data_nef_c17719_2leo 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 13 CYS SG 1 48 CYS SG 1 26 CYS SG 1 45 CYS SG 1 34 CYS SG 1 66 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 20 SER start . . 2 A 21 GLU middle . . 3 A 22 ALA middle . . 4 A 23 ALA middle . . 5 A 24 SER middle . . 6 A 25 LEU middle . . 7 A 26 SER middle . . 8 A 27 PRO middle . false 9 A 28 LYS middle . . 10 A 29 LYS middle . . 11 A 30 VAL middle . . 12 A 31 ASP middle . . 13 A 32 CYS middle -HG . 14 A 33 SER middle . . 15 A 34 ILE middle . . 16 A 35 TYR middle . . 17 A 36 LYS middle . . 18 A 37 LYS middle . . 19 A 38 TYR middle . . 20 A 39 PRO middle . false 21 A 40 VAL middle . . 22 A 41 VAL middle . . 23 A 42 ALA middle . . 24 A 43 ILE middle . . 25 A 44 PRO middle . false 26 A 45 CYS middle -HG . 27 A 46 PRO middle . false 28 A 47 ILE middle . . 29 A 48 THR middle . . 30 A 49 TYR middle . . 31 A 50 LEU middle . . 32 A 51 PRO middle . false 33 A 52 VAL middle . . 34 A 53 CYS middle -HG . 35 A 54 GLY middle . false 36 A 55 SER middle . . 37 A 56 ASP middle . . 38 A 57 TYR middle . . 39 A 58 ILE middle . . 40 A 59 THR middle . . 41 A 60 TYR middle . . 42 A 61 GLY middle . false 43 A 62 ASN middle . . 44 A 63 GLU middle . . 45 A 64 CYS middle -HG . 46 A 65 HIS middle . . 47 A 66 LEU middle . . 48 A 67 CYS middle -HG . 49 A 68 THR middle . . 50 A 69 GLU middle . . 51 A 70 SER middle . . 52 A 71 LEU middle . . 53 A 72 LYS middle . . 54 A 73 SER middle . . 55 A 74 ASN middle . . 56 A 75 GLY middle . false 57 A 76 ARG middle . . 58 A 77 VAL middle . . 59 A 78 GLN middle . . 60 A 79 PHE middle . . 61 A 80 LEU middle . . 62 A 81 HIS middle . . 63 A 82 ASP middle . . 64 A 83 GLY middle . false 65 A 84 SER middle . . 66 A 85 CYS end -HG . 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 20 SER HA H 1 4.18 0.02 A 20 SER HB2 H 1 3.98 0.02 A 20 SER HB3 H 1 3.98 0.02 A 20 SER C C 13 170.7 0.3 A 20 SER CA C 13 57.3 0.3 A 20 SER CB C 13 63.1 0.3 A 21 GLU H H 1 8.86 0.02 A 21 GLU HA H 1 4.39 0.02 A 21 GLU HBy H 1 2.1 0.02 A 21 GLU HBx H 1 1.96 0.02 A 21 GLU HG2 H 1 2.33 0.02 A 21 GLU HG3 H 1 2.33 0.02 A 21 GLU C C 13 176.1 0.3 A 21 GLU CA C 13 56.2 0.3 A 21 GLU CB C 13 30.3 0.3 A 21 GLU CG C 13 35.7 0.3 A 21 GLU N N 15 121.8 0.3 A 22 ALA H H 1 8.55 0.02 A 22 ALA HA H 1 4.27 0.02 A 22 ALA HB% H 1 1.39 0.02 A 22 ALA C C 13 177.7 0.3 A 22 ALA CA C 13 52.6 0.3 A 22 ALA CB C 13 19.1 0.3 A 22 ALA N N 15 126 0.3 A 23 ALA H H 1 8.4 0.02 A 23 ALA HA H 1 4.31 0.02 A 23 ALA HB% H 1 1.4 0.02 A 23 ALA C C 13 177.9 0.3 A 23 ALA CA C 13 52.6 0.3 A 23 ALA CB C 13 19.1 0.3 A 23 ALA N N 15 123.6 0.3 A 24 SER H H 1 8.3 0.02 A 24 SER HA H 1 4.44 0.02 A 24 SER HB2 H 1 3.87 0.02 A 24 SER HB3 H 1 3.87 0.02 A 24 SER C C 13 174.5 0.3 A 24 SER CA C 13 58.2 0.3 A 24 SER CB C 13 63.8 0.3 A 24 SER N N 15 115.1 0.3 A 25 LEU H H 1 8.32 0.02 A 25 LEU HA H 1 4.43 0.02 A 25 LEU HB2 H 1 1.64 0.02 A 25 LEU HB3 H 1 1.64 0.02 A 25 LEU HDx% H 1 0.93 0.02 A 25 LEU HDy% H 1 0.87 0.02 A 25 LEU HG H 1 1.64 0.02 A 25 LEU C C 13 177.3 0.3 A 25 LEU CA C 13 55.1 0.3 A 25 LEU CB C 13 42.4 0.3 A 25 LEU CDy C 13 24.9 0.3 A 25 LEU CDx C 13 23.3 0.3 A 25 LEU CG C 13 27 0.3 A 25 LEU N N 15 124.2 0.3 A 26 SER H H 1 8.33 0.02 A 26 SER HA H 1 4.78 0.02 A 26 SER HB2 H 1 3.85 0.02 A 26 SER HB3 H 1 3.85 0.02 A 26 SER C C 13 172.5 0.3 A 26 SER CA C 13 56.4 0.3 A 26 SER CB C 13 63.3 0.3 A 26 SER N N 15 118.1 0.3 A 27 PRO HA H 1 4.47 0.02 A 27 PRO HBx H 1 1.95 0.02 A 27 PRO HBy H 1 2.35 0.02 A 27 PRO HDx H 1 3.74 0.02 A 27 PRO HDy H 1 3.82 0.02 A 27 PRO HG2 H 1 2.04 0.02 A 27 PRO HG3 H 1 2.05 0.02 A 27 PRO C C 13 176.6 0.3 A 27 PRO CA C 13 63 0.3 A 27 PRO CB C 13 32.4 0.3 A 27 PRO CD C 13 50.8 0.3 A 27 PRO CG C 13 27.3 0.3 A 28 LYS H H 1 8.41 0.02 A 28 LYS HA H 1 4.22 0.02 A 28 LYS HB2 H 1 1.75 0.02 A 28 LYS HB3 H 1 1.75 0.02 A 28 LYS HD2 H 1 1.61 0.02 A 28 LYS HD3 H 1 1.61 0.02 A 28 LYS HEx H 1 2.73 0.02 A 28 LYS HEy H 1 2.79 0.02 A 28 LYS HGy H 1 1.32 0.02 A 28 LYS HGx H 1 1.16 0.02 A 28 LYS C C 13 175.6 0.3 A 28 LYS CA C 13 56.5 0.3 A 28 LYS CB C 13 33.1 0.3 A 28 LYS CD C 13 29.2 0.3 A 28 LYS CE C 13 42.1 0.3 A 28 LYS CG C 13 24.8 0.3 A 28 LYS N N 15 122.6 0.3 A 29 LYS H H 1 8.29 0.02 A 29 LYS HA H 1 4.32 0.02 A 29 LYS HBx H 1 1.64 0.02 A 29 LYS HBy H 1 1.68 0.02 A 29 LYS HD2 H 1 1.66 0.02 A 29 LYS HD3 H 1 1.66 0.02 A 29 LYS HE2 H 1 2.98 0.02 A 29 LYS HE3 H 1 2.98 0.02 A 29 LYS HGx H 1 1.33 0.02 A 29 LYS HGy H 1 1.38 0.02 A 29 LYS C C 13 175.8 0.3 A 29 LYS CA C 13 55.3 0.3 A 29 LYS CB C 13 33.9 0.3 A 29 LYS CD C 13 29 0.3 A 29 LYS CE C 13 42.2 0.3 A 29 LYS CG C 13 24.7 0.3 A 29 LYS N N 15 123.7 0.3 A 30 VAL H H 1 8.01 0.02 A 30 VAL HA H 1 3.83 0.02 A 30 VAL HB H 1 1.48 0.02 A 30 VAL HGx% H 1 0.27 0.02 A 30 VAL HGy% H 1 0.66 0.02 A 30 VAL C C 13 174.4 0.3 A 30 VAL CA C 13 62.2 0.3 A 30 VAL CB C 13 33.4 0.3 A 30 VAL CGx C 13 21 0.3 A 30 VAL CGy C 13 21 0.3 A 30 VAL N N 15 122.8 0.3 A 31 ASP H H 1 8.58 0.02 A 31 ASP HA H 1 4.82 0.02 A 31 ASP HBy H 1 2.87 0.02 A 31 ASP HBx H 1 2.55 0.02 A 31 ASP C C 13 176.8 0.3 A 31 ASP CA C 13 52.2 0.3 A 31 ASP CB C 13 41 0.3 A 31 ASP N N 15 126.2 0.3 A 32 CYS H H 1 9.07 0.02 A 32 CYS HA H 1 5.05 0.02 A 32 CYS HBx H 1 2.95 0.02 A 32 CYS HBy H 1 3.34 0.02 A 32 CYS C C 13 176.8 0.3 A 32 CYS CA C 13 53.4 0.3 A 32 CYS CB C 13 33.4 0.3 A 32 CYS N N 15 121.6 0.3 A 33 SER H H 1 8.76 0.02 A 33 SER HA H 1 4.03 0.02 A 33 SER HB2 H 1 3.94 0.02 A 33 SER HB3 H 1 3.94 0.02 A 33 SER C C 13 177.1 0.3 A 33 SER CA C 13 62.4 0.3 A 33 SER CB C 13 62.6 0.3 A 33 SER N N 15 118 0.3 A 34 ILE H H 1 7.2 0.02 A 34 ILE HA H 1 3.99 0.02 A 34 ILE HB H 1 1.68 0.02 A 34 ILE HD1% H 1 0.63 0.02 A 34 ILE HG1x H 1 0.38 0.02 A 34 ILE HG1y H 1 0.92 0.02 A 34 ILE HG2% H 1 0.62 0.02 A 34 ILE C C 13 176.6 0.3 A 34 ILE CA C 13 63.5 0.3 A 34 ILE CB C 13 37.4 0.3 A 34 ILE CD1 C 13 13.8 0.3 A 34 ILE CG1 C 13 26.3 0.3 A 34 ILE CG2 C 13 17 0.3 A 34 ILE N N 15 117.7 0.3 A 35 TYR H H 1 7.47 0.02 A 35 TYR HA H 1 4.61 0.02 A 35 TYR HBx H 1 2.73 0.02 A 35 TYR HBy H 1 3.39 0.02 A 35 TYR HD1 H 1 7.01 0.02 A 35 TYR HD2 H 1 7.01 0.02 A 35 TYR HE1 H 1 6.79 0.02 A 35 TYR HE2 H 1 6.79 0.02 A 35 TYR C C 13 176.3 0.3 A 35 TYR CA C 13 58.8 0.3 A 35 TYR CB C 13 37.6 0.3 A 35 TYR CD1 C 13 133.2 0.3 A 35 TYR CD2 C 13 133.2 0.3 A 35 TYR CE1 C 13 118.1 0.3 A 35 TYR CE2 C 13 118.1 0.3 A 35 TYR N N 15 118 0.3 A 36 LYS H H 1 7.59 0.02 A 36 LYS HA H 1 4.23 0.02 A 36 LYS HBx H 1 1.85 0.02 A 36 LYS HBy H 1 1.99 0.02 A 36 LYS HD2 H 1 1.73 0.02 A 36 LYS HD3 H 1 1.73 0.02 A 36 LYS HE2 H 1 2.98 0.02 A 36 LYS HE3 H 1 2.98 0.02 A 36 LYS HGx H 1 1.55 0.02 A 36 LYS HGy H 1 1.58 0.02 A 36 LYS C C 13 176.3 0.3 A 36 LYS CA C 13 58.7 0.3 A 36 LYS CB C 13 32.3 0.3 A 36 LYS CD C 13 29.4 0.3 A 36 LYS CE C 13 41.9 0.3 A 36 LYS CG C 13 26.1 0.3 A 36 LYS N N 15 119.2 0.3 A 37 LYS H H 1 7.41 0.02 A 37 LYS HA H 1 4.15 0.02 A 37 LYS HB2 H 1 1.57 0.02 A 37 LYS HB3 H 1 1.57 0.02 A 37 LYS HD2 H 1 1.45 0.02 A 37 LYS HD3 H 1 1.45 0.02 A 37 LYS HE2 H 1 2.78 0.02 A 37 LYS HE3 H 1 2.78 0.02 A 37 LYS HGx H 1 0.53 0.02 A 37 LYS HGy H 1 1.03 0.02 A 37 LYS C C 13 175.5 0.3 A 37 LYS CA C 13 56.7 0.3 A 37 LYS CB C 13 31.7 0.3 A 37 LYS CD C 13 29.2 0.3 A 37 LYS CE C 13 41.9 0.3 A 37 LYS CG C 13 23.4 0.3 A 37 LYS N N 15 115.1 0.3 A 38 TYR H H 1 7.39 0.02 A 38 TYR HA H 1 4.81 0.02 A 38 TYR HBy H 1 3.14 0.02 A 38 TYR HBx H 1 2.77 0.02 A 38 TYR HD1 H 1 7.31 0.02 A 38 TYR HD2 H 1 7.31 0.02 A 38 TYR HE1 H 1 6.9 0.02 A 38 TYR HE2 H 1 6.9 0.02 A 38 TYR C C 13 173.6 0.3 A 38 TYR CA C 13 56.5 0.3 A 38 TYR CB C 13 38.2 0.3 A 38 TYR CD1 C 13 133.6 0.3 A 38 TYR CD2 C 13 133.6 0.3 A 38 TYR CE1 C 13 118.3 0.3 A 38 TYR CE2 C 13 118.3 0.3 A 38 TYR N N 15 120.2 0.3 A 39 PRO HA H 1 4.58 0.02 A 39 PRO HBy H 1 2.41 0.02 A 39 PRO HBx H 1 1.82 0.02 A 39 PRO HDx H 1 3.73 0.02 A 39 PRO HDy H 1 3.99 0.02 A 39 PRO HGx H 1 2.1 0.02 A 39 PRO HGy H 1 2.17 0.02 A 39 PRO C C 13 179 0.3 A 39 PRO CA C 13 63.1 0.3 A 39 PRO CB C 13 31.7 0.3 A 39 PRO CD C 13 50.3 0.3 A 39 PRO CG C 13 28.1 0.3 A 40 VAL H H 1 8.4 0.02 A 40 VAL HA H 1 4.02 0.02 A 40 VAL HB H 1 2.18 0.02 A 40 VAL HGx% H 1 1.08 0.02 A 40 VAL HGy% H 1 1.01 0.02 A 40 VAL C C 13 176.4 0.3 A 40 VAL CA C 13 64.7 0.3 A 40 VAL CB C 13 32 0.3 A 40 VAL CGy C 13 22.2 0.3 A 40 VAL CGx C 13 21.1 0.3 A 40 VAL N N 15 123.2 0.3 A 41 VAL H H 1 7.14 0.02 A 41 VAL HA H 1 4.21 0.02 A 41 VAL HB H 1 2.39 0.02 A 41 VAL HGx% H 1 0.98 0.02 A 41 VAL HGy% H 1 0.88 0.02 A 41 VAL C C 13 175.6 0.3 A 41 VAL CA C 13 61.5 0.3 A 41 VAL CB C 13 31.8 0.3 A 41 VAL CGy C 13 21.3 0.3 A 41 VAL CGx C 13 18.7 0.3 A 41 VAL N N 15 110.6 0.3 A 42 ALA H H 1 8.28 0.02 A 42 ALA HA H 1 4.49 0.02 A 42 ALA HB% H 1 1.26 0.02 A 42 ALA C C 13 175.7 0.3 A 42 ALA CA C 13 51.4 0.3 A 42 ALA CB C 13 19.1 0.3 A 42 ALA N N 15 126.6 0.3 A 43 ILE H H 1 7.97 0.02 A 43 ILE HA H 1 3.84 0.02 A 43 ILE HB H 1 1.54 0.02 A 43 ILE HD1% H 1 0.93 0.02 A 43 ILE HG1y H 1 1.9 0.02 A 43 ILE HG1x H 1 1.01 0.02 A 43 ILE HG2% H 1 0.54 0.02 A 43 ILE C C 13 174.9 0.3 A 43 ILE CA C 13 59.5 0.3 A 43 ILE CB C 13 39 0.3 A 43 ILE CD1 C 13 14.5 0.3 A 43 ILE CG1 C 13 28.3 0.3 A 43 ILE CG2 C 13 18 0.3 A 43 ILE N N 15 123.3 0.3 A 44 PRO HA H 1 4.48 0.02 A 44 PRO HB2 H 1 1.91 0.02 A 44 PRO HB3 H 1 1.91 0.02 A 44 PRO HDx H 1 2.59 0.02 A 44 PRO HDy H 1 3.36 0.02 A 44 PRO HGy H 1 1.88 0.02 A 44 PRO HGx H 1 1.78 0.02 A 44 PRO C C 13 175.9 0.3 A 44 PRO CA C 13 61.8 0.3 A 44 PRO CB C 13 30.4 0.3 A 44 PRO CD C 13 49.9 0.3 A 44 PRO CG C 13 27.1 0.3 A 45 CYS H H 1 8.29 0.02 A 45 CYS HA H 1 5.39 0.02 A 45 CYS HBx H 1 2.24 0.02 A 45 CYS HBy H 1 2.51 0.02 A 45 CYS CA C 13 49.9 0.3 A 45 CYS CB C 13 35.4 0.3 A 45 CYS N N 15 120.5 0.3 A 46 PRO HA H 1 4.65 0.02 A 46 PRO HBy H 1 2.5 0.02 A 46 PRO HBx H 1 1.93 0.02 A 46 PRO HDy H 1 4 0.02 A 46 PRO HDx H 1 3.36 0.02 A 46 PRO HGx H 1 2.08 0.02 A 46 PRO HGy H 1 2.11 0.02 A 46 PRO C C 13 177 0.3 A 46 PRO CA C 13 62.4 0.3 A 46 PRO CB C 13 32.9 0.3 A 46 PRO CD C 13 50.9 0.3 A 46 PRO CG C 13 27.4 0.3 A 47 ILE H H 1 8.59 0.02 A 47 ILE HA H 1 4.36 0.02 A 47 ILE HB H 1 2.11 0.02 A 47 ILE HD1% H 1 0.91 0.02 A 47 ILE HG1x H 1 1.3 0.02 A 47 ILE HG1y H 1 1.38 0.02 A 47 ILE HG2% H 1 1 0.02 A 47 ILE C C 13 176.2 0.3 A 47 ILE CA C 13 61.3 0.3 A 47 ILE CB C 13 38 0.3 A 47 ILE CD1 C 13 13.9 0.3 A 47 ILE CG1 C 13 27 0.3 A 47 ILE CG2 C 13 18.1 0.3 A 47 ILE N N 15 116.6 0.3 A 48 THR H H 1 7.13 0.02 A 48 THR HA H 1 3.89 0.02 A 48 THR HB H 1 3.89 0.02 A 48 THR HG2% H 1 1.26 0.02 A 48 THR C C 13 173.2 0.3 A 48 THR CA C 13 62.6 0.3 A 48 THR CB C 13 70 0.3 A 48 THR CG2 C 13 22.6 0.3 A 48 THR N N 15 114.7 0.3 A 49 TYR H H 1 9.02 0.02 A 49 TYR HA H 1 4.96 0.02 A 49 TYR HBx H 1 2.96 0.02 A 49 TYR HBy H 1 3.12 0.02 A 49 TYR HD1 H 1 7.24 0.02 A 49 TYR HD2 H 1 7.24 0.02 A 49 TYR HE1 H 1 6.78 0.02 A 49 TYR HE2 H 1 6.78 0.02 A 49 TYR C C 13 173.9 0.3 A 49 TYR CA C 13 57.6 0.3 A 49 TYR CB C 13 38 0.3 A 49 TYR CD1 C 13 134.1 0.3 A 49 TYR CD2 C 13 134.1 0.3 A 49 TYR CE1 C 13 117.9 0.3 A 49 TYR CE2 C 13 117.9 0.3 A 49 TYR N N 15 129.1 0.3 A 50 LEU H H 1 8.6 0.02 A 50 LEU HA H 1 4.56 0.02 A 50 LEU HBx H 1 1.4 0.02 A 50 LEU HBy H 1 1.64 0.02 A 50 LEU HDx% H 1 0.94 0.02 A 50 LEU HDy% H 1 1.48 0.02 A 50 LEU C C 13 172.2 0.3 A 50 LEU CA C 13 52.6 0.3 A 50 LEU CB C 13 42.9 0.3 A 50 LEU CDx C 13 24.7 0.3 A 50 LEU CDy C 13 26.8 0.3 A 50 LEU N N 15 131.7 0.3 A 51 PRO HA H 1 4.44 0.02 A 51 PRO HBy H 1 1.69 0.02 A 51 PRO HBx H 1 1.37 0.02 A 51 PRO HDx H 1 1.81 0.02 A 51 PRO HDy H 1 3.39 0.02 A 51 PRO HGx H 1 1.63 0.02 A 51 PRO HGy H 1 1.67 0.02 A 51 PRO C C 13 176.8 0.3 A 51 PRO CA C 13 62.7 0.3 A 51 PRO CB C 13 32.9 0.3 A 51 PRO CD C 13 49.9 0.3 A 51 PRO CG C 13 27.3 0.3 A 52 VAL H H 1 8.23 0.02 A 52 VAL HA H 1 4.72 0.02 A 52 VAL HB H 1 2.14 0.02 A 52 VAL HGx% H 1 1.17 0.02 A 52 VAL HGy% H 1 0.8 0.02 A 52 VAL C C 13 172.6 0.3 A 52 VAL CA C 13 59.6 0.3 A 52 VAL CB C 13 35.7 0.3 A 52 VAL CGy C 13 23.1 0.3 A 52 VAL CGx C 13 21.2 0.3 A 52 VAL N N 15 110.7 0.3 A 53 CYS H H 1 8.55 0.02 A 53 CYS HA H 1 5.09 0.02 A 53 CYS HBx H 1 1.17 0.02 A 53 CYS HBy H 1 2.34 0.02 A 53 CYS C C 13 175.6 0.3 A 53 CYS CA C 13 54.5 0.3 A 53 CYS CB C 13 39.3 0.3 A 53 CYS N N 15 122.2 0.3 A 54 GLY H H 1 9.06 0.02 A 54 GLY HAx H 1 4.11 0.02 A 54 GLY HAy H 1 4.61 0.02 A 54 GLY C C 13 174.5 0.3 A 54 GLY CA C 13 44.7 0.3 A 54 GLY N N 15 115.9 0.3 A 55 SER H H 1 9.27 0.02 A 55 SER HA H 1 3.76 0.02 A 55 SER HBx H 1 3.57 0.02 A 55 SER HBy H 1 4.18 0.02 A 55 SER C C 13 173.3 0.3 A 55 SER CA C 13 60.4 0.3 A 55 SER CB C 13 62.3 0.3 A 55 SER N N 15 113.4 0.3 A 56 ASP H H 1 9.15 0.02 A 56 ASP HA H 1 4.34 0.02 A 56 ASP HBy H 1 2.96 0.02 A 56 ASP HBx H 1 2.54 0.02 A 56 ASP C C 13 175.6 0.3 A 56 ASP CA C 13 53.1 0.3 A 56 ASP CB C 13 39.6 0.3 A 56 ASP N N 15 121.1 0.3 A 57 TYR H H 1 8.63 0.02 A 57 TYR HA H 1 4.01 0.02 A 57 TYR HBy H 1 3.25 0.02 A 57 TYR HBx H 1 3.07 0.02 A 57 TYR HD1 H 1 6.98 0.02 A 57 TYR HD2 H 1 6.98 0.02 A 57 TYR HE1 H 1 6.8 0.02 A 57 TYR HE2 H 1 6.8 0.02 A 57 TYR C C 13 174.7 0.3 A 57 TYR CA C 13 61 0.3 A 57 TYR CB C 13 34.3 0.3 A 57 TYR CD1 C 13 132.8 0.3 A 57 TYR CD2 C 13 132.8 0.3 A 57 TYR CE1 C 13 118.1 0.3 A 57 TYR CE2 C 13 118.1 0.3 A 57 TYR N N 15 116.1 0.3 A 58 ILE H H 1 7.48 0.02 A 58 ILE HA H 1 4.01 0.02 A 58 ILE HB H 1 1.94 0.02 A 58 ILE HD1% H 1 0.72 0.02 A 58 ILE HG1x H 1 0.96 0.02 A 58 ILE HG1y H 1 1.28 0.02 A 58 ILE HG2% H 1 0.06 0.02 A 58 ILE C C 13 174.9 0.3 A 58 ILE CA C 13 59.3 0.3 A 58 ILE CB C 13 37.6 0.3 A 58 ILE CD1 C 13 11.2 0.3 A 58 ILE CG1 C 13 27.8 0.3 A 58 ILE CG2 C 13 15.8 0.3 A 58 ILE N N 15 120.7 0.3 A 59 THR H H 1 8.09 0.02 A 59 THR HA H 1 4.67 0.02 A 59 THR HB H 1 4 0.02 A 59 THR HG2% H 1 1.13 0.02 A 59 THR C C 13 174.8 0.3 A 59 THR CA C 13 62.7 0.3 A 59 THR CB C 13 68.9 0.3 A 59 THR CG2 C 13 23.5 0.3 A 59 THR N N 15 123.7 0.3 A 60 TYR H H 1 9.55 0.02 A 60 TYR HA H 1 4.41 0.02 A 60 TYR HBx H 1 2.64 0.02 A 60 TYR HBy H 1 2.87 0.02 A 60 TYR HD1 H 1 6.92 0.02 A 60 TYR HD2 H 1 6.92 0.02 A 60 TYR C C 13 177.2 0.3 A 60 TYR CA C 13 58.2 0.3 A 60 TYR CB C 13 41.8 0.3 A 60 TYR CD1 C 13 132.6 0.3 A 60 TYR CD2 C 13 132.6 0.3 A 60 TYR N N 15 129.7 0.3 A 61 GLY H H 1 9.31 0.02 A 61 GLY HAx H 1 3.71 0.02 A 61 GLY HAy H 1 4.03 0.02 A 61 GLY C C 13 172.8 0.3 A 61 GLY CA C 13 47.7 0.3 A 61 GLY N N 15 107.8 0.3 A 62 ASN H H 1 7.38 0.02 A 62 ASN HA H 1 4.95 0.02 A 62 ASN HBy H 1 3.63 0.02 A 62 ASN HBx H 1 3.13 0.02 A 62 ASN HD2x H 1 6.19 0.02 A 62 ASN HD2y H 1 8.05 0.02 A 62 ASN C C 13 176.7 0.3 A 62 ASN CA C 13 52.5 0.3 A 62 ASN CB C 13 39.9 0.3 A 62 ASN N N 15 104.6 0.3 A 62 ASN ND2 N 15 115 0.3 A 63 GLU H H 1 9.31 0.02 A 63 GLU HA H 1 3.89 0.02 A 63 GLU HBx H 1 2.1 0.02 A 63 GLU HBy H 1 2.18 0.02 A 63 GLU HGx H 1 2.24 0.02 A 63 GLU HGy H 1 2.33 0.02 A 63 GLU C C 13 176.1 0.3 A 63 GLU CA C 13 59.7 0.3 A 63 GLU CB C 13 29.8 0.3 A 63 GLU CG C 13 36.5 0.3 A 63 GLU N N 15 118.3 0.3 A 64 CYS H H 1 8.27 0.02 A 64 CYS HA H 1 3.37 0.02 A 64 CYS HBx H 1 2.91 0.02 A 64 CYS HBy H 1 2.98 0.02 A 64 CYS C C 13 177.7 0.3 A 64 CYS CA C 13 60.1 0.3 A 64 CYS CB C 13 35.4 0.3 A 64 CYS N N 15 121.4 0.3 A 65 HIS H H 1 8.12 0.02 A 65 HIS HA H 1 4.38 0.02 A 65 HIS HBx H 1 3.31 0.02 A 65 HIS HBy H 1 3.66 0.02 A 65 HIS HD2 H 1 7.12 0.02 A 65 HIS HE1 H 1 8.53 0.02 A 65 HIS C C 13 177.8 0.3 A 65 HIS CA C 13 59.7 0.3 A 65 HIS CB C 13 29.5 0.3 A 65 HIS CD2 C 13 120.6 0.3 A 65 HIS CE1 C 13 138 0.3 A 65 HIS N N 15 121 0.3 A 66 LEU H H 1 7.63 0.02 A 66 LEU HA H 1 2.85 0.02 A 66 LEU HBy H 1 1.73 0.02 A 66 LEU HBx H 1 1.22 0.02 A 66 LEU HDx% H 1 0.62 0.02 A 66 LEU HDy% H 1 0.73 0.02 A 66 LEU HG H 1 1.15 0.02 A 66 LEU C C 13 178.3 0.3 A 66 LEU CA C 13 58.5 0.3 A 66 LEU CB C 13 40.6 0.3 A 66 LEU CDy C 13 25.6 0.3 A 66 LEU CDx C 13 25.4 0.3 A 66 LEU CG C 13 27.6 0.3 A 66 LEU N N 15 122.3 0.3 A 67 CYS H H 1 8.96 0.02 A 67 CYS HA H 1 4.44 0.02 A 67 CYS HBy H 1 2.65 0.02 A 67 CYS HBx H 1 2.52 0.02 A 67 CYS C C 13 176.7 0.3 A 67 CYS CA C 13 56.2 0.3 A 67 CYS CB C 13 35.1 0.3 A 67 CYS N N 15 117.5 0.3 A 68 THR H H 1 8.33 0.02 A 68 THR HA H 1 3.8 0.02 A 68 THR HB H 1 4.45 0.02 A 68 THR HG2% H 1 1.29 0.02 A 68 THR C C 13 175.4 0.3 A 68 THR CA C 13 67.6 0.3 A 68 THR CB C 13 68.8 0.3 A 68 THR CG2 C 13 20.8 0.3 A 68 THR N N 15 118 0.3 A 69 GLU H H 1 7.07 0.02 A 69 GLU HA H 1 4.26 0.02 A 69 GLU HBx H 1 1.82 0.02 A 69 GLU HBy H 1 2.06 0.02 A 69 GLU HGx H 1 2.24 0.02 A 69 GLU HGy H 1 2.96 0.02 A 69 GLU C C 13 180 0.3 A 69 GLU CA C 13 58.2 0.3 A 69 GLU CB C 13 28.6 0.3 A 69 GLU CG C 13 34.6 0.3 A 69 GLU N N 15 121.3 0.3 A 70 SER H H 1 9.04 0.02 A 70 SER HA H 1 4.03 0.02 A 70 SER HBx H 1 3.75 0.02 A 70 SER HBy H 1 4.17 0.02 A 70 SER C C 13 177.8 0.3 A 70 SER CA C 13 62.4 0.3 A 70 SER CB C 13 64.9 0.3 A 70 SER N N 15 117.1 0.3 A 71 LEU H H 1 8.54 0.02 A 71 LEU HA H 1 4.2 0.02 A 71 LEU HBx H 1 1.5 0.02 A 71 LEU HBy H 1 1.91 0.02 A 71 LEU HDx% H 1 0.89 0.02 A 71 LEU HDy% H 1 0.84 0.02 A 71 LEU HG H 1 1.88 0.02 A 71 LEU C C 13 181.4 0.3 A 71 LEU CA C 13 57.9 0.3 A 71 LEU CB C 13 41.3 0.3 A 71 LEU CDy C 13 25.6 0.3 A 71 LEU CDx C 13 22.7 0.3 A 71 LEU CG C 13 27.6 0.3 A 71 LEU N N 15 119.1 0.3 A 72 LYS H H 1 8.38 0.02 A 72 LYS HA H 1 4.04 0.02 A 72 LYS HB2 H 1 1.91 0.02 A 72 LYS HB3 H 1 1.91 0.02 A 72 LYS HD2 H 1 1.67 0.02 A 72 LYS HD3 H 1 1.67 0.02 A 72 LYS HE2 H 1 2.9 0.02 A 72 LYS HE3 H 1 2.9 0.02 A 72 LYS HGx H 1 1.44 0.02 A 72 LYS HGy H 1 1.66 0.02 A 72 LYS C C 13 177.6 0.3 A 72 LYS CA C 13 59.8 0.3 A 72 LYS CB C 13 33.1 0.3 A 72 LYS CD C 13 29.7 0.3 A 72 LYS CE C 13 42 0.3 A 72 LYS CG C 13 25.8 0.3 A 72 LYS N N 15 121.7 0.3 A 73 SER H H 1 8.15 0.02 A 73 SER HA H 1 4.6 0.02 A 73 SER HBx H 1 4.04 0.02 A 73 SER HBy H 1 4.36 0.02 A 73 SER C C 13 175.3 0.3 A 73 SER CA C 13 58.3 0.3 A 73 SER CB C 13 64.7 0.3 A 73 SER N N 15 111.3 0.3 A 74 ASN H H 1 8.07 0.02 A 74 ASN HA H 1 4.51 0.02 A 74 ASN HBx H 1 2.82 0.02 A 74 ASN HBy H 1 3.17 0.02 A 74 ASN HD2x H 1 6.91 0.02 A 74 ASN HD2y H 1 7.61 0.02 A 74 ASN C C 13 175.6 0.3 A 74 ASN CA C 13 54.5 0.3 A 74 ASN CB C 13 37.1 0.3 A 74 ASN N N 15 120 0.3 A 74 ASN ND2 N 15 112.5 0.3 A 75 GLY H H 1 8.97 0.02 A 75 GLY HAx H 1 3.42 0.02 A 75 GLY HAy H 1 4.12 0.02 A 75 GLY C C 13 174.7 0.3 A 75 GLY CA C 13 45 0.3 A 75 GLY N N 15 103.9 0.3 A 76 ARG H H 1 7.6 0.02 A 76 ARG HA H 1 4.04 0.02 A 76 ARG HBx H 1 1.82 0.02 A 76 ARG HBy H 1 1.97 0.02 A 76 ARG HDx H 1 3.29 0.02 A 76 ARG HDy H 1 3.36 0.02 A 76 ARG HE H 1 7.37 0.02 A 76 ARG HGx H 1 1.58 0.02 A 76 ARG HGy H 1 1.8 0.02 A 76 ARG C C 13 177.2 0.3 A 76 ARG CA C 13 59.2 0.3 A 76 ARG CB C 13 30.4 0.3 A 76 ARG CD C 13 43.1 0.3 A 76 ARG CG C 13 27.4 0.3 A 76 ARG N N 15 122.2 0.3 A 76 ARG NE N 15 83.1 0.3 A 77 VAL H H 1 7.34 0.02 A 77 VAL HA H 1 3.71 0.02 A 77 VAL HB H 1 1.42 0.02 A 77 VAL HGx% H 1 0.96 0.02 A 77 VAL HGy% H 1 0.74 0.02 A 77 VAL C C 13 174.5 0.3 A 77 VAL CA C 13 63.2 0.3 A 77 VAL CB C 13 32.8 0.3 A 77 VAL CGy C 13 21.8 0.3 A 77 VAL CGx C 13 20.7 0.3 A 77 VAL N N 15 117 0.3 A 78 GLN H H 1 8.51 0.02 A 78 GLN HA H 1 4.48 0.02 A 78 GLN HBx H 1 2.19 0.02 A 78 GLN HBy H 1 2.38 0.02 A 78 GLN HE21 H 1 6.89 0.02 A 78 GLN HE22 H 1 7.77 0.02 A 78 GLN HG2 H 1 2.33 0.02 A 78 GLN HG3 H 1 2.33 0.02 A 78 GLN C C 13 174.9 0.3 A 78 GLN CA C 13 52.8 0.3 A 78 GLN CB C 13 32.6 0.3 A 78 GLN CG C 13 32.7 0.3 A 78 GLN N N 15 125 0.3 A 78 GLN NE2 N 15 112.9 0.3 A 79 PHE H H 1 9.05 0.02 A 79 PHE HA H 1 3.95 0.02 A 79 PHE HBx H 1 2.84 0.02 A 79 PHE HBy H 1 3.06 0.02 A 79 PHE HD1 H 1 6.93 0.02 A 79 PHE HD2 H 1 6.93 0.02 A 79 PHE HE1 H 1 7.23 0.02 A 79 PHE HE2 H 1 7.23 0.02 A 79 PHE HZ H 1 7.32 0.02 A 79 PHE C C 13 173.9 0.3 A 79 PHE CA C 13 60.3 0.3 A 79 PHE CB C 13 39.9 0.3 A 79 PHE CD1 C 13 131.4 0.3 A 79 PHE CD2 C 13 131.4 0.3 A 79 PHE CE1 C 13 131.6 0.3 A 79 PHE CE2 C 13 131.6 0.3 A 79 PHE CZ C 13 131.6 0.3 A 79 PHE N N 15 121.4 0.3 A 80 LEU H H 1 8.27 0.02 A 80 LEU HA H 1 4.52 0.02 A 80 LEU HBx H 1 0.54 0.02 A 80 LEU HBy H 1 1.27 0.02 A 80 LEU HDx% H 1 0.66 0.02 A 80 LEU HDy% H 1 0.84 0.02 A 80 LEU HG H 1 1.21 0.02 A 80 LEU C C 13 175.7 0.3 A 80 LEU CA C 13 56 0.3 A 80 LEU CB C 13 44.4 0.3 A 80 LEU CDy C 13 25.9 0.3 A 80 LEU CDx C 13 23.5 0.3 A 80 LEU CG C 13 27 0.3 A 80 LEU N N 15 128.9 0.3 A 81 HIS H H 1 6.86 0.02 A 81 HIS HA H 1 4.37 0.02 A 81 HIS HBx H 1 3.2 0.02 A 81 HIS HBy H 1 3.42 0.02 A 81 HIS HD2 H 1 7.07 0.02 A 81 HIS HE1 H 1 8.77 0.02 A 81 HIS C C 13 172 0.3 A 81 HIS CA C 13 55.1 0.3 A 81 HIS CB C 13 29.7 0.3 A 81 HIS CD2 C 13 121.1 0.3 A 81 HIS CE1 C 13 137.4 0.3 A 81 HIS N N 15 107.5 0.3 A 82 ASP H H 1 9.33 0.02 A 82 ASP HA H 1 4.9 0.02 A 82 ASP HBx H 1 2.81 0.02 A 82 ASP HBy H 1 2.85 0.02 A 82 ASP C C 13 178.5 0.3 A 82 ASP CA C 13 55.6 0.3 A 82 ASP CB C 13 42.4 0.3 A 82 ASP N N 15 120.9 0.3 A 83 GLY H H 1 8.33 0.02 A 83 GLY HAx H 1 3.62 0.02 A 83 GLY HAy H 1 4.38 0.02 A 83 GLY C C 13 170.4 0.3 A 83 GLY CA C 13 44.9 0.3 A 83 GLY N N 15 114.5 0.3 A 84 SER H H 1 7.87 0.02 A 84 SER HA H 1 4.14 0.02 A 84 SER HBx H 1 3.8 0.02 A 84 SER HBy H 1 3.9 0.02 A 84 SER C C 13 176.4 0.3 A 84 SER CA C 13 58.3 0.3 A 84 SER CB C 13 63.9 0.3 A 84 SER N N 15 107.4 0.3 A 85 CYS H H 1 8.42 0.02 A 85 CYS HA H 1 4.32 0.02 A 85 CYS HBx H 1 2.58 0.02 A 85 CYS HBy H 1 3.12 0.02 A 85 CYS CA C 13 56.2 0.3 A 85 CYS CB C 13 38.9 0.3 A 85 CYS N N 15 125.4 0.3 stop_ save_ save_CNS/XPLOR_distance_constraints_5 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_5 _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 26 SER H A 25 LEU HB2 1.0 1.8 2.8 2 1 A 25 LEU H A 25 LEU HB2 1.0 1.8 2.8 3 1 A 26 SER H A 25 LEU HB3 1.0 1.8 2.8 4 1 A 25 LEU H A 25 LEU HB3 1.0 1.8 2.8 5 2 A 25 LEU HDx% A 25 LEU HB3 1.0 1.8 2.8 6 2 A 25 LEU HB3 A 50 LEU HDx% 1.0 1.8 2.8 7 2 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 2.8 8 2 A 50 LEU HDx% A 25 LEU HB2 1.0 1.8 2.8 9 2 A 25 LEU HDx% A 25 LEU HB2 1.0 1.8 2.8 10 2 A 25 LEU HDx% A 50 LEU HBy 1.0 1.8 2.8 11 3 A 27 PRO HBx A 78 GLN HA 1.0 1.8 2.8 12 3 A 27 PRO HA A 78 GLN HBy 1.0 1.8 2.8 13 3 A 78 GLN HG3 A 78 GLN HA 1.0 1.8 2.8 14 3 A 78 GLN HA A 78 GLN HBy 1.0 1.8 2.8 15 3 A 27 PRO HBx A 27 PRO HA 1.0 1.8 2.8 16 3 A 78 GLN HA A 78 GLN HG2 1.0 1.8 2.8 17 3 A 27 PRO HA A 78 GLN HG2 1.0 1.8 2.8 18 3 A 78 GLN HG3 A 27 PRO HA 1.0 1.8 2.8 19 4 A 29 LYS H A 29 LYS HGx 1.0 1.8 4.5 20 4 A 29 LYS H A 28 LYS HGy 1.0 1.8 4.5 21 5 A 29 LYS HA A 29 LYS HBx 1.0 1.8 2.8 22 5 A 29 LYS HA A 29 LYS HBy 1.0 1.8 2.8 23 6 A 29 LYS HA A 29 LYS HGx 1.0 1.8 3.5 24 6 A 29 LYS HGy A 29 LYS HA 1.0 1.8 3.5 25 7 A 29 LYS HGx A 29 LYS HBy 1.0 1.8 2.8 26 7 A 29 LYS HGy A 29 LYS HBy 1.0 1.8 2.8 27 8 A 29 LYS HGx A 29 LYS HBx 1.0 1.8 2.8 28 8 A 29 LYS HGy A 29 LYS HBx 1.0 1.8 2.8 29 9 A 32 CYS HBx A 71 LEU HDy% 1.0 1.8 5.5 30 9 A 32 CYS HBx A 71 LEU HDx% 1.0 1.8 5.5 31 10 A 34 ILE HG1x A 34 ILE HG2% 1.0 1.8 2.8 32 10 A 34 ILE HG1x A 34 ILE HD1% 1.0 1.8 2.8 33 11 A 34 ILE HG1y A 34 ILE HG2% 1.0 1.8 2.8 34 11 A 34 ILE HD1% A 34 ILE HG1y 1.0 1.8 2.8 35 12 A 71 LEU HDx% A 35 TYR HBy 1.0 1.8 3.5 36 12 A 35 TYR HBy A 43 ILE HD1% 1.0 1.8 3.5 37 13 A 36 LYS HA A 71 LEU HDy% 1.0 1.8 3.5 38 13 A 36 LYS HA A 71 LEU HDx% 1.0 1.8 3.5 39 14 A 36 LYS HBy A 36 LYS HGx 1.0 1.8 2.8 40 14 A 36 LYS HBy A 36 LYS HGy 1.0 1.8 2.8 41 15 A 36 LYS HBx A 36 LYS HGx 1.0 1.8 2.8 42 15 A 36 LYS HBx A 36 LYS HGy 1.0 1.8 2.8 43 16 A 38 TYR HBy A 43 ILE HG1x 1.0 1.8 4.5 44 16 A 38 TYR HBy A 43 ILE HD1% 1.0 1.8 4.5 45 17 A 40 VAL HA A 71 LEU HBy 1.0 1.8 4.5 46 17 A 43 ILE HG1y A 40 VAL HA 1.0 1.8 4.5 47 18 A 72 LYS HA A 40 VAL HGy% 1.0 1.8 4.5 48 18 A 40 VAL HA A 40 VAL HGy% 1.0 1.8 4.5 49 19 A 64 CYS HA A 43 ILE HB 1.0 1.8 5.5 50 19 A 44 PRO HDy A 43 ILE HB 1.0 1.8 5.5 51 19 A 35 TYR HBy A 43 ILE HB 1.0 1.8 5.5 52 20 A 38 TYR HBx A 43 ILE HG1x 1.0 1.8 5.5 53 20 A 35 TYR HBx A 43 ILE HG1x 1.0 1.8 5.5 54 21 A 44 PRO HDy A 43 ILE HG1x 1.0 1.8 5.5 55 21 A 35 TYR HBy A 43 ILE HG1x 1.0 1.8 5.5 56 22 A 43 ILE HG2% A 64 CYS H 1.0 1.8 5.5 57 22 A 43 ILE HG2% A 45 CYS H 1.0 1.8 5.5 58 23 A 43 ILE HG2% A 68 THR HB 1.0 1.8 5.5 59 23 A 43 ILE HG2% A 44 PRO HA 1.0 1.8 5.5 60 24 A 43 ILE HG2% A 44 PRO HDy 1.0 1.8 3.5 61 24 A 35 TYR HBy A 43 ILE HG2% 1.0 1.8 3.5 62 24 A 43 ILE HG2% A 64 CYS HA 1.0 1.8 3.5 63 25 A 43 ILE HG2% A 38 TYR HBx 1.0 1.8 4.5 64 25 A 35 TYR HBx A 43 ILE HG2% 1.0 1.8 4.5 65 26 A 43 ILE HD1% A 68 THR HA 1.0 1.8 3.5 66 26 A 43 ILE HA A 43 ILE HD1% 1.0 1.8 3.5 67 27 A 71 LEU HA A 71 LEU HG 1.0 1.8 3.5 68 27 A 70 SER HBy A 71 LEU HG 1.0 1.8 3.5 69 28 A 76 ARG HGy A 76 ARG HDy 1.0 1.8 3.5 70 28 A 44 PRO HGx A 76 ARG HDy 1.0 1.8 3.5 71 28 A 44 PRO HDy A 44 PRO HGx 1.0 1.8 3.5 72 28 A 44 PRO HDy A 76 ARG HGy 1.0 1.8 3.5 73 29 A 44 PRO HDx A 44 PRO HB2 1.0 1.8 3.5 74 29 A 44 PRO HDx A 44 PRO HGy 1.0 1.8 3.5 75 29 A 44 PRO HDx A 44 PRO HB3 1.0 1.8 3.5 76 30 A 45 CYS HBy A 64 CYS HBx 1.0 1.8 3.5 77 30 A 67 CYS HBx A 64 CYS HBx 1.0 1.8 3.5 78 30 A 64 CYS HBy A 45 CYS HBy 1.0 1.8 3.5 79 30 A 32 CYS HBx A 45 CYS HBy 1.0 1.8 3.5 80 30 A 32 CYS HBx A 67 CYS HBx 1.0 1.8 3.5 81 30 A 67 CYS HBx A 64 CYS HBy 1.0 1.8 3.5 82 31 A 67 CYS HBx A 64 CYS HA 1.0 1.8 3.5 83 31 A 67 CYS HBx A 46 PRO HDx 1.0 1.8 3.5 84 31 A 46 PRO HDx A 45 CYS HBy 1.0 1.8 3.5 85 31 A 32 CYS HBy A 67 CYS HBx 1.0 1.8 3.5 86 31 A 32 CYS HBy A 45 CYS HBy 1.0 1.8 3.5 87 31 A 35 TYR HBy A 67 CYS HBx 1.0 1.8 3.5 88 31 A 35 TYR HBy A 45 CYS HBy 1.0 1.8 3.5 89 31 A 64 CYS HA A 45 CYS HBy 1.0 1.8 3.5 90 32 A 46 PRO HGx A 46 PRO HBx 1.0 1.8 2.8 91 32 A 46 PRO HBx A 46 PRO HGy 1.0 1.8 2.8 92 33 A 64 CYS H A 46 PRO HDx 1.0 1.8 4.5 93 33 A 45 CYS H A 46 PRO HDx 1.0 1.8 4.5 94 34 A 46 PRO HDy A 64 CYS H 1.0 1.8 5.5 95 34 A 45 CYS H A 46 PRO HDy 1.0 1.8 5.5 96 35 A 46 PRO HDy A 64 CYS HBx 1.0 1.8 4.5 97 35 A 46 PRO HDy A 64 CYS HBy 1.0 1.8 4.5 98 36 A 46 PRO HDx A 64 CYS HBx 1.0 1.8 3.5 99 36 A 64 CYS HBy A 46 PRO HDx 1.0 1.8 3.5 100 37 A 46 PRO HDy A 46 PRO HBx 1.0 1.8 4.5 101 37 A 46 PRO HDy A 45 CYS HBy 1.0 1.8 4.5 102 38 A 46 PRO HGx A 46 PRO HDx 1.0 1.8 2.8 103 38 A 46 PRO HDx A 46 PRO HGy 1.0 1.8 2.8 104 39 A 46 PRO HDy A 46 PRO HGx 1.0 1.8 2.8 105 39 A 39 PRO HDy A 39 PRO HGx 1.0 1.8 2.8 106 39 A 46 PRO HDy A 46 PRO HGy 1.0 1.8 2.8 107 39 A 39 PRO HDy A 46 PRO HGy 1.0 1.8 2.8 108 39 A 39 PRO HDy A 46 PRO HGx 1.0 1.8 2.8 109 39 A 46 PRO HDy A 39 PRO HGx 1.0 1.8 2.8 110 40 A 44 PRO HDy A 44 PRO HB2 1.0 1.8 2.8 111 40 A 44 PRO HDy A 44 PRO HGy 1.0 1.8 2.8 112 40 A 44 PRO HDy A 44 PRO HB3 1.0 1.8 2.8 113 41 A 46 PRO HDy A 63 GLU HGx 1.0 1.8 4.5 114 41 A 46 PRO HDy A 45 CYS HBx 1.0 1.8 4.5 115 42 A 47 ILE HG1x A 47 ILE HB 1.0 1.8 2.8 116 42 A 47 ILE HG1y A 47 ILE HB 1.0 1.8 2.8 117 43 A 47 ILE HD1% A 47 ILE HG1x 1.0 1.8 2.8 118 43 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.8 2.8 119 44 A 48 THR HG2% A 48 THR HB 1.0 1.8 2.8 120 44 A 48 THR HG2% A 48 THR HA 1.0 1.8 2.8 121 45 A 62 ASN HA A 50 LEU HBy 1.0 1.8 5.5 122 45 A 49 TYR HA A 50 LEU HBy 1.0 1.8 5.5 123 46 A 25 LEU HA A 51 PRO HGx 1.0 1.8 4.5 124 46 A 25 LEU HA A 25 LEU HG 1.0 1.8 4.5 125 46 A 51 PRO HA A 51 PRO HGx 1.0 1.8 4.5 126 46 A 51 PRO HA A 25 LEU HG 1.0 1.8 4.5 127 46 A 83 GLY HAy A 51 PRO HGx 1.0 1.8 4.5 128 46 A 83 GLY HAy A 25 LEU HG 1.0 1.8 4.5 129 47 A 51 PRO HDx A 51 PRO HGx 1.0 1.8 2.8 130 47 A 51 PRO HDx A 51 PRO HGy 1.0 1.8 2.8 131 48 A 52 VAL HGx% A 82 ASP H 1.0 1.8 5.5 132 48 A 52 VAL HGx% A 63 GLU H 1.0 1.8 5.5 133 49 A 79 PHE HD% A 52 VAL HGy% 1.0 1.8 3.5 134 49 A 52 VAL HGy% A 60 TYR HD% 1.0 1.8 3.5 135 50 A 77 VAL HGy% A 54 GLY HAx 1.0 1.8 4.5 136 50 A 66 LEU HDy% A 54 GLY HAx 1.0 1.8 4.5 137 51 A 55 SER HA A 80 LEU HG 1.0 1.8 3.5 138 51 A 80 LEU HBy A 55 SER HA 1.0 1.8 3.5 139 52 A 55 SER HBx A 78 GLN HG2 1.0 1.8 5.5 140 52 A 78 GLN HG3 A 55 SER HBx 1.0 1.8 5.5 141 52 A 55 SER HBx A 78 GLN HBy 1.0 1.8 5.5 142 53 A 77 VAL HGx% A 56 ASP HBy 1.0 1.8 4.5 143 53 A 58 ILE HG1x A 56 ASP HBy 1.0 1.8 4.5 144 54 A 77 VAL HGx% A 56 ASP HBx 1.0 1.8 3.5 145 54 A 58 ILE HG1x A 56 ASP HBx 1.0 1.8 3.5 146 55 A 77 VAL HGy% A 58 ILE HB 1.0 1.8 3.5 147 55 A 58 ILE HB A 58 ILE HD1% 1.0 1.8 3.5 148 56 A 59 THR HG2% A 60 TYR HA 1.0 1.8 4.5 149 56 A 51 PRO HA A 59 THR HG2% 1.0 1.8 4.5 150 57 A 25 LEU H A 24 SER HA 1.0 1.8 2.8 151 57 A 24 SER H A 24 SER HA 1.0 1.8 2.8 152 58 A 60 TYR HBx A 66 LEU HG 1.0 1.8 4.5 153 58 A 52 VAL HGx% A 60 TYR HBx 1.0 1.8 4.5 154 59 A 61 GLY HAx A 62 ASN HA 1.0 1.8 5.5 155 59 A 49 TYR HA A 61 GLY HAx 1.0 1.8 5.5 156 60 A 61 GLY HAy A 60 TYR HA 1.0 1.8 4.5 157 60 A 61 GLY HAy A 51 PRO HA 1.0 1.8 4.5 158 61 A 46 PRO HGx A 64 CYS HBx 1.0 1.8 5.5 159 61 A 46 PRO HGy A 64 CYS HBx 1.0 1.8 5.5 160 62 A 46 PRO HGx A 64 CYS HBy 1.0 1.8 5.5 161 62 A 64 CYS HBy A 46 PRO HGy 1.0 1.8 5.5 162 63 A 64 CYS HA A 64 CYS HBy 1.0 1.8 3.5 163 63 A 64 CYS HBy A 46 PRO HDx 1.0 1.8 3.5 164 64 A 65 HIS HBx A 65 HIS HA 1.0 1.8 3.5 165 64 A 65 HIS HBx A 60 TYR HA 1.0 1.8 3.5 166 65 A 77 VAL HGy% A 66 LEU HA 1.0 1.8 4.5 167 65 A 66 LEU HDy% A 66 LEU HA 1.0 1.8 4.5 168 66 A 66 LEU HG A 66 LEU HA 1.0 1.8 2.8 169 66 A 66 LEU HBx A 66 LEU HA 1.0 1.8 2.8 170 67 A 66 LEU HBx A 66 LEU HDy% 1.0 1.8 3.5 171 67 A 52 VAL HGy% A 66 LEU HBx 1.0 1.8 3.5 172 68 A 66 LEU HBx A 67 CYS HBy 1.0 1.8 5.5 173 68 A 60 TYR HBx A 66 LEU HBx 1.0 1.8 5.5 174 69 A 66 LEU HBx A 66 LEU HA 1.0 1.8 3.5 175 69 A 60 TYR HBy A 66 LEU HBx 1.0 1.8 3.5 176 70 A 66 LEU HBy A 66 LEU HA 1.0 1.8 3.5 177 70 A 60 TYR HBy A 66 LEU HBy 1.0 1.8 3.5 178 71 A 79 PHE HBx A 66 LEU HG 1.0 1.8 4.5 179 71 A 66 LEU HG A 66 LEU HA 1.0 1.8 4.5 180 72 A 79 PHE HD% A 66 LEU HDx% 1.0 1.8 3.5 181 72 A 60 TYR HD% A 66 LEU HDx% 1.0 1.8 3.5 182 73 A 79 PHE H A 66 LEU HDx% 1.0 1.8 3.5 183 73 A 66 LEU HDx% A 70 SER H 1.0 1.8 3.5 184 73 A 66 LEU HDx% A 54 GLY H 1.0 1.8 3.5 185 74 A 64 CYS HA A 67 CYS HBy 1.0 1.8 4.5 186 74 A 35 TYR HBy A 67 CYS HBy 1.0 1.8 4.5 187 74 A 32 CYS HBy A 67 CYS HBy 1.0 1.8 4.5 188 75 A 68 THR HA A 71 LEU HG 1.0 1.8 4.5 189 75 A 68 THR HA A 71 LEU HBy 1.0 1.8 4.5 190 75 A 43 ILE HG1y A 68 THR HA 1.0 1.8 4.5 191 76 A 68 THR HG2% A 72 LYS HB3 1.0 1.8 4.5 192 76 A 68 THR HG2% A 72 LYS HB2 1.0 1.8 4.5 193 76 A 68 THR HG2% A 71 LEU HG 1.0 1.8 4.5 194 76 A 68 THR HG2% A 71 LEU HBy 1.0 1.8 4.5 195 77 A 69 GLU HA A 72 LYS HD2 1.0 1.8 4.5 196 77 A 69 GLU HA A 72 LYS HGy 1.0 1.8 4.5 197 77 A 69 GLU HA A 72 LYS HD3 1.0 1.8 4.5 198 78 A 77 VAL HGy% A 70 SER HBy 1.0 1.8 5.5 199 78 A 66 LEU HDy% A 70 SER HBy 1.0 1.8 5.5 200 79 A 70 SER HBx A 71 LEU HG 1.0 1.8 5.5 201 79 A 70 SER HBx A 71 LEU HBy 1.0 1.8 5.5 202 80 A 70 SER HBy A 71 LEU HG 1.0 1.8 4.5 203 80 A 70 SER HBy A 71 LEU HBy 1.0 1.8 4.5 204 81 A 71 LEU HA A 71 LEU HG 1.0 1.8 2.8 205 81 A 71 LEU HA A 71 LEU HBy 1.0 1.8 2.8 206 82 A 71 LEU HBx A 71 LEU HDy% 1.0 1.8 2.8 207 82 A 71 LEU HDx% A 71 LEU HBx 1.0 1.8 2.8 208 83 A 72 LYS H A 71 LEU HBy 1.0 1.8 4.5 209 83 A 40 VAL H A 71 LEU HBy 1.0 1.8 4.5 210 84 A 71 LEU HDx% A 71 LEU HG 1.0 1.8 2.8 211 84 A 71 LEU HDx% A 71 LEU HBy 1.0 1.8 2.8 212 85 A 71 LEU HDx% A 35 TYR HBy 1.0 1.8 4.5 213 85 A 32 CYS HBy A 71 LEU HDx% 1.0 1.8 4.5 214 86 A 71 LEU HDx% A 71 LEU HA 1.0 1.8 3.5 215 86 A 36 LYS HA A 71 LEU HDx% 1.0 1.8 3.5 216 87 A 25 LEU HDy% A 25 LEU HB2 1.0 1.8 2.8 217 87 A 25 LEU HDy% A 25 LEU HG 1.0 1.8 2.8 218 87 A 25 LEU HB3 A 25 LEU HDy% 1.0 1.8 2.8 219 88 A 72 LYS HA A 72 LYS HD2 1.0 1.8 3.5 220 88 A 72 LYS HGy A 72 LYS HA 1.0 1.8 3.5 221 88 A 72 LYS HA A 72 LYS HD3 1.0 1.8 3.5 222 89 A 72 LYS HD3 A 72 LYS HB2 1.0 1.8 2.8 223 89 A 72 LYS HB3 A 72 LYS HD3 1.0 1.8 2.8 224 89 A 72 LYS HGy A 72 LYS HB2 1.0 1.8 2.8 225 89 A 72 LYS HB3 A 72 LYS HD2 1.0 1.8 2.8 226 89 A 72 LYS HGy A 72 LYS HB3 1.0 1.8 2.8 227 89 A 72 LYS HB2 A 72 LYS HD2 1.0 1.8 2.8 228 90 A 72 LYS HGy A 72 LYS HE3 1.0 1.8 2.8 229 90 A 72 LYS HD2 A 72 LYS HE2 1.0 1.8 2.8 230 90 A 72 LYS HD3 A 72 LYS HE3 1.0 1.8 2.8 231 90 A 72 LYS HD3 A 72 LYS HE2 1.0 1.8 2.8 232 90 A 72 LYS HGy A 72 LYS HE2 1.0 1.8 2.8 233 90 A 72 LYS HE3 A 72 LYS HD2 1.0 1.8 2.8 234 91 A 73 SER HBy A 76 ARG HGy 1.0 1.8 5.5 235 91 A 73 SER HBy A 76 ARG HBx 1.0 1.8 5.5 236 92 A 73 SER HBx A 76 ARG HGy 1.0 1.8 3.5 237 92 A 76 ARG HBx A 73 SER HBx 1.0 1.8 3.5 238 93 A 81 HIS H A 54 GLY HAx 1.0 1.8 5.5 239 93 A 79 PHE HD% A 54 GLY HAx 1.0 1.8 5.5 240 93 A 60 TYR HD% A 54 GLY HAx 1.0 1.8 5.5 241 94 A 76 ARG HBy A 76 ARG HDx 1.0 1.8 4.5 242 94 A 76 ARG HBy A 76 ARG HDy 1.0 1.8 4.5 243 95 A 76 ARG HBy A 76 ARG HA 1.0 1.8 3.5 244 95 A 76 ARG HBy A 73 SER HBx 1.0 1.8 3.5 245 96 A 77 VAL H A 76 ARG HBx 1.0 1.8 4.5 246 96 A 76 ARG HBx A 76 ARG HE 1.0 1.8 4.5 247 97 A 77 VAL H A 76 ARG HBy 1.0 1.8 4.5 248 97 A 76 ARG HBy A 76 ARG HE 1.0 1.8 4.5 249 98 A 76 ARG HGy A 76 ARG HE 1.0 1.8 4.5 250 98 A 38 TYR HD% A 44 PRO HGx 1.0 1.8 4.5 251 98 A 77 VAL H A 44 PRO HGx 1.0 1.8 4.5 252 98 A 77 VAL H A 76 ARG HGy 1.0 1.8 4.5 253 98 A 44 PRO HGx A 76 ARG HE 1.0 1.8 4.5 254 98 A 38 TYR HD% A 76 ARG HGy 1.0 1.8 4.5 255 99 A 76 ARG HGx A 76 ARG HA 1.0 1.8 3.5 256 99 A 76 ARG HGx A 73 SER HBx 1.0 1.8 3.5 257 100 A 76 ARG HGy A 76 ARG HDy 1.0 1.8 3.5 258 100 A 76 ARG HBx A 76 ARG HDy 1.0 1.8 3.5 259 101 A 76 ARG HDx A 76 ARG HGy 1.0 1.8 3.5 260 101 A 76 ARG HBx A 76 ARG HDx 1.0 1.8 3.5 261 102 A 76 ARG HDx A 76 ARG HA 1.0 1.8 5.5 262 102 A 76 ARG HDx A 73 SER HBx 1.0 1.8 5.5 263 103 A 76 ARG HA A 76 ARG HDy 1.0 1.8 5.5 264 103 A 73 SER HBx A 76 ARG HDy 1.0 1.8 5.5 265 104 A 77 VAL HB A 76 ARG HA 1.0 1.8 4.5 266 104 A 77 VAL HB A 73 SER HBx 1.0 1.8 4.5 267 104 A 77 VAL HB A 70 SER HA 1.0 1.8 4.5 268 105 A 77 VAL HGx% A 73 SER HBx 1.0 1.8 3.5 269 105 A 77 VAL HGx% A 70 SER HA 1.0 1.8 3.5 270 106 A 77 VAL HGx% A 69 GLU HGy 1.0 1.8 3.5 271 106 A 77 VAL HGx% A 56 ASP HBy 1.0 1.8 3.5 272 107 A 77 VAL HGx% A 76 ARG HGy 1.0 1.8 5.5 273 107 A 77 VAL HGx% A 76 ARG HBx 1.0 1.8 5.5 274 107 A 77 VAL HGx% A 69 GLU HBx 1.0 1.8 5.5 275 108 A 77 VAL HGy% A 69 GLU HGy 1.0 1.8 4.5 276 108 A 77 VAL HGy% A 56 ASP HBy 1.0 1.8 4.5 277 109 A 81 HIS HA A 82 ASP HBx 1.0 1.8 4.5 278 109 A 81 HIS HA A 82 ASP HBy 1.0 1.8 4.5 279 110 A 81 HIS HBx A 82 ASP HBx 1.0 1.8 5.5 280 110 A 81 HIS HBx A 82 ASP HBy 1.0 1.8 5.5 281 111 A 83 GLY HAx A 51 PRO HGx 1.0 1.8 4.5 282 111 A 83 GLY HAx A 51 PRO HGy 1.0 1.8 4.5 283 111 A 83 GLY HAx A 51 PRO HBx 1.0 1.8 4.5 284 112 A 84 SER HA A 51 PRO HGx 1.0 1.8 5.5 285 112 A 84 SER HA A 51 PRO HGy 1.0 1.8 5.5 286 112 A 51 PRO HBx A 84 SER HA 1.0 1.8 5.5 287 113 A 23 ALA HB% A 23 ALA H 1.0 1.8 2.8 288 113 A 22 ALA HB% A 23 ALA H 1.0 1.8 2.8 289 114 A 24 SER HB3 A 25 LEU H 1.0 1.8 2.8 290 114 A 26 SER H A 26 SER HB2 1.0 1.8 2.8 291 114 A 25 LEU H A 24 SER HB2 1.0 1.8 2.8 292 114 A 24 SER H A 24 SER HB3 1.0 1.8 2.8 293 114 A 24 SER H A 24 SER HB2 1.0 1.8 2.8 294 114 A 24 SER H A 26 SER HB2 1.0 1.8 2.8 295 114 A 24 SER H A 26 SER HB3 1.0 1.8 2.8 296 114 A 24 SER HB3 A 26 SER H 1.0 1.8 2.8 297 114 A 25 LEU H A 26 SER HB3 1.0 1.8 2.8 298 114 A 25 LEU H A 26 SER HB2 1.0 1.8 2.8 299 114 A 26 SER H A 24 SER HB2 1.0 1.8 2.8 300 114 A 26 SER H A 26 SER HB3 1.0 1.8 2.8 301 115 A 25 LEU HA A 25 LEU HB2 1.0 1.8 3.5 302 115 A 25 LEU HA A 25 LEU HG 1.0 1.8 3.5 303 115 A 25 LEU HB3 A 25 LEU HA 1.0 1.8 3.5 304 116 A 26 SER H A 25 LEU HA 1.0 1.8 2.8 305 116 A 25 LEU H A 25 LEU HA 1.0 1.8 2.8 306 117 A 40 VAL H A 39 PRO HDx 1.0 1.8 5.5 307 117 A 28 LYS H A 39 PRO HDx 1.0 1.8 5.5 308 117 A 40 VAL H A 27 PRO HDx 1.0 1.8 5.5 309 117 A 28 LYS H A 27 PRO HDx 1.0 1.8 5.5 310 118 A 30 VAL HGx% A 29 LYS HBx 1.0 1.8 4.5 311 118 A 30 VAL HGx% A 29 LYS HBy 1.0 1.8 4.5 312 119 A 37 LYS HA A 38 TYR H 1.0 1.8 3.5 313 119 A 37 LYS H A 37 LYS HA 1.0 1.8 3.5 314 120 A 38 TYR H A 37 LYS HB2 1.0 1.8 3.5 315 120 A 37 LYS H A 37 LYS HB2 1.0 1.8 3.5 316 120 A 38 TYR H A 37 LYS HB3 1.0 1.8 3.5 317 120 A 37 LYS H A 37 LYS HB3 1.0 1.8 3.5 318 121 A 37 LYS HGy A 38 TYR H 1.0 1.8 4.5 319 121 A 37 LYS H A 37 LYS HGy 1.0 1.8 4.5 320 122 A 37 LYS HGx A 38 TYR H 1.0 1.8 5.5 321 122 A 37 LYS H A 37 LYS HGx 1.0 1.8 5.5 322 123 A 38 TYR H A 37 LYS HD2 1.0 1.8 5.5 323 123 A 37 LYS H A 37 LYS HD2 1.0 1.8 5.5 324 123 A 38 TYR H A 37 LYS HD3 1.0 1.8 5.5 325 123 A 37 LYS H A 37 LYS HD3 1.0 1.8 5.5 326 124 A 39 PRO HA A 39 PRO HGx 1.0 1.8 3.5 327 124 A 39 PRO HA A 39 PRO HGy 1.0 1.8 3.5 328 125 A 39 PRO HDx A 39 PRO HBx 1.0 1.8 4.5 329 125 A 27 PRO HBx A 39 PRO HDx 1.0 1.8 4.5 330 125 A 27 PRO HDx A 39 PRO HBx 1.0 1.8 4.5 331 125 A 27 PRO HBx A 27 PRO HDx 1.0 1.8 4.5 332 126 A 71 LEU HG A 40 VAL HGy% 1.0 1.8 4.5 333 126 A 71 LEU HBy A 40 VAL HGy% 1.0 1.8 4.5 334 127 A 42 ALA HB% A 41 VAL HB 1.0 1.8 5.5 335 127 A 39 PRO HBx A 42 ALA HB% 1.0 1.8 5.5 336 128 A 45 CYS HA A 46 PRO HGx 1.0 1.8 4.5 337 128 A 45 CYS HA A 46 PRO HGy 1.0 1.8 4.5 338 129 A 45 CYS HA A 46 PRO HBy 1.0 1.8 4.5 339 129 A 45 CYS HA A 44 PRO HB2 1.0 1.8 4.5 340 129 A 45 CYS HA A 44 PRO HGy 1.0 1.8 4.5 341 129 A 45 CYS HA A 44 PRO HB3 1.0 1.8 4.5 342 130 A 46 PRO HGx A 46 PRO HA 1.0 1.8 5.5 343 130 A 46 PRO HA A 46 PRO HGy 1.0 1.8 5.5 344 131 A 48 THR HB A 46 PRO HGx 1.0 1.8 5.5 345 131 A 48 THR HB A 46 PRO HGy 1.0 1.8 5.5 346 132 A 50 LEU H A 48 THR HB 1.0 1.8 5.5 347 132 A 47 ILE H A 48 THR HB 1.0 1.8 5.5 348 133 A 50 LEU HDx% A 48 THR HB 1.0 1.8 4.5 349 133 A 50 LEU HDx% A 48 THR HA 1.0 1.8 4.5 350 134 A 50 LEU HDx% A 51 PRO HDy 1.0 1.8 5.5 351 134 A 50 LEU HDx% A 46 PRO HDx 1.0 1.8 5.5 352 135 A 25 LEU HDx% A 25 LEU HB3 1.0 1.8 2.8 353 135 A 50 LEU HDx% A 25 LEU HB2 1.0 1.8 2.8 354 135 A 25 LEU HDx% A 25 LEU HG 1.0 1.8 2.8 355 135 A 25 LEU HB3 A 50 LEU HDx% 1.0 1.8 2.8 356 135 A 50 LEU HDx% A 50 LEU HBy 1.0 1.8 2.8 357 135 A 50 LEU HDx% A 25 LEU HG 1.0 1.8 2.8 358 135 A 25 LEU HDx% A 25 LEU HB2 1.0 1.8 2.8 359 135 A 25 LEU HDx% A 50 LEU HBy 1.0 1.8 2.8 360 136 A 53 CYS HBy A 84 SER HA 1.0 1.8 5.5 361 136 A 53 CYS HBy A 54 GLY HAx 1.0 1.8 5.5 362 137 A 79 PHE HBx A 63 GLU HA 1.0 1.8 5.5 363 137 A 63 GLU HA A 66 LEU HA 1.0 1.8 5.5 364 137 A 60 TYR HBy A 63 GLU HA 1.0 1.8 5.5 365 138 A 66 LEU HDy% A 67 CYS HBy 1.0 1.8 4.5 366 138 A 60 TYR HBx A 66 LEU HDy% 1.0 1.8 4.5 367 139 A 71 LEU HDx% A 36 LYS HE2 1.0 1.8 4.5 368 139 A 71 LEU HDx% A 36 LYS HE3 1.0 1.8 4.5 369 139 A 32 CYS HBx A 71 LEU HDx% 1.0 1.8 4.5 370 140 A 35 TYR HA A 43 ILE HD1% 1.0 1.8 4.5 371 140 A 35 TYR HA A 34 ILE HG1y 1.0 1.8 4.5 372 141 A 77 VAL HGy% A 78 GLN HA 1.0 1.8 4.5 373 141 A 78 GLN HA A 66 LEU HDy% 1.0 1.8 4.5 374 142 A 83 GLY HAy A 51 PRO HGx 1.0 1.8 5.5 375 142 A 83 GLY HAy A 51 PRO HGy 1.0 1.8 5.5 376 142 A 51 PRO HBx A 83 GLY HAy 1.0 1.8 5.5 377 143 A 84 SER HBy A 51 PRO HGx 1.0 1.8 5.5 378 143 A 84 SER HBy A 51 PRO HGy 1.0 1.8 5.5 379 143 A 51 PRO HBx A 84 SER HBy 1.0 1.8 5.5 380 144 A 84 SER HBx A 51 PRO HGx 1.0 1.8 4.5 381 144 A 84 SER HBx A 51 PRO HGy 1.0 1.8 4.5 382 144 A 51 PRO HBx A 84 SER HBx 1.0 1.8 4.5 383 145 A 85 CYS HBx A 59 THR HB 1.0 1.8 5.5 384 145 A 85 CYS HBx A 58 ILE HA 1.0 1.8 5.5 385 145 A 85 CYS HBx A 57 TYR HA 1.0 1.8 5.5 386 146 A 43 ILE HG2% A 64 CYS HBx 1.0 1.8 5.5 387 146 A 43 ILE HG2% A 64 CYS HBy 1.0 1.8 5.5 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 23 ALA HB% A 23 ALA H 1.0 1.8 4.5 2 1 A 22 ALA HB% A 23 ALA H 1.0 1.8 4.5 3 2 A 25 LEU H A 25 LEU HA 1.0 1.8 2.8 4 2 A 25 LEU H A 24 SER HA 1.0 1.8 2.8 5 3 A 68 THR H A 67 CYS HA 1.0 1.8 2.8 6 3 A 26 SER H A 25 LEU HA 1.0 1.8 2.8 7 3 A 26 SER H A 67 CYS HA 1.0 1.8 2.8 8 3 A 68 THR H A 25 LEU HA 1.0 1.8 2.8 9 3 A 26 SER H A 68 THR HB 1.0 1.8 2.8 10 3 A 68 THR H A 68 THR HB 1.0 1.8 2.8 11 4 A 29 LYS H A 29 LYS HGx 1.0 1.8 4.5 12 4 A 29 LYS H A 28 LYS HGy 1.0 1.8 4.5 13 5 A 29 LYS H A 29 LYS HBx 1.0 1.8 3.5 14 5 A 29 LYS H A 29 LYS HBy 1.0 1.8 3.5 15 6 A 30 VAL H A 29 LYS HBx 1.0 1.8 3.5 16 6 A 30 VAL H A 29 LYS HBy 1.0 1.8 3.5 17 7 A 30 VAL H A 29 LYS HGx 1.0 1.8 5.5 18 7 A 29 LYS HGy A 30 VAL H 1.0 1.8 5.5 19 8 A 33 SER H A 34 ILE HG2% 1.0 1.8 4.5 20 8 A 33 SER H A 34 ILE HD1% 1.0 1.8 4.5 21 8 A 30 VAL HGy% A 33 SER H 1.0 1.8 4.5 22 9 A 33 SER H A 71 LEU HDx% 1.0 1.8 5.5 23 9 A 33 SER H A 34 ILE HG1y 1.0 1.8 5.5 24 10 A 34 ILE H A 34 ILE HG2% 1.0 1.8 3.5 25 10 A 34 ILE H A 34 ILE HD1% 1.0 1.8 3.5 26 11 A 35 TYR H A 36 LYS HGx 1.0 1.8 5.5 27 11 A 35 TYR H A 36 LYS HGy 1.0 1.8 5.5 28 12 A 36 LYS H A 36 LYS HGx 1.0 1.8 4.5 29 12 A 36 LYS H A 36 LYS HGy 1.0 1.8 4.5 30 13 A 37 LYS H A 37 LYS HB2 1.0 1.8 4.5 31 13 A 37 LYS H A 37 LYS HB3 1.0 1.8 4.5 32 13 A 37 LYS H A 36 LYS HGx 1.0 1.8 4.5 33 13 A 37 LYS H A 36 LYS HGy 1.0 1.8 4.5 34 14 A 71 LEU HDx% A 38 TYR H 1.0 1.8 5.5 35 14 A 38 TYR H A 43 ILE HD1% 1.0 1.8 5.5 36 15 A 38 TYR H A 44 PRO HDy 1.0 1.8 5.5 37 15 A 35 TYR HBy A 38 TYR H 1.0 1.8 5.5 38 16 A 68 THR HG2% A 41 VAL H 1.0 1.8 5.5 39 16 A 41 VAL H A 42 ALA HB% 1.0 1.8 5.5 40 17 A 42 ALA H A 43 ILE HG1x 1.0 1.8 4.5 41 17 A 42 ALA H A 41 VAL HGx% 1.0 1.8 4.5 42 18 A 42 ALA H A 41 VAL HB 1.0 1.8 4.5 43 18 A 39 PRO HBx A 42 ALA H 1.0 1.8 4.5 44 19 A 40 VAL HA A 42 ALA H 1.0 1.8 4.5 45 19 A 39 PRO HDy A 42 ALA H 1.0 1.8 4.5 46 20 A 45 CYS H A 46 PRO HDx 1.0 1.8 5.5 47 20 A 44 PRO HDy A 45 CYS H 1.0 1.8 5.5 48 21 A 47 ILE H A 47 ILE HB 1.0 1.8 3.5 49 21 A 47 ILE H A 46 PRO HGx 1.0 1.8 3.5 50 21 A 47 ILE H A 46 PRO HGy 1.0 1.8 3.5 51 22 A 47 ILE H A 48 THR HB 1.0 1.8 5.5 52 22 A 47 ILE H A 48 THR HA 1.0 1.8 5.5 53 23 A 48 THR H A 48 THR HG2% 1.0 1.8 4.5 54 23 A 48 THR H A 47 ILE HG1x 1.0 1.8 4.5 55 24 A 48 THR H A 47 ILE HB 1.0 1.8 4.5 56 24 A 48 THR H A 46 PRO HGx 1.0 1.8 4.5 57 24 A 48 THR H A 46 PRO HGy 1.0 1.8 4.5 58 25 A 48 THR H A 48 THR HB 1.0 1.8 2.8 59 25 A 48 THR H A 48 THR HA 1.0 1.8 2.8 60 26 A 62 ASN HBx A 50 LEU H 1.0 1.8 3.5 61 26 A 50 LEU H A 49 TYR HBy 1.0 1.8 3.5 62 27 A 52 VAL H A 51 PRO HGx 1.0 1.8 4.5 63 27 A 52 VAL H A 51 PRO HGy 1.0 1.8 4.5 64 27 A 52 VAL H A 51 PRO HBx 1.0 1.8 4.5 65 28 A 52 VAL H A 82 ASP HA 1.0 1.8 4.5 66 28 A 52 VAL H A 62 ASN HA 1.0 1.8 4.5 67 29 A 53 CYS H A 53 CYS HBx 1.0 1.8 3.5 68 29 A 52 VAL HGx% A 53 CYS H 1.0 1.8 3.5 69 30 A 53 CYS H A 82 ASP HBx 1.0 1.8 6.5 70 30 A 53 CYS H A 82 ASP HBy 1.0 1.8 6.5 71 31 A 53 CYS H A 84 SER HA 1.0 1.8 5.5 72 31 A 53 CYS H A 54 GLY HAx 1.0 1.8 5.5 73 32 A 54 GLY H A 66 LEU HA 1.0 1.8 6.5 74 32 A 60 TYR HBy A 54 GLY H 1.0 1.8 6.5 75 33 A 79 PHE HA A 54 GLY H 1.0 1.8 4.5 76 33 A 54 GLY H A 57 TYR HA 1.0 1.8 4.5 77 34 A 77 VAL HGx% A 56 ASP H 1.0 1.8 4.5 78 34 A 58 ILE HG1x A 56 ASP H 1.0 1.8 4.5 79 35 A 56 ASP H A 80 LEU HBy 1.0 1.8 5.5 80 35 A 56 ASP H A 58 ILE HG1y 1.0 1.8 5.5 81 36 A 56 ASP HA A 57 TYR H 1.0 1.8 4.5 82 36 A 57 TYR H A 47 ILE HA 1.0 1.8 4.5 83 36 A 47 ILE H A 56 ASP HA 1.0 1.8 4.5 84 36 A 47 ILE H A 47 ILE HA 1.0 1.8 4.5 85 37 A 58 ILE H A 58 ILE HA 1.0 1.8 2.8 86 37 A 58 ILE H A 57 TYR HA 1.0 1.8 2.8 87 38 A 59 THR H A 59 THR HB 1.0 1.8 2.8 88 38 A 59 THR H A 58 ILE HA 1.0 1.8 2.8 89 39 A 61 GLY H A 66 LEU HBy 1.0 1.8 6.5 90 39 A 51 PRO HBx A 61 GLY H 1.0 1.8 6.5 91 40 A 62 ASN H A 65 HIS HBy 1.0 1.8 4.5 92 40 A 62 ASN H A 62 ASN HBy 1.0 1.8 4.5 93 41 A 62 ASN H A 65 HIS HA 1.0 1.8 4.5 94 41 A 62 ASN H A 60 TYR HA 1.0 1.8 4.5 95 41 A 51 PRO HA A 62 ASN H 1.0 1.8 4.5 96 42 A 62 ASN H A 64 CYS H 1.0 1.8 4.5 97 42 A 62 ASN H A 52 VAL H 1.0 1.8 4.5 98 43 A 63 GLU H A 64 CYS HBx 1.0 1.8 5.5 99 43 A 63 GLU H A 64 CYS HBy 1.0 1.8 5.5 100 44 A 63 GLU H A 65 HIS HBx 1.0 1.8 5.5 101 44 A 63 GLU H A 64 CYS HA 1.0 1.8 5.5 102 44 A 63 GLU H A 46 PRO HDx 1.0 1.8 5.5 103 45 A 64 CYS H A 63 GLU HBx 1.0 1.8 4.5 104 45 A 64 CYS H A 46 PRO HGx 1.0 1.8 4.5 105 45 A 64 CYS H A 46 PRO HGy 1.0 1.8 4.5 106 46 A 64 CYS H A 67 CYS HBx 1.0 1.8 5.5 107 46 A 64 CYS H A 46 PRO HBx 1.0 1.8 5.5 108 46 A 64 CYS H A 45 CYS HBy 1.0 1.8 5.5 109 47 A 64 CYS H A 64 CYS HBx 1.0 1.8 2.8 110 47 A 64 CYS H A 64 CYS HBy 1.0 1.8 2.8 111 48 A 65 HIS H A 63 GLU HGx 1.0 1.8 5.5 112 48 A 65 HIS H A 63 GLU HBy 1.0 1.8 5.5 113 48 A 65 HIS H A 45 CYS HBx 1.0 1.8 5.5 114 49 A 65 HIS H A 67 CYS HBy 1.0 1.8 6.5 115 49 A 60 TYR HBx A 65 HIS H 1.0 1.8 6.5 116 50 A 65 HIS H A 64 CYS HBx 1.0 1.8 3.5 117 50 A 65 HIS H A 64 CYS HBy 1.0 1.8 3.5 118 51 A 63 GLU H A 65 HIS H 1.0 1.8 5.5 119 51 A 61 GLY H A 65 HIS H 1.0 1.8 5.5 120 52 A 63 GLU H A 66 LEU H 1.0 1.8 5.5 121 52 A 61 GLY H A 66 LEU H 1.0 1.8 5.5 122 53 A 70 SER H A 72 LYS H 1.0 1.8 5.5 123 53 A 68 THR H A 70 SER H 1.0 1.8 5.5 124 54 A 71 LEU H A 71 LEU HG 1.0 1.8 2.8 125 54 A 71 LEU H A 71 LEU HBy 1.0 1.8 2.8 126 55 A 71 LEU H A 71 LEU HA 1.0 1.8 3.5 127 55 A 71 LEU H A 70 SER HBy 1.0 1.8 3.5 128 56 A 72 LYS H A 72 LYS HB2 1.0 1.8 3.5 129 56 A 72 LYS H A 72 LYS HB3 1.0 1.8 3.5 130 56 A 72 LYS H A 71 LEU HBy 1.0 1.8 3.5 131 57 A 73 SER H A 72 LYS HD2 1.0 1.8 5.5 132 57 A 73 SER H A 72 LYS HGy 1.0 1.8 5.5 133 57 A 73 SER H A 72 LYS HD3 1.0 1.8 5.5 134 58 A 73 SER H A 73 SER HBx 1.0 1.8 3.5 135 58 A 73 SER H A 72 LYS HA 1.0 1.8 3.5 136 58 A 70 SER HA A 73 SER H 1.0 1.8 3.5 137 59 A 73 SER H A 71 LEU HA 1.0 1.8 4.5 138 59 A 73 SER H A 69 GLU HA 1.0 1.8 4.5 139 60 A 74 ASN H A 72 LYS HB2 1.0 1.8 5.5 140 60 A 74 ASN H A 72 LYS HB3 1.0 1.8 5.5 141 60 A 74 ASN H A 71 LEU HG 1.0 1.8 5.5 142 60 A 74 ASN H A 71 LEU HBy 1.0 1.8 5.5 143 61 A 74 ASN H A 73 SER HBx 1.0 1.8 4.5 144 61 A 74 ASN H A 72 LYS HA 1.0 1.8 4.5 145 61 A 70 SER HA A 74 ASN H 1.0 1.8 4.5 146 62 A 75 GLY H A 73 SER HBx 1.0 1.8 5.5 147 62 A 70 SER HA A 75 GLY H 1.0 1.8 5.5 148 63 A 76 ARG H A 76 ARG HGy 1.0 1.8 3.5 149 63 A 76 ARG H A 76 ARG HBx 1.0 1.8 3.5 150 64 A 77 VAL H A 76 ARG HGy 1.0 1.8 3.5 151 64 A 77 VAL H A 76 ARG HBx 1.0 1.8 3.5 152 65 A 77 VAL H A 76 ARG HA 1.0 1.8 3.5 153 65 A 77 VAL H A 73 SER HBx 1.0 1.8 3.5 154 65 A 77 VAL H A 70 SER HA 1.0 1.8 3.5 155 66 A 78 GLN H A 78 GLN HG2 1.0 1.8 3.5 156 66 A 78 GLN H A 78 GLN HG3 1.0 1.8 3.5 157 66 A 78 GLN H A 78 GLN HBy 1.0 1.8 3.5 158 67 A 78 GLN H A 76 ARG HA 1.0 1.8 5.5 159 67 A 78 GLN H A 70 SER HA 1.0 1.8 5.5 160 68 A 79 PHE H A 29 LYS HD2 1.0 1.8 4.5 161 68 A 79 PHE H A 29 LYS HD3 1.0 1.8 4.5 162 68 A 79 PHE H A 29 LYS HBx 1.0 1.8 4.5 163 68 A 79 PHE H A 29 LYS HBy 1.0 1.8 4.5 164 69 A 79 PHE H A 77 VAL HA 1.0 1.8 5.5 165 69 A 79 PHE H A 70 SER HBx 1.0 1.8 5.5 166 70 A 80 LEU H A 80 LEU HDx% 1.0 1.8 4.5 167 70 A 66 LEU HDx% A 80 LEU H 1.0 1.8 4.5 168 71 A 79 PHE H A 80 LEU H 1.0 1.8 4.5 169 71 A 54 GLY H A 80 LEU H 1.0 1.8 4.5 170 72 A 81 HIS H A 80 LEU HG 1.0 1.8 3.5 171 72 A 53 CYS HBx A 81 HIS H 1.0 1.8 3.5 172 73 A 81 HIS H A 82 ASP HBx 1.0 1.8 6.5 173 73 A 81 HIS H A 82 ASP HBy 1.0 1.8 6.5 174 73 A 79 PHE HBx A 81 HIS H 1.0 1.8 6.5 175 74 A 82 ASP H A 82 ASP HBx 1.0 1.8 2.8 176 74 A 82 ASP H A 82 ASP HBy 1.0 1.8 2.8 177 75 A 83 GLY H A 51 PRO HGx 1.0 1.8 4.5 178 75 A 83 GLY H A 51 PRO HGy 1.0 1.8 4.5 179 75 A 83 GLY H A 51 PRO HBx 1.0 1.8 4.5 180 76 A 83 GLY H A 82 ASP HBx 1.0 1.8 3.5 181 76 A 83 GLY H A 82 ASP HBy 1.0 1.8 3.5 182 77 A 84 SER H A 51 PRO HGx 1.0 1.8 3.5 183 77 A 84 SER H A 51 PRO HGy 1.0 1.8 3.5 184 77 A 51 PRO HBx A 84 SER H 1.0 1.8 3.5 185 78 A 62 ASN HD2x A 63 GLU HGx 1.0 1.8 6.5 186 78 A 62 ASN HD2x A 45 CYS HBx 1.0 1.8 6.5 187 79 A 62 ASN HD2x A 48 THR HB 1.0 1.8 4.5 188 79 A 62 ASN HD2x A 48 THR HA 1.0 1.8 4.5 189 80 A 62 ASN HD2y A 64 CYS HA 1.0 1.8 4.5 190 80 A 62 ASN HD2y A 46 PRO HDx 1.0 1.8 4.5 191 81 A 62 ASN HD2y A 48 THR HB 1.0 1.8 5.5 192 81 A 62 ASN HD2y A 48 THR HA 1.0 1.8 5.5 193 82 A 62 ASN HD2x A 62 ASN HA 1.0 1.8 4.5 194 82 A 49 TYR HA A 62 ASN HD2x 1.0 1.8 4.5 195 83 A 62 ASN HD2y A 62 ASN HA 1.0 1.8 5.5 196 83 A 49 TYR HA A 62 ASN HD2y 1.0 1.8 5.5 197 84 A 62 ASN HD2y A 65 HIS HD2 1.0 1.8 4.5 198 84 A 48 THR H A 62 ASN HD2y 1.0 1.8 4.5 199 85 A 78 GLN HE22 A 78 GLN HG2 1.0 1.8 4.5 200 85 A 78 GLN HG3 A 78 GLN HE22 1.0 1.8 4.5 201 85 A 78 GLN HE22 A 78 GLN HBy 1.0 1.8 4.5 202 86 A 78 GLN HG3 A 78 GLN HE21 1.0 1.8 3.5 203 86 A 78 GLN HE21 A 78 GLN HBy 1.0 1.8 3.5 204 86 A 78 GLN HE21 A 78 GLN HG2 1.0 1.8 3.5 stop_ save_ save_CNS/XPLOR_distance_constraints_7 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_7 _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 49 TYR HE% A 51 PRO HGx 1.0 1.8 2.8 2 1 A 49 TYR HE% A 51 PRO HGy 1.0 1.8 2.8 3 1 A 49 TYR HE% A 51 PRO HBx 1.0 1.8 2.8 4 2 A 35 TYR HE% A 35 TYR HBy 1.0 1.8 3.5 5 2 A 35 TYR HE% A 46 PRO HDx 1.0 1.8 3.5 6 2 A 49 TYR HE% A 64 CYS HA 1.0 1.8 3.5 7 2 A 35 TYR HBy A 49 TYR HE% 1.0 1.8 3.5 8 2 A 35 TYR HE% A 51 PRO HDy 1.0 1.8 3.5 9 2 A 49 TYR HE% A 46 PRO HDx 1.0 1.8 3.5 10 2 A 49 TYR HE% A 51 PRO HDy 1.0 1.8 3.5 11 2 A 35 TYR HE% A 64 CYS HA 1.0 1.8 3.5 12 3 A 49 TYR HE% A 61 GLY HAy 1.0 1.8 3.5 13 3 A 46 PRO HDy A 49 TYR HE% 1.0 1.8 3.5 14 3 A 35 TYR HE% A 61 GLY HAy 1.0 1.8 3.5 15 3 A 35 TYR HE% A 46 PRO HDy 1.0 1.8 3.5 16 4 A 35 TYR HD% A 64 CYS HBx 1.0 1.8 4.5 17 4 A 32 CYS HBx A 35 TYR HD% 1.0 1.8 4.5 18 5 A 38 TYR HE% A 44 PRO HGy 1.0 1.8 4.5 19 5 A 38 TYR HE% A 44 PRO HB3 1.0 1.8 4.5 20 5 A 38 TYR HE% A 44 PRO HB2 1.0 1.8 4.5 21 6 A 49 TYR HD% A 51 PRO HGx 1.0 1.8 4.5 22 6 A 49 TYR HD% A 51 PRO HGy 1.0 1.8 4.5 23 6 A 49 TYR HD% A 51 PRO HBx 1.0 1.8 4.5 24 7 A 65 HIS HD2 A 65 HIS HBy 1.0 1.8 3.5 25 7 A 65 HIS HD2 A 62 ASN HBy 1.0 1.8 3.5 26 7 A 61 GLY HAx A 65 HIS HD2 1.0 1.8 3.5 27 8 A 79 PHE HE% A 82 ASP HBx 1.0 1.8 5.5 28 8 A 79 PHE HBx A 79 PHE HE% 1.0 1.8 5.5 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 21 GLU H A 20 SER HA 1.0 1.8 5.5 2 2 A 21 GLU H A 21 GLU HA 1.0 1.8 5.5 3 3 A 21 GLU H A 21 GLU HBx 1.0 1.8 5.5 4 4 A 22 ALA H A 22 ALA HB% 1.0 1.8 4.5 5 5 A 22 ALA H A 22 ALA HA 1.0 1.8 4.5 6 6 A 24 SER H A 23 ALA HB% 1.0 1.8 5.5 7 7 A 24 SER H A 24 SER HB2 1.0 1.8 4.5 8 7 A 24 SER H A 24 SER HB3 1.0 1.8 4.5 9 8 A 25 LEU H A 24 SER HB2 1.0 1.8 5.5 10 8 A 24 SER HB3 A 25 LEU H 1.0 1.8 5.5 11 9 A 25 LEU H A 25 LEU HDx% 1.0 1.8 5.5 12 10 A 29 LYS H A 29 LYS HGy 1.0 1.8 5.5 13 11 A 26 SER H A 25 LEU HB2 1.0 1.8 4.5 14 11 A 26 SER H A 25 LEU HB3 1.0 1.8 4.5 15 12 A 25 LEU HDx% A 26 SER H 1.0 1.8 5.5 16 13 A 68 THR H A 68 THR HG2% 1.0 1.8 4.5 17 14 A 40 VAL H A 40 VAL HGx% 1.0 1.8 4.5 18 15 A 28 LYS H A 28 LYS HGx 1.0 1.8 5.5 19 16 A 28 LYS H A 28 LYS HGy 1.0 1.8 5.5 20 17 A 28 LYS H A 28 LYS HD2 1.0 1.8 5.5 21 17 A 28 LYS H A 28 LYS HD3 1.0 1.8 5.5 22 18 A 28 LYS H A 27 PRO HBy 1.0 1.8 4.5 23 19 A 28 LYS H A 27 PRO HBx 1.0 1.8 4.5 24 20 A 28 LYS H A 27 PRO HDx 1.0 1.8 5.5 25 21 A 40 VAL H A 41 VAL H 1.0 1.8 4.5 26 22 A 29 LYS H A 28 LYS HGx 1.0 1.8 5.5 27 23 A 30 VAL H A 30 VAL HGx% 1.0 1.8 4.5 28 24 A 30 VAL H A 30 VAL HGy% 1.0 1.8 4.5 29 25 A 30 VAL H A 79 PHE HBx 1.0 1.8 5.5 30 26 A 30 VAL H A 79 PHE HBy 1.0 1.8 5.5 31 27 A 30 VAL H A 79 PHE HD% 1.0 1.8 5.5 32 28 A 29 LYS H A 30 VAL H 1.0 1.8 4.5 33 29 A 30 VAL H A 31 ASP H 1.0 1.8 5.5 34 30 A 30 VAL HGx% A 31 ASP H 1.0 1.8 5.5 35 31 A 30 VAL HGy% A 31 ASP H 1.0 1.8 4.5 36 32 A 31 ASP H A 30 VAL HB 1.0 1.8 4.5 37 33 A 30 VAL H A 31 ASP H 1.0 1.8 5.5 38 34 A 31 ASP H A 32 CYS H 1.0 1.8 4.5 39 35 A 32 CYS H A 31 ASP HBx 1.0 1.8 4.5 40 36 A 79 PHE H A 78 GLN H 1.0 1.8 4.5 41 37 A 31 ASP HBx A 33 SER H 1.0 1.8 5.5 42 38 A 33 SER H A 32 CYS HBx 1.0 1.8 4.5 43 39 A 33 SER H A 32 CYS HBy 1.0 1.8 5.5 44 40 A 33 SER H A 32 CYS HA 1.0 1.8 4.5 45 41 A 33 SER H A 35 TYR HD% 1.0 1.8 5.5 46 42 A 33 SER H A 35 TYR H 1.0 1.8 5.5 47 43 A 34 ILE H A 34 ILE HG1x 1.0 1.8 4.5 48 44 A 34 ILE H A 34 ILE HB 1.0 1.8 4.5 49 45 A 32 CYS HA A 34 ILE H 1.0 1.8 5.5 50 46 A 33 SER H A 34 ILE H 1.0 1.8 4.5 51 47 A 35 TYR H A 34 ILE HG1x 1.0 1.8 4.5 52 48 A 35 TYR H A 34 ILE HD1% 1.0 1.8 4.5 53 49 A 35 TYR H A 34 ILE HB 1.0 1.8 4.5 54 50 A 35 TYR H A 36 LYS HBx 1.0 1.8 5.5 55 51 A 35 TYR H A 36 LYS HBy 1.0 1.8 6.5 56 52 A 32 CYS HBx A 35 TYR H 1.0 1.8 6.5 57 53 A 35 TYR H A 36 LYS HA 1.0 1.8 5.5 58 54 A 32 CYS HA A 35 TYR H 1.0 1.8 5.5 59 55 A 35 TYR H A 35 TYR HE% 1.0 1.8 5.5 60 56 A 33 SER H A 35 TYR H 1.0 1.8 5.5 61 57 A 36 LYS H A 71 LEU HDx% 1.0 1.8 5.5 62 58 A 36 LYS HBy A 36 LYS H 1.0 1.8 4.5 63 59 A 36 LYS H A 36 LYS HD2 1.0 1.8 5.5 64 59 A 36 LYS H A 36 LYS HD3 1.0 1.8 5.5 65 60 A 36 LYS H A 35 TYR HBx 1.0 1.8 5.5 66 61 A 36 LYS H A 35 TYR HBy 1.0 1.8 5.5 67 62 A 36 LYS H A 33 SER HA 1.0 1.8 4.5 68 63 A 36 LYS H A 35 TYR HA 1.0 1.8 5.5 69 64 A 35 TYR HD% A 36 LYS H 1.0 1.8 5.5 70 65 A 37 LYS H A 37 LYS HGx 1.0 1.8 5.5 71 66 A 37 LYS H A 37 LYS HGy 1.0 1.8 4.5 72 67 A 37 LYS H A 37 LYS HA 1.0 1.8 4.5 73 68 A 36 LYS H A 37 LYS H 1.0 1.8 4.5 74 69 A 37 LYS HGx A 38 TYR H 1.0 1.8 5.5 75 70 A 37 LYS HGy A 38 TYR H 1.0 1.8 5.5 76 71 A 38 TYR H A 37 LYS HB2 1.0 1.8 5.5 77 71 A 38 TYR H A 37 LYS HB3 1.0 1.8 5.5 78 72 A 38 TYR H A 43 ILE HG1y 1.0 1.8 5.5 79 73 A 38 TYR H A 39 PRO HDx 1.0 1.8 5.5 80 74 A 38 TYR H A 39 PRO HDy 1.0 1.8 5.5 81 75 A 35 TYR HA A 38 TYR H 1.0 1.8 5.5 82 76 A 38 TYR H A 38 TYR HA 1.0 1.8 4.5 83 77 A 38 TYR H A 38 TYR HE% 1.0 1.8 5.5 84 78 A 40 VAL H A 39 PRO HBx 1.0 1.8 4.5 85 79 A 41 VAL H A 39 PRO HBy 1.0 1.8 4.5 86 80 A 41 VAL H A 40 VAL HA 1.0 1.8 4.5 87 81 A 41 VAL H A 42 ALA HA 1.0 1.8 5.5 88 82 A 41 VAL H A 39 PRO HA 1.0 1.8 5.5 89 83 A 41 VAL H A 43 ILE H 1.0 1.8 6.5 90 84 A 42 ALA H A 41 VAL HGy% 1.0 1.8 5.5 91 85 A 42 ALA H A 39 PRO HGy 1.0 1.8 4.5 92 86 A 42 ALA H A 38 TYR HBy 1.0 1.8 6.5 93 87 A 39 PRO HDx A 42 ALA H 1.0 1.8 5.5 94 88 A 42 ALA H A 43 ILE HA 1.0 1.8 5.5 95 89 A 43 ILE H A 43 ILE HG2% 1.0 1.8 4.5 96 90 A 43 ILE H A 43 ILE HD1% 1.0 1.8 4.5 97 91 A 43 ILE H A 42 ALA HB% 1.0 1.8 4.5 98 92 A 43 ILE H A 44 PRO HDx 1.0 1.8 5.5 99 93 A 43 ILE H A 38 TYR HBx 1.0 1.8 5.5 100 94 A 43 ILE H A 38 TYR HBy 1.0 1.8 5.5 101 95 A 43 ILE H A 44 PRO HDy 1.0 1.8 5.5 102 96 A 40 VAL HA A 43 ILE H 1.0 1.8 6.5 103 97 A 43 ILE H A 41 VAL HA 1.0 1.8 5.5 104 98 A 30 VAL H A 79 PHE HD% 1.0 1.8 5.5 105 99 A 41 VAL H A 43 ILE H 1.0 1.8 6.5 106 100 A 43 ILE H A 38 TYR HD% 1.0 1.8 6.5 107 101 A 43 ILE HG2% A 45 CYS H 1.0 1.8 5.5 108 102 A 45 CYS H A 46 PRO HDy 1.0 1.8 5.5 109 103 A 47 ILE H A 47 ILE HD1% 1.0 1.8 4.5 110 104 A 48 THR H A 47 ILE HG2% 1.0 1.8 5.5 111 105 A 48 THR H A 47 ILE HG1y 1.0 1.8 5.5 112 106 A 48 THR H A 62 ASN HBx 1.0 1.8 6.5 113 107 A 48 THR H A 49 TYR HA 1.0 1.8 5.5 114 108 A 48 THR H A 62 ASN HD2y 1.0 1.8 5.5 115 109 A 48 THR H A 62 ASN HD2x 1.0 1.8 4.5 116 110 A 48 THR H A 49 TYR H 1.0 1.8 4.5 117 111 A 49 TYR H A 50 LEU HDx% 1.0 1.8 5.5 118 112 A 49 TYR H A 48 THR HG2% 1.0 1.8 4.5 119 113 A 49 TYR H A 50 LEU HA 1.0 1.8 5.5 120 114 A 49 TYR H A 49 TYR HE% 1.0 1.8 6.5 121 115 A 48 THR H A 49 TYR H 1.0 1.8 5.5 122 116 A 49 TYR H A 49 TYR HD% 1.0 1.8 4.5 123 117 A 62 ASN HD2x A 49 TYR H 1.0 1.8 5.5 124 118 A 49 TYR H A 50 LEU H 1.0 1.8 4.5 125 119 A 50 LEU H A 52 VAL HGy% 1.0 1.8 5.5 126 120 A 50 LEU HDx% A 50 LEU H 1.0 1.8 5.5 127 121 A 50 LEU H A 52 VAL HGx% 1.0 1.8 5.5 128 122 A 48 THR HG2% A 50 LEU H 1.0 1.8 5.5 129 123 A 50 LEU H A 51 PRO HDx 1.0 1.8 4.5 130 124 A 50 LEU H A 51 PRO HDy 1.0 1.8 4.5 131 125 A 50 LEU H A 48 THR HB 1.0 1.8 5.5 132 126 A 50 LEU H A 61 GLY HAy 1.0 1.8 5.5 133 127 A 50 LEU H A 51 PRO HA 1.0 1.8 5.5 134 128 A 62 ASN HD2y A 50 LEU H 1.0 1.8 5.5 135 129 A 49 TYR HE% A 50 LEU H 1.0 1.8 5.5 136 130 A 49 TYR HD% A 50 LEU H 1.0 1.8 4.5 137 131 A 50 LEU H A 62 ASN H 1.0 1.8 5.5 138 132 A 62 ASN HD2x A 50 LEU H 1.0 1.8 4.5 139 133 A 50 LEU H A 52 VAL H 1.0 1.8 6.5 140 134 A 49 TYR H A 50 LEU H 1.0 1.8 4.5 141 135 A 50 LEU H A 63 GLU H 1.0 1.8 5.5 142 136 A 51 PRO HDx A 52 VAL H 1.0 1.8 6.5 143 137 A 52 VAL H A 52 VAL HB 1.0 1.8 4.5 144 138 A 52 VAL H A 60 TYR HBx 1.0 1.8 4.5 145 139 A 52 VAL H A 60 TYR HBy 1.0 1.8 5.5 146 140 A 51 PRO HDy A 52 VAL H 1.0 1.8 5.5 147 141 A 52 VAL H A 61 GLY HAx 1.0 1.8 4.5 148 142 A 52 VAL H A 53 CYS HA 1.0 1.8 5.5 149 143 A 52 VAL H A 60 TYR HD% 1.0 1.8 5.5 150 144 A 62 ASN H A 52 VAL H 1.0 1.8 5.5 151 145 A 52 VAL H A 53 CYS H 1.0 1.8 4.5 152 146 A 53 CYS H A 66 LEU HDx% 1.0 1.8 5.5 153 147 A 52 VAL HGy% A 53 CYS H 1.0 1.8 5.5 154 148 A 60 TYR HBx A 53 CYS H 1.0 1.8 5.5 155 149 A 53 CYS H A 81 HIS HBy 1.0 1.8 6.5 156 150 A 53 CYS H A 83 GLY HAx 1.0 1.8 5.5 157 151 A 53 CYS H A 79 PHE HA 1.0 1.8 5.5 158 152 A 53 CYS H A 81 HIS HA 1.0 1.8 5.5 159 153 A 53 CYS H A 79 PHE HE% 1.0 1.8 5.5 160 154 A 52 VAL H A 53 CYS H 1.0 1.8 4.5 161 155 A 53 CYS H A 83 GLY H 1.0 1.8 4.5 162 156 A 53 CYS H A 81 HIS HE1 1.0 1.8 5.5 163 157 A 53 CYS H A 54 GLY H 1.0 1.8 5.5 164 158 A 53 CYS H A 60 TYR H 1.0 1.8 5.5 165 159 A 53 CYS H A 82 ASP H 1.0 1.8 5.5 166 160 A 54 GLY H A 58 ILE HG2% 1.0 1.8 5.5 167 161 A 66 LEU HDx% A 54 GLY H 1.0 1.8 5.5 168 162 A 54 GLY H A 77 VAL HGy% 1.0 1.8 5.5 169 163 A 54 GLY H A 58 ILE HG1x 1.0 1.8 5.5 170 164 A 54 GLY H A 53 CYS HBx 1.0 1.8 4.5 171 165 A 54 GLY H A 58 ILE HB 1.0 1.8 5.5 172 166 A 52 VAL HB A 54 GLY H 1.0 1.8 5.5 173 167 A 54 GLY H A 53 CYS HBy 1.0 1.8 4.5 174 168 A 60 TYR HBx A 54 GLY H 1.0 1.8 5.5 175 169 A 54 GLY H A 59 THR H 1.0 1.8 5.5 176 170 A 54 GLY H A 80 LEU H 1.0 1.8 5.5 177 171 A 53 CYS H A 54 GLY H 1.0 1.8 4.5 178 172 A 54 GLY H A 55 SER H 1.0 1.8 4.5 179 173 A 54 GLY H A 60 TYR H 1.0 1.8 4.5 180 174 A 66 LEU HDx% A 55 SER H 1.0 1.8 4.5 181 175 A 77 VAL HGy% A 55 SER H 1.0 1.8 5.5 182 176 A 55 SER H A 77 VAL HGx% 1.0 1.8 5.5 183 177 A 55 SER H A 77 VAL HB 1.0 1.8 5.5 184 178 A 55 SER H A 78 GLN HBx 1.0 1.8 5.5 185 179 A 55 SER H A 78 GLN HG2 1.0 1.8 5.5 186 179 A 55 SER H A 78 GLN HG3 1.0 1.8 5.5 187 180 A 55 SER H A 56 ASP HBx 1.0 1.8 5.5 188 181 A 55 SER H A 80 LEU HDy% 1.0 1.8 5.5 189 182 A 79 PHE HA A 55 SER H 1.0 1.8 4.5 190 183 A 55 SER H A 56 ASP HA 1.0 1.8 5.5 191 184 A 55 SER H A 78 GLN HA 1.0 1.8 4.5 192 185 A 55 SER H A 81 HIS H 1.0 1.8 6.5 193 186 A 55 SER H A 77 VAL H 1.0 1.8 6.5 194 187 A 55 SER H A 58 ILE H 1.0 1.8 5.5 195 188 A 80 LEU H A 55 SER H 1.0 1.8 4.5 196 189 A 55 SER H A 57 TYR H 1.0 1.8 4.5 197 190 A 66 LEU HDx% A 56 ASP H 1.0 1.8 5.5 198 191 A 77 VAL HGy% A 56 ASP H 1.0 1.8 4.5 199 192 A 77 VAL HB A 56 ASP H 1.0 1.8 5.5 200 193 A 58 ILE HB A 56 ASP H 1.0 1.8 5.5 201 194 A 56 ASP H A 57 TYR HBy 1.0 1.8 6.5 202 195 A 56 ASP H A 55 SER HBx 1.0 1.8 4.5 203 196 A 56 ASP H A 54 GLY HAy 1.0 1.8 4.5 204 197 A 56 ASP H A 57 TYR HD% 1.0 1.8 5.5 205 198 A 80 LEU H A 56 ASP H 1.0 1.8 6.5 206 199 A 78 GLN H A 56 ASP H 1.0 1.8 5.5 207 200 A 58 ILE HG2% A 57 TYR H 1.0 1.8 6.5 208 201 A 57 TYR H A 80 LEU HBx 1.0 1.8 5.5 209 202 A 57 TYR H A 80 LEU HDx% 1.0 1.8 5.5 210 203 A 80 LEU HDy% A 57 TYR H 1.0 1.8 5.5 211 204 A 58 ILE HG1x A 57 TYR H 1.0 1.8 4.5 212 205 A 57 TYR H A 80 LEU HBy 1.0 1.8 5.5 213 206 A 57 TYR H A 56 ASP HBy 1.0 1.8 5.5 214 207 A 57 TYR H A 57 TYR HBx 1.0 1.8 4.5 215 208 A 57 TYR H A 55 SER HBx 1.0 1.8 5.5 216 209 A 57 TYR H A 55 SER HBy 1.0 1.8 5.5 217 210 A 57 TYR H A 54 GLY HAy 1.0 1.8 4.5 218 211 A 53 CYS HA A 57 TYR H 1.0 1.8 6.5 219 212 A 57 TYR H A 57 TYR HE% 1.0 1.8 5.5 220 213 A 57 TYR H A 57 TYR HD% 1.0 1.8 5.5 221 214 A 55 SER H A 57 TYR H 1.0 1.8 5.5 222 215 A 58 ILE HG2% A 58 ILE H 1.0 1.8 4.5 223 216 A 58 ILE H A 58 ILE HD1% 1.0 1.8 4.5 224 217 A 56 ASP HBx A 58 ILE H 1.0 1.8 4.5 225 218 A 58 ILE H A 56 ASP HBy 1.0 1.8 5.5 226 219 A 58 ILE H A 57 TYR HBx 1.0 1.8 4.5 227 220 A 58 ILE H A 57 TYR HBy 1.0 1.8 4.5 228 221 A 58 ILE H A 55 SER HA 1.0 1.8 6.5 229 222 A 56 ASP HA A 58 ILE H 1.0 1.8 5.5 230 223 A 58 ILE H A 54 GLY HAy 1.0 1.8 5.5 231 224 A 53 CYS HA A 58 ILE H 1.0 1.8 5.5 232 225 A 59 THR H A 58 ILE H 1.0 1.8 4.5 233 226 A 59 THR H A 58 ILE HD1% 1.0 1.8 5.5 234 227 A 58 ILE HG1x A 59 THR H 1.0 1.8 5.5 235 228 A 59 THR H A 59 THR HG2% 1.0 1.8 5.5 236 229 A 59 THR H A 58 ILE HG1y 1.0 1.8 5.5 237 230 A 58 ILE HB A 59 THR H 1.0 1.8 4.5 238 231 A 59 THR H A 85 CYS HBx 1.0 1.8 5.5 239 232 A 59 THR H A 85 CYS HBy 1.0 1.8 5.5 240 233 A 53 CYS HA A 59 THR H 1.0 1.8 5.5 241 234 A 59 THR H A 58 ILE H 1.0 1.8 5.5 242 235 A 54 GLY H A 59 THR H 1.0 1.8 5.5 243 236 A 60 TYR H A 59 THR H 1.0 1.8 5.5 244 237 A 60 TYR H A 58 ILE HG2% 1.0 1.8 5.5 245 238 A 66 LEU HDx% A 60 TYR H 1.0 1.8 5.5 246 239 A 52 VAL HGy% A 60 TYR H 1.0 1.8 5.5 247 240 A 60 TYR H A 51 PRO HBy 1.0 1.8 6.5 248 241 A 60 TYR H A 51 PRO HBx 1.0 1.8 6.5 249 242 A 52 VAL HB A 60 TYR H 1.0 1.8 5.5 250 243 A 60 TYR H A 53 CYS HBy 1.0 1.8 6.5 251 244 A 60 TYR H A 65 HIS HBx 1.0 1.8 6.5 252 245 A 60 TYR H A 59 THR HB 1.0 1.8 4.5 253 246 A 60 TYR H A 84 SER HA 1.0 1.8 5.5 254 247 A 62 ASN H A 60 TYR H 1.0 1.8 5.5 255 248 A 60 TYR H A 59 THR H 1.0 1.8 4.5 256 249 A 60 TYR H A 85 CYS H 1.0 1.8 5.5 257 250 A 53 CYS H A 60 TYR H 1.0 1.8 5.5 258 251 A 54 GLY H A 60 TYR H 1.0 1.8 4.5 259 252 A 60 TYR H A 61 GLY H 1.0 1.8 5.5 260 253 A 52 VAL HGy% A 61 GLY H 1.0 1.8 5.5 261 254 A 59 THR HG2% A 61 GLY H 1.0 1.8 5.5 262 255 A 60 TYR HBx A 61 GLY H 1.0 1.8 4.5 263 256 A 65 HIS HBx A 61 GLY H 1.0 1.8 4.5 264 257 A 61 GLY H A 62 ASN HA 1.0 1.8 5.5 265 258 A 49 TYR HE% A 61 GLY H 1.0 1.8 5.5 266 259 A 60 TYR HD% A 61 GLY H 1.0 1.8 5.5 267 260 A 61 GLY H A 65 HIS HD2 1.0 1.8 4.5 268 261 A 61 GLY H A 66 LEU H 1.0 1.8 5.5 269 262 A 61 GLY H A 65 HIS H 1.0 1.8 5.5 270 263 A 52 VAL H A 61 GLY H 1.0 1.8 5.5 271 264 A 60 TYR H A 61 GLY H 1.0 1.8 5.5 272 265 A 52 VAL HGy% A 62 ASN H 1.0 1.8 5.5 273 266 A 52 VAL HGx% A 62 ASN H 1.0 1.8 5.5 274 267 A 62 ASN HBx A 62 ASN H 1.0 1.8 4.5 275 268 A 62 ASN H A 63 GLU HA 1.0 1.8 5.5 276 269 A 62 ASN HD2y A 62 ASN H 1.0 1.8 6.5 277 270 A 62 ASN H A 60 TYR HD% 1.0 1.8 5.5 278 271 A 62 ASN H A 66 LEU H 1.0 1.8 4.5 279 272 A 62 ASN H A 65 HIS H 1.0 1.8 4.5 280 273 A 50 LEU H A 62 ASN H 1.0 1.8 5.5 281 274 A 62 ASN H A 60 TYR H 1.0 1.8 5.5 282 275 A 62 ASN HD2x A 62 ASN H 1.0 1.8 5.5 283 276 A 52 VAL HGy% A 63 GLU H 1.0 1.8 5.5 284 277 A 50 LEU HDx% A 63 GLU H 1.0 1.8 5.5 285 278 A 52 VAL HGx% A 63 GLU H 1.0 1.8 5.5 286 279 A 63 GLU H A 50 LEU HBx 1.0 1.8 5.5 287 280 A 63 GLU H A 50 LEU HBy 1.0 1.8 5.5 288 281 A 63 GLU H A 63 GLU HGy 1.0 1.8 4.5 289 282 A 63 GLU H A 66 LEU HBy 1.0 1.8 5.5 290 283 A 62 ASN HD2y A 63 GLU H 1.0 1.8 5.5 291 284 A 62 ASN H A 63 GLU H 1.0 1.8 5.5 292 285 A 63 GLU H A 66 LEU H 1.0 1.8 5.5 293 286 A 62 ASN HD2x A 63 GLU H 1.0 1.8 5.5 294 287 A 50 LEU H A 63 GLU H 1.0 1.8 5.5 295 288 A 64 CYS H A 63 GLU HBy 1.0 1.8 4.5 296 289 A 63 GLU HGy A 64 CYS H 1.0 1.8 4.5 297 290 A 62 ASN HBx A 64 CYS H 1.0 1.8 5.5 298 291 A 64 CYS H A 62 ASN HBy 1.0 1.8 4.5 299 292 A 63 GLU HA A 64 CYS H 1.0 1.8 4.5 300 293 A 46 PRO HDy A 64 CYS H 1.0 1.8 5.5 301 294 A 62 ASN HA A 64 CYS H 1.0 1.8 5.5 302 295 A 35 TYR HE% A 64 CYS H 1.0 1.8 5.5 303 296 A 64 CYS H A 45 CYS HA 1.0 1.8 5.5 304 297 A 66 LEU H A 64 CYS H 1.0 1.8 5.5 305 298 A 52 VAL HGy% A 65 HIS H 1.0 1.8 5.5 306 299 A 65 HIS H A 66 LEU HBx 1.0 1.8 5.5 307 300 A 65 HIS H A 66 LEU HBy 1.0 1.8 5.5 308 301 A 65 HIS H A 67 CYS HBx 1.0 1.8 5.5 309 302 A 65 HIS H A 63 GLU HA 1.0 1.8 5.5 310 303 A 60 TYR HD% A 65 HIS H 1.0 1.8 6.5 311 304 A 65 HIS HD2 A 65 HIS H 1.0 1.8 4.5 312 305 A 62 ASN H A 65 HIS H 1.0 1.8 4.5 313 306 A 65 HIS H A 67 CYS H 1.0 1.8 5.5 314 307 A 66 LEU HDx% A 66 LEU H 1.0 1.8 5.5 315 308 A 52 VAL HGy% A 66 LEU H 1.0 1.8 4.5 316 309 A 66 LEU H A 67 CYS HBx 1.0 1.8 5.5 317 310 A 60 TYR HD% A 66 LEU H 1.0 1.8 5.5 318 311 A 65 HIS HD2 A 66 LEU H 1.0 1.8 5.5 319 312 A 66 LEU H A 64 CYS H 1.0 1.8 4.5 320 313 A 62 ASN H A 66 LEU H 1.0 1.8 4.5 321 314 A 66 LEU HDx% A 67 CYS H 1.0 1.8 5.5 322 315 A 67 CYS H A 66 LEU HDy% 1.0 1.8 5.5 323 316 A 63 GLU HBy A 67 CYS H 1.0 1.8 5.5 324 317 A 67 CYS H A 64 CYS HA 1.0 1.8 4.5 325 318 A 67 CYS H A 70 SER HBx 1.0 1.8 5.5 326 319 A 63 GLU HA A 67 CYS H 1.0 1.8 4.5 327 320 A 67 CYS H A 69 GLU H 1.0 1.8 5.5 328 321 A 65 HIS H A 67 CYS H 1.0 1.8 5.5 329 322 A 68 THR H A 67 CYS HBx 1.0 1.8 4.5 330 323 A 68 THR H A 67 CYS HBy 1.0 1.8 4.5 331 324 A 68 THR H A 64 CYS HA 1.0 1.8 4.5 332 325 A 68 THR H A 66 LEU H 1.0 1.8 5.5 333 326 A 66 LEU HDx% A 69 GLU H 1.0 1.8 5.5 334 327 A 77 VAL HGy% A 69 GLU H 1.0 1.8 6.5 335 328 A 77 VAL HGx% A 69 GLU H 1.0 1.8 5.5 336 329 A 69 GLU H A 66 LEU HG 1.0 1.8 6.5 337 330 A 68 THR HG2% A 69 GLU H 1.0 1.8 5.5 338 331 A 69 GLU H A 69 GLU HGx 1.0 1.8 4.5 339 332 A 67 CYS HBx A 69 GLU H 1.0 1.8 5.5 340 333 A 69 GLU H A 66 LEU HA 1.0 1.8 4.5 341 334 A 69 GLU H A 69 GLU HGy 1.0 1.8 4.5 342 335 A 69 GLU H A 70 SER HA 1.0 1.8 5.5 343 336 A 69 GLU H A 71 LEU H 1.0 1.8 5.5 344 337 A 70 SER H A 73 SER H 1.0 1.8 5.5 345 338 A 66 LEU HA A 70 SER H 1.0 1.8 5.5 346 339 A 67 CYS HBy A 70 SER H 1.0 1.8 6.5 347 340 A 67 CYS HBx A 70 SER H 1.0 1.8 5.5 348 341 A 69 GLU HGx A 70 SER H 1.0 1.8 5.5 349 342 A 69 GLU HGy A 70 SER H 1.0 1.8 5.5 350 343 A 77 VAL HB A 70 SER H 1.0 1.8 6.5 351 344 A 68 THR HG2% A 70 SER H 1.0 1.8 5.5 352 345 A 66 LEU HG A 70 SER H 1.0 1.8 5.5 353 346 A 77 VAL HGx% A 70 SER H 1.0 1.8 5.5 354 347 A 77 VAL HGy% A 70 SER H 1.0 1.8 5.5 355 348 A 66 LEU HDx% A 70 SER H 1.0 1.8 5.5 356 349 A 71 LEU HDx% A 71 LEU H 1.0 1.8 4.5 357 350 A 68 THR HG2% A 71 LEU H 1.0 1.8 5.5 358 351 A 70 SER HA A 71 LEU H 1.0 1.8 4.5 359 352 A 71 LEU H A 67 CYS HA 1.0 1.8 4.5 360 353 A 69 GLU H A 71 LEU H 1.0 1.8 5.5 361 354 A 71 LEU H A 73 SER H 1.0 1.8 5.5 362 355 A 71 LEU HDx% A 72 LYS H 1.0 1.8 5.5 363 356 A 40 VAL HGx% A 72 LYS H 1.0 1.8 5.5 364 357 A 68 THR HG2% A 72 LYS H 1.0 1.8 5.5 365 358 A 72 LYS H A 71 LEU HBx 1.0 1.8 4.5 366 359 A 72 LYS H A 68 THR HA 1.0 1.8 5.5 367 360 A 73 SER H A 72 LYS H 1.0 1.8 4.5 368 361 A 70 SER H A 72 LYS H 1.0 1.8 5.5 369 362 A 77 VAL HGx% A 73 SER H 1.0 1.8 5.5 370 363 A 73 SER H A 72 LYS HGx 1.0 1.8 5.5 371 364 A 70 SER HBx A 73 SER H 1.0 1.8 6.5 372 365 A 73 SER H A 74 ASN HA 1.0 1.8 5.5 373 366 A 77 VAL H A 73 SER H 1.0 1.8 5.5 374 367 A 73 SER H A 76 ARG H 1.0 1.8 5.5 375 368 A 71 LEU H A 73 SER H 1.0 1.8 5.5 376 369 A 73 SER H A 75 GLY H 1.0 1.8 5.5 377 370 A 74 ASN H A 71 LEU HDy% 1.0 1.8 6.5 378 371 A 71 LEU HBx A 74 ASN H 1.0 1.8 6.5 379 372 A 74 ASN H A 75 GLY HAx 1.0 1.8 5.5 380 373 A 74 ASN H A 71 LEU HA 1.0 1.8 4.5 381 374 A 74 ASN H A 73 SER HBy 1.0 1.8 5.5 382 375 A 76 ARG H A 74 ASN H 1.0 1.8 5.5 383 376 A 72 LYS H A 74 ASN H 1.0 1.8 5.5 384 377 A 71 LEU H A 74 ASN H 1.0 1.8 5.5 385 378 A 75 GLY H A 76 ARG HBx 1.0 1.8 5.5 386 379 A 75 GLY H A 76 ARG HBy 1.0 1.8 5.5 387 380 A 75 GLY H A 74 ASN HBx 1.0 1.8 5.5 388 381 A 75 GLY H A 74 ASN HBy 1.0 1.8 4.5 389 382 A 75 GLY H A 71 LEU HA 1.0 1.8 4.5 390 383 A 77 VAL H A 75 GLY H 1.0 1.8 5.5 391 384 A 71 LEU H A 75 GLY H 1.0 1.8 5.5 392 385 A 77 VAL HGx% A 76 ARG H 1.0 1.8 5.5 393 386 A 76 ARG H A 76 ARG HGx 1.0 1.8 5.5 394 387 A 76 ARG H A 73 SER HBy 1.0 1.8 4.5 395 388 A 66 LEU H A 65 HIS HBy 1.0 1.8 4.5 396 389 A 74 ASN HA A 76 ARG H 1.0 1.8 5.5 397 390 A 76 ARG H A 73 SER HA 1.0 1.8 5.5 398 391 A 77 VAL HGy% A 77 VAL H 1.0 1.8 5.5 399 392 A 77 VAL HGx% A 77 VAL H 1.0 1.8 4.5 400 393 A 77 VAL H A 76 ARG HGx 1.0 1.8 4.5 401 394 A 77 VAL H A 76 ARG HBy 1.0 1.8 4.5 402 395 A 78 GLN HBx A 77 VAL H 1.0 1.8 6.5 403 396 A 77 VAL H A 56 ASP HBy 1.0 1.8 5.5 404 397 A 77 VAL H A 76 ARG HDx 1.0 1.8 5.5 405 398 A 77 VAL H A 75 GLY HAx 1.0 1.8 5.5 406 399 A 77 VAL H A 73 SER HBy 1.0 1.8 4.5 407 400 A 77 VAL H A 73 SER HA 1.0 1.8 6.5 408 401 A 78 GLN HA A 77 VAL H 1.0 1.8 5.5 409 402 A 77 VAL H A 73 SER H 1.0 1.8 5.5 410 403 A 78 GLN H A 77 VAL H 1.0 1.8 5.5 411 404 A 77 VAL H A 75 GLY H 1.0 1.8 4.5 412 405 A 78 GLN H A 77 VAL HGy% 1.0 1.8 4.5 413 406 A 78 GLN H A 77 VAL HGx% 1.0 1.8 5.5 414 407 A 78 GLN H A 77 VAL HB 1.0 1.8 5.5 415 408 A 78 GLN H A 78 GLN HBx 1.0 1.8 4.5 416 409 A 78 GLN H A 56 ASP HBy 1.0 1.8 5.5 417 410 A 78 GLN H A 54 GLY HAy 1.0 1.8 5.5 418 411 A 78 GLN H A 77 VAL H 1.0 1.8 5.5 419 412 A 78 GLN H A 78 GLN HE22 1.0 1.8 6.5 420 413 A 78 GLN H A 78 GLN HE21 1.0 1.8 5.5 421 414 A 79 PHE H A 78 GLN H 1.0 1.8 4.5 422 415 A 30 VAL HGx% A 79 PHE H 1.0 1.8 5.5 423 416 A 79 PHE H A 66 LEU HDx% 1.0 1.8 5.5 424 417 A 79 PHE H A 66 LEU HDy% 1.0 1.8 5.5 425 418 A 79 PHE H A 66 LEU HG 1.0 1.8 5.5 426 419 A 30 VAL HB A 79 PHE H 1.0 1.8 5.5 427 420 A 79 PHE H A 78 GLN HBx 1.0 1.8 4.5 428 421 A 79 PHE HD% A 79 PHE H 1.0 1.8 4.5 429 422 A 79 PHE H A 80 LEU H 1.0 1.8 5.5 430 423 A 80 LEU H A 80 LEU HDy% 1.0 1.8 5.5 431 424 A 52 VAL HB A 80 LEU H 1.0 1.8 5.5 432 425 A 53 CYS HBy A 80 LEU H 1.0 1.8 5.5 433 426 A 79 PHE HBx A 80 LEU H 1.0 1.8 4.5 434 427 A 79 PHE HBy A 80 LEU H 1.0 1.8 4.5 435 428 A 80 LEU H A 55 SER HA 1.0 1.8 5.5 436 429 A 80 LEU H A 54 GLY HAx 1.0 1.8 4.5 437 430 A 81 HIS HBy A 80 LEU H 1.0 1.8 6.5 438 431 A 80 LEU H A 55 SER HBx 1.0 1.8 6.5 439 432 A 81 HIS HA A 80 LEU H 1.0 1.8 5.5 440 433 A 79 PHE HE% A 80 LEU H 1.0 1.8 5.5 441 434 A 53 CYS H A 80 LEU H 1.0 1.8 5.5 442 435 A 80 LEU H A 55 SER H 1.0 1.8 4.5 443 436 A 81 HIS H A 80 LEU HDx% 1.0 1.8 5.5 444 437 A 80 LEU HDy% A 81 HIS H 1.0 1.8 5.5 445 438 A 52 VAL HB A 81 HIS H 1.0 1.8 5.5 446 439 A 79 PHE HBy A 81 HIS H 1.0 1.8 6.5 447 440 A 81 HIS H A 81 HIS HBx 1.0 1.8 4.5 448 441 A 81 HIS HBy A 81 HIS H 1.0 1.8 4.5 449 442 A 81 HIS H A 55 SER HA 1.0 1.8 6.5 450 443 A 81 HIS H A 54 GLY HAx 1.0 1.8 5.5 451 444 A 81 HIS H A 52 VAL HA 1.0 1.8 5.5 452 445 A 81 HIS H A 82 ASP HA 1.0 1.8 5.5 453 446 A 53 CYS HA A 81 HIS H 1.0 1.8 5.5 454 447 A 81 HIS H A 81 HIS HD2 1.0 1.8 4.5 455 448 A 79 PHE HE% A 81 HIS H 1.0 1.8 5.5 456 449 A 81 HIS HE1 A 81 HIS H 1.0 1.8 6.5 457 450 A 54 GLY H A 81 HIS H 1.0 1.8 5.5 458 451 A 82 ASP H A 81 HIS H 1.0 1.8 4.5 459 452 A 52 VAL HGx% A 82 ASP H 1.0 1.8 5.5 460 453 A 52 VAL HB A 82 ASP H 1.0 1.8 6.5 461 454 A 82 ASP H A 53 CYS HBy 1.0 1.8 5.5 462 455 A 82 ASP H A 52 VAL HA 1.0 1.8 5.5 463 456 A 82 ASP H A 81 HIS H 1.0 1.8 4.5 464 457 A 83 GLY H A 82 ASP H 1.0 1.8 5.5 465 458 A 53 CYS H A 82 ASP H 1.0 1.8 5.5 466 459 A 52 VAL HGy% A 83 GLY H 1.0 1.8 5.5 467 460 A 52 VAL HGx% A 83 GLY H 1.0 1.8 4.5 468 461 A 83 GLY H A 51 PRO HBy 1.0 1.8 5.5 469 462 A 52 VAL HB A 83 GLY H 1.0 1.8 4.5 470 463 A 83 GLY H A 53 CYS HBy 1.0 1.8 5.5 471 464 A 51 PRO HDy A 83 GLY H 1.0 1.8 6.5 472 465 A 79 PHE HE% A 83 GLY H 1.0 1.8 5.5 473 466 A 53 CYS H A 83 GLY H 1.0 1.8 4.5 474 467 A 83 GLY H A 82 ASP H 1.0 1.8 5.5 475 468 A 59 THR HG2% A 84 SER H 1.0 1.8 5.5 476 469 A 51 PRO HBy A 84 SER H 1.0 1.8 4.5 477 470 A 49 TYR HE% A 84 SER H 1.0 1.8 6.5 478 471 A 81 HIS HE1 A 84 SER H 1.0 1.8 5.5 479 472 A 59 THR HG2% A 85 CYS H 1.0 1.8 4.5 480 473 A 51 PRO HBy A 85 CYS H 1.0 1.8 6.5 481 474 A 51 PRO HBx A 85 CYS H 1.0 1.8 6.5 482 475 A 53 CYS HBy A 85 CYS H 1.0 1.8 5.5 483 476 A 85 CYS H A 59 THR HA 1.0 1.8 4.5 484 477 A 53 CYS HA A 85 CYS H 1.0 1.8 5.5 485 478 A 85 CYS H A 84 SER H 1.0 1.8 5.5 486 479 A 59 THR H A 85 CYS H 1.0 1.8 5.5 487 480 A 81 HIS HE1 A 85 CYS H 1.0 1.8 5.5 488 481 A 62 ASN HD2x A 50 LEU HDx% 1.0 1.8 5.5 489 482 A 62 ASN HD2x A 48 THR HG2% 1.0 1.8 5.5 490 483 A 62 ASN HD2x A 50 LEU HBx 1.0 1.8 5.5 491 484 A 62 ASN HD2x A 46 PRO HBy 1.0 1.8 4.5 492 485 A 62 ASN HD2x A 46 PRO HGx 1.0 1.8 4.5 493 486 A 62 ASN HD2x A 46 PRO HBx 1.0 1.8 5.5 494 487 A 62 ASN HD2x A 64 CYS HBy 1.0 1.8 5.5 495 488 A 62 ASN HD2x A 46 PRO HDx 1.0 1.8 5.5 496 489 A 62 ASN HD2y A 50 LEU HDx% 1.0 1.8 6.5 497 490 A 62 ASN HD2y A 46 PRO HBy 1.0 1.8 5.5 498 491 A 62 ASN HD2y A 46 PRO HGx 1.0 1.8 4.5 499 492 A 62 ASN HD2y A 45 CYS HBx 1.0 1.8 5.5 500 493 A 62 ASN HD2y A 45 CYS HBy 1.0 1.8 5.5 501 494 A 62 ASN HD2y A 64 CYS HBy 1.0 1.8 5.5 502 495 A 46 PRO HDy A 62 ASN HD2y 1.0 1.8 5.5 503 496 A 46 PRO HDy A 62 ASN HD2x 1.0 1.8 5.5 504 497 A 62 ASN HD2x A 47 ILE HA 1.0 1.8 5.5 505 498 A 62 ASN HD2y A 47 ILE HA 1.0 1.8 5.5 506 499 A 62 ASN HD2y A 46 PRO HA 1.0 1.8 5.5 507 500 A 62 ASN HD2y A 45 CYS HA 1.0 1.8 5.5 508 501 A 48 THR H A 62 ASN HD2x 1.0 1.8 4.5 509 502 A 62 ASN HD2x A 50 LEU H 1.0 1.8 4.5 510 503 A 62 ASN HD2x A 64 CYS H 1.0 1.8 5.5 511 504 A 62 ASN HD2y A 64 CYS H 1.0 1.8 5.5 512 505 A 62 ASN HD2y A 50 LEU H 1.0 1.8 5.5 513 506 A 62 ASN HD2y A 63 GLU H 1.0 1.8 5.5 514 507 A 62 ASN HD2x A 63 GLU H 1.0 1.8 5.5 515 508 A 74 ASN HBx A 74 ASN HD2y 1.0 1.8 4.5 516 509 A 74 ASN HBy A 74 ASN HD2y 1.0 1.8 5.5 517 510 A 74 ASN HBy A 74 ASN HD2x 1.0 1.8 4.5 518 511 A 74 ASN HA A 74 ASN HD2x 1.0 1.8 5.5 519 512 A 74 ASN HA A 74 ASN HD2y 1.0 1.8 5.5 520 513 A 36 LYS HBy A 37 LYS H 1.0 1.8 5.5 521 514 A 36 LYS HA A 37 LYS H 1.0 1.8 5.5 522 515 A 78 GLN HA A 78 GLN HE21 1.0 1.8 5.5 523 516 A 78 GLN HA A 78 GLN HE22 1.0 1.8 6.5 524 517 A 75 GLY H A 78 GLN HE21 1.0 1.8 5.5 525 518 A 47 ILE HD1% A 48 THR H 1.0 1.8 5.5 526 519 A 31 ASP H A 32 CYS H 1.0 1.8 4.5 527 520 A 32 CYS H A 31 ASP HBy 1.0 1.8 5.5 528 521 A 32 CYS H A 33 SER HB2 1.0 1.8 5.5 529 521 A 32 CYS H A 33 SER HB3 1.0 1.8 5.5 530 522 A 29 LYS H A 28 LYS HB2 1.0 1.8 4.5 531 522 A 29 LYS H A 28 LYS HB3 1.0 1.8 4.5 532 523 A 31 ASP H A 63 GLU HGy 1.0 1.8 6.5 533 524 A 40 VAL H A 71 LEU HDx% 1.0 1.8 5.5 534 525 A 21 GLU HA A 22 ALA H 1.0 1.8 3.5 535 526 A 22 ALA HA A 23 ALA H 1.0 1.8 3.5 536 527 A 24 SER H A 23 ALA HA 1.0 1.8 3.5 537 528 A 24 SER H A 24 SER HA 1.0 1.8 4.5 538 529 A 25 LEU H A 25 LEU HB2 1.0 1.8 3.5 539 529 A 25 LEU H A 25 LEU HB3 1.0 1.8 3.5 540 530 A 68 THR H A 68 THR HA 1.0 1.8 2.8 541 531 A 26 SER H A 26 SER HA 1.0 1.8 3.5 542 532 A 68 THR H A 69 GLU H 1.0 1.8 4.5 543 533 A 68 THR H A 67 CYS H 1.0 1.8 4.5 544 534 A 40 VAL H A 40 VAL HB 1.0 1.8 3.5 545 535 A 28 LYS H A 28 LYS HB2 1.0 1.8 4.5 546 535 A 28 LYS H A 28 LYS HB3 1.0 1.8 4.5 547 536 A 40 VAL H A 40 VAL HA 1.0 1.8 4.5 548 537 A 28 LYS H A 28 LYS HA 1.0 1.8 4.5 549 538 A 28 LYS H A 27 PRO HA 1.0 1.8 2.8 550 539 A 29 LYS H A 28 LYS HA 1.0 1.8 2.8 551 540 A 30 VAL H A 30 VAL HB 1.0 1.8 3.5 552 541 A 30 VAL H A 30 VAL HA 1.0 1.8 3.5 553 542 A 31 ASP H A 31 ASP HBx 1.0 1.8 3.5 554 543 A 31 ASP H A 31 ASP HBy 1.0 1.8 3.5 555 544 A 31 ASP H A 31 ASP HA 1.0 1.8 4.5 556 545 A 32 CYS H A 32 CYS HBy 1.0 1.8 4.5 557 546 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.5 558 547 A 32 CYS H A 32 CYS HA 1.0 1.8 4.5 559 548 A 32 CYS H A 31 ASP HA 1.0 1.8 3.5 560 549 A 32 CYS H A 33 SER H 1.0 1.8 3.5 561 550 A 33 SER H A 33 SER HA 1.0 1.8 2.8 562 551 A 33 SER H A 34 ILE H 1.0 1.8 4.5 563 552 A 32 CYS H A 33 SER H 1.0 1.8 3.5 564 553 A 34 ILE H A 34 ILE HG1y 1.0 1.8 4.5 565 554 A 34 ILE H A 34 ILE HA 1.0 1.8 3.5 566 555 A 35 TYR H A 34 ILE H 1.0 1.8 4.5 567 556 A 35 TYR H A 34 ILE HG1y 1.0 1.8 3.5 568 557 A 35 TYR H A 35 TYR HBx 1.0 1.8 3.5 569 558 A 35 TYR H A 35 TYR HBy 1.0 1.8 4.5 570 559 A 35 TYR H A 34 ILE HA 1.0 1.8 4.5 571 560 A 35 TYR H A 35 TYR HA 1.0 1.8 4.5 572 561 A 35 TYR HD% A 35 TYR H 1.0 1.8 4.5 573 562 A 35 TYR H A 34 ILE H 1.0 1.8 3.5 574 563 A 35 TYR H A 36 LYS H 1.0 1.8 3.5 575 564 A 36 LYS HBx A 36 LYS H 1.0 1.8 3.5 576 565 A 36 LYS HA A 36 LYS H 1.0 1.8 4.5 577 566 A 35 TYR H A 36 LYS H 1.0 1.8 3.5 578 567 A 38 TYR H A 38 TYR HBx 1.0 1.8 4.5 579 568 A 38 TYR H A 38 TYR HBy 1.0 1.8 4.5 580 569 A 37 LYS HA A 38 TYR H 1.0 1.8 4.5 581 570 A 40 VAL H A 39 PRO HBy 1.0 1.8 4.5 582 571 A 40 VAL H A 39 PRO HA 1.0 1.8 2.8 583 572 A 41 VAL H A 41 VAL HGy% 1.0 1.8 4.5 584 573 A 41 VAL H A 41 VAL HGx% 1.0 1.8 4.5 585 574 A 41 VAL H A 40 VAL HB 1.0 1.8 4.5 586 575 A 41 VAL H A 41 VAL HB 1.0 1.8 4.5 587 576 A 41 VAL H A 41 VAL HA 1.0 1.8 4.5 588 577 A 41 VAL H A 42 ALA H 1.0 1.8 4.5 589 578 A 40 VAL H A 41 VAL H 1.0 1.8 4.5 590 579 A 42 ALA H A 42 ALA HB% 1.0 1.8 4.5 591 580 A 39 PRO HBy A 42 ALA H 1.0 1.8 4.5 592 581 A 42 ALA H A 41 VAL HA 1.0 1.8 4.5 593 582 A 42 ALA HA A 42 ALA H 1.0 1.8 3.5 594 583 A 41 VAL H A 42 ALA H 1.0 1.8 3.5 595 584 A 43 ILE H A 42 ALA H 1.0 1.8 4.5 596 585 A 43 ILE H A 43 ILE HG1x 1.0 1.8 4.5 597 586 A 43 ILE H A 43 ILE HB 1.0 1.8 3.5 598 587 A 43 ILE HG1y A 43 ILE H 1.0 1.8 4.5 599 588 A 43 ILE H A 43 ILE HA 1.0 1.8 3.5 600 589 A 42 ALA HA A 43 ILE H 1.0 1.8 3.5 601 590 A 43 ILE H A 42 ALA H 1.0 1.8 4.5 602 591 A 45 CYS H A 44 PRO HB2 1.0 1.8 4.5 603 591 A 45 CYS H A 44 PRO HB3 1.0 1.8 4.5 604 592 A 45 CYS H A 45 CYS HBx 1.0 1.8 3.5 605 593 A 45 CYS H A 45 CYS HBy 1.0 1.8 4.5 606 594 A 45 CYS H A 44 PRO HA 1.0 1.8 2.8 607 595 A 45 CYS H A 45 CYS HA 1.0 1.8 4.5 608 596 A 47 ILE H A 47 ILE HG2% 1.0 1.8 4.5 609 597 A 47 ILE H A 47 ILE HG1y 1.0 1.8 3.5 610 598 A 47 ILE H A 47 ILE HG1x 1.0 1.8 3.5 611 599 A 47 ILE H A 46 PRO HBy 1.0 1.8 3.5 612 600 A 47 ILE H A 46 PRO HBx 1.0 1.8 3.5 613 601 A 47 ILE H A 47 ILE HA 1.0 1.8 3.5 614 602 A 47 ILE H A 46 PRO HA 1.0 1.8 2.8 615 603 A 47 ILE H A 48 THR H 1.0 1.8 3.5 616 604 A 48 THR H A 46 PRO HBy 1.0 1.8 3.5 617 605 A 48 THR H A 46 PRO HBx 1.0 1.8 4.5 618 606 A 48 THR H A 47 ILE HA 1.0 1.8 3.5 619 607 A 48 THR H A 46 PRO HA 1.0 1.8 4.5 620 608 A 47 ILE H A 48 THR H 1.0 1.8 3.5 621 609 A 49 TYR H A 49 TYR HBx 1.0 1.8 3.5 622 610 A 49 TYR H A 49 TYR HBy 1.0 1.8 3.5 623 611 A 49 TYR HA A 49 TYR H 1.0 1.8 4.5 624 612 A 50 LEU H A 50 LEU HBx 1.0 1.8 3.5 625 613 A 50 LEU H A 50 LEU HBy 1.0 1.8 4.5 626 614 A 50 LEU H A 49 TYR HBx 1.0 1.8 4.5 627 615 A 50 LEU H A 62 ASN HBy 1.0 1.8 3.5 628 616 A 50 LEU HA A 50 LEU H 1.0 1.8 3.5 629 617 A 52 VAL HGy% A 52 VAL H 1.0 1.8 4.5 630 618 A 52 VAL HGx% A 52 VAL H 1.0 1.8 4.5 631 619 A 52 VAL H A 51 PRO HBy 1.0 1.8 4.5 632 620 A 52 VAL H A 52 VAL HA 1.0 1.8 3.5 633 621 A 52 VAL H A 60 TYR H 1.0 1.8 4.5 634 622 A 52 VAL HB A 53 CYS H 1.0 1.8 3.5 635 623 A 53 CYS H A 53 CYS HBy 1.0 1.8 3.5 636 624 A 53 CYS H A 52 VAL HA 1.0 1.8 2.8 637 625 A 53 CYS H A 82 ASP HA 1.0 1.8 4.5 638 626 A 53 CYS HA A 53 CYS H 1.0 1.8 4.5 639 627 A 53 CYS H A 81 HIS H 1.0 1.8 4.5 640 628 A 54 GLY H A 54 GLY HAx 1.0 1.8 3.5 641 629 A 54 GLY H A 54 GLY HAy 1.0 1.8 3.5 642 630 A 53 CYS HA A 54 GLY H 1.0 1.8 2.8 643 631 A 60 TYR HD% A 54 GLY H 1.0 1.8 4.5 644 632 A 54 GLY H A 58 ILE H 1.0 1.8 4.5 645 633 A 55 SER H A 80 LEU HBy 1.0 1.8 4.5 646 634 A 55 SER H A 55 SER HBx 1.0 1.8 3.5 647 635 A 55 SER H A 55 SER HA 1.0 1.8 3.5 648 636 A 55 SER H A 54 GLY HAx 1.0 1.8 3.5 649 637 A 55 SER H A 54 GLY HAy 1.0 1.8 3.5 650 638 A 78 GLN H A 55 SER H 1.0 1.8 3.5 651 639 A 55 SER H A 56 ASP H 1.0 1.8 3.5 652 640 A 56 ASP HBx A 56 ASP H 1.0 1.8 3.5 653 641 A 56 ASP H A 56 ASP HBy 1.0 1.8 3.5 654 642 A 56 ASP H A 55 SER HA 1.0 1.8 4.5 655 643 A 56 ASP H A 57 TYR HA 1.0 1.8 5.5 656 644 A 56 ASP H A 54 GLY HAx 1.0 1.8 4.5 657 645 A 56 ASP HA A 56 ASP H 1.0 1.8 3.5 658 646 A 58 ILE H A 56 ASP H 1.0 1.8 4.5 659 647 A 57 TYR H A 56 ASP H 1.0 1.8 3.5 660 648 A 55 SER H A 56 ASP H 1.0 1.8 3.5 661 649 A 47 ILE H A 46 PRO HBy 1.0 1.8 4.5 662 650 A 56 ASP HBx A 57 TYR H 1.0 1.8 4.5 663 651 A 57 TYR H A 57 TYR HBy 1.0 1.8 4.5 664 652 A 57 TYR H A 55 SER HA 1.0 1.8 4.5 665 653 A 58 ILE H A 57 TYR H 1.0 1.8 3.5 666 654 A 57 TYR H A 56 ASP H 1.0 1.8 3.5 667 655 A 58 ILE HG1x A 58 ILE H 1.0 1.8 3.5 668 656 A 58 ILE H A 58 ILE HG1y 1.0 1.8 4.5 669 657 A 58 ILE HB A 58 ILE H 1.0 1.8 2.8 670 658 A 58 ILE H A 57 TYR H 1.0 1.8 3.5 671 659 A 54 GLY H A 58 ILE H 1.0 1.8 4.5 672 660 A 58 ILE H A 56 ASP H 1.0 1.8 4.5 673 661 A 58 ILE HG2% A 59 THR H 1.0 1.8 4.5 674 662 A 59 THR H A 59 THR HA 1.0 1.8 4.5 675 663 A 60 TYR H A 59 THR HG2% 1.0 1.8 4.5 676 664 A 60 TYR HBx A 60 TYR H 1.0 1.8 3.5 677 665 A 60 TYR HBy A 60 TYR H 1.0 1.8 4.5 678 666 A 60 TYR H A 60 TYR HA 1.0 1.8 3.5 679 667 A 60 TYR H A 59 THR HA 1.0 1.8 2.8 680 668 A 53 CYS HA A 60 TYR H 1.0 1.8 4.5 681 669 A 60 TYR HD% A 60 TYR H 1.0 1.8 4.5 682 670 A 52 VAL H A 60 TYR H 1.0 1.8 4.5 683 671 A 60 TYR HBy A 61 GLY H 1.0 1.8 4.5 684 672 A 61 GLY HAx A 61 GLY H 1.0 1.8 3.5 685 673 A 61 GLY HAy A 61 GLY H 1.0 1.8 3.5 686 674 A 61 GLY H A 60 TYR HA 1.0 1.8 2.8 687 675 A 62 ASN H A 61 GLY H 1.0 1.8 4.5 688 676 A 62 ASN H A 60 TYR HBx 1.0 1.8 4.5 689 677 A 62 ASN H A 60 TYR HBy 1.0 1.8 3.5 690 678 A 62 ASN H A 65 HIS HBx 1.0 1.8 3.5 691 679 A 61 GLY HAy A 62 ASN H 1.0 1.8 4.5 692 680 A 62 ASN H A 62 ASN HA 1.0 1.8 3.5 693 681 A 62 ASN H A 65 HIS HD2 1.0 1.8 3.5 694 682 A 62 ASN H A 61 GLY H 1.0 1.8 3.5 695 683 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.5 696 684 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.5 697 685 A 62 ASN HBx A 63 GLU H 1.0 1.8 3.5 698 686 A 63 GLU H A 62 ASN HBy 1.0 1.8 3.5 699 687 A 63 GLU H A 63 GLU HA 1.0 1.8 3.5 700 688 A 63 GLU H A 62 ASN HA 1.0 1.8 3.5 701 689 A 63 GLU H A 64 CYS H 1.0 1.8 4.5 702 690 A 64 CYS H A 64 CYS HA 1.0 1.8 3.5 703 691 A 65 HIS H A 64 CYS H 1.0 1.8 3.5 704 692 A 63 GLU H A 64 CYS H 1.0 1.8 4.5 705 693 A 65 HIS HBx A 65 HIS H 1.0 1.8 3.5 706 694 A 65 HIS H A 65 HIS HBy 1.0 1.8 4.5 707 695 A 65 HIS H A 65 HIS HA 1.0 1.8 3.5 708 696 A 66 LEU H A 65 HIS H 1.0 1.8 3.5 709 697 A 65 HIS H A 64 CYS H 1.0 1.8 3.5 710 698 A 66 LEU H A 66 LEU HBx 1.0 1.8 3.5 711 699 A 66 LEU H A 66 LEU HBy 1.0 1.8 3.5 712 700 A 60 TYR HBx A 66 LEU H 1.0 1.8 4.5 713 701 A 66 LEU H A 66 LEU HA 1.0 1.8 3.5 714 702 A 65 HIS HBx A 66 LEU H 1.0 1.8 3.5 715 703 A 66 LEU H A 65 HIS HBy 1.0 1.8 4.5 716 704 A 66 LEU H A 63 GLU HA 1.0 1.8 4.5 717 705 A 66 LEU H A 65 HIS HA 1.0 1.8 4.5 718 706 A 66 LEU H A 65 HIS H 1.0 1.8 3.5 719 707 A 66 LEU H A 67 CYS H 1.0 1.8 3.5 720 708 A 66 LEU HBx A 67 CYS H 1.0 1.8 3.5 721 709 A 66 LEU HBy A 67 CYS H 1.0 1.8 4.5 722 710 A 67 CYS HBx A 67 CYS H 1.0 1.8 3.5 723 711 A 67 CYS H A 67 CYS HBy 1.0 1.8 3.5 724 712 A 67 CYS H A 66 LEU HA 1.0 1.8 4.5 725 713 A 67 CYS H A 67 CYS HA 1.0 1.8 3.5 726 714 A 66 LEU H A 67 CYS H 1.0 1.8 3.5 727 715 A 68 THR H A 67 CYS H 1.0 1.8 4.5 728 716 A 69 GLU H A 69 GLU HBx 1.0 1.8 3.5 729 717 A 69 GLU H A 69 GLU HBy 1.0 1.8 3.5 730 718 A 69 GLU H A 68 THR HA 1.0 1.8 4.5 731 719 A 69 GLU H A 69 GLU HA 1.0 1.8 3.5 732 720 A 69 GLU H A 68 THR HB 1.0 1.8 3.5 733 721 A 68 THR H A 69 GLU H 1.0 1.8 4.5 734 722 A 69 GLU H A 70 SER H 1.0 1.8 3.5 735 723 A 71 LEU H A 70 SER H 1.0 1.8 4.5 736 724 A 69 GLU H A 70 SER H 1.0 1.8 3.5 737 725 A 70 SER H A 67 CYS HA 1.0 1.8 3.5 738 726 A 70 SER H A 70 SER HBy 1.0 1.8 3.5 739 727 A 70 SER HA A 70 SER H 1.0 1.8 3.5 740 728 A 70 SER HBx A 70 SER H 1.0 1.8 3.5 741 729 A 70 SER H A 69 GLU HBy 1.0 1.8 4.5 742 730 A 70 SER H A 69 GLU HBx 1.0 1.8 4.5 743 731 A 71 LEU H A 71 LEU HBx 1.0 1.8 3.5 744 732 A 70 SER HBx A 71 LEU H 1.0 1.8 4.5 745 733 A 71 LEU H A 72 LYS H 1.0 1.8 3.5 746 734 A 71 LEU H A 70 SER H 1.0 1.8 4.5 747 735 A 72 LYS H A 72 LYS HGy 1.0 1.8 4.5 748 736 A 72 LYS H A 72 LYS HA 1.0 1.8 4.5 749 737 A 72 LYS H A 71 LEU HA 1.0 1.8 4.5 750 738 A 71 LEU H A 72 LYS H 1.0 1.8 4.5 751 739 A 73 SER H A 72 LYS HB2 1.0 1.8 4.5 752 739 A 73 SER H A 72 LYS HB3 1.0 1.8 4.5 753 740 A 73 SER H A 73 SER HBy 1.0 1.8 4.5 754 741 A 73 SER H A 73 SER HA 1.0 1.8 3.5 755 742 A 73 SER H A 72 LYS H 1.0 1.8 3.5 756 743 A 74 ASN H A 74 ASN HBx 1.0 1.8 4.5 757 744 A 74 ASN H A 74 ASN HBy 1.0 1.8 4.5 758 745 A 75 GLY H A 74 ASN H 1.0 1.8 3.5 759 746 A 75 GLY H A 75 GLY HAx 1.0 1.8 3.5 760 747 A 75 GLY H A 75 GLY HAy 1.0 1.8 3.5 761 748 A 74 ASN HA A 75 GLY H 1.0 1.8 3.5 762 749 A 76 ARG H A 75 GLY H 1.0 1.8 4.5 763 750 A 75 GLY H A 74 ASN H 1.0 1.8 3.5 764 751 A 76 ARG H A 76 ARG HBy 1.0 1.8 3.5 765 752 A 76 ARG H A 75 GLY HAx 1.0 1.8 4.5 766 753 A 76 ARG H A 76 ARG HA 1.0 1.8 3.5 767 754 A 66 LEU H A 66 LEU HA 1.0 1.8 3.5 768 755 A 77 VAL H A 76 ARG H 1.0 1.8 3.5 769 756 A 76 ARG H A 75 GLY H 1.0 1.8 3.5 770 757 A 66 LEU H A 65 HIS H 1.0 1.8 4.5 771 758 A 77 VAL HB A 77 VAL H 1.0 1.8 3.5 772 759 A 77 VAL H A 77 VAL HA 1.0 1.8 4.5 773 760 A 77 VAL H A 76 ARG H 1.0 1.8 3.5 774 761 A 78 GLN H A 55 SER HBx 1.0 1.8 4.5 775 762 A 78 GLN H A 77 VAL HA 1.0 1.8 2.8 776 763 A 78 GLN H A 55 SER HBy 1.0 1.8 4.5 777 764 A 78 GLN H A 78 GLN HA 1.0 1.8 4.5 778 765 A 78 GLN H A 55 SER H 1.0 1.8 3.5 779 766 A 79 PHE H A 78 GLN HG2 1.0 1.8 4.5 780 766 A 79 PHE H A 78 GLN HG3 1.0 1.8 4.5 781 767 A 79 PHE HBx A 79 PHE H 1.0 1.8 3.5 782 768 A 79 PHE HBy A 79 PHE H 1.0 1.8 3.5 783 769 A 79 PHE H A 79 PHE HA 1.0 1.8 3.5 784 770 A 79 PHE H A 78 GLN HA 1.0 1.8 3.5 785 771 A 80 LEU H A 80 LEU HBx 1.0 1.8 3.5 786 772 A 80 LEU H A 80 LEU HG 1.0 1.8 4.5 787 773 A 80 LEU H A 80 LEU HBy 1.0 1.8 3.5 788 774 A 79 PHE HA A 80 LEU H 1.0 1.8 2.8 789 775 A 80 LEU H A 80 LEU HA 1.0 1.8 3.5 790 776 A 80 LEU H A 54 GLY HAy 1.0 1.8 4.5 791 777 A 80 LEU H A 81 HIS H 1.0 1.8 3.5 792 778 A 81 HIS H A 80 LEU HBx 1.0 1.8 4.5 793 779 A 81 HIS H A 80 LEU HBy 1.0 1.8 3.5 794 780 A 53 CYS HBy A 81 HIS H 1.0 1.8 4.5 795 781 A 79 PHE HA A 81 HIS H 1.0 1.8 4.5 796 782 A 81 HIS HA A 81 HIS H 1.0 1.8 3.5 797 783 A 81 HIS H A 80 LEU HA 1.0 1.8 4.5 798 784 A 80 LEU H A 81 HIS H 1.0 1.8 3.5 799 785 A 53 CYS H A 81 HIS H 1.0 1.8 4.5 800 786 A 82 ASP H A 81 HIS HBx 1.0 1.8 3.5 801 787 A 81 HIS HBy A 82 ASP H 1.0 1.8 4.5 802 788 A 81 HIS HA A 82 ASP H 1.0 1.8 2.8 803 789 A 82 ASP H A 82 ASP HA 1.0 1.8 3.5 804 790 A 83 GLY HAx A 83 GLY H 1.0 1.8 3.5 805 791 A 83 GLY H A 83 GLY HAy 1.0 1.8 3.5 806 792 A 83 GLY H A 52 VAL HA 1.0 1.8 3.5 807 793 A 83 GLY H A 82 ASP HA 1.0 1.8 2.8 808 794 A 83 GLY H A 84 SER H 1.0 1.8 4.5 809 795 A 83 GLY HAx A 84 SER H 1.0 1.8 2.8 810 796 A 84 SER H A 84 SER HBx 1.0 1.8 3.5 811 797 A 84 SER H A 84 SER HBy 1.0 1.8 3.5 812 798 A 84 SER HA A 84 SER H 1.0 1.8 3.5 813 799 A 84 SER H A 83 GLY HAy 1.0 1.8 2.8 814 800 A 83 GLY H A 84 SER H 1.0 1.8 4.5 815 801 A 85 CYS HBx A 85 CYS H 1.0 1.8 3.5 816 802 A 85 CYS HBy A 85 CYS H 1.0 1.8 4.5 817 803 A 85 CYS H A 84 SER HBx 1.0 1.8 4.5 818 804 A 85 CYS H A 84 SER HBy 1.0 1.8 4.5 819 805 A 84 SER HA A 85 CYS H 1.0 1.8 2.8 820 806 A 85 CYS H A 85 CYS HA 1.0 1.8 3.5 821 807 A 62 ASN HBx A 62 ASN HD2x 1.0 1.8 3.5 822 808 A 62 ASN HD2x A 62 ASN HBy 1.0 1.8 3.5 823 809 A 62 ASN HBx A 62 ASN HD2y 1.0 1.8 4.5 824 810 A 62 ASN HD2y A 62 ASN HBy 1.0 1.8 4.5 825 811 A 74 ASN HBx A 74 ASN HD2x 1.0 1.8 4.5 826 812 A 78 GLN HBx A 78 GLN HE21 1.0 1.8 4.5 827 813 A 78 GLN HBx A 78 GLN HE22 1.0 1.8 5.5 828 814 A 75 GLY HAx A 78 GLN HE21 1.0 1.8 4.5 829 815 A 75 GLY HAx A 78 GLN HE22 1.0 1.8 4.5 830 816 A 78 GLN HE21 A 75 GLY HAy 1.0 1.8 4.5 831 817 A 78 GLN HE22 A 75 GLY HAy 1.0 1.8 4.5 832 818 A 30 VAL H A 29 LYS HA 1.0 1.8 2.8 833 819 A 31 ASP H A 30 VAL HA 1.0 1.8 2.8 834 820 A 49 TYR H A 48 THR HA 1.0 1.8 2.8 835 821 A 49 TYR HA A 50 LEU H 1.0 1.8 2.8 836 822 A 51 PRO HA A 52 VAL H 1.0 1.8 2.8 837 823 A 57 TYR H A 57 TYR HA 1.0 1.8 2.8 838 824 A 74 ASN HA A 74 ASN H 1.0 1.8 2.8 stop_ save_ save_CNS/XPLOR_distance_constraints_6 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_6 _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 35 TYR HD% A 43 ILE HG2% 1.0 1.8 5.5 2 2 A 34 ILE HD1% A 35 TYR HE% 1.0 1.8 5.5 3 3 A 79 PHE HD% A 79 PHE HA 1.0 1.8 5.5 4 4 A 79 PHE HD% A 52 VAL HGx% 1.0 1.8 5.5 5 5 A 30 VAL HGx% A 79 PHE HD% 1.0 1.8 5.5 6 6 A 79 PHE HD% A 66 LEU HDx% 1.0 1.8 5.5 7 7 A 79 PHE HD% A 66 LEU HDy% 1.0 1.8 5.5 8 8 A 79 PHE HD% A 79 PHE H 1.0 1.8 5.5 9 9 A 35 TYR HD% A 38 TYR HD% 1.0 1.8 5.5 10 10 A 35 TYR HD% A 67 CYS HBx 1.0 1.8 5.5 11 11 A 43 ILE HG2% A 38 TYR HD% 1.0 1.8 5.5 12 12 A 38 TYR HD% A 43 ILE HG1x 1.0 1.8 5.5 13 13 A 38 TYR HE% A 43 ILE HG2% 1.0 1.8 5.5 14 14 A 38 TYR HE% A 44 PRO HGx 1.0 1.8 5.5 15 15 A 38 TYR HE% A 44 PRO HDy 1.0 1.8 5.5 16 16 A 38 TYR HE% A 44 PRO HDx 1.0 1.8 5.5 17 17 A 38 TYR HE% A 43 ILE HB 1.0 1.8 6.5 18 18 A 38 TYR HA A 38 TYR HE% 1.0 1.8 5.5 19 19 A 79 PHE HD% A 80 LEU HA 1.0 1.8 5.5 20 20 A 79 PHE HD% A 52 VAL HB 1.0 1.8 5.5 21 21 A 79 PHE HBy A 79 PHE HE% 1.0 1.8 5.5 22 22 A 52 VAL HB A 79 PHE HE% 1.0 1.8 5.5 23 23 A 65 HIS HA A 65 HIS HE1 1.0 1.8 5.5 24 24 A 53 CYS HA A 81 HIS HE1 1.0 1.8 6.5 25 25 A 81 HIS HE1 A 84 SER H 1.0 1.8 5.5 26 26 A 81 HIS HE1 A 85 CYS H 1.0 1.8 5.5 27 27 A 81 HIS HE1 A 81 HIS HD2 1.0 1.8 5.5 28 28 A 81 HIS HE1 A 85 CYS HBx 1.0 1.8 5.5 29 29 A 80 LEU HDy% A 81 HIS HD2 1.0 1.8 5.5 30 30 A 35 TYR HD% A 35 TYR HA 1.0 1.8 4.5 31 31 A 32 CYS HA A 35 TYR HD% 1.0 1.8 4.5 32 32 A 35 TYR HD% A 35 TYR HBy 1.0 1.8 3.5 33 33 A 35 TYR HD% A 35 TYR HBx 1.0 1.8 3.5 34 34 A 35 TYR HD% A 34 ILE HG1y 1.0 1.8 4.5 35 35 A 38 TYR HE% A 38 TYR HD% 1.0 1.8 3.5 36 36 A 38 TYR HA A 38 TYR HD% 1.0 1.8 4.5 37 37 A 38 TYR HBx A 38 TYR HD% 1.0 1.8 3.5 38 38 A 38 TYR HBy A 38 TYR HD% 1.0 1.8 3.5 39 39 A 38 TYR HE% A 38 TYR HD% 1.0 1.8 3.5 40 40 A 38 TYR HE% A 38 TYR HBx 1.0 1.8 4.5 41 41 A 49 TYR HD% A 50 LEU H 1.0 1.8 4.5 42 42 A 49 TYR HE% A 49 TYR HD% 1.0 1.8 3.5 43 43 A 49 TYR HA A 49 TYR HD% 1.0 1.8 3.5 44 44 A 49 TYR HD% A 49 TYR HBy 1.0 1.8 3.5 45 45 A 49 TYR HD% A 49 TYR HBx 1.0 1.8 3.5 46 46 A 49 TYR HE% A 61 GLY HAx 1.0 1.8 4.5 47 47 A 49 TYR HE% A 49 TYR HD% 1.0 1.8 3.5 48 48 A 49 TYR HE% A 49 TYR HBx 1.0 1.8 4.5 49 49 A 32 CYS HA A 35 TYR HE% 1.0 1.8 4.5 50 50 A 57 TYR HD% A 57 TYR HBx 1.0 1.8 4.5 51 51 A 57 TYR HBy A 57 TYR HD% 1.0 1.8 3.5 52 52 A 57 TYR HD% A 57 TYR HA 1.0 1.8 4.5 53 53 A 57 TYR HD% A 57 TYR HE% 1.0 1.8 3.5 54 54 A 79 PHE HD% A 79 PHE HE% 1.0 1.8 3.5 55 55 A 79 PHE HBx A 79 PHE HD% 1.0 1.8 4.5 56 56 A 79 PHE HBy A 79 PHE HD% 1.0 1.8 4.5 57 57 A 80 LEU HDx% A 81 HIS HD2 1.0 1.8 4.5 58 58 A 81 HIS HBy A 81 HIS HD2 1.0 1.8 3.5 59 59 A 35 TYR HD% A 35 TYR H 1.0 1.8 4.5 60 60 A 35 TYR HE% A 34 ILE HG1y 1.0 1.8 4.5 61 61 A 38 TYR HD% A 44 PRO HGy 1.0 1.8 4.5 62 62 A 44 PRO HDy A 38 TYR HD% 1.0 1.8 4.5 63 63 A 39 PRO HDx A 38 TYR HD% 1.0 1.8 4.5 64 64 A 39 PRO HDy A 38 TYR HD% 1.0 1.8 4.5 65 65 A 35 TYR HA A 38 TYR HD% 1.0 1.8 4.5 66 66 A 35 TYR HA A 38 TYR HE% 1.0 1.8 4.5 67 67 A 49 TYR H A 49 TYR HD% 1.0 1.8 4.5 68 68 A 49 TYR HD% A 51 PRO HDx 1.0 1.8 4.5 69 69 A 49 TYR HD% A 61 GLY HAx 1.0 1.8 4.5 70 70 A 49 TYR HD% A 61 GLY HAy 1.0 1.8 4.5 71 71 A 57 TYR HBx A 57 TYR HE% 1.0 1.8 4.5 72 72 A 61 GLY HAy A 65 HIS HD2 1.0 1.8 3.5 73 73 A 62 ASN H A 65 HIS HD2 1.0 1.8 3.5 74 74 A 79 PHE HD% A 79 PHE HE% 1.0 1.8 4.5 75 75 A 81 HIS HBx A 81 HIS HD2 1.0 1.8 4.5 76 76 A 45 CYS HBx A 65 HIS HE1 1.0 1.8 4.5 77 77 A 45 CYS HBy A 65 HIS HE1 1.0 1.8 4.5 78 78 A 81 HIS HE1 A 85 CYS HBy 1.0 1.8 4.5 79 79 A 81 HIS HE1 A 53 CYS HBx 1.0 1.8 3.5 80 80 A 81 HIS HE1 A 53 CYS HBy 1.0 1.8 3.5 81 81 A 81 HIS HD2 A 80 LEU HG 1.0 1.8 2.8 82 82 A 81 HIS HE1 A 85 CYS HA 1.0 1.8 2.8 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 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 28 LYS HGx A 28 LYS HEy 1.0 1.8 5.5 2 2 A 28 LYS HGy A 28 LYS HEy 1.0 1.8 5.5 3 3 A 28 LYS HGy A 28 LYS HEx 1.0 1.8 5.5 4 4 A 52 VAL HGx% A 82 ASP HBx 1.0 1.8 5.5 5 5 A 79 PHE HBx A 30 VAL HA 1.0 1.8 5.5 6 6 A 31 ASP H A 30 VAL HB 1.0 1.8 5.5 7 7 A 79 PHE HBx A 30 VAL HB 1.0 1.8 5.5 8 8 A 79 PHE HBy A 30 VAL HB 1.0 1.8 5.5 9 9 A 30 VAL H A 30 VAL HGy% 1.0 1.8 5.5 10 10 A 30 VAL H A 30 VAL HGx% 1.0 1.8 5.5 11 11 A 30 VAL HGx% A 31 ASP H 1.0 1.8 5.5 12 12 A 30 VAL HGy% A 31 ASP H 1.0 1.8 5.5 13 13 A 30 VAL HGy% A 32 CYS H 1.0 1.8 5.5 14 14 A 30 VAL HGx% A 79 PHE HE% 1.0 1.8 5.5 15 15 A 30 VAL HGx% A 79 PHE HD% 1.0 1.8 5.5 16 16 A 30 VAL HGy% A 79 PHE HD% 1.0 1.8 5.5 17 17 A 30 VAL HGx% A 79 PHE HBx 1.0 1.8 5.5 18 18 A 30 VAL HGy% A 79 PHE HBx 1.0 1.8 5.5 19 19 A 30 VAL HGy% A 63 GLU HBy 1.0 1.8 5.5 20 20 A 30 VAL HGx% A 63 GLU HBy 1.0 1.8 5.5 21 21 A 30 VAL HGx% A 66 LEU HG 1.0 1.8 5.5 22 22 A 31 ASP HBy A 34 ILE HG2% 1.0 1.8 5.5 23 23 A 31 ASP HBx A 34 ILE HG2% 1.0 1.8 5.5 24 24 A 32 CYS HBy A 35 TYR HD% 1.0 1.8 6.5 25 25 A 32 CYS HBy A 71 LEU HDx% 1.0 1.8 5.5 26 26 A 77 VAL H A 70 SER HA 1.0 1.8 5.5 27 27 A 71 LEU HDx% A 33 SER HA 1.0 1.8 5.5 28 28 A 77 VAL HGy% A 70 SER HA 1.0 1.8 5.5 29 29 A 35 TYR H A 34 ILE HB 1.0 1.8 5.5 30 30 A 35 TYR H A 34 ILE HG1x 1.0 1.8 5.5 31 31 A 35 TYR HD% A 34 ILE HG1x 1.0 1.8 5.5 32 32 A 34 ILE HG1x A 35 TYR HE% 1.0 1.8 5.5 33 33 A 34 ILE HG1x A 34 ILE HA 1.0 1.8 5.5 34 34 A 71 LEU HDx% A 33 SER HA 1.0 1.8 5.5 35 35 A 34 ILE HG1x A 34 ILE HG2% 1.0 1.8 5.5 36 36 A 35 TYR H A 34 ILE HG2% 1.0 1.8 5.5 37 37 A 34 ILE H A 34 ILE HD1% 1.0 1.8 5.5 38 38 A 34 ILE HD1% A 35 TYR HE% 1.0 1.8 5.5 39 39 A 34 ILE HD1% A 34 ILE HA 1.0 1.8 5.5 40 40 A 35 TYR HBy A 43 ILE HG2% 1.0 1.8 5.5 41 41 A 35 TYR HBx A 43 ILE HG2% 1.0 1.8 5.5 42 42 A 36 LYS HBx A 37 LYS H 1.0 1.8 5.5 43 43 A 36 LYS HBy A 37 LYS H 1.0 1.8 5.5 44 44 A 36 LYS H A 36 LYS HGy 1.0 1.8 5.5 45 45 A 36 LYS H A 36 LYS HGx 1.0 1.8 5.5 46 46 A 36 LYS H A 36 LYS HD2 1.0 1.8 5.5 47 46 A 36 LYS H A 36 LYS HD3 1.0 1.8 5.5 48 47 A 37 LYS HGx A 37 LYS HE2 1.0 1.8 5.5 49 47 A 37 LYS HGx A 37 LYS HE3 1.0 1.8 5.5 50 48 A 39 PRO HDy A 38 TYR HBx 1.0 1.8 5.5 51 49 A 59 THR HG2% A 85 CYS HBx 1.0 1.8 5.5 52 50 A 40 VAL HGx% A 41 VAL H 1.0 1.8 5.5 53 51 A 40 VAL HGx% A 71 LEU HA 1.0 1.8 5.5 54 52 A 40 VAL HGx% A 71 LEU HBx 1.0 1.8 5.5 55 53 A 40 VAL HGx% A 71 LEU HBy 1.0 1.8 5.5 56 54 A 39 PRO HA A 40 VAL HGy% 1.0 1.8 5.5 57 55 A 40 VAL H A 40 VAL HGy% 1.0 1.8 5.5 58 56 A 77 VAL HGx% A 73 SER H 1.0 1.8 5.5 59 57 A 42 ALA H A 41 VAL HGy% 1.0 1.8 5.5 60 58 A 43 ILE H A 42 ALA HB% 1.0 1.8 5.5 61 59 A 39 PRO HBy A 42 ALA HB% 1.0 1.8 5.5 62 60 A 43 ILE H A 43 ILE HA 1.0 1.8 5.5 63 61 A 43 ILE HA A 38 TYR HD% 1.0 1.8 5.5 64 62 A 83 GLY H A 53 CYS HBx 1.0 1.8 5.5 65 63 A 43 ILE HB A 68 THR HB 1.0 1.8 5.5 66 64 A 38 TYR HBx A 43 ILE HB 1.0 1.8 5.5 67 65 A 68 THR HG2% A 43 ILE HB 1.0 1.8 5.5 68 66 A 43 ILE HG1y A 43 ILE HG2% 1.0 1.8 5.5 69 67 A 43 ILE HG2% A 43 ILE HG1x 1.0 1.8 5.5 70 68 A 43 ILE HG1y A 38 TYR HBx 1.0 1.8 5.5 71 69 A 38 TYR HBy A 43 ILE HG1x 1.0 1.8 5.5 72 70 A 40 VAL HA A 43 ILE HG1x 1.0 1.8 5.5 73 71 A 43 ILE H A 43 ILE HG2% 1.0 1.8 5.5 74 72 A 43 ILE HG2% A 38 TYR HD% 1.0 1.8 5.5 75 73 A 35 TYR HD% A 43 ILE HG2% 1.0 1.8 5.5 76 74 A 35 TYR HE% A 43 ILE HG2% 1.0 1.8 5.5 77 75 A 43 ILE HG2% A 45 CYS HA 1.0 1.8 5.5 78 76 A 35 TYR HA A 43 ILE HG2% 1.0 1.8 5.5 79 77 A 43 ILE HG2% A 46 PRO HDy 1.0 1.8 6.5 80 78 A 43 ILE HG2% A 44 PRO HDx 1.0 1.8 5.5 81 79 A 68 THR HG2% A 43 ILE HG2% 1.0 1.8 6.5 82 80 A 43 ILE HG2% A 43 ILE HG1x 1.0 1.8 5.5 83 81 A 43 ILE H A 43 ILE HD1% 1.0 1.8 5.5 84 82 A 38 TYR H A 43 ILE HD1% 1.0 1.8 5.5 85 83 A 35 TYR HD% A 43 ILE HD1% 1.0 1.8 5.5 86 84 A 35 TYR HBx A 43 ILE HD1% 1.0 1.8 5.5 87 85 A 43 ILE HG2% A 43 ILE HD1% 1.0 1.8 5.5 88 86 A 44 PRO HDy A 44 PRO HB2 1.0 1.8 5.5 89 86 A 44 PRO HDy A 44 PRO HB3 1.0 1.8 5.5 90 87 A 43 ILE HA A 44 PRO HGx 1.0 1.8 5.5 91 88 A 43 ILE HG2% A 44 PRO HDy 1.0 1.8 5.5 92 89 A 43 ILE HG2% A 44 PRO HDx 1.0 1.8 5.5 93 90 A 35 TYR HE% A 67 CYS HBx 1.0 1.8 5.5 94 91 A 45 CYS HA A 46 PRO HGy 1.0 1.8 5.5 95 92 A 45 CYS HA A 46 PRO HGx 1.0 1.8 5.5 96 93 A 47 ILE HA A 47 ILE HG1x 1.0 1.8 5.5 97 94 A 48 THR H A 47 ILE HG1y 1.0 1.8 5.5 98 95 A 48 THR H A 47 ILE HG1x 1.0 1.8 5.5 99 96 A 48 THR H A 47 ILE HG2% 1.0 1.8 5.5 100 97 A 47 ILE HG2% A 48 THR HA 1.0 1.8 6.5 101 98 A 47 ILE HD1% A 47 ILE HA 1.0 1.8 5.5 102 99 A 47 ILE H A 47 ILE HD1% 1.0 1.8 5.5 103 100 A 50 LEU HDx% A 48 THR HA 1.0 1.8 5.5 104 101 A 50 LEU HDx% A 48 THR HB 1.0 1.8 5.5 105 102 A 48 THR HB A 46 PRO HBx 1.0 1.8 5.5 106 103 A 62 ASN HD2x A 48 THR HB 1.0 1.8 5.5 107 104 A 49 TYR H A 48 THR HG2% 1.0 1.8 5.5 108 105 A 50 LEU HDx% A 48 THR HG2% 1.0 1.8 5.5 109 106 A 50 LEU H A 49 TYR HBx 1.0 1.8 5.5 110 107 A 49 TYR HE% A 49 TYR HBx 1.0 1.8 5.5 111 108 A 49 TYR HE% A 49 TYR HBy 1.0 1.8 5.5 112 109 A 62 ASN HA A 50 LEU HBx 1.0 1.8 5.5 113 110 A 50 LEU HBy A 62 ASN HBy 1.0 1.8 5.5 114 111 A 51 PRO HDy A 50 LEU HBy 1.0 1.8 5.5 115 112 A 51 PRO HDy A 50 LEU HBx 1.0 1.8 5.5 116 113 A 62 ASN HBx A 50 LEU HBx 1.0 1.8 5.5 117 114 A 48 THR HG2% A 50 LEU HBy 1.0 1.8 5.5 118 115 A 50 LEU HA A 50 LEU HDy% 1.0 1.8 5.5 119 116 A 52 VAL H A 51 PRO HBy 1.0 1.8 4.5 120 117 A 49 TYR HE% A 51 PRO HBy 1.0 1.8 5.5 121 118 A 49 TYR HE% A 51 PRO HBx 1.0 1.8 5.5 122 119 A 51 PRO HBy A 84 SER HA 1.0 1.8 5.5 123 120 A 83 GLY HAx A 51 PRO HBy 1.0 1.8 5.5 124 121 A 51 PRO HDy A 51 PRO HBx 1.0 1.8 5.5 125 122 A 83 GLY HAx A 51 PRO HGy 1.0 1.8 5.5 126 123 A 83 GLY HAx A 51 PRO HGy 1.0 1.8 5.5 127 124 A 49 TYR HE% A 51 PRO HGx 1.0 1.8 5.5 128 125 A 50 LEU H A 51 PRO HDx 1.0 1.8 5.5 129 126 A 49 TYR HE% A 51 PRO HDx 1.0 1.8 5.5 130 127 A 49 TYR HD% A 51 PRO HDx 1.0 1.8 5.5 131 128 A 44 PRO HDy A 38 TYR HD% 1.0 1.8 5.5 132 129 A 49 TYR HE% A 51 PRO HDy 1.0 1.8 5.5 133 130 A 51 PRO HDx A 83 GLY HAx 1.0 1.8 5.5 134 131 A 50 LEU HDx% A 51 PRO HDx 1.0 1.8 5.5 135 132 A 52 VAL HB A 83 GLY H 1.0 1.8 5.5 136 133 A 52 VAL H A 52 VAL HB 1.0 1.8 5.5 137 134 A 52 VAL HB A 66 LEU HDx% 1.0 1.8 5.5 138 135 A 52 VAL HGy% A 52 VAL HGx% 1.0 1.8 5.5 139 136 A 52 VAL HGx% A 82 ASP HBy 1.0 1.8 5.5 140 137 A 52 VAL HGx% A 51 PRO HA 1.0 1.8 5.5 141 138 A 79 PHE HD% A 52 VAL HGx% 1.0 1.8 5.5 142 139 A 52 VAL HGx% A 79 PHE HE% 1.0 1.8 5.5 143 140 A 52 VAL HGx% A 52 VAL H 1.0 1.8 5.5 144 141 A 52 VAL HGx% A 83 GLY H 1.0 1.8 5.5 145 142 A 52 VAL HGx% A 53 CYS H 1.0 1.8 5.5 146 143 A 52 VAL HGy% A 60 TYR H 1.0 1.8 5.5 147 144 A 52 VAL HGy% A 63 GLU H 1.0 1.8 5.5 148 145 A 52 VAL HGy% A 53 CYS H 1.0 1.8 5.5 149 146 A 52 VAL HGy% A 79 PHE HE% 1.0 1.8 5.5 150 147 A 52 VAL HGy% A 66 LEU H 1.0 1.8 5.5 151 148 A 52 VAL HGy% A 59 THR HA 1.0 1.8 5.5 152 149 A 52 VAL HGy% A 51 PRO HA 1.0 1.8 5.5 153 150 A 52 VAL HGy% A 60 TYR HBx 1.0 1.8 5.5 154 151 A 81 HIS HE1 A 53 CYS HBx 1.0 1.8 5.5 155 152 A 53 CYS HBx A 59 THR HA 1.0 1.8 5.5 156 153 A 53 CYS HBx A 85 CYS HA 1.0 1.8 5.5 157 154 A 80 LEU H A 54 GLY HAx 1.0 1.8 5.5 158 155 A 78 GLN HE22 A 75 GLY HAy 1.0 1.8 5.5 159 156 A 66 LEU HDx% A 54 GLY HAx 1.0 1.8 5.5 160 157 A 80 LEU H A 55 SER HA 1.0 1.8 5.5 161 158 A 81 HIS H A 55 SER HA 1.0 1.8 6.5 162 159 A 55 SER HA A 80 LEU HA 1.0 1.8 5.5 163 160 A 55 SER HA A 57 TYR HA 1.0 1.8 5.5 164 161 A 55 SER HBx A 80 LEU HDx% 1.0 1.8 5.5 165 162 A 80 LEU HDy% A 55 SER HBx 1.0 1.8 5.5 166 163 A 78 GLN H A 55 SER HBx 1.0 1.8 5.5 167 164 A 77 VAL HGy% A 56 ASP HA 1.0 1.8 5.5 168 165 A 77 VAL HGy% A 56 ASP HBy 1.0 1.8 5.5 169 166 A 56 ASP HBy A 58 ILE HG1y 1.0 1.8 5.5 170 167 A 56 ASP H A 57 TYR HA 1.0 1.8 5.5 171 168 A 58 ILE H A 57 TYR HBy 1.0 1.8 5.5 172 169 A 58 ILE H A 57 TYR HBx 1.0 1.8 5.5 173 170 A 57 TYR HBy A 57 TYR HE% 1.0 1.8 5.5 174 171 A 57 TYR HBx A 57 TYR HE% 1.0 1.8 5.5 175 172 A 76 ARG HA A 76 ARG HE 1.0 1.8 5.5 176 173 A 58 ILE HB A 56 ASP HBy 1.0 1.8 5.5 177 174 A 60 TYR HD% A 58 ILE HB 1.0 1.8 5.5 178 175 A 58 ILE HB A 59 THR H 1.0 1.8 5.5 179 176 A 58 ILE HB A 57 TYR H 1.0 1.8 5.5 180 177 A 59 THR H A 58 ILE HG1y 1.0 1.8 5.5 181 178 A 58 ILE HG1x A 56 ASP HBy 1.0 1.8 5.5 182 179 A 56 ASP HBy A 58 ILE HG1y 1.0 1.8 5.5 183 180 A 58 ILE H A 58 ILE HD1% 1.0 1.8 5.5 184 181 A 59 THR H A 58 ILE HD1% 1.0 1.8 5.5 185 182 A 58 ILE HG2% A 58 ILE H 1.0 1.8 5.5 186 183 A 60 TYR HD% A 58 ILE HG2% 1.0 1.8 5.5 187 184 A 58 ILE HG2% A 59 THR HA 1.0 1.8 5.5 188 185 A 58 ILE HG2% A 60 TYR HA 1.0 1.8 5.5 189 186 A 58 ILE HG2% A 58 ILE HD1% 1.0 1.8 5.5 190 187 A 60 TYR H A 59 THR HB 1.0 1.8 5.5 191 188 A 59 THR HB A 85 CYS H 1.0 1.8 5.5 192 189 A 59 THR HB A 59 THR HA 1.0 1.8 5.5 193 190 A 58 ILE HG2% A 59 THR HB 1.0 1.8 5.5 194 191 A 60 TYR H A 59 THR HG2% 1.0 1.8 5.5 195 192 A 59 THR HG2% A 85 CYS H 1.0 1.8 5.5 196 193 A 52 VAL H A 59 THR HG2% 1.0 1.8 5.5 197 194 A 59 THR H A 59 THR HG2% 1.0 1.8 5.5 198 195 A 59 THR HG2% A 84 SER H 1.0 1.8 5.5 199 196 A 53 CYS HA A 59 THR HG2% 1.0 1.8 5.5 200 197 A 59 THR HG2% A 84 SER HBx 1.0 1.8 5.5 201 198 A 59 THR HG2% A 51 PRO HBy 1.0 1.8 5.5 202 199 A 60 TYR HD% A 60 TYR HA 1.0 1.8 5.5 203 200 A 52 VAL HGy% A 60 TYR HBx 1.0 1.8 5.5 204 201 A 52 VAL HGx% A 82 ASP HBy 1.0 1.8 5.5 205 202 A 52 VAL H A 61 GLY HAx 1.0 1.8 5.5 206 203 A 62 ASN H A 61 GLY HAx 1.0 1.8 5.5 207 204 A 49 TYR HE% A 61 GLY HAy 1.0 1.8 5.5 208 205 A 49 TYR HE% A 61 GLY HAx 1.0 1.8 5.5 209 206 A 49 TYR HD% A 61 GLY HAx 1.0 1.8 5.5 210 207 A 49 TYR HD% A 61 GLY HAy 1.0 1.8 5.5 211 208 A 61 GLY HAx A 51 PRO HBx 1.0 1.8 5.5 212 209 A 61 GLY HAx A 59 THR HG2% 1.0 1.8 5.5 213 210 A 62 ASN HBx A 64 CYS H 1.0 1.8 5.5 214 211 A 62 ASN HBx A 62 ASN H 1.0 1.8 5.5 215 212 A 62 ASN H A 62 ASN HBy 1.0 1.8 5.5 216 213 A 79 PHE HBy A 30 VAL HB 1.0 1.8 5.5 217 214 A 62 ASN HBx A 50 LEU HBy 1.0 1.8 5.5 218 215 A 50 LEU HBy A 62 ASN HBy 1.0 1.8 5.5 219 216 A 62 ASN HBx A 50 LEU HBx 1.0 1.8 5.5 220 217 A 62 ASN HBy A 46 PRO HGy 1.0 1.8 5.5 221 218 A 50 LEU HDx% A 62 ASN HBy 1.0 1.8 5.5 222 219 A 63 GLU HA A 67 CYS H 1.0 1.8 5.5 223 220 A 63 GLU HA A 64 CYS H 1.0 1.8 5.5 224 221 A 65 HIS H A 63 GLU HA 1.0 1.8 5.5 225 222 A 64 CYS H A 63 GLU HBx 1.0 1.8 5.5 226 223 A 64 CYS H A 63 GLU HBy 1.0 1.8 5.5 227 224 A 63 GLU HBy A 66 LEU HBx 1.0 1.8 5.5 228 225 A 66 LEU HBx A 63 GLU HBx 1.0 1.8 5.5 229 226 A 30 VAL HGy% A 63 GLU HBy 1.0 1.8 5.5 230 227 A 52 VAL HGy% A 63 GLU HBy 1.0 1.8 5.5 231 228 A 52 VAL HGy% A 63 GLU HBx 1.0 1.8 5.5 232 229 A 50 LEU HDx% A 63 GLU HBy 1.0 1.8 5.5 233 230 A 65 HIS H A 64 CYS HA 1.0 1.8 5.5 234 231 A 67 CYS H A 64 CYS HA 1.0 1.8 5.5 235 232 A 35 TYR HE% A 64 CYS HA 1.0 1.8 5.5 236 233 A 64 CYS HA A 67 CYS HBy 1.0 1.8 5.5 237 234 A 45 CYS HBx A 64 CYS HBx 1.0 1.8 5.5 238 235 A 45 CYS HA A 64 CYS HBy 1.0 1.8 5.5 239 236 A 45 CYS HA A 64 CYS HBx 1.0 1.8 5.5 240 237 A 35 TYR HE% A 64 CYS HBy 1.0 1.8 5.5 241 238 A 35 TYR HE% A 64 CYS HBx 1.0 1.8 5.5 242 239 A 60 TYR HBx A 65 HIS HBy 1.0 1.8 5.5 243 240 A 60 TYR HBx A 65 HIS HBx 1.0 1.8 5.5 244 241 A 60 TYR HD% A 65 HIS HBy 1.0 1.8 4.5 245 242 A 60 TYR HD% A 65 HIS HBx 1.0 1.8 5.5 246 243 A 65 HIS HD2 A 65 HIS HBy 1.0 1.8 5.5 247 244 A 65 HIS HBx A 65 HIS HD2 1.0 1.8 5.5 248 245 A 66 LEU H A 65 HIS HBy 1.0 1.8 5.5 249 246 A 61 GLY H A 65 HIS HBy 1.0 1.8 5.5 250 247 A 67 CYS H A 66 LEU HA 1.0 1.8 5.5 251 248 A 60 TYR HD% A 66 LEU HA 1.0 1.8 5.5 252 249 A 69 GLU H A 66 LEU HA 1.0 1.8 5.5 253 250 A 66 LEU HA A 69 GLU HBy 1.0 1.8 5.5 254 251 A 69 GLU HGx A 66 LEU HA 1.0 1.8 5.5 255 252 A 65 HIS HBx A 66 LEU HA 1.0 1.8 5.5 256 253 A 66 LEU HDx% A 66 LEU HBy 1.0 1.8 5.5 257 254 A 66 LEU HDx% A 66 LEU HBx 1.0 1.8 5.5 258 255 A 60 TYR HBx A 66 LEU HBy 1.0 1.8 5.5 259 256 A 66 LEU HBy A 60 TYR HA 1.0 1.8 5.5 260 257 A 60 TYR HD% A 66 LEU HBy 1.0 1.8 5.5 261 258 A 60 TYR HD% A 66 LEU HBx 1.0 1.8 5.5 262 259 A 67 CYS H A 66 LEU HG 1.0 1.8 5.5 263 260 A 66 LEU H A 66 LEU HG 1.0 1.8 5.5 264 261 A 66 LEU HDx% A 66 LEU HBy 1.0 1.8 5.5 265 262 A 66 LEU HDx% A 54 GLY HAx 1.0 1.8 5.5 266 263 A 66 LEU HDx% A 66 LEU H 1.0 1.8 5.5 267 264 A 66 LEU HDx% A 80 LEU H 1.0 1.8 5.5 268 265 A 66 LEU HDx% A 55 SER H 1.0 1.8 5.5 269 266 A 55 SER H A 66 LEU HDy% 1.0 1.8 5.5 270 267 A 79 PHE H A 66 LEU HDy% 1.0 1.8 5.5 271 268 A 80 LEU H A 66 LEU HDy% 1.0 1.8 5.5 272 269 A 66 LEU H A 66 LEU HDy% 1.0 1.8 5.5 273 270 A 79 PHE HD% A 66 LEU HDy% 1.0 1.8 5.5 274 271 A 54 GLY HAy A 66 LEU HDy% 1.0 1.8 5.5 275 272 A 66 LEU HDy% A 67 CYS HA 1.0 1.8 5.5 276 273 A 66 LEU HDy% A 70 SER HBx 1.0 1.8 5.5 277 274 A 79 PHE HBy A 66 LEU HDy% 1.0 1.8 5.5 278 275 A 30 VAL HGy% A 67 CYS HBy 1.0 1.8 5.5 279 276 A 67 CYS HBy A 66 LEU HG 1.0 1.8 5.5 280 277 A 32 CYS HA A 67 CYS HBy 1.0 1.8 5.5 281 278 A 35 TYR HE% A 67 CYS HBy 1.0 1.8 5.5 282 279 A 35 TYR HD% A 67 CYS HBy 1.0 1.8 5.5 283 280 A 35 TYR HD% A 67 CYS HBx 1.0 1.8 5.5 284 281 A 71 LEU H A 68 THR HA 1.0 1.8 5.5 285 282 A 68 THR H A 68 THR HG2% 1.0 1.8 5.5 286 283 A 68 THR HG2% A 69 GLU H 1.0 1.8 5.5 287 284 A 68 THR HG2% A 43 ILE HD1% 1.0 1.8 5.5 288 285 A 68 THR HG2% A 69 GLU HA 1.0 1.8 5.5 289 286 A 70 SER H A 69 GLU HA 1.0 1.8 5.5 290 287 A 77 VAL HGy% A 69 GLU HBy 1.0 1.8 5.5 291 288 A 77 VAL HGy% A 69 GLU HGy 1.0 1.8 5.5 292 289 A 77 VAL HGx% A 69 GLU HGy 1.0 1.8 5.5 293 290 A 77 VAL HGx% A 69 GLU HGx 1.0 1.8 5.5 294 291 A 77 VAL HGy% A 69 GLU HGx 1.0 1.8 5.5 295 292 A 77 VAL HGy% A 70 SER HBx 1.0 1.8 5.5 296 293 A 71 LEU HBx A 70 SER HBy 1.0 1.8 5.5 297 294 A 77 VAL HB A 70 SER HBx 1.0 1.8 6.5 298 295 A 66 LEU HDx% A 70 SER HBx 1.0 1.8 5.5 299 296 A 70 SER HBx A 69 GLU H 1.0 1.8 5.5 300 297 A 72 LYS H A 70 SER HBy 1.0 1.8 5.5 301 298 A 68 THR H A 70 SER HBx 1.0 1.8 5.5 302 299 A 40 VAL HGx% A 71 LEU HBx 1.0 1.8 5.5 303 300 A 40 VAL HGx% A 71 LEU HBy 1.0 1.8 5.5 304 301 A 68 THR HA A 71 LEU HBy 1.0 1.8 5.5 305 302 A 71 LEU HBx A 68 THR HA 1.0 1.8 5.5 306 303 A 72 LYS H A 71 LEU HBx 1.0 1.8 5.5 307 304 A 71 LEU HDx% A 35 TYR HBx 1.0 1.8 5.5 308 305 A 71 LEU HDx% A 68 THR HA 1.0 1.8 5.5 309 306 A 71 LEU HDx% A 71 LEU H 1.0 1.8 5.5 310 307 A 71 LEU H A 71 LEU HDy% 1.0 1.8 5.5 311 308 A 80 LEU HDy% A 81 HIS HD2 1.0 1.8 5.5 312 309 A 33 SER HA A 71 LEU HDy% 1.0 1.8 5.5 313 310 A 32 CYS HBy A 71 LEU HDy% 1.0 1.8 5.5 314 311 A 80 LEU HDy% A 55 SER HBx 1.0 1.8 5.5 315 312 A 80 LEU HDy% A 57 TYR HBy 1.0 1.8 5.5 316 313 A 32 CYS HBx A 71 LEU HDy% 1.0 1.8 5.5 317 314 A 40 VAL HGx% A 72 LYS HA 1.0 1.8 5.5 318 315 A 72 LYS HB3 A 72 LYS HE2 1.0 1.8 5.5 319 315 A 72 LYS HB2 A 72 LYS HE2 1.0 1.8 5.5 320 315 A 72 LYS HE3 A 72 LYS HB2 1.0 1.8 5.5 321 315 A 72 LYS HB3 A 72 LYS HE3 1.0 1.8 5.5 322 316 A 40 VAL HGy% A 72 LYS HB2 1.0 1.8 5.5 323 316 A 72 LYS HB3 A 40 VAL HGy% 1.0 1.8 5.5 324 317 A 72 LYS HGy A 72 LYS HE2 1.0 1.8 5.5 325 317 A 72 LYS HGy A 72 LYS HE3 1.0 1.8 5.5 326 318 A 72 LYS HGy A 72 LYS HA 1.0 1.8 4.5 327 319 A 73 SER H A 72 LYS HGy 1.0 1.8 5.5 328 320 A 72 LYS HA A 72 LYS HD2 1.0 1.8 5.5 329 320 A 72 LYS HA A 72 LYS HD3 1.0 1.8 5.5 330 321 A 72 LYS HB3 A 72 LYS HE2 1.0 1.8 5.5 331 321 A 72 LYS HB2 A 72 LYS HE2 1.0 1.8 5.5 332 321 A 72 LYS HE3 A 72 LYS HB2 1.0 1.8 5.5 333 321 A 72 LYS HB3 A 72 LYS HE3 1.0 1.8 5.5 334 322 A 74 ASN HBx A 74 ASN HD2y 1.0 1.8 5.5 335 323 A 74 ASN HBy A 74 ASN HD2x 1.0 1.8 5.5 336 324 A 74 ASN H A 74 ASN HBy 1.0 1.8 5.5 337 325 A 76 ARG HDx A 76 ARG HA 1.0 1.8 5.5 338 326 A 76 ARG H A 76 ARG HGx 1.0 1.8 5.5 339 327 A 54 GLY HAx A 77 VAL HA 1.0 1.8 5.5 340 328 A 55 SER HBy A 77 VAL HA 1.0 1.8 5.5 341 329 A 77 VAL HB A 56 ASP HBy 1.0 1.8 5.5 342 330 A 78 GLN H A 77 VAL HGx% 1.0 1.8 5.5 343 331 A 77 VAL HGx% A 73 SER HBy 1.0 1.8 5.5 344 332 A 77 VAL HGx% A 56 ASP HBx 1.0 1.8 5.5 345 333 A 77 VAL HGy% A 69 GLU HBx 1.0 1.8 5.5 346 334 A 77 VAL HGy% A 69 GLU HGx 1.0 1.8 5.5 347 335 A 77 VAL HGy% A 54 GLY HAy 1.0 1.8 5.5 348 336 A 60 TYR HD% A 77 VAL HGy% 1.0 1.8 5.5 349 337 A 77 VAL HGy% A 77 VAL H 1.0 1.8 5.5 350 338 A 78 GLN H A 77 VAL HGy% 1.0 1.8 5.5 351 339 A 54 GLY H A 77 VAL HGy% 1.0 1.8 5.5 352 340 A 77 VAL HGy% A 55 SER H 1.0 1.8 5.5 353 341 A 78 GLN HE22 A 78 GLN HBy 1.0 1.8 5.5 354 342 A 78 GLN HBx A 78 GLN HE22 1.0 1.8 5.5 355 343 A 79 PHE HA A 66 LEU HBx 1.0 1.8 6.5 356 344 A 30 VAL HGx% A 79 PHE HBx 1.0 1.8 5.5 357 345 A 30 VAL HGx% A 79 PHE HBy 1.0 1.8 5.5 358 346 A 79 PHE HBy A 66 LEU HDy% 1.0 1.8 5.5 359 347 A 79 PHE HBx A 79 PHE HE% 1.0 1.8 5.5 360 348 A 80 LEU HDy% A 80 LEU HBy 1.0 1.8 5.5 361 349 A 80 LEU HBx A 55 SER HBy 1.0 1.8 5.5 362 350 A 79 PHE HA A 80 LEU HBx 1.0 1.8 5.5 363 351 A 79 PHE HA A 80 LEU HBy 1.0 1.8 5.5 364 352 A 80 LEU HBy A 54 GLY HAx 1.0 1.8 5.5 365 353 A 80 LEU HBy A 81 HIS HD2 1.0 1.8 5.5 366 354 A 55 SER H A 80 LEU HBx 1.0 1.8 5.5 367 355 A 55 SER H A 80 LEU HBy 1.0 1.8 5.5 368 356 A 80 LEU HDx% A 55 SER HA 1.0 1.8 5.5 369 357 A 80 LEU HDx% A 55 SER HBy 1.0 1.8 5.5 370 358 A 80 LEU HDx% A 57 TYR HA 1.0 1.8 5.5 371 359 A 55 SER HBx A 80 LEU HDx% 1.0 1.8 5.5 372 360 A 80 LEU HDx% A 80 LEU HA 1.0 1.8 5.5 373 361 A 80 LEU HDx% A 57 TYR HE% 1.0 1.8 5.5 374 362 A 80 LEU H A 80 LEU HDx% 1.0 1.8 5.5 375 363 A 80 LEU H A 80 LEU HDy% 1.0 1.8 5.5 376 364 A 80 LEU HDy% A 81 HIS H 1.0 1.8 5.5 377 365 A 81 HIS HBx A 80 LEU HG 1.0 1.8 5.5 378 366 A 81 HIS HBy A 80 LEU HG 1.0 1.8 5.5 379 367 A 81 HIS HBy A 81 HIS H 1.0 1.8 5.5 380 368 A 79 PHE HE% A 82 ASP HBx 1.0 1.8 5.5 381 369 A 52 VAL HA A 83 GLY HAy 1.0 1.8 5.5 382 370 A 83 GLY HAx A 82 ASP HA 1.0 1.8 5.5 383 371 A 51 PRO HBy A 84 SER HA 1.0 1.8 5.5 384 372 A 59 THR HG2% A 84 SER HBy 1.0 1.8 5.5 385 373 A 22 ALA H A 22 ALA HB% 1.0 1.8 5.5 386 374 A 25 LEU HA A 25 LEU HDy% 1.0 1.8 5.5 387 375 A 26 SER H A 27 PRO HDy 1.0 1.8 5.5 388 376 A 79 PHE HD% A 29 LYS HA 1.0 1.8 5.5 389 377 A 71 LEU HDx% A 36 LYS HE2 1.0 1.8 5.5 390 377 A 71 LEU HDx% A 36 LYS HE3 1.0 1.8 5.5 391 378 A 36 LYS HBy A 36 LYS HE2 1.0 1.8 5.5 392 378 A 36 LYS HBy A 36 LYS HE3 1.0 1.8 5.5 393 379 A 30 VAL HGy% A 66 LEU HG 1.0 1.8 5.5 394 380 A 30 VAL HGy% A 79 PHE HBy 1.0 1.8 5.5 395 381 A 30 VAL HGx% A 79 PHE HBy 1.0 1.8 5.5 396 382 A 30 VAL HGx% A 29 LYS HA 1.0 1.8 5.5 397 383 A 30 VAL HGx% A 79 PHE H 1.0 1.8 5.5 398 384 A 32 CYS HBx A 35 TYR HD% 1.0 1.8 5.5 399 385 A 32 CYS HBy A 70 SER HBx 1.0 1.8 6.5 400 386 A 32 CYS HBy A 67 CYS HA 1.0 1.8 5.5 401 387 A 32 CYS HBx A 67 CYS HA 1.0 1.8 5.5 402 388 A 32 CYS HBy A 70 SER HBy 1.0 1.8 5.5 403 389 A 32 CYS HBy A 71 LEU HG 1.0 1.8 5.5 404 390 A 35 TYR HE% A 34 ILE HG2% 1.0 1.8 5.5 405 391 A 31 ASP HBy A 34 ILE HG2% 1.0 1.8 6.5 406 392 A 35 TYR HA A 38 TYR HD% 1.0 1.8 5.5 407 393 A 35 TYR HD% A 35 TYR HA 1.0 1.8 5.5 408 394 A 35 TYR HE% A 35 TYR HBy 1.0 1.8 5.5 409 395 A 35 TYR HE% A 35 TYR HBx 1.0 1.8 5.5 410 396 A 35 TYR HBy A 38 TYR HD% 1.0 1.8 5.5 411 397 A 37 LYS HGx A 37 LYS HA 1.0 1.8 5.5 412 398 A 37 LYS HD3 A 37 LYS HE2 1.0 1.8 5.5 413 398 A 37 LYS HD2 A 37 LYS HE2 1.0 1.8 5.5 414 398 A 37 LYS HE3 A 37 LYS HD2 1.0 1.8 5.5 415 398 A 37 LYS HE3 A 37 LYS HD3 1.0 1.8 5.5 416 399 A 38 TYR HBy A 43 ILE HG2% 1.0 1.8 5.5 417 400 A 48 THR HG2% A 49 TYR HBy 1.0 1.8 5.5 418 401 A 39 PRO HBx A 42 ALA HB% 1.0 1.8 5.5 419 402 A 39 PRO HBy A 41 VAL HGy% 1.0 1.8 5.5 420 403 A 39 PRO HDy A 39 PRO HBy 1.0 1.8 5.5 421 404 A 40 VAL H A 39 PRO HBx 1.0 1.8 5.5 422 405 A 39 PRO HDx A 42 ALA HB% 1.0 1.8 5.5 423 406 A 39 PRO HDy A 42 ALA HB% 1.0 1.8 5.5 424 407 A 39 PRO HDy A 38 TYR HBy 1.0 1.8 5.5 425 408 A 39 PRO HDx A 38 TYR HD% 1.0 1.8 5.5 426 409 A 39 PRO HDy A 38 TYR HD% 1.0 1.8 5.5 427 410 A 40 VAL HGx% A 68 THR HA 1.0 1.8 5.5 428 411 A 40 VAL HGx% A 72 LYS HGy 1.0 1.8 6.5 429 412 A 71 LEU HBx A 40 VAL HGy% 1.0 1.8 5.5 430 413 A 39 PRO HDx A 42 ALA HB% 1.0 1.8 5.5 431 414 A 39 PRO HDy A 42 ALA HB% 1.0 1.8 5.5 432 415 A 39 PRO HGy A 42 ALA HB% 1.0 1.8 5.5 433 416 A 38 TYR HBy A 43 ILE HG2% 1.0 1.8 5.5 434 417 A 35 TYR HBy A 43 ILE HD1% 1.0 1.8 5.5 435 418 A 44 PRO HDx A 44 PRO HA 1.0 1.8 5.5 436 419 A 53 CYS HA A 59 THR HA 1.0 1.8 5.5 437 420 A 59 THR HG2% A 59 THR HA 1.0 1.8 5.5 438 421 A 46 PRO HBy A 46 PRO HDx 1.0 1.8 5.5 439 422 A 47 ILE HG2% A 46 PRO HA 1.0 1.8 5.5 440 423 A 49 TYR HBy A 48 THR HA 1.0 1.8 5.5 441 424 A 48 THR H A 48 THR HG2% 1.0 1.8 5.5 442 425 A 48 THR HG2% A 50 LEU HBy 1.0 1.8 5.5 443 426 A 51 PRO HA A 59 THR HG2% 1.0 1.8 5.5 444 427 A 52 VAL HGy% A 51 PRO HA 1.0 1.8 5.5 445 428 A 83 GLY H A 52 VAL HA 1.0 1.8 5.5 446 429 A 53 CYS H A 52 VAL HA 1.0 1.8 5.5 447 430 A 52 VAL HGx% A 52 VAL HA 1.0 1.8 5.5 448 431 A 52 VAL HB A 52 VAL HA 1.0 1.8 5.5 449 432 A 52 VAL HGx% A 63 GLU HA 1.0 1.8 5.5 450 433 A 52 VAL HGy% A 61 GLY HAx 1.0 1.8 5.5 451 434 A 53 CYS HA A 53 CYS H 1.0 1.8 5.5 452 435 A 53 CYS HA A 59 THR HG2% 1.0 1.8 5.5 453 436 A 81 HIS HE1 A 53 CYS HBy 1.0 1.8 5.5 454 437 A 53 CYS HBy A 59 THR HA 1.0 1.8 5.5 455 438 A 53 CYS HBy A 85 CYS HBy 1.0 1.8 5.5 456 439 A 54 GLY H A 54 GLY HAy 1.0 1.8 5.5 457 440 A 80 LEU H A 54 GLY HAy 1.0 1.8 5.5 458 441 A 66 LEU HDx% A 54 GLY HAy 1.0 1.8 5.5 459 442 A 56 ASP HA A 58 ILE H 1.0 1.8 5.5 460 443 A 77 VAL HGy% A 56 ASP HBx 1.0 1.8 5.5 461 444 A 54 GLY H A 58 ILE HG2% 1.0 1.8 5.5 462 445 A 60 TYR H A 58 ILE HG2% 1.0 1.8 5.5 463 446 A 56 ASP HA A 58 ILE HD1% 1.0 1.8 5.5 464 447 A 56 ASP HBy A 58 ILE HD1% 1.0 1.8 5.5 465 448 A 56 ASP HBx A 58 ILE HD1% 1.0 1.8 5.5 466 449 A 50 LEU HDx% A 52 VAL HGx% 1.0 1.8 5.5 467 450 A 60 TYR HBx A 65 HIS HBy 1.0 1.8 5.5 468 451 A 30 VAL HGy% A 63 GLU HGy 1.0 1.8 5.5 469 452 A 30 VAL HGy% A 63 GLU HGx 1.0 1.8 5.5 470 453 A 63 GLU H A 63 GLU HGy 1.0 1.8 5.5 471 454 A 63 GLU H A 63 GLU HGx 1.0 1.8 5.5 472 455 A 63 GLU HGy A 64 CYS HA 1.0 1.8 6.5 473 456 A 64 CYS HA A 63 GLU HBx 1.0 1.8 5.5 474 457 A 43 ILE HG2% A 64 CYS HA 1.0 1.8 5.5 475 458 A 66 LEU H A 65 HIS HA 1.0 1.8 5.5 476 459 A 68 THR HG2% A 65 HIS HA 1.0 1.8 5.5 477 460 A 52 VAL HGy% A 65 HIS HBy 1.0 1.8 6.5 478 461 A 66 LEU HBx A 65 HIS HBy 1.0 1.8 6.5 479 462 A 52 VAL HB A 66 LEU HDy% 1.0 1.8 5.5 480 463 A 52 VAL HB A 66 LEU HDx% 1.0 1.8 5.5 481 464 A 60 TYR HBx A 66 LEU HDx% 1.0 1.8 5.5 482 465 A 79 PHE HBy A 66 LEU HDx% 1.0 1.8 5.5 483 466 A 30 VAL HB A 66 LEU HDy% 1.0 1.8 5.5 484 467 A 79 PHE HE% A 66 LEU HDy% 1.0 1.8 5.5 485 468 A 53 CYS H A 66 LEU HDy% 1.0 1.8 5.5 486 469 A 53 CYS H A 66 LEU HDx% 1.0 1.8 5.5 487 470 A 71 LEU HDx% A 67 CYS HBy 1.0 1.8 5.5 488 471 A 71 LEU HDx% A 67 CYS HBx 1.0 1.8 5.5 489 472 A 68 THR H A 67 CYS HBy 1.0 1.8 5.5 490 473 A 69 GLU H A 68 THR HA 1.0 1.8 5.5 491 474 A 71 LEU HBx A 68 THR HA 1.0 1.8 5.5 492 475 A 77 VAL HGx% A 69 GLU HBy 1.0 1.8 5.5 493 476 A 69 GLU H A 69 GLU HGx 1.0 1.8 5.5 494 477 A 71 LEU HDx% A 70 SER HBy 1.0 1.8 5.5 495 478 A 71 LEU HDx% A 40 VAL HA 1.0 1.8 5.5 496 479 A 72 LYS HA A 72 LYS HE2 1.0 1.8 5.5 497 479 A 72 LYS HA A 72 LYS HE3 1.0 1.8 5.5 498 480 A 76 ARG HBy A 73 SER HA 1.0 1.8 5.5 499 481 A 76 ARG HBx A 73 SER HA 1.0 1.8 5.5 500 482 A 77 VAL HGx% A 73 SER HBy 1.0 1.8 5.5 501 483 A 40 VAL HA A 43 ILE HB 1.0 1.8 6.5 502 484 A 76 ARG H A 73 SER HBx 1.0 1.8 5.5 503 485 A 77 VAL H A 73 SER HBy 1.0 1.8 5.5 504 486 A 74 ASN H A 75 GLY HAx 1.0 1.8 5.5 505 487 A 75 GLY HAx A 78 GLN HE22 1.0 1.8 5.5 506 488 A 78 GLN HA A 75 GLY HAx 1.0 1.8 5.5 507 489 A 77 VAL HGy% A 56 ASP HBx 1.0 1.8 5.5 508 490 A 77 VAL HGy% A 69 GLU HBy 1.0 1.8 5.5 509 491 A 79 PHE HBy A 78 GLN HA 1.0 1.8 5.5 510 492 A 78 GLN HE21 A 78 GLN HBy 1.0 1.8 5.5 511 493 A 79 PHE H A 78 GLN HBy 1.0 1.8 5.5 512 494 A 79 PHE H A 78 GLN HG2 1.0 1.8 5.5 513 494 A 79 PHE H A 78 GLN HG3 1.0 1.8 5.5 514 495 A 81 HIS HA A 80 LEU HDy% 1.0 1.8 5.5 515 496 A 51 PRO HBy A 84 SER HBy 1.0 1.8 5.5 516 497 A 51 PRO HBy A 84 SER HBx 1.0 1.8 5.5 517 498 A 35 TYR HD% A 34 ILE HD1% 1.0 1.8 5.5 518 499 A 35 TYR H A 34 ILE HD1% 1.0 1.8 5.5 519 500 A 38 TYR HBy A 43 ILE HD1% 1.0 1.8 5.5 520 501 A 39 PRO HDy A 38 TYR HBx 1.0 1.8 5.5 521 502 A 48 THR HB A 50 LEU HDy% 1.0 1.8 5.5 522 503 A 39 PRO HBx A 42 ALA H 1.0 1.8 5.5 523 504 A 32 CYS HBx A 71 LEU HG 1.0 1.8 5.5 524 505 A 30 VAL HGx% A 66 LEU HDy% 1.0 1.8 5.5 525 506 A 57 TYR HD% A 85 CYS HBx 1.0 1.8 5.5 526 507 A 83 GLY HAx A 52 VAL HA 1.0 1.8 5.5 527 508 A 22 ALA HB% A 22 ALA HA 1.0 1.8 2.8 528 509 A 25 LEU HA A 25 LEU HB2 1.0 1.8 3.5 529 509 A 25 LEU HB3 A 25 LEU HA 1.0 1.8 3.5 530 510 A 27 PRO HBx A 27 PRO HA 1.0 1.8 3.5 531 511 A 27 PRO HBy A 27 PRO HA 1.0 1.8 2.8 532 512 A 27 PRO HBy A 27 PRO HA 1.0 1.8 3.5 533 513 A 27 PRO HBx A 27 PRO HG2 1.0 1.8 3.5 534 513 A 27 PRO HBx A 27 PRO HG3 1.0 1.8 3.5 535 514 A 27 PRO HDx A 27 PRO HG2 1.0 1.8 3.5 536 514 A 27 PRO HDx A 27 PRO HG3 1.0 1.8 3.5 537 515 A 27 PRO HA A 27 PRO HG2 1.0 1.8 4.5 538 515 A 27 PRO HA A 27 PRO HG3 1.0 1.8 4.5 539 516 A 27 PRO HDy A 27 PRO HG2 1.0 1.8 3.5 540 516 A 27 PRO HDy A 27 PRO HG3 1.0 1.8 3.5 541 517 A 27 PRO HDy A 27 PRO HG2 1.0 1.8 2.8 542 517 A 27 PRO HDy A 27 PRO HG3 1.0 1.8 2.8 543 518 A 26 SER HA A 27 PRO HDy 1.0 1.8 2.8 544 519 A 28 LYS HGx A 28 LYS HA 1.0 1.8 4.5 545 520 A 28 LYS HGy A 28 LYS HA 1.0 1.8 4.5 546 521 A 28 LYS HA A 28 LYS HD2 1.0 1.8 4.5 547 521 A 28 LYS HD3 A 28 LYS HA 1.0 1.8 4.5 548 522 A 28 LYS HGx A 28 LYS HB2 1.0 1.8 3.5 549 522 A 28 LYS HGx A 28 LYS HB3 1.0 1.8 3.5 550 523 A 28 LYS HA A 28 LYS HB2 1.0 1.8 3.5 551 523 A 28 LYS HB3 A 28 LYS HA 1.0 1.8 3.5 552 524 A 28 LYS H A 28 LYS HB2 1.0 1.8 3.5 553 524 A 28 LYS H A 28 LYS HB3 1.0 1.8 3.5 554 525 A 29 LYS H A 28 LYS HB2 1.0 1.8 4.5 555 525 A 29 LYS H A 28 LYS HB3 1.0 1.8 4.5 556 526 A 28 LYS HGy A 28 LYS HA 1.0 1.8 4.5 557 527 A 28 LYS HGx A 28 LYS HD2 1.0 1.8 4.5 558 527 A 28 LYS HGx A 28 LYS HD3 1.0 1.8 4.5 559 528 A 28 LYS HGx A 28 LYS HB2 1.0 1.8 4.5 560 528 A 28 LYS HGx A 28 LYS HB3 1.0 1.8 4.5 561 529 A 28 LYS HGx A 28 LYS HD2 1.0 1.8 3.5 562 529 A 28 LYS HGx A 28 LYS HD3 1.0 1.8 3.5 563 530 A 28 LYS HEx A 28 LYS HD2 1.0 1.8 4.5 564 530 A 28 LYS HD3 A 28 LYS HEx 1.0 1.8 4.5 565 531 A 28 LYS HEy A 28 LYS HD2 1.0 1.8 4.5 566 531 A 28 LYS HD3 A 28 LYS HEy 1.0 1.8 4.5 567 532 A 28 LYS HEx A 28 LYS HD2 1.0 1.8 4.5 568 532 A 28 LYS HD3 A 28 LYS HEx 1.0 1.8 4.5 569 533 A 28 LYS HGx A 28 LYS HEx 1.0 1.8 4.5 570 534 A 85 CYS H A 85 CYS HA 1.0 1.8 4.5 571 535 A 53 CYS HBy A 85 CYS HA 1.0 1.8 3.5 572 536 A 85 CYS HBy A 85 CYS HA 1.0 1.8 2.8 573 537 A 29 LYS H A 29 LYS HBy 1.0 1.8 4.5 574 538 A 29 LYS H A 29 LYS HBx 1.0 1.8 4.5 575 539 A 29 LYS HA A 29 LYS HBx 1.0 1.8 3.5 576 540 A 29 LYS HA A 29 LYS HBy 1.0 1.8 3.5 577 541 A 30 VAL H A 30 VAL HA 1.0 1.8 4.5 578 542 A 30 VAL HB A 30 VAL HA 1.0 1.8 3.5 579 543 A 30 VAL HGy% A 30 VAL HA 1.0 1.8 4.5 580 544 A 30 VAL HGx% A 30 VAL HA 1.0 1.8 4.5 581 545 A 30 VAL H A 30 VAL HB 1.0 1.8 3.5 582 546 A 30 VAL HB A 30 VAL HA 1.0 1.8 3.5 583 547 A 30 VAL HGx% A 30 VAL HB 1.0 1.8 4.5 584 548 A 30 VAL HGy% A 30 VAL HB 1.0 1.8 4.5 585 549 A 30 VAL HGy% A 30 VAL HA 1.0 1.8 4.5 586 550 A 30 VAL HGx% A 30 VAL HA 1.0 1.8 4.5 587 551 A 30 VAL HGx% A 30 VAL HB 1.0 1.8 4.5 588 552 A 30 VAL HGy% A 30 VAL HB 1.0 1.8 4.5 589 553 A 30 VAL HGx% A 30 VAL HGy% 1.0 1.8 4.5 590 554 A 30 VAL HGx% A 30 VAL HGy% 1.0 1.8 4.5 591 555 A 31 ASP H A 31 ASP HBy 1.0 1.8 2.8 592 556 A 31 ASP H A 31 ASP HBx 1.0 1.8 4.5 593 557 A 60 TYR HBy A 60 TYR HD% 1.0 1.8 4.5 594 558 A 31 ASP HBy A 31 ASP HA 1.0 1.8 3.5 595 559 A 31 ASP HBx A 31 ASP HA 1.0 1.8 3.5 596 560 A 32 CYS H A 32 CYS HBy 1.0 1.8 4.5 597 561 A 32 CYS H A 32 CYS HBx 1.0 1.8 3.5 598 562 A 32 CYS HBy A 32 CYS HA 1.0 1.8 4.5 599 563 A 32 CYS HBx A 32 CYS HA 1.0 1.8 4.5 600 564 A 32 CYS HBx A 67 CYS HBy 1.0 1.8 3.5 601 565 A 70 SER HA A 70 SER H 1.0 1.8 4.5 602 566 A 33 SER H A 33 SER HA 1.0 1.8 3.5 603 567 A 70 SER HBx A 70 SER HA 1.0 1.8 3.5 604 568 A 77 VAL HB A 70 SER HA 1.0 1.8 5.5 605 569 A 35 TYR H A 34 ILE HA 1.0 1.8 4.5 606 570 A 34 ILE H A 34 ILE HA 1.0 1.8 3.5 607 571 A 34 ILE HA A 34 ILE HG2% 1.0 1.8 3.5 608 572 A 34 ILE HG1x A 34 ILE HA 1.0 1.8 4.5 609 573 A 34 ILE HG1x A 34 ILE HB 1.0 1.8 3.5 610 574 A 34 ILE HB A 34 ILE HG2% 1.0 1.8 2.8 611 575 A 34 ILE HB A 34 ILE HG1y 1.0 1.8 3.5 612 576 A 34 ILE HB A 34 ILE HA 1.0 1.8 2.8 613 577 A 34 ILE H A 34 ILE HB 1.0 1.8 4.5 614 578 A 34 ILE H A 34 ILE HG1y 1.0 1.8 4.5 615 579 A 34 ILE H A 34 ILE HG1x 1.0 1.8 4.5 616 580 A 34 ILE HG1x A 34 ILE HB 1.0 1.8 3.5 617 581 A 34 ILE HG1y A 34 ILE HG2% 1.0 1.8 3.5 618 582 A 34 ILE HB A 34 ILE HG2% 1.0 1.8 3.5 619 583 A 34 ILE HA A 34 ILE HG2% 1.0 1.8 4.5 620 584 A 34 ILE H A 34 ILE HG2% 1.0 1.8 4.5 621 585 A 34 ILE HB A 34 ILE HD1% 1.0 1.8 4.5 622 586 A 34 ILE HD1% A 34 ILE HG1y 1.0 1.8 2.8 623 587 A 34 ILE HG1x A 34 ILE HD1% 1.0 1.8 3.5 624 588 A 35 TYR H A 35 TYR HBy 1.0 1.8 4.5 625 589 A 35 TYR H A 35 TYR HBx 1.0 1.8 3.5 626 590 A 35 TYR HD% A 35 TYR HBx 1.0 1.8 4.5 627 591 A 35 TYR HD% A 35 TYR HBy 1.0 1.8 4.5 628 592 A 35 TYR HBy A 35 TYR HA 1.0 1.8 4.5 629 593 A 35 TYR HBx A 35 TYR HA 1.0 1.8 4.5 630 594 A 71 LEU HDx% A 35 TYR HBx 1.0 1.8 4.5 631 595 A 36 LYS HA A 36 LYS H 1.0 1.8 4.5 632 596 A 36 LYS HA A 37 LYS H 1.0 1.8 4.5 633 597 A 69 GLU HA A 72 LYS HB2 1.0 1.8 4.5 634 597 A 69 GLU HA A 72 LYS HB3 1.0 1.8 4.5 635 598 A 36 LYS HA A 36 LYS HGx 1.0 1.8 3.5 636 599 A 69 GLU HGy A 69 GLU HA 1.0 1.8 4.5 637 600 A 36 LYS HBy A 36 LYS H 1.0 1.8 4.5 638 601 A 36 LYS HBx A 36 LYS H 1.0 1.8 3.5 639 602 A 36 LYS HBx A 36 LYS HA 1.0 1.8 3.5 640 603 A 36 LYS HBy A 36 LYS HA 1.0 1.8 4.5 641 604 A 33 SER HA A 36 LYS HGy 1.0 1.8 4.5 642 605 A 36 LYS HA A 36 LYS HGy 1.0 1.8 4.5 643 606 A 33 SER HA A 36 LYS HGx 1.0 1.8 4.5 644 607 A 36 LYS HA A 36 LYS HGx 1.0 1.8 4.5 645 608 A 36 LYS HBy A 36 LYS HGx 1.0 1.8 3.5 646 609 A 36 LYS HGx A 36 LYS HD2 1.0 1.8 3.5 647 609 A 36 LYS HD3 A 36 LYS HGx 1.0 1.8 3.5 648 610 A 36 LYS HBy A 36 LYS HGy 1.0 1.8 3.5 649 611 A 36 LYS HGy A 36 LYS HD2 1.0 1.8 3.5 650 611 A 36 LYS HD3 A 36 LYS HGy 1.0 1.8 3.5 651 612 A 37 LYS HGy A 37 LYS HE2 1.0 1.8 4.5 652 612 A 37 LYS HGy A 37 LYS HE3 1.0 1.8 4.5 653 613 A 37 LYS HD3 A 37 LYS HE2 1.0 1.8 4.5 654 613 A 37 LYS HD2 A 37 LYS HE2 1.0 1.8 4.5 655 613 A 37 LYS HE3 A 37 LYS HD2 1.0 1.8 4.5 656 613 A 37 LYS HE3 A 37 LYS HD3 1.0 1.8 4.5 657 614 A 38 TYR HBx A 38 TYR HD% 1.0 1.8 4.5 658 615 A 38 TYR HBy A 38 TYR HD% 1.0 1.8 4.5 659 616 A 38 TYR HA A 38 TYR HBy 1.0 1.8 3.5 660 617 A 38 TYR HA A 38 TYR HBx 1.0 1.8 4.5 661 618 A 39 PRO HDx A 38 TYR HBy 1.0 1.8 4.5 662 619 A 85 CYS HBy A 57 TYR HA 1.0 1.8 3.5 663 620 A 43 ILE HG1y A 38 TYR HBy 1.0 1.8 4.5 664 621 A 40 VAL H A 40 VAL HA 1.0 1.8 3.5 665 622 A 41 VAL H A 40 VAL HA 1.0 1.8 4.5 666 623 A 40 VAL HA A 40 VAL HB 1.0 1.8 3.5 667 624 A 40 VAL HGx% A 40 VAL HA 1.0 1.8 4.5 668 625 A 40 VAL HA A 43 ILE HD1% 1.0 1.8 4.5 669 626 A 41 VAL H A 40 VAL HB 1.0 1.8 4.5 670 627 A 40 VAL H A 40 VAL HB 1.0 1.8 3.5 671 628 A 40 VAL HA A 40 VAL HB 1.0 1.8 3.5 672 629 A 40 VAL HB A 40 VAL HGy% 1.0 1.8 3.5 673 630 A 40 VAL H A 40 VAL HGx% 1.0 1.8 4.5 674 631 A 40 VAL HGx% A 40 VAL HA 1.0 1.8 4.5 675 632 A 40 VAL HGx% A 40 VAL HB 1.0 1.8 4.5 676 633 A 40 VAL HB A 40 VAL HGy% 1.0 1.8 4.5 677 634 A 41 VAL H A 41 VAL HGx% 1.0 1.8 4.5 678 635 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 3.5 679 636 A 41 VAL HGx% A 41 VAL HB 1.0 1.8 3.5 680 637 A 41 VAL HGy% A 41 VAL HB 1.0 1.8 3.5 681 638 A 41 VAL HGy% A 41 VAL HA 1.0 1.8 4.5 682 639 A 41 VAL H A 41 VAL HGy% 1.0 1.8 4.5 683 640 A 42 ALA H A 41 VAL HA 1.0 1.8 4.5 684 641 A 41 VAL H A 41 VAL HA 1.0 1.8 4.5 685 642 A 41 VAL HA A 41 VAL HB 1.0 1.8 2.8 686 643 A 41 VAL HA A 41 VAL HGx% 1.0 1.8 3.5 687 644 A 41 VAL HGx% A 41 VAL HB 1.0 1.8 3.5 688 645 A 41 VAL HGy% A 41 VAL HB 1.0 1.8 4.5 689 646 A 41 VAL HA A 41 VAL HB 1.0 1.8 2.8 690 647 A 41 VAL H A 41 VAL HB 1.0 1.8 4.5 691 648 A 42 ALA H A 42 ALA HB% 1.0 1.8 4.5 692 649 A 42 ALA HA A 42 ALA HB% 1.0 1.8 3.5 693 650 A 43 ILE HA A 44 PRO HDy 1.0 1.8 2.8 694 651 A 43 ILE HA A 44 PRO HDx 1.0 1.8 3.5 695 652 A 43 ILE HA A 43 ILE HG2% 1.0 1.8 4.5 696 653 A 43 ILE HA A 43 ILE HG1x 1.0 1.8 4.5 697 654 A 43 ILE HA A 43 ILE HB 1.0 1.8 4.5 698 655 A 43 ILE HG1y A 43 ILE HA 1.0 1.8 3.5 699 656 A 38 TYR HBy A 43 ILE HA 1.0 1.8 4.5 700 657 A 63 GLU HA A 66 LEU HBy 1.0 1.8 4.5 701 658 A 43 ILE H A 43 ILE HB 1.0 1.8 3.5 702 659 A 43 ILE HA A 43 ILE HB 1.0 1.8 4.5 703 660 A 43 ILE HG2% A 43 ILE HB 1.0 1.8 4.5 704 661 A 43 ILE HD1% A 43 ILE HB 1.0 1.8 4.5 705 662 A 43 ILE HG1y A 43 ILE HB 1.0 1.8 3.5 706 663 A 43 ILE HG1y A 43 ILE HD1% 1.0 1.8 3.5 707 664 A 43 ILE HG1x A 43 ILE HB 1.0 1.8 3.5 708 665 A 71 LEU HBx A 71 LEU HG 1.0 1.8 3.5 709 666 A 39 PRO HDx A 39 PRO HGx 1.0 1.8 3.5 710 667 A 43 ILE HA A 43 ILE HG1x 1.0 1.8 4.5 711 668 A 43 ILE HG1y A 43 ILE HA 1.0 1.8 4.5 712 669 A 43 ILE HG1y A 40 VAL HA 1.0 1.8 4.5 713 670 A 43 ILE H A 43 ILE HG1x 1.0 1.8 4.5 714 671 A 43 ILE HG1y A 43 ILE H 1.0 1.8 4.5 715 672 A 43 ILE HA A 43 ILE HG2% 1.0 1.8 4.5 716 673 A 43 ILE HG1y A 43 ILE HG2% 1.0 1.8 4.5 717 674 A 43 ILE HG2% A 43 ILE HB 1.0 1.8 4.5 718 675 A 43 ILE HG2% A 43 ILE HD1% 1.0 1.8 4.5 719 676 A 40 VAL HA A 43 ILE HD1% 1.0 1.8 4.5 720 677 A 43 ILE HG1y A 43 ILE HD1% 1.0 1.8 4.5 721 678 A 43 ILE HD1% A 43 ILE HB 1.0 1.8 4.5 722 679 A 68 THR HG2% A 43 ILE HD1% 1.0 1.8 4.5 723 680 A 44 PRO HA A 44 PRO HB2 1.0 1.8 2.8 724 680 A 44 PRO HB3 A 44 PRO HA 1.0 1.8 2.8 725 681 A 45 CYS H A 44 PRO HB2 1.0 1.8 4.5 726 681 A 45 CYS H A 44 PRO HB3 1.0 1.8 4.5 727 682 A 44 PRO HA A 44 PRO HB2 1.0 1.8 3.5 728 682 A 44 PRO HB3 A 44 PRO HA 1.0 1.8 3.5 729 683 A 71 LEU H A 71 LEU HG 1.0 1.8 3.5 730 684 A 44 PRO HA A 44 PRO HGy 1.0 1.8 4.5 731 685 A 44 PRO HA A 44 PRO HGx 1.0 1.8 4.5 732 686 A 44 PRO HDy A 44 PRO HGy 1.0 1.8 3.5 733 687 A 68 THR HA A 71 LEU HG 1.0 1.8 4.5 734 688 A 44 PRO HDx A 44 PRO HGy 1.0 1.8 4.5 735 689 A 44 PRO HDx A 44 PRO HGx 1.0 1.8 4.5 736 690 A 51 PRO HDy A 51 PRO HBy 1.0 1.8 4.5 737 691 A 44 PRO HDx A 44 PRO HGx 1.0 1.8 4.5 738 692 A 43 ILE HA A 44 PRO HDx 1.0 1.8 3.5 739 693 A 45 CYS H A 45 CYS HA 1.0 1.8 4.5 740 694 A 46 PRO HDy A 45 CYS HA 1.0 1.8 2.8 741 695 A 45 CYS HA A 46 PRO HDx 1.0 1.8 3.5 742 696 A 45 CYS HA A 45 CYS HBy 1.0 1.8 3.5 743 697 A 45 CYS HA A 45 CYS HBx 1.0 1.8 3.5 744 698 A 45 CYS HA A 45 CYS HBy 1.0 1.8 3.5 745 699 A 45 CYS HA A 45 CYS HBx 1.0 1.8 4.5 746 700 A 45 CYS H A 45 CYS HBy 1.0 1.8 4.5 747 701 A 45 CYS H A 45 CYS HBx 1.0 1.8 3.5 748 702 A 47 ILE H A 46 PRO HBx 1.0 1.8 4.5 749 703 A 47 ILE H A 46 PRO HBy 1.0 1.8 3.5 750 704 A 48 THR H A 46 PRO HBy 1.0 1.8 3.5 751 705 A 48 THR H A 46 PRO HBx 1.0 1.8 4.5 752 706 A 46 PRO HBx A 46 PRO HA 1.0 1.8 2.8 753 707 A 46 PRO HBy A 46 PRO HA 1.0 1.8 2.8 754 708 A 46 PRO HDy A 46 PRO HBx 1.0 1.8 4.5 755 709 A 46 PRO HBx A 46 PRO HDx 1.0 1.8 4.5 756 710 A 46 PRO HBx A 46 PRO HGy 1.0 1.8 3.5 757 711 A 46 PRO HGx A 46 PRO HBx 1.0 1.8 4.5 758 712 A 46 PRO HDx A 46 PRO HGy 1.0 1.8 4.5 759 713 A 46 PRO HGx A 46 PRO HDx 1.0 1.8 3.5 760 714 A 46 PRO HDy A 46 PRO HGy 1.0 1.8 3.5 761 715 A 46 PRO HDy A 46 PRO HGx 1.0 1.8 3.5 762 716 A 46 PRO HA A 46 PRO HGy 1.0 1.8 4.5 763 717 A 46 PRO HDy A 45 CYS HA 1.0 1.8 2.8 764 718 A 45 CYS HA A 46 PRO HDx 1.0 1.8 2.8 765 719 A 39 PRO HDy A 38 TYR HA 1.0 1.8 2.8 766 720 A 46 PRO HBx A 46 PRO HDx 1.0 1.8 3.5 767 721 A 46 PRO HDy A 46 PRO HBy 1.0 1.8 4.5 768 722 A 46 PRO HDx A 45 CYS HBx 1.0 1.8 5.5 769 723 A 47 ILE H A 47 ILE HA 1.0 1.8 4.5 770 724 A 48 THR H A 47 ILE HA 1.0 1.8 4.5 771 725 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 4.5 772 726 A 47 ILE HG2% A 47 ILE HA 1.0 1.8 3.5 773 727 A 47 ILE H A 47 ILE HB 1.0 1.8 4.5 774 728 A 47 ILE HA A 47 ILE HB 1.0 1.8 2.8 775 729 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 4.5 776 730 A 47 ILE HG2% A 47 ILE HB 1.0 1.8 3.5 777 731 A 47 ILE HD1% A 47 ILE HG1x 1.0 1.8 3.5 778 732 A 47 ILE HD1% A 47 ILE HG1y 1.0 1.8 3.5 779 733 A 47 ILE HG1y A 47 ILE HB 1.0 1.8 4.5 780 734 A 47 ILE HG1x A 47 ILE HB 1.0 1.8 4.5 781 735 A 47 ILE HG1y A 47 ILE HA 1.0 1.8 4.5 782 736 A 47 ILE H A 47 ILE HG1y 1.0 1.8 4.5 783 737 A 47 ILE H A 47 ILE HG1x 1.0 1.8 4.5 784 738 A 47 ILE H A 47 ILE HG2% 1.0 1.8 4.5 785 739 A 47 ILE HG2% A 47 ILE HA 1.0 1.8 4.5 786 740 A 47 ILE HG2% A 47 ILE HB 1.0 1.8 3.5 787 741 A 47 ILE HG2% A 47 ILE HG1x 1.0 1.8 2.8 788 742 A 47 ILE HD1% A 47 ILE HB 1.0 1.8 4.5 789 743 A 48 THR H A 48 THR HA 1.0 1.8 3.5 790 744 A 48 THR HG2% A 48 THR HA 1.0 1.8 4.5 791 745 A 48 THR HG2% A 48 THR HB 1.0 1.8 4.5 792 746 A 48 THR H A 48 THR HB 1.0 1.8 4.5 793 747 A 49 TYR H A 48 THR HB 1.0 1.8 4.5 794 748 A 49 TYR H A 49 TYR HBy 1.0 1.8 3.5 795 749 A 49 TYR H A 49 TYR HBx 1.0 1.8 3.5 796 750 A 50 LEU H A 49 TYR HBy 1.0 1.8 4.5 797 751 A 49 TYR HD% A 49 TYR HBy 1.0 1.8 3.5 798 752 A 49 TYR HD% A 49 TYR HBx 1.0 1.8 3.5 799 753 A 49 TYR HA A 49 TYR HBx 1.0 1.8 3.5 800 754 A 49 TYR HA A 49 TYR HBy 1.0 1.8 3.5 801 755 A 39 PRO HDy A 38 TYR HBy 1.0 1.8 5.5 802 756 A 49 TYR HBx A 48 THR HA 1.0 1.8 4.5 803 757 A 50 LEU H A 50 LEU HBy 1.0 1.8 4.5 804 758 A 50 LEU H A 50 LEU HBx 1.0 1.8 4.5 805 759 A 50 LEU HA A 50 LEU HBx 1.0 1.8 4.5 806 760 A 50 LEU HA A 50 LEU HBy 1.0 1.8 3.5 807 761 A 50 LEU HBx A 62 ASN HBy 1.0 1.8 4.5 808 762 A 50 LEU HDx% A 50 LEU HBx 1.0 1.8 4.5 809 763 A 50 LEU HDx% A 50 LEU HDy% 1.0 1.8 4.5 810 764 A 52 VAL H A 51 PRO HBx 1.0 1.8 4.5 811 765 A 51 PRO HA A 51 PRO HBy 1.0 1.8 3.5 812 766 A 51 PRO HA A 51 PRO HBx 1.0 1.8 2.8 813 767 A 83 GLY HAx A 51 PRO HBx 1.0 1.8 4.5 814 768 A 51 PRO HDy A 51 PRO HBy 1.0 1.8 4.5 815 769 A 59 THR HG2% A 51 PRO HBy 1.0 1.8 4.5 816 770 A 59 THR HG2% A 51 PRO HBx 1.0 1.8 4.5 817 771 A 51 PRO HDy A 51 PRO HGx 1.0 1.8 3.5 818 772 A 51 PRO HDy A 51 PRO HGy 1.0 1.8 4.5 819 773 A 51 PRO HA A 51 PRO HGy 1.0 1.8 4.5 820 774 A 50 LEU H A 51 PRO HDy 1.0 1.8 4.5 821 775 A 51 PRO HDy A 51 PRO HA 1.0 1.8 4.5 822 776 A 51 PRO HDx A 51 PRO HA 1.0 1.8 4.5 823 777 A 50 LEU HA A 51 PRO HDx 1.0 1.8 2.8 824 778 A 38 TYR HBy A 44 PRO HDy 1.0 1.8 4.5 825 779 A 51 PRO HDx A 51 PRO HBy 1.0 1.8 4.5 826 780 A 52 VAL HB A 53 CYS H 1.0 1.8 3.5 827 781 A 79 PHE HD% A 52 VAL HB 1.0 1.8 4.5 828 782 A 52 VAL HB A 79 PHE HE% 1.0 1.8 4.5 829 783 A 52 VAL HB A 82 ASP HA 1.0 1.8 4.5 830 784 A 52 VAL HB A 52 VAL HA 1.0 1.8 3.5 831 785 A 52 VAL HGx% A 52 VAL HB 1.0 1.8 4.5 832 786 A 52 VAL HGy% A 52 VAL HB 1.0 1.8 4.5 833 787 A 52 VAL HGx% A 52 VAL HB 1.0 1.8 4.5 834 788 A 52 VAL HGx% A 52 VAL HA 1.0 1.8 4.5 835 789 A 52 VAL HGx% A 82 ASP HA 1.0 1.8 4.5 836 790 A 52 VAL HGy% A 52 VAL H 1.0 1.8 4.5 837 791 A 52 VAL HGy% A 63 GLU HA 1.0 1.8 4.5 838 792 A 52 VAL HGy% A 60 TYR HBy 1.0 1.8 4.5 839 793 A 52 VAL HGy% A 52 VAL HB 1.0 1.8 3.5 840 794 A 52 VAL HGy% A 66 LEU HBy 1.0 1.8 4.5 841 795 A 52 VAL HGy% A 52 VAL HGx% 1.0 1.8 4.5 842 796 A 53 CYS H A 53 CYS HBx 1.0 1.8 3.5 843 797 A 53 CYS H A 53 CYS HBy 1.0 1.8 3.5 844 798 A 53 CYS HBx A 81 HIS H 1.0 1.8 4.5 845 799 A 53 CYS HBy A 81 HIS H 1.0 1.8 4.5 846 800 A 54 GLY H A 53 CYS HBx 1.0 1.8 4.5 847 801 A 53 CYS HA A 53 CYS HBx 1.0 1.8 4.5 848 802 A 53 CYS HA A 53 CYS HBy 1.0 1.8 3.5 849 803 A 53 CYS HBy A 85 CYS HA 1.0 1.8 4.5 850 804 A 55 SER H A 54 GLY HAx 1.0 1.8 3.5 851 805 A 54 GLY H A 54 GLY HAx 1.0 1.8 3.5 852 806 A 75 GLY H A 75 GLY HAy 1.0 1.8 4.5 853 807 A 76 ARG H A 75 GLY HAy 1.0 1.8 4.5 854 808 A 53 CYS HA A 54 GLY HAx 1.0 1.8 4.5 855 809 A 55 SER H A 55 SER HA 1.0 1.8 4.5 856 810 A 56 ASP H A 55 SER HA 1.0 1.8 4.5 857 811 A 57 TYR H A 55 SER HA 1.0 1.8 4.5 858 812 A 55 SER HBy A 55 SER HA 1.0 1.8 3.5 859 813 A 55 SER HBx A 55 SER HA 1.0 1.8 3.5 860 814 A 80 LEU HBx A 55 SER HA 1.0 1.8 3.5 861 815 A 80 LEU HDx% A 55 SER HA 1.0 1.8 4.5 862 816 A 80 LEU HDy% A 55 SER HA 1.0 1.8 4.5 863 817 A 55 SER HBy A 55 SER HA 1.0 1.8 2.8 864 818 A 55 SER HBx A 55 SER HA 1.0 1.8 3.5 865 819 A 55 SER H A 55 SER HBx 1.0 1.8 4.5 866 820 A 55 SER H A 55 SER HBy 1.0 1.8 4.5 867 821 A 56 ASP HA A 56 ASP H 1.0 1.8 4.5 868 822 A 56 ASP HA A 57 TYR H 1.0 1.8 4.5 869 823 A 58 ILE HG1x A 56 ASP HA 1.0 1.8 4.5 870 824 A 56 ASP HA A 56 ASP HBy 1.0 1.8 3.5 871 825 A 56 ASP H A 56 ASP HBy 1.0 1.8 4.5 872 826 A 56 ASP HBx A 56 ASP H 1.0 1.8 4.5 873 827 A 58 ILE H A 57 TYR HA 1.0 1.8 3.5 874 828 A 57 TYR HD% A 57 TYR HA 1.0 1.8 4.5 875 829 A 57 TYR HBy A 57 TYR HA 1.0 1.8 3.5 876 830 A 57 TYR HBx A 57 TYR HA 1.0 1.8 3.5 877 831 A 57 TYR H A 57 TYR HBy 1.0 1.8 4.5 878 832 A 57 TYR H A 57 TYR HBx 1.0 1.8 4.5 879 833 A 57 TYR HD% A 57 TYR HBx 1.0 1.8 4.5 880 834 A 57 TYR HBy A 57 TYR HD% 1.0 1.8 4.5 881 835 A 57 TYR HBx A 57 TYR HA 1.0 1.8 3.5 882 836 A 57 TYR HBy A 57 TYR HA 1.0 1.8 3.5 883 837 A 76 ARG H A 76 ARG HA 1.0 1.8 3.5 884 838 A 58 ILE HD1% A 58 ILE HA 1.0 1.8 4.5 885 839 A 58 ILE HG1x A 58 ILE HA 1.0 1.8 3.5 886 840 A 58 ILE HG1y A 58 ILE HA 1.0 1.8 4.5 887 841 A 76 ARG HGx A 76 ARG HA 1.0 1.8 4.5 888 842 A 76 ARG HBx A 76 ARG HA 1.0 1.8 2.8 889 843 A 76 ARG HBy A 76 ARG HA 1.0 1.8 3.5 890 844 A 58 ILE HG2% A 58 ILE HA 1.0 1.8 4.5 891 845 A 58 ILE HG2% A 58 ILE HB 1.0 1.8 4.5 892 846 A 58 ILE HG1x A 58 ILE HB 1.0 1.8 2.8 893 847 A 58 ILE HB A 58 ILE HG1y 1.0 1.8 3.5 894 848 A 58 ILE HB A 58 ILE HA 1.0 1.8 4.5 895 849 A 58 ILE HB A 58 ILE H 1.0 1.8 3.5 896 850 A 58 ILE H A 58 ILE HG1y 1.0 1.8 4.5 897 851 A 58 ILE HG1x A 58 ILE H 1.0 1.8 4.5 898 852 A 58 ILE HG1y A 58 ILE HA 1.0 1.8 4.5 899 853 A 58 ILE HG1x A 58 ILE HA 1.0 1.8 3.5 900 854 A 58 ILE HG2% A 58 ILE HG1y 1.0 1.8 4.5 901 855 A 58 ILE HG2% A 58 ILE HG1x 1.0 1.8 4.5 902 856 A 58 ILE HD1% A 58 ILE HG1y 1.0 1.8 3.5 903 857 A 58 ILE HG1x A 58 ILE HD1% 1.0 1.8 2.8 904 858 A 58 ILE HG1x A 58 ILE HB 1.0 1.8 3.5 905 859 A 58 ILE HB A 58 ILE HG1y 1.0 1.8 3.5 906 860 A 58 ILE HG2% A 58 ILE HD1% 1.0 1.8 4.5 907 861 A 58 ILE HG1x A 58 ILE HD1% 1.0 1.8 2.8 908 862 A 58 ILE HD1% A 58 ILE HG1y 1.0 1.8 3.5 909 863 A 58 ILE HB A 58 ILE HD1% 1.0 1.8 4.5 910 864 A 58 ILE HD1% A 58 ILE HA 1.0 1.8 4.5 911 865 A 58 ILE HG2% A 59 THR H 1.0 1.8 4.5 912 866 A 58 ILE HG2% A 58 ILE HA 1.0 1.8 4.5 913 867 A 58 ILE HG2% A 58 ILE HB 1.0 1.8 4.5 914 868 A 58 ILE HG2% A 58 ILE HG1y 1.0 1.8 4.5 915 869 A 58 ILE HG2% A 58 ILE HG1x 1.0 1.8 4.5 916 870 A 59 THR H A 59 THR HB 1.0 1.8 3.5 917 871 A 59 THR HG2% A 59 THR HB 1.0 1.8 4.5 918 872 A 59 THR HG2% A 59 THR HA 1.0 1.8 4.5 919 873 A 59 THR HG2% A 84 SER HA 1.0 1.8 4.5 920 874 A 59 THR HG2% A 59 THR HB 1.0 1.8 4.5 921 875 A 59 THR HG2% A 51 PRO HBx 1.0 1.8 4.5 922 876 A 61 GLY H A 60 TYR HA 1.0 1.8 2.8 923 877 A 24 SER HA A 24 SER HB2 1.0 1.8 2.8 924 877 A 24 SER HB3 A 24 SER HA 1.0 1.8 2.8 925 878 A 60 TYR HBy A 60 TYR HA 1.0 1.8 3.5 926 879 A 60 TYR HBx A 60 TYR HA 1.0 1.8 4.5 927 880 A 52 VAL HGy% A 60 TYR HBy 1.0 1.8 4.5 928 881 A 60 TYR HBx A 65 HIS HBx 1.0 1.8 4.5 929 882 A 60 TYR HBy A 60 TYR HA 1.0 1.8 3.5 930 883 A 60 TYR HBx A 60 TYR HA 1.0 1.8 3.5 931 884 A 60 TYR HBx A 60 TYR HD% 1.0 1.8 4.5 932 885 A 60 TYR HBy A 66 LEU H 1.0 1.8 4.5 933 886 A 82 ASP H A 82 ASP HBy 1.0 1.8 3.5 934 887 A 60 TYR HBy A 60 TYR H 1.0 1.8 4.5 935 888 A 60 TYR HBx A 60 TYR H 1.0 1.8 4.5 936 889 A 61 GLY HAy A 61 GLY H 1.0 1.8 3.5 937 890 A 61 GLY HAx A 61 GLY H 1.0 1.8 3.5 938 891 A 61 GLY HAy A 62 ASN H 1.0 1.8 4.5 939 892 A 61 GLY HAy A 65 HIS HD2 1.0 1.8 4.5 940 893 A 51 PRO HA A 61 GLY HAx 1.0 1.8 4.5 941 894 A 62 ASN HBx A 63 GLU H 1.0 1.8 3.5 942 895 A 63 GLU H A 62 ASN HBy 1.0 1.8 4.5 943 896 A 50 LEU H A 62 ASN HBy 1.0 1.8 4.5 944 897 A 62 ASN HBx A 50 LEU H 1.0 1.8 4.5 945 898 A 62 ASN HBx A 62 ASN HD2x 1.0 1.8 3.5 946 899 A 62 ASN HD2x A 62 ASN HBy 1.0 1.8 3.5 947 900 A 62 ASN HD2y A 62 ASN HBy 1.0 1.8 4.5 948 901 A 62 ASN HBx A 62 ASN HD2y 1.0 1.8 4.5 949 902 A 62 ASN HA A 62 ASN HBy 1.0 1.8 3.5 950 903 A 62 ASN HBx A 62 ASN HA 1.0 1.8 2.8 951 904 A 50 LEU HBx A 62 ASN HBy 1.0 1.8 4.5 952 905 A 52 VAL HGy% A 63 GLU HA 1.0 1.8 4.5 953 906 A 63 GLU HA A 66 LEU HBx 1.0 1.8 3.5 954 907 A 63 GLU HA A 66 LEU HBy 1.0 1.8 4.5 955 908 A 63 GLU HA A 63 GLU HBy 1.0 1.8 2.8 956 909 A 66 LEU H A 63 GLU HA 1.0 1.8 4.5 957 910 A 63 GLU H A 63 GLU HA 1.0 1.8 4.5 958 911 A 63 GLU H A 63 GLU HBy 1.0 1.8 4.5 959 912 A 63 GLU H A 63 GLU HBx 1.0 1.8 4.5 960 913 A 63 GLU HA A 63 GLU HBy 1.0 1.8 4.5 961 914 A 63 GLU HA A 63 GLU HBx 1.0 1.8 4.5 962 915 A 63 GLU HA A 63 GLU HGy 1.0 1.8 4.5 963 916 A 63 GLU HA A 63 GLU HGx 1.0 1.8 4.5 964 917 A 64 CYS H A 64 CYS HA 1.0 1.8 4.5 965 918 A 64 CYS HA A 64 CYS HBx 1.0 1.8 2.8 966 919 A 67 CYS HBx A 64 CYS HA 1.0 1.8 4.5 967 920 A 64 CYS HBy A 45 CYS HBy 1.0 1.8 4.5 968 921 A 45 CYS HBy A 64 CYS HBx 1.0 1.8 4.5 969 922 A 64 CYS HBy A 45 CYS HBx 1.0 1.8 4.5 970 923 A 64 CYS HA A 64 CYS HBx 1.0 1.8 3.5 971 924 A 46 PRO HDy A 64 CYS HBy 1.0 1.8 4.5 972 925 A 46 PRO HDy A 64 CYS HBx 1.0 1.8 4.5 973 926 A 65 HIS H A 64 CYS HBy 1.0 1.8 4.5 974 927 A 65 HIS H A 64 CYS HBx 1.0 1.8 4.5 975 928 A 64 CYS H A 64 CYS HBy 1.0 1.8 4.5 976 929 A 64 CYS H A 64 CYS HBx 1.0 1.8 4.5 977 930 A 65 HIS HBx A 65 HIS HA 1.0 1.8 3.5 978 931 A 65 HIS HBy A 65 HIS HA 1.0 1.8 3.5 979 932 A 60 TYR HBy A 65 HIS HBx 1.0 1.8 4.5 980 933 A 60 TYR HBy A 65 HIS HBy 1.0 1.8 4.5 981 934 A 65 HIS HBy A 65 HIS HA 1.0 1.8 3.5 982 935 A 62 ASN H A 65 HIS HBx 1.0 1.8 4.5 983 936 A 62 ASN H A 65 HIS HBy 1.0 1.8 4.5 984 937 A 65 HIS HBx A 66 LEU H 1.0 1.8 4.5 985 938 A 65 HIS HBx A 65 HIS H 1.0 1.8 4.5 986 939 A 65 HIS H A 65 HIS HBy 1.0 1.8 4.5 987 940 A 66 LEU H A 66 LEU HA 1.0 1.8 4.5 988 941 A 60 TYR HBx A 66 LEU HA 1.0 1.8 4.5 989 942 A 66 LEU HBy A 66 LEU HA 1.0 1.8 3.5 990 943 A 66 LEU HDx% A 66 LEU HA 1.0 1.8 4.5 991 944 A 52 VAL HGy% A 66 LEU HBy 1.0 1.8 4.5 992 945 A 63 GLU HA A 66 LEU HBy 1.0 1.8 4.5 993 946 A 63 GLU HA A 66 LEU HBx 1.0 1.8 4.5 994 947 A 66 LEU H A 66 LEU HBx 1.0 1.8 4.5 995 948 A 66 LEU H A 66 LEU HBy 1.0 1.8 3.5 996 949 A 66 LEU HBy A 67 CYS H 1.0 1.8 4.5 997 950 A 66 LEU HBx A 67 CYS H 1.0 1.8 4.5 998 951 A 66 LEU HG A 67 CYS HA 1.0 1.8 4.5 999 952 A 66 LEU HBy A 66 LEU HG 1.0 1.8 3.5 1000 953 A 66 LEU HDx% A 66 LEU HG 1.0 1.8 3.5 1001 954 A 66 LEU HDx% A 66 LEU HA 1.0 1.8 4.5 1002 955 A 66 LEU HDx% A 79 PHE HA 1.0 1.8 4.5 1003 956 A 66 LEU HDx% A 54 GLY HAy 1.0 1.8 4.5 1004 957 A 79 PHE HA A 66 LEU HDy% 1.0 1.8 4.5 1005 958 A 79 PHE HBx A 66 LEU HDy% 1.0 1.8 4.5 1006 959 A 66 LEU HBy A 66 LEU HDy% 1.0 1.8 4.5 1007 960 A 66 LEU HDy% A 66 LEU HG 1.0 1.8 3.5 1008 961 A 70 SER HBx A 67 CYS HA 1.0 1.8 3.5 1009 962 A 32 CYS HBx A 67 CYS HBy 1.0 1.8 3.5 1010 963 A 67 CYS HBy A 67 CYS HA 1.0 1.8 4.5 1011 964 A 67 CYS H A 67 CYS HBy 1.0 1.8 4.5 1012 965 A 67 CYS HBx A 67 CYS H 1.0 1.8 3.5 1013 966 A 67 CYS HBx A 67 CYS HA 1.0 1.8 3.5 1014 967 A 68 THR H A 68 THR HA 1.0 1.8 4.5 1015 968 A 68 THR HA A 68 THR HB 1.0 1.8 4.5 1016 969 A 68 THR HG2% A 68 THR HA 1.0 1.8 4.5 1017 970 A 43 ILE HD1% A 68 THR HA 1.0 1.8 4.5 1018 971 A 68 THR HG2% A 68 THR HB 1.0 1.8 4.5 1019 972 A 68 THR H A 68 THR HB 1.0 1.8 4.5 1020 973 A 68 THR HG2% A 68 THR HB 1.0 1.8 4.5 1021 974 A 68 THR HG2% A 68 THR HA 1.0 1.8 4.5 1022 975 A 69 GLU HBy A 69 GLU HA 1.0 1.8 3.5 1023 976 A 69 GLU HGx A 69 GLU HA 1.0 1.8 4.5 1024 977 A 69 GLU H A 69 GLU HA 1.0 1.8 3.5 1025 978 A 72 LYS H A 69 GLU HA 1.0 1.8 4.5 1026 979 A 70 SER H A 69 GLU HBx 1.0 1.8 4.5 1027 980 A 69 GLU H A 69 GLU HBy 1.0 1.8 4.5 1028 981 A 69 GLU H A 69 GLU HBx 1.0 1.8 4.5 1029 982 A 69 GLU HBy A 69 GLU HA 1.0 1.8 4.5 1030 983 A 69 GLU HBx A 69 GLU HA 1.0 1.8 3.5 1031 984 A 69 GLU HGy A 69 GLU HBy 1.0 1.8 3.5 1032 985 A 69 GLU HGy A 69 GLU HBx 1.0 1.8 3.5 1033 986 A 69 GLU HGx A 69 GLU HBx 1.0 1.8 3.5 1034 987 A 69 GLU HGy A 69 GLU HBx 1.0 1.8 3.5 1035 988 A 69 GLU HGx A 69 GLU HBx 1.0 1.8 3.5 1036 989 A 69 GLU HGy A 69 GLU HBy 1.0 1.8 3.5 1037 990 A 69 GLU HGy A 69 GLU HA 1.0 1.8 4.5 1038 991 A 69 GLU HGx A 69 GLU HA 1.0 1.8 4.5 1039 992 A 70 SER HA A 70 SER HBy 1.0 1.8 4.5 1040 993 A 70 SER HBx A 70 SER HA 1.0 1.8 2.8 1041 994 A 67 CYS HA A 70 SER HBy 1.0 1.8 3.5 1042 995 A 70 SER HBx A 67 CYS HA 1.0 1.8 3.5 1043 996 A 70 SER HBx A 71 LEU H 1.0 1.8 4.5 1044 997 A 71 LEU H A 70 SER HBy 1.0 1.8 4.5 1045 998 A 70 SER H A 70 SER HBy 1.0 1.8 3.5 1046 999 A 70 SER HBx A 70 SER H 1.0 1.8 3.5 1047 1000 A 71 LEU H A 71 LEU HA 1.0 1.8 3.5 1048 1001 A 71 LEU HBx A 71 LEU HA 1.0 1.8 4.5 1049 1002 A 71 LEU HDy% A 71 LEU HA 1.0 1.8 3.5 1050 1003 A 71 LEU HDx% A 71 LEU HBy 1.0 1.8 4.5 1051 1004 A 71 LEU HBx A 71 LEU HA 1.0 1.8 3.5 1052 1005 A 71 LEU HA A 71 LEU HBy 1.0 1.8 3.5 1053 1006 A 72 LYS H A 71 LEU HBy 1.0 1.8 4.5 1054 1007 A 71 LEU H A 71 LEU HBx 1.0 1.8 4.5 1055 1008 A 71 LEU H A 71 LEU HBy 1.0 1.8 4.5 1056 1009 A 71 LEU HDx% A 71 LEU HBx 1.0 1.8 3.5 1057 1010 A 80 LEU HDy% A 80 LEU HA 1.0 1.8 4.5 1058 1011 A 71 LEU HDy% A 71 LEU HA 1.0 1.8 3.5 1059 1012 A 80 LEU HDy% A 55 SER HA 1.0 1.8 4.5 1060 1013 A 71 LEU HDy% A 71 LEU HG 1.0 1.8 3.5 1061 1014 A 71 LEU HBx A 71 LEU HDy% 1.0 1.8 3.5 1062 1015 A 72 LYS H A 72 LYS HA 1.0 1.8 2.8 1063 1016 A 72 LYS HGx A 72 LYS HA 1.0 1.8 3.5 1064 1017 A 72 LYS H A 72 LYS HB2 1.0 1.8 3.5 1065 1017 A 72 LYS H A 72 LYS HB3 1.0 1.8 3.5 1066 1018 A 73 SER H A 72 LYS HB2 1.0 1.8 4.5 1067 1018 A 73 SER H A 72 LYS HB3 1.0 1.8 4.5 1068 1019 A 72 LYS HA A 72 LYS HB2 1.0 1.8 3.5 1069 1019 A 72 LYS HA A 72 LYS HB3 1.0 1.8 3.5 1070 1020 A 69 GLU HA A 72 LYS HB2 1.0 1.8 4.5 1071 1020 A 69 GLU HA A 72 LYS HB3 1.0 1.8 4.5 1072 1021 A 72 LYS HGx A 72 LYS HB2 1.0 1.8 2.8 1073 1021 A 72 LYS HGx A 72 LYS HB3 1.0 1.8 2.8 1074 1022 A 72 LYS HGx A 72 LYS HB2 1.0 1.8 4.5 1075 1022 A 72 LYS HGx A 72 LYS HB3 1.0 1.8 4.5 1076 1023 A 72 LYS HGy A 72 LYS HB2 1.0 1.8 3.5 1077 1023 A 72 LYS HGy A 72 LYS HB3 1.0 1.8 3.5 1078 1024 A 72 LYS HGx A 72 LYS HA 1.0 1.8 4.5 1079 1025 A 72 LYS H A 72 LYS HGy 1.0 1.8 4.5 1080 1026 A 72 LYS H A 72 LYS HD2 1.0 1.8 5.5 1081 1026 A 72 LYS H A 72 LYS HD3 1.0 1.8 5.5 1082 1027 A 72 LYS HD3 A 72 LYS HE2 1.0 1.8 4.5 1083 1027 A 72 LYS HD2 A 72 LYS HE2 1.0 1.8 4.5 1084 1027 A 72 LYS HE3 A 72 LYS HD2 1.0 1.8 4.5 1085 1027 A 72 LYS HD3 A 72 LYS HE3 1.0 1.8 4.5 1086 1028 A 72 LYS HB2 A 72 LYS HD2 1.0 1.8 4.5 1087 1028 A 72 LYS HB3 A 72 LYS HD2 1.0 1.8 4.5 1088 1028 A 72 LYS HD3 A 72 LYS HB2 1.0 1.8 4.5 1089 1028 A 72 LYS HB3 A 72 LYS HD3 1.0 1.8 4.5 1090 1029 A 72 LYS HGx A 72 LYS HE2 1.0 1.8 4.5 1091 1029 A 72 LYS HGx A 72 LYS HE3 1.0 1.8 4.5 1092 1030 A 73 SER HBy A 76 ARG HBy 1.0 1.8 4.5 1093 1031 A 73 SER HBy A 73 SER HA 1.0 1.8 2.8 1094 1032 A 73 SER HA A 73 SER HBx 1.0 1.8 3.5 1095 1033 A 73 SER H A 73 SER HBx 1.0 1.8 4.5 1096 1034 A 73 SER H A 73 SER HBy 1.0 1.8 4.5 1097 1035 A 74 ASN HA A 75 GLY H 1.0 1.8 3.5 1098 1036 A 74 ASN HA A 74 ASN HBy 1.0 1.8 3.5 1099 1037 A 74 ASN HA A 74 ASN HBx 1.0 1.8 3.5 1100 1038 A 74 ASN HA A 74 ASN HBy 1.0 1.8 3.5 1101 1039 A 74 ASN HA A 74 ASN HBx 1.0 1.8 3.5 1102 1040 A 74 ASN HBx A 74 ASN HD2x 1.0 1.8 4.5 1103 1041 A 74 ASN H A 74 ASN HBx 1.0 1.8 4.5 1104 1042 A 75 GLY H A 75 GLY HAx 1.0 1.8 2.8 1105 1043 A 75 GLY H A 75 GLY HAy 1.0 1.8 4.5 1106 1044 A 75 GLY HAx A 78 GLN HE21 1.0 1.8 4.5 1107 1045 A 78 GLN HE21 A 75 GLY HAy 1.0 1.8 4.5 1108 1046 A 76 ARG H A 75 GLY HAx 1.0 1.8 4.5 1109 1047 A 76 ARG HBy A 76 ARG HGx 1.0 1.8 3.5 1110 1048 A 76 ARG HBx A 76 ARG HDx 1.0 1.8 4.5 1111 1049 A 76 ARG HBx A 76 ARG HA 1.0 1.8 3.5 1112 1050 A 73 SER HBy A 76 ARG HBx 1.0 1.8 4.5 1113 1051 A 73 SER HBy A 76 ARG HBy 1.0 1.8 4.5 1114 1052 A 76 ARG H A 76 ARG HBy 1.0 1.8 3.5 1115 1053 A 76 ARG H A 76 ARG HBx 1.0 1.8 3.5 1116 1054 A 77 VAL H A 76 ARG HGx 1.0 1.8 4.5 1117 1055 A 76 ARG H A 76 ARG HGy 1.0 1.8 4.5 1118 1056 A 76 ARG HA A 76 ARG HGy 1.0 1.8 4.5 1119 1057 A 76 ARG HGx A 76 ARG HDy 1.0 1.8 3.5 1120 1058 A 76 ARG HGx A 76 ARG HDx 1.0 1.8 3.5 1121 1059 A 76 ARG HBy A 76 ARG HDy 1.0 1.8 4.5 1122 1060 A 76 ARG HBy A 76 ARG HDx 1.0 1.8 4.5 1123 1061 A 76 ARG HDx A 76 ARG HE 1.0 1.8 4.5 1124 1062 A 76 ARG HE A 76 ARG HDy 1.0 1.8 4.5 1125 1063 A 77 VAL H A 77 VAL HA 1.0 1.8 4.5 1126 1064 A 78 GLN H A 77 VAL HA 1.0 1.8 2.8 1127 1065 A 55 SER H A 77 VAL HA 1.0 1.8 4.5 1128 1066 A 77 VAL HB A 77 VAL HA 1.0 1.8 4.5 1129 1067 A 77 VAL HGx% A 77 VAL HA 1.0 1.8 4.5 1130 1068 A 77 VAL HGy% A 77 VAL HA 1.0 1.8 4.5 1131 1069 A 77 VAL HGy% A 77 VAL HB 1.0 1.8 4.5 1132 1070 A 77 VAL HGx% A 77 VAL HB 1.0 1.8 4.5 1133 1071 A 77 VAL HB A 77 VAL HA 1.0 1.8 4.5 1134 1072 A 77 VAL HB A 77 VAL H 1.0 1.8 4.5 1135 1073 A 77 VAL HGx% A 77 VAL H 1.0 1.8 4.5 1136 1074 A 77 VAL HGx% A 77 VAL HA 1.0 1.8 4.5 1137 1075 A 77 VAL HGx% A 69 GLU HGx 1.0 1.8 4.5 1138 1076 A 77 VAL HGx% A 77 VAL HB 1.0 1.8 3.5 1139 1077 A 77 VAL HGy% A 77 VAL HGx% 1.0 1.8 4.5 1140 1078 A 77 VAL HGy% A 77 VAL HGx% 1.0 1.8 4.5 1141 1079 A 77 VAL HGy% A 77 VAL HB 1.0 1.8 4.5 1142 1080 A 77 VAL HGy% A 77 VAL HA 1.0 1.8 4.5 1143 1081 A 77 VAL HGy% A 70 SER HA 1.0 1.8 4.5 1144 1082 A 78 GLN H A 78 GLN HA 1.0 1.8 4.5 1145 1083 A 78 GLN HBx A 78 GLN HE21 1.0 1.8 4.5 1146 1084 A 78 GLN HBx A 78 GLN HA 1.0 1.8 4.5 1147 1085 A 79 PHE H A 79 PHE HA 1.0 1.8 4.5 1148 1086 A 79 PHE HA A 80 LEU H 1.0 1.8 2.8 1149 1087 A 79 PHE HD% A 79 PHE HA 1.0 1.8 4.5 1150 1088 A 79 PHE HBx A 79 PHE HA 1.0 1.8 4.5 1151 1089 A 79 PHE HBy A 79 PHE HA 1.0 1.8 4.5 1152 1090 A 66 LEU HDx% A 79 PHE HA 1.0 1.8 4.5 1153 1091 A 79 PHE HA A 66 LEU HDy% 1.0 1.8 4.5 1154 1092 A 79 PHE HBx A 66 LEU HDy% 1.0 1.8 4.5 1155 1093 A 79 PHE HBx A 30 VAL HB 1.0 1.8 4.5 1156 1094 A 79 PHE HBx A 79 PHE HA 1.0 1.8 4.5 1157 1095 A 79 PHE HBy A 79 PHE HA 1.0 1.8 4.5 1158 1096 A 79 PHE HBy A 79 PHE HD% 1.0 1.8 3.5 1159 1097 A 79 PHE HBx A 79 PHE HD% 1.0 1.8 4.5 1160 1098 A 79 PHE HBy A 79 PHE HE% 1.0 1.8 4.5 1161 1099 A 79 PHE HBy A 80 LEU H 1.0 1.8 4.5 1162 1100 A 79 PHE HBy A 79 PHE H 1.0 1.8 3.5 1163 1101 A 79 PHE HBx A 79 PHE H 1.0 1.8 3.5 1164 1102 A 80 LEU HDy% A 80 LEU HA 1.0 1.8 4.5 1165 1103 A 80 LEU HDx% A 80 LEU HBy 1.0 1.8 4.5 1166 1104 A 80 LEU HDy% A 80 LEU HBx 1.0 1.8 4.5 1167 1105 A 80 LEU HBx A 80 LEU HDx% 1.0 1.8 4.5 1168 1106 A 80 LEU HBy A 55 SER HA 1.0 1.8 4.5 1169 1107 A 80 LEU HBx A 55 SER HA 1.0 1.8 4.5 1170 1108 A 80 LEU HBy A 80 LEU HA 1.0 1.8 3.5 1171 1109 A 80 LEU HBx A 80 LEU HA 1.0 1.8 3.5 1172 1110 A 81 HIS H A 80 LEU HBy 1.0 1.8 4.5 1173 1111 A 80 LEU H A 80 LEU HBy 1.0 1.8 4.5 1174 1112 A 80 LEU H A 80 LEU HBx 1.0 1.8 4.5 1175 1113 A 81 HIS H A 80 LEU HBx 1.0 1.8 4.5 1176 1114 A 81 HIS HD2 A 80 LEU HG 1.0 1.8 4.5 1177 1115 A 80 LEU HG A 80 LEU HA 1.0 1.8 4.5 1178 1116 A 80 LEU HBx A 80 LEU HG 1.0 1.8 4.5 1179 1117 A 80 LEU HDx% A 80 LEU HG 1.0 1.8 4.5 1180 1118 A 80 LEU HDy% A 80 LEU HG 1.0 1.8 3.5 1181 1119 A 80 LEU HDy% A 80 LEU HDx% 1.0 1.8 4.5 1182 1120 A 80 LEU HDx% A 80 LEU HG 1.0 1.8 3.5 1183 1121 A 80 LEU HDx% A 81 HIS HD2 1.0 1.8 4.5 1184 1122 A 80 LEU HDy% A 80 LEU HG 1.0 1.8 2.8 1185 1123 A 80 LEU HDy% A 80 LEU HDx% 1.0 1.8 4.5 1186 1124 A 81 HIS HA A 82 ASP H 1.0 1.8 2.8 1187 1125 A 81 HIS HA A 81 HIS H 1.0 1.8 4.5 1188 1126 A 81 HIS HA A 79 PHE HE% 1.0 1.8 4.5 1189 1127 A 81 HIS HBy A 81 HIS HA 1.0 1.8 2.8 1190 1128 A 81 HIS HA A 81 HIS HBx 1.0 1.8 2.8 1191 1129 A 81 HIS HBx A 81 HIS HD2 1.0 1.8 4.5 1192 1130 A 81 HIS HBy A 81 HIS HD2 1.0 1.8 4.5 1193 1131 A 81 HIS HBy A 82 ASP H 1.0 1.8 4.5 1194 1132 A 82 ASP H A 81 HIS HBx 1.0 1.8 3.5 1195 1133 A 83 GLY H A 82 ASP HBx 1.0 1.8 4.5 1196 1134 A 83 GLY H A 82 ASP HBy 1.0 1.8 4.5 1197 1135 A 82 ASP H A 82 ASP HBx 1.0 1.8 4.5 1198 1136 A 82 ASP HA A 82 ASP HBx 1.0 1.8 3.5 1199 1137 A 82 ASP HA A 82 ASP HBy 1.0 1.8 3.5 1200 1138 A 84 SER H A 83 GLY HAy 1.0 1.8 2.8 1201 1139 A 83 GLY H A 83 GLY HAy 1.0 1.8 3.5 1202 1140 A 83 GLY HAx A 84 SER H 1.0 1.8 2.8 1203 1141 A 83 GLY HAx A 83 GLY H 1.0 1.8 3.5 1204 1142 A 84 SER HA A 84 SER H 1.0 1.8 3.5 1205 1143 A 84 SER HA A 85 CYS H 1.0 1.8 2.8 1206 1144 A 84 SER HA A 84 SER HBy 1.0 1.8 3.5 1207 1145 A 59 THR HG2% A 84 SER HA 1.0 1.8 3.5 1208 1146 A 59 THR HG2% A 84 SER HBx 1.0 1.8 4.5 1209 1147 A 84 SER HA A 84 SER HBx 1.0 1.8 3.5 1210 1148 A 84 SER H A 84 SER HBy 1.0 1.8 3.5 1211 1149 A 84 SER H A 84 SER HBx 1.0 1.8 3.5 1212 1150 A 85 CYS H A 84 SER HBx 1.0 1.8 4.5 1213 1151 A 85 CYS H A 84 SER HBy 1.0 1.8 4.5 1214 1152 A 81 HIS HE1 A 85 CYS HA 1.0 1.8 3.5 1215 1153 A 85 CYS HBx A 85 CYS HA 1.0 1.8 3.5 1216 1154 A 85 CYS HBy A 85 CYS H 1.0 1.8 4.5 1217 1155 A 85 CYS HBx A 85 CYS H 1.0 1.8 3.5 1218 1156 A 57 TYR HD% A 85 CYS HBy 1.0 1.8 4.5 1219 1157 A 85 CYS HBy A 85 CYS HA 1.0 1.8 2.8 1220 1158 A 85 CYS HBx A 85 CYS HA 1.0 1.8 3.5 1221 1159 A 20 SER HA A 20 SER HB2 1.0 1.8 3.5 1222 1159 A 20 SER HA A 20 SER HB3 1.0 1.8 3.5 1223 1160 A 22 ALA HB% A 22 ALA HA 1.0 1.8 2.8 1224 1161 A 24 SER HA A 24 SER HB2 1.0 1.8 2.8 1225 1161 A 24 SER HB3 A 24 SER HA 1.0 1.8 2.8 1226 1162 A 25 LEU H A 25 LEU HG 1.0 1.8 4.5 1227 1163 A 26 SER HA A 26 SER HB2 1.0 1.8 3.5 1228 1163 A 26 SER HA A 26 SER HB3 1.0 1.8 3.5 1229 1164 A 27 PRO HA A 27 PRO HDy 1.0 1.8 4.5 1230 1165 A 27 PRO HDx A 27 PRO HA 1.0 1.8 5.5 1231 1166 A 30 VAL H A 29 LYS HBx 1.0 1.8 4.5 1232 1167 A 30 VAL H A 29 LYS HBy 1.0 1.8 4.5 1233 1168 A 29 LYS HD2 A 29 LYS HE2 1.0 1.8 4.5 1234 1168 A 29 LYS HD3 A 29 LYS HE2 1.0 1.8 4.5 1235 1168 A 29 LYS HE3 A 29 LYS HD2 1.0 1.8 4.5 1236 1168 A 29 LYS HD3 A 29 LYS HE3 1.0 1.8 4.5 1237 1169 A 29 LYS HA A 29 LYS HD2 1.0 1.8 4.5 1238 1169 A 29 LYS HA A 29 LYS HD3 1.0 1.8 4.5 1239 1170 A 29 LYS HGy A 29 LYS HE2 1.0 1.8 3.5 1240 1170 A 29 LYS HGy A 29 LYS HE3 1.0 1.8 3.5 1241 1171 A 29 LYS HD2 A 29 LYS HE2 1.0 1.8 3.5 1242 1171 A 29 LYS HD3 A 29 LYS HE2 1.0 1.8 3.5 1243 1171 A 29 LYS HE3 A 29 LYS HD2 1.0 1.8 3.5 1244 1171 A 29 LYS HD3 A 29 LYS HE3 1.0 1.8 3.5 1245 1172 A 32 CYS HBy A 67 CYS HBy 1.0 1.8 4.5 1246 1173 A 36 LYS H A 35 TYR HA 1.0 1.8 4.5 1247 1174 A 35 TYR HBx A 35 TYR HA 1.0 1.8 3.5 1248 1175 A 35 TYR HBy A 35 TYR HA 1.0 1.8 4.5 1249 1176 A 33 SER HA A 36 LYS HD2 1.0 1.8 4.5 1250 1176 A 36 LYS HD3 A 33 SER HA 1.0 1.8 4.5 1251 1177 A 37 LYS HGy A 37 LYS HA 1.0 1.8 4.5 1252 1178 A 37 LYS HA A 37 LYS HB2 1.0 1.8 2.8 1253 1178 A 37 LYS HA A 37 LYS HB3 1.0 1.8 2.8 1254 1179 A 37 LYS HA A 37 LYS HB2 1.0 1.8 3.5 1255 1179 A 37 LYS HA A 37 LYS HB3 1.0 1.8 3.5 1256 1180 A 37 LYS HGy A 37 LYS HB2 1.0 1.8 4.5 1257 1180 A 37 LYS HGy A 37 LYS HB3 1.0 1.8 4.5 1258 1181 A 37 LYS HGx A 37 LYS HB2 1.0 1.8 4.5 1259 1181 A 37 LYS HGx A 37 LYS HB3 1.0 1.8 4.5 1260 1182 A 37 LYS HGy A 37 LYS HB2 1.0 1.8 4.5 1261 1182 A 37 LYS HGy A 37 LYS HB3 1.0 1.8 4.5 1262 1183 A 37 LYS HGx A 37 LYS HD2 1.0 1.8 4.5 1263 1183 A 37 LYS HGx A 37 LYS HD3 1.0 1.8 4.5 1264 1184 A 37 LYS HGx A 37 LYS HB2 1.0 1.8 4.5 1265 1184 A 37 LYS HGx A 37 LYS HB3 1.0 1.8 4.5 1266 1185 A 37 LYS HGy A 37 LYS HD2 1.0 1.8 4.5 1267 1185 A 37 LYS HGy A 37 LYS HD3 1.0 1.8 4.5 1268 1186 A 37 LYS HGx A 37 LYS HD2 1.0 1.8 4.5 1269 1186 A 37 LYS HGx A 37 LYS HD3 1.0 1.8 4.5 1270 1187 A 40 VAL H A 39 PRO HA 1.0 1.8 3.5 1271 1188 A 39 PRO HBy A 39 PRO HA 1.0 1.8 4.5 1272 1189 A 39 PRO HBx A 39 PRO HA 1.0 1.8 3.5 1273 1190 A 39 PRO HBy A 42 ALA HB% 1.0 1.8 4.5 1274 1191 A 39 PRO HBy A 39 PRO HA 1.0 1.8 3.5 1275 1192 A 39 PRO HBx A 39 PRO HA 1.0 1.8 2.8 1276 1193 A 39 PRO HDy A 39 PRO HBx 1.0 1.8 4.5 1277 1194 A 39 PRO HDx A 39 PRO HBx 1.0 1.8 4.5 1278 1195 A 39 PRO HDx A 39 PRO HBy 1.0 1.8 4.5 1279 1196 A 39 PRO HBy A 42 ALA H 1.0 1.8 4.5 1280 1197 A 39 PRO HA A 39 PRO HGy 1.0 1.8 4.5 1281 1198 A 39 PRO HDy A 39 PRO HGy 1.0 1.8 3.5 1282 1199 A 39 PRO HDx A 39 PRO HGy 1.0 1.8 3.5 1283 1200 A 39 PRO HA A 39 PRO HGx 1.0 1.8 4.5 1284 1201 A 39 PRO HBx A 39 PRO HGy 1.0 1.8 2.8 1285 1202 A 39 PRO HBy A 39 PRO HGy 1.0 1.8 3.5 1286 1203 A 39 PRO HDx A 38 TYR HBx 1.0 1.8 4.5 1287 1204 A 39 PRO HDx A 38 TYR HBy 1.0 1.8 4.5 1288 1205 A 42 ALA HA A 42 ALA H 1.0 1.8 4.5 1289 1206 A 42 ALA HA A 43 ILE H 1.0 1.8 3.5 1290 1207 A 42 ALA HA A 42 ALA HB% 1.0 1.8 3.5 1291 1208 A 71 LEU HDx% A 71 LEU HG 1.0 1.8 3.5 1292 1209 A 45 CYS HA A 64 CYS HBx 1.0 1.8 4.5 1293 1210 A 46 PRO HDy A 45 CYS HBy 1.0 1.8 4.5 1294 1211 A 46 PRO HDy A 45 CYS HBx 1.0 1.8 4.5 1295 1212 A 47 ILE H A 46 PRO HA 1.0 1.8 4.5 1296 1213 A 60 TYR H A 59 THR HA 1.0 1.8 4.5 1297 1214 A 46 PRO HBx A 46 PRO HA 1.0 1.8 4.5 1298 1215 A 46 PRO HBy A 46 PRO HA 1.0 1.8 4.5 1299 1216 A 50 LEU HA A 50 LEU H 1.0 1.8 4.5 1300 1217 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 4.5 1301 1218 A 50 LEU HA A 50 LEU HBx 1.0 1.8 3.5 1302 1219 A 50 LEU HA A 50 LEU HBy 1.0 1.8 2.8 1303 1220 A 50 LEU HA A 51 PRO HDx 1.0 1.8 3.5 1304 1221 A 50 LEU HA A 51 PRO HDy 1.0 1.8 2.8 1305 1222 A 50 LEU HDx% A 50 LEU HA 1.0 1.8 4.5 1306 1223 A 50 LEU HDx% A 50 LEU HDy% 1.0 1.8 4.5 1307 1224 A 51 PRO HA A 61 GLY HAx 1.0 1.8 4.5 1308 1225 A 51 PRO HDy A 51 PRO HA 1.0 1.8 4.5 1309 1226 A 51 PRO HA A 51 PRO HBy 1.0 1.8 3.5 1310 1227 A 53 CYS HA A 54 GLY H 1.0 1.8 3.5 1311 1228 A 54 GLY H A 53 CYS HBy 1.0 1.8 4.5 1312 1229 A 55 SER H A 54 GLY HAy 1.0 1.8 4.5 1313 1230 A 47 ILE H A 47 ILE HG1x 1.0 1.8 4.5 1314 1231 A 60 TYR H A 60 TYR HA 1.0 1.8 4.5 1315 1232 A 60 TYR HBx A 66 LEU HBy 1.0 1.8 4.5 1316 1233 A 60 TYR HBy A 65 HIS HBy 1.0 1.8 3.5 1317 1234 A 63 GLU HGy A 64 CYS H 1.0 1.8 4.5 1318 1235 A 65 HIS H A 65 HIS HA 1.0 1.8 3.5 1319 1236 A 65 HIS HBx A 61 GLY H 1.0 1.8 4.5 1320 1237 A 67 CYS H A 67 CYS HA 1.0 1.8 3.5 1321 1238 A 68 THR HA A 68 THR HB 1.0 1.8 4.5 1322 1239 A 69 GLU H A 68 THR HB 1.0 1.8 4.5 1323 1240 A 73 SER H A 73 SER HA 1.0 1.8 3.5 1324 1241 A 73 SER HA A 73 SER HBx 1.0 1.8 3.5 1325 1242 A 76 ARG H A 73 SER HBy 1.0 1.8 4.5 1326 1243 A 21 GLU HBx A 22 ALA H 1.0 1.8 4.5 1327 1244 A 77 VAL HGy% A 66 LEU HG 1.0 1.8 4.5 1328 1245 A 79 PHE H A 78 GLN HA 1.0 1.8 2.8 1329 1246 A 78 GLN HBx A 78 GLN HA 1.0 1.8 3.5 1330 1247 A 78 GLN HA A 78 GLN HG2 1.0 1.8 3.5 1331 1247 A 78 GLN HG3 A 78 GLN HA 1.0 1.8 3.5 1332 1248 A 80 LEU HBy A 80 LEU HA 1.0 1.8 3.5 1333 1249 A 80 LEU HBx A 80 LEU HA 1.0 1.8 3.5 1334 1250 A 53 CYS HBx A 85 CYS HA 1.0 1.8 4.5 1335 1251 A 63 GLU HA A 66 LEU HBx 1.0 1.8 4.5 1336 1252 A 76 ARG HDx A 76 ARG HGy 1.0 1.8 3.5 1337 1253 A 25 LEU HA A 25 LEU HDy% 1.0 1.8 4.5 1338 1254 A 28 LYS H A 27 PRO HA 1.0 1.8 2.8 1339 1255 A 27 PRO HDx A 27 PRO HG2 1.0 1.8 2.8 1340 1255 A 27 PRO HDx A 27 PRO HG3 1.0 1.8 2.8 1341 1256 A 27 PRO HDx A 26 SER HA 1.0 1.8 2.8 1342 1257 A 29 LYS H A 28 LYS HA 1.0 1.8 2.8 1343 1258 A 28 LYS HA A 28 LYS HB2 1.0 1.8 2.8 1344 1258 A 28 LYS HB3 A 28 LYS HA 1.0 1.8 2.8 1345 1259 A 28 LYS HGy A 28 LYS HD2 1.0 1.8 2.8 1346 1259 A 28 LYS HGy A 28 LYS HD3 1.0 1.8 2.8 1347 1260 A 28 LYS HGy A 28 LYS HB2 1.0 1.8 2.8 1348 1260 A 28 LYS HGy A 28 LYS HB3 1.0 1.8 2.8 1349 1261 A 28 LYS HGy A 28 LYS HD2 1.0 1.8 2.8 1350 1261 A 28 LYS HGy A 28 LYS HD3 1.0 1.8 2.8 1351 1262 A 30 VAL H A 29 LYS HA 1.0 1.8 2.8 1352 1263 A 31 ASP H A 30 VAL HA 1.0 1.8 2.8 1353 1264 A 34 ILE HB A 34 ILE HA 1.0 1.8 2.8 1354 1265 A 45 CYS H A 44 PRO HA 1.0 1.8 2.8 1355 1266 A 51 PRO HDy A 51 PRO HGy 1.0 1.8 2.8 1356 1267 A 43 ILE HA A 44 PRO HDy 1.0 1.8 2.8 1357 1268 A 47 ILE HA A 47 ILE HB 1.0 1.8 2.8 1358 1269 A 49 TYR H A 48 THR HA 1.0 1.8 2.8 1359 1270 A 50 LEU HA A 51 PRO HDy 1.0 1.8 2.8 1360 1271 A 56 ASP HBx A 56 ASP HA 1.0 1.8 3.5 1361 1272 A 56 ASP HA A 56 ASP HBy 1.0 1.8 3.5 1362 1273 A 56 ASP HBx A 56 ASP HA 1.0 1.8 3.5 1363 1274 A 57 TYR H A 57 TYR HA 1.0 1.8 2.8 1364 1275 A 59 THR H A 58 ILE HA 1.0 1.8 2.8 1365 1276 A 74 ASN HA A 74 ASN H 1.0 1.8 2.8 1366 1277 A 76 ARG HBx A 76 ARG HGx 1.0 1.8 3.5 1367 1278 A 81 HIS HBy A 81 HIS HA 1.0 1.8 2.8 1368 1279 A 81 HIS HA A 81 HIS HBx 1.0 1.8 2.8 1369 1280 A 84 SER HA A 84 SER HBy 1.0 1.8 2.8 1370 1281 A 22 ALA HA A 23 ALA H 1.0 1.8 3.5 1371 1282 A 24 SER H A 23 ALA HA 1.0 1.8 3.5 1372 1283 A 51 PRO HBy A 51 PRO HGy 1.0 1.8 2.8 1373 1284 A 39 PRO HBx A 39 PRO HGy 1.0 1.8 2.8 1374 1285 A 51 PRO HA A 52 VAL H 1.0 1.8 2.8 1375 1286 A 51 PRO HA A 51 PRO HBx 1.0 1.8 2.8 1376 1287 A 28 LYS H A 27 PRO HA 1.0 1.8 2.8 1377 1288 A 27 PRO HBy A 27 PRO HA 1.0 1.8 2.8 stop_ save_ save_CNS/XPLOR_distance_constraints_8 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_8 _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 LYS H A 32 CYS O 1.0 1.5 2.5 2 2 A 32 CYS O A 36 LYS N 1.0 2.5 3.5 3 3 A 68 THR H A 64 CYS O 1.0 1.5 2.5 4 4 A 64 CYS O A 68 THR N 1.0 2.5 3.5 5 5 A 69 GLU H A 65 HIS O 1.0 1.5 2.5 6 6 A 65 HIS O A 69 GLU N 1.0 2.5 3.5 7 7 A 70 SER H A 66 LEU O 1.0 1.5 2.5 8 8 A 66 LEU O A 70 SER N 1.0 2.5 3.5 9 9 A 71 LEU H A 67 CYS O 1.0 1.5 2.5 10 10 A 67 CYS O A 71 LEU N 1.0 2.5 3.5 11 11 A 72 LYS H A 68 THR O 1.0 1.5 2.5 12 12 A 68 THR O A 72 LYS N 1.0 2.5 3.5 13 13 A 73 SER H A 69 GLU O 1.0 1.5 2.5 14 14 A 69 GLU O A 73 SER N 1.0 2.5 3.5 15 15 A 52 VAL H A 60 TYR O 1.0 1.5 2.5 16 16 A 60 TYR O A 52 VAL N 1.0 2.5 3.5 17 17 A 60 TYR H A 52 VAL O 1.0 1.5 2.5 18 18 A 52 VAL O A 60 TYR N 1.0 2.5 3.5 19 19 A 54 GLY H A 58 ILE O 1.0 1.5 2.5 20 20 A 58 ILE O A 54 GLY N 1.0 2.5 3.5 21 21 A 53 CYS H A 81 HIS O 1.0 1.5 2.5 22 22 A 81 HIS O A 53 CYS N 1.0 2.5 3.5 23 23 A 81 HIS H A 53 CYS O 1.0 1.5 2.5 24 24 A 53 CYS O A 81 HIS N 1.0 2.5 3.5 25 25 A 83 GLY H A 51 PRO O 1.0 1.5 2.5 26 26 A 51 PRO O A 83 GLY N 1.0 2.5 3.5 stop_ save_ save_CNS/XPLOR_dihedral_9 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_9 _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 27 PRO C A 28 LYS N A 28 LYS CA A 28 LYS C 1.0 -133.54 -59.92 PHI 2 2 A 28 LYS C A 29 LYS N A 29 LYS CA A 29 LYS C 1.0 -180.06 -41.20 PHI 3 3 A 29 LYS C A 30 VAL N A 30 VAL CA A 30 VAL C 1.0 -155.14 -37.22 PHI 4 4 A 30 VAL C A 31 ASP N A 31 ASP CA A 31 ASP C 1.0 -134.61 -64.03 PHI 5 5 A 31 ASP C A 32 CYS N A 32 CYS CA A 32 CYS C 1.0 -157.34 -39.40 PHI 6 6 A 32 CYS C A 33 SER N A 33 SER CA A 33 SER C 1.0 -68.44 -51.46 PHI 7 7 A 33 SER C A 34 ILE N A 34 ILE CA A 34 ILE C 1.0 -88.26 -50.46 PHI 8 8 A 34 ILE C A 35 TYR N A 35 TYR CA A 35 TYR C 1.0 -117.66 -42.54 PHI 9 9 A 35 TYR C A 36 LYS N A 36 LYS CA A 36 LYS C 1.0 -81.10 -49.42 PHI 10 10 A 36 LYS C A 37 LYS N A 37 LYS CA A 37 LYS C 1.0 -127.75 -50.09 PHI 11 11 A 37 LYS C A 38 TYR N A 38 TYR CA A 38 TYR C 1.0 -159.75 -44.03 PHI 12 12 A 39 PRO C A 40 VAL N A 40 VAL CA A 40 VAL C 1.0 -75.11 -49.35 PHI 13 13 A 40 VAL C A 41 VAL N A 41 VAL CA A 41 VAL C 1.0 -118.42 -63.50 PHI 14 14 A 41 VAL C A 42 ALA N A 42 ALA CA A 42 ALA C 1.0 -124.10 -39.20 PHI 15 15 A 42 ALA C A 43 ILE N A 43 ILE CA A 43 ILE C 1.0 -124.64 -61.02 PHI 16 16 A 44 PRO C A 45 CYS N A 45 CYS CA A 45 CYS C 1.0 -128.15 -52.77 PHI 17 17 A 46 PRO C A 47 ILE N A 47 ILE CA A 47 ILE C 1.0 -135.20 -59.62 PHI 18 18 A 47 ILE C A 48 THR N A 48 THR CA A 48 THR C 1.0 -133.03 -41.01 PHI 19 19 A 48 THR C A 49 TYR N A 49 TYR CA A 49 TYR C 1.0 -133.99 -54.69 PHI 20 20 A 49 TYR C A 50 LEU N A 50 LEU CA A 50 LEU C 1.0 -160.90 -30.54 PHI 21 21 A 51 PRO C A 52 VAL N A 52 VAL CA A 52 VAL C 1.0 -160.62 -88.84 PHI 22 22 A 52 VAL C A 53 CYS N A 53 CYS CA A 53 CYS C 1.0 -136.06 -61.50 PHI 23 23 A 54 GLY C A 55 SER N A 55 SER CA A 55 SER C 1.0 -79.14 -42.84 PHI 24 24 A 55 SER C A 56 ASP N A 56 ASP CA A 56 ASP C 1.0 -115.58 -79.68 PHI 25 25 A 56 ASP C A 57 TYR N A 57 TYR CA A 57 TYR C 1.0 46.14 74.34 PHI 26 26 A 57 TYR C A 58 ILE N A 58 ILE CA A 58 ILE C 1.0 -134.78 -71.26 PHI 27 27 A 58 ILE C A 59 THR N A 59 THR CA A 59 THR C 1.0 -90.32 -58.78 PHI 28 28 A 60 TYR C A 61 GLY N A 61 GLY CA A 61 GLY C 1.0 -98.60 -36.08 PHI 29 29 A 62 ASN C A 63 GLU N A 63 GLU CA A 63 GLU C 1.0 -113.00 -24.68 PHI 30 30 A 63 GLU C A 64 CYS N A 64 CYS CA A 64 CYS C 1.0 -76.13 -52.55 PHI 31 31 A 64 CYS C A 65 HIS N A 65 HIS CA A 65 HIS C 1.0 -73.38 -57.26 PHI 32 32 A 65 HIS C A 66 LEU N A 66 LEU CA A 66 LEU C 1.0 -69.47 -53.35 PHI 33 33 A 66 LEU C A 67 CYS N A 67 CYS CA A 67 CYS C 1.0 -72.20 -59.82 PHI 34 34 A 67 CYS C A 68 THR N A 68 THR CA A 68 THR C 1.0 -73.71 -51.75 PHI 35 35 A 68 THR C A 69 GLU N A 69 GLU CA A 69 GLU C 1.0 -71.23 -55.57 PHI 36 36 A 69 GLU C A 70 SER N A 70 SER CA A 70 SER C 1.0 -77.10 -55.36 PHI 37 37 A 70 SER C A 71 LEU N A 71 LEU CA A 71 LEU C 1.0 -73.94 -56.24 PHI 38 38 A 71 LEU C A 72 LYS N A 72 LYS CA A 72 LYS C 1.0 -81.82 -50.82 PHI 39 39 A 72 LYS C A 73 SER N A 73 SER CA A 73 SER C 1.0 -131.45 -65.21 PHI 40 40 A 75 GLY C A 76 ARG N A 76 ARG CA A 76 ARG C 1.0 -110.62 -57.56 PHI 41 41 A 77 VAL C A 78 GLN N A 78 GLN CA A 78 GLN C 1.0 -136.65 -106.29 PHI 42 42 A 78 GLN C A 79 PHE N A 79 PHE CA A 79 PHE C 1.0 -99.71 -58.67 PHI 43 43 A 79 PHE C A 80 LEU N A 80 LEU CA A 80 LEU C 1.0 -116.72 -73.40 PHI 44 44 A 80 LEU C A 81 HIS N A 81 HIS CA A 81 HIS C 1.0 -186.66 -133.42 PHI 45 45 A 81 HIS C A 82 ASP N A 82 ASP CA A 82 ASP C 1.0 -110.67 -39.71 PHI 46 46 A 28 LYS N A 28 LYS CA A 28 LYS C A 29 LYS N 1.0 96.50 157.00 PSI 47 47 A 29 LYS N A 29 LYS CA A 29 LYS C A 30 VAL N 1.0 114.28 175.64 PSI 48 48 A 30 VAL N A 30 VAL CA A 30 VAL C A 31 ASP N 1.0 93.99 176.07 PSI 49 49 A 31 ASP N A 31 ASP CA A 31 ASP C A 32 CYS N 1.0 94.70 148.26 PSI 50 50 A 32 CYS N A 32 CYS CA A 32 CYS C A 33 SER N 1.0 -61.28 65.30 PSI 51 51 A 33 SER N A 33 SER CA A 33 SER C A 34 ILE N 1.0 -55.70 -22.70 PSI 52 52 A 34 ILE N A 34 ILE CA A 34 ILE C A 35 TYR N 1.0 -49.99 -15.87 PSI 53 53 A 35 TYR N A 35 TYR CA A 35 TYR C A 36 LYS N 1.0 -64.22 13.60 PSI 54 54 A 36 LYS N A 36 LYS CA A 36 LYS C A 37 LYS N 1.0 -49.43 -15.55 PSI 55 55 A 37 LYS N A 37 LYS CA A 37 LYS C A 38 TYR N 1.0 -58.04 43.54 PSI 56 56 A 38 TYR N A 38 TYR CA A 38 TYR C A 39 PRO N 1.0 41.19 174.61 PSI 57 57 A 39 PRO N A 39 PRO CA A 39 PRO C A 40 VAL N 1.0 126.64 160.00 PSI 58 58 A 40 VAL N A 40 VAL CA A 40 VAL C A 41 VAL N 1.0 -41.04 -10.74 PSI 59 59 A 41 VAL N A 41 VAL CA A 41 VAL C A 42 ALA N 1.0 -24.52 18.94 PSI 60 60 A 42 ALA N A 42 ALA CA A 42 ALA C A 43 ILE N 1.0 94.90 176.20 PSI 61 61 A 43 ILE N A 43 ILE CA A 43 ILE C A 44 PRO N 1.0 98.75 153.19 PSI 62 62 A 44 PRO N A 44 PRO CA A 44 PRO C A 45 CYS N 1.0 135.78 166.90 PSI 63 63 A 45 CYS N A 45 CYS CA A 45 CYS C A 46 PRO N 1.0 97.79 183.15 PSI 64 64 A 46 PRO N A 46 PRO CA A 46 PRO C A 47 ILE N 1.0 131.80 179.54 PSI 65 65 A 47 ILE N A 47 ILE CA A 47 ILE C A 48 THR N 1.0 -62.19 16.63 PSI 66 66 A 48 THR N A 48 THR CA A 48 THR C A 49 TYR N 1.0 115.46 155.22 PSI 67 67 A 49 TYR N A 49 TYR CA A 49 TYR C A 50 LEU N 1.0 98.88 144.72 PSI 68 68 A 50 LEU N A 50 LEU CA A 50 LEU C A 51 PRO N 1.0 71.09 161.99 PSI 69 69 A 51 PRO N A 51 PRO CA A 51 PRO C A 52 VAL N 1.0 119.11 180.97 PSI 70 70 A 52 VAL N A 52 VAL CA A 52 VAL C A 53 CYS N 1.0 133.71 179.97 PSI 71 71 A 53 CYS N A 53 CYS CA A 53 CYS C A 54 GLY N 1.0 85.23 159.43 PSI 72 72 A 55 SER N A 55 SER CA A 55 SER C A 56 ASP N 1.0 -62.65 20.31 PSI 73 73 A 56 ASP N A 56 ASP CA A 56 ASP C A 57 TYR N 1.0 -4.86 33.52 PSI 74 74 A 57 TYR N A 57 TYR CA A 57 TYR C A 58 ILE N 1.0 21.39 47.31 PSI 75 75 A 58 ILE N A 58 ILE CA A 58 ILE C A 59 THR N 1.0 103.89 152.71 PSI 76 76 A 59 THR N A 59 THR CA A 59 THR C A 60 TYR N 1.0 108.09 146.23 PSI 77 77 A 61 GLY N A 61 GLY CA A 61 GLY C A 62 ASN N 1.0 -56.53 2.07 PSI 78 78 A 63 GLU N A 63 GLU CA A 63 GLU C A 64 CYS N 1.0 -54.00 -27.04 PSI 79 79 A 64 CYS N A 64 CYS CA A 64 CYS C A 65 HIS N 1.0 -59.27 -18.37 PSI 80 80 A 65 HIS N A 65 HIS CA A 65 HIS C A 66 LEU N 1.0 -48.85 -30.73 PSI 81 81 A 66 LEU N A 66 LEU CA A 66 LEU C A 67 CYS N 1.0 -48.62 -41.24 PSI 82 82 A 67 CYS N A 67 CYS CA A 67 CYS C A 68 THR N 1.0 -47.72 -26.84 PSI 83 83 A 68 THR N A 68 THR CA A 68 THR C A 69 GLU N 1.0 -53.85 -32.01 PSI 84 84 A 69 GLU N A 69 GLU CA A 69 GLU C A 70 SER N 1.0 -48.07 -34.55 PSI 85 85 A 70 SER N A 70 SER CA A 70 SER C A 71 LEU N 1.0 -58.71 -28.89 PSI 86 86 A 71 LEU N A 71 LEU CA A 71 LEU C A 72 LYS N 1.0 -53.25 -24.83 PSI 87 87 A 72 LYS N A 72 LYS CA A 72 LYS C A 73 SER N 1.0 -67.60 -3.00 PSI 88 88 A 73 SER N A 73 SER CA A 73 SER C A 74 ASN N 1.0 -50.48 38.46 PSI 89 89 A 76 ARG N A 76 ARG CA A 76 ARG C A 77 VAL N 1.0 -61.75 -11.01 PSI 90 90 A 78 GLN N A 78 GLN CA A 78 GLN C A 79 PHE N 1.0 117.40 180.08 PSI 91 91 A 79 PHE N A 79 PHE CA A 79 PHE C A 80 LEU N 1.0 105.86 149.28 PSI 92 92 A 80 LEU N A 80 LEU CA A 80 LEU C A 81 HIS N 1.0 -65.74 -15.30 PSI 93 93 A 81 HIS N A 81 HIS CA A 81 HIS C A 82 ASP N 1.0 126.75 185.53 PSI 94 94 A 82 ASP N A 82 ASP CA A 82 ASP C A 83 GLY N 1.0 112.18 167.60 PSI stop_ save_