14 TYR HBy A 14 TYR HD1 1.0 1.8 5.0 900 737 A 6 HIS HD2 A 6 HIS HBx 1.0 1.8 5.0 901 737 A 6 HIS HD2 A 6 HIS HBy 1.0 1.8 5.0 902 738 A 52 HIS HE1 A 54 LEU HG 1.0 1.8 5.0 903 739 A 4 MET HBy A 4 MET HGx 1.0 1.8 2.7 904 739 A 4 MET HBx A 4 MET HGx 1.0 1.8 2.7 905 739 A 4 MET HGy A 4 MET HBx 1.0 1.8 2.7 906 739 A 4 MET HGy A 4 MET HBy 1.0 1.8 2.7 907 740 A 5 MET H A 4 MET HBx 1.0 1.8 5.0 908 740 A 5 MET H A 4 MET HBy 1.0 1.8 5.0 909 741 A 5 MET H A 5 MET HBy 1.0 1.8 3.5 910 741 A 5 MET H A 5 MET HBx 1.0 1.8 3.5 911 742 A 5 MET HBy A 5 MET HGx 1.0 1.8 2.7 912 742 A 5 MET HGy A 5 MET HBy 1.0 1.8 2.7 913 742 A 5 MET HGy A 5 MET HBx 1.0 1.8 2.7 914 742 A 5 MET HBx A 5 MET HGx 1.0 1.8 2.7 915 743 A 9 LEU HA A 9 LEU HDx% 1.0 1.8 3.5 916 743 A 9 LEU HA A 9 LEU HDy% 1.0 1.8 3.5 917 744 A 9 LEU HBx A 9 LEU HDx% 1.0 1.8 3.5 918 744 A 9 LEU HBy A 9 LEU HDx% 1.0 1.8 3.5 919 744 A 9 LEU HDy% A 9 LEU HBx 1.0 1.8 3.5 920 744 A 9 LEU HBy A 9 LEU HDy% 1.0 1.8 3.5 921 745 A 16 ARG H A 15 TRP HBy 1.0 1.8 5.0 922 745 A 16 ARG H A 15 TRP HBx 1.0 1.8 5.0 923 746 A 16 ARG HA A 18 LEU HDx% 1.0 1.8 6.0 924 746 A 16 ARG HA A 18 LEU HDy% 1.0 1.8 6.0 925 747 A 16 ARG HA A 19 ASP HBy 1.0 1.8 5.0 926 747 A 16 ARG HA A 19 ASP HBx 1.0 1.8 5.0 927 748 A 16 ARG HGx A 19 ASP HBy 1.0 1.8 6.0 928 748 A 19 ASP HBx A 16 ARG HGx 1.0 1.8 6.0 929 748 A 16 ARG HGy A 19 ASP HBx 1.0 1.8 6.0 930 748 A 16 ARG HGy A 19 ASP HBy 1.0 1.8 6.0 931 749 A 18 LEU H A 18 LEU HDx% 1.0 1.8 5.0 932 749 A 18 LEU H A 18 LEU HDy% 1.0 1.8 5.0 933 750 A 18 LEU HA A 18 LEU HDx% 1.0 1.8 5.0 934 750 A 18 LEU HA A 18 LEU HDy% 1.0 1.8 5.0 935 751 A 18 LEU HA A 21 GLU HBx 1.0 1.8 5.0 936 751 A 18 LEU HA A 21 GLU HBy 1.0 1.8 5.0 937 752 A 18 LEU HDx% A 21 GLU HBx 1.0 1.8 5.0 938 752 A 18 LEU HDy% A 21 GLU HBx 1.0 1.8 5.0 939 752 A 21 GLU HBy A 18 LEU HDx% 1.0 1.8 5.0 940 752 A 18 LEU HDy% A 21 GLU HBy 1.0 1.8 5.0 941 753 A 19 ASP H A 19 ASP HBy 1.0 1.8 5.0 942 753 A 19 ASP H A 19 ASP HBx 1.0 1.8 5.0 943 754 A 20 ASP H A 19 ASP HBy 1.0 1.8 5.0 944 754 A 20 ASP H A 19 ASP HBx 1.0 1.8 5.0 945 755 A 20 ASP H A 20 ASP HBy 1.0 1.8 5.0 946 755 A 20 ASP H A 20 ASP HBx 1.0 1.8 5.0 947 756 A 20 ASP H A 21 GLU HGx 1.0 1.8 5.0 948 756 A 20 ASP H A 21 GLU HGy 1.0 1.8 5.0 949 757 A 22 VAL H A 21 GLU HBx 1.0 1.8 5.0 950 757 A 22 VAL H A 21 GLU HBy 1.0 1.8 5.0 951 758 A 21 GLU HBx A 22 VAL HGx% 1.0 1.8 5.0 952 758 A 21 GLU HBy A 22 VAL HGx% 1.0 1.8 5.0 953 758 A 22 VAL HG21 A 21 GLU HBx 1.0 1.8 5.0 954 758 A 21 GLU HBy A 22 VAL HG21 1.0 1.8 5.0 955 759 A 23 ALA H A 21 GLU HBx 1.0 1.8 5.0 956 759 A 23 ALA H A 21 GLU HBy 1.0 1.8 5.0 957 760 A 22 VAL H A 21 GLU HGx 1.0 1.8 6.0 958 760 A 22 VAL H A 21 GLU HGy 1.0 1.8 6.0 959 761 A 22 VAL H A 22 VAL HGx% 1.0 1.8 3.5 960 761 A 22 VAL H A 22 VAL HG21 1.0 1.8 3.5 961 762 A 23 ALA H A 22 VAL HGx% 1.0 1.8 5.0 962 762 A 23 ALA H A 22 VAL HG21 1.0 1.8 5.0 963 763 A 23 ALA HA A 22 VAL HGx% 1.0 1.8 5.0 964 763 A 22 VAL HG21 A 23 ALA HA 1.0 1.8 5.0 965 764 A 23 ALA HB% A 22 VAL HGx% 1.0 1.8 5.0 966 764 A 23 ALA HB% A 22 VAL HG21 1.0 1.8 5.0 967 765 A 24 GLN HBy A 24 GLN HE2y 1.0 1.8 5.0 968 765 A 24 GLN HBx A 24 GLN HE2y 1.0 1.8 5.0 969 765 A 24 GLN HE2x A 24 GLN HBy 1.0 1.8 5.0 970 765 A 24 GLN HBx A 24 GLN HE2x 1.0 1.8 5.0 971 766 A 25 THR H A 24 GLN HBy 1.0 1.8 5.0 972 766 A 25 THR H A 24 GLN HBx 1.0 1.8 5.0 973 767 A 25 THR HA A 26 PRO HDx 1.0 1.8 3.5 974 767 A 25 THR HA A 26 PRO HDy 1.0 1.8 3.5 975 768 A 25 THR HA A 27 MET HGy 1.0 1.8 6.0 976 768 A 25 THR HA A 27 MET HGx 1.0 1.8 6.0 977 769 A 25 THR HB A 26 PRO HDx 1.0 1.8 5.0 978 769 A 25 THR HB A 26 PRO HDy 1.0 1.8 5.0 979 770 A 25 THR HG2% A 26 PRO HDx 1.0 1.8 5.0 980 770 A 25 THR HG2% A 26 PRO HDy 1.0 1.8 5.0 981 771 A 26 PRO HA A 27 MET HGy 1.0 1.8 6.0 982 771 A 26 PRO HA A 27 MET HGx 1.0 1.8 6.0 983 772 A 27 MET H A 27 MET HGy 1.0 1.8 5.0 984 772 A 27 MET H A 27 MET HGx 1.0 1.8 5.0 985 773 A 27 MET H A 28 PRO HDx 1.0 1.8 5.0 986 773 A 27 MET H A 28 PRO HDy 1.0 1.8 5.0 987 774 A 27 MET HA A 28 PRO HDx 1.0 1.8 3.5 988 774 A 27 MET HA A 28 PRO HDy 1.0 1.8 3.5 989 775 A 27 MET HE% A 27 MET HGy 1.0 1.8 3.5 990 775 A 27 MET HE% A 27 MET HGx 1.0 1.8 3.5 991 776 A 27 MET HE% A 28 PRO HDx 1.0 1.8 5.0 992 776 A 27 MET HE% A 28 PRO HDy 1.0 1.8 5.0 993 777 A 31 TYR H A 30 GLU HGx 1.0 1.8 5.0 994 777 A 31 TYR H A 30 GLU HGy 1.0 1.8 5.0 995 778 A 31 TYR H A 31 TYR HBx 1.0 1.8 3.5 996 778 A 31 TYR H A 31 TYR HBy 1.0 1.8 3.5 997 779 A 33 ASN HA A 33 ASN HD2y 1.0 1.8 5.0 998 779 A 33 ASN HA A 33 ASN HD2x 1.0 1.8 5.0 999 780 A 34 MET HA A 34 MET HGx 1.0 1.8 5.0 1000 780 A 34 MET HA A 34 MET HGy 1.0 1.8 5.0 1001 781 A 51 PHE HBx A 34 MET HBx 1.0 1.8 6.0 1002 781 A 51 PHE HBx A 34 MET HBy 1.0 1.8 6.0 1003 782 A 34 MET HE% A 34 MET HGx 1.0 1.8 3.5 1004 782 A 34 MET HE% A 34 MET HGy 1.0 1.8 3.5 1005 783 A 35 THR H A 34 MET HGx 1.0 1.8 5.0 1006 783 A 35 THR H A 34 MET HGy 1.0 1.8 5.0 1007 784 A 36 VAL HGx% A 34 MET HGx 1.0 1.8 5.0 1008 784 A 36 VAL HGx% A 34 MET HGy 1.0 1.8 5.0 1009 785 A 36 VAL HB A 68 GLN HGy 1.0 1.8 5.0 1010 785 A 36 VAL HB A 68 GLN HGx 1.0 1.8 5.0 1011 786 A 36 VAL HGx% A 68 GLN HGy 1.0 1.8 6.0 1012 786 A 36 VAL HGx% A 68 GLN HGx 1.0 1.8 6.0 1013 787 A 36 VAL HGy% A 56 MET HGx 1.0 1.8 5.0 1014 787 A 36 VAL HGy% A 56 MET HGy 1.0 1.8 5.0 1015 788 A 36 VAL HGy% A 68 GLN HBy 1.0 1.8 5.0 1016 788 A 36 VAL HGy% A 68 GLN HBx 1.0 1.8 5.0 1017 789 A 36 VAL HGy% A 68 GLN HGy 1.0 1.8 5.0 1018 789 A 36 VAL HGy% A 68 GLN HGx 1.0 1.8 5.0 1019 790 A 37 ASP H A 68 GLN HGy 1.0 1.8 6.0 1020 790 A 37 ASP H A 68 GLN HGx 1.0 1.8 6.0 1021 791 A 38 ILE HA A 68 GLN HGy 1.0 1.8 5.0 1022 791 A 38 ILE HA A 68 GLN HGx 1.0 1.8 5.0 1023 792 A 38 ILE HG2% A 56 MET HGx 1.0 1.8 5.0 1024 792 A 38 ILE HG2% A 56 MET HGy 1.0 1.8 5.0 1025 793 A 38 ILE HG2% A 68 GLN HGy 1.0 1.8 5.0 1026 793 A 38 ILE HG2% A 68 GLN HGx 1.0 1.8 5.0 1027 794 A 38 ILE HG1x A 47 SER HBx 1.0 1.8 5.0 1028 794 A 38 ILE HG1y A 47 SER HBx 1.0 1.8 5.0 1029 794 A 47 SER HBy A 38 ILE HG1x 1.0 1.8 5.0 1030 794 A 38 ILE HG1y A 47 SER HBy 1.0 1.8 5.0 1031 795 A 38 ILE HD1% A 47 SER HBx 1.0 1.8 5.0 1032 795 A 38 ILE HD1% A 47 SER HBy 1.0 1.8 5.0 1033 796 A 38 ILE HD1% A 56 MET HGx 1.0 1.8 5.0 1034 796 A 38 ILE HD1% A 56 MET HGy 1.0 1.8 5.0 1035 797 A 38 ILE HD1% A 58 CYS HBx 1.0 1.8 6.0 1036 797 A 38 ILE HD1% A 58 CYS HBy 1.0 1.8 6.0 1037 798 A 39 LEU HA A 39 LEU HDx% 1.0 1.8 3.5 1038 798 A 39 LEU HA A 39 LEU HDy% 1.0 1.8 3.5 1039 799 A 39 LEU HA A 46 ARG HGy 1.0 1.8 5.0 1040 799 A 39 LEU HA A 46 ARG HGx 1.0 1.8 5.0 1041 800 A 39 LEU HBx A 39 LEU HDx% 1.0 1.8 3.5 1042 800 A 39 LEU HBx A 39 LEU HDy% 1.0 1.8 3.5 1043 801 A 39 LEU HG A 46 ARG HGy 1.0 1.8 5.0 1044 801 A 39 LEU HG A 46 ARG HGx 1.0 1.8 5.0 1045 802 A 40 CYS H A 39 LEU HDx% 1.0 1.8 3.5 1046 802 A 40 CYS H A 39 LEU HDy% 1.0 1.8 3.5 1047 803 A 40 CYS HA A 39 LEU HDx% 1.0 1.8 5.0 1048 803 A 40 CYS HA A 39 LEU HDy% 1.0 1.8 5.0 1049 804 A 40 CYS HBy A 39 LEU HDx% 1.0 1.8 5.0 1050 804 A 40 CYS HBy A 39 LEU HDy% 1.0 1.8 5.0 1051 805 A 44 ASN H A 39 LEU HDx% 1.0 1.8 6.0 1052 805 A 44 ASN H A 39 LEU HDy% 1.0 1.8 6.0 1053 806 A 44 ASN HA A 39 LEU HDx% 1.0 1.8 3.5 1054 806 A 44 ASN HA A 39 LEU HDy% 1.0 1.8 3.5 1055 807 A 39 LEU HDy% A 44 ASN HBy 1.0 1.8 5.0 1056 807 A 39 LEU HDx% A 44 ASN HBy 1.0 1.8 5.0 1057 807 A 44 ASN HBx A 39 LEU HDx% 1.0 1.8 5.0 1058 807 A 39 LEU HDy% A 44 ASN HBx 1.0 1.8 5.0 1059 808 A 45 GLY H A 39 LEU HDx% 1.0 1.8 5.0 1060 808 A 45 GLY H A 39 LEU HDy% 1.0 1.8 5.0 1061 809 A 46 ARG H A 39 LEU HDx% 1.0 1.8 5.0 1062 809 A 46 ARG H A 39 LEU HDy% 1.0 1.8 5.0 1063 810 A 46 ARG HA A 39 LEU HDx% 1.0 1.8 5.0 1064 810 A 46 ARG HA A 39 LEU HDy% 1.0 1.8 5.0 1065 811 A 46 ARG HBy A 39 LEU HDx% 1.0 1.8 5.0 1066 811 A 46 ARG HBy A 39 LEU HDy% 1.0 1.8 5.0 1067 812 A 46 ARG HBx A 39 LEU HDx% 1.0 1.8 5.0 1068 812 A 46 ARG HBx A 39 LEU HDy% 1.0 1.8 5.0 1069 813 A 39 LEU HDx% A 46 ARG HGy 1.0 1.8 5.0 1070 813 A 39 LEU HDy% A 46 ARG HGy 1.0 1.8 5.0 1071 813 A 46 ARG HGx A 39 LEU HDx% 1.0 1.8 5.0 1072 813 A 39 LEU HDy% A 46 ARG HGx 1.0 1.8 5.0 1073 814 A 47 SER H A 39 LEU HDx% 1.0 1.8 6.0 1074 814 A 47 SER H A 39 LEU HDy% 1.0 1.8 6.0 1075 815 A 69 ALA HA A 39 LEU HDx% 1.0 1.8 5.0 1076 815 A 69 ALA HA A 39 LEU HDy% 1.0 1.8 5.0 1077 816 A 69 ALA HB% A 39 LEU HDx% 1.0 1.8 5.0 1078 816 A 69 ALA HB% A 39 LEU HDy% 1.0 1.8 5.0 1079 817 A 41 ASN H A 41 ASN HD2x 1.0 1.8 5.0 1080 817 A 41 ASN H A 41 ASN HD2y 1.0 1.8 5.0 1081 818 A 41 ASN HD2x A 41 ASN HA 1.0 1.8 5.0 1082 818 A 41 ASN HD2y A 41 ASN HA 1.0 1.8 5.0 1083 819 A 41 ASN HBy A 41 ASN HD2x 1.0 1.8 5.0 1084 819 A 41 ASN HD2y A 41 ASN HBy 1.0 1.8 5.0 1085 820 A 41 ASN HBy A 65 ASN HD2x 1.0 1.8 5.0 1086 820 A 41 ASN HBy A 65 ASN HD2y 1.0 1.8 5.0 1087 821 A 41 ASN HBx A 41 ASN HD2x 1.0 1.8 3.5 1088 821 A 41 ASN HD2y A 41 ASN HBx 1.0 1.8 3.5 1089 822 A 41 ASN HBx A 65 ASN HD2x 1.0 1.8 5.0 1090 822 A 41 ASN HBx A 65 ASN HD2y 1.0 1.8 5.0 1091 823 A 67 ALA HB% A 41 ASN HD2x 1.0 1.8 5.0 1092 823 A 41 ASN HD2y A 67 ALA HB% 1.0 1.8 5.0 1093 824 A 42 ASP H A 42 ASP HBx 1.0 1.8 3.5 1094 824 A 42 ASP H A 42 ASP HBy 1.0 1.8 3.5 1095 825 A 43 CYS H A 42 ASP HBx 1.0 1.8 5.0 1096 825 A 43 CYS H A 42 ASP HBy 1.0 1.8 5.0 1097 826 A 44 ASN H A 44 ASN HD2x 1.0 1.8 5.0 1098 826 A 44 ASN H A 44 ASN HD2y 1.0 1.8 5.0 1099 827 A 44 ASN HA A 44 ASN HD2x 1.0 1.8 3.5 1100 827 A 44 ASN HA A 44 ASN HD2y 1.0 1.8 3.5 1101 828 A 44 ASN HD2y A 44 ASN HBy 1.0 1.8 3.5 1102 828 A 44 ASN HD2x A 44 ASN HBy 1.0 1.8 3.5 1103 828 A 44 ASN HD2x A 44 ASN HBx 1.0 1.8 3.5 1104 828 A 44 ASN HD2y A 44 ASN HBx 1.0 1.8 3.5 1105 829 A 45 GLY H A 44 ASN HBy 1.0 1.8 5.0 1106 829 A 45 GLY H A 44 ASN HBx 1.0 1.8 5.0 1107 830 A 45 GLY HAy A 46 ARG HGy 1.0 1.8 5.0 1108 830 A 45 GLY HAy A 46 ARG HGx 1.0 1.8 5.0 1109 831 A 46 ARG H A 46 ARG HGy 1.0 1.8 3.5 1110 831 A 46 ARG H A 46 ARG HGx 1.0 1.8 3.5 1111 832 A 47 SER H A 46 ARG HGy 1.0 1.8 6.0 1112 832 A 47 SER H A 46 ARG HGx 1.0 1.8 6.0 1113 833 A 60 ILE HD1% A 46 ARG HGy 1.0 1.8 5.0 1114 833 A 60 ILE HD1% A 46 ARG HGx 1.0 1.8 5.0 1115 834 A 69 ALA HB% A 46 ARG HGy 1.0 1.8 5.0 1116 834 A 69 ALA HB% A 46 ARG HGx 1.0 1.8 5.0 1117 835 A 48 THR H A 47 SER HBx 1.0 1.8 5.0 1118 835 A 48 THR H A 47 SER HBy 1.0 1.8 5.0 1119 836 A 49 VAL HGx% A 47 SER HBx 1.0 1.8 3.5 1120 836 A 49 VAL HGx% A 47 SER HBy 1.0 1.8 3.5 1121 837 A 59 LYS H A 47 SER HBx 1.0 1.8 5.0 1122 837 A 59 LYS H A 47 SER HBy 1.0 1.8 5.0 1123 838 A 47 SER HBx A 59 LYS HBx 1.0 1.8 5.0 1124 838 A 47 SER HBy A 59 LYS HBx 1.0 1.8 5.0 1125 838 A 59 LYS HBy A 47 SER HBx 1.0 1.8 5.0 1126 838 A 47 SER HBy A 59 LYS HBy 1.0 1.8 5.0 1127 839 A 47 SER HBy A 59 LYS HGy 1.0 1.8 5.0 1128 839 A 47 SER HBx A 59 LYS HGy 1.0 1.8 5.0 1129 839 A 59 LYS HGx A 47 SER HBx 1.0 1.8 5.0 1130 839 A 47 SER HBy A 59 LYS HGx 1.0 1.8 5.0 1131 840 A 47 SER HBx A 59 LYS HDx 1.0 1.8 5.0 1132 840 A 47 SER HBy A 59 LYS HDx 1.0 1.8 5.0 1133 840 A 59 LYS HDy A 47 SER HBx 1.0 1.8 5.0 1134 840 A 59 LYS HDy A 47 SER HBy 1.0 1.8 5.0 1135 841 A 60 ILE HD1% A 47 SER HBx 1.0 1.8 5.0 1136 841 A 60 ILE HD1% A 47 SER HBy 1.0 1.8 5.0 1137 842 A 49 VAL HGx% A 56 MET HGx 1.0 1.8 6.0 1138 842 A 49 VAL HGx% A 56 MET HGy 1.0 1.8 6.0 1139 843 A 49 VAL HGx% A 59 LYS HBx 1.0 1.8 5.0 1140 843 A 49 VAL HGx% A 59 LYS HBy 1.0 1.8 5.0 1141 844 A 49 VAL HGx% A 59 LYS HGy 1.0 1.8 5.0 1142 844 A 49 VAL HGx% A 59 LYS HGx 1.0 1.8 5.0 1143 845 A 49 VAL HGy% A 56 MET HGx 1.0 1.8 3.5 1144 845 A 49 VAL HGy% A 56 MET HGy 1.0 1.8 3.5 1145 846 A 50 GLN HA A 50 GLN HE2x 1.0 1.8 5.0 1146 846 A 50 GLN HA A 50 GLN HE2y 1.0 1.8 5.0 1147 847 A 50 GLN HBy A 50 GLN HE2x 1.0 1.8 5.0 1148 847 A 50 GLN HE2x A 50 GLN HBx 1.0 1.8 5.0 1149 847 A 50 GLN HBy A 50 GLN HE2y 1.0 1.8 5.0 1150 847 A 50 GLN HE2y A 50 GLN HBx 1.0 1.8 5.0 1151 848 A 51 PHE H A 50 GLN HE2x 1.0 1.8 5.0 1152 848 A 51 PHE H A 50 GLN HE2y 1.0 1.8 5.0 1153 849 A 51 PHE HA A 56 MET HGx 1.0 1.8 5.0 1154 849 A 51 PHE HA A 56 MET HGy 1.0 1.8 5.0 1155 850 A 51 PHE HD2 A 68 GLN HGy 1.0 1.8 6.0 1156 850 A 51 PHE HD2 A 68 GLN HGx 1.0 1.8 6.0 1157 851 A 52 HIS H A 52 HIS HBy 1.0 1.8 5.0 1158 851 A 52 HIS H A 52 HIS HBx 1.0 1.8 5.0 1159 852 A 52 HIS HBy A 54 LEU HDx% 1.0 1.8 6.0 1160 852 A 52 HIS HBx A 54 LEU HDx% 1.0 1.8 6.0 1161 852 A 54 LEU HDy% A 52 HIS HBy 1.0 1.8 6.0 1162 852 A 52 HIS HBx A 54 LEU HDy% 1.0 1.8 6.0 1163 853 A 55 GLY H A 52 HIS HBy 1.0 1.8 5.0 1164 853 A 55 GLY H A 52 HIS HBx 1.0 1.8 5.0 1165 854 A 56 MET HA A 52 HIS HBy 1.0 1.8 6.0 1166 854 A 56 MET HA A 52 HIS HBx 1.0 1.8 6.0 1167 855 A 52 HIS HD2 A 54 LEU HDx% 1.0 1.8 6.0 1168 855 A 52 HIS HD2 A 54 LEU HDy% 1.0 1.8 6.0 1169 856 A 52 HIS HE1 A 54 LEU HBy 1.0 1.8 5.0 1170 856 A 52 HIS HE1 A 54 LEU HBx 1.0 1.8 5.0 1171 857 A 52 HIS HE1 A 54 LEU HDx% 1.0 1.8 5.0 1172 857 A 52 HIS HE1 A 54 LEU HDy% 1.0 1.8 5.0 1173 858 A 53 ILE HA A 53 ILE HG1x 1.0 1.8 5.0 1174 858 A 53 ILE HA A 53 ILE HG1y 1.0 1.8 5.0 1175 859 A 53 ILE HB A 54 LEU HDx% 1.0 1.8 3.5 1176 859 A 53 ILE HB A 54 LEU HDy% 1.0 1.8 3.5 1177 860 A 53 ILE HG2% A 53 ILE HG1x 1.0 1.8 3.5 1178 860 A 53 ILE HG2% A 53 ILE HG1y 1.0 1.8 3.5 1179 861 A 54 LEU HA A 54 LEU HDx% 1.0 1.8 3.5 1180 861 A 54 LEU HA A 54 LEU HDy% 1.0 1.8 3.5 1181 862 A 56 MET H A 56 MET HGx 1.0 1.8 5.0 1182 862 A 56 MET H A 56 MET HGy 1.0 1.8 5.0 1183 863 A 56 MET HE% A 56 MET HGx 1.0 1.8 3.5 1184 863 A 56 MET HE% A 56 MET HGy 1.0 1.8 3.5 1185 864 A 57 LYS H A 56 MET HGx 1.0 1.8 5.0 1186 864 A 57 LYS H A 56 MET HGy 1.0 1.8 5.0 1187 865 A 57 LYS H A 57 LYS HBx 1.0 1.8 3.5 1188 865 A 57 LYS H A 57 LYS HBy 1.0 1.8 3.5 1189 866 A 57 LYS H A 57 LYS HGy 1.0 1.8 5.0 1190 866 A 57 LYS H A 57 LYS HGx 1.0 1.8 5.0 1191 867 A 57 LYS HA A 57 LYS HGy 1.0 1.8 5.0 1192 867 A 57 LYS HA A 57 LYS HGx 1.0 1.8 5.0 1193 868 A 57 LYS HBx A 57 LYS HEx 1.0 1.8 5.0 1194 868 A 57 LYS HBy A 57 LYS HEx 1.0 1.8 5.0 1195 868 A 57 LYS HEy A 57 LYS HBx 1.0 1.8 5.0 1196 868 A 57 LYS HEy A 57 LYS HBy 1.0 1.8 5.0 1197 869 A 58 CYS H A 57 LYS HBx 1.0 1.8 5.0 1198 869 A 58 CYS H A 57 LYS HBy 1.0 1.8 5.0 1199 870 A 58 CYS HA A 57 LYS HBx 1.0 1.8 6.0 1200 870 A 58 CYS HA A 57 LYS HBy 1.0 1.8 6.0 1201 871 A 62 GLU HA A 57 LYS HDy 1.0 1.8 5.0 1202 871 A 62 GLU HA A 57 LYS HDx 1.0 1.8 5.0 1203 872 A 57 LYS HDy A 62 GLU HBx 1.0 1.8 5.0 1204 872 A 57 LYS HDx A 62 GLU HBx 1.0 1.8 5.0 1205 872 A 62 GLU HBy A 57 LYS HDy 1.0 1.8 5.0 1206 872 A 57 LYS HDx A 62 GLU HBy 1.0 1.8 5.0 1207 873 A 57 LYS HDy A 62 GLU HGx 1.0 1.8 6.0 1208 873 A 57 LYS HDx A 62 GLU HGx 1.0 1.8 6.0 1209 873 A 62 GLU HGy A 57 LYS HDy 1.0 1.8 6.0 1210 873 A 57 LYS HDx A 62 GLU HGy 1.0 1.8 6.0 1211 874 A 58 CYS HA A 59 LYS HGy 1.0 1.8 6.0 1212 874 A 58 CYS HA A 59 LYS HGx 1.0 1.8 6.0 1213 875 A 59 LYS H A 58 CYS HBx 1.0 1.8 5.0 1214 875 A 59 LYS H A 58 CYS HBy 1.0 1.8 5.0 1215 876 A 61 CYS H A 58 CYS HBx 1.0 1.8 5.0 1216 876 A 61 CYS H A 58 CYS HBy 1.0 1.8 5.0 1217 877 A 62 GLU H A 58 CYS HBx 1.0 1.8 5.0 1218 877 A 62 GLU H A 58 CYS HBy 1.0 1.8 5.0 1219 878 A 62 GLU HA A 58 CYS HBx 1.0 1.8 5.0 1220 878 A 62 GLU HA A 58 CYS HBy 1.0 1.8 5.0 1221 879 A 63 SER H A 58 CYS HBx 1.0 1.8 3.5 1222 879 A 63 SER H A 58 CYS HBy 1.0 1.8 3.5 1223 880 A 58 CYS HBx A 63 SER HBx 1.0 1.8 6.0 1224 880 A 58 CYS HBy A 63 SER HBx 1.0 1.8 6.0 1225 880 A 63 SER HBy A 58 CYS HBx 1.0 1.8 6.0 1226 880 A 63 SER HBy A 58 CYS HBy 1.0 1.8 6.0 1227 881 A 66 THR HG2% A 58 CYS HBx 1.0 1.8 5.0 1228 881 A 66 THR HG2% A 58 CYS HBy 1.0 1.8 5.0 1229 882 A 59 LYS H A 59 LYS HGy 1.0 1.8 5.0 1230 882 A 59 LYS H A 59 LYS HGx 1.0 1.8 5.0 1231 883 A 59 LYS HA A 59 LYS HGy 1.0 1.8 3.5 1232 883 A 59 LYS HA A 59 LYS HGx 1.0 1.8 3.5 1233 884 A 59 LYS HBx A 59 LYS HDx 1.0 1.8 2.7 1234 884 A 59 LYS HBy A 59 LYS HDx 1.0 1.8 2.7 1235 884 A 59 LYS HDy A 59 LYS HBx 1.0 1.8 2.7 1236 884 A 59 LYS HDy A 59 LYS HBy 1.0 1.8 2.7 1237 885 A 59 LYS HBx A 59 LYS HEx 1.0 1.8 5.0 1238 885 A 59 LYS HBy A 59 LYS HEx 1.0 1.8 5.0 1239 885 A 59 LYS HEy A 59 LYS HBx 1.0 1.8 5.0 1240 885 A 59 LYS HEy A 59 LYS HBy 1.0 1.8 5.0 1241 886 A 60 ILE H A 59 LYS HBx 1.0 1.8 5.0 1242 886 A 60 ILE H A 59 LYS HBy 1.0 1.8 5.0 1243 887 A 59 LYS HEy A 59 LYS HGy 1.0 1.8 3.5 1244 887 A 59 LYS HEx A 59 LYS HGy 1.0 1.8 3.5 1245 887 A 59 LYS HGx A 59 LYS HEx 1.0 1.8 3.5 1246 887 A 59 LYS HEy A 59 LYS HGx 1.0 1.8 3.5 1247 888 A 60 ILE H A 59 LYS HGy 1.0 1.8 6.0 1248 888 A 60 ILE H A 59 LYS HGx 1.0 1.8 6.0 1249 889 A 61 CYS HA A 62 GLU HGx 1.0 1.8 6.0 1250 889 A 61 CYS HA A 62 GLU HGy 1.0 1.8 6.0 1251 890 A 62 GLU H A 62 GLU HGx 1.0 1.8 5.0 1252 890 A 62 GLU H A 62 GLU HGy 1.0 1.8 5.0 1253 891 A 66 THR H A 65 ASN HBy 1.0 1.8 5.0 1254 891 A 66 THR H A 65 ASN HBx 1.0 1.8 5.0 1255 892 A 67 ALA HB% A 68 GLN HBy 1.0 1.8 5.0 1256 892 A 67 ALA HB% A 68 GLN HBx 1.0 1.8 5.0 1257 893 A 68 GLN H A 68 GLN HBy 1.0 1.8 3.5 1258 893 A 68 GLN H A 68 GLN HBx 1.0 1.8 3.5 1259 894 A 68 GLN H A 68 GLN HGy 1.0 1.8 5.0 1260 894 A 68 GLN H A 68 GLN HGx 1.0 1.8 5.0 1261 895 A 69 ALA H A 68 GLN HBy 1.0 1.8 5.0 1262 895 A 69 ALA H A 68 GLN HBx 1.0 1.8 5.0 1263 896 A 69 ALA H A 68 GLN HGy 1.0 1.8 5.0 1264 896 A 69 ALA H A 68 GLN HGx 1.0 1.8 5.0 1265 897 A 74 ILE H A 74 ILE HG1x 1.0 1.8 5.0 1266 897 A 74 ILE H A 74 ILE HG1y 1.0 1.8 5.0 1267 898 A 74 ILE HA A 74 ILE HG1x 1.0 1.8 5.0 1268 898 A 74 ILE HA A 74 ILE HG1y 1.0 1.8 5.0 1269 899 A 76 LEU HA A 77 ASP HBx 1.0 1.8 5.0 1270 899 A 76 LEU HA A 77 ASP HBy 1.0 1.8 5.0 1271 900 A 76 LEU HBx A 77 ASP HBx 1.0 1.8 6.0 1272 900 A 76 LEU HBy A 77 ASP HBx 1.0 1.8 6.0 1273 900 A 77 ASP HBy A 76 LEU HBx 1.0 1.8 6.0 1274 900 A 76 LEU HBy A 77 ASP HBy 1.0 1.8 6.0 1275 901 A 77 ASP H A 76 LEU HDx% 1.0 1.8 5.0 1276 901 A 77 ASP H A 76 LEU HDy% 1.0 1.8 5.0 1277 902 A 76 LEU HDx% A 77 ASP HBx 1.0 1.8 5.0 1278 902 A 76 LEU HDy% A 77 ASP HBx 1.0 1.8 5.0 1279 902 A 77 ASP HBy A 76 LEU HDx% 1.0 1.8 5.0 1280 902 A 77 ASP HBy A 76 LEU HDy% 1.0 1.8 5.0 1281 903 A 76 LEU HDy% A 78 GLN HBx 1.0 1.8 5.0 1282 903 A 76 LEU HDx% A 78 GLN HBx 1.0 1.8 5.0 1283 903 A 78 GLN HBy A 76 LEU HDx% 1.0 1.8 5.0 1284 903 A 78 GLN HBy A 76 LEU HDy% 1.0 1.8 5.0 1285 904 A 76 LEU HDy% A 78 GLN HGx 1.0 1.8 5.0 1286 904 A 76 LEU HDx% A 78 GLN HGx 1.0 1.8 5.0 1287 904 A 78 GLN HGy A 76 LEU HDx% 1.0 1.8 5.0 1288 904 A 78 GLN HGy A 76 LEU HDy% 1.0 1.8 5.0 1289 905 A 76 LEU HDy% A 78 GLN HE2y 1.0 1.8 5.0 1290 905 A 76 LEU HDx% A 78 GLN HE2y 1.0 1.8 5.0 1291 905 A 78 GLN HE2x A 76 LEU HDx% 1.0 1.8 5.0 1292 905 A 76 LEU HDy% A 78 GLN HE2x 1.0 1.8 5.0 1293 906 A 77 ASP H A 77 ASP HBx 1.0 1.8 5.0 1294 906 A 77 ASP H A 77 ASP HBy 1.0 1.8 5.0 1295 907 A 77 ASP HA A 77 ASP HBx 1.0 1.8 2.7 1296 907 A 77 ASP HA A 77 ASP HBy 1.0 1.8 2.7 1297 908 A 78 GLN H A 77 ASP HBx 1.0 1.8 5.0 1298 908 A 78 GLN H A 77 ASP HBy 1.0 1.8 5.0 1299 909 A 79 GLN HA A 79 GLN HGy 1.0 1.8 5.0 1300 909 A 79 GLN HA A 79 GLN HGx 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _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 36 VAL H A 49 VAL O 1.0 1.8 2.3 2 2 A 49 VAL O A 36 VAL N 1.0 2.7 3.3 3 3 A 36 VAL H A 49 VAL O 1.0 1.8 2.3 4 4 A 49 VAL O A 36 VAL N 1.0 2.7 3.3 5 5 A 38 ILE H A 47 SER O 1.0 1.8 2.3 6 6 A 47 SER O A 38 ILE N 1.0 2.7 3.3 7 7 A 39 LEU H A 67 ALA O 1.0 1.8 2.3 8 8 A 67 ALA O A 39 LEU N 1.0 2.7 3.3 stop_ save_ save_CNS/XPLOR_dihedral_3 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_3 _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 6 HIS C A 7 SER N A 7 SER CA A 7 SER C 1.0 -98.0 -42.0 PHI 2 2 A 7 SER N A 7 SER CA A 7 SER C A 8 ALA N 1.0 -49.0 -1.0 PSI 3 3 A 12 THR C A 13 ARG N A 13 ARG CA A 13 ARG C 1.0 -115.0 -47.0 PHI 4 4 A 13 ARG N A 13 ARG CA A 13 ARG C A 14 TYR N 1.0 -52.0 16.0 PSI 5 5 A 16 ARG C A 17 GLN N A 17 GLN CA A 17 GLN C 1.0 -113.0 -53.0 PHI 6 6 A 17 GLN N A 17 GLN CA A 17 GLN C A 18 LEU N 1.0 -42.0 14.0 PSI 7 7 A 17 GLN C A 18 LEU N A 18 LEU CA A 18 LEU C 1.0 -100.0 -60.0 PHI 8 8 A 18 LEU N A 18 LEU CA A 18 LEU C A 19 ASP N 1.0 -47.0 17.0 PSI 9 9 A 23 ALA C A 24 GLN N A 24 GLN CA A 24 GLN C 1.0 -154.9 -52.7 PHI 10 10 A 24 GLN N A 24 GLN CA A 24 GLN C A 25 THR N 1.0 81.5 167.9 PSI 11 11 A 24 GLN C A 25 THR N A 25 THR CA A 25 THR C 1.0 -145.0 -66.4 PHI 12 12 A 25 THR N A 25 THR CA A 25 THR C A 26 PRO N 1.0 87.0 177.1 PSI 13 13 A 34 MET C A 35 THR N A 35 THR CA A 35 THR C 1.0 -163.2 -91.6 PHI 14 14 A 35 THR N A 35 THR CA A 35 THR C A 36 VAL N 1.0 126.7 169.4 PSI 15 15 A 35 THR C A 36 VAL N A 36 VAL CA A 36 VAL C 1.0 -167.3 -101.4 PHI 16 16 A 36 VAL N A 36 VAL CA A 36 VAL C A 37 ASP N 1.0 127.0 178.2 PSI 17 17 A 36 VAL C A 37 ASP N A 37 ASP CA A 37 ASP C 1.0 -164.0 -76.0 PHI 18 18 A 37 ASP N A 37 ASP CA A 37 ASP C A 38 ILE N 1.0 110.0 178.0 PSI 19 19 A 37 ASP C A 38 ILE N A 38 ILE CA A 38 ILE C 1.0 -152.2 -115.4 PHI 20 20 A 38 ILE N A 38 ILE CA A 38 ILE C A 39 LEU N 1.0 124.2 181.2 PSI 21 21 A 38 ILE C A 39 LEU N A 39 LEU CA A 39 LEU C 1.0 -153.1 -112.4 PHI 22 22 A 39 LEU N A 39 LEU CA A 39 LEU C A 40 CYS N 1.0 112.0 153.8 PSI 23 23 A 39 LEU C A 40 CYS N A 40 CYS CA A 40 CYS C 1.0 -177.1 -58.9 PHI 24 24 A 40 CYS N A 40 CYS CA A 40 CYS C A 41 ASN N 1.0 100.5 160.4 PSI 25 25 A 43 CYS C A 44 ASN N A 44 ASN CA A 44 ASN C 1.0 34.0 150.0 PHI 26 26 A 44 ASN N A 44 ASN CA A 44 ASN C A 45 GLY N 1.0 32.0 128.0 PSI 27 27 A 45 GLY C A 46 ARG N A 46 ARG CA A 46 ARG C 1.0 -154.0 -94.0 PHI 28 28 A 46 ARG N A 46 ARG CA A 46 ARG C A 47 SER N 1.0 123.0 179.0 PSI 29 29 A 46 ARG C A 47 SER N A 47 SER CA A 47 SER C 1.0 -168.4 -89.7 PHI 30 30 A 47 SER N A 47 SER CA A 47 SER C A 48 THR N 1.0 104.0 173.8 PSI 31 31 A 47 SER C A 48 THR N A 48 THR CA A 48 THR C 1.0 -141.7 -69.9 PHI 32 32 A 48 THR N A 48 THR CA A 48 THR C A 49 VAL N 1.0 111.8 163.0 PSI 33 33 A 48 THR C A 49 VAL N A 49 VAL CA A 49 VAL C 1.0 -156.8 -105.0 PHI 34 34 A 49 VAL N A 49 VAL CA A 49 VAL C A 50 GLN N 1.0 132.5 170.6 PSI 35 35 A 49 VAL C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -183.7 -75.2 PHI 36 36 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 PHE N 1.0 108.7 159.0 PSI 37 37 A 50 GLN C A 51 PHE N A 51 PHE CA A 51 PHE C 1.0 -135.1 -41.9 PHI 38 38 A 51 PHE N A 51 PHE CA A 51 PHE C A 52 HIS N 1.0 90.8 161.0 PSI 39 39 A 51 PHE C A 52 HIS N A 52 HIS CA A 52 HIS C 1.0 -135.1 -31.1 PHI 40 40 A 52 HIS N A 52 HIS CA A 52 HIS C A 53 ILE N 1.0 110.4 163.8 PSI 41 41 A 56 MET C A 57 LYS N A 57 LYS CA A 57 LYS C 1.0 -125.6 -48.7 PHI 42 42 A 57 LYS N A 57 LYS CA A 57 LYS C A 58 CYS N 1.0 90.0 149.8 PSI 43 43 A 57 LYS C A 58 CYS N A 58 CYS CA A 58 CYS C 1.0 -110.3 -35.2 PHI 44 44 A 58 CYS N A 58 CYS CA A 58 CYS C A 59 LYS N 1.0 97.3 154.2 PSI 45 45 A 65 ASN C A 66 THR N A 66 THR CA A 66 THR C 1.0 -165.3 -114.2 PHI 46 46 A 66 THR N A 66 THR CA A 66 THR C A 67 ALA N 1.0 141.4 185.4 PSI 47 47 A 66 THR C A 67 ALA N A 67 ALA CA A 67 ALA C 1.0 -187.0 -103.0 PHI 48 48 A 67 ALA N A 67 ALA CA A 67 ALA C A 68 GLN N 1.0 115.0 179.0 PSI 49 49 A 67 ALA C A 68 GLN N A 68 GLN CA A 68 GLN C 1.0 -171.0 -47.0 PHI 50 50 A 68 GLN N A 68 GLN CA A 68 GLN C A 69 ALA N 1.0 103.0 147.0 PSI 51 51 A 71 GLY C A 72 ARG N A 72 ARG CA A 72 ARG C 1.0 -143.2 -62.9 PHI 52 52 A 72 ARG N A 72 ARG CA A 72 ARG C A 73 ARG N 1.0 81.1 162.3 PSI 53 53 A 72 ARG C A 73 ARG N A 73 ARG CA A 73 ARG C 1.0 -132.3 -57.4 PHI 54 54 A 73 ARG N A 73 ARG CA A 73 ARG C A 74 ILE N 1.0 84.5 147.1 PSI 55 55 A 73 ARG C A 74 ILE N A 74 ILE CA A 74 ILE C 1.0 -147.8 -76.3 PHI 56 56 A 74 ILE N A 74 ILE CA A 74 ILE C A 75 SER N 1.0 95.3 157.8 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2108.370 2 1H 9606.148 3 1HN 3615.159 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 13071.895 2 1H 9606.148 3 1HC 5615.234 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions 3 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 6038.647 2 1H 9606.148 3 1HC 2009.465 stop_ save_