data_nef_c30069_5ji4 save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 30067 PDB 5JI4 stop_ 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 3 CYS SG 1 36 CYS SG 1 5 CYS SG 1 20 CYS SG 1 24 CYS SG 1 32 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 ALA start . . 2 A 2 PRO middle . false 3 A 3 CYS middle -HG . 4 A 4 GLU middle . . 5 A 5 CYS middle -HG . 6 A 6 ASP middle . . 7 A 7 VAL middle . . 8 A 8 ASN middle . . 9 A 9 GLY middle . false 10 A 10 GLU middle . . 11 A 11 THR middle . . 12 A 12 TYR middle . . 13 A 13 THR middle . . 14 A 14 VAL middle . . 15 A 15 SER middle . . 16 A 16 SER middle . . 17 A 17 SER middle . . 18 A 18 GLU middle . . 19 A 19 GLU middle . . 20 A 20 CYS middle -HG . 21 A 21 GLU middle . . 22 A 22 ARG middle . . 23 A 23 LEU middle . . 24 A 24 CYS middle -HG . 25 A 25 ARG middle . . 26 A 26 LYS middle . . 27 A 27 LEU middle . . 28 A 28 GLY middle . false 29 A 29 VAL middle . . 30 A 30 THR middle . . 31 A 31 ASN middle . . 32 A 32 CYS middle -HG . 33 A 33 ARG middle . . 34 A 34 VAL middle . . 35 A 35 HIS middle . . 36 A 36 CYS middle -HG . 37 A 37 GLY end . false stop_ save_ save_assigned_chemical_shifts_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chemical_shifts_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 ALA HA H 1 4.39 0.02 A 1 ALA HB% H 1 1.56 0.02 A 1 ALA CA C 13 50.9 0.2 A 1 ALA CB C 13 18.0 0.2 A 2 PRO HA H 1 4.65 0.02 A 2 PRO HBx H 1 2.30 0.02 A 2 PRO HBy H 1 2.30 0.02 A 2 PRO HDy H 1 3.72 0.02 A 2 PRO HDx H 1 3.66 0.02 A 2 PRO HGx H 1 2.03 0.02 A 2 PRO HGy H 1 2.08 0.02 A 2 PRO CA C 13 63.1 0.2 A 2 PRO CB C 13 32.2 0.2 A 2 PRO CD C 13 50.2 0.2 A 2 PRO CG C 13 27.4 0.2 A 3 CYS H H 1 8.52 0.02 A 3 CYS HBx H 1 2.54 0.02 A 3 CYS HBy H 1 2.95 0.02 A 3 CYS CA C 13 56.1 0.2 A 3 CYS CB C 13 41.6 0.2 A 3 CYS N N 15 117.1 0.2 A 4 GLU H H 1 8.75 0.02 A 4 GLU HA H 1 4.88 0.02 A 4 GLU HBy H 1 2.04 0.02 A 4 GLU HBx H 1 1.96 0.02 A 4 GLU HGy H 1 2.41 0.02 A 4 GLU HGx H 1 2.31 0.02 A 4 GLU CB C 13 32.1 0.2 A 4 GLU CG C 13 36.5 0.2 A 4 GLU N N 15 212.2 0.2 A 5 CYS H H 1 9.53 0.02 A 5 CYS HA H 1 5.31 0.02 A 5 CYS HBx H 1 2.60 0.02 A 5 CYS HBy H 1 3.11 0.02 A 5 CYS CA C 13 53.5 0.2 A 5 CYS CB C 13 39.2 0.2 A 5 CYS N N 15 126.2 0.2 A 6 ASP H H 1 9.39 0.02 A 6 ASP HA H 1 5.16 0.02 A 6 ASP HBy H 1 2.98 0.02 A 6 ASP HBx H 1 2.74 0.02 A 6 ASP N N 15 129.4 0.2 A 7 VAL H H 1 9.06 0.02 A 7 VAL HA H 1 4.42 0.02 A 7 VAL HB H 1 2.40 0.02 A 7 VAL HGx% H 1 0.96 0.02 A 7 VAL HGy% H 1 0.96 0.02 A 7 VAL CA C 13 60.6 0.2 A 7 VAL CB C 13 36.4 0.2 A 7 VAL CGy C 13 22.5 0.2 A 7 VAL CGx C 13 22.3 0.2 A 7 VAL N N 15 126.4 0.2 A 8 ASN H H 1 9.11 0.02 A 8 ASN HA H 1 4.46 0.02 A 8 ASN HBy H 1 3.30 0.02 A 8 ASN HBx H 1 2.68 0.02 A 8 ASN HD2y H 1 7.82 0.02 A 8 ASN HD2x H 1 6.95 0.02 A 8 ASN CA C 13 54.1 0.2 A 8 ASN CB C 13 38.3 0.2 A 8 ASN N N 15 125.5 0.2 A 8 ASN ND2 N 15 111.9 0.2 A 9 GLY H H 1 8.46 0.02 A 9 GLY HAy H 1 4.26 0.02 A 9 GLY HAx H 1 3.74 0.02 A 9 GLY CA C 13 45.4 0.2 A 9 GLY N N 15 105.1 0.2 A 10 GLU H H 1 7.74 0.02 A 10 GLU HA H 1 4.62 0.02 A 10 GLU HBx H 1 2.05 0.02 A 10 GLU HBy H 1 2.05 0.02 A 10 GLU HGy H 1 2.35 0.02 A 10 GLU HGx H 1 2.23 0.02 A 10 GLU CA C 13 54.5 0.2 A 10 GLU N N 15 121.1 0.2 A 11 THR H H 1 8.47 0.02 A 11 THR HA H 1 4.98 0.02 A 11 THR HB H 1 3.88 0.02 A 11 THR HG2% H 1 1.10 0.02 A 11 THR CA C 13 62.2 0.2 A 11 THR CB C 13 69.9 0.2 A 11 THR CG2 C 13 22.1 0.2 A 11 THR N N 15 118.8 0.2 A 12 TYR H H 1 9.18 0.02 A 12 TYR HA H 1 4.79 0.02 A 12 TYR HBx H 1 2.56 0.02 A 12 TYR HBy H 1 2.95 0.02 A 12 TYR HDx H 1 7.18 0.02 A 12 TYR HDy H 1 7.18 0.02 A 12 TYR HEx H 1 6.74 0.02 A 12 TYR HEy H 1 6.74 0.02 A 12 TYR CB C 13 41.1 0.2 A 12 TYR N N 15 126.1 0.2 A 13 THR H H 1 9.01 0.02 A 13 THR HA H 1 4.09 0.02 A 13 THR HB H 1 4.92 0.02 A 13 THR HG2% H 1 1.27 0.02 A 13 THR CA C 13 62.7 0.2 A 13 THR CB C 13 69.0 0.2 A 13 THR CG2 C 13 21.9 0.2 A 13 THR N N 15 120.1 0.2 A 14 VAL H H 1 8.65 0.02 A 14 VAL HA H 1 4.96 0.02 A 14 VAL HB H 1 2.44 0.02 A 14 VAL HGx% H 1 0.85 0.02 A 14 VAL HGy% H 1 0.72 0.02 A 14 VAL CA C 13 48.8 0.2 A 14 VAL CGy C 13 22.2 0.2 A 14 VAL CGx C 13 19.5 0.2 A 14 VAL N N 15 118.1 0.2 A 15 SER H H 1 8.85 0.02 A 15 SER HA H 1 4.53 0.02 A 15 SER HBx H 1 4.00 0.02 A 15 SER HBy H 1 4.00 0.02 A 15 SER CA C 13 60.0 0.2 A 15 SER CB C 13 64.2 0.2 A 15 SER N N 15 113.4 0.2 A 16 SER H H 1 7.31 0.02 A 16 SER HA H 1 4.87 0.02 A 16 SER HBy H 1 4.29 0.02 A 16 SER HBx H 1 4.07 0.02 A 16 SER CA C 13 60.0 0.2 A 16 SER CB C 13 66.2 0.2 A 16 SER N N 15 111.0 0.2 A 17 SER H H 1 9.40 0.02 A 17 SER HA H 1 4.02 0.02 A 17 SER HBx H 1 3.97 0.02 A 17 SER HBy H 1 3.97 0.02 A 17 SER CA C 13 61.6 0.2 A 17 SER CB C 13 62.1 0.2 A 17 SER N N 15 116.7 0.2 A 18 GLU H H 1 8.76 0.02 A 18 GLU HA H 1 4.12 0.02 A 18 GLU HBy H 1 2.16 0.02 A 18 GLU HBx H 1 2.00 0.02 A 18 GLU HGy H 1 2.42 0.02 A 18 GLU HGx H 1 2.16 0.02 A 18 GLU CA C 13 60.0 0.02 A 19 GLU H H 1 122.9 0.2 A 19 GLU HA H 1 8.02 0.02 A 19 GLU HBx H 1 2.14 0.02 A 19 GLU HBy H 1 2.14 0.02 A 19 GLU HGy H 1 2.52 0.02 A 19 GLU HGx H 1 2.32 0.02 A 19 GLU CA C 13 59.2 0.2 A 19 GLU CB C 13 28.7 0.2 A 19 GLU N N 15 119.5 0.2 A 20 CYS H H 1 7.65 0.02 A 20 CYS HA H 1 4.71 0.02 A 20 CYS HBx H 1 3.06 0.02 A 20 CYS HBy H 1 3.17 0.02 A 20 CYS CA C 13 56.0 0.2 A 20 CYS CB C 13 33.8 0.2 A 20 CYS N N 15 116.9 0.2 A 21 GLU H H 1 8.06 0.02 A 21 GLU HA H 1 4.11 0.02 A 21 GLU HBx H 1 2.19 0.02 A 21 GLU HBy H 1 2.19 0.02 A 21 GLU HGy H 1 2.51 0.02 A 21 GLU HGx H 1 2.44 0.02 A 21 GLU CA C 13 59.6 0.2 A 21 GLU N N 15 118.1 0.2 A 22 ARG H H 1 8.12 0.02 A 22 ARG HA H 1 3.96 0.02 A 22 ARG HBx H 1 1.90 0.02 A 22 ARG HBy H 1 1.90 0.02 A 22 ARG HDx H 1 3.20 0.02 A 22 ARG HDy H 1 3.20 0.02 A 22 ARG HE H 1 7.53 0.02 A 22 ARG HGx H 1 1.61 0.02 A 22 ARG CA C 13 60.0 0.02 A 22 ARG CD C 13 43.3 0.2 A 22 ARG N N 15 118.3 0.2 A 22 ARG NE N 15 84.2 0.2 A 23 LEU H H 1 8.02 0.02 A 23 LEU HA H 1 4.08 0.02 A 23 LEU HBy H 1 1.99 0.02 A 23 LEU HBx H 1 1.61 0.02 A 23 LEU HDx% H 1 0.65 0.02 A 23 LEU HDy% H 1 0.39 0.02 A 23 LEU HG H 1 1.30 0.02 A 23 LEU CA C 13 59.4 0.2 A 23 LEU CB C 13 41.9 0.2 A 23 LEU CDx C 13 23.0 0.2 A 23 LEU CDy C 13 25.4 0.2 A 23 LEU CG C 13 26.9 0.2 A 23 LEU N N 15 123.7 0.2 A 24 CYS H H 1 8.64 0.02 A 24 CYS HA H 1 3.84 0.02 A 24 CYS HBx H 1 3.23 0.02 A 24 CYS HBy H 1 3.63 0.02 A 24 CYS CA C 13 60.7 0.2 A 24 CYS CB C 13 42.5 0.2 A 24 CYS N N 15 117.1 0.2 A 25 ARG H H 1 7.93 0.02 A 25 ARG HA H 1 4.22 0.02 A 25 ARG HBx H 1 1.95 0.02 A 25 ARG HBy H 1 1.95 0.02 A 25 ARG HDx H 1 3.24 0.02 A 25 ARG HDy H 1 3.24 0.02 A 25 ARG HE H 1 7.42 0.02 A 25 ARG HGy H 1 1.86 0.02 A 25 ARG HGx H 1 1.72 0.02 A 25 ARG CA C 13 59.0 0.2 A 25 ARG CD C 13 43.3 0.2 A 25 ARG N N 15 116.9 0.2 A 25 ARG NE N 15 84.6 0.2 A 26 LYS H H 1 8.18 0.02 A 26 LYS HA H 1 4.07 0.02 A 26 LYS HBx H 1 2.04 0.02 A 26 LYS HBy H 1 2.04 0.02 A 26 LYS HGy H 1 1.57 0.02 A 26 LYS HGx H 1 1.44 0.02 A 26 LYS CA C 13 58.2 0.2 A 26 LYS CG C 13 24.9 0.2 A 26 LYS N N 15 122.4 0.2 A 27 LEU H H 1 7.89 0.02 A 27 LEU HA H 1 4.32 0.02 A 27 LEU HBx H 1 1.71 0.02 A 27 LEU HBy H 1 1.71 0.02 A 27 LEU HDx% H 1 0.87 0.02 A 27 LEU HDy% H 1 0.77 0.02 A 27 LEU HG H 1 1.75 0.02 A 27 LEU CA C 13 54.9 0.2 A 27 LEU CB C 13 42.0 0.2 A 27 LEU CDx C 13 22.2 0.2 A 27 LEU CDy C 13 25.7 0.2 A 27 LEU CG C 13 27.3 0.2 A 27 LEU N N 15 116.8 0.2 A 28 GLY H H 1 7.89 0.02 A 28 GLY HAy H 1 4.05 0.02 A 28 GLY HAx H 1 3.88 0.02 A 28 GLY CA C 13 46.3 0.2 A 28 GLY N N 15 108.8 0.2 A 29 VAL H H 1 8.03 0.02 A 29 VAL HA H 1 4.41 0.02 A 29 VAL HB H 1 2.06 0.02 A 29 VAL HGx% H 1 1.04 0.02 A 29 VAL HGy% H 1 0.88 0.02 A 29 VAL CA C 13 61.0 0.2 A 29 VAL CB C 13 33.9 0.2 A 29 VAL CGy C 13 23.1 0.2 A 29 VAL CGx C 13 21.2 0.2 A 29 VAL N N 15 118.8 0.2 A 30 THR H H 1 8.27 0.02 A 30 THR HB H 1 4.27 0.02 A 30 THR HG2% H 1 1.20 0.02 A 30 THR CA C 13 62.0 0.2 A 30 THR CB C 13 70.1 0.2 A 30 THR CG2 C 13 21.6 0.2 A 30 THR N N 15 114.9 0.2 A 31 ASN H H 1 8.36 0.02 A 31 ASN HA H 1 4.77 0.02 A 31 ASN HBy H 1 2.93 0.02 A 31 ASN HBx H 1 2.82 0.02 A 31 ASN HD2y H 1 7.66 0.02 A 31 ASN HD2x H 1 6.95 0.02 A 31 ASN CA C 13 53.0 0.2 A 31 ASN CB C 13 37.3 0.2 A 31 ASN N N 15 119.9 0.2 A 31 ASN ND2 N 15 112.2 0.2 A 32 CYS H H 1 8.20 0.02 A 32 CYS HA H 1 4.98 0.02 A 32 CYS HBx H 1 2.83 0.02 A 32 CYS HBy H 1 3.17 0.02 A 32 CYS CA C 13 57.6 0.2 A 32 CYS CB C 13 42.6 0.2 A 32 CYS N N 15 121.3 0.2 A 33 ARG H H 1 8.48 0.02 A 33 ARG HA H 1 4.68 0.02 A 33 ARG HBx H 1 1.90 0.02 A 33 ARG HBy H 1 1.90 0.02 A 33 ARG HDx H 1 3.28 0.02 A 33 ARG HDy H 1 3.28 0.02 A 33 ARG HE H 1 7.27 0.02 A 33 ARG HGy H 1 1.71 0.02 A 33 ARG HGx H 1 1.65 0.02 A 33 ARG CA C 13 55.5 0.2 A 33 ARG CD C 13 43.3 0.2 A 33 ARG CG C 13 29.2 0.2 A 33 ARG N N 15 125.0 0.2 A 33 ARG NE N 15 84.5 0.02 A 34 VAL H H 1 8.67 0.02 A 34 VAL HA H 1 5.33 0.02 A 34 VAL HB H 1 2.19 0.02 A 34 VAL HGx% H 1 0.96 0.02 A 34 VAL HGy% H 1 0.96 0.02 A 34 VAL CA C 13 59.0 0.2 A 34 VAL CB C 13 35.5 0.2 A 34 VAL CGy C 13 21.3 0.2 A 34 VAL CGx C 13 19.9 0.2 A 34 VAL N N 15 122.9 0.2 A 35 HIS H H 1 8.65 0.02 A 35 HIS HA H 1 4.98 0.02 A 35 HIS HBx H 1 3.27 0.02 A 35 HIS HBy H 1 3.27 0.02 A 35 HIS CA C 13 54.9 0.2 A 35 HIS CB C 13 30.4 0.2 A 35 HIS N N 15 123.6 0.2 A 36 CYS H H 1 9.20 0.02 A 36 CYS HA H 1 5.12 0.02 A 36 CYS HBx H 1 2.95 0.02 A 36 CYS HBy H 1 3.18 0.02 A 36 CYS CA C 13 55.5 0.2 A 36 CYS CB C 13 45.3 0.2 A 36 CYS N N 15 125.9 0.2 A 37 GLY H H 1 8.20 0.02 A 37 GLY HAx H 1 3.81 0.02 A 37 GLY HAy H 1 3.81 0.02 A 37 GLY CA C 13 46.1 0.2 A 37 GLY N N 15 116.0 0.2 stop_ save_ save_DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode DYANA/DIANA_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _nef_distance_restraint_list.potential_type upper-bound-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 3 CYS SG A 36 CYS SG 1.0 . 2.0 2 2 A 3 CYS SG A 36 CYS CB 1.0 . 3.0 3 3 A 36 CYS SG A 3 CYS CB 1.0 . 3.0 4 4 A 24 CYS SG A 32 CYS SG 1.0 . 2.0 5 5 A 24 CYS SG A 32 CYS CB 1.0 . 3.0 6 6 A 32 CYS SG A 24 CYS CB 1.0 . 3.0 7 7 A 5 CYS SG A 20 CYS SG 1.0 . 2.0 8 8 A 5 CYS SG A 20 CYS CB 1.0 . 3.0 9 9 A 20 CYS SG A 5 CYS CB 1.0 . 3.0 10 10 A 3 CYS SG A 36 CYS SG 1.0 . 2.1 11 11 A 3 CYS SG A 36 CYS CB 1.0 . 3.1 12 12 A 36 CYS SG A 3 CYS CB 1.0 . 3.1 13 13 A 24 CYS SG A 32 CYS SG 1.0 . 2.1 14 14 A 24 CYS SG A 32 CYS CB 1.0 . 3.1 15 15 A 32 CYS SG A 24 CYS CB 1.0 . 3.1 16 16 A 5 CYS SG A 20 CYS SG 1.0 . 2.1 17 17 A 5 CYS SG A 20 CYS CB 1.0 . 3.1 18 18 A 20 CYS SG A 5 CYS CB 1.0 . 3.1 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 7 VAL HB A 12 TYR HDy 1.0 1.8 4.85 2 2 A 7 VAL HB A 12 TYR HEy 1.0 1.8 4.37 3 3 A 34 VAL HA A 34 VAL HGx% 1.0 1.8 3.86 4 4 A 34 VAL HA A 34 VAL HGy% 1.0 1.8 3.86 5 5 A 14 VAL HA A 14 VAL HGx% 1.0 1.8 3.64 6 6 A 14 VAL HGy% A 20 CYS HA 1.0 1.8 4.69 7 7 A 14 VAL HGx% A 20 CYS HA 1.0 1.8 4.44 8 8 A 27 LEU HA A 27 LEU HDy% 1.0 1.8 3.14 9 9 A 27 LEU HA A 27 LEU HDx% 1.0 1.8 4.75 10 10 A 29 VAL HA A 29 VAL HGy% 1.0 1.8 3.52 11 11 A 7 VAL HA A 7 VAL HGx% 1.0 1.8 3.73 12 12 A 7 VAL HA A 7 VAL HGy% 1.0 1.8 3.73 13 13 A 29 VAL HA A 29 VAL HGx% 1.0 1.8 3.52 14 14 A 30 THR HA A 30 THR HG2% 1.0 1.8 3.16 15 15 A 13 THR HA A 13 THR HG2% 1.0 1.8 3.07 16 16 A 27 LEU HDx% A 24 CYS HA 1.0 1.8 4.56 17 17 A 14 VAL HGx% A 5 CYS HBx 1.0 1.8 4.11 18 18 A 14 VAL HGy% A 3 CYS HBx 1.0 1.8 4.36 19 19 A 14 VAL HGx% A 12 TYR HBy 1.0 1.8 4.73 20 20 A 14 VAL HGx% A 5 CYS HBy 1.0 1.8 4.11 21 21 A 27 LEU HDx% A 23 LEU HG 1.0 1.8 4.02 22 22 A 27 LEU HDx% A 27 LEU HBx 1.0 1.8 3.76 23 23 A 27 LEU HDx% A 27 LEU HBy 1.0 1.8 4.11 24 24 A 27 LEU HBx A 7 VAL HGx% 1.0 1.8 5.50 25 25 A 27 LEU HBx A 7 VAL HGy% 1.0 1.8 5.50 26 26 A 27 LEU HDx% A 7 VAL HGx% 1.0 1.8 4.76 27 27 A 27 LEU HDx% A 7 VAL HGy% 1.0 1.8 4.76 28 28 A 27 LEU HA A 27 LEU HG 1.0 1.8 4.05 29 29 A 24 CYS HA A 27 LEU HBx 1.0 1.8 4.75 30 30 A 24 CYS HA A 29 VAL HB 1.0 1.8 4.83 31 31 A 3 CYS HA A 36 CYS HA 1.0 1.8 3.98 32 32 A 12 TYR HEy A 7 VAL HGx% 1.0 1.8 4.86 33 33 A 12 TYR HEy A 7 VAL HGy% 1.0 1.8 4.86 34 34 A 12 TYR HEy A 27 LEU HDx% 1.0 1.8 5.40 35 35 A 14 VAL HGx% A 12 TYR HBx 1.0 1.8 4.37 36 36 A 14 VAL HGy% A 3 CYS HBy 1.0 1.8 4.36 37 37 A 2 PRO HA A 3 CYS H 1.0 1.8 3.34 38 38 A 13 THR HG2% A 3 CYS H 1.0 1.8 5.16 39 39 A 14 VAL HGy% A 3 CYS H 1.0 1.8 4.81 40 40 A 3 CYS HA A 4 GLU H 1.0 1.8 3.23 41 41 A 36 CYS HA A 4 GLU H 1.0 1.8 4.67 42 42 A 4 GLU H A 4 GLU HBy 1.0 1.8 4.19 43 43 A 4 GLU H A 4 GLU HBx 1.0 1.8 4.19 44 44 A 4 GLU HA A 5 CYS H 1.0 1.8 3.13 45 45 A 5 CYS H A 5 CYS HBx 1.0 1.8 3.79 46 46 A 5 CYS H A 5 CYS HBy 1.0 1.8 3.79 47 47 A 5 CYS H A 11 THR HG2% 1.0 1.8 4.71 48 48 A 14 VAL HGy% A 5 CYS H 1.0 1.8 4.81 49 49 A 4 GLU H A 5 CYS H 1.0 1.8 4.92 50 50 A 5 CYS HA A 6 ASP H 1.0 1.8 2.92 51 51 A 6 ASP H A 6 ASP HBy 1.0 1.8 3.54 52 52 A 6 ASP H A 6 ASP HBx 1.0 1.8 3.54 53 53 A 6 ASP H A 33 ARG HBx 1.0 1.8 5.50 54 54 A 6 ASP H A 33 ARG HBy 1.0 1.8 5.50 55 55 A 6 ASP HA A 7 VAL H 1.0 1.8 2.86 56 56 A 7 VAL H A 32 CYS HA 1.0 1.8 4.41 57 57 A 7 VAL HB A 7 VAL H 1.0 1.8 3.59 58 58 A 32 CYS HA A 8 ASN H 1.0 1.8 4.90 59 59 A 7 VAL HA A 8 ASN H 1.0 1.8 2.86 60 60 A 8 ASN H A 9 GLY H 1.0 1.8 3.74 61 61 A 9 GLY H A 8 ASN HBy 1.0 1.8 4.76 62 62 A 9 GLY H A 8 ASN HBx 1.0 1.8 4.76 63 63 A 7 VAL H A 10 GLU H 1.0 1.8 4.01 64 64 A 9 GLY H A 10 GLU H 1.0 1.8 3.49 65 65 A 10 GLU H A 10 GLU HGy 1.0 1.8 4.80 66 66 A 10 GLU H A 10 GLU HGx 1.0 1.8 4.80 67 67 A 11 THR HG2% A 11 THR H 1.0 1.8 4.27 68 68 A 11 THR H A 11 THR HB 1.0 1.8 3.41 69 69 A 11 THR H A 10 GLU HA 1.0 1.8 2.92 70 70 A 12 TYR HDy A 12 TYR H 1.0 1.8 4.29 71 71 A 5 CYS H A 12 TYR H 1.0 1.8 3.79 72 72 A 12 TYR H A 11 THR HA 1.0 1.8 2.97 73 73 A 35 HIS HA A 36 CYS H 1.0 1.8 3.20 74 74 A 12 TYR HBx A 12 TYR H 1.0 1.8 3.61 75 75 A 11 THR HG2% A 12 TYR H 1.0 1.8 4.16 76 76 A 11 THR HB A 12 TYR H 1.0 1.8 4.83 77 77 A 13 THR H A 13 THR HB 1.0 1.8 4.08 78 78 A 13 THR H A 12 TYR HA 1.0 1.8 3.19 79 79 A 12 TYR HBy A 13 THR H 1.0 1.8 4.00 80 80 A 12 TYR HBx A 13 THR H 1.0 1.8 4.99 81 81 A 13 THR HG2% A 13 THR H 1.0 1.8 4.47 82 82 A 14 VAL HGx% A 13 THR H 1.0 1.8 5.01 83 83 A 13 THR HB A 14 VAL H 1.0 1.8 3.11 84 84 A 13 THR HG2% A 14 VAL H 1.0 1.8 3.91 85 85 A 14 VAL HGx% A 14 VAL H 1.0 1.8 4.16 86 86 A 14 VAL HGy% A 14 VAL H 1.0 1.8 3.37 87 87 A 14 VAL HA A 15 SER H 1.0 1.8 3.14 88 88 A 15 SER H A 15 SER HBx 1.0 1.8 4.00 89 89 A 15 SER H A 15 SER HBy 1.0 1.8 4.00 90 90 A 15 SER H A 19 GLU HBx 1.0 1.8 4.92 91 91 A 15 SER H A 19 GLU HBy 1.0 1.8 4.92 92 92 A 14 VAL HGx% A 15 SER H 1.0 1.8 4.69 93 93 A 14 VAL HGy% A 15 SER H 1.0 1.8 4.41 94 94 A 15 SER H A 16 SER H 1.0 1.8 3.47 95 95 A 16 SER H A 19 GLU H 1.0 1.8 4.34 96 96 A 16 SER H A 19 GLU HBx 1.0 1.8 3.77 97 97 A 16 SER H A 19 GLU HBy 1.0 1.8 3.77 98 98 A 14 VAL HGy% A 16 SER H 1.0 1.8 3.41 99 99 A 16 SER HA A 17 SER H 1.0 1.8 3.02 100 100 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.70 101 101 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.70 102 102 A 19 GLU H A 18 GLU H 1.0 1.8 3.38 103 103 A 17 SER H A 18 GLU H 1.0 1.8 3.35 104 104 A 19 GLU H A 19 GLU HGx 1.0 1.8 4.74 105 105 A 19 GLU H A 19 GLU HGy 1.0 1.8 4.74 106 106 A 19 GLU H A 20 CYS H 1.0 1.8 3.10 107 107 A 20 CYS H A 21 GLU H 1.0 1.8 3.39 108 108 A 20 CYS H A 17 SER HA 1.0 1.8 3.84 109 109 A 20 CYS H A 20 CYS HBx 1.0 1.8 3.17 110 110 A 20 CYS H A 20 CYS HBy 1.0 1.8 3.17 111 111 A 20 CYS H A 19 GLU HBx 1.0 1.8 4.27 112 112 A 20 CYS H A 19 GLU HBy 1.0 1.8 4.27 113 113 A 14 VAL HGy% A 20 CYS H 1.0 1.8 3.80 114 114 A 21 GLU H A 20 CYS HBx 1.0 1.8 4.26 115 115 A 21 GLU H A 20 CYS HBy 1.0 1.8 4.26 116 116 A 21 GLU H A 21 GLU HGy 1.0 1.8 4.02 117 117 A 21 GLU H A 21 GLU HGx 1.0 1.8 4.02 118 118 A 22 ARG H A 22 ARG HBx 1.0 1.8 3.44 119 119 A 22 ARG H A 22 ARG HBy 1.0 1.8 3.44 120 120 A 22 ARG H A 21 GLU HBx 1.0 1.8 4.04 121 121 A 22 ARG H A 21 GLU HBy 1.0 1.8 4.04 122 122 A 22 ARG H A 21 GLU HGx 1.0 1.8 5.15 123 123 A 22 ARG H A 21 GLU HGy 1.0 1.8 5.15 124 124 A 23 LEU H A 23 LEU HDy% 1.0 1.8 4.86 125 125 A 23 LEU H A 23 LEU HDx% 1.0 1.8 4.86 126 126 A 23 LEU HG A 23 LEU H 1.0 1.8 4.71 127 127 A 23 LEU H A 23 LEU HBx 1.0 1.8 3.13 128 128 A 23 LEU H A 22 ARG HBx 1.0 1.8 4.22 129 129 A 23 LEU H A 22 ARG HBy 1.0 1.8 4.22 130 130 A 23 LEU H A 23 LEU HBy 1.0 1.8 3.13 131 131 A 20 CYS HA A 23 LEU H 1.0 1.8 4.20 132 132 A 23 LEU HG A 24 CYS H 1.0 1.8 4.92 133 133 A 24 CYS H A 21 GLU HA 1.0 1.8 4.05 134 134 A 24 CYS H A 25 ARG H 1.0 1.8 3.41 135 135 A 23 LEU H A 24 CYS H 1.0 1.8 3.20 136 136 A 20 CYS HA A 24 CYS H 1.0 1.8 5.01 137 137 A 21 GLU HA A 25 ARG H 1.0 1.8 4.75 138 138 A 25 ARG H A 23 LEU HA 1.0 1.8 5.42 139 139 A 25 ARG H A 22 ARG HA 1.0 1.8 4.36 140 140 A 25 ARG H A 24 CYS HBx 1.0 1.8 3.80 141 141 A 25 ARG H A 24 CYS HBy 1.0 1.8 3.80 142 142 A 25 ARG H A 25 ARG HGx 1.0 1.8 4.06 143 143 A 25 ARG H A 25 ARG HGy 1.0 1.8 4.06 144 144 A 26 LYS H A 26 LYS HBx 1.0 1.8 3.40 145 145 A 26 LYS H A 26 LYS HBy 1.0 1.8 3.40 146 146 A 27 LEU HBx A 26 LYS H 1.0 1.8 5.50 147 147 A 26 LYS H A 26 LYS HGy 1.0 1.8 4.93 148 148 A 26 LYS H A 26 LYS HGx 1.0 1.8 4.93 149 149 A 25 ARG H A 26 LYS H 1.0 1.8 3.22 150 150 A 23 LEU HA A 27 LEU H 1.0 1.8 4.56 151 151 A 24 CYS HA A 27 LEU H 1.0 1.8 4.68 152 152 A 27 LEU H A 26 LYS HBx 1.0 1.8 4.36 153 153 A 27 LEU H A 26 LYS HBy 1.0 1.8 4.36 154 154 A 27 LEU HBx A 27 LEU H 1.0 1.8 3.01 155 155 A 27 LEU HDy% A 27 LEU H 1.0 1.8 4.78 156 156 A 27 LEU HDx% A 27 LEU H 1.0 1.8 5.00 157 157 A 26 LYS H A 27 LEU H 1.0 1.8 3.32 158 158 A 27 LEU HG A 27 LEU H 1.0 1.8 3.23 159 159 A 27 LEU HBx A 28 GLY H 1.0 1.8 4.17 160 160 A 29 VAL HB A 28 GLY H 1.0 1.8 5.06 161 161 A 24 CYS HA A 29 VAL H 1.0 1.8 4.44 162 162 A 29 VAL HB A 29 VAL H 1.0 1.8 3.55 163 163 A 27 LEU HBx A 29 VAL H 1.0 1.8 4.62 164 164 A 27 LEU HBy A 29 VAL H 1.0 1.8 5.25 165 165 A 29 VAL H A 29 VAL HGx% 1.0 1.8 4.69 166 166 A 29 VAL H A 29 VAL HGy% 1.0 1.8 4.69 167 167 A 29 VAL HA A 30 THR H 1.0 1.8 3.05 168 168 A 29 VAL HB A 30 THR H 1.0 1.8 4.25 169 169 A 30 THR HG2% A 30 THR H 1.0 1.8 3.99 170 170 A 30 THR H A 29 VAL HGx% 1.0 1.8 4.97 171 171 A 30 THR H A 29 VAL HGy% 1.0 1.8 4.97 172 172 A 31 ASN H A 31 ASN HBx 1.0 1.8 4.10 173 173 A 31 ASN H A 31 ASN HBy 1.0 1.8 4.10 174 174 A 31 ASN H A 30 THR HB 1.0 1.8 4.12 175 175 A 31 ASN HA A 32 CYS H 1.0 1.8 3.15 176 176 A 6 ASP H A 33 ARG H 1.0 1.8 4.10 177 177 A 32 CYS HA A 33 ARG H 1.0 1.8 2.92 178 178 A 33 ARG H A 6 ASP HBy 1.0 1.8 4.45 179 179 A 33 ARG H A 6 ASP HBx 1.0 1.8 4.45 180 180 A 34 VAL H A 34 VAL HGx% 1.0 1.8 4.78 181 181 A 34 VAL H A 34 VAL HGy% 1.0 1.8 4.78 182 182 A 34 VAL H A 34 VAL HB 1.0 1.8 4.00 183 183 A 34 VAL H A 33 ARG HA 1.0 1.8 2.99 184 184 A 35 HIS H A 34 VAL HGx% 1.0 1.8 4.69 185 185 A 35 HIS H A 34 VAL HGy% 1.0 1.8 4.69 186 186 A 34 VAL HA A 35 HIS H 1.0 1.8 2.90 187 187 A 35 HIS H A 4 GLU HBx 1.0 1.8 4.98 188 188 A 35 HIS H A 4 GLU HBy 1.0 1.8 4.98 189 189 A 36 CYS HA A 37 GLY H 1.0 1.8 3.30 190 190 A 3 CYS HA A 37 GLY H 1.0 1.8 4.72 191 191 A 22 ARG HE A 22 ARG HBx 1.0 1.8 5.48 192 192 A 22 ARG HE A 22 ARG HBy 1.0 1.8 5.48 193 193 A 33 ARG HE A 33 ARG HBx 1.0 1.8 5.46 194 194 A 33 ARG HE A 33 ARG HBy 1.0 1.8 5.46 195 195 A 25 ARG HE A 25 ARG HBx 1.0 1.8 5.43 196 196 A 25 ARG HE A 25 ARG HBy 1.0 1.8 5.43 197 197 A 1 ALA HA A 2 PRO HDy 1.0 1.8 3.46 198 197 A 1 ALA HA A 2 PRO HDx 1.0 1.8 3.46 199 198 A 1 ALA HB% A 2 PRO HDy 1.0 1.8 3.73 200 198 A 2 PRO HDx A 1 ALA HB% 1.0 1.8 3.73 201 199 A 13 THR HG2% A 2 PRO HBx 1.0 1.8 4.62 202 199 A 13 THR HG2% A 2 PRO HBy 1.0 1.8 4.62 203 200 A 3 CYS H A 2 PRO HGx 1.0 1.8 4.33 204 200 A 3 CYS H A 2 PRO HGy 1.0 1.8 4.33 205 201 A 13 THR HG2% A 2 PRO HGx 1.0 1.8 4.78 206 201 A 13 THR HG2% A 2 PRO HGy 1.0 1.8 4.78 207 202 A 3 CYS H A 3 CYS HBy 1.0 1.8 3.52 208 202 A 3 CYS H A 3 CYS HBx 1.0 1.8 3.52 209 203 A 4 GLU H A 3 CYS HBy 1.0 1.8 3.88 210 203 A 4 GLU H A 3 CYS HBx 1.0 1.8 3.88 211 204 A 14 VAL HGy% A 3 CYS HBy 1.0 1.8 3.48 212 204 A 14 VAL HGy% A 3 CYS HBx 1.0 1.8 3.48 213 205 A 4 GLU H A 4 GLU HBx 1.0 1.8 3.52 214 205 A 4 GLU H A 4 GLU HBy 1.0 1.8 3.52 215 206 A 4 GLU H A 36 CYS HBx 1.0 1.8 5.34 216 206 A 4 GLU H A 36 CYS HBy 1.0 1.8 5.34 217 207 A 11 THR HG2% A 4 GLU HBx 1.0 1.8 3.93 218 207 A 11 THR HG2% A 4 GLU HBy 1.0 1.8 3.93 219 208 A 5 CYS H A 4 GLU HGy 1.0 1.8 4.83 220 208 A 5 CYS H A 4 GLU HGx 1.0 1.8 4.83 221 209 A 5 CYS H A 5 CYS HBy 1.0 1.8 3.24 222 209 A 5 CYS H A 5 CYS HBx 1.0 1.8 3.24 223 210 A 5 CYS HBx A 7 VAL HGy% 1.0 1.8 4.88 224 210 A 5 CYS HBy A 7 VAL HGy% 1.0 1.8 4.88 225 210 A 7 VAL HGx% A 5 CYS HBy 1.0 1.8 4.88 226 210 A 5 CYS HBx A 7 VAL HGx% 1.0 1.8 4.88 227 211 A 12 TYR H A 5 CYS HBy 1.0 1.8 4.49 228 211 A 12 TYR H A 5 CYS HBx 1.0 1.8 4.49 229 212 A 12 TYR HBx A 5 CYS HBy 1.0 1.8 4.13 230 212 A 12 TYR HBx A 5 CYS HBx 1.0 1.8 4.13 231 213 A 14 VAL HGx% A 5 CYS HBy 1.0 1.8 3.60 232 213 A 14 VAL HGx% A 5 CYS HBx 1.0 1.8 3.60 233 214 A 14 VAL HGy% A 5 CYS HBy 1.0 1.8 3.33 234 214 A 14 VAL HGy% A 5 CYS HBx 1.0 1.8 3.33 235 215 A 5 CYS HBx A 23 LEU HDy% 1.0 1.8 4.71 236 215 A 5 CYS HBy A 23 LEU HDy% 1.0 1.8 4.71 237 215 A 23 LEU HDx% A 5 CYS HBy 1.0 1.8 4.71 238 215 A 5 CYS HBx A 23 LEU HDx% 1.0 1.8 4.71 239 216 A 6 ASP H A 7 VAL HGy% 1.0 1.8 4.70 240 216 A 6 ASP H A 7 VAL HGx% 1.0 1.8 4.70 241 217 A 6 ASP H A 33 ARG HBy 1.0 1.8 4.77 242 217 A 6 ASP H A 33 ARG HBx 1.0 1.8 4.77 243 218 A 33 ARG H A 6 ASP HBx 1.0 1.8 3.88 244 218 A 33 ARG H A 6 ASP HBy 1.0 1.8 3.88 245 219 A 6 ASP HBy A 33 ARG HBy 1.0 1.8 4.34 246 219 A 6 ASP HBx A 33 ARG HBy 1.0 1.8 4.34 247 219 A 33 ARG HBx A 6 ASP HBx 1.0 1.8 4.34 248 219 A 33 ARG HBx A 6 ASP HBy 1.0 1.8 4.34 249 220 A 7 VAL H A 7 VAL HGy% 1.0 1.8 3.52 250 220 A 7 VAL H A 7 VAL HGx% 1.0 1.8 3.52 251 221 A 8 ASN H A 7 VAL HGy% 1.0 1.8 4.19 252 221 A 8 ASN H A 7 VAL HGx% 1.0 1.8 4.19 253 222 A 7 VAL HGx% A 8 ASN HBy 1.0 1.8 4.48 254 222 A 7 VAL HGy% A 8 ASN HBy 1.0 1.8 4.48 255 222 A 8 ASN HBx A 7 VAL HGy% 1.0 1.8 4.48 256 222 A 7 VAL HGx% A 8 ASN HBx 1.0 1.8 4.48 257 223 A 12 TYR H A 7 VAL HGy% 1.0 1.8 4.80 258 223 A 12 TYR H A 7 VAL HGx% 1.0 1.8 4.80 259 224 A 12 TYR HBx A 7 VAL HGy% 1.0 1.8 3.80 260 224 A 12 TYR HBx A 7 VAL HGx% 1.0 1.8 3.80 261 225 A 12 TYR HBy A 7 VAL HGy% 1.0 1.8 4.97 262 225 A 12 TYR HBy A 7 VAL HGx% 1.0 1.8 4.97 263 226 A 12 TYR HEy A 7 VAL HGy% 1.0 1.8 4.16 264 226 A 12 TYR HEy A 7 VAL HGx% 1.0 1.8 4.16 265 227 A 12 TYR HDy A 7 VAL HGy% 1.0 1.8 3.38 266 227 A 12 TYR HDy A 7 VAL HGx% 1.0 1.8 3.38 267 228 A 23 LEU HG A 7 VAL HGy% 1.0 1.8 4.78 268 228 A 23 LEU HG A 7 VAL HGx% 1.0 1.8 4.78 269 229 A 24 CYS H A 7 VAL HGy% 1.0 1.8 5.22 270 229 A 24 CYS H A 7 VAL HGx% 1.0 1.8 5.22 271 230 A 24 CYS HA A 7 VAL HGy% 1.0 1.8 3.99 272 230 A 24 CYS HA A 7 VAL HGx% 1.0 1.8 3.99 273 231 A 27 LEU HBy A 7 VAL HGy% 1.0 1.8 5.44 274 231 A 27 LEU HBy A 7 VAL HGx% 1.0 1.8 5.44 275 232 A 27 LEU HDx% A 7 VAL HGy% 1.0 1.8 4.08 276 232 A 27 LEU HDx% A 7 VAL HGx% 1.0 1.8 4.08 277 233 A 9 GLY H A 8 ASN HBy 1.0 1.8 4.00 278 233 A 9 GLY H A 8 ASN HBx 1.0 1.8 4.00 279 234 A 10 GLU H A 10 GLU HBx 1.0 1.8 3.39 280 234 A 10 GLU H A 10 GLU HBy 1.0 1.8 3.39 281 235 A 10 GLU HA A 10 GLU HGy 1.0 1.8 3.72 282 235 A 10 GLU HA A 10 GLU HGx 1.0 1.8 3.72 283 236 A 12 TYR HBx A 23 LEU HDy% 1.0 1.8 4.14 284 236 A 12 TYR HBx A 23 LEU HDx% 1.0 1.8 4.14 285 237 A 12 TYR HBy A 23 LEU HDy% 1.0 1.8 4.97 286 237 A 12 TYR HBy A 23 LEU HDx% 1.0 1.8 4.97 287 238 A 12 TYR HEy A 23 LEU HDy% 1.0 1.8 5.34 288 238 A 12 TYR HEy A 23 LEU HDx% 1.0 1.8 5.34 289 239 A 12 TYR HDy A 23 LEU HDy% 1.0 1.8 4.32 290 239 A 12 TYR HDy A 23 LEU HDx% 1.0 1.8 4.32 291 240 A 14 VAL HGx% A 20 CYS HBy 1.0 1.8 4.57 292 240 A 14 VAL HGx% A 20 CYS HBx 1.0 1.8 4.57 293 241 A 14 VAL HGx% A 23 LEU HDy% 1.0 1.8 4.01 294 241 A 14 VAL HGx% A 23 LEU HDx% 1.0 1.8 4.01 295 242 A 14 VAL HGy% A 20 CYS HBy 1.0 1.8 3.41 296 242 A 14 VAL HGy% A 20 CYS HBx 1.0 1.8 3.41 297 243 A 15 SER H A 15 SER HBy 1.0 1.8 3.45 298 243 A 15 SER H A 15 SER HBx 1.0 1.8 3.45 299 244 A 15 SER H A 19 GLU HBy 1.0 1.8 4.29 300 244 A 15 SER H A 19 GLU HBx 1.0 1.8 4.29 301 245 A 16 SER H A 19 GLU HBy 1.0 1.8 3.26 302 245 A 16 SER H A 19 GLU HBx 1.0 1.8 3.26 303 246 A 17 SER H A 16 SER HBy 1.0 1.8 3.13 304 246 A 17 SER H A 16 SER HBx 1.0 1.8 3.13 305 247 A 18 GLU H A 16 SER HBy 1.0 1.8 3.50 306 247 A 18 GLU H A 16 SER HBx 1.0 1.8 3.50 307 248 A 19 GLU H A 16 SER HBy 1.0 1.8 4.61 308 248 A 19 GLU H A 16 SER HBx 1.0 1.8 4.61 309 249 A 17 SER HA A 17 SER HBx 1.0 1.8 2.63 310 249 A 17 SER HA A 17 SER HBy 1.0 1.8 2.63 311 250 A 17 SER HA A 20 CYS HBy 1.0 1.8 4.38 312 250 A 17 SER HA A 20 CYS HBx 1.0 1.8 4.38 313 251 A 17 SER HBy A 34 VAL HGy% 1.0 1.8 4.61 314 251 A 17 SER HBx A 34 VAL HGy% 1.0 1.8 4.61 315 251 A 34 VAL HGx% A 17 SER HBx 1.0 1.8 4.61 316 251 A 17 SER HBy A 34 VAL HGx% 1.0 1.8 4.61 317 252 A 18 GLU H A 18 GLU HBx 1.0 1.8 3.06 318 252 A 18 GLU H A 18 GLU HBy 1.0 1.8 3.06 319 253 A 18 GLU H A 18 GLU HGy 1.0 1.8 4.17 320 253 A 18 GLU H A 18 GLU HGx 1.0 1.8 4.17 321 254 A 19 GLU H A 18 GLU HBx 1.0 1.8 3.98 322 254 A 19 GLU H A 18 GLU HBy 1.0 1.8 3.98 323 255 A 19 GLU H A 19 GLU HBy 1.0 1.8 3.00 324 255 A 19 GLU H A 19 GLU HBx 1.0 1.8 3.00 325 256 A 19 GLU H A 19 GLU HGy 1.0 1.8 4.11 326 256 A 19 GLU H A 19 GLU HGx 1.0 1.8 4.11 327 257 A 20 CYS H A 19 GLU HBy 1.0 1.8 3.73 328 257 A 20 CYS H A 19 GLU HBx 1.0 1.8 3.73 329 258 A 20 CYS H A 34 VAL HGy% 1.0 1.8 5.10 330 258 A 20 CYS H A 34 VAL HGx% 1.0 1.8 5.10 331 259 A 20 CYS HA A 23 LEU HBy 1.0 1.8 5.28 332 259 A 20 CYS HA A 23 LEU HBx 1.0 1.8 5.28 333 260 A 21 GLU H A 20 CYS HBy 1.0 1.8 3.41 334 260 A 21 GLU H A 20 CYS HBx 1.0 1.8 3.41 335 261 A 20 CYS HBy A 34 VAL HGy% 1.0 1.8 3.35 336 261 A 20 CYS HBx A 34 VAL HGy% 1.0 1.8 3.35 337 261 A 34 VAL HGx% A 20 CYS HBy 1.0 1.8 3.35 338 261 A 20 CYS HBx A 34 VAL HGx% 1.0 1.8 3.35 339 262 A 21 GLU H A 21 GLU HBy 1.0 1.8 3.14 340 262 A 21 GLU H A 21 GLU HBx 1.0 1.8 3.14 341 263 A 22 ARG H A 21 GLU HBy 1.0 1.8 3.32 342 263 A 22 ARG H A 21 GLU HBx 1.0 1.8 3.32 343 264 A 22 ARG H A 21 GLU HGy 1.0 1.8 4.50 344 264 A 22 ARG H A 21 GLU HGx 1.0 1.8 4.50 345 265 A 22 ARG H A 22 ARG HBy 1.0 1.8 2.87 346 265 A 22 ARG H A 22 ARG HBx 1.0 1.8 2.87 347 266 A 22 ARG H A 22 ARG HGx 1.0 1.8 4.60 348 266 A 22 ARG H A 22 ARG HGy 1.0 1.8 4.60 349 267 A 22 ARG HA A 25 ARG HBy 1.0 1.8 3.45 350 267 A 22 ARG HA A 25 ARG HBx 1.0 1.8 3.45 351 268 A 22 ARG HE A 22 ARG HBy 1.0 1.8 4.65 352 268 A 22 ARG HE A 22 ARG HBx 1.0 1.8 4.65 353 269 A 23 LEU H A 22 ARG HBy 1.0 1.8 3.67 354 269 A 23 LEU H A 22 ARG HBx 1.0 1.8 3.67 355 270 A 23 LEU HA A 23 LEU HDy% 1.0 1.8 3.54 356 270 A 23 LEU HA A 23 LEU HDx% 1.0 1.8 3.54 357 271 A 24 CYS H A 23 LEU HBy 1.0 1.8 3.07 358 271 A 24 CYS H A 23 LEU HBx 1.0 1.8 3.07 359 272 A 24 CYS H A 23 LEU HDy% 1.0 1.8 4.73 360 272 A 24 CYS H A 23 LEU HDx% 1.0 1.8 4.73 361 273 A 27 LEU H A 23 LEU HDy% 1.0 1.8 5.06 362 273 A 27 LEU H A 23 LEU HDx% 1.0 1.8 5.06 363 274 A 27 LEU HG A 23 LEU HDy% 1.0 1.8 4.65 364 274 A 27 LEU HG A 23 LEU HDx% 1.0 1.8 4.65 365 275 A 27 LEU HDx% A 23 LEU HDy% 1.0 1.8 3.51 366 275 A 27 LEU HDx% A 23 LEU HDx% 1.0 1.8 3.51 367 276 A 24 CYS H A 24 CYS HBy 1.0 1.8 2.82 368 276 A 24 CYS H A 24 CYS HBx 1.0 1.8 2.82 369 277 A 24 CYS HA A 29 VAL HGy% 1.0 1.8 4.37 370 277 A 24 CYS HA A 29 VAL HGx% 1.0 1.8 4.37 371 278 A 25 ARG H A 24 CYS HBy 1.0 1.8 3.31 372 278 A 25 ARG H A 24 CYS HBx 1.0 1.8 3.31 373 279 A 24 CYS HBy A 29 VAL HGy% 1.0 1.8 4.28 374 279 A 24 CYS HBx A 29 VAL HGy% 1.0 1.8 4.28 375 279 A 29 VAL HGx% A 24 CYS HBy 1.0 1.8 4.28 376 279 A 24 CYS HBx A 29 VAL HGx% 1.0 1.8 4.28 377 280 A 25 ARG H A 25 ARG HBy 1.0 1.8 3.02 378 280 A 25 ARG H A 25 ARG HBx 1.0 1.8 3.02 379 281 A 25 ARG HE A 25 ARG HBy 1.0 1.8 4.76 380 281 A 25 ARG HE A 25 ARG HBx 1.0 1.8 4.76 381 282 A 26 LYS H A 25 ARG HBy 1.0 1.8 3.51 382 282 A 26 LYS H A 25 ARG HBx 1.0 1.8 3.51 383 283 A 26 LYS H A 25 ARG HGx 1.0 1.8 5.18 384 283 A 26 LYS H A 25 ARG HGy 1.0 1.8 5.18 385 284 A 26 LYS H A 26 LYS HBx 1.0 1.8 2.83 386 284 A 26 LYS H A 26 LYS HBy 1.0 1.8 2.83 387 285 A 27 LEU H A 26 LYS HBx 1.0 1.8 3.81 388 285 A 27 LEU H A 26 LYS HBy 1.0 1.8 3.81 389 286 A 27 LEU H A 29 VAL HGy% 1.0 1.8 5.44 390 286 A 27 LEU H A 29 VAL HGx% 1.0 1.8 5.44 391 287 A 28 GLY H A 29 VAL HGy% 1.0 1.8 4.91 392 287 A 28 GLY H A 29 VAL HGx% 1.0 1.8 4.91 393 288 A 29 VAL HA A 28 GLY HAy 1.0 1.8 4.55 394 288 A 29 VAL HA A 28 GLY HAx 1.0 1.8 4.55 395 289 A 29 VAL H A 29 VAL HGy% 1.0 1.8 3.50 396 289 A 29 VAL H A 29 VAL HGx% 1.0 1.8 3.50 397 290 A 30 THR H A 29 VAL HGy% 1.0 1.8 3.81 398 290 A 30 THR H A 29 VAL HGx% 1.0 1.8 3.81 399 291 A 32 CYS H A 31 ASN HBy 1.0 1.8 4.37 400 291 A 32 CYS H A 31 ASN HBx 1.0 1.8 4.37 401 292 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.58 402 292 A 32 CYS H A 32 CYS HBy 1.0 1.8 3.58 403 293 A 33 ARG H A 32 CYS HBx 1.0 1.8 4.16 404 293 A 33 ARG H A 32 CYS HBy 1.0 1.8 4.16 405 294 A 33 ARG H A 33 ARG HBy 1.0 1.8 3.28 406 294 A 33 ARG H A 33 ARG HBx 1.0 1.8 3.28 407 295 A 33 ARG H A 33 ARG HGy 1.0 1.8 4.39 408 295 A 33 ARG H A 33 ARG HGx 1.0 1.8 4.39 409 296 A 33 ARG HE A 33 ARG HBy 1.0 1.8 4.71 410 296 A 33 ARG HE A 33 ARG HBx 1.0 1.8 4.71 411 297 A 34 VAL H A 33 ARG HBy 1.0 1.8 4.11 412 297 A 34 VAL H A 33 ARG HBx 1.0 1.8 4.11 413 298 A 34 VAL H A 33 ARG HGy 1.0 1.8 4.85 414 298 A 34 VAL H A 33 ARG HGx 1.0 1.8 4.85 415 299 A 34 VAL H A 34 VAL HGy% 1.0 1.8 3.90 416 299 A 34 VAL H A 34 VAL HGx% 1.0 1.8 3.90 417 300 A 35 HIS H A 34 VAL HGy% 1.0 1.8 4.08 418 300 A 35 HIS H A 34 VAL HGx% 1.0 1.8 4.08 419 301 A 37 GLY H A 36 CYS HBx 1.0 1.8 4.07 420 301 A 37 GLY H A 36 CYS HBy 1.0 1.8 4.07 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 4 GLU H A 35 HIS O 1.0 1.8 2.0 2 2 A 35 HIS O A 4 GLU N 1.0 2.7 3.0 3 3 A 6 ASP H A 33 ARG O 1.0 1.8 2.0 4 4 A 33 ARG O A 6 ASP N 1.0 2.7 3.0 5 5 A 33 ARG H A 6 ASP O 1.0 1.8 2.0 6 6 A 6 ASP O A 33 ARG N 1.0 2.7 3.0 7 7 A 5 CYS H A 12 TYR O 1.0 1.8 2.0 8 8 A 12 TYR O A 5 CYS N 1.0 2.7 3.0 9 9 A 12 TYR H A 5 CYS O 1.0 1.8 2.0 10 10 A 5 CYS O A 12 TYR N 1.0 2.7 3.0 11 11 A 7 VAL H A 10 GLU O 1.0 1.8 2.0 12 12 A 10 GLU O A 7 VAL N 1.0 2.7 3.0 13 13 A 10 GLU H A 7 VAL O 1.0 1.8 2.0 14 14 A 7 VAL O A 10 GLU N 1.0 2.7 3.0 15 15 A 14 VAL H A 3 CYS O 1.0 1.8 2.0 16 16 A 3 CYS O A 14 VAL N 1.0 2.7 3.0 17 17 A 29 VAL H A 24 CYS O 1.0 1.8 2.0 18 18 A 24 CYS O A 29 VAL N 1.0 2.7 3.0 19 19 A 20 CYS H A 16 SER O 1.0 1.8 2.0 20 20 A 16 SER O A 20 CYS N 1.0 2.7 3.0 21 21 A 22 ARG H A 18 GLU O 1.0 1.8 2.0 22 22 A 18 GLU O A 22 ARG N 1.0 2.7 3.0 23 23 A 23 LEU H A 19 GLU O 1.0 1.8 2.0 24 24 A 19 GLU O A 23 LEU N 1.0 2.7 3.0 25 25 A 24 CYS H A 20 CYS O 1.0 1.8 2.0 26 26 A 20 CYS O A 24 CYS N 1.0 2.7 3.0 27 27 A 25 ARG H A 21 GLU O 1.0 1.8 2.0 28 28 A 21 GLU O A 25 ARG N 1.0 2.7 3.0 29 29 A 26 LYS H A 22 ARG O 1.0 1.8 2.0 30 30 A 22 ARG O A 26 LYS N 1.0 2.7 3.0 31 31 A 27 LEU H A 23 LEU O 1.0 1.8 2.0 32 32 A 23 LEU O A 27 LEU N 1.0 2.7 3.0 33 33 A 28 GLY H A 24 CYS O 1.0 1.8 2.0 34 34 A 24 CYS O A 28 GLY N 1.0 2.7 3.0 stop_ save_ save_CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_5 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 3 CYS C A 4 GLU N A 4 GLU CA A 4 GLU C 1.0 -164.0 -114.0 PHI 2 2 A 4 GLU N A 4 GLU CA A 4 GLU C A 5 CYS N 1.0 100.0 180.0 PSI 3 3 A 4 GLU C A 5 CYS N A 5 CYS CA A 5 CYS C 1.0 -164.0 -114.0 PHI 4 4 A 5 CYS N A 5 CYS CA A 5 CYS C A 6 ASP N 1.0 100.0 180.0 PSI 5 5 A 5 CYS C A 6 ASP N A 6 ASP CA A 6 ASP C 1.0 -164.0 -114.0 PHI 6 6 A 6 ASP N A 6 ASP CA A 6 ASP C A 7 VAL N 1.0 100.0 180.0 PSI 7 7 A 6 ASP C A 7 VAL N A 7 VAL CA A 7 VAL C 1.0 -164.0 -114.0 PHI 8 8 A 7 VAL N A 7 VAL CA A 7 VAL C A 8 ASN N 1.0 100.0 180.0 PSI 9 9 A 10 GLU C A 11 THR N A 11 THR CA A 11 THR C 1.0 -164.0 -114.0 PHI 10 10 A 11 THR N A 11 THR CA A 11 THR C A 12 TYR N 1.0 100.0 180.0 PSI 11 11 A 11 THR C A 12 TYR N A 12 TYR CA A 12 TYR C 1.0 -164.0 -114.0 PHI 12 12 A 12 TYR N A 12 TYR CA A 12 TYR C A 13 THR N 1.0 100.0 180.0 PSI 13 13 A 12 TYR C A 13 THR N A 13 THR CA A 13 THR C 1.0 -164.0 -114.0 PHI 14 14 A 13 THR N A 13 THR CA A 13 THR C A 14 VAL N 1.0 100.0 180.0 PSI 15 15 A 13 THR C A 14 VAL N A 14 VAL CA A 14 VAL C 1.0 -164.0 -114.0 PHI 16 16 A 14 VAL N A 14 VAL CA A 14 VAL C A 15 SER N 1.0 100.0 180.0 PSI 17 17 A 31 ASN C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -164.0 -114.0 PHI 18 18 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 ARG N 1.0 100.0 180.0 PSI 19 19 A 32 CYS C A 33 ARG N A 33 ARG CA A 33 ARG C 1.0 -164.0 -114.0 PHI 20 20 A 33 ARG N A 33 ARG CA A 33 ARG C A 34 VAL N 1.0 100.0 180.0 PSI 21 21 A 33 ARG C A 34 VAL N A 34 VAL CA A 34 VAL C 1.0 -164.0 -114.0 PHI 22 22 A 34 VAL N A 34 VAL CA A 34 VAL C A 35 HIS N 1.0 100.0 180.0 PSI 23 23 A 34 VAL C A 35 HIS N A 35 HIS CA A 35 HIS C 1.0 -164.0 -114.0 PHI 24 24 A 35 HIS N A 35 HIS CA A 35 HIS C A 36 CYS N 1.0 100.0 180.0 PSI 25 25 A 35 HIS C A 36 CYS N A 36 CYS CA A 36 CYS C 1.0 -164.0 -114.0 PHI 26 26 A 36 CYS N A 36 CYS CA A 36 CYS C A 37 GLY N 1.0 100.0 180.0 PSI 27 27 A 16 SER C A 17 SER N A 17 SER CA A 17 SER C 1.0 -82.0 -32.0 PHI 28 28 A 17 SER N A 17 SER CA A 17 SER C A 18 GLU N 1.0 -77.0 -17.0 PSI 29 29 A 17 SER C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -82.0 -32.0 PHI 30 30 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 GLU N 1.0 -77.0 -17.0 PSI 31 31 A 18 GLU C A 19 GLU N A 19 GLU CA A 19 GLU C 1.0 -82.0 -32.0 PHI 32 32 A 19 GLU N A 19 GLU CA A 19 GLU C A 20 CYS N 1.0 -77.0 -17.0 PSI 33 33 A 19 GLU C A 20 CYS N A 20 CYS CA A 20 CYS C 1.0 -82.0 -32.0 PHI 34 34 A 20 CYS N A 20 CYS CA A 20 CYS C A 21 GLU N 1.0 -77.0 -17.0 PSI 35 35 A 20 CYS C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -82.0 -32.0 PHI 36 36 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 ARG N 1.0 -77.0 -17.0 PSI 37 37 A 21 GLU C A 22 ARG N A 22 ARG CA A 22 ARG C 1.0 -82.0 -32.0 PHI 38 38 A 22 ARG N A 22 ARG CA A 22 ARG C A 23 LEU N 1.0 -77.0 -17.0 PSI 39 39 A 22 ARG C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -82.0 -32.0 PHI 40 40 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 CYS N 1.0 -77.0 -17.0 PSI 41 41 A 23 LEU C A 24 CYS N A 24 CYS CA A 24 CYS C 1.0 -82.0 -32.0 PHI 42 42 A 24 CYS N A 24 CYS CA A 24 CYS C A 25 ARG N 1.0 -77.0 -17.0 PSI 43 43 A 24 CYS C A 25 ARG N A 25 ARG CA A 25 ARG C 1.0 -82.0 -32.0 PHI 44 44 A 25 ARG N A 25 ARG CA A 25 ARG C A 26 LYS N 1.0 -77.0 -17.0 PSI 45 45 A 25 ARG C A 26 LYS N A 26 LYS CA A 26 LYS C 1.0 -82.0 -32.0 PHI 46 46 A 26 LYS N A 26 LYS CA A 26 LYS C A 27 LEU N 1.0 -77.0 -17.0 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 2 loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 6983 'not observed' 2 Hz 1H 6983 'not observed' 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_unit _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width _nef_spectrum_dimension.folding 1 Hz 1H 6983 'not observed' 2 ppm 1H 6983 'not observed' 3 ppm 15N 1500 'not observed' stop_ save_