data_nef_c26889_5miz 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 6 CYS SG 1 11 CYS SG 1 7 CYS SG 2 7 CYS SG 1 20 CYS SG 2 19 CYS SG 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 . . . 2 A 2 ILE . . . 3 A 3 VAL . . . 4 A 4 GLU . . . 5 A 5 GLN . . . 6 A 6 CYS . -HG . 7 A 7 CYS . -HG . 8 A 8 ALA . . . 9 A 9 SER . . . 10 A 10 VAL . . . 11 A 11 CYS . -HG . 12 A 12 SER . . . 13 A 13 LEU . . . 14 A 14 TYR . . . 15 A 15 GLN . . . 16 A 16 LEU . . . 17 A 17 GLU . . . 18 A 18 ASN . . . 19 A 19 TYR . . . 20 A 20 CYS . -HG . 21 A 21 ASN . . . 22 B 1 PHE start . . 23 B 2 VAL middle . . 24 B 3 ASN middle . . 25 B 4 GLN middle . . 26 B 5 HIS middle . . 27 B 6 LEU middle . . 28 B 7 CYS middle -HG . 29 B 8 GLY middle . false 30 B 9 SER middle . . 31 B 10 HIS middle . . 32 B 11 LEU middle . . 33 B 12 VAL middle . . 34 B 13 GLU middle . . 35 B 14 ALA middle . . 36 B 15 LEU middle . . 37 B 16 TYR middle . . 38 B 17 LEU middle . . 39 B 18 VAL middle . . 40 B 19 CYS middle -HG . 41 B 20 GLY middle . false 42 B 21 GLU middle . . 43 B 22 ARG middle . . 44 B 23 GLY middle . false 45 B 24 PHE middle . . 46 B 25 PHE middle . . 47 B 26 TYR middle . . 48 B 27 THR middle . . 49 B 28 PRO middle . false 50 B 29 LYS middle . . 51 B 30 ALA end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 1 GLY HA2 H 1 4.02 0.015 A 1 GLY HA3 H 1 4.02 0.015 A 1 GLY CA C 13 43.46 0.1 A 2 ILE H H 1 8.87 0.015 A 2 ILE HA H 1 3.85 0.015 A 2 ILE HB H 1 1.1 0.015 A 2 ILE HD1% H 1 0.51 0.015 A 2 ILE HG12 H 1 1.23 0.015 A 2 ILE HG13 H 1 1.23 0.015 A 2 ILE HG2% H 1 0.72 0.015 A 2 ILE CA C 13 57.42 0.1 A 2 ILE CB C 13 41.29 0.1 A 2 ILE CD1 C 13 14.97 0.1 A 2 ILE CG1 C 13 25.87 0.1 A 2 ILE CG2 C 13 18.60 0.1 A 3 VAL H H 1 8.4 0.015 A 3 VAL HA H 1 3.63 0.015 A 3 VAL HB H 1 2.07 0.015 A 3 VAL HGx% H 1 1.08 0.015 A 3 VAL HGy% H 1 1.0 0.015 A 3 VAL CA C 13 66.53 0.1 A 3 VAL CB C 13 27.77 0.1 A 3 VAL CGx C 13 21.35 0.1 A 3 VAL CGy C 13 21.50 0.1 A 4 GLU H H 1 8.17 0.015 A 4 GLU HA H 1 4.03 0.015 A 4 GLU HBy H 1 2.17 0.015 A 4 GLU HBx H 1 2.08 0.015 A 4 GLU HGy H 1 2.59 0.015 A 4 GLU HGx H 1 2.44 0.015 A 4 GLU CA C 13 57.57 0.1 A 4 GLU CB C 13 31.03 0.1 A 4 GLU CG C 13 34.22 0.1 A 5 GLN H H 1 8.32 0.015 A 5 GLN HA H 1 4.11 0.015 A 5 GLN HBy H 1 2.21 0.015 A 5 GLN HBx H 1 2.08 0.015 A 5 GLN HE2y H 1 7.13 0.015 A 5 GLN HE2x H 1 6.87 0.015 A 5 GLN HGy H 1 2.64 0.015 A 5 GLN HGx H 1 2.49 0.015 A 5 GLN CA C 13 61.86 0.1 A 5 GLN CB C 13 32.06 0.1 A 5 GLN CG C 13 36.96 0.1 A 6 CYS H H 1 8.41 0.015 A 6 CYS HA H 1 4.97 0.015 A 6 CYS HBy H 1 3.28 0.015 A 6 CYS HBx H 1 2.90 0.015 A 6 CYS CA C 13 54.38 0.1 A 6 CYS CB C 13 38.05 0.1 A 7 CYS H H 1 8.14 0.015 A 7 CYS HA H 1 4.89 0.015 A 7 CYS HBx H 1 2.80 0.015 A 7 CYS HBy H 1 3.06 0.015 A 7 CYS CA C 13 53.03 0.1 A 7 CYS CB C 13 38.07 0.1 A 8 ALA H H 1 8.25 0.015 A 8 ALA HA H 1 4.18 0.015 A 8 ALA HB% H 1 1.6 0.015 A 8 ALA CA C 13 58.33 0.1 A 8 ALA CB C 13 18.64 0.1 A 9 SER H H 1 7.02 0.015 A 9 SER HA H 1 4.78 0.015 A 9 SER HBy H 1 4.09 0.015 A 9 SER HBx H 1 3.9 0.015 A 9 SER CA C 13 55.63 0.1 A 9 SER CB C 13 69.74 0.1 A 10 VAL H H 1 7.87 0.015 A 10 VAL HA H 1 4.39 0.015 A 10 VAL HB H 1 1.74 0.015 A 10 VAL HGx% H 1 0.43 0.015 A 10 VAL HGy% H 1 0.63 0.015 A 10 VAL CA C 13 65.90 0.1 A 10 VAL CB C 13 29.04 0.1 A 10 VAL CGx C 13 20.28 0.1 A 10 VAL CGy C 13 21.24 0.1 A 11 CYS H H 1 8.53 0.015 A 11 CYS HA H 1 5.11 0.015 A 11 CYS HBx H 1 2.92 0.015 A 11 CYS HBy H 1 2.98 0.015 A 11 CYS CA C 13 53.62 0.1 A 11 CYS CB C 13 42.13 0.1 A 12 SER H H 1 8.79 0.015 A 12 SER HA H 1 4.59 0.015 A 12 SER HBx H 1 4.01 0.015 A 12 SER HBy H 1 4.31 0.015 A 12 SER CA C 13 53.90 0.1 A 12 SER CB C 13 69.99 0.1 A 13 LEU H H 1 8.68 0.015 A 13 LEU HA H 1 3.8 0.015 A 13 LEU HB2 H 1 1.39 0.015 A 13 LEU HB3 H 1 1.39 0.015 A 13 LEU HDx% H 1 0.75 0.015 A 13 LEU HDy% H 1 0.78 0.015 A 13 LEU HG H 1 1.30 0.015 A 13 LEU CA C 13 60.19 0.1 A 13 LEU CB C 13 41.27 0.1 A 13 LEU CDx C 13 24.12 0.1 A 13 LEU CDy C 13 24.90 0.1 A 13 LEU CG C 13 26.84 0.1 A 14 TYR H H 1 7.6 0.015 A 14 TYR HA H 1 4.15 0.015 A 14 TYR HBy H 1 2.99 0.015 A 14 TYR HBx H 1 2.96 0.015 A 14 TYR HDx H 1 7.08 0.015 A 14 TYR HDy H 1 7.08 0.015 A 14 TYR HEx H 1 6.87 0.015 A 14 TYR HEy H 1 6.87 0.015 A 14 TYR CA C 13 63.76 0.1 A 14 TYR CB C 13 41.24 0.1 A 14 TYR CDx C 13 132.83 0.1 A 14 TYR CDy C 13 132.83 0.1 A 14 TYR CEx C 13 118.41 0.1 A 14 TYR CEy C 13 118.41 0.1 A 15 GLN H H 1 8.05 0.015 A 15 GLN HA H 1 4.39 0.015 A 15 GLN HB2 H 1 2.12 0.015 A 15 GLN HB3 H 1 2.12 0.015 A 15 GLN HE2y H 1 7.0 0.015 A 15 GLN HE2x H 1 6.88 0.015 A 15 GLN HGx H 1 2.30 0.015 A 15 GLN HGy H 1 2.63 0.015 A 15 GLN CA C 13 52.77 0.1 A 15 GLN CB C 13 31.16 0.1 A 15 GLN CG C 13 34.48 0.1 A 16 LEU H H 1 8.14 0.015 A 16 LEU HA H 1 4.17 0.015 A 16 LEU HBx H 1 1.73 0.015 A 16 LEU HBy H 1 1.94 0.015 A 16 LEU HDx% H 1 0.78 0.015 A 16 LEU HDy% H 1 0.83 0.015 A 16 LEU HG H 1 1.6 0.015 A 16 LEU CA C 13 55.27 0.1 A 16 LEU CB C 13 42.22 0.1 A 16 LEU CDx C 13 25.91 0.1 A 16 LEU CDy C 13 25.98 0.1 A 16 LEU CG C 13 28.18 0.1 A 17 GLU H H 1 7.39 0.015 A 17 GLU HA H 1 4.49 0.015 A 17 GLU HB2 H 1 2.12 0.015 A 17 GLU HB3 H 1 2.12 0.015 A 17 GLU HGy H 1 2.59 0.015 A 17 GLU HGx H 1 2.44 0.015 A 17 GLU CA C 13 56.86 0.1 A 17 GLU CB C 13 27.93 0.1 A 17 GLU CG C 13 33.11 0.1 A 18 ASN H H 1 7.92 0.015 A 18 ASN HA H 1 4.5 0.015 A 18 ASN HBy H 1 2.97 0.015 A 18 ASN HBx H 1 2.43 0.015 A 18 ASN HD2x H 1 6.82 0.015 A 18 ASN HD2y H 1 7.31 0.015 A 18 ASN CA C 13 57.50 0.1 A 18 ASN CB C 13 38.31 0.1 A 19 TYR H H 1 7.89 0.015 A 19 TYR HA H 1 4.43 0.015 A 19 TYR HBy H 1 3.44 0.015 A 19 TYR HBx H 1 2.85 0.015 A 19 TYR HDx H 1 7.27 0.015 A 19 TYR HDy H 1 7.27 0.015 A 19 TYR HEx H 1 6.83 0.015 A 19 TYR HEy H 1 6.83 0.015 A 19 TYR CA C 13 57.16 0.1 A 19 TYR CB C 13 50.31 0.1 A 19 TYR CDx C 13 133.97 0.1 A 19 TYR CDy C 13 133.97 0.1 A 19 TYR CEx C 13 117.84 0.1 A 19 TYR CEy C 13 117.84 0.1 A 20 CYS H H 1 7.31 0.015 A 20 CYS HA H 1 5.45 0.015 A 20 CYS HBy H 1 3.44 0.015 A 20 CYS HBx H 1 2.85 0.015 A 20 CYS CA C 13 52.82 0.1 A 20 CYS CB C 13 42.10 0.1 A 21 ASN H H 1 8.22 0.015 A 21 ASN HA H 1 4.98 0.015 A 21 ASN HB2 H 1 2.71 0.015 A 21 ASN HB3 H 1 2.71 0.015 A 21 ASN HD2x H 1 6.81 0.015 A 21 ASN HD2y H 1 7.28 0.015 A 21 ASN CA C 13 52.46 0.1 A 21 ASN CB C 13 38.27 0.1 A 26 HIS H H 1 8.73 0.015 A 26 HIS HA H 1 4.48 0.015 A 26 HIS HBx H 1 3.28 0.015 A 26 HIS HBy H 1 3.55 0.015 A 26 HIS HD2 H 1 7.34 0.015 A 26 HIS HE1 H 1 8.57 0.015 A 26 HIS CA C 13 56.31 0.1 A 26 HIS CB C 13 28.24 0.1 A 26 HIS CD2 C 13 121.03 0.1 A 26 HIS CE1 C 13 136.14 0.1 A 27 LEU H H 1 9.17 0.015 A 27 LEU HA H 1 4.51 0.015 A 27 LEU HBy H 1 1.77 0.015 A 27 LEU HBx H 1 1.45 0.015 A 27 LEU HDx% H 1 0.7 0.015 A 27 LEU HDy% H 1 0.87 0.015 A 27 LEU HG H 1 1.55 0.015 A 27 LEU CA C 13 54.93 0.1 A 27 LEU CB C 13 45.85 0.1 A 27 LEU CDx C 13 23.60 0.1 A 27 LEU CDy C 13 26.17 0.1 A 27 LEU CG C 13 25.78 0.1 A 28 CYS H H 1 8.39 0.015 A 28 CYS HA H 1 5.04 0.015 A 28 CYS HBy H 1 3.25 0.015 A 28 CYS HBx H 1 2.96 0.015 A 28 CYS CA C 13 53.89 0.1 A 28 CYS CB C 13 43.87 0.1 A 29 GLY H H 1 9.74 0.015 A 29 GLY HAx H 1 3.84 0.015 A 29 GLY HAy H 1 3.94 0.015 A 29 GLY CA C 13 45.13 0.1 A 30 SER H H 1 8.9 0.015 A 30 SER HA H 1 4.58 0.015 A 30 SER HBx H 1 3.07 0.015 A 30 SER HBy H 1 3.61 0.015 A 30 SER CA C 13 58.84 0.1 A 30 SER CB C 13 65.67 0.1 A 31 HIS H H 1 7.78 0.015 A 31 HIS HA H 1 4.33 0.015 A 31 HIS HBy H 1 3.52 0.015 A 31 HIS HBx H 1 3.22 0.015 A 31 HIS HD2 H 1 7.44 0.015 A 31 HIS HE1 H 1 8.64 0.015 A 31 HIS CA C 13 60.79 0.1 A 31 HIS CB C 13 27.91 0.1 A 31 HIS CD2 C 13 120.34 0.1 A 31 HIS CE1 C 13 136.76 0.1 A 32 LEU H H 1 8.47 0.015 A 32 LEU HA H 1 4.09 0.015 A 32 LEU HBx H 1 1.17 0.015 A 32 LEU HBy H 1 1.92 0.015 A 32 LEU HDx% H 1 0.8 0.015 A 32 LEU HDy% H 1 0.85 0.015 A 32 LEU HG H 1 1.63 0.015 A 32 LEU CA C 13 56.43 0.1 A 32 LEU CB C 13 42.36 0.1 A 32 LEU CDx C 13 20.02 0.1 A 32 LEU CDy C 13 22.76 0.1 A 32 LEU CG C 13 28.00 0.1 A 33 VAL H H 1 6.86 0.015 A 33 VAL HA H 1 3.93 0.015 A 33 VAL HB H 1 1.89 0.015 A 33 VAL HGx% H 1 1.13 0.015 A 33 VAL HGy% H 1 1.25 0.015 A 33 VAL CA C 13 65.15 0.1 A 33 VAL CB C 13 26.83 0.1 A 33 VAL CGx C 13 22.25 0.1 A 33 VAL CGy C 13 23.06 0.1 A 34 GLU H H 1 7.52 0.015 A 34 GLU HA H 1 4.0 0.015 A 34 GLU HBy H 1 2.04 0.015 A 34 GLU HBx H 1 1.99 0.015 A 34 GLU HGx H 1 2.39 0.015 A 34 GLU HGy H 1 2.44 0.015 A 34 GLU CA C 13 63.99 0.1 A 34 GLU CB C 13 31.40 0.1 A 34 GLU CG C 13 35.33 0.1 A 35 ALA H H 1 8.2 0.015 A 35 ALA HA H 1 4.23 0.015 A 35 ALA HB% H 1 1.33 0.015 A 35 ALA CA C 13 54.68 0.1 A 35 ALA CB C 13 19.21 0.1 A 36 LEU H H 1 8.38 0.015 A 36 LEU HA H 1 4.06 0.015 A 36 LEU HBy H 1 1.91 0.015 A 36 LEU HBx H 1 1.45 0.015 A 36 LEU HDx% H 1 0.86 0.015 A 36 LEU HDy% H 1 0.84 0.015 A 36 LEU HG H 1 1.61 0.015 A 36 LEU CA C 13 58.49 0.1 A 36 LEU CB C 13 40.04 0.1 A 36 LEU CDy C 13 24.36 0.1 A 36 LEU CDx C 13 21.69 0.1 A 36 LEU CG C 13 27.86 0.1 A 37 TYR H H 1 8.61 0.015 A 37 TYR HA H 1 4.65 0.015 A 37 TYR HBy H 1 2.97 0.015 A 37 TYR HBx H 1 2.84 0.015 A 37 TYR HDx H 1 7.19 0.015 A 37 TYR HDy H 1 7.19 0.015 A 37 TYR HEx H 1 7.0 0.015 A 37 TYR HEy H 1 7.0 0.015 A 37 TYR CA C 13 56.59 0.1 A 37 TYR CB C 13 37.76 0.1 A 37 TYR CDx C 13 129.84 0.1 A 37 TYR CDy C 13 129.84 0.1 A 37 TYR CEx C 13 118.94 0.1 A 37 TYR CEy C 13 118.94 0.1 A 38 LEU H H 1 7.44 0.015 A 38 LEU HA H 1 4.12 0.015 A 38 LEU HBx H 1 1.44 0.015 A 38 LEU HBy H 1 2.03 0.015 A 38 LEU HDx% H 1 1.08 0.015 A 38 LEU HDy% H 1 1.0 0.015 A 38 LEU HG H 1 1.75 0.015 A 38 LEU CA C 13 61.87 0.1 A 38 LEU CB C 13 42.36 0.1 A 38 LEU CDx C 13 23.22 0.1 A 38 LEU CDy C 13 25.72 0.1 A 38 LEU CG C 13 26.86 0.1 A 39 VAL H H 1 8.56 0.015 A 39 VAL HA H 1 3.82 0.015 A 39 VAL HB H 1 1.92 0.015 A 39 VAL HGx% H 1 0.92 0.015 A 39 VAL HGy% H 1 0.99 0.015 A 39 VAL CA C 13 65.18 0.1 A 39 VAL CB C 13 27.33 0.1 A 39 VAL CGx C 13 20.37 0.1 A 39 VAL CGy C 13 23.04 0.1 A 40 CYS H H 1 8.6 0.015 A 40 CYS HA H 1 4.79 0.015 A 40 CYS HBx H 1 3.03 0.015 A 40 CYS HBy H 1 3.52 0.015 A 40 CYS CA C 13 54.68 0.1 A 40 CYS CB C 13 44.38 0.1 A 41 GLY H H 1 7.36 0.015 A 41 GLY HAy H 1 3.97 0.015 A 41 GLY HAx H 1 3.87 0.015 A 41 GLY CA C 13 47.11 0.1 A 42 GLU H H 1 9.15 0.015 A 42 GLU HA H 1 4.18 0.015 A 42 GLU HBx H 1 2.11 0.015 A 42 GLU HBy H 1 2.25 0.015 A 42 GLU HGx H 1 2.58 0.015 A 42 GLU HGy H 1 2.62 0.015 A 42 GLU CA C 13 60.21 0.1 A 42 GLU CB C 13 33.13 0.1 A 42 GLU CG C 13 32.19 0.1 A 43 ARG H H 1 8.04 0.015 A 43 ARG HA H 1 4.15 0.015 A 43 ARG HBx H 1 1.66 0.015 A 43 ARG HBy H 1 1.75 0.015 A 43 ARG HDx H 1 2.95 0.015 A 43 ARG HDy H 1 3.07 0.015 A 43 ARG HE H 1 7.45 0.015 A 43 ARG HGx H 1 1.39 0.015 A 43 ARG HGy H 1 1.43 0.015 A 43 ARG HH11 H 1 6.84 0.015 A 43 ARG HH12 H 1 6.84 0.015 A 43 ARG HH21 H 1 6.84 0.015 A 43 ARG HH22 H 1 6.84 0.015 A 43 ARG CA C 13 59.64 0.1 A 43 ARG CB C 13 33.47 0.1 A 43 ARG CD C 13 48.42 0.1 A 43 ARG CG C 13 26.85 0.1 A 44 GLY H H 1 7.42 0.015 A 44 GLY HAx H 1 3.83 0.015 A 44 GLY HAy H 1 3.93 0.015 A 44 GLY CA C 13 47.05 0.1 A 45 PHE HA H 1 4.26 0.015 A 45 PHE HB2 H 1 3.17 0.015 A 45 PHE HB3 H 1 3.17 0.015 A 45 PHE HDx H 1 7.24 0.015 A 45 PHE HDy H 1 7.24 0.015 A 45 PHE HEx H 1 7.37 0.015 A 45 PHE HEy H 1 7.37 0.015 A 45 PHE HZ H 1 7.29 0.015 A 45 PHE CA C 13 57.19 0.1 A 45 PHE CB C 13 39.71 0.1 A 45 PHE CDx C 13 132.58 0.1 A 45 PHE CDy C 13 132.58 0.1 A 45 PHE CEx C 13 130.61 0.1 A 45 PHE CEy C 13 130.61 0.1 A 45 PHE CZ C 13 131.22 0.1 A 45 PHE H H 1 8.71 0.015 A 46 PHE H H 1 8.58 0.015 A 46 PHE HA H 1 5.09 0.015 A 46 PHE HBy H 1 3.0 0.015 A 46 PHE HBx H 1 2.79 0.015 A 46 PHE HDx H 1 7.21 0.015 A 46 PHE HDy H 1 7.21 0.015 A 46 PHE HEx H 1 7.36 0.015 A 46 PHE HEy H 1 7.36 0.015 A 46 PHE HZ H 1 7.28 0.015 A 46 PHE CA C 13 55.82 0.1 A 46 PHE CB C 13 42.08 0.1 A 46 PHE CDx C 13 131.75 0.1 A 46 PHE CDy C 13 131.75 0.1 A 46 PHE CEx C 13 132.09 0.1 A 46 PHE CEy C 13 132.09 0.1 A 46 PHE CZ C 13 130.51 0.1 A 47 VAL H H 1 8.23 0.015 A 47 VAL HA H 1 4.08 0.015 A 47 VAL HB H 1 1.88 0.015 A 47 VAL HGx% H 1 0.83 0.015 A 47 VAL HGy% H 1 0.86 0.015 A 47 VAL CA C 13 65.93 0.1 A 47 VAL CB C 13 32.79 0.1 A 47 VAL CGx C 13 20.53 0.1 A 47 VAL CGy C 13 20.91 0.1 A 47 TYR HB2 H 1 2.99 0.015 A 47 TYR HB3 H 1 3.09 0.015 A 47 TYR HD1 H 1 7.0 0.015 A 47 TYR HD2 H 1 7.0 0.015 A 47 TYR HE1 H 1 6.62 0.015 A 47 TYR HE2 H 1 6.62 0.015 A 47 TYR CD1 C 13 132.58 0.1 A 47 TYR CD2 C 13 132.58 0.1 A 47 TYR CE1 C 13 117.73 0.1 A 47 TYR CE2 C 13 117.73 0.1 A 48 THR H H 1 7.14 0.015 A 48 THR HA H 1 5.0 0.015 A 48 THR HB H 1 3.85 0.015 A 48 THR HG2% H 1 1.0 0.015 A 48 THR CA C 13 55.79 0.1 A 48 THR CB C 13 71.43 0.1 A 48 THR CG2 C 13 18.92 0.1 A 49 ASN H H 1 8.56 0.015 A 49 ASN HA H 1 4.67 0.015 A 49 ASN HB2 H 1 2.71 0.015 A 49 ASN HB3 H 1 2.71 0.015 A 49 ASN HD2x H 1 6.92 0.015 A 49 ASN HD2y H 1 7.56 0.015 A 49 ASN CA C 13 53.15 0.1 A 49 ASN CB C 13 38.33 0.1 A 49 PRO HD2% H 1 3.58 0.015 A 49 PRO HD3 H 1 3.64 0.015 A 49 PRO HG2 H 1 1.9 0.015 A 49 PRO HG3 H 1 2.12 0.015 A 49 PRO CD C 13 57.43 0.1 A 49 PRO CG C 13 33.11 0.1 A 50 LYS H H 1 8.4 0.015 A 50 LYS HA H 1 4.35 0.015 A 50 LYS HBx H 1 1.80 0.015 A 50 LYS HBy H 1 1.93 0.015 A 50 LYS HD2 H 1 1.71 0.015 A 50 LYS HD3 H 1 1.71 0.015 A 50 LYS HE2 H 1 3.02 0.015 A 50 LYS HE3 H 1 3.02 0.015 A 50 LYS HGx H 1 1.45 0.015 A 50 LYS HGy H 1 1.53 0.015 A 50 LYS HZ1 H 1 7.57 0.015 A 50 LYS HZ2 H 1 7.57 0.015 A 50 LYS HZ3 H 1 7.57 0.015 A 50 LYS CA C 13 57.18 0.1 A 50 LYS CB C 13 32.61 0.1 A 50 LYS CD C 13 26.85 0.1 A 50 LYS CE C 13 45.13 0.1 A 50 LYS CG C 13 24.79 0.1 A 51 GLN H H 1 8.17 0.015 A 51 GLN HA H 1 4.03 0.015 A 51 GLN HBx H 1 1.99 0.015 A 51 GLN HBy H 1 2.07 0.015 A 51 GLN HE2y H 1 7.44 0.015 A 51 GLN HE2x H 1 6.84 0.015 A 51 GLN HGx H 1 2.12 0.015 A 51 GLN HGy H 1 2.22 0.015 A 51 GLN CA C 13 60.98 0.1 A 51 GLN CB C 13 33.95 0.1 A 51 GLN CG C 13 34.00 0.1 A 51 ALA HB1 H 1 1.46 0.015 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 2 ILE H A 1 GLY HA2 1.0 2.5 3.5 2 1 A 1 GLY HA3 A 2 ILE H 1.0 2.5 3.5 3 2 A 2 ILE H A 2 ILE HA 1.0 2.5 3.5 4 3 A 2 ILE HA A 3 VAL H 1.0 2.5 3.5 5 4 A 2 ILE H A 2 ILE HB 1.0 2.5 3.5 6 5 A 3 VAL H A 3 VAL HGx% 1.0 2.5 3.5 7 5 A 3 VAL H A 3 VAL HGy% 1.0 2.5 3.5 8 6 A 5 GLN H A 3 VAL HGx% 1.0 2.5 5.5 9 6 A 3 VAL HGy% A 5 GLN H 1.0 2.5 5.5 10 7 A 5 GLN H A 3 VAL HGx% 1.0 2.5 5.5 11 7 A 3 VAL HGy% A 5 GLN H 1.0 2.5 5.5 12 8 A 2 ILE H A 3 VAL H 1.0 2.5 3.5 13 9 A 4 GLU HA A 4 GLU H 1.0 2.5 3.5 14 10 A 4 GLU HA A 4 GLU H 1.0 2.5 3.5 15 11 A 5 GLN H A 4 GLU HA 1.0 2.5 3.5 16 12 A 4 GLU HA A 8 ALA H 1.0 2.5 5.0 17 13 A 4 GLU H A 6 CYS H 1.0 2.5 5.5 18 14 A 8 ALA H A 5 GLN HA 1.0 2.5 5.5 19 15 A 5 GLN H A 5 GLN HGx 1.0 2.5 5.5 20 16 A 5 GLN H A 5 GLN HGy 1.0 2.5 4.5 21 17 A 6 CYS H A 6 CYS HA 1.0 2.5 3.5 22 18 A 6 CYS HA A 7 CYS H 1.0 2.5 3.5 23 19 A 7 CYS H A 6 CYS HBx 1.0 2.5 4.5 24 20 A 7 CYS H A 7 CYS HA 1.0 2.5 3.5 25 21 A 8 ALA H A 7 CYS HA 1.0 2.5 3.5 26 22 A 7 CYS H A 7 CYS HBy 1.0 2.5 4.5 27 23 A 8 ALA H A 7 CYS HBy 1.0 2.5 5.5 28 24 A 7 CYS H A 7 CYS HBx 1.0 2.5 4.5 29 25 A 8 ALA HB% A 9 SER H 1.0 2.5 5.0 30 26 A 9 SER H A 9 SER HA 1.0 2.5 5.0 31 27 A 9 SER H A 9 SER HBy 1.0 2.5 4.5 32 28 A 8 ALA H A 9 SER H 1.0 2.5 3.5 33 29 A 9 SER H A 9 SER HBx 1.0 2.5 4.5 34 30 A 9 SER HBx A 10 VAL H 1.0 2.5 3.5 35 31 A 10 VAL H A 10 VAL HGy% 1.0 2.5 3.5 36 31 A 10 VAL H A 10 VAL HGx% 1.0 2.5 3.5 37 32 A 11 CYS HA A 11 CYS H 1.0 2.5 3.5 38 33 A 12 SER HA A 12 SER H 1.0 2.5 3.5 39 34 A 13 LEU HA A 13 LEU H 1.0 2.5 3.5 40 35 A 13 LEU H A 13 LEU HB2 1.0 2.5 3.5 41 35 A 13 LEU H A 13 LEU HB3 1.0 2.5 3.5 42 36 A 14 TYR HA A 14 TYR HE% 1.0 2.5 5.5 43 37 A 14 TYR HA A 14 TYR H 1.0 2.5 3.5 44 38 A 13 LEU H A 14 TYR H 1.0 2.5 3.5 45 39 A 15 GLN HA A 16 LEU H 1.0 2.5 3.5 46 40 A 15 GLN HA A 17 GLU H 1.0 2.5 5.5 47 41 A 19 TYR HEx A 15 GLN HE2y 1.0 2.5 3.5 48 41 A 19 TYR HEy A 15 GLN HE2x 1.0 2.5 3.5 49 41 A 19 TYR HEx A 15 GLN HE2x 1.0 2.5 3.5 50 41 A 19 TYR HEy A 15 GLN HE2y 1.0 2.5 3.5 51 42 A 15 GLN H A 15 GLN HGx 1.0 2.5 5.0 52 42 A 15 GLN HGy A 15 GLN H 1.0 2.5 5.0 53 43 A 16 LEU H A 16 LEU HA 1.0 2.5 3.5 54 44 A 17 GLU HA A 18 ASN HD2x 1.0 2.5 4.5 55 44 A 17 GLU HA A 18 ASN HD2y 1.0 2.5 4.5 56 45 A 17 GLU HA A 18 ASN HD2x 1.0 2.5 4.5 57 45 A 17 GLU HA A 18 ASN HD2y 1.0 2.5 4.5 58 46 A 17 GLU H A 17 GLU HB2 1.0 2.5 3.5 59 46 A 17 GLU H A 17 GLU HB3 1.0 2.5 3.5 60 47 A 14 TYR H A 17 GLU HGx 1.0 2.5 5.7 61 48 A 15 GLN HE2y A 17 GLU HGx 1.0 2.5 5.5 62 48 A 15 GLN HE2x A 17 GLU HGx 1.0 2.5 5.5 63 49 A 15 GLN HE2y A 17 GLU HGx 1.0 2.5 5.5 64 49 A 15 GLN HE2x A 17 GLU HGx 1.0 2.5 5.5 65 50 A 14 TYR H A 17 GLU HGy 1.0 2.5 5.5 66 51 A 17 GLU H A 19 TYR H 1.0 2.5 4.5 67 52 A 18 ASN HA A 18 ASN H 1.0 2.5 3.5 68 53 A 19 TYR H A 18 ASN HA 1.0 2.5 3.5 69 54 A 19 TYR H A 18 ASN HD2x 1.0 2.5 4.5 70 54 A 18 ASN HD2y A 19 TYR H 1.0 2.5 4.5 71 55 A 19 TYR HA A 19 TYR HEx 1.0 2.5 5.5 72 55 A 19 TYR HA A 19 TYR HEy 1.0 2.5 5.5 73 56 A 19 TYR H A 19 TYR HA 1.0 2.5 3.5 74 57 A 19 TYR HEx A 19 TYR HBy 1.0 2.5 5.0 75 57 A 19 TYR HEy A 19 TYR HBy 1.0 2.5 5.0 76 57 A 19 TYR HBx A 19 TYR HEy 1.0 2.5 5.0 77 57 A 19 TYR HBx A 19 TYR HEx 1.0 2.5 5.0 78 58 A 19 TYR H A 19 TYR HBy 1.0 2.5 3.5 79 58 A 19 TYR H A 19 TYR HBx 1.0 2.5 3.5 80 59 A 19 TYR H A 19 TYR HBy 1.0 2.5 3.5 81 59 A 19 TYR H A 19 TYR HBx 1.0 2.5 3.5 82 60 A 19 TYR H A 19 TYR HD% 1.0 2.5 3.5 83 61 A 20 CYS HA A 21 ASN H 1.0 2.5 3.5 84 62 A 21 ASN H A 21 ASN HA 1.0 2.5 3.5 85 63 A 10 VAL H A 10 VAL HA 1.0 2.5 3.5 86 64 A 2 ILE H A 2 ILE HD1% 1.0 3.5 5.5 87 65 A 2 ILE H A 2 ILE HG12 1.0 3.5 4.5 88 65 A 2 ILE H A 2 ILE HG2% 1.0 3.5 4.5 89 65 A 2 ILE H A 2 ILE HG13 1.0 3.5 4.5 90 66 A 16 LEU HA A 18 ASN HD2x 1.0 3.5 4.5 91 66 A 16 LEU HA A 18 ASN HD2y 1.0 3.5 4.5 92 67 A 19 TYR H A 17 GLU HGx 1.0 3.5 5.5 93 67 A 19 TYR H A 17 GLU HGy 1.0 3.5 5.5 94 68 A 17 GLU HGy A 15 GLN HE2y 1.0 3.5 5.5 95 68 A 15 GLN HE2x A 17 GLU HGx 1.0 3.5 5.5 96 68 A 17 GLU HGy A 15 GLN HE2x 1.0 3.5 5.5 97 68 A 15 GLN HE2y A 17 GLU HGx 1.0 3.5 5.5 98 69 A 4 GLU HA A 6 CYS H 1.0 3.5 5.5 99 70 A 19 TYR HEx A 19 TYR HEy 1.0 3.5 4.5 100 71 A 2 ILE H A 2 ILE HG12 1.0 1.5 4.5 101 71 A 2 ILE H A 2 ILE HG2% 1.0 1.5 4.5 102 71 A 2 ILE H A 2 ILE HG13 1.0 1.5 4.5 103 72 A 3 VAL H A 2 ILE HG12 1.0 1.5 2.5 104 72 A 3 VAL H A 2 ILE HG2% 1.0 1.5 2.5 105 72 A 3 VAL H A 2 ILE HG13 1.0 1.5 2.5 106 73 A 3 VAL H A 3 VAL HA 1.0 1.5 2.5 107 74 A 4 GLU H A 3 VAL HGx% 1.0 1.5 5.0 108 74 A 3 VAL HGy% A 4 GLU H 1.0 1.5 5.0 109 75 A 3 VAL H A 3 VAL HGx% 1.0 1.5 4.0 110 75 A 3 VAL H A 3 VAL HGy% 1.0 1.5 4.0 111 76 A 5 GLN H A 5 GLN HA 1.0 1.5 2.5 112 77 A 6 CYS H A 5 GLN HA 1.0 1.5 4.0 113 78 A 5 GLN HA A 7 CYS H 1.0 1.5 5.5 114 79 A 5 GLN H A 5 GLN HBx 1.0 1.5 4.0 115 80 A 5 GLN H A 5 GLN HBy 1.0 1.5 2.5 116 81 A 8 ALA H A 8 ALA HA 1.0 1.5 2.5 117 82 A 7 CYS H A 8 ALA HB% 1.0 1.5 5.5 118 83 A 9 SER HA A 10 VAL H 1.0 1.5 4.0 119 84 A 9 SER HBy A 10 VAL H 1.0 1.5 4.5 120 85 A 10 VAL H A 10 VAL HB 1.0 1.5 3.5 121 86 A 10 VAL H A 10 VAL HGy% 1.0 1.5 4.0 122 86 A 10 VAL H A 10 VAL HGx% 1.0 1.5 4.0 123 87 A 11 CYS HA A 12 SER H 1.0 1.5 2.5 124 88 A 12 SER HA A 13 LEU H 1.0 1.5 2.5 125 89 A 12 SER HA A 14 TYR H 1.0 1.5 5.5 126 90 A 13 LEU H A 13 LEU HDx% 1.0 1.5 4.5 127 90 A 13 LEU H A 13 LEU HDy% 1.0 1.5 4.5 128 91 A 13 LEU H A 13 LEU HG 1.0 1.5 2.5 129 92 A 13 LEU HG A 14 TYR HD% 1.0 1.5 5.5 130 93 A 14 TYR H A 13 LEU HG 1.0 1.5 2.5 131 94 A 14 TYR HA A 14 TYR HD% 1.0 1.5 2.5 132 95 A 15 GLN HA A 15 GLN H 1.0 1.5 2.5 133 96 A 15 GLN HA A 18 ASN HD2x 1.0 1.5 5.5 134 96 A 15 GLN HA A 18 ASN HD2y 1.0 1.5 5.5 135 97 A 15 GLN H A 15 GLN HB2 1.0 1.5 4.0 136 97 A 15 GLN H A 15 GLN HB3 1.0 1.5 4.0 137 98 A 15 GLN HE2y A 15 GLN HE2x 1.0 1.5 2.5 138 99 A 15 GLN HE2y A 15 GLN HE2x 1.0 1.5 2.5 139 100 A 16 LEU H A 16 LEU HA 1.0 1.5 2.5 140 101 A 16 LEU HA A 19 TYR HD% 1.0 1.5 4.5 141 102 A 16 LEU HA A 19 TYR HEx 1.0 1.5 5.5 142 102 A 16 LEU HA A 19 TYR HEy 1.0 1.5 5.5 143 103 A 17 GLU H A 17 GLU HA 1.0 1.5 2.5 144 104 A 17 GLU H A 17 GLU HGx 1.0 1.5 2.5 145 105 A 17 GLU HGy A 15 GLN HE2y 1.0 1.5 5.5 146 105 A 17 GLU HGy A 15 GLN HE2x 1.0 1.5 5.5 147 106 A 17 GLU H A 17 GLU HGy 1.0 1.5 2.5 148 107 A 17 GLU H A 15 GLN H 1.0 1.5 5.0 149 108 A 19 TYR HA A 19 TYR HD% 1.0 1.5 4.0 150 109 A 19 TYR HD% A 19 TYR HBy 1.0 1.5 2.5 151 109 A 19 TYR HBx A 19 TYR HD% 1.0 1.5 2.5 152 110 A 19 TYR HD% A 19 TYR HBy 1.0 1.5 2.5 153 110 A 19 TYR HBx A 19 TYR HD% 1.0 1.5 2.5 154 111 A 19 TYR HD% A 19 TYR HEx 1.0 1.5 2.5 155 111 A 19 TYR HD% A 19 TYR HEy 1.0 1.5 2.5 156 112 A 20 CYS HA A 20 CYS H 1.0 1.5 2.5 157 113 B 1 PHE HA B 1 PHE HE% 1.0 2.5 5.0 158 114 B 1 PHE HE% B 1 PHE HBx 1.0 2.5 5.0 159 114 B 1 PHE HE% B 1 PHE HBy 1.0 2.5 5.0 160 115 B 2 VAL H B 1 PHE HBx 1.0 2.5 5.5 161 115 B 1 PHE HBy B 2 VAL H 1.0 2.5 5.5 162 116 B 2 VAL H B 2 VAL HB 1.0 2.5 3.5 163 117 B 2 VAL HB B 3 ASN H 1.0 1.5 5.5 164 118 B 2 VAL H B 3 ASN H 1.0 2.5 5.5 165 119 B 3 ASN HA B 3 ASN HD2x 1.0 2.5 4.5 166 119 B 3 ASN HA B 3 ASN HD2y 1.0 2.5 4.5 167 120 B 3 ASN HA B 3 ASN HD2x 1.0 2.5 4.5 168 120 B 3 ASN HA B 3 ASN HD2y 1.0 2.5 4.5 169 121 B 3 ASN H B 3 ASN HA 1.0 2.5 3.5 170 122 B 3 ASN HA B 5 HIS H 1.0 2.5 5.5 171 123 B 4 GLN H B 3 ASN HBx 1.0 2.5 5.0 172 123 B 3 ASN HBy B 4 GLN H 1.0 2.5 5.0 173 124 B 4 GLN H B 4 GLN HA 1.0 2.5 3.5 174 125 B 4 GLN HBy B 4 GLN HE2x 1.0 2.5 3.5 175 125 B 4 GLN HBy B 4 GLN HE2y 1.0 2.5 3.5 176 126 B 4 GLN H B 4 GLN HBy 1.0 2.5 3.5 177 127 B 5 HIS H B 4 GLN HBy 1.0 2.5 3.5 178 128 B 4 GLN HBy B 13 GLU HGy 1.0 2.5 5.0 179 129 B 4 GLN H B 4 GLN HBx 1.0 2.5 3.5 180 130 B 4 GLN HGy B 4 GLN HE2x 1.0 2.5 3.5 181 130 B 4 GLN HGy B 4 GLN HE2y 1.0 2.5 3.5 182 131 B 4 GLN H B 4 GLN HGy 1.0 2.5 5.0 183 132 B 4 GLN HGx B 4 GLN HE2x 1.0 2.5 3.5 184 132 B 4 GLN HGx B 4 GLN HE2y 1.0 2.5 3.5 185 133 B 4 GLN HGx B 4 GLN HE2x 1.0 2.5 3.5 186 133 B 4 GLN HGx B 4 GLN HE2y 1.0 2.5 3.5 187 134 B 4 GLN H B 4 GLN HGx 1.0 2.5 5.0 188 135 B 5 HIS H B 4 GLN HGx 1.0 2.5 3.5 189 136 B 5 HIS H B 4 GLN H 1.0 1.5 3.5 190 137 B 5 HIS HA B 5 HIS HD2 1.0 2.5 3.5 191 137 B 5 HIS HA B 5 HIS HD1 1.0 2.5 3.5 192 138 B 5 HIS HBx B 5 HIS HD2 1.0 2.5 3.5 193 138 B 5 HIS HD1 B 5 HIS HBx 1.0 2.5 3.5 194 139 B 5 HIS HBx B 6 LEU H 1.0 2.5 3.5 195 140 B 5 HIS HBx B 13 GLU H 1.0 2.5 4.5 196 141 B 5 HIS HBy B 5 HIS HD2 1.0 2.5 3.5 197 141 B 5 HIS HD1 B 5 HIS HBy 1.0 2.5 3.5 198 142 B 6 LEU H B 5 HIS HBy 1.0 1.5 5.0 199 143 B 5 HIS H B 5 HIS HBx 1.0 2.5 3.5 200 144 B 6 LEU HA B 10 HIS HD2 1.0 2.5 3.5 201 144 B 6 LEU HA B 10 HIS HD1 1.0 2.5 3.5 202 145 B 7 CYS HBy B 7 CYS H 1.0 2.5 5.0 203 146 B 7 CYS H B 7 CYS HA 1.0 2.5 3.5 204 147 B 7 CYS HBy B 8 GLY H 1.0 2.5 3.5 205 148 B 10 HIS H B 8 GLY HAx 1.0 2.5 5.0 206 148 B 8 GLY HAy B 10 HIS H 1.0 2.5 5.0 207 149 B 9 SER HBy B 9 SER H 1.0 2.5 3.5 208 150 B 13 GLU H B 9 SER HBy 1.0 2.5 5.0 209 151 B 9 SER H B 9 SER HBx 1.0 2.5 3.5 210 152 B 9 SER H B 9 SER HBx 1.0 2.5 3.5 211 153 B 10 HIS HA B 10 HIS HD2 1.0 2.5 3.5 212 153 B 10 HIS HD1 B 10 HIS HA 1.0 2.5 3.5 213 154 B 10 HIS H B 10 HIS HA 1.0 2.5 3.5 214 155 B 10 HIS HA B 12 VAL H 1.0 2.5 4.5 215 156 B 13 GLU H B 10 HIS HA 1.0 2.5 5.0 216 157 B 10 HIS H B 10 HIS HD2 1.0 2.5 5.0 217 157 B 10 HIS HD1 B 10 HIS H 1.0 2.5 5.0 218 158 B 10 HIS H B 9 SER H 1.0 2.5 3.5 219 159 B 10 HIS HBx B 10 HIS HD2 1.0 2.5 3.5 220 159 B 10 HIS HD1 B 10 HIS HBx 1.0 2.5 3.5 221 160 B 10 HIS H B 11 LEU HBx 1.0 2.5 4.5 222 160 B 10 HIS H B 11 LEU HBy 1.0 2.5 4.5 223 161 B 12 VAL H B 12 VAL HG11 1.0 2.5 3.5 224 161 B 12 VAL H B 12 VAL HG21 1.0 2.5 3.5 225 162 B 10 HIS H B 12 VAL H 1.0 2.5 3.5 226 163 B 13 GLU H B 13 GLU HA 1.0 2.5 3.5 227 164 B 13 GLU HA B 16 TYR HD% 1.0 2.5 5.0 228 165 B 13 GLU HA B 16 TYR HE% 1.0 2.5 5.0 229 166 B 16 TYR HE% B 13 GLU HBx 1.0 2.5 5.5 230 167 B 13 GLU H B 13 GLU HGy 1.0 2.5 3.5 231 168 B 13 GLU H B 13 GLU HGx 1.0 2.5 4.5 232 169 B 16 TYR HE% B 14 ALA HA 1.0 2.5 5.5 233 170 B 16 TYR HE% B 17 LEU HA 1.0 2.5 5.5 234 171 B 18 VAL H B 17 LEU HBx 1.0 2.5 3.5 235 171 B 17 LEU HBy B 18 VAL H 1.0 2.5 3.5 236 172 B 18 VAL HB B 19 CYS H 1.0 2.5 3.5 237 173 B 19 CYS H B 19 CYS HA 1.0 2.5 3.5 238 174 B 19 CYS HA B 20 GLY H 1.0 2.5 3.5 239 175 B 21 GLU H B 20 GLY HAx 1.0 2.5 3.5 240 175 B 20 GLY HAy B 21 GLU H 1.0 2.5 3.5 241 176 B 22 ARG H B 20 GLY HAx 1.0 2.5 5.0 242 176 B 20 GLY HAy B 22 ARG H 1.0 2.5 5.0 243 177 B 20 GLY H B 21 GLU HA 1.0 2.5 5.0 244 178 B 21 GLU H B 21 GLU HA 1.0 2.5 3.5 245 179 B 21 GLU H B 21 GLU HBy 1.0 2.5 3.5 246 180 B 21 GLU H B 21 GLU HBx 1.0 2.5 3.5 247 181 B 21 GLU H B 21 GLU HGy 1.0 1.5 3.5 248 182 B 21 GLU H B 21 GLU HGx 1.0 2.5 3.5 249 183 B 21 GLU H B 22 ARG H 1.0 2.5 3.5 250 184 B 24 PHE H B 23 GLY HAx 1.0 2.5 3.5 251 184 B 23 GLY HAy B 24 PHE H 1.0 2.5 3.5 252 185 B 23 GLY H B 23 GLY HAx 1.0 2.5 3.5 253 185 B 23 GLY HAy B 23 GLY H 1.0 2.5 3.5 254 186 B 24 PHE HA B 24 PHE HD% 1.0 2.5 3.5 255 187 B 24 PHE H B 24 PHE HA 1.0 2.5 3.5 256 188 B 24 PHE HA B 25 PHE H 1.0 2.5 3.5 257 189 B 24 PHE HA B 26 TYR H 1.0 2.5 5.5 258 190 B 25 PHE H B 24 PHE HBx 1.0 2.5 5.0 259 190 B 25 PHE H B 24 PHE HBy 1.0 2.5 5.0 260 191 B 26 TYR H B 24 PHE HBx 1.0 2.5 5.5 261 191 B 26 TYR H B 24 PHE HBy 1.0 2.5 5.5 262 192 B 25 PHE H B 24 PHE HZ 1.0 2.5 4.5 263 193 B 25 PHE HA B 25 PHE HE% 1.0 2.5 5.5 264 194 B 25 PHE H B 25 PHE HA 1.0 2.5 3.5 265 195 B 25 PHE H B 25 PHE HBy 1.0 2.5 3.5 266 196 B 26 TYR H B 25 PHE HBy 1.0 2.5 4.5 267 197 B 25 PHE H B 25 PHE HD% 1.0 2.5 5.0 268 198 B 26 TYR HA B 26 TYR HD% 1.0 2.5 3.5 269 199 B 26 TYR H B 26 TYR HA 1.0 2.5 3.5 270 200 B 24 PHE HE% B 26 TYR HBx 1.0 2.5 3.5 271 200 B 26 TYR HBy B 24 PHE HE% 1.0 2.5 3.5 272 201 B 27 THR HA B 26 TYR HEx 1.0 2.5 5.0 273 201 B 27 THR HA B 26 TYR HEy 1.0 2.5 5.0 274 202 B 26 TYR H B 28 PRO HBx 1.0 2.5 5.5 275 202 B 26 TYR H B 28 PRO HBy 1.0 2.5 5.5 276 203 B 30 ALA H B 28 PRO HBx 1.0 2.5 5.0 277 203 B 28 PRO HBy B 30 ALA H 1.0 2.5 5.0 278 204 B 30 ALA H B 29 LYS HA 1.0 2.5 3.5 279 205 B 30 ALA H B 29 LYS HBx 1.0 2.5 5.0 280 206 B 29 LYS HGx B 29 LYS H 1.0 2.5 3.5 281 207 B 30 ALA H B 30 ALA HA 1.0 2.5 3.5 282 208 B 30 ALA H B 29 LYS H 1.0 2.5 3.5 283 209 B 2 VAL H B 2 VAL HA 1.0 2.5 4.5 284 210 B 2 VAL H B 2 VAL HG11 1.0 3.5 4.5 285 210 B 2 VAL H B 2 VAL HG21 1.0 3.5 4.5 286 211 B 5 HIS HBx B 4 GLN HE2x 1.0 3.5 5.5 287 211 B 5 HIS HBx B 4 GLN HE2y 1.0 3.5 5.5 288 212 B 5 HIS H B 6 LEU H 1.0 3.5 4.5 289 213 B 6 LEU H B 6 LEU HBx 1.0 1.5 4.5 290 213 B 6 LEU H B 6 LEU HBy 1.0 1.5 4.5 291 214 B 6 LEU H B 6 LEU HD11 1.0 3.5 5.5 292 214 B 6 LEU H B 6 LEU HD21 1.0 3.5 5.5 293 215 B 6 LEU H B 6 LEU HG 1.0 3.5 5.5 294 216 B 9 SER H B 9 SER HA 1.0 2.0 4.5 295 217 B 8 GLY H B 9 SER H 1.0 2.5 4.5 296 218 B 11 LEU H B 11 LEU HD11 1.0 3.5 4.5 297 218 B 11 LEU HD21 B 11 LEU H 1.0 3.5 4.5 298 219 B 16 TYR HA B 17 LEU H 1.0 3.5 4.5 299 220 B 17 LEU H B 16 TYR H 1.0 2.5 4.5 300 221 B 18 VAL H B 20 GLY H 1.0 3.5 4.5 301 222 B 22 ARG HE B 22 ARG HDx 1.0 2.5 4.5 302 222 B 22 ARG HDy B 22 ARG HE 1.0 2.5 4.5 303 223 B 24 PHE H B 24 PHE HA 1.0 2.5 4.5 304 224 B 24 PHE H B 24 PHE HBx 1.0 3.5 4.5 305 224 B 24 PHE H B 24 PHE HBy 1.0 3.5 4.5 306 225 B 26 TYR H B 24 PHE HZ 1.0 2.5 4.5 307 226 B 24 PHE HD% B 25 PHE HA 1.0 3.5 4.5 308 227 B 27 THR HA B 27 THR H 1.0 2.5 4.5 309 228 B 29 LYS H B 28 PRO HBx 1.0 3.5 4.5 310 228 B 28 PRO HBy B 29 LYS H 1.0 3.5 4.5 311 229 B 30 ALA H B 30 ALA HA 1.0 2.5 4.5 312 230 B 30 ALA H B 30 ALA HB1 1.0 3.5 4.5 313 231 B 5 HIS H B 4 GLN HBx 1.0 3.5 4.5 314 232 B 5 HIS H B 4 GLN HGy 1.0 2.5 5.5 315 233 B 7 CYS HA B 9 SER H 1.0 4.5 5.5 316 234 B 24 PHE HZ B 22 ARG HBx 1.0 4.5 5.5 317 234 B 24 PHE HZ B 22 ARG HBy 1.0 4.5 5.5 318 235 B 29 LYS H B 29 LYS HGy 1.0 3.5 5.5 319 236 B 5 HIS HA B 6 LEU H 1.0 1.5 4.0 320 237 B 6 LEU H B 6 LEU HA 1.0 1.5 2.5 321 238 B 1 PHE HA B 1 PHE HD% 1.0 1.5 2.5 322 239 B 1 PHE HA B 2 VAL H 1.0 1.5 3.5 323 240 B 1 PHE HD% B 1 PHE HBx 1.0 1.5 2.5 324 240 B 1 PHE HBy B 1 PHE HD% 1.0 1.5 2.5 325 241 B 3 ASN H B 2 VAL HA 1.0 1.5 4.0 326 242 B 3 ASN HD2x B 3 ASN HBx 1.0 1.5 4.0 327 242 B 3 ASN HBy B 3 ASN HD2x 1.0 1.5 4.0 328 243 B 3 ASN HD2y B 3 ASN HBx 1.0 1.5 4.0 329 243 B 3 ASN HBy B 3 ASN HD2y 1.0 1.5 4.0 330 244 B 3 ASN H B 3 ASN HBx 1.0 1.5 3.5 331 244 B 3 ASN H B 3 ASN HBy 1.0 1.5 3.5 332 245 B 3 ASN HA B 4 GLN H 1.0 1.5 3.5 333 246 B 3 ASN HD2x B 3 ASN HD2y 1.0 1.5 2.5 334 247 B 4 GLN HE2x B 4 GLN HE2y 1.0 1.5 2.5 335 248 B 5 HIS H B 5 HIS HA 1.0 1.5 2.5 336 249 B 5 HIS H B 5 HIS HBy 1.0 1.5 2.5 337 250 B 6 LEU HA B 7 CYS H 1.0 1.5 4.0 338 251 B 7 CYS H B 6 LEU HD11 1.0 1.5 4.0 339 251 B 7 CYS H B 6 LEU HD21 1.0 1.5 4.0 340 252 B 7 CYS H B 7 CYS HBx 1.0 1.5 4.0 341 253 B 7 CYS HA B 8 GLY H 1.0 1.5 3.5 342 254 B 8 GLY H B 8 GLY HAx 1.0 1.5 2.5 343 254 B 8 GLY H B 8 GLY HAy 1.0 1.5 2.5 344 255 B 9 SER H B 8 GLY HAx 1.0 1.5 3.5 345 255 B 8 GLY HAy B 9 SER H 1.0 1.5 3.5 346 256 B 8 GLY H B 8 GLY HAx 1.0 1.5 2.5 347 256 B 8 GLY H B 8 GLY HAy 1.0 1.5 2.5 348 257 B 9 SER H B 8 GLY HAx 1.0 1.5 3.5 349 257 B 8 GLY HAy B 9 SER H 1.0 1.5 3.5 350 258 B 10 HIS HA B 11 LEU H 1.0 1.5 4.0 351 259 B 10 HIS HBy B 10 HIS HD2 1.0 1.5 2.5 352 259 B 10 HIS HD1 B 10 HIS HBy 1.0 1.5 2.5 353 260 B 10 HIS H B 10 HIS HBy 1.0 1.5 4.0 354 261 B 10 HIS H B 10 HIS HBx 1.0 1.5 2.5 355 262 B 12 VAL H B 12 VAL HA 1.0 1.5 2.5 356 263 B 12 VAL H B 12 VAL HG11 1.0 1.5 3.5 357 263 B 12 VAL H B 12 VAL HG21 1.0 1.5 3.5 358 264 B 13 GLU HBx B 4 GLN HE2x 1.0 1.5 4.5 359 264 B 13 GLU HBx B 4 GLN HE2y 1.0 1.5 4.5 360 265 B 13 GLU HBx B 13 GLU HGy 1.0 1.5 2.5 361 265 B 13 GLU HBx B 13 GLU HGx 1.0 1.5 2.5 362 266 B 13 GLU H B 13 GLU HBx 1.0 1.5 2.5 363 267 B 13 GLU H B 13 GLU HGy 1.0 1.5 4.0 364 268 B 13 GLU H B 13 GLU HGx 1.0 1.5 5.0 365 269 B 16 TYR HD% B 14 ALA HA 1.0 1.5 5.5 366 270 B 16 TYR HE% B 14 ALA HA 1.0 1.5 5.5 367 271 B 14 ALA HB1 B 14 ALA H 1.0 1.5 2.5 368 272 B 16 TYR H B 15 LEU HA 1.0 1.5 4.0 369 273 B 16 TYR HA B 16 TYR H 1.0 1.5 2.5 370 274 B 16 TYR H B 16 TYR HBx 1.0 1.5 3.5 371 274 B 16 TYR H B 16 TYR HBy 1.0 1.5 3.5 372 275 B 16 TYR HD% B 16 TYR HE% 1.0 1.5 2.5 373 276 B 17 LEU HA B 17 LEU H 1.0 1.5 2.5 374 277 B 18 VAL H B 18 VAL HA 1.0 1.5 2.5 375 278 B 18 VAL H B 18 VAL HG11 1.0 1.5 4.0 376 278 B 18 VAL H B 18 VAL HG21 1.0 1.5 4.0 377 279 B 20 GLY H B 20 GLY HAx 1.0 1.5 2.5 378 279 B 20 GLY H B 20 GLY HAy 1.0 1.5 2.5 379 280 B 20 GLY H B 20 GLY HAx 1.0 1.5 2.5 380 280 B 20 GLY H B 20 GLY HAy 1.0 1.5 2.5 381 281 B 21 GLU H B 20 GLY HAx 1.0 1.5 3.5 382 281 B 20 GLY HAy B 21 GLU H 1.0 1.5 3.5 383 282 B 21 GLU HA B 23 GLY H 1.0 1.5 5.5 384 283 B 22 ARG H B 21 GLU HBx 1.0 1.5 5.0 385 284 B 22 ARG H B 22 ARG HA 1.0 1.5 2.5 386 285 B 22 ARG HE B 22 ARG HBx 1.0 1.5 2.5 387 285 B 22 ARG HE B 22 ARG HBy 1.0 1.5 2.5 388 286 B 24 PHE HD% B 22 ARG HBx 1.0 1.5 4.5 389 286 B 24 PHE HD% B 22 ARG HBy 1.0 1.5 4.5 390 287 B 24 PHE HZ B 22 ARG HE 1.0 1.5 4.0 391 288 B 22 ARG HE B 22 ARG HGx 1.0 1.5 3.5 392 288 B 22 ARG HE B 22 ARG HGy 1.0 1.5 3.5 393 289 B 23 GLY H B 23 GLY HAx 1.0 1.5 2.5 394 289 B 23 GLY HAy B 23 GLY H 1.0 1.5 2.5 395 290 B 24 PHE HZ B 24 PHE HBx 1.0 1.5 5.5 396 290 B 24 PHE HBy B 24 PHE HZ 1.0 1.5 5.5 397 291 B 24 PHE HD% B 24 PHE HE% 1.0 1.5 2.5 398 292 B 24 PHE HD% B 24 PHE HZ 1.0 1.5 4.0 399 293 B 25 PHE HA B 25 PHE HZ 1.0 1.5 5.5 400 294 B 26 TYR H B 25 PHE HA 1.0 1.5 4.0 401 295 B 24 PHE HD% B 26 TYR HBx 1.0 1.5 5.0 402 295 B 24 PHE HD% B 26 TYR HBy 1.0 1.5 5.0 403 296 B 26 TYR HD% B 26 TYR HEx 1.0 1.5 2.5 404 296 B 26 TYR HD% B 26 TYR HEy 1.0 1.5 2.5 405 297 B 26 TYR HEx B 26 TYR HEy 1.0 1.5 4.5 406 298 B 22 ARG HE B 28 PRO HBx 1.0 1.5 4.0 407 298 B 28 PRO HBy B 22 ARG HE 1.0 1.5 4.0 408 299 B 29 LYS HA B 29 LYS H 1.0 1.5 2.5 409 300 B 30 ALA H B 29 LYS HA 1.0 1.5 3.5 410 301 B 29 LYS H B 29 LYS HBy 1.0 1.5 4.5 411 302 B 19 CYS H B 29 LYS HBx 1.0 1.5 5.5 412 303 B 29 LYS HBx B 29 LYS H 1.0 1.5 4.5 413 304 B 29 LYS HZ% B 29 LYS HEx 1.0 1.5 2.5 414 304 B 29 LYS HEy B 29 LYS HZ% 1.0 1.5 2.5 415 305 A 10 VAL HGx% B 5 HIS H 1.0 2.5 5.5 416 306 A 12 SER HA B 1 PHE HE% 1.0 2.5 6.0 417 307 A 15 GLN HE2y B 13 GLU HA 1.0 2.5 5.5 418 307 A 15 GLN HE2x B 13 GLU HA 1.0 2.5 5.5 419 308 A 12 SER H B 13 GLU HGx 1.0 2.5 4.5 420 309 A 19 TYR HEx B 17 LEU HA 1.0 2.5 6.0 421 309 A 19 TYR HEy B 17 LEU HA 1.0 2.5 6.0 422 310 A 20 CYS H B 19 CYS HA 1.0 2.5 5.5 423 311 A 19 TYR HEx B 19 CYS HBx 1.0 2.5 5.6 424 311 A 19 TYR HEy B 19 CYS HBx 1.0 2.5 5.6 425 312 A 19 TYR HEx B 20 GLY H 1.0 2.5 5.7 426 312 A 19 TYR HEy B 20 GLY H 1.0 2.5 5.7 427 313 B 2 VAL H A 3 VAL HGx% 1.0 3.5 4.5 428 313 A 3 VAL HGy% B 2 VAL H 1.0 3.5 4.5 429 314 B 2 VAL H A 3 VAL HGx% 1.0 3.5 4.5 430 314 A 3 VAL HGy% B 2 VAL H 1.0 3.5 4.5 431 315 A 12 SER HA B 1 PHE HD% 1.0 3.5 4.5 432 316 A 15 GLN HE2y B 13 GLU HA 1.0 3.5 5.5 433 316 A 15 GLN HE2x B 13 GLU HA 1.0 3.5 5.5 434 317 A 3 VAL H B 2 VAL H 1.0 1.5 5.5 435 318 B 2 VAL H A 3 VAL HB 1.0 1.5 4.5 436 319 B 1 PHE HE% A 3 VAL HGx% 1.0 1.5 4.5 437 319 A 3 VAL HGy% B 1 PHE HE% 1.0 1.5 4.5 438 320 A 19 TYR HEx B 17 LEU HD21 1.0 1.5 5.5 439 320 A 19 TYR HEx B 17 LEU HD11 1.0 1.5 5.5 440 320 A 19 TYR HEy B 17 LEU HD21 1.0 1.5 5.5 441 320 A 19 TYR HEy B 17 LEU HD11 1.0 1.5 5.5 stop_ save_