data_nef_c15776_2k3r 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 63 CYS SG 2 1 ZN ZN 1 66 CYS SG 2 1 ZN ZN 1 92 CYS SG 2 1 ZN ZN 1 95 CYS SG 2 1 ZN ZN stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET start . . 2 A 2 ALA middle . . 3 A 3 LYS middle . . 4 A 4 TYR middle . . 5 A 5 ASN middle . . 6 A 6 GLU middle . . 7 A 7 LYS middle . . 8 A 8 LYS middle . . 9 A 9 GLU middle . . 10 A 10 LYS middle . . 11 A 11 LYS middle . . 12 A 12 ARG middle . . 13 A 13 ILE middle . . 14 A 14 ALA middle . . 15 A 15 LYS middle . . 16 A 16 GLU middle . . 17 A 17 ARG middle . . 18 A 18 ILE middle . . 19 A 19 ASP middle . . 20 A 20 ILE middle . . 21 A 21 LEU middle . . 22 A 22 PHE middle . . 23 A 23 SER middle . . 24 A 24 LEU middle . . 25 A 25 ALA middle . . 26 A 26 GLU middle . . 27 A 27 ARG middle . . 28 A 28 VAL middle . . 29 A 29 PHE middle . . 30 A 30 PRO middle . false 31 A 31 TYR middle . . 32 A 32 SER middle . . 33 A 33 PRO middle . false 34 A 34 GLU middle . . 35 A 35 LEU middle . . 36 A 36 ALA middle . . 37 A 37 LYS middle . . 38 A 38 ARG middle . . 39 A 39 TYR middle . . 40 A 40 VAL middle . . 41 A 41 GLU middle . . 42 A 42 LEU middle . . 43 A 43 ALA middle . . 44 A 44 LEU middle . . 45 A 45 LEU middle . . 46 A 46 VAL middle . . 47 A 47 GLN middle . . 48 A 48 GLN middle . . 49 A 49 LYS middle . . 50 A 50 ALA middle . . 51 A 51 LYS middle . . 52 A 52 VAL middle . . 53 A 53 LYS middle . . 54 A 54 ILE middle . . 55 A 55 PRO middle . false 56 A 56 ARG middle . . 57 A 57 LYS middle . . 58 A 58 TRP middle . . 59 A 59 LYS middle . . 60 A 60 ARG middle . . 61 A 61 ARG middle . . 62 A 62 TYR middle . . 63 A 63 CYS middle -HG . 64 A 64 LYS middle . . 65 A 65 LYS middle . . 66 A 66 CYS middle -HG . 67 A 67 HIS middle . . 68 A 68 ALA middle . . 69 A 69 PHE middle . . 70 A 70 LEU middle . . 71 A 71 VAL middle . . 72 A 72 PRO middle . false 73 A 73 GLY middle . false 74 A 74 ILE middle . . 75 A 75 ASN middle . . 76 A 76 ALA middle . . 77 A 77 ARG middle . . 78 A 78 VAL middle . . 79 A 79 ARG middle . . 80 A 80 LEU middle . . 81 A 81 ARG middle . . 82 A 82 GLN middle . . 83 A 83 LYS middle . . 84 A 84 ARG middle . . 85 A 85 MET middle . . 86 A 86 PRO middle . false 87 A 87 HIS middle . . 88 A 88 ILE middle . . 89 A 89 VAL middle . . 90 A 90 VAL middle . . 91 A 91 LYS middle . . 92 A 92 CYS middle -HG . 93 A 93 LEU middle . . 94 A 94 GLU middle . . 95 A 95 CYS middle -HG . 96 A 96 GLY middle . false 97 A 97 HIS middle . . 98 A 98 ILE middle . . 99 A 99 MET middle . . 100 A 100 ARG middle . . 101 A 101 TYR middle . . 102 A 102 PRO middle . false 103 A 103 TYR middle . . 104 A 104 ILE middle . . 105 A 105 LYS middle . . 106 A 106 GLU middle . . 107 A 107 ILE middle . . 108 A 108 LYS middle . . 109 A 109 LYS middle . . 110 A 110 ARG middle . . 111 A 111 ARG middle . . 112 A 112 LYS middle . . 113 A 113 GLU middle . . 114 A 114 LYS middle . . 115 A 115 MET middle . . 116 A 116 GLU middle . . 117 A 117 TYR middle . . 118 A 118 GLY middle . false 119 A 119 GLY middle . false 120 A 120 LEU middle . . 121 A 121 VAL middle . . 122 A 122 PRO middle . false 123 A 123 ARG end . . 124 B 1 ZN . . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 18 ILE HA H 1 3.61 0.02 A 18 ILE HB H 1 2.09 0.02 A 18 ILE HD1% H 1 0.84 0.02 A 18 ILE HG1x H 1 1.43 0.02 A 18 ILE HG1y H 1 1.93 0.02 A 18 ILE HG2% H 1 1.15 0.02 A 18 ILE C C 13 176.8 0.3 A 18 ILE CA C 13 66.7 0.3 A 18 ILE CB C 13 38.6 0.3 A 18 ILE CD1 C 13 14.8 0.3 A 18 ILE CG1 C 13 30.2 0.3 A 18 ILE CG2 C 13 19.0 0.3 A 19 ASP H H 1 8.05 0.02 A 19 ASP HA H 1 4.58 0.02 A 19 ASP HBx H 1 2.95 0.02 A 19 ASP HBy H 1 3.07 0.02 A 19 ASP CA C 13 58.2 0.3 A 19 ASP CB C 13 42.5 0.3 A 19 ASP N N 15 119.1 0.3 A 20 ILE H H 1 8.24 0.02 A 20 ILE HA H 1 3.73 0.02 A 20 ILE HB H 1 2.03 0.02 A 20 ILE HD1% H 1 0.89 0.02 A 20 ILE HG1x H 1 1.78 0.02 A 20 ILE HG1y H 1 1.82 0.02 A 20 ILE HG2% H 1 0.88 0.02 A 20 ILE CA C 13 65.0 0.3 A 20 ILE CB C 13 38.3 0.3 A 20 ILE CD1 C 13 13.4 0.3 A 20 ILE CG1 C 13 29.8 0.3 A 20 ILE CG2 C 13 17.3 0.3 A 20 ILE N N 15 120.4 0.3 A 21 LEU H H 1 7.87 0.02 A 21 LEU HA H 1 4.44 0.02 A 21 LEU HBx H 1 1.81 0.02 A 21 LEU HBy H 1 1.89 0.02 A 21 LEU HD1% H 1 0.93 0.02 A 21 LEU HG H 1 1.65 0.02 A 21 LEU C C 13 178.7 0.3 A 21 LEU CA C 13 59.8 0.3 A 21 LEU CB C 13 42.2 0.3 A 21 LEU CD1 C 13 24.7 0.3 A 21 LEU CG C 13 26.0 0.3 A 21 LEU N N 15 121.1 0.3 A 22 PHE H H 1 7.82 0.02 A 22 PHE HA H 1 3.48 0.02 A 22 PHE HBx H 1 0.44 0.02 A 22 PHE HBy H 1 1.23 0.02 A 22 PHE HD1 H 1 6.99 0.02 A 22 PHE HD2 H 1 6.99 0.02 A 22 PHE HE1 H 1 6.96 0.02 A 22 PHE HE2 H 1 6.96 0.02 A 22 PHE C C 13 177.3 0.3 A 22 PHE CA C 13 63.1 0.3 A 22 PHE CB C 13 36.4 0.3 A 22 PHE CD1 C 13 131.6 0.3 A 22 PHE CD2 C 13 131.6 0.3 A 22 PHE CE1 C 13 131.5 0.3 A 22 PHE CE2 C 13 131.5 0.3 A 22 PHE N N 15 116.9 0.3 A 23 SER H H 1 7.94 0.02 A 23 SER HA H 1 4.52 0.02 A 23 SER HBx H 1 3.76 0.02 A 23 SER HBy H 1 4.25 0.02 A 23 SER C C 13 177.3 0.3 A 23 SER CA C 13 63.5 0.3 A 23 SER CB C 13 62.9 0.3 A 23 SER N N 15 114.4 0.3 A 24 LEU H H 1 8.05 0.02 A 24 LEU HA H 1 3.82 0.02 A 24 LEU HB3 H 1 1.28 0.02 A 24 LEU HD1% H 1 0.56 0.02 A 24 LEU HD2% H 1 0.56 0.02 A 24 LEU HG H 1 1.50 0.02 A 24 LEU C C 13 178.2 0.3 A 24 LEU CA C 13 58.1 0.3 A 24 LEU CB C 13 40.7 0.3 A 24 LEU CD1 C 13 23.2 0.3 A 24 LEU CD2 C 13 23.4 0.3 A 24 LEU CG C 13 25.9 0.3 A 24 LEU N N 15 124.7 0.3 A 25 ALA H H 1 7.59 0.02 A 25 ALA HA H 1 3.82 0.02 A 25 ALA HB% H 1 1.20 0.02 A 25 ALA C C 13 177.7 0.3 A 25 ALA CA C 13 55.8 0.3 A 25 ALA CB C 13 18.4 0.3 A 25 ALA N N 15 122.4 0.3 A 26 GLU H H 1 7.69 0.02 A 26 GLU HA H 1 4.27 0.02 A 26 GLU HBx H 1 2.00 0.02 A 26 GLU HBy H 1 2.03 0.02 A 26 GLU HGx H 1 2.38 0.02 A 26 GLU HGy H 1 2.49 0.02 A 26 GLU C C 13 178.6 0.3 A 26 GLU CA C 13 60.0 0.3 A 26 GLU CB C 13 31.1 0.3 A 26 GLU CG C 13 37.0 0.3 A 26 GLU N N 15 116.0 0.3 A 27 ARG H H 1 7.67 0.02 A 27 ARG HA H 1 4.19 0.02 A 27 ARG HB3 H 1 2.02 0.02 A 27 ARG HD3 H 1 3.28 0.02 A 27 ARG HGx H 1 1.85 0.02 A 27 ARG HGy H 1 1.93 0.02 A 27 ARG C C 13 178.4 0.3 A 27 ARG CA C 13 58.8 0.3 A 27 ARG CB C 13 30.7 0.3 A 27 ARG CD C 13 43.8 0.3 A 27 ARG CG C 13 27.7 0.3 A 27 ARG N N 15 116.7 0.3 A 28 VAL H H 1 8.23 0.02 A 28 VAL HA H 1 4.53 0.02 A 28 VAL HB H 1 2.34 0.02 A 28 VAL HG1% H 1 1.21 0.02 A 28 VAL HG2% H 1 1.19 0.02 A 28 VAL C C 13 176.5 0.3 A 28 VAL CA C 13 62.6 0.3 A 28 VAL CB C 13 33.0 0.3 A 28 VAL CG1 C 13 21.7 0.3 A 28 VAL CG2 C 13 21.3 0.3 A 28 VAL N N 15 112.6 0.3 A 29 PHE H H 1 8.02 0.02 A 29 PHE HA H 1 3.96 0.02 A 29 PHE HBy H 1 3.28 0.02 A 29 PHE HBx H 1 3.23 0.02 A 29 PHE HD1 H 1 7.18 0.02 A 29 PHE HD2 H 1 7.18 0.02 A 29 PHE HE1 H 1 7.60 0.02 A 29 PHE HE2 H 1 7.60 0.02 A 29 PHE CA C 13 64.5 0.3 A 29 PHE CB C 13 37.3 0.3 A 29 PHE CD1 C 13 132.9 0.3 A 29 PHE CD2 C 13 132.9 0.3 A 29 PHE CE1 C 13 133.1 0.3 A 29 PHE CE2 C 13 133.1 0.3 A 29 PHE N N 15 124.6 0.3 A 30 PRO HA H 1 4.15 0.02 A 30 PRO HBx H 1 1.29 0.02 A 30 PRO HBy H 1 2.23 0.02 A 30 PRO HD3 H 1 3.58 0.02 A 30 PRO HG3 H 1 2.01 0.02 A 30 PRO C C 13 176.6 0.3 A 30 PRO CA C 13 65.6 0.3 A 30 PRO CB C 13 31.4 0.3 A 30 PRO CD C 13 50.6 0.3 A 30 PRO CG C 13 28.7 0.3 A 31 TYR H H 1 7.54 0.02 A 31 TYR HA H 1 4.60 0.02 A 31 TYR HBx H 1 3.03 0.02 A 31 TYR HBy H 1 3.07 0.02 A 31 TYR HD1 H 1 7.11 0.02 A 31 TYR HD2 H 1 7.11 0.02 A 31 TYR HE1 H 1 6.84 0.02 A 31 TYR HE2 H 1 6.84 0.02 A 31 TYR C C 13 176.5 0.3 A 31 TYR CA C 13 58.3 0.3 A 31 TYR CB C 13 39.4 0.3 A 31 TYR CD1 C 13 134.4 0.3 A 31 TYR CD2 C 13 134.4 0.3 A 31 TYR CE1 C 13 119.1 0.3 A 31 TYR CE2 C 13 119.1 0.3 A 31 TYR N N 15 113.5 0.3 A 32 SER H H 1 8.21 0.02 A 32 SER HA H 1 4.77 0.02 A 32 SER HBx H 1 3.70 0.02 A 32 SER HBy H 1 3.87 0.02 A 32 SER CA C 13 55.7 0.3 A 32 SER CB C 13 63.2 0.3 A 32 SER N N 15 111.7 0.3 A 33 PRO HA H 1 4.25 0.02 A 33 PRO HB2 H 1 2.33 0.02 A 33 PRO HD3 H 1 3.84 0.02 A 33 PRO HG3 H 1 2.01 0.02 A 33 PRO C C 13 179.0 0.3 A 33 PRO CA C 13 65.4 0.3 A 33 PRO CB C 13 33.0 0.3 A 33 PRO CD C 13 50.7 0.3 A 33 PRO CG C 13 31.4 0.3 A 34 GLU H H 1 8.39 0.02 A 34 GLU HA H 1 4.13 0.02 A 34 GLU HB3 H 1 1.99 0.02 A 34 GLU HG2 H 1 2.32 0.02 A 34 GLU C C 13 178.7 0.3 A 34 GLU CA C 13 59.9 0.3 A 34 GLU CB C 13 30.0 0.3 A 34 GLU CG C 13 36.6 0.3 A 34 GLU N N 15 118.5 0.3 A 35 LEU H H 1 7.97 0.02 A 35 LEU HA H 1 4.07 0.02 A 35 LEU HBx H 1 1.64 0.02 A 35 LEU HBy H 1 1.75 0.02 A 35 LEU HD1% H 1 0.92 0.02 A 35 LEU HG H 1 1.73 0.02 A 35 LEU CA C 13 57.4 0.3 A 35 LEU CB C 13 42.2 0.3 A 35 LEU CD1 C 13 24.8 0.3 A 35 LEU CG C 13 27.4 0.3 A 35 LEU N N 15 122.0 0.3 A 36 ALA H H 1 7.86 0.02 A 36 ALA HA H 1 4.04 0.02 A 36 ALA HB% H 1 1.82 0.02 A 36 ALA C C 13 178.6 0.3 A 36 ALA CA C 13 56.4 0.3 A 36 ALA CB C 13 19.5 0.3 A 36 ALA N N 15 121.0 0.3 A 37 LYS H H 1 7.91 0.02 A 37 LYS HA H 1 4.30 0.02 A 37 LYS HB3 H 1 2.24 0.02 A 37 LYS HD2 H 1 1.79 0.02 A 37 LYS HE3 H 1 3.08 0.02 A 37 LYS HG3 H 1 1.43 0.02 A 37 LYS C C 13 177.8 0.3 A 37 LYS CA C 13 59.7 0.3 A 37 LYS CB C 13 32.4 0.3 A 37 LYS CD C 13 29.5 0.3 A 37 LYS CE C 13 42.6 0.3 A 37 LYS CG C 13 25.0 0.3 A 37 LYS N N 15 117.7 0.3 A 38 ARG H H 1 7.64 0.02 A 38 ARG HA H 1 4.09 0.02 A 38 ARG HBx H 1 1.89 0.02 A 38 ARG HBy H 1 1.99 0.02 A 38 ARG HDx H 1 3.12 0.02 A 38 ARG HDy H 1 3.14 0.02 A 38 ARG HG3 H 1 1.71 0.02 A 38 ARG C C 13 179.6 0.3 A 38 ARG CA C 13 59.3 0.3 A 38 ARG CB C 13 30.0 0.3 A 38 ARG CD C 13 43.6 0.3 A 38 ARG CG C 13 24.5 0.3 A 38 ARG N N 15 118.2 0.3 A 39 TYR H H 1 7.86 0.02 A 39 TYR HA H 1 4.29 0.02 A 39 TYR HB3 H 1 1.90 0.02 A 39 TYR HD1 H 1 6.92 0.02 A 39 TYR HD2 H 1 6.92 0.02 A 39 TYR HE1 H 1 6.60 0.02 A 39 TYR HE2 H 1 6.60 0.02 A 39 TYR C C 13 177.8 0.3 A 39 TYR CA C 13 62.5 0.3 A 39 TYR CB C 13 38.3 0.3 A 39 TYR CD1 C 13 133.0 0.3 A 39 TYR CD2 C 13 133.0 0.3 A 39 TYR CE1 C 13 118.7 0.3 A 39 TYR CE2 C 13 118.7 0.3 A 39 TYR N N 15 119.2 0.3 A 40 VAL H H 1 7.96 0.02 A 40 VAL HA H 1 2.75 0.02 A 40 VAL HB H 1 2.73 0.02 A 40 VAL HG1% H 1 1.10 0.02 A 40 VAL HG2% H 1 0.66 0.02 A 40 VAL C C 13 177.8 0.3 A 40 VAL CA C 13 67.3 0.3 A 40 VAL CB C 13 31.4 0.3 A 40 VAL CG1 C 13 23.3 0.3 A 40 VAL CG2 C 13 22.0 0.3 A 40 VAL N N 15 120.8 0.3 A 41 GLU H H 1 8.66 0.02 A 41 GLU HA H 1 3.68 0.02 A 41 GLU HB3 H 1 2.22 0.02 A 41 GLU HG3 H 1 2.64 0.02 A 41 GLU C C 13 179.9 0.3 A 41 GLU CA C 13 60.5 0.3 A 41 GLU CB C 13 29.4 0.3 A 41 GLU CG C 13 38.3 0.3 A 41 GLU N N 15 117.0 0.3 A 42 LEU H H 1 7.96 0.02 A 42 LEU HA H 1 4.13 0.02 A 42 LEU HB3 H 1 1.90 0.02 A 42 LEU HD1% H 1 0.94 0.02 A 42 LEU HD2% H 1 0.87 0.02 A 42 LEU HG H 1 1.74 0.02 A 42 LEU C C 13 178.3 0.3 A 42 LEU CA C 13 58.0 0.3 A 42 LEU CB C 13 42.3 0.3 A 42 LEU CD1 C 13 24.7 0.3 A 42 LEU CD2 C 13 24.1 0.3 A 42 LEU CG C 13 27.5 0.3 A 42 LEU N N 15 120.3 0.3 A 43 ALA H H 1 8.04 0.02 A 43 ALA HA H 1 3.74 0.02 A 43 ALA HB% H 1 1.14 0.02 A 43 ALA C C 13 179.4 0.3 A 43 ALA CA C 13 55.7 0.3 A 43 ALA CB C 13 18.5 0.3 A 43 ALA N N 15 123.6 0.3 A 44 LEU H H 1 8.34 0.02 A 44 LEU HA H 1 4.07 0.02 A 44 LEU HBx H 1 1.35 0.02 A 44 LEU HBy H 1 1.68 0.02 A 44 LEU HD1% H 1 0.50 0.02 A 44 LEU HD2% H 1 0.26 0.02 A 44 LEU HG H 1 1.63 0.02 A 44 LEU C C 13 180.0 0.3 A 44 LEU CA C 13 57.5 0.3 A 44 LEU CB C 13 40.8 0.3 A 44 LEU CD1 C 13 21.3 0.3 A 44 LEU CD2 C 13 24.8 0.3 A 44 LEU CG C 13 27.0 0.3 A 44 LEU N N 15 116.8 0.3 A 45 LEU H H 1 7.86 0.02 A 45 LEU HA H 1 4.17 0.02 A 45 LEU HBy H 1 1.89 0.02 A 45 LEU HBx H 1 1.81 0.02 A 45 LEU HD1% H 1 0.87 0.02 A 45 LEU HD2% H 1 0.922 0.02 A 45 LEU HG H 1 1.71 0.02 A 45 LEU C C 13 179.6 0.3 A 45 LEU CA C 13 58.4 0.3 A 45 LEU CB C 13 42.2 0.3 A 45 LEU CD1 C 13 24.17 0.3 A 45 LEU CD2 C 13 24.47 0.3 A 45 LEU CG C 13 27.22 0.3 A 45 LEU N N 15 122.6 0.3 A 46 VAL H H 1 8.07 0.02 A 46 VAL HA H 1 3.61 0.02 A 46 VAL HB H 1 2.21 0.02 A 46 VAL HG1% H 1 1.02 0.02 A 46 VAL HG2% H 1 0.92 0.02 A 46 VAL CA C 13 66.8 0.3 A 46 VAL CB C 13 31.6 0.3 A 46 VAL CG1 C 13 23.0 0.3 A 46 VAL N N 15 120.1 0.3 A 47 GLN H H 1 8.36 0.02 A 47 GLN HA H 1 3.86 0.02 A 47 GLN HB3 H 1 1.94 0.02 A 47 GLN HE21 H 1 7.60 0.02 A 47 GLN HE22 H 1 6.57 0.02 A 47 GLN HGx H 1 2.47 0.02 A 47 GLN HGy H 1 2.50 0.02 A 47 GLN C C 13 178.0 0.3 A 47 GLN CA C 13 60.2 0.3 A 47 GLN CB C 13 27.8 0.3 A 47 GLN CG C 13 33.0 0.3 A 47 GLN N N 15 120.0 0.3 A 47 GLN NE2 N 15 109.0 0.3 A 48 GLN H H 1 8.11 0.02 A 48 GLN HA H 1 4.08 0.02 A 48 GLN HBx H 1 2.23 0.02 A 48 GLN HBy H 1 2.27 0.02 A 48 GLN HE21 H 1 7.33 0.02 A 48 GLN HE22 H 1 6.79 0.02 A 48 GLN HGx H 1 2.48 0.02 A 48 GLN HGy H 1 2.64 0.02 A 48 GLN C C 13 178.5 0.3 A 48 GLN CA C 13 58.9 0.3 A 48 GLN CB C 13 29.4 0.3 A 48 GLN CG C 13 34.5 0.3 A 48 GLN N N 15 117.6 0.3 A 48 GLN NE2 N 15 110.8 0.3 A 49 LYS H H 1 8.11 0.02 A 49 LYS HA H 1 4.19 0.02 A 49 LYS HB3 H 1 1.95 0.02 A 49 LYS HD3 H 1 1.73 0.02 A 49 LYS HEx H 1 3.23 0.02 A 49 LYS HEy H 1 3.29 0.02 A 49 LYS HG3 H 1 1.49 0.02 A 49 LYS C C 13 177.8 0.3 A 49 LYS CA C 13 58.6 0.3 A 49 LYS CB C 13 33.0 0.3 A 49 LYS CD C 13 28.0 0.3 A 49 LYS CE C 13 44.0 0.3 A 49 LYS CG C 13 25.4 0.3 A 49 LYS N N 15 118.1 0.3 A 50 ALA H H 1 8.24 0.02 A 50 ALA HA H 1 4.46 0.02 A 50 ALA HB% H 1 1.55 0.02 A 50 ALA C C 13 176.7 0.3 A 50 ALA CA C 13 52.7 0.3 A 50 ALA CB C 13 21.1 0.3 A 50 ALA N N 15 119.0 0.3 A 51 LYS H H 1 8.00 0.02 A 51 LYS HA H 1 4.03 0.02 A 51 LYS HBx H 1 1.94 0.02 A 51 LYS HBy H 1 2.05 0.02 A 51 LYS HD3 H 1 1.75 0.02 A 51 LYS HEx H 1 3.03 0.02 A 51 LYS HEy H 1 3.07 0.02 A 51 LYS HG3 H 1 1.42 0.02 A 51 LYS C C 13 175.8 0.3 A 51 LYS CA C 13 57.5 0.3 A 51 LYS CB C 13 29.5 0.3 A 51 LYS CD C 13 29.8 0.3 A 51 LYS CE C 13 42.9 0.3 A 51 LYS CG C 13 25.2 0.3 A 51 LYS N N 15 114.5 0.3 A 52 VAL H H 1 7.00 0.02 A 52 VAL HA H 1 4.57 0.02 A 52 VAL HB H 1 2.30 0.02 A 52 VAL HG1% H 1 1.01 0.02 A 52 VAL HG2% H 1 0.88 0.02 A 52 VAL C C 13 175.0 0.3 A 52 VAL CA C 13 59.6 0.3 A 52 VAL CB C 13 34.9 0.3 A 52 VAL CG1 C 13 22.0 0.3 A 52 VAL CG2 C 13 20.1 0.3 A 52 VAL N N 15 111.6 0.3 A 53 LYS H H 1 8.15 0.02 A 53 LYS HA H 1 4.51 0.02 A 53 LYS HB2 H 1 1.74 0.02 A 53 LYS C C 13 176.8 0.3 A 53 LYS CA C 13 55.7 0.3 A 53 LYS CB C 13 34.0 0.3 A 53 LYS N N 15 120.8 0.3 A 54 ILE H H 1 8.37 0.02 A 54 ILE HA H 1 4.53 0.02 A 54 ILE HB H 1 2.01 0.02 A 54 ILE HD1% H 1 0.94 0.02 A 54 ILE HG1x H 1 1.30 0.02 A 54 ILE HG1y H 1 1.61 0.02 A 54 ILE HG2% H 1 1.25 0.02 A 54 ILE CA C 13 58.7 0.3 A 54 ILE CB C 13 38.4 0.3 A 54 ILE CD1 C 13 12.3 0.3 A 54 ILE CG1 C 13 27.7 0.3 A 54 ILE CG2 C 13 17.4 0.3 A 54 ILE N N 15 122.5 0.3 A 57 LYS HA H 1 3.78 0.02 A 57 LYS HBx H 1 0.91 0.02 A 57 LYS HBy H 1 1.46 0.02 A 57 LYS HDx H 1 1.18 0.02 A 57 LYS HDy H 1 1.25 0.02 A 57 LYS HEx H 1 2.25 0.02 A 57 LYS HEy H 1 2.52 0.02 A 57 LYS HGx H 1 0.12 0.02 A 57 LYS HGy H 1 0.18 0.02 A 57 LYS C C 13 176.3 0.3 A 57 LYS CA C 13 59.0 0.3 A 57 LYS CB C 13 32.3 0.3 A 57 LYS CD C 13 29.7 0.3 A 57 LYS CE C 13 41.9 0.3 A 57 LYS CG C 13 23.7 0.3 A 58 TRP H H 1 7.25 0.02 A 58 TRP HA H 1 4.85 0.02 A 58 TRP HBx H 1 1.94 0.02 A 58 TRP HBy H 1 1.99 0.02 A 58 TRP HD1 H 1 6.60 0.02 A 58 TRP HE1 H 1 11.24 0.02 A 58 TRP HE3 H 1 6.65 0.02 A 58 TRP HH2 H 1 7.41 0.02 A 58 TRP HZ2 H 1 7.59 0.02 A 58 TRP HZ3 H 1 7.27 0.02 A 58 TRP C C 13 176.8 0.3 A 58 TRP CA C 13 55.4 0.3 A 58 TRP CB C 13 31.3 0.3 A 58 TRP CD1 C 13 129.7 0.3 A 58 TRP CE3 C 13 125.9 0.3 A 58 TRP CH2 C 13 126.2 0.3 A 58 TRP CZ2 C 13 116.5 0.3 A 58 TRP CZ3 C 13 119.1 0.3 A 58 TRP N N 15 116.3 0.3 A 58 TRP NE1 N 15 130.5 0.3 A 59 LYS H H 1 7.31 0.02 A 59 LYS HA H 1 3.96 0.02 A 59 LYS HBx H 1 1.82 0.02 A 59 LYS HBy H 1 1.86 0.02 A 59 LYS HD3 H 1 1.72 0.02 A 59 LYS HE3 H 1 3.04 0.02 A 59 LYS HG3 H 1 1.46 0.02 A 59 LYS CA C 13 60.6 0.3 A 59 LYS CB C 13 33.5 0.3 A 59 LYS CD C 13 29.7 0.3 A 59 LYS CE C 13 42.6 0.3 A 59 LYS CG C 13 25.5 0.3 A 59 LYS N N 15 118.6 0.3 A 60 ARG HA H 1 4.54 0.02 A 60 ARG HB2 H 1 1.85 0.02 A 60 ARG HD3 H 1 3.18 0.02 A 60 ARG HGy H 1 1.56 0.02 A 60 ARG HGx H 1 1.44 0.02 A 60 ARG C C 13 177.2 0.3 A 60 ARG CA C 13 55.4 0.3 A 60 ARG CB C 13 30.4 0.3 A 60 ARG CD C 13 43.9 0.3 A 60 ARG CG C 13 27.6 0.3 A 61 ARG H H 1 7.62 0.02 A 61 ARG HA H 1 4.25 0.02 A 61 ARG HBx H 1 1.93 0.02 A 61 ARG HBy H 1 2.05 0.02 A 61 ARG C C 13 172.3 0.3 A 61 ARG CA C 13 54.4 0.3 A 61 ARG CB C 13 27.9 0.3 A 61 ARG CD C 13 41.6 0.3 A 61 ARG N N 15 116.0 0.3 A 62 TYR H H 1 6.98 0.02 A 62 TYR HA H 1 5.86 0.02 A 62 TYR HBx H 1 2.99 0.02 A 62 TYR HBy H 1 3.08 0.02 A 62 TYR HD1 H 1 7.07 0.02 A 62 TYR HD2 H 1 7.07 0.02 A 62 TYR HE1 H 1 6.80 0.02 A 62 TYR HE2 H 1 6.80 0.02 A 62 TYR C C 13 173.1 0.3 A 62 TYR CA C 13 55.0 0.3 A 62 TYR CB C 13 43.0 0.3 A 62 TYR CD1 C 13 134.5 0.3 A 62 TYR CD2 C 13 134.5 0.3 A 62 TYR CE1 C 13 119.1 0.3 A 62 TYR CE2 C 13 119.1 0.3 A 62 TYR N N 15 112.3 0.3 A 63 CYS H H 1 9.22 0.02 A 63 CYS HA H 1 4.28 0.02 A 63 CYS HBx H 1 3.03 0.02 A 63 CYS HBy H 1 3.45 0.02 A 63 CYS C C 13 178.0 0.3 A 63 CYS CA C 13 59.9 0.3 A 63 CYS CB C 13 32.3 0.3 A 63 CYS N N 15 124.1 0.3 A 64 LYS H H 1 7.82 0.02 A 64 LYS HA H 1 4.24 0.02 A 64 LYS HB3 H 1 1.81 0.02 A 64 LYS HE3 H 1 3.18 0.02 A 64 LYS HG2 H 1 1.46 0.02 A 64 LYS C C 13 175.4 0.3 A 64 LYS CA C 13 59.5 0.3 A 64 LYS CB C 13 33.6 0.3 A 64 LYS CD C 13 29.6 0.3 A 64 LYS CE C 13 43.9 0.3 A 64 LYS CG C 13 27.1 0.3 A 64 LYS N N 15 129.3 0.3 A 65 LYS H H 1 9.27 0.02 A 65 LYS HA H 1 4.25 0.02 A 65 LYS HBx H 1 0.62 0.02 A 65 LYS HBy H 1 1.82 0.02 A 65 LYS HDx H 1 1.50 0.02 A 65 LYS HDy H 1 1.66 0.02 A 65 LYS HE3 H 1 2.93 0.02 A 65 LYS HG3 H 1 0.94 0.02 A 65 LYS C C 13 176.3 0.3 A 65 LYS CA C 13 58.5 0.3 A 65 LYS CB C 13 33.7 0.3 A 65 LYS CD C 13 29.2 0.3 A 65 LYS CE C 13 42.8 0.3 A 65 LYS CG C 13 25.2 0.3 A 65 LYS N N 15 122.5 0.3 A 66 CYS H H 1 9.19 0.02 A 66 CYS HA H 1 4.56 0.02 A 66 CYS HBx H 1 2.74 0.02 A 66 CYS HBy H 1 3.16 0.02 A 66 CYS C C 13 176.2 0.3 A 66 CYS CA C 13 59.7 0.3 A 66 CYS CB C 13 32.2 0.3 A 66 CYS N N 15 121.2 0.3 A 67 HIS H H 1 7.70 0.02 A 67 HIS HA H 1 4.85 0.02 A 67 HIS HB3 H 1 3.38 0.02 A 67 HIS C C 13 171.0 0.3 A 67 HIS CA C 13 56.2 0.3 A 67 HIS CB C 13 26.8 0.3 A 67 HIS N N 15 114.2 0.3 A 68 ALA H H 1 8.72 0.02 A 68 ALA HA H 1 4.23 0.02 A 68 ALA HB% H 1 1.41 0.02 A 68 ALA C C 13 177.8 0.3 A 68 ALA CA C 13 53.8 0.3 A 68 ALA CB C 13 19.8 0.3 A 68 ALA N N 15 119.6 0.3 A 69 PHE H H 1 8.50 0.02 A 69 PHE HA H 1 4.59 0.02 A 69 PHE HBx H 1 2.96 0.02 A 69 PHE HBy H 1 3.20 0.02 A 69 PHE HD1 H 1 6.96 0.02 A 69 PHE HD2 H 1 6.96 0.02 A 69 PHE HE1 H 1 7.33 0.02 A 69 PHE HE2 H 1 7.33 0.02 A 69 PHE HZ H 1 7.45 0.02 A 69 PHE C C 13 174.2 0.3 A 69 PHE CA C 13 58.3 0.3 A 69 PHE CB C 13 40.9 0.3 A 69 PHE CD1 C 13 132.9 0.3 A 69 PHE CD2 C 13 132.9 0.3 A 69 PHE CE1 C 13 131.6 0.3 A 69 PHE CE2 C 13 131.6 0.3 A 69 PHE CZ C 13 130.0 0.3 A 69 PHE N N 15 122.2 0.3 A 70 LEU H H 1 7.55 0.02 A 70 LEU HA H 1 4.54 0.02 A 70 LEU HB3 H 1 0.67 0.02 A 70 LEU HD1% H 1 0.90 0.02 A 70 LEU HD2% H 1 0.50 0.02 A 70 LEU HG H 1 1.45 0.02 A 70 LEU C C 13 176.0 0.3 A 70 LEU CA C 13 53.7 0.3 A 70 LEU CB C 13 43.6 0.3 A 70 LEU CD1 C 13 23.2 0.3 A 70 LEU CD2 C 13 26.6 0.3 A 70 LEU CG C 13 27.1 0.3 A 70 LEU N N 15 124.7 0.3 A 71 VAL H H 1 9.70 0.02 A 71 VAL HA H 1 4.14 0.02 A 71 VAL HB H 1 1.73 0.02 A 71 VAL HG1% H 1 0.91 0.02 A 71 VAL HG2% H 1 0.29 0.02 A 71 VAL CA C 13 59.6 0.3 A 71 VAL CB C 13 34.0 0.3 A 71 VAL CG1 C 13 21.6 0.3 A 71 VAL CG2 C 13 21.1 0.3 A 71 VAL N N 15 125.8 0.3 A 72 PRO HA H 1 4.17 0.02 A 72 PRO HBx H 1 2.00 0.02 A 72 PRO HBy H 1 2.21 0.02 A 72 PRO HDx H 1 3.70 0.02 A 72 PRO HDy H 1 3.83 0.02 A 72 PRO HGx H 1 1.92 0.02 A 72 PRO HGy H 1 2.08 0.02 A 72 PRO C C 13 176.2 0.3 A 72 PRO CA C 13 64.1 0.3 A 72 PRO CB C 13 32.2 0.3 A 72 PRO CD C 13 51.2 0.3 A 72 PRO CG C 13 27.8 0.3 A 73 GLY H H 1 8.50 0.02 A 73 GLY HAx H 1 3.86 0.02 A 73 GLY HAy H 1 4.55 0.02 A 73 GLY CA C 13 45.7 0.3 A 73 GLY N N 15 112.2 0.3 A 74 ILE H H 1 8.36 0.02 A 74 ILE HA H 1 4.58 0.02 A 74 ILE HB H 1 2.00 0.02 A 74 ILE HD1% H 1 1.03 0.02 A 74 ILE HG1x H 1 1.30 0.02 A 74 ILE HG1y H 1 1.62 0.02 A 74 ILE HG2% H 1 0.88 0.02 A 74 ILE C C 13 175.7 0.3 A 74 ILE CA C 13 62.7 0.3 A 74 ILE CB C 13 38.4 0.3 A 74 ILE CD1 C 13 12.0 0.3 A 74 ILE CG1 C 13 28.3 0.3 A 74 ILE CG2 C 13 18.1 0.3 A 74 ILE N N 15 120.2 0.3 A 75 ASN H H 1 8.47 0.02 A 75 ASN HA H 1 4.97 0.02 A 75 ASN HBx H 1 2.89 0.02 A 75 ASN HBy H 1 3.47 0.02 A 75 ASN HD21 H 1 8.72 0.02 A 75 ASN C C 13 172.9 0.3 A 75 ASN CA C 13 52.6 0.3 A 75 ASN CB C 13 38.6 0.3 A 75 ASN N N 15 116.4 0.3 A 75 ASN ND2 N 15 112.4 0.3 A 76 ALA H H 1 7.25 0.02 A 76 ALA HA H 1 5.51 0.02 A 76 ALA HB% H 1 1.07 0.02 A 76 ALA C C 13 176.2 0.3 A 76 ALA CA C 13 50.4 0.3 A 76 ALA CB C 13 23.2 0.3 A 76 ALA N N 15 117.4 0.3 A 77 ARG H H 1 8.85 0.02 A 77 ARG HA H 1 4.95 0.02 A 77 ARG HBx H 1 1.73 0.02 A 77 ARG HBy H 1 1.84 0.02 A 77 ARG HDx H 1 3.24 0.02 A 77 ARG HDy H 1 3.31 0.02 A 77 ARG HGx H 1 1.58 0.02 A 77 ARG HGy H 1 1.74 0.02 A 77 ARG CA C 13 54.8 0.3 A 77 ARG CB C 13 33.7 0.3 A 77 ARG CD C 13 43.8 0.3 A 77 ARG CG C 13 27.6 0.3 A 77 ARG N N 15 123.0 0.3 A 78 VAL H H 1 8.92 0.02 A 78 VAL HA H 1 4.73 0.02 A 78 VAL HB H 1 2.22 0.02 A 78 VAL HG1% H 1 0.84 0.02 A 78 VAL HG2% H 1 1.08 0.02 A 78 VAL CA C 13 61.4 0.3 A 78 VAL CB C 13 34.4 0.3 A 78 VAL CG1 C 13 21.4 0.3 A 78 VAL CG2 C 13 21.8 0.3 A 78 VAL N N 15 127.4 0.3 A 79 ARG H H 1 9.00 0.02 A 79 ARG HA H 1 4.75 0.02 A 79 ARG HB3 H 1 1.99 0.02 A 79 ARG HDx H 1 3.23 0.02 A 79 ARG HDy H 1 3.29 0.02 A 79 ARG HGx H 1 1.56 0.02 A 79 ARG HGy H 1 1.73 0.02 A 79 ARG CA C 13 54.4 0.3 A 79 ARG CB C 13 34.3 0.3 A 79 ARG CD C 13 43.8 0.3 A 79 ARG CG C 13 27.7 0.3 A 79 ARG N N 15 126.4 0.3 A 80 LEU H H 1 8.48 0.02 A 80 LEU HA H 1 4.69 0.02 A 80 LEU HBx H 1 1.36 0.02 A 80 LEU HBy H 1 1.58 0.02 A 80 LEU HD1% H 1 0.60 0.02 A 80 LEU HD2% H 1 0.50 0.02 A 80 LEU HG H 1 1.26 0.02 A 80 LEU CA C 13 54.6 0.3 A 80 LEU CB C 13 43.5 0.3 A 80 LEU CD1 C 13 25.3 0.3 A 80 LEU CD2 C 13 24.0 0.3 A 80 LEU CG C 13 28.2 0.3 A 80 LEU N N 15 124.7 0.3 A 81 ARG H H 1 8.80 0.02 A 81 ARG HA H 1 4.54 0.02 A 81 ARG HB2 H 1 1.28 0.02 A 81 ARG HD2 H 1 3.17 0.02 A 81 ARG HG2 H 1 1.63 0.02 A 81 ARG CA C 13 54.6 0.3 A 81 ARG CB C 13 31.6 0.3 A 81 ARG CD C 13 43.6 0.3 A 81 ARG CG C 13 27.5 0.3 A 81 ARG N N 15 126.1 0.3 A 86 PRO HA H 1 4.70 0.02 A 86 PRO HBx H 1 2.18 0.02 A 86 PRO HBy H 1 2.40 0.02 A 86 PRO HDx H 1 3.55 0.02 A 86 PRO HDy H 1 3.64 0.02 A 86 PRO HG3 H 1 1.93 0.02 A 86 PRO C C 13 176.4 0.3 A 86 PRO CA C 13 64.0 0.3 A 86 PRO CB C 13 32.6 0.3 A 86 PRO CD C 13 51.2 0.3 A 87 HIS H H 1 8.56 0.02 A 87 HIS HA H 1 5.14 0.02 A 87 HIS HBx H 1 3.00 0.02 A 87 HIS HBy H 1 3.16 0.02 A 87 HIS C C 13 172.6 0.3 A 87 HIS CA C 13 56.0 0.3 A 87 HIS CB C 13 32.4 0.3 A 87 HIS N N 15 118.7 0.3 A 88 ILE H H 1 9.25 0.02 A 88 ILE HA H 1 4.71 0.02 A 88 ILE HB H 1 1.77 0.02 A 88 ILE HD1% H 1 0.81 0.02 A 88 ILE HG1x H 1 1.10 0.02 A 88 ILE HG1y H 1 1.58 0.02 A 88 ILE HG2% H 1 0.86 0.02 A 88 ILE CA C 13 60.2 0.3 A 88 ILE CB C 13 40.6 0.3 A 88 ILE CD1 C 13 13.3 0.3 A 88 ILE CG1 C 13 28.4 0.3 A 88 ILE CG2 C 13 18.3 0.3 A 88 ILE N N 15 120.6 0.3 A 89 VAL H H 1 9.05 0.02 A 89 VAL HA H 1 4.80 0.02 A 89 VAL HB H 1 1.99 0.02 A 89 VAL HG1% H 1 1.00 0.02 A 89 VAL HG2% H 1 0.92 0.02 A 89 VAL C C 13 175.0 0.3 A 89 VAL CA C 13 61.4 0.3 A 89 VAL CB C 13 34.4 0.3 A 89 VAL CG1 C 13 22.5 0.3 A 89 VAL CG2 C 13 22.1 0.3 A 90 VAL H H 1 9.34 0.02 A 90 VAL HA H 1 5.16 0.02 A 90 VAL HB H 1 1.99 0.02 A 90 VAL HG1% H 1 0.87 0.02 A 90 VAL HG2% H 1 0.91 0.02 A 90 VAL C C 13 173.6 0.3 A 90 VAL CA C 13 61.4 0.3 A 90 VAL CB C 13 34.1 0.3 A 90 VAL CG1 C 13 21.5 0.3 A 90 VAL CG2 C 13 21.4 0.3 A 90 VAL N N 15 128.0 0.3 A 91 LYS H H 1 9.03 0.02 A 91 LYS HA H 1 5.16 0.02 A 91 LYS HBx H 1 1.53 0.02 A 91 LYS HBy H 1 1.79 0.02 A 91 LYS HD3 H 1 1.56 0.02 A 91 LYS HE3 H 1 2.93 0.02 A 91 LYS HGx H 1 1.01 0.02 A 91 LYS HGy H 1 1.16 0.02 A 91 LYS C C 13 175.3 0.3 A 91 LYS CA C 13 54.1 0.3 A 91 LYS CB C 13 36.6 0.3 A 91 LYS CD C 13 30.6 0.3 A 91 LYS CE C 13 42.8 0.3 A 91 LYS CG C 13 25.9 0.3 A 91 LYS N N 15 128.1 0.3 A 92 CYS H H 1 9.05 0.02 A 92 CYS HA H 1 4.95 0.02 A 92 CYS HBx H 1 2.83 0.02 A 92 CYS HBy H 1 2.87 0.02 A 92 CYS C C 13 177.3 0.3 A 92 CYS CA C 13 59.6 0.3 A 92 CYS CB C 13 32.6 0.3 A 92 CYS N N 15 129.9 0.3 A 93 LEU H H 1 8.91 0.02 A 93 LEU HA H 1 4.48 0.02 A 93 LEU HBx H 1 1.54 0.02 A 93 LEU HBy H 1 1.71 0.02 A 93 LEU HD1% H 1 0.80 0.02 A 93 LEU HD2% H 1 0.76 0.02 A 93 LEU HG H 1 1.43 0.02 A 93 LEU C C 13 178.1 0.3 A 93 LEU CA C 13 55.3 0.3 A 93 LEU CB C 13 40.5 0.3 A 93 LEU CD1 C 13 25.4 0.3 A 93 LEU CD2 C 13 22.0 0.3 A 93 LEU CG C 13 27.5 0.3 A 93 LEU N N 15 127.3 0.3 A 94 GLU H H 1 9.46 0.02 A 94 GLU HA H 1 4.42 0.02 A 94 GLU HBx H 1 1.88 0.02 A 94 GLU HBy H 1 2.14 0.02 A 94 GLU HGx H 1 2.34 0.02 A 94 GLU HGy H 1 2.47 0.02 A 94 GLU C C 13 178.4 0.3 A 94 GLU CA C 13 59.7 0.3 A 94 GLU CB C 13 29.9 0.3 A 94 GLU CG C 13 36.8 0.3 A 94 GLU N N 15 122.9 0.3 A 95 CYS H H 1 9.11 0.02 A 95 CYS HA H 1 5.14 0.02 A 95 CYS HBx H 1 2.58 0.02 A 95 CYS HBy H 1 3.28 0.02 A 95 CYS C C 13 176.9 0.3 A 95 CYS CA C 13 58.9 0.3 A 95 CYS CB C 13 33.6 0.3 A 95 CYS N N 15 119.2 0.3 A 96 GLY H H 1 8.00 0.02 A 96 GLY HA2 H 1 3.85 0.02 A 96 GLY C C 13 174.1 0.3 A 96 GLY CA C 13 46.5 0.3 A 96 GLY N N 15 115.3 0.3 A 97 HIS H H 1 9.31 0.02 A 97 HIS HA H 1 4.50 0.02 A 97 HIS HBx H 1 3.13 0.02 A 97 HIS HBy H 1 3.33 0.02 A 97 HIS C C 13 173.2 0.3 A 97 HIS CA C 13 58.6 0.3 A 97 HIS CB C 13 33.0 0.3 A 97 HIS N N 15 125.3 0.3 A 98 ILE H H 1 6.89 0.02 A 98 ILE HA H 1 4.76 0.02 A 98 ILE HB H 1 1.55 0.02 A 98 ILE HD1% H 1 0.86 0.02 A 98 ILE HG1x H 1 0.93 0.02 A 98 ILE HG1y H 1 1.75 0.02 A 98 ILE HG2% H 1 0.71 0.02 A 98 ILE C C 13 175.0 0.3 A 98 ILE CA C 13 60.0 0.3 A 98 ILE CB C 13 40.2 0.3 A 98 ILE CD1 C 13 13.4 0.3 A 98 ILE CG1 C 13 28.4 0.3 A 98 ILE CG2 C 13 18.3 0.3 A 98 ILE N N 15 123.6 0.3 A 99 MET H H 1 9.05 0.02 A 99 MET HA H 1 4.63 0.02 A 99 MET HBx H 1 2.62 0.02 A 99 MET HBy H 1 2.74 0.02 A 99 MET HE% H 1 2.21 0.02 A 99 MET HGx H 1 2.99 0.02 A 99 MET HGy H 1 3.12 0.02 A 99 MET C C 13 173.1 0.3 A 99 MET CA C 13 54.4 0.3 A 99 MET CB C 13 37.9 0.3 A 99 MET CE C 13 17.7 0.3 A 99 MET CG C 13 33.2 0.3 A 99 MET N N 15 126.4 0.3 A 100 ARG H H 1 7.93 0.02 A 100 ARG HA H 1 5.37 0.02 A 100 ARG HBx H 1 1.76 0.02 A 100 ARG HBy H 1 1.84 0.02 A 100 ARG HD3 H 1 2.87 0.02 A 100 ARG HGx H 1 1.43 0.02 A 100 ARG HGy H 1 1.50 0.02 A 100 ARG C C 13 175.2 0.3 A 100 ARG CA C 13 54.7 0.3 A 100 ARG CB C 13 33.6 0.3 A 100 ARG CD C 13 43.5 0.3 A 100 ARG CG C 13 28.3 0.3 A 100 ARG N N 15 120.2 0.3 A 101 TYR H H 1 9.11 0.02 A 101 TYR HA H 1 5.13 0.02 A 101 TYR HBx H 1 2.58 0.02 A 101 TYR HBy H 1 3.21 0.02 A 101 TYR HD1 H 1 7.04 0.02 A 101 TYR HD2 H 1 7.04 0.02 A 101 TYR HE1 H 1 6.73 0.02 A 101 TYR HE2 H 1 6.73 0.02 A 101 TYR CA C 13 55.3 0.3 A 101 TYR CB C 13 40.9 0.3 A 101 TYR CD1 C 13 134.5 0.3 A 101 TYR CD2 C 13 134.5 0.3 A 101 TYR CE1 C 13 119.1 0.3 A 101 TYR CE2 C 13 119.1 0.3 A 101 TYR N N 15 121.1 0.3 A 122 PRO HA H 1 4.42 0.02 A 122 PRO HBx H 1 1.98 0.02 A 122 PRO HBy H 1 2.24 0.02 A 122 PRO C C 13 175.6 0.3 A 122 PRO CA C 13 63.7 0.3 A 122 PRO CB C 13 32.8 0.3 A 122 PRO CD C 13 51.7 0.3 A 122 PRO CG C 13 27.8 0.3 A 123 ARG H H 1 7.79 0.02 A 123 ARG HA H 1 4.20 0.02 A 123 ARG HBx H 1 1.74 0.02 A 123 ARG HBy H 1 1.91 0.02 A 123 ARG HD3 H 1 3.25 0.02 A 123 ARG HGx H 1 1.37 0.02 A 123 ARG HGy H 1 1.65 0.02 A 123 ARG CA C 13 57.9 0.3 A 123 ARG CB C 13 32.4 0.3 A 123 ARG CD C 13 44.3 0.3 A 123 ARG CG C 13 27.9 0.3 A 123 ARG N N 15 126.3 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 18 ILE H A 17 ARG HDy 1.0 1.8 4.09 2 2 A 18 ILE H A 18 ILE HB 1.0 1.8 4.33 3 3 A 18 ILE H A 18 ILE HD1% 1.0 1.8 5.90 4 4 A 18 ILE HB A 18 ILE HG2% 1.0 1.8 5.17 5 5 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 4.73 6 6 A 18 ILE HD1% A 18 ILE HG1y 1.0 1.8 4.70 7 7 A 18 ILE HA A 18 ILE HD1% 1.0 1.8 5.09 8 8 A 18 ILE HB A 18 ILE HG2% 1.0 1.8 4.72 9 9 A 18 ILE HA A 18 ILE HG2% 1.0 1.8 4.91 10 10 A 18 ILE HB A 18 ILE HA 1.0 1.8 4.82 11 11 A 18 ILE HD1% A 18 ILE HG1x 1.0 1.8 5.57 12 12 A 18 ILE HA A 21 LEU HBx 1.0 1.8 4.43 13 13 A 18 ILE HD1% A 18 ILE HG1y 1.0 1.8 5.22 14 14 A 18 ILE HD1% A 47 GLN HGy 1.0 1.8 4.98 15 15 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.8 5.46 16 16 A 47 GLN HA A 18 ILE HD1% 1.0 1.8 4.98 17 17 A 18 ILE HD1% A 18 ILE HG2% 1.0 1.8 5.56 18 18 A 19 ASP H A 18 ILE HG2% 1.0 1.8 5.32 19 19 A 52 VAL HB A 18 ILE HD1% 1.0 1.8 5.19 20 20 A 44 LEU HA A 18 ILE HD1% 1.0 1.8 5.49 21 21 A 18 ILE HD1% A 54 ILE HD1% 1.0 1.8 5.54 22 22 A 54 ILE HD1% A 18 ILE HG2% 1.0 1.8 6.16 23 23 A 18 ILE HD1% A 47 GLN HBx 1.0 1.8 4.85 24 24 A 18 ILE HD1% A 50 ALA HB% 1.0 1.8 6.28 25 25 A 52 VAL H A 18 ILE HD1% 1.0 1.8 6.32 26 26 A 19 ASP HA A 18 ILE HG2% 1.0 1.8 5.04 27 27 A 47 GLN H A 18 ILE HD1% 1.0 1.8 5.45 28 28 A 19 ASP H A 18 ILE HD1% 1.0 1.8 6.05 29 29 A 18 ILE HA A 18 ILE HG1y 1.0 1.8 4.11 30 30 A 18 ILE HA A 19 ASP H 1.0 1.8 5.00 31 31 A 19 ASP H A 18 ILE HD1% 1.0 1.8 6.50 32 32 A 19 ASP H A 18 ILE HG1x 1.0 1.8 5.50 33 32 A 19 ASP H A 18 ILE HG2% 1.0 1.8 5.50 34 32 A 19 ASP H A 18 ILE HG1y 1.0 1.8 5.50 35 33 A 18 ILE HB A 19 ASP H 1.0 1.8 4.14 36 34 A 19 ASP H A 19 ASP HA 1.0 1.8 3.68 37 35 A 19 ASP H A 19 ASP HBx 1.0 1.8 4.44 38 35 A 19 ASP H A 19 ASP HBy 1.0 1.8 4.44 39 36 A 19 ASP H A 18 ILE HG2% 1.0 1.8 5.75 40 37 A 19 ASP H A 17 ARG HA 1.0 1.8 4.36 41 38 A 19 ASP HA A 22 PHE HBy 1.0 1.8 4.23 42 39 A 19 ASP HA A 20 ILE HA 1.0 1.8 4.78 43 40 A 20 ILE HA A 22 PHE HBy 1.0 1.8 4.55 44 41 A 20 ILE HD1% A 20 ILE HB 1.0 1.8 4.66 45 42 A 20 ILE HB A 20 ILE HG2% 1.0 1.8 4.59 46 43 A 20 ILE HA A 20 ILE HG2% 1.0 1.8 4.75 47 44 A 20 ILE HA A 20 ILE HG2% 1.0 1.8 4.73 48 45 A 20 ILE HA A 20 ILE HB 1.0 1.8 4.31 49 46 A 20 ILE HA A 20 ILE HB 1.0 1.8 4.38 50 47 A 20 ILE HA A 23 SER HBy 1.0 1.8 4.82 51 48 A 20 ILE HB A 20 ILE H 1.0 1.8 4.55 52 49 A 20 ILE HA A 23 SER H 1.0 1.8 4.64 53 50 A 20 ILE HA A 20 ILE H 1.0 1.8 4.56 54 51 A 20 ILE H A 20 ILE HG2% 1.0 1.8 5.42 55 52 A 20 ILE HD1% A 20 ILE H 1.0 1.8 5.54 56 53 A 20 ILE HA A 20 ILE HD1% 1.0 1.8 4.97 57 54 A 20 ILE HA A 20 ILE HG1x 1.0 1.8 4.68 58 54 A 20 ILE HA A 20 ILE HG1y 1.0 1.8 4.68 59 55 A 20 ILE HB A 20 ILE HG1x 1.0 1.8 4.51 60 55 A 20 ILE HB A 20 ILE HG1y 1.0 1.8 4.51 61 56 A 20 ILE HB A 21 LEU H 1.0 1.8 3.88 62 57 A 21 LEU H A 20 ILE HG1x 1.0 1.8 4.51 63 58 A 21 LEU H A 20 ILE HG2% 1.0 1.8 5.30 64 59 A 20 ILE HA A 21 LEU H 1.0 1.8 4.25 65 60 A 21 LEU HA A 21 LEU HD1% 1.0 1.8 4.74 66 61 A 20 ILE HB A 21 LEU HA 1.0 1.8 4.34 67 62 A 21 LEU H A 21 LEU HD1% 1.0 1.8 5.55 68 63 A 22 PHE H A 21 LEU HG 1.0 1.8 4.81 69 64 A 21 LEU HD1% A 22 PHE H 1.0 1.8 5.84 70 65 A 22 PHE HA A 22 PHE HBx 1.0 1.8 4.30 71 66 A 22 PHE HA A 22 PHE HBy 1.0 1.8 3.84 72 67 A 22 PHE H A 22 PHE HA 1.0 1.8 4.67 73 68 A 22 PHE HA A 25 ALA H 1.0 1.8 4.62 74 69 A 22 PHE H A 21 LEU HBx 1.0 1.8 5.50 75 69 A 22 PHE H A 21 LEU HBy 1.0 1.8 5.50 76 70 A 22 PHE HA A 69 PHE HE% 1.0 1.8 5.50 77 71 A 22 PHE HA A 58 TRP HD1 1.0 1.8 5.50 78 72 A 23 SER H A 21 LEU HA 1.0 1.8 4.24 79 73 A 23 SER H A 23 SER HBx 1.0 1.8 4.66 80 73 A 23 SER H A 23 SER HBy 1.0 1.8 4.66 81 74 A 23 SER H A 23 SER HA 1.0 1.8 3.89 82 75 A 23 SER H A 26 GLU H 1.0 1.8 4.76 83 76 A 23 SER H A 23 SER HBy 1.0 1.8 4.61 84 77 A 23 SER H A 22 PHE HBy 1.0 1.8 5.50 85 77 A 23 SER H A 22 PHE HBx 1.0 1.8 5.50 86 78 A 23 SER H A 22 PHE HBy 1.0 1.8 5.50 87 78 A 23 SER H A 22 PHE HBx 1.0 1.8 5.50 88 79 A 24 LEU H A 24 LEU HB3 1.0 1.8 3.91 89 80 A 25 ALA H A 24 LEU H 1.0 1.8 4.17 90 81 A 24 LEU H A 23 SER HBx 1.0 1.8 4.33 91 81 A 23 SER HBy A 24 LEU H 1.0 1.8 4.33 92 82 A 24 LEU H A 24 LEU HA 1.0 1.8 4.06 93 83 A 24 LEU H A 24 LEU HG 1.0 1.8 4.06 94 84 A 24 LEU H A 24 LEU HD1% 1.0 1.8 5.31 95 85 A 23 SER HA A 24 LEU H 1.0 1.8 4.12 96 86 A 23 SER HBy A 24 LEU HG 1.0 1.8 4.59 97 87 A 24 LEU HA A 24 LEU HD2% 1.0 1.8 4.70 98 88 A 24 LEU HA A 24 LEU HG 1.0 1.8 4.27 99 89 A 24 LEU HA A 24 LEU HD2% 1.0 1.8 4.56 100 90 A 24 LEU H A 24 LEU HD1% 1.0 1.8 5.29 101 91 A 24 LEU HB3 A 24 LEU HD1% 1.0 1.8 6.26 102 91 A 24 LEU HD1% A 24 LEU HBx 1.0 1.8 6.26 103 92 A 24 LEU HA A 24 LEU HBx 1.0 1.8 4.77 104 92 A 24 LEU HA A 24 LEU HB3 1.0 1.8 4.77 105 93 A 24 LEU HA A 27 ARG HBx 1.0 1.8 4.67 106 93 A 24 LEU HA A 27 ARG HB3 1.0 1.8 4.67 107 94 A 24 LEU HG A 24 LEU HD1% 1.0 1.8 5.66 108 95 A 24 LEU HA A 27 ARG H 1.0 1.8 4.60 109 96 A 39 TYR HE% A 24 LEU HD2% 1.0 1.8 6.94 110 97 A 24 LEU H A 23 SER HBx 1.0 1.8 5.50 111 97 A 23 SER HBy A 24 LEU H 1.0 1.8 5.50 112 98 A 25 ALA H A 24 LEU H 1.0 1.8 5.00 113 99 A 23 SER HA A 24 LEU H 1.0 1.8 5.00 114 100 A 25 ALA H A 24 LEU H 1.0 1.8 3.98 115 101 A 25 ALA H A 25 ALA HA 1.0 1.8 3.92 116 102 A 25 ALA H A 23 SER HA 1.0 1.8 4.79 117 103 A 25 ALA H A 39 TYR HBx 1.0 1.8 4.73 118 103 A 25 ALA H A 39 TYR HB3 1.0 1.8 4.73 119 104 A 25 ALA H A 24 LEU HG 1.0 1.8 4.26 120 105 A 25 ALA H A 25 ALA HB% 1.0 1.8 5.09 121 106 A 25 ALA H A 24 LEU HD1% 1.0 1.8 5.36 122 107 A 25 ALA H A 36 ALA HB% 1.0 1.8 5.71 123 108 A 25 ALA HA A 36 ALA HB% 1.0 1.8 5.29 124 109 A 25 ALA HA A 36 ALA HA 1.0 1.8 4.31 125 110 A 25 ALA HB% A 36 ALA HA 1.0 1.8 5.47 126 111 A 25 ALA HB% A 40 VAL H 1.0 1.8 5.04 127 112 A 25 ALA HB% A 26 GLU HA 1.0 1.8 5.18 128 113 A 25 ALA HB% A 40 VAL HG2% 1.0 1.8 6.42 129 114 A 25 ALA HB% A 26 GLU HA 1.0 1.8 5.59 130 115 A 22 PHE HA A 25 ALA HB% 1.0 1.8 5.34 131 116 A 25 ALA HA A 25 ALA HB% 1.0 1.8 6.26 132 117 A 25 ALA HA A 25 ALA HB% 1.0 1.8 6.24 133 118 A 25 ALA H A 25 ALA HB% 1.0 1.8 6.39 134 119 A 25 ALA H A 24 LEU HD2% 1.0 1.8 6.50 135 119 A 25 ALA H A 24 LEU HD1% 1.0 1.8 6.50 136 120 A 25 ALA HB% A 69 PHE HA 1.0 1.8 6.50 137 121 A 25 ALA HB% A 29 PHE HBx 1.0 1.8 7.00 138 121 A 25 ALA HB% A 29 PHE HBy 1.0 1.8 7.00 139 122 A 25 ALA HB% A 39 TYR HD% 1.0 1.8 7.00 140 123 A 25 ALA HB% A 29 PHE HD% 1.0 1.8 7.00 141 124 A 26 GLU H A 25 ALA HB% 1.0 1.8 5.47 142 125 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.30 143 126 A 26 GLU HA A 26 GLU HGy 1.0 1.8 4.18 144 127 A 26 GLU HGy A 26 GLU HBy 1.0 1.8 4.20 145 128 A 26 GLU HGy A 71 VAL HG1% 1.0 1.8 5.57 146 129 A 26 GLU HGy A 69 PHE HZ 1.0 1.8 4.95 147 130 A 26 GLU H A 26 GLU HGy 1.0 1.8 4.49 148 131 A 26 GLU H A 26 GLU HBx 1.0 1.8 5.00 149 131 A 26 GLU H A 26 GLU HBy 1.0 1.8 5.00 150 132 A 26 GLU H A 25 ALA HA 1.0 1.8 5.00 151 133 A 26 GLU H A 25 ALA HB% 1.0 1.8 6.50 152 134 A 26 GLU HA A 71 VAL HG2% 1.0 1.8 6.50 153 134 A 26 GLU HA A 71 VAL HG1% 1.0 1.8 6.50 154 135 A 69 PHE HE% A 26 GLU H 1.0 1.8 5.50 155 136 A 27 ARG H A 26 GLU HA 1.0 1.8 3.98 156 137 A 27 ARG H A 28 VAL H 1.0 1.8 4.08 157 138 A 24 LEU HA A 27 ARG H 1.0 1.8 4.05 158 139 A 27 ARG H A 27 ARG HDx 1.0 1.8 4.77 159 139 A 27 ARG H A 27 ARG HD3 1.0 1.8 4.77 160 140 A 27 ARG H A 27 ARG HGx 1.0 1.8 4.09 161 141 A 27 ARG H A 28 VAL HB 1.0 1.8 4.60 162 142 A 27 ARG HA A 31 TYR HBx 1.0 1.8 4.80 163 143 A 27 ARG H A 27 ARG HGy 1.0 1.8 4.66 164 144 A 27 ARG HGy A 27 ARG HDx 1.0 1.8 4.66 165 144 A 27 ARG HD3 A 27 ARG HGy 1.0 1.8 4.66 166 145 A 27 ARG HA A 27 ARG HDx 1.0 1.8 4.79 167 145 A 27 ARG HD3 A 27 ARG HA 1.0 1.8 4.79 168 146 A 27 ARG H A 28 VAL H 1.0 1.8 5.00 169 147 A 28 VAL H A 28 VAL HA 1.0 1.8 4.37 170 148 A 28 VAL H A 29 PHE H 1.0 1.8 4.34 171 149 A 28 VAL H A 28 VAL HB 1.0 1.8 4.34 172 150 A 28 VAL H A 27 ARG HDx 1.0 1.8 5.00 173 150 A 28 VAL H A 27 ARG HD3 1.0 1.8 5.00 174 151 A 28 VAL H A 27 ARG HA 1.0 1.8 4.35 175 152 A 28 VAL H A 27 ARG HGx 1.0 1.8 4.78 176 153 A 28 VAL H A 28 VAL HG1% 1.0 1.8 5.33 177 154 A 27 ARG H A 28 VAL H 1.0 1.8 4.32 178 155 A 28 VAL HA A 28 VAL HG2% 1.0 1.8 4.60 179 156 A 28 VAL HB A 28 VAL HA 1.0 1.8 3.94 180 157 A 28 VAL HA A 28 VAL HG2% 1.0 1.8 4.81 181 158 A 27 ARG HB3 A 28 VAL HA 1.0 1.8 4.15 182 159 A 36 ALA HA A 28 VAL HG1% 1.0 1.8 4.94 183 160 A 36 ALA HB% A 28 VAL HG1% 1.0 1.8 5.78 184 161 A 25 ALA HA A 28 VAL HG1% 1.0 1.8 4.92 185 162 A 27 ARG HB3 A 28 VAL HB 1.0 1.8 3.92 186 163 A 35 LEU HBx A 28 VAL HG2% 1.0 1.8 4.83 187 164 A 35 LEU HD1% A 28 VAL HG2% 1.0 1.8 5.59 188 165 A 28 VAL H A 28 VAL HA 1.0 1.8 4.34 189 166 A 27 ARG HB3 A 28 VAL HG1% 1.0 1.8 5.49 190 167 A 28 VAL HA A 35 LEU HBy 1.0 1.8 4.48 191 168 A 32 SER H A 28 VAL HG2% 1.0 1.8 5.03 192 169 A 28 VAL HA A 35 LEU HD1% 1.0 1.8 5.32 193 170 A 28 VAL HA A 35 LEU HBx 1.0 1.8 4.81 194 171 A 35 LEU H A 28 VAL HG2% 1.0 1.8 5.58 195 172 A 28 VAL HB A 28 VAL HG1% 1.0 1.8 5.88 196 173 A 28 VAL HB A 28 VAL HG2% 1.0 1.8 5.61 197 174 A 39 TYR HE% A 28 VAL HG1% 1.0 1.8 7.10 198 175 A 29 PHE HD% A 28 VAL HG1% 1.0 1.8 7.37 199 176 A 28 VAL H A 27 ARG HA 1.0 1.8 5.00 200 177 A 24 LEU HA A 28 VAL HG2% 1.0 1.8 6.50 201 177 A 24 LEU HA A 28 VAL HG1% 1.0 1.8 6.50 202 178 A 28 VAL HG2% A 35 LEU HD21 1.0 1.8 8.00 203 178 A 28 VAL HG1% A 35 LEU HD21 1.0 1.8 8.00 204 178 A 35 LEU HD1% A 28 VAL HG2% 1.0 1.8 8.00 205 178 A 28 VAL HG1% A 35 LEU HD1% 1.0 1.8 8.00 206 179 A 24 LEU HD2% A 28 VAL HG2% 1.0 1.8 8.00 207 179 A 24 LEU HD1% A 28 VAL HG2% 1.0 1.8 8.00 208 179 A 28 VAL HG1% A 24 LEU HD2% 1.0 1.8 8.00 209 179 A 24 LEU HD1% A 28 VAL HG1% 1.0 1.8 8.00 210 180 A 36 ALA HB% A 28 VAL HG2% 1.0 1.8 8.00 211 180 A 36 ALA HB% A 28 VAL HG1% 1.0 1.8 8.00 212 181 A 28 VAL H A 35 LEU HD21 1.0 1.8 6.50 213 181 A 28 VAL H A 35 LEU HD1% 1.0 1.8 6.50 214 182 A 28 VAL H A 24 LEU HD2% 1.0 1.8 6.50 215 182 A 24 LEU HD1% A 28 VAL H 1.0 1.8 6.50 216 183 A 28 VAL HA A 29 PHE H 1.0 1.8 4.21 217 184 A 28 VAL H A 29 PHE H 1.0 1.8 4.10 218 185 A 28 VAL HB A 29 PHE H 1.0 1.8 4.38 219 186 A 29 PHE H A 30 PRO HG3 1.0 1.8 4.52 220 186 A 29 PHE H A 30 PRO HGx 1.0 1.8 4.52 221 187 A 36 ALA HB% A 29 PHE H 1.0 1.8 5.50 222 188 A 29 PHE HA A 29 PHE HBx 1.0 1.8 4.67 223 189 A 28 VAL HG1% A 29 PHE HA 1.0 1.8 5.23 224 190 A 36 ALA HB% A 29 PHE HA 1.0 1.8 6.58 225 191 A 28 VAL HB A 29 PHE H 1.0 1.8 5.00 226 192 A 29 PHE HA A 28 VAL HG2% 1.0 1.8 6.50 227 192 A 28 VAL HG1% A 29 PHE HA 1.0 1.8 6.50 228 193 A 29 PHE H A 28 VAL HG2% 1.0 1.8 6.50 229 193 A 29 PHE H A 28 VAL HG1% 1.0 1.8 6.50 230 194 A 28 VAL H A 29 PHE H 1.0 1.8 5.00 231 195 A 28 VAL HA A 29 PHE H 1.0 1.8 5.00 232 196 A 36 ALA HB% A 29 PHE H 1.0 1.8 6.50 233 197 A 36 ALA HB% A 29 PHE HA 1.0 1.8 6.50 234 198 A 30 PRO HA A 30 PRO HBx 1.0 1.8 3.92 235 199 A 30 PRO HA A 30 PRO HBy 1.0 1.8 3.94 236 200 A 30 PRO HA A 30 PRO HBy 1.0 1.8 4.24 237 201 A 30 PRO HBy A 30 PRO HG3 1.0 1.8 4.34 238 202 A 30 PRO HA A 30 PRO HBx 1.0 1.8 4.39 239 203 A 30 PRO HBy A 30 PRO HG3 1.0 1.8 3.92 240 204 A 30 PRO HD3 A 30 PRO HG3 1.0 1.8 5.37 241 204 A 30 PRO HDx A 30 PRO HG3 1.0 1.8 5.37 242 204 A 30 PRO HGx A 30 PRO HDx 1.0 1.8 5.37 243 204 A 30 PRO HGx A 30 PRO HD3 1.0 1.8 5.37 244 205 A 30 PRO HA A 30 PRO HG3 1.0 1.8 4.92 245 205 A 30 PRO HGx A 30 PRO HA 1.0 1.8 4.92 246 206 A 30 PRO HBx A 30 PRO HG3 1.0 1.8 4.77 247 206 A 30 PRO HGx A 30 PRO HBx 1.0 1.8 4.77 248 207 A 30 PRO HD3 A 30 PRO HG3 1.0 1.8 5.14 249 207 A 30 PRO HDx A 30 PRO HG3 1.0 1.8 5.14 250 207 A 30 PRO HGx A 30 PRO HDx 1.0 1.8 5.14 251 207 A 30 PRO HGx A 30 PRO HD3 1.0 1.8 5.14 252 208 A 30 PRO HGx A 30 PRO HA 1.0 1.8 3.92 253 209 A 29 PHE HA A 30 PRO HDx 1.0 1.8 4.68 254 209 A 29 PHE HA A 30 PRO HD3 1.0 1.8 4.68 255 210 A 30 PRO HBx A 30 PRO HG3 1.0 1.8 4.86 256 210 A 30 PRO HGx A 30 PRO HBx 1.0 1.8 4.86 257 211 A 30 PRO HBy A 31 TYR H 1.0 1.8 4.24 258 212 A 31 TYR H A 31 TYR HA 1.0 1.8 3.83 259 213 A 31 TYR H A 31 TYR HBy 1.0 1.8 3.85 260 214 A 32 SER H A 31 TYR H 1.0 1.8 3.77 261 215 A 30 PRO HA A 31 TYR H 1.0 1.8 4.20 262 216 A 31 TYR H A 30 PRO HDx 1.0 1.8 4.70 263 216 A 30 PRO HD3 A 31 TYR H 1.0 1.8 4.70 264 217 A 31 TYR H A 30 PRO HG3 1.0 1.8 4.56 265 217 A 30 PRO HGx A 31 TYR H 1.0 1.8 4.56 266 218 A 30 PRO HBx A 31 TYR H 1.0 1.8 4.04 267 219 A 31 TYR H A 74 ILE HG2% 1.0 1.8 5.87 268 220 A 30 PRO HGx A 31 TYR HA 1.0 1.8 4.33 269 221 A 31 TYR HA A 31 TYR HBy 1.0 1.8 3.61 270 222 A 31 TYR HA A 31 TYR HBy 1.0 1.8 3.89 271 223 A 31 TYR HA A 31 TYR HD% 1.0 1.8 4.47 272 224 A 31 TYR HA A 31 TYR HBy 1.0 1.8 4.13 273 224 A 31 TYR HA A 31 TYR HBx 1.0 1.8 4.13 274 225 A 32 SER H A 31 TYR H 1.0 1.8 5.00 275 226 A 31 TYR H A 28 VAL HG2% 1.0 1.8 6.50 276 226 A 28 VAL HG1% A 31 TYR H 1.0 1.8 6.50 277 227 A 32 SER H A 31 TYR HA 1.0 1.8 4.21 278 228 A 32 SER H A 31 TYR H 1.0 1.8 4.05 279 229 A 32 SER H A 32 SER HBy 1.0 1.8 4.24 280 230 A 31 TYR HA A 32 SER HA 1.0 1.8 4.64 281 231 A 32 SER HA A 33 PRO HD3 1.0 1.8 4.44 282 231 A 32 SER HA A 33 PRO HDx 1.0 1.8 4.44 283 232 A 32 SER H A 31 TYR HBy 1.0 1.8 5.50 284 232 A 32 SER H A 31 TYR HBx 1.0 1.8 5.50 285 233 A 33 PRO HA A 33 PRO HBy 1.0 1.8 4.12 286 234 A 36 ALA HB% A 33 PRO HA 1.0 1.8 5.07 287 235 A 75 ASN HBy A 33 PRO HD3 1.0 1.8 4.56 288 236 A 33 PRO HDx A 34 GLU HBx 1.0 1.8 4.74 289 237 A 32 SER H A 33 PRO HG3 1.0 1.8 5.10 290 238 A 33 PRO HA A 33 PRO HG3 1.0 1.8 4.59 291 238 A 33 PRO HA A 33 PRO HGx 1.0 1.8 4.59 292 239 A 29 PHE HD% A 33 PRO HA 1.0 1.8 5.50 293 240 A 33 PRO HA A 29 PHE HE% 1.0 1.8 5.50 294 241 A 34 GLU H A 34 GLU HA 1.0 1.8 4.32 295 242 A 34 GLU H A 34 GLU HG2 1.0 1.8 4.64 296 242 A 34 GLU H A 34 GLU HGy 1.0 1.8 4.64 297 243 A 35 LEU H A 34 GLU H 1.0 1.8 4.40 298 244 A 34 GLU H A 37 LYS HBx 1.0 1.8 4.61 299 245 A 35 LEU H A 34 GLU HGy 1.0 1.8 4.64 300 246 A 34 GLU HA A 34 GLU HG2 1.0 1.8 4.19 301 246 A 34 GLU HA A 34 GLU HGy 1.0 1.8 4.19 302 247 A 35 LEU H A 34 GLU HBx 1.0 1.8 4.51 303 247 A 35 LEU H A 34 GLU HB3 1.0 1.8 4.51 304 248 A 35 LEU H A 34 GLU HG2 1.0 1.8 4.72 305 248 A 35 LEU H A 34 GLU HGy 1.0 1.8 4.72 306 249 A 35 LEU H A 35 LEU HD1% 1.0 1.8 5.47 307 250 A 36 ALA HA A 35 LEU H 1.0 1.8 4.59 308 251 A 35 LEU H A 28 VAL HG2% 1.0 1.8 5.69 309 252 A 35 LEU HD1% A 35 LEU HA 1.0 1.8 4.78 310 253 A 35 LEU HG A 36 ALA H 1.0 1.8 4.85 311 254 A 35 LEU H A 35 LEU HA 1.0 1.8 4.68 312 255 A 28 VAL HB A 35 LEU HD1% 1.0 1.8 5.01 313 256 A 35 LEU HD1% A 31 TYR HBy 1.0 1.8 5.03 314 257 A 35 LEU HD1% A 32 SER HBy 1.0 1.8 5.22 315 258 A 35 LEU HD1% A 35 LEU HG 1.0 1.8 5.44 316 259 A 35 LEU HD1% A 35 LEU HG 1.0 1.8 5.38 317 260 A 36 ALA HA A 36 ALA H 1.0 1.8 3.88 318 261 A 36 ALA H A 37 LYS HB3 1.0 1.8 4.66 319 262 A 25 ALA HA A 36 ALA HB% 1.0 1.8 5.20 320 263 A 36 ALA HB% A 33 PRO HA 1.0 1.8 4.90 321 264 A 25 ALA HA A 36 ALA HA 1.0 1.8 4.28 322 265 A 36 ALA HA A 28 VAL HG1% 1.0 1.8 4.83 323 266 A 36 ALA HB% A 28 VAL HG1% 1.0 1.8 5.50 324 267 A 36 ALA HA A 37 LYS H 1.0 1.8 4.57 325 268 A 36 ALA HB% A 28 VAL HB 1.0 1.8 5.22 326 269 A 36 ALA HB% A 69 PHE HBy 1.0 1.8 5.37 327 270 A 36 ALA HB% A 75 ASN HBy 1.0 1.8 5.85 328 271 A 36 ALA HB% A 36 ALA HA 1.0 1.8 6.28 329 272 A 36 ALA HB% A 36 ALA H 1.0 1.8 6.41 330 273 A 36 ALA HB% A 29 PHE HBy 1.0 1.8 6.64 331 274 A 36 ALA HB% A 69 PHE H 1.0 1.8 6.50 332 275 A 36 ALA HB% A 39 TYR HA 1.0 1.8 6.50 333 276 A 36 ALA HB% A 39 TYR HD% 1.0 1.8 7.00 334 277 A 25 ALA HB% A 36 ALA HB% 1.0 1.8 8.00 335 278 A 25 ALA HB% A 36 ALA H 1.0 1.8 6.50 336 279 A 25 ALA HB% A 36 ALA HA 1.0 1.8 6.50 337 280 A 36 ALA HB% A 29 PHE HBx 1.0 1.8 7.00 338 280 A 36 ALA HB% A 29 PHE HBy 1.0 1.8 7.00 339 281 A 36 ALA HB% A 69 PHE HA 1.0 1.8 6.50 340 282 A 36 ALA HB% A 29 PHE HD% 1.0 1.8 7.00 341 283 A 36 ALA HB% A 29 PHE HD% 1.0 1.8 7.00 342 284 A 37 LYS H A 37 LYS HB3 1.0 1.8 3.79 343 285 A 37 LYS H A 38 ARG H 1.0 1.8 3.94 344 286 A 37 LYS H A 40 VAL HB 1.0 1.8 4.92 345 287 A 37 LYS H A 37 LYS HA 1.0 1.8 3.87 346 288 A 36 ALA HB% A 37 LYS H 1.0 1.8 5.16 347 289 A 37 LYS H A 37 LYS HG3 1.0 1.8 4.54 348 289 A 37 LYS H A 37 LYS HGx 1.0 1.8 4.54 349 290 A 37 LYS HGx A 94 GLU HBy 1.0 1.8 4.42 350 291 A 37 LYS HD2 A 38 ARG HA 1.0 1.8 4.16 351 292 A 37 LYS HDy A 66 CYS HA 1.0 1.8 4.56 352 293 A 40 VAL HB A 37 LYS HA 1.0 1.8 4.27 353 294 A 94 GLU HA A 37 LYS HBx 1.0 1.8 4.44 354 295 A 37 LYS HA A 37 LYS HBx 1.0 1.8 4.58 355 295 A 37 LYS HA A 37 LYS HB3 1.0 1.8 4.58 356 296 A 37 LYS HE3 A 37 LYS HG3 1.0 1.8 4.34 357 296 A 37 LYS HGx A 37 LYS HE3 1.0 1.8 4.34 358 297 A 37 LYS HA A 37 LYS HBx 1.0 1.8 5.08 359 297 A 37 LYS HA A 37 LYS HB3 1.0 1.8 5.08 360 298 A 37 LYS HA A 37 LYS HG3 1.0 1.8 4.64 361 298 A 37 LYS HA A 37 LYS HGx 1.0 1.8 4.64 362 299 A 37 LYS H A 38 ARG H 1.0 1.8 5.00 363 300 A 38 ARG H A 39 TYR H 1.0 1.8 3.80 364 301 A 38 ARG H A 37 LYS HB3 1.0 1.8 4.02 365 302 A 38 ARG H A 38 ARG HBy 1.0 1.8 3.80 366 303 A 38 ARG H A 38 ARG HDx 1.0 1.8 4.56 367 304 A 38 ARG H A 38 ARG HGx 1.0 1.8 4.05 368 304 A 38 ARG H A 38 ARG HG3 1.0 1.8 4.05 369 305 A 40 VAL H A 38 ARG HA 1.0 1.8 4.38 370 306 A 38 ARG HA A 38 ARG HBy 1.0 1.8 3.55 371 307 A 38 ARG HA A 38 ARG HGx 1.0 1.8 4.22 372 307 A 38 ARG HA A 38 ARG HG3 1.0 1.8 4.22 373 308 A 38 ARG HA A 38 ARG HDx 1.0 1.8 4.72 374 308 A 38 ARG HA A 38 ARG HDy 1.0 1.8 4.72 375 309 A 38 ARG H A 37 LYS HA 1.0 1.8 5.00 376 310 A 38 ARG H A 35 LEU HD21 1.0 1.8 6.50 377 310 A 35 LEU HD1% A 38 ARG H 1.0 1.8 6.50 378 311 A 39 TYR H A 38 ARG HBy 1.0 1.8 4.13 379 312 A 38 ARG H A 39 TYR H 1.0 1.8 4.17 380 313 A 39 TYR HA A 39 TYR H 1.0 1.8 4.12 381 314 A 38 ARG HA A 39 TYR H 1.0 1.8 4.10 382 315 A 39 TYR H A 39 TYR HBx 1.0 1.8 4.49 383 315 A 39 TYR HB3 A 39 TYR H 1.0 1.8 4.49 384 316 A 37 LYS HB3 A 39 TYR H 1.0 1.8 4.87 385 317 A 25 ALA HB% A 39 TYR HA 1.0 1.8 6.50 386 318 A 40 VAL H A 41 GLU H 1.0 1.8 4.25 387 319 A 40 VAL H A 40 VAL HB 1.0 1.8 3.83 388 320 A 40 VAL H A 41 GLU HBx 1.0 1.8 4.86 389 321 A 40 VAL H A 39 TYR HBx 1.0 1.8 4.72 390 321 A 39 TYR HB3 A 40 VAL H 1.0 1.8 4.72 391 322 A 25 ALA HA A 40 VAL H 1.0 1.8 4.95 392 323 A 40 VAL H A 38 ARG HA 1.0 1.8 4.75 393 324 A 40 VAL H A 39 TYR HA 1.0 1.8 4.09 394 325 A 40 VAL H A 40 VAL HG2% 1.0 1.8 5.51 395 326 A 40 VAL HA A 40 VAL HG2% 1.0 1.8 5.14 396 327 A 40 VAL H A 40 VAL HG2% 1.0 1.8 5.18 397 328 A 40 VAL HB A 40 VAL HG2% 1.0 1.8 5.62 398 329 A 40 VAL HB A 40 VAL HG1% 1.0 1.8 4.59 399 330 A 68 ALA HA A 40 VAL HG1% 1.0 1.8 4.92 400 331 A 40 VAL HB A 40 VAL HG1% 1.0 1.8 5.49 401 332 A 40 VAL H A 40 VAL HG1% 1.0 1.8 4.90 402 333 A 41 GLU H A 40 VAL HG1% 1.0 1.8 5.59 403 334 A 68 ALA HA A 40 VAL HG2% 1.0 1.8 5.17 404 335 A 69 PHE HA A 40 VAL HG2% 1.0 1.8 5.37 405 336 A 69 PHE HBx A 40 VAL HG2% 1.0 1.8 5.46 406 337 A 41 GLU HBx A 40 VAL HG1% 1.0 1.8 5.45 407 338 A 62 TYR HBy A 40 VAL HG1% 1.0 1.8 5.35 408 339 A 62 TYR HBy A 40 VAL HG2% 1.0 1.8 5.45 409 340 A 68 ALA HB% A 40 VAL HG2% 1.0 1.8 6.76 410 341 A 62 TYR HA A 40 VAL HG2% 1.0 1.8 5.90 411 342 A 41 GLU HA A 40 VAL HG2% 1.0 1.8 5.75 412 343 A 40 VAL HG2% A 67 HIS HB3 1.0 1.8 5.62 413 344 A 41 GLU H A 40 VAL HG2% 1.0 1.8 5.38 414 345 A 67 HIS HA A 40 VAL HG2% 1.0 1.8 5.61 415 346 A 40 VAL HB A 40 VAL HG2% 1.0 1.8 5.63 416 347 A 40 VAL HA A 43 ALA HB% 1.0 1.8 6.46 417 348 A 62 TYR HD% A 40 VAL HG2% 1.0 1.8 7.01 418 349 A 62 TYR H A 40 VAL HG2% 1.0 1.8 6.50 419 349 A 40 VAL HG1% A 62 TYR H 1.0 1.8 6.50 420 350 A 62 TYR HD% A 40 VAL HG2% 1.0 1.8 7.00 421 350 A 62 TYR HD% A 40 VAL HG1% 1.0 1.8 7.00 422 351 A 62 TYR HA A 40 VAL HG2% 1.0 1.8 6.50 423 351 A 62 TYR HA A 40 VAL HG1% 1.0 1.8 6.50 424 352 A 40 VAL HG2% A 44 LEU HD2% 1.0 1.8 8.00 425 352 A 40 VAL HG1% A 44 LEU HD2% 1.0 1.8 8.00 426 352 A 44 LEU HD1% A 40 VAL HG2% 1.0 1.8 8.00 427 352 A 40 VAL HG1% A 44 LEU HD1% 1.0 1.8 8.00 428 353 A 66 CYS H A 40 VAL HG2% 1.0 1.8 6.50 429 353 A 40 VAL HG1% A 66 CYS H 1.0 1.8 6.50 430 354 A 68 ALA HA A 40 VAL HG2% 1.0 1.8 6.50 431 354 A 68 ALA HA A 40 VAL HG1% 1.0 1.8 6.50 432 355 A 62 TYR HE% A 40 VAL HG2% 1.0 1.8 7.00 433 355 A 40 VAL HG1% A 62 TYR HE% 1.0 1.8 7.00 434 356 A 41 GLU H A 40 VAL HG2% 1.0 1.8 6.50 435 356 A 41 GLU H A 40 VAL HG1% 1.0 1.8 6.50 436 357 A 68 ALA HB% A 40 VAL HG2% 1.0 1.8 8.00 437 357 A 40 VAL HG1% A 68 ALA HB% 1.0 1.8 8.00 438 358 A 62 TYR HA A 40 VAL HG2% 1.0 1.8 6.50 439 358 A 62 TYR HA A 40 VAL HG1% 1.0 1.8 6.50 440 359 A 41 GLU H A 41 GLU HB3 1.0 1.8 4.03 441 360 A 40 VAL H A 41 GLU H 1.0 1.8 4.09 442 361 A 40 VAL HB A 41 GLU H 1.0 1.8 3.94 443 362 A 41 GLU H A 41 GLU HBx 1.0 1.8 4.02 444 363 A 41 GLU H A 42 LEU HG 1.0 1.8 4.61 445 364 A 41 GLU H A 40 VAL HG2% 1.0 1.8 5.78 446 365 A 41 GLU H A 43 ALA HB% 1.0 1.8 5.75 447 366 A 40 VAL H A 41 GLU H 1.0 1.8 5.00 448 367 A 41 GLU HA A 44 LEU HD2% 1.0 1.8 6.50 449 367 A 41 GLU HA A 44 LEU HD1% 1.0 1.8 6.50 450 368 A 42 LEU HG A 43 ALA HA 1.0 1.8 4.24 451 369 A 42 LEU HA A 42 LEU H 1.0 1.8 4.35 452 370 A 42 LEU HG A 42 LEU H 1.0 1.8 4.42 453 371 A 43 ALA HA A 42 LEU HD1% 1.0 1.8 5.34 454 372 A 42 LEU H A 42 LEU HD2% 1.0 1.8 4.94 455 373 A 42 LEU HA A 42 LEU HD1% 1.0 1.8 4.62 456 374 A 42 LEU H A 42 LEU HD1% 1.0 1.8 5.29 457 375 A 42 LEU HA A 42 LEU HD2% 1.0 1.8 5.12 458 376 A 42 LEU HA A 42 LEU HD1% 1.0 1.8 4.58 459 377 A 21 LEU HG A 42 LEU HD2% 1.0 1.8 4.78 460 378 A 42 LEU HD2% A 42 LEU HBx 1.0 1.8 6.19 461 378 A 42 LEU HD2% A 42 LEU HB3 1.0 1.8 6.19 462 379 A 39 TYR HE% A 42 LEU HD2% 1.0 1.8 6.71 463 380 A 41 GLU H A 42 LEU H 1.0 1.8 5.00 464 381 A 43 ALA H A 44 LEU H 1.0 1.8 4.13 465 382 A 43 ALA H A 44 LEU HBx 1.0 1.8 4.84 466 383 A 42 LEU HG A 43 ALA H 1.0 1.8 3.84 467 384 A 43 ALA HB% A 43 ALA H 1.0 1.8 5.09 468 385 A 43 ALA H A 42 LEU HD1% 1.0 1.8 5.29 469 386 A 40 VAL HA A 43 ALA H 1.0 1.8 4.13 470 387 A 43 ALA HA A 43 ALA H 1.0 1.8 4.01 471 388 A 42 LEU HA A 43 ALA H 1.0 1.8 4.11 472 389 A 43 ALA H A 44 LEU HD2% 1.0 1.8 5.94 473 390 A 44 LEU HA A 43 ALA HB% 1.0 1.8 5.30 474 391 A 43 ALA HA A 21 LEU HBx 1.0 1.8 4.80 475 392 A 43 ALA HA A 46 VAL HB 1.0 1.8 4.44 476 393 A 43 ALA HA A 42 LEU HD1% 1.0 1.8 5.10 477 394 A 21 LEU HD1% A 43 ALA HB% 1.0 1.8 5.80 478 395 A 43 ALA HB% A 21 LEU HBx 1.0 1.8 5.29 479 396 A 43 ALA HB% A 44 LEU HD1% 1.0 1.8 6.21 480 397 A 21 LEU HG A 43 ALA HB% 1.0 1.8 5.59 481 398 A 43 ALA HB% A 42 LEU HD1% 1.0 1.8 5.79 482 399 A 43 ALA HB% A 43 ALA HA 1.0 1.8 6.32 483 400 A 40 VAL HA A 43 ALA HB% 1.0 1.8 6.00 484 401 A 43 ALA HB% A 43 ALA HA 1.0 1.8 6.17 485 402 A 43 ALA HB% A 43 ALA H 1.0 1.8 6.36 486 403 A 42 LEU HA A 43 ALA H 1.0 1.8 5.00 487 404 A 43 ALA H A 44 LEU H 1.0 1.8 5.00 488 405 A 43 ALA HA A 44 LEU H 1.0 1.8 4.33 489 406 A 44 LEU H A 45 LEU H 1.0 1.8 4.00 490 407 A 44 LEU H A 44 LEU HBx 1.0 1.8 4.02 491 408 A 44 LEU HA A 44 LEU H 1.0 1.8 4.11 492 409 A 44 LEU H A 45 LEU HBy 1.0 1.8 4.64 493 410 A 44 LEU H A 44 LEU HBy 1.0 1.8 3.71 494 411 A 43 ALA HB% A 44 LEU H 1.0 1.8 5.45 495 412 A 44 LEU HD1% A 44 LEU H 1.0 1.8 5.41 496 413 A 44 LEU H A 44 LEU HD2% 1.0 1.8 5.47 497 414 A 44 LEU H A 42 LEU HD1% 1.0 1.8 5.61 498 415 A 44 LEU HBx A 44 LEU HD2% 1.0 1.8 5.01 499 416 A 44 LEU HD1% A 44 LEU HBx 1.0 1.8 4.70 500 417 A 44 LEU HA A 44 LEU HD1% 1.0 1.8 4.53 501 418 A 44 LEU HA A 44 LEU HD2% 1.0 1.8 5.31 502 419 A 44 LEU HG A 44 LEU HD2% 1.0 1.8 4.77 503 420 A 44 LEU HA A 47 GLN HBx 1.0 1.8 3.89 504 421 A 44 LEU HA A 44 LEU HD1% 1.0 1.8 4.89 505 422 A 44 LEU HA A 44 LEU HD2% 1.0 1.8 5.52 506 423 A 44 LEU HD1% A 47 GLN HE22 1.0 1.8 5.79 507 424 A 44 LEU HD2% A 67 HIS HB3 1.0 1.8 5.62 508 425 A 44 LEU HA A 46 VAL HB 1.0 1.8 4.48 509 426 A 44 LEU HD1% A 58 TRP HBy 1.0 1.8 5.53 510 427 A 43 ALA HB% A 44 LEU HD2% 1.0 1.8 6.44 511 428 A 43 ALA HB% A 44 LEU HD1% 1.0 1.8 5.98 512 429 A 43 ALA HB% A 44 LEU HD1% 1.0 1.8 6.09 513 430 A 44 LEU HD2% A 58 TRP HBy 1.0 1.8 5.44 514 431 A 44 LEU H A 44 LEU HD2% 1.0 1.8 5.52 515 432 A 45 LEU H A 44 LEU HD2% 1.0 1.8 6.16 516 433 A 58 TRP HZ3 A 44 LEU HD2% 1.0 1.8 6.05 517 434 A 44 LEU H A 44 LEU HD2% 1.0 1.8 5.51 518 435 A 44 LEU HD1% A 44 LEU H 1.0 1.8 5.26 519 436 A 44 LEU HD1% A 44 LEU HG 1.0 1.8 5.49 520 437 A 44 LEU HD1% A 62 TYR HE% 1.0 1.8 6.61 521 438 A 62 TYR HD% A 44 LEU HD2% 1.0 1.8 7.08 522 439 A 43 ALA HA A 44 LEU H 1.0 1.8 5.00 523 440 A 43 ALA H A 44 LEU HD2% 1.0 1.8 6.50 524 440 A 44 LEU HD1% A 43 ALA H 1.0 1.8 6.50 525 441 A 47 GLN HE21 A 44 LEU HD2% 1.0 1.8 7.00 526 441 A 44 LEU HD1% A 47 GLN HE21 1.0 1.8 7.00 527 441 A 47 GLN HE22 A 44 LEU HD2% 1.0 1.8 7.00 528 441 A 44 LEU HD1% A 47 GLN HE22 1.0 1.8 7.00 529 442 A 45 LEU H A 45 LEU HBy 1.0 1.8 3.58 530 443 A 46 VAL HB A 45 LEU H 1.0 1.8 4.27 531 444 A 44 LEU HBx A 45 LEU H 1.0 1.8 4.13 532 445 A 45 LEU H A 45 LEU HD2% 1.0 1.8 5.18 533 446 A 44 LEU HD1% A 45 LEU H 1.0 1.8 5.74 534 447 A 45 LEU HA A 48 GLN HBy 1.0 1.8 4.40 535 448 A 45 LEU HD1% A 45 LEU HBx 1.0 1.8 4.70 536 449 A 45 LEU HD2% A 45 LEU HA 1.0 1.8 4.83 537 450 A 45 LEU HD1% A 48 GLN HE22 1.0 1.8 5.60 538 451 A 45 LEU HA A 45 LEU HG 1.0 1.8 3.72 539 452 A 45 LEU H A 46 VAL H 1.0 1.8 5.00 540 453 A 44 LEU H A 45 LEU H 1.0 1.8 5.00 541 454 A 45 LEU H A 46 VAL H 1.0 1.8 4.15 542 455 A 46 VAL H A 46 VAL HA 1.0 1.8 4.16 543 456 A 45 LEU HBy A 46 VAL H 1.0 1.8 3.91 544 457 A 45 LEU HA A 46 VAL H 1.0 1.8 4.26 545 458 A 47 GLN H A 46 VAL H 1.0 1.8 4.14 546 459 A 46 VAL HB A 46 VAL H 1.0 1.8 3.97 547 460 A 46 VAL H A 46 VAL HG1% 1.0 1.8 5.15 548 461 A 46 VAL HB A 46 VAL HA 1.0 1.8 4.27 549 462 A 46 VAL HA A 46 VAL HG1% 1.0 1.8 4.63 550 463 A 46 VAL HA A 46 VAL HG1% 1.0 1.8 4.80 551 464 A 46 VAL H A 46 VAL HG1% 1.0 1.8 4.80 552 465 A 46 VAL HB A 46 VAL H 1.0 1.8 4.68 553 466 A 18 ILE HG1y A 46 VAL HG1% 1.0 1.8 5.37 554 467 A 46 VAL HG1% A 21 LEU HBx 1.0 1.8 5.28 555 468 A 46 VAL H A 46 VAL HA 1.0 1.8 4.27 556 469 A 46 VAL HB A 46 VAL HA 1.0 1.8 4.57 557 470 A 45 LEU HA A 46 VAL H 1.0 1.8 5.00 558 471 A 47 GLN H A 46 VAL H 1.0 1.8 5.00 559 472 A 47 GLN H A 46 VAL HA 1.0 1.8 4.26 560 473 A 47 GLN HA A 47 GLN H 1.0 1.8 3.95 561 474 A 47 GLN H A 47 GLN HB3 1.0 1.8 3.74 562 475 A 47 GLN H A 45 LEU HA 1.0 1.8 4.04 563 476 A 47 GLN H A 48 GLN HGy 1.0 1.8 4.56 564 477 A 47 GLN H A 47 GLN HGy 1.0 1.8 4.56 565 477 A 47 GLN H A 47 GLN HGx 1.0 1.8 4.56 566 478 A 47 GLN H A 46 VAL HB 1.0 1.8 3.95 567 479 A 47 GLN H A 45 LEU H 1.0 1.8 4.44 568 480 A 47 GLN HE22 A 47 GLN HGy 1.0 1.8 4.77 569 480 A 47 GLN HE22 A 47 GLN HGx 1.0 1.8 4.77 570 481 A 47 GLN HE21 A 47 GLN HGy 1.0 1.8 4.64 571 481 A 47 GLN HGx A 47 GLN HE21 1.0 1.8 4.64 572 482 A 47 GLN HE22 A 57 LYS HBx 1.0 1.8 4.91 573 483 A 47 GLN HE21 A 57 LYS HBx 1.0 1.8 4.85 574 484 A 47 GLN HA A 52 VAL HG2% 1.0 1.8 4.86 575 485 A 47 GLN HA A 50 ALA HB% 1.0 1.8 5.40 576 486 A 47 GLN HGx A 48 GLN HA 1.0 1.8 4.70 577 487 A 47 GLN HA A 47 GLN H 1.0 1.8 4.56 578 488 A 18 ILE HG2% A 47 GLN HGy 1.0 1.8 5.90 579 489 A 18 ILE HG1x A 47 GLN HGy 1.0 1.8 4.98 580 490 A 47 GLN HA A 47 GLN HB3 1.0 1.8 4.44 581 490 A 47 GLN HA A 47 GLN HBx 1.0 1.8 4.44 582 491 A 47 GLN HA A 47 GLN HB3 1.0 1.8 4.63 583 491 A 47 GLN HA A 47 GLN HBx 1.0 1.8 4.63 584 492 A 47 GLN HA A 47 GLN HGy 1.0 1.8 4.42 585 492 A 47 GLN HA A 47 GLN HGx 1.0 1.8 4.42 586 493 A 47 GLN HB3 A 47 GLN HGy 1.0 1.8 4.91 587 493 A 47 GLN HBx A 47 GLN HGy 1.0 1.8 4.91 588 493 A 47 GLN HGx A 47 GLN HB3 1.0 1.8 4.91 589 493 A 47 GLN HGx A 47 GLN HBx 1.0 1.8 4.91 590 494 A 47 GLN HA A 47 GLN HGy 1.0 1.8 4.47 591 494 A 47 GLN HA A 47 GLN HGx 1.0 1.8 4.47 592 495 A 47 GLN HGx A 52 VAL HG2% 1.0 1.8 6.28 593 495 A 47 GLN HGy A 52 VAL HG2% 1.0 1.8 6.28 594 496 A 47 GLN H A 47 GLN HGy 1.0 1.8 5.04 595 496 A 47 GLN H A 47 GLN HGx 1.0 1.8 5.04 596 497 A 48 GLN H A 47 GLN HGy 1.0 1.8 5.04 597 497 A 47 GLN HGx A 48 GLN H 1.0 1.8 5.04 598 498 A 47 GLN H A 46 VAL HA 1.0 1.8 5.00 599 499 A 47 GLN H A 45 LEU HA 1.0 1.8 5.00 600 500 A 47 GLN H A 52 VAL HG2% 1.0 1.8 6.50 601 500 A 47 GLN H A 52 VAL HG1% 1.0 1.8 6.50 602 501 A 47 GLN HA A 18 ILE HD1% 1.0 1.8 6.50 603 502 A 48 GLN HA A 48 GLN H 1.0 1.8 4.14 604 503 A 48 GLN H A 48 GLN HBy 1.0 1.8 3.92 605 504 A 47 GLN H A 48 GLN H 1.0 1.8 4.35 606 505 A 48 GLN HGy A 48 GLN H 1.0 1.8 4.14 607 506 A 48 GLN HA A 48 GLN HGx 1.0 1.8 3.96 608 507 A 48 GLN HGy A 48 GLN HA 1.0 1.8 3.99 609 508 A 48 GLN HGy A 49 LYS H 1.0 1.8 4.31 610 509 A 48 GLN HGy A 49 LYS HBx 1.0 1.8 4.60 611 510 A 48 GLN HGy A 48 GLN HA 1.0 1.8 4.12 612 511 A 48 GLN HGy A 49 LYS HA 1.0 1.8 4.34 613 512 A 48 GLN H A 48 GLN HBy 1.0 1.8 4.29 614 513 A 48 GLN HGy A 49 LYS HD3 1.0 1.8 4.54 615 514 A 47 GLN HB3 A 48 GLN HBy 1.0 1.8 4.08 616 515 A 48 GLN HA A 51 LYS HGx 1.0 1.8 5.01 617 516 A 48 GLN HGx A 49 LYS HD3 1.0 1.8 5.01 618 517 A 48 GLN HA A 48 GLN HBy 1.0 1.8 4.14 619 517 A 48 GLN HA A 48 GLN HBx 1.0 1.8 4.14 620 518 A 48 GLN HGx A 48 GLN HBy 1.0 1.8 4.08 621 518 A 48 GLN HGx A 48 GLN HBx 1.0 1.8 4.08 622 519 A 48 GLN HGy A 48 GLN HBy 1.0 1.8 4.13 623 519 A 48 GLN HGy A 48 GLN HBx 1.0 1.8 4.13 624 520 A 48 GLN HA A 48 GLN HBy 1.0 1.8 4.46 625 520 A 48 GLN HA A 48 GLN HBx 1.0 1.8 4.46 626 521 A 48 GLN HA A 48 GLN HGx 1.0 1.8 3.90 627 522 A 48 GLN HA A 48 GLN H 1.0 1.8 4.20 628 523 A 47 GLN H A 48 GLN H 1.0 1.8 5.00 629 524 A 49 LYS H A 48 GLN HBy 1.0 1.8 4.24 630 525 A 49 LYS H A 49 LYS HA 1.0 1.8 4.63 631 526 A 49 LYS H A 49 LYS HB3 1.0 1.8 4.02 632 527 A 49 LYS H A 49 LYS HGx 1.0 1.8 4.20 633 528 A 48 GLN HGx A 49 LYS HA 1.0 1.8 4.69 634 529 A 48 GLN HGy A 49 LYS HA 1.0 1.8 4.46 635 530 A 49 LYS H A 49 LYS HBx 1.0 1.8 4.61 636 531 A 49 LYS HB3 A 50 ALA HB% 1.0 1.8 4.57 637 532 A 49 LYS HA A 49 LYS HBx 1.0 1.8 3.94 638 532 A 49 LYS HA A 49 LYS HB3 1.0 1.8 3.94 639 533 A 49 LYS H A 49 LYS HA 1.0 1.8 4.12 640 534 A 49 LYS HBx A 49 LYS HD3 1.0 1.8 4.86 641 534 A 49 LYS HB3 A 49 LYS HD3 1.0 1.8 4.86 642 534 A 49 LYS HDx A 49 LYS HBx 1.0 1.8 4.86 643 534 A 49 LYS HB3 A 49 LYS HDx 1.0 1.8 4.86 644 535 A 49 LYS HB3 A 50 ALA HA 1.0 1.8 4.42 645 536 A 47 GLN HA A 50 ALA HB% 1.0 1.8 5.34 646 537 A 52 VAL H A 50 ALA HB% 1.0 1.8 5.32 647 538 A 49 LYS HB3 A 50 ALA HB% 1.0 1.8 5.03 648 539 A 52 VAL HA A 50 ALA HB% 1.0 1.8 5.50 649 540 A 52 VAL HG1% A 50 ALA HB% 1.0 1.8 5.44 650 541 A 52 VAL HB A 50 ALA HB% 1.0 1.8 5.35 651 542 A 49 LYS H A 50 ALA HB% 1.0 1.8 5.10 652 543 A 50 ALA HA A 50 ALA HB% 1.0 1.8 6.05 653 544 A 50 ALA HA A 50 ALA HB% 1.0 1.8 6.03 654 545 A 50 ALA HA A 50 ALA HB% 1.0 1.8 6.34 655 546 A 52 VAL HB A 50 ALA HB% 1.0 1.8 6.50 656 547 A 50 ALA HB% A 52 VAL HG2% 1.0 1.8 8.00 657 547 A 52 VAL HG1% A 50 ALA HB% 1.0 1.8 8.00 658 548 A 48 GLN HA A 51 LYS HBx 1.0 1.8 4.55 659 549 A 51 LYS HA A 51 LYS HDx 1.0 1.8 4.36 660 550 A 51 LYS HA A 51 LYS HDx 1.0 1.8 4.11 661 551 A 51 LYS H A 51 LYS HG3 1.0 1.8 4.57 662 552 A 51 LYS HA A 52 VAL HG2% 1.0 1.8 5.37 663 553 A 51 LYS HGx A 51 LYS HBx 1.0 1.8 4.56 664 553 A 51 LYS HBx A 51 LYS HG3 1.0 1.8 4.56 665 554 A 51 LYS HA A 51 LYS HG3 1.0 1.8 4.72 666 554 A 51 LYS HA A 51 LYS HGx 1.0 1.8 4.72 667 555 A 52 VAL H A 51 LYS H 1.0 1.8 5.00 668 556 A 51 LYS HGx A 52 VAL HG2% 1.0 1.8 7.00 669 556 A 51 LYS HG3 A 52 VAL HG2% 1.0 1.8 7.00 670 556 A 52 VAL HG1% A 51 LYS HG3 1.0 1.8 7.00 671 556 A 52 VAL HG1% A 51 LYS HGx 1.0 1.8 7.00 672 557 A 52 VAL H A 48 GLN HA 1.0 1.8 4.25 673 558 A 52 VAL H A 51 LYS H 1.0 1.8 4.37 674 559 A 52 VAL H A 52 VAL HA 1.0 1.8 3.90 675 560 A 52 VAL HB A 52 VAL H 1.0 1.8 3.91 676 561 A 52 VAL HB A 52 VAL HG1% 1.0 1.8 5.06 677 562 A 52 VAL HB A 52 VAL HG2% 1.0 1.8 5.01 678 563 A 50 ALA HB% A 52 VAL HG2% 1.0 1.8 5.49 679 564 A 47 GLN HA A 52 VAL HG2% 1.0 1.8 4.83 680 565 A 52 VAL HB A 52 VAL HG2% 1.0 1.8 4.57 681 566 A 52 VAL HB A 52 VAL HG1% 1.0 1.8 4.47 682 567 A 52 VAL HG1% A 52 VAL HA 1.0 1.8 5.33 683 568 A 52 VAL H A 52 VAL HG2% 1.0 1.8 4.89 684 569 A 52 VAL H A 52 VAL HG1% 1.0 1.8 5.17 685 570 A 52 VAL HA A 52 VAL HG2% 1.0 1.8 4.91 686 571 A 52 VAL HB A 52 VAL HA 1.0 1.8 4.22 687 572 A 52 VAL H A 52 VAL HG1% 1.0 1.8 5.14 688 573 A 52 VAL HB A 52 VAL H 1.0 1.8 4.65 689 574 A 52 VAL HG1% A 53 LYS H 1.0 1.8 5.41 690 575 A 51 LYS HA A 52 VAL HG2% 1.0 1.8 5.00 691 576 A 50 ALA HA A 52 VAL HG2% 1.0 1.8 5.89 692 577 A 18 ILE HB A 52 VAL HG2% 1.0 1.8 5.65 693 578 A 52 VAL HG1% A 50 ALA HA 1.0 1.8 5.84 694 579 A 50 ALA H A 52 VAL HG2% 1.0 1.8 5.45 695 580 A 47 GLN HGx A 52 VAL HG2% 1.0 1.8 6.26 696 580 A 47 GLN HGy A 52 VAL HG2% 1.0 1.8 6.26 697 581 A 47 GLN HB3 A 52 VAL HG2% 1.0 1.8 6.40 698 581 A 47 GLN HBx A 52 VAL HG2% 1.0 1.8 6.40 699 582 A 52 VAL H A 51 LYS HG3 1.0 1.8 5.50 700 582 A 52 VAL H A 51 LYS HGx 1.0 1.8 5.50 701 583 A 52 VAL H A 51 LYS HA 1.0 1.8 5.00 702 584 A 50 ALA H A 52 VAL HG2% 1.0 1.8 6.50 703 584 A 52 VAL HG1% A 50 ALA H 1.0 1.8 6.50 704 585 A 52 VAL H A 51 LYS HBx 1.0 1.8 5.50 705 585 A 52 VAL H A 51 LYS HBy 1.0 1.8 5.50 706 586 A 47 GLN HGx A 52 VAL HG2% 1.0 1.8 7.00 707 586 A 47 GLN HGy A 52 VAL HG2% 1.0 1.8 7.00 708 586 A 52 VAL HG1% A 47 GLN HGy 1.0 1.8 7.00 709 586 A 47 GLN HGx A 52 VAL HG1% 1.0 1.8 7.00 710 587 A 47 GLN HA A 52 VAL HG2% 1.0 1.8 6.50 711 587 A 47 GLN HA A 52 VAL HG1% 1.0 1.8 6.50 712 588 A 52 VAL H A 47 GLN HGy 1.0 1.8 5.50 713 588 A 52 VAL H A 47 GLN HGx 1.0 1.8 5.50 714 589 A 48 GLN HA A 52 VAL HG2% 1.0 1.8 6.50 715 589 A 48 GLN HA A 52 VAL HG1% 1.0 1.8 6.50 716 590 A 47 GLN HGx A 53 LYS HA 1.0 1.8 4.99 717 591 A 53 LYS HA A 53 LYS HB2 1.0 1.8 4.35 718 591 A 53 LYS HA A 53 LYS HBy 1.0 1.8 4.35 719 592 A 53 LYS HA A 54 ILE H 1.0 1.8 4.33 720 593 A 54 ILE H A 54 ILE HB 1.0 1.8 4.19 721 594 A 53 LYS HBy A 54 ILE H 1.0 1.8 4.42 722 595 A 54 ILE H A 54 ILE HG1y 1.0 1.8 4.25 723 596 A 54 ILE H A 54 ILE HD1% 1.0 1.8 5.69 724 597 A 54 ILE HB A 54 ILE HD1% 1.0 1.8 4.66 725 598 A 54 ILE HB A 54 ILE HG2% 1.0 1.8 4.64 726 599 A 54 ILE HA A 54 ILE HG2% 1.0 1.8 4.57 727 600 A 58 TRP HBx A 54 ILE HG1x 1.0 1.8 4.46 728 601 A 54 ILE HA A 54 ILE HG1x 1.0 1.8 4.31 729 602 A 54 ILE HB A 54 ILE HD1% 1.0 1.8 4.73 730 603 A 47 GLN HE22 A 54 ILE HD1% 1.0 1.8 5.14 731 604 A 52 VAL HB A 54 ILE HG1x 1.0 1.8 4.88 732 605 A 47 GLN HE21 A 54 ILE HG2% 1.0 1.8 4.93 733 606 A 54 ILE HA A 54 ILE HD1% 1.0 1.8 5.59 734 607 A 54 ILE HD1% A 47 GLN HGy 1.0 1.8 4.80 735 608 A 52 VAL H A 54 ILE HD1% 1.0 1.8 5.45 736 609 A 54 ILE HD1% A 18 ILE HG1x 1.0 1.8 5.21 737 610 A 54 ILE HD1% A 59 LYS HBx 1.0 1.8 5.13 738 611 A 54 ILE HG2% A 57 LYS HBx 1.0 1.8 4.89 739 612 A 58 TRP H A 54 ILE HG2% 1.0 1.8 5.36 740 613 A 54 ILE H A 54 ILE HD1% 1.0 1.8 5.64 741 614 A 54 ILE HB A 54 ILE HG2% 1.0 1.8 6.05 742 615 A 47 GLN HE22 A 54 ILE HG2% 1.0 1.8 6.00 743 615 A 47 GLN HE21 A 54 ILE HG1y 1.0 1.8 6.00 744 615 A 47 GLN HE21 A 54 ILE HG1x 1.0 1.8 6.00 745 615 A 47 GLN HE22 A 54 ILE HG1x 1.0 1.8 6.00 746 615 A 47 GLN HE22 A 54 ILE HG1y 1.0 1.8 6.00 747 615 A 47 GLN HE21 A 54 ILE HG2% 1.0 1.8 6.00 748 616 A 44 LEU HD2% A 54 ILE HG1x 1.0 1.8 7.00 749 616 A 44 LEU HD1% A 54 ILE HG1y 1.0 1.8 7.00 750 616 A 44 LEU HD1% A 54 ILE HG2% 1.0 1.8 7.00 751 616 A 54 ILE HG1y A 44 LEU HD2% 1.0 1.8 7.00 752 616 A 54 ILE HG2% A 44 LEU HD2% 1.0 1.8 7.00 753 616 A 44 LEU HD1% A 54 ILE HG1x 1.0 1.8 7.00 754 617 A 44 LEU HD1% A 54 ILE HG1y 1.0 1.8 7.00 755 617 A 54 ILE HG1y A 44 LEU HD2% 1.0 1.8 7.00 756 617 A 44 LEU HD1% A 54 ILE HG2% 1.0 1.8 7.00 757 617 A 44 LEU HD1% A 54 ILE HG1x 1.0 1.8 7.00 758 617 A 54 ILE HG2% A 44 LEU HD2% 1.0 1.8 7.00 759 617 A 44 LEU HD2% A 54 ILE HG1x 1.0 1.8 7.00 760 618 A 54 ILE HD1% A 44 LEU HD2% 1.0 1.8 8.00 761 618 A 44 LEU HD1% A 54 ILE HD1% 1.0 1.8 8.00 762 619 A 47 GLN HA A 54 ILE HD1% 1.0 1.8 6.50 763 620 A 54 ILE HD1% A 44 LEU HD2% 1.0 1.8 8.00 764 620 A 44 LEU HD1% A 54 ILE HD1% 1.0 1.8 8.00 765 621 A 57 LYS HDx A 57 LYS HGy 1.0 1.8 4.32 766 622 A 57 LYS HDx A 57 LYS HGx 1.0 1.8 4.42 767 623 A 57 LYS HA A 57 LYS HBy 1.0 1.8 3.83 768 624 A 57 LYS HA A 57 LYS HGx 1.0 1.8 4.07 769 625 A 57 LYS HA A 57 LYS HDy 1.0 1.8 4.26 770 626 A 57 LYS HA A 57 LYS HBx 1.0 1.8 3.82 771 627 A 57 LYS HA A 57 LYS HGx 1.0 1.8 4.52 772 628 A 57 LYS HEx A 57 LYS HGy 1.0 1.8 4.85 773 629 A 57 LYS HA A 57 LYS HBx 1.0 1.8 4.30 774 630 A 57 LYS HGx A 57 LYS HBy 1.0 1.8 4.42 775 631 A 57 LYS HA A 57 LYS HBy 1.0 1.8 4.27 776 632 A 57 LYS HA A 57 LYS HDy 1.0 1.8 4.39 777 633 A 57 LYS HEy A 57 LYS HBy 1.0 1.8 4.47 778 634 A 57 LYS HBx A 57 LYS HGy 1.0 1.8 4.43 779 635 A 57 LYS HBy A 57 LYS HDy 1.0 1.8 4.45 780 636 A 58 TRP HBx A 57 LYS HBy 1.0 1.8 4.29 781 637 A 57 LYS HA A 60 ARG HB2 1.0 1.8 4.83 782 638 A 57 LYS HEy A 57 LYS HDy 1.0 1.8 4.51 783 639 A 57 LYS HEx A 57 LYS HDy 1.0 1.8 4.56 784 640 A 57 LYS HBx A 57 LYS HDy 1.0 1.8 4.15 785 641 A 19 ASP HA A 57 LYS HDx 1.0 1.8 4.71 786 642 A 57 LYS HDx A 57 LYS HBx 1.0 1.8 4.99 787 642 A 57 LYS HBx A 57 LYS HDy 1.0 1.8 4.99 788 643 A 57 LYS HGx A 57 LYS HDy 1.0 1.8 5.02 789 643 A 57 LYS HDy A 57 LYS HGy 1.0 1.8 5.02 790 644 A 58 TRP H A 59 LYS HA 1.0 1.8 4.89 791 645 A 58 TRP H A 57 LYS HA 1.0 1.8 4.28 792 646 A 58 TRP H A 59 LYS HBx 1.0 1.8 3.97 793 647 A 58 TRP H A 57 LYS HGy 1.0 1.8 4.87 794 648 A 58 TRP H A 54 ILE HG1y 1.0 1.8 4.78 795 649 A 58 TRP H A 54 ILE HD1% 1.0 1.8 5.55 796 650 A 58 TRP HA A 61 ARG HBy 1.0 1.8 4.62 797 651 A 58 TRP HA A 59 LYS H 1.0 1.8 4.16 798 652 A 58 TRP HA A 58 TRP HBy 1.0 1.8 4.55 799 652 A 58 TRP HA A 58 TRP HBx 1.0 1.8 4.55 800 653 A 58 TRP H A 57 LYS HGy 1.0 1.8 5.50 801 653 A 58 TRP H A 57 LYS HGx 1.0 1.8 5.50 802 654 A 58 TRP H A 57 LYS HBx 1.0 1.8 5.50 803 654 A 58 TRP H A 57 LYS HBy 1.0 1.8 5.50 804 655 A 58 TRP H A 57 LYS HA 1.0 1.8 5.00 805 656 A 58 TRP H A 57 LYS HBx 1.0 1.8 5.50 806 656 A 58 TRP H A 57 LYS HBy 1.0 1.8 5.50 807 657 A 59 LYS HA A 59 LYS H 1.0 1.8 4.00 808 658 A 59 LYS H A 60 ARG HA 1.0 1.8 4.38 809 659 A 59 LYS H A 59 LYS HBx 1.0 1.8 3.65 810 660 A 59 LYS H A 60 ARG HGy 1.0 1.8 4.01 811 661 A 54 ILE HD1% A 59 LYS H 1.0 1.8 6.20 812 662 A 62 TYR H A 59 LYS H 1.0 1.8 4.92 813 663 A 59 LYS HA A 60 ARG HGy 1.0 1.8 4.67 814 664 A 59 LYS HA A 59 LYS H 1.0 1.8 4.42 815 665 A 58 TRP H A 59 LYS HBx 1.0 1.8 4.60 816 666 A 59 LYS HA A 59 LYS HBx 1.0 1.8 4.37 817 666 A 59 LYS HA A 59 LYS HBy 1.0 1.8 4.37 818 667 A 57 LYS HA A 59 LYS H 1.0 1.8 5.00 819 668 A 60 ARG HA A 60 ARG HGx 1.0 1.8 4.25 820 669 A 60 ARG HA A 60 ARG HGy 1.0 1.8 4.05 821 670 A 60 ARG HA A 60 ARG HGy 1.0 1.8 3.94 822 671 A 57 LYS HA A 60 ARG HB2 1.0 1.8 4.57 823 672 A 60 ARG HGx A 60 ARG HDx 1.0 1.8 4.79 824 672 A 60 ARG HGx A 60 ARG HD3 1.0 1.8 4.79 825 673 A 60 ARG HGy A 60 ARG HDx 1.0 1.8 4.33 826 673 A 60 ARG HGy A 60 ARG HD3 1.0 1.8 4.33 827 674 A 61 ARG H A 61 ARG HA 1.0 1.8 4.58 828 675 A 62 TYR H A 61 ARG H 1.0 1.8 3.91 829 676 A 62 TYR HBy A 61 ARG H 1.0 1.8 4.87 830 677 A 60 ARG HA A 61 ARG H 1.0 1.8 3.67 831 678 A 61 ARG H A 61 ARG HGy 1.0 1.8 4.16 832 679 A 61 ARG HA A 70 LEU HG 1.0 1.8 4.74 833 680 A 61 ARG HA A 61 ARG HBy 1.0 1.8 4.21 834 681 A 61 ARG HA A 61 ARG HBx 1.0 1.8 4.21 835 682 A 61 ARG HA A 70 LEU HBx 1.0 1.8 5.11 836 682 A 61 ARG HA A 70 LEU HB3 1.0 1.8 5.11 837 683 A 62 TYR H A 61 ARG H 1.0 1.8 5.00 838 684 A 61 ARG H A 59 LYS HGx 1.0 1.8 5.50 839 684 A 61 ARG H A 59 LYS HG3 1.0 1.8 5.50 840 685 A 62 TYR H A 61 ARG H 1.0 1.8 3.90 841 686 A 62 TYR HA A 62 TYR H 1.0 1.8 4.27 842 687 A 62 TYR H A 63 CYS H 1.0 1.8 4.36 843 688 A 62 TYR H A 61 ARG HA 1.0 1.8 3.93 844 689 A 62 TYR H A 60 ARG HA 1.0 1.8 3.81 845 690 A 62 TYR HBy A 62 TYR H 1.0 1.8 3.97 846 691 A 62 TYR H A 61 ARG HGy 1.0 1.8 4.64 847 692 A 62 TYR H A 70 LEU HD2% 1.0 1.8 5.48 848 693 A 62 TYR H A 58 TRP HZ3 1.0 1.8 4.48 849 694 A 62 TYR HA A 62 TYR HBx 1.0 1.8 4.44 850 695 A 62 TYR HA A 62 TYR HBx 1.0 1.8 4.77 851 696 A 62 TYR HBy A 62 TYR HA 1.0 1.8 4.61 852 697 A 62 TYR HA A 70 LEU HBx 1.0 1.8 4.71 853 698 A 62 TYR HA A 63 CYS H 1.0 1.8 4.67 854 699 A 62 TYR HA A 70 LEU HG 1.0 1.8 4.91 855 700 A 62 TYR HA A 40 VAL HG1% 1.0 1.8 6.05 856 701 A 62 TYR HA A 62 TYR HD% 1.0 1.8 5.10 857 702 A 62 TYR H A 61 ARG HA 1.0 1.8 5.00 858 703 A 62 TYR H A 44 LEU HD2% 1.0 1.8 6.50 859 703 A 62 TYR H A 44 LEU HD1% 1.0 1.8 6.50 860 704 A 62 TYR H A 61 ARG HBx 1.0 1.8 5.50 861 704 A 62 TYR H A 61 ARG HBy 1.0 1.8 5.50 862 705 A 62 TYR HA A 63 CYS H 1.0 1.8 4.54 863 706 A 62 TYR H A 63 CYS H 1.0 1.8 4.33 864 707 A 63 CYS H A 63 CYS HBy 1.0 1.8 4.52 865 708 A 62 TYR HBy A 63 CYS H 1.0 1.8 4.21 866 709 A 68 ALA HB% A 63 CYS H 1.0 1.8 5.85 867 710 A 63 CYS H A 70 LEU HD2% 1.0 1.8 5.75 868 711 A 63 CYS H A 63 CYS HA 1.0 1.8 4.35 869 712 A 63 CYS HA A 70 LEU HD2% 1.0 1.8 5.48 870 713 A 63 CYS HA A 64 LYS H 1.0 1.8 4.37 871 714 A 63 CYS HA A 63 CYS HBy 1.0 1.8 4.55 872 715 A 63 CYS HA A 63 CYS HBx 1.0 1.8 4.68 873 716 A 63 CYS H A 63 CYS HBx 1.0 1.8 4.67 874 717 A 66 CYS HA A 63 CYS HBx 1.0 1.8 4.87 875 718 A 62 TYR H A 63 CYS H 1.0 1.8 5.00 876 719 A 62 TYR HA A 63 CYS H 1.0 1.8 5.00 877 720 A 68 ALA HB% A 63 CYS HBy 1.0 1.8 7.00 878 720 A 68 ALA HB% A 63 CYS HBx 1.0 1.8 7.00 879 721 A 64 LYS H A 65 LYS H 1.0 1.8 4.43 880 722 A 64 LYS H A 64 LYS HB3 1.0 1.8 3.99 881 723 A 63 CYS HA A 64 LYS H 1.0 1.8 3.94 882 724 A 64 LYS H A 63 CYS HBx 1.0 1.8 4.38 883 725 A 64 LYS H A 70 LEU HD2% 1.0 1.8 5.92 884 726 A 64 LYS H A 99 MET HE% 1.0 1.8 6.50 885 727 A 64 LYS H A 65 LYS H 1.0 1.8 4.25 886 728 A 65 LYS H A 65 LYS HBy 1.0 1.8 3.92 887 729 A 66 CYS HA A 65 LYS H 1.0 1.8 4.26 888 730 A 65 LYS H A 65 LYS HG3 1.0 1.8 4.66 889 731 A 65 LYS H A 92 CYS HBy 1.0 1.8 5.41 890 731 A 65 LYS H A 92 CYS HBx 1.0 1.8 5.41 891 732 A 65 LYS H A 65 LYS HA 1.0 1.8 4.00 892 733 A 65 LYS H A 66 CYS HBy 1.0 1.8 4.92 893 734 A 65 LYS HDx A 65 LYS HE3 1.0 1.8 3.96 894 735 A 65 LYS HBy A 65 LYS HA 1.0 1.8 3.76 895 736 A 65 LYS HE3 A 65 LYS HDy 1.0 1.8 4.06 896 737 A 66 CYS HA A 65 LYS HG3 1.0 1.8 4.41 897 738 A 65 LYS HBy A 65 LYS HDx 1.0 1.8 4.00 898 739 A 65 LYS HA A 65 LYS HDx 1.0 1.8 4.87 899 740 A 65 LYS HA A 65 LYS HBx 1.0 1.8 3.95 900 741 A 65 LYS HA A 65 LYS HBx 1.0 1.8 4.32 901 742 A 65 LYS HDy A 65 LYS HBx 1.0 1.8 4.40 902 743 A 65 LYS HDx A 65 LYS HBx 1.0 1.8 4.51 903 744 A 65 LYS H A 65 LYS HA 1.0 1.8 4.38 904 745 A 65 LYS HDx A 95 CYS HBy 1.0 1.8 4.42 905 746 A 66 CYS HA A 65 LYS HDx 1.0 1.8 4.85 906 747 A 65 LYS HDy A 65 LYS HG3 1.0 1.8 4.51 907 747 A 65 LYS HDy A 65 LYS HGx 1.0 1.8 4.51 908 748 A 65 LYS HDx A 65 LYS HG3 1.0 1.8 4.48 909 748 A 65 LYS HDx A 65 LYS HGx 1.0 1.8 4.48 910 749 A 65 LYS HA A 65 LYS HG3 1.0 1.8 4.23 911 749 A 65 LYS HA A 65 LYS HGx 1.0 1.8 4.23 912 750 A 65 LYS HBy A 65 LYS HG3 1.0 1.8 4.10 913 750 A 65 LYS HBy A 65 LYS HGx 1.0 1.8 4.10 914 751 A 65 LYS HBx A 65 LYS HG3 1.0 1.8 4.66 915 751 A 65 LYS HBx A 65 LYS HGx 1.0 1.8 4.66 916 752 A 65 LYS HDy A 65 LYS HG3 1.0 1.8 3.94 917 752 A 65 LYS HDy A 65 LYS HGx 1.0 1.8 3.94 918 753 A 65 LYS H A 65 LYS HBx 1.0 1.8 4.56 919 754 A 64 LYS H A 65 LYS H 1.0 1.8 5.00 920 755 A 66 CYS H A 65 LYS HBy 1.0 1.8 4.18 921 756 A 66 CYS HA A 66 CYS H 1.0 1.8 4.26 922 757 A 66 CYS H A 67 HIS H 1.0 1.8 4.22 923 758 A 66 CYS H A 65 LYS HA 1.0 1.8 4.22 924 759 A 66 CYS H A 65 LYS HGx 1.0 1.8 4.98 925 760 A 66 CYS HA A 66 CYS HBx 1.0 1.8 3.90 926 761 A 66 CYS HA A 66 CYS HBy 1.0 1.8 3.83 927 762 A 66 CYS HA A 66 CYS HBx 1.0 1.8 4.28 928 763 A 66 CYS HA A 66 CYS HBy 1.0 1.8 4.30 929 764 A 66 CYS HA A 95 CYS HBy 1.0 1.8 4.90 930 765 A 65 LYS HA A 67 HIS H 1.0 1.8 4.39 931 766 A 66 CYS HA A 67 HIS H 1.0 1.8 4.46 932 767 A 66 CYS HBy A 67 HIS H 1.0 1.8 4.42 933 768 A 67 HIS H A 68 ALA H 1.0 1.8 4.46 934 769 A 67 HIS H A 67 HIS HBx 1.0 1.8 4.31 935 770 A 67 HIS HA A 67 HIS H 1.0 1.8 4.29 936 771 A 66 CYS H A 67 HIS H 1.0 1.8 4.21 937 772 A 66 CYS H A 67 HIS H 1.0 1.8 5.00 938 773 A 67 HIS H A 68 ALA H 1.0 1.8 4.26 939 774 A 67 HIS HA A 68 ALA H 1.0 1.8 4.40 940 775 A 68 ALA HA A 68 ALA H 1.0 1.8 4.24 941 776 A 68 ALA H A 67 HIS HBx 1.0 1.8 4.12 942 777 A 62 TYR HBy A 68 ALA H 1.0 1.8 4.69 943 778 A 68 ALA HB% A 68 ALA H 1.0 1.8 5.42 944 779 A 63 CYS H A 68 ALA H 1.0 1.8 4.32 945 780 A 36 ALA HB% A 68 ALA HA 1.0 1.8 5.37 946 781 A 68 ALA HB% A 37 LYS HBx 1.0 1.8 5.56 947 782 A 68 ALA HB% A 66 CYS HBy 1.0 1.8 5.12 948 783 A 68 ALA HB% A 63 CYS H 1.0 1.8 5.55 949 784 A 69 PHE H A 68 ALA HA 1.0 1.8 4.46 950 785 A 36 ALA HB% A 68 ALA HB% 1.0 1.8 6.21 951 786 A 66 CYS HA A 68 ALA HB% 1.0 1.8 5.58 952 787 A 68 ALA HB% A 63 CYS HBx 1.0 1.8 5.51 953 788 A 68 ALA HB% A 94 GLU HBx 1.0 1.8 5.23 954 789 A 68 ALA HB% A 70 LEU HD2% 1.0 1.8 6.25 955 790 A 68 ALA HA A 37 LYS HBx 1.0 1.8 5.01 956 791 A 68 ALA HA A 66 CYS HBy 1.0 1.8 4.94 957 792 A 68 ALA HA A 68 ALA HB% 1.0 1.8 6.39 958 793 A 68 ALA HB% A 94 GLU HGy 1.0 1.8 6.57 959 794 A 68 ALA HA A 68 ALA HB% 1.0 1.8 6.15 960 795 A 68 ALA HB% A 63 CYS HBy 1.0 1.8 6.03 961 796 A 68 ALA HB% A 66 CYS HBx 1.0 1.8 7.15 962 797 A 68 ALA HB% A 75 ASN HBx 1.0 1.8 6.85 963 798 A 68 ALA HB% A 68 ALA H 1.0 1.8 6.72 964 799 A 69 PHE H A 68 ALA HB% 1.0 1.8 6.89 965 800 A 67 HIS H A 68 ALA H 1.0 1.8 5.00 966 801 A 62 TYR HA A 68 ALA HB% 1.0 1.8 6.50 967 802 A 68 ALA HB% A 67 HIS H 1.0 1.8 6.50 968 803 A 67 HIS HA A 68 ALA H 1.0 1.8 5.00 969 804 A 63 CYS H A 68 ALA H 1.0 1.8 5.00 970 805 A 68 ALA HB% A 70 LEU HD2% 1.0 1.8 8.00 971 805 A 68 ALA HB% A 70 LEU HD1% 1.0 1.8 8.00 972 806 A 68 ALA HB% A 63 CYS H 1.0 1.8 6.50 973 807 A 68 ALA HB% A 70 LEU HA 1.0 1.8 6.50 974 808 A 68 ALA H A 67 HIS HB3 1.0 1.8 5.50 975 808 A 68 ALA H A 67 HIS HBx 1.0 1.8 5.50 976 809 A 69 PHE H A 68 ALA H 1.0 1.8 4.38 977 810 A 69 PHE H A 75 ASN HBx 1.0 1.8 4.61 978 811 A 69 PHE H A 68 ALA HA 1.0 1.8 3.87 979 812 A 69 PHE H A 69 PHE HBy 1.0 1.8 3.98 980 813 A 75 ASN HBy A 69 PHE H 1.0 1.8 4.47 981 814 A 36 ALA HB% A 69 PHE H 1.0 1.8 5.57 982 815 A 69 PHE H A 68 ALA HB% 1.0 1.8 5.29 983 816 A 69 PHE HA A 61 ARG HBy 1.0 1.8 4.62 984 817 A 69 PHE HA A 62 TYR H 1.0 1.8 4.65 985 818 A 69 PHE H A 70 LEU H 1.0 1.8 5.00 986 819 A 69 PHE HA A 29 PHE HD% 1.0 1.8 5.50 987 820 A 69 PHE HA A 70 LEU HD2% 1.0 1.8 6.50 988 820 A 69 PHE HA A 70 LEU HD1% 1.0 1.8 6.50 989 821 A 69 PHE H A 68 ALA HB% 1.0 1.8 6.50 990 822 A 62 TYR HBx A 70 LEU H 1.0 1.8 4.91 991 823 A 70 LEU H A 71 VAL H 1.0 1.8 4.60 992 824 A 69 PHE HA A 70 LEU H 1.0 1.8 4.20 993 825 A 70 LEU H A 70 LEU HD2% 1.0 1.8 5.65 994 826 A 70 LEU HG A 70 LEU H 1.0 1.8 4.08 995 827 A 61 ARG HA A 70 LEU H 1.0 1.8 4.27 996 828 A 70 LEU H A 69 PHE HBy 1.0 1.8 4.17 997 829 A 62 TYR HA A 70 LEU H 1.0 1.8 4.32 998 830 A 62 TYR H A 70 LEU H 1.0 1.8 4.17 999 831 A 70 LEU H A 75 ASN HD2y 1.0 1.8 4.93 1000 831 A 70 LEU H A 75 ASN HD21 1.0 1.8 4.93 1001 832 A 63 CYS H A 70 LEU H 1.0 1.8 4.93 1002 833 A 70 LEU HD1% A 70 LEU H 1.0 1.8 5.58 1003 834 A 70 LEU HD1% A 70 LEU HA 1.0 1.8 4.79 1004 835 A 70 LEU HD1% A 70 LEU HA 1.0 1.8 5.13 1005 836 A 70 LEU HG A 70 LEU HD1% 1.0 1.8 4.54 1006 837 A 70 LEU HG A 70 LEU HD2% 1.0 1.8 4.88 1007 838 A 70 LEU HA A 70 LEU HD2% 1.0 1.8 5.25 1008 839 A 63 CYS HBx A 70 LEU HD2% 1.0 1.8 5.40 1009 840 A 70 LEU HA A 76 ALA HB% 1.0 1.8 5.51 1010 841 A 70 LEU HA A 70 LEU HD2% 1.0 1.8 5.71 1011 842 A 63 CYS HA A 70 LEU HD2% 1.0 1.8 5.25 1012 843 A 70 LEU HA A 71 VAL H 1.0 1.8 4.61 1013 844 A 62 TYR HA A 70 LEU HD2% 1.0 1.8 5.24 1014 845 A 63 CYS HA A 70 LEU HD1% 1.0 1.8 5.59 1015 846 A 70 LEU HD1% A 78 VAL HB 1.0 1.8 5.46 1016 847 A 70 LEU HD1% A 70 LEU H 1.0 1.8 5.31 1017 848 A 62 TYR H A 70 LEU HD2% 1.0 1.8 6.22 1018 849 A 63 CYS HBx A 70 LEU HD1% 1.0 1.8 5.64 1019 850 A 76 ALA HB% A 70 LEU HD2% 1.0 1.8 5.94 1020 851 A 63 CYS HBy A 70 LEU HD2% 1.0 1.8 5.38 1021 852 A 63 CYS H A 70 LEU HD2% 1.0 1.8 5.58 1022 853 A 70 LEU H A 70 LEU HD2% 1.0 1.8 5.64 1023 854 A 70 LEU HD1% A 71 VAL H 1.0 1.8 5.50 1024 855 A 70 LEU HD1% A 76 ALA HB% 1.0 1.8 8.06 1025 856 A 71 VAL H A 70 LEU HD2% 1.0 1.8 6.50 1026 856 A 70 LEU HD1% A 71 VAL H 1.0 1.8 6.50 1027 857 A 70 LEU HA A 71 VAL H 1.0 1.8 5.00 1028 858 A 99 MET HE% A 70 LEU HD2% 1.0 1.8 8.00 1029 858 A 99 MET HE% A 70 LEU HD1% 1.0 1.8 8.00 1030 859 A 78 VAL H A 70 LEU HD2% 1.0 1.8 6.50 1031 859 A 70 LEU HD1% A 78 VAL H 1.0 1.8 6.50 1032 860 A 62 TYR HA A 70 LEU H 1.0 1.8 5.00 1033 861 A 99 MET HE% A 70 LEU HD2% 1.0 1.8 8.00 1034 861 A 99 MET HE% A 70 LEU HD1% 1.0 1.8 8.00 1035 862 A 68 ALA HA A 70 LEU HD2% 1.0 1.8 6.50 1036 862 A 68 ALA HA A 70 LEU HD1% 1.0 1.8 6.50 1037 863 A 62 TYR HA A 70 LEU HD2% 1.0 1.8 6.50 1038 863 A 62 TYR HA A 70 LEU HD1% 1.0 1.8 6.50 1039 864 A 63 CYS HBx A 70 LEU HD2% 1.0 1.8 7.00 1040 864 A 63 CYS HBy A 70 LEU HD2% 1.0 1.8 7.00 1041 864 A 70 LEU HD1% A 63 CYS HBy 1.0 1.8 7.00 1042 864 A 63 CYS HBx A 70 LEU HD1% 1.0 1.8 7.00 1043 865 A 63 CYS H A 70 LEU HD2% 1.0 1.8 6.50 1044 865 A 63 CYS H A 70 LEU HD1% 1.0 1.8 6.50 1045 866 A 70 LEU HD1% A 71 VAL HG2% 1.0 1.8 8.00 1046 866 A 70 LEU HD2% A 71 VAL HG2% 1.0 1.8 8.00 1047 866 A 71 VAL HG1% A 70 LEU HD2% 1.0 1.8 8.00 1048 866 A 71 VAL HG1% A 70 LEU HD1% 1.0 1.8 8.00 1049 867 A 70 LEU H A 69 PHE HBy 1.0 1.8 5.50 1050 867 A 70 LEU H A 69 PHE HBx 1.0 1.8 5.50 1051 868 A 70 LEU HA A 71 VAL H 1.0 1.8 4.13 1052 869 A 71 VAL H A 71 VAL HB 1.0 1.8 4.34 1053 870 A 71 VAL H A 76 ALA HB% 1.0 1.8 5.68 1054 871 A 70 LEU HD1% A 71 VAL H 1.0 1.8 5.47 1055 872 A 71 VAL H A 71 VAL HG2% 1.0 1.8 5.64 1056 873 A 71 VAL H A 71 VAL HA 1.0 1.8 4.43 1057 874 A 71 VAL H A 76 ALA H 1.0 1.8 4.37 1058 875 A 71 VAL H A 75 ASN H 1.0 1.8 4.42 1059 876 A 71 VAL H A 75 ASN HD2y 1.0 1.8 4.86 1060 876 A 71 VAL H A 75 ASN HD21 1.0 1.8 4.86 1061 877 A 71 VAL HA A 72 PRO HGx 1.0 1.8 4.42 1062 878 A 71 VAL HG1% A 72 PRO HDx 1.0 1.8 4.89 1063 879 A 71 VAL HG1% A 71 VAL HA 1.0 1.8 4.96 1064 880 A 71 VAL HA A 71 VAL HG2% 1.0 1.8 5.38 1065 881 A 71 VAL HA A 72 PRO HGy 1.0 1.8 4.35 1066 882 A 71 VAL HB A 71 VAL HA 1.0 1.8 4.28 1067 883 A 71 VAL HA A 71 VAL HG2% 1.0 1.8 4.92 1068 884 A 71 VAL HB A 71 VAL HG2% 1.0 1.8 4.76 1069 885 A 71 VAL HG1% A 71 VAL HA 1.0 1.8 4.64 1070 886 A 71 VAL HA A 72 PRO HDx 1.0 1.8 4.28 1071 887 A 71 VAL HG1% A 71 VAL HB 1.0 1.8 5.16 1072 888 A 71 VAL HB A 74 ILE HD1% 1.0 1.8 5.29 1073 889 A 71 VAL HB A 75 ASN H 1.0 1.8 4.68 1074 890 A 71 VAL H A 71 VAL HG2% 1.0 1.8 5.60 1075 891 A 71 VAL HG1% A 74 ILE HG1x 1.0 1.8 5.21 1076 892 A 72 PRO HDx A 71 VAL HG2% 1.0 1.8 5.27 1077 893 A 74 ILE HB A 71 VAL HG2% 1.0 1.8 5.67 1078 894 A 70 LEU H A 71 VAL HG2% 1.0 1.8 5.17 1079 895 A 74 ILE HD1% A 71 VAL HG2% 1.0 1.8 6.56 1080 896 A 69 PHE HA A 71 VAL HG2% 1.0 1.8 5.28 1081 897 A 69 PHE HZ A 71 VAL HG2% 1.0 1.8 5.67 1082 898 A 71 VAL HG1% A 71 VAL H 1.0 1.8 5.46 1083 899 A 69 PHE HBy A 71 VAL HG2% 1.0 1.8 5.59 1084 900 A 29 PHE HD% A 71 VAL HG2% 1.0 1.8 6.46 1085 901 A 29 PHE HD% A 71 VAL HG1% 1.0 1.8 6.59 1086 902 A 69 PHE HE% A 71 VAL HG2% 1.0 1.8 7.00 1087 902 A 69 PHE HE% A 71 VAL HG1% 1.0 1.8 7.00 1088 903 A 69 PHE HD% A 71 VAL HG2% 1.0 1.8 7.00 1089 903 A 71 VAL HG1% A 69 PHE HD% 1.0 1.8 7.00 1090 904 A 26 GLU HBy A 71 VAL HG2% 1.0 1.8 7.00 1091 904 A 71 VAL HG1% A 26 GLU HBx 1.0 1.8 7.00 1092 904 A 26 GLU HBy A 71 VAL HG1% 1.0 1.8 7.00 1093 904 A 26 GLU HBx A 71 VAL HG2% 1.0 1.8 7.00 1094 905 A 69 PHE HA A 71 VAL HG2% 1.0 1.8 6.50 1095 905 A 69 PHE HA A 71 VAL HG1% 1.0 1.8 6.50 1096 906 A 71 VAL H A 75 ASN HD2y 1.0 1.8 5.50 1097 906 A 71 VAL H A 75 ASN HD21 1.0 1.8 5.50 1098 907 A 72 PRO HGx A 72 PRO HDx 1.0 1.8 4.06 1099 908 A 72 PRO HGy A 72 PRO HDy 1.0 1.8 3.77 1100 909 A 72 PRO HDx A 72 PRO HBy 1.0 1.8 4.47 1101 910 A 72 PRO HGx A 72 PRO HDy 1.0 1.8 3.94 1102 911 A 72 PRO HDy A 72 PRO HBy 1.0 1.8 4.02 1103 912 A 72 PRO HGx A 72 PRO HBy 1.0 1.8 3.82 1104 913 A 72 PRO HGx A 72 PRO HDx 1.0 1.8 4.15 1105 914 A 71 VAL HG1% A 72 PRO HDx 1.0 1.8 5.27 1106 915 A 72 PRO HDx A 72 PRO HGy 1.0 1.8 4.15 1107 916 A 72 PRO HGy A 72 PRO HDy 1.0 1.8 4.01 1108 917 A 72 PRO HDy A 72 PRO HBy 1.0 1.8 4.34 1109 918 A 72 PRO HGx A 72 PRO HDx 1.0 1.8 4.24 1110 919 A 72 PRO HDx A 72 PRO HGy 1.0 1.8 3.83 1111 920 A 72 PRO HGy A 72 PRO HBy 1.0 1.8 3.51 1112 921 A 72 PRO HA A 72 PRO HBx 1.0 1.8 4.21 1113 922 A 72 PRO HA A 72 PRO HBy 1.0 1.8 4.17 1114 923 A 72 PRO HDx A 72 PRO HBx 1.0 1.8 4.28 1115 924 A 72 PRO HA A 72 PRO HBx 1.0 1.8 4.31 1116 925 A 71 VAL HG1% A 72 PRO HDy 1.0 1.8 5.27 1117 926 A 70 LEU HD1% A 72 PRO HA 1.0 1.8 5.67 1118 927 A 72 PRO HA A 74 ILE HG1y 1.0 1.8 4.92 1119 928 A 71 VAL HG1% A 72 PRO HBx 1.0 1.8 5.80 1120 929 A 76 ALA HB% A 72 PRO HA 1.0 1.8 6.59 1121 930 A 73 GLY H A 72 PRO HBy 1.0 1.8 4.51 1122 931 A 73 GLY H A 73 GLY HAy 1.0 1.8 3.82 1123 932 A 72 PRO HA A 73 GLY H 1.0 1.8 4.31 1124 933 A 72 PRO HA A 73 GLY H 1.0 1.8 5.00 1125 934 A 73 GLY HAy A 74 ILE H 1.0 1.8 3.81 1126 935 A 74 ILE H A 77 ARG HGy 1.0 1.8 4.43 1127 936 A 74 ILE H A 74 ILE HG1x 1.0 1.8 3.98 1128 937 A 74 ILE HG2% A 74 ILE H 1.0 1.8 5.12 1129 938 A 76 ALA H A 74 ILE H 1.0 1.8 4.20 1130 939 A 74 ILE HB A 74 ILE HG1y 1.0 1.8 4.08 1131 940 A 74 ILE HB A 74 ILE HD1% 1.0 1.8 4.84 1132 941 A 74 ILE HA A 74 ILE HG1x 1.0 1.8 4.28 1133 942 A 74 ILE HB A 74 ILE HG1x 1.0 1.8 4.31 1134 943 A 74 ILE HG2% A 74 ILE HB 1.0 1.8 5.14 1135 944 A 30 PRO HA A 74 ILE HD1% 1.0 1.8 5.46 1136 945 A 30 PRO HA A 74 ILE HB 1.0 1.8 4.85 1137 946 A 74 ILE HB A 74 ILE HA 1.0 1.8 3.99 1138 947 A 74 ILE H A 74 ILE HA 1.0 1.8 4.69 1139 948 A 74 ILE HD1% A 71 VAL HG2% 1.0 1.8 6.20 1140 949 A 74 ILE HG2% A 29 PHE HBx 1.0 1.8 5.70 1141 950 A 74 ILE HD1% A 29 PHE HBx 1.0 1.8 6.08 1142 951 A 73 GLY HAy A 74 ILE HD1% 1.0 1.8 5.22 1143 952 A 30 PRO HA A 74 ILE HG1y 1.0 1.8 4.83 1144 953 A 74 ILE H A 74 ILE HD1% 1.0 1.8 5.42 1145 954 A 74 ILE HB A 74 ILE HG1y 1.0 1.8 4.05 1146 955 A 74 ILE HB A 74 ILE H 1.0 1.8 4.46 1147 956 A 29 PHE HE% A 74 ILE HD1% 1.0 1.8 7.24 1148 957 A 29 PHE HD% A 74 ILE HD1% 1.0 1.8 6.88 1149 958 A 29 PHE HD% A 74 ILE HD1% 1.0 1.8 7.00 1150 959 A 76 ALA H A 74 ILE H 1.0 1.8 5.00 1151 960 A 29 PHE HE% A 74 ILE HD1% 1.0 1.8 7.00 1152 961 A 74 ILE H A 72 PRO HBy 1.0 1.8 5.50 1153 961 A 74 ILE H A 72 PRO HBx 1.0 1.8 5.50 1154 962 A 74 ILE HD1% A 71 VAL HG2% 1.0 1.8 8.00 1155 962 A 71 VAL HG1% A 74 ILE HD1% 1.0 1.8 8.00 1156 963 A 75 ASN H A 74 ILE HB 1.0 1.8 3.95 1157 964 A 75 ASN H A 75 ASN HA 1.0 1.8 4.33 1158 965 A 75 ASN HBy A 75 ASN H 1.0 1.8 4.57 1159 966 A 76 ALA H A 75 ASN H 1.0 1.8 3.87 1160 967 A 75 ASN H A 74 ILE HA 1.0 1.8 4.06 1161 968 A 71 VAL HB A 75 ASN H 1.0 1.8 4.60 1162 969 A 75 ASN H A 74 ILE HG1x 1.0 1.8 4.34 1163 970 A 74 ILE HG2% A 75 ASN H 1.0 1.8 5.45 1164 971 A 75 ASN HBx A 75 ASN HA 1.0 1.8 4.01 1165 972 A 75 ASN HA A 93 LEU HD1% 1.0 1.8 5.00 1166 973 A 75 ASN HBy A 75 ASN HA 1.0 1.8 4.23 1167 974 A 75 ASN HA A 93 LEU HBy 1.0 1.8 4.24 1168 975 A 75 ASN H A 74 ILE HG1x 1.0 1.8 5.50 1169 975 A 75 ASN H A 74 ILE HG1y 1.0 1.8 5.50 1170 976 A 75 ASN H A 71 VAL HG2% 1.0 1.8 6.50 1171 976 A 71 VAL HG1% A 75 ASN H 1.0 1.8 6.50 1172 977 A 75 ASN H A 74 ILE HB 1.0 1.8 5.00 1173 978 A 75 ASN H A 74 ILE HA 1.0 1.8 5.00 1174 979 A 75 ASN HBy A 76 ALA H 1.0 1.8 4.59 1175 980 A 76 ALA H A 76 ALA HA 1.0 1.8 4.21 1176 981 A 76 ALA H A 75 ASN H 1.0 1.8 3.76 1177 982 A 76 ALA H A 75 ASN HA 1.0 1.8 4.24 1178 983 A 76 ALA H A 74 ILE HA 1.0 1.8 4.02 1179 984 A 76 ALA H A 72 PRO HA 1.0 1.8 4.81 1180 985 A 76 ALA H A 74 ILE HB 1.0 1.8 4.03 1181 986 A 76 ALA H A 77 ARG HBx 1.0 1.8 4.60 1182 987 A 76 ALA HB% A 76 ALA H 1.0 1.8 5.30 1183 988 A 76 ALA H A 93 LEU HD1% 1.0 1.8 5.39 1184 989 A 70 LEU HA A 76 ALA HB% 1.0 1.8 4.99 1185 990 A 76 ALA HA A 77 ARG HBx 1.0 1.8 4.34 1186 991 A 76 ALA HB% A 76 ALA H 1.0 1.8 5.04 1187 992 A 76 ALA HA A 93 LEU HG 1.0 1.8 4.21 1188 993 A 71 VAL H A 76 ALA HB% 1.0 1.8 5.60 1189 994 A 76 ALA HB% A 77 ARG H 1.0 1.8 5.36 1190 995 A 76 ALA HA A 77 ARG H 1.0 1.8 4.59 1191 996 A 76 ALA HA A 77 ARG H 1.0 1.8 4.27 1192 997 A 76 ALA HB% A 74 ILE HB 1.0 1.8 5.59 1193 998 A 76 ALA HA A 93 LEU HD1% 1.0 1.8 5.54 1194 999 A 70 LEU HG A 76 ALA HB% 1.0 1.8 4.93 1195 1000 A 76 ALA HB% A 91 LYS HBy 1.0 1.8 5.54 1196 1001 A 76 ALA HA A 92 CYS HBy 1.0 1.8 5.15 1197 1002 A 76 ALA HB% A 91 LYS HD3 1.0 1.8 5.10 1198 1003 A 76 ALA HB% A 70 LEU HD2% 1.0 1.8 5.76 1199 1004 A 76 ALA HA A 70 LEU HD2% 1.0 1.8 6.26 1200 1005 A 70 LEU HD1% A 76 ALA HB% 1.0 1.8 7.86 1201 1006 A 76 ALA HB% A 77 ARG HA 1.0 1.8 6.85 1202 1007 A 76 ALA HB% A 76 ALA HA 1.0 1.8 6.46 1203 1008 A 76 ALA HB% A 72 PRO HA 1.0 1.8 6.36 1204 1009 A 76 ALA HB% A 76 ALA HA 1.0 1.8 6.19 1205 1010 A 76 ALA H A 75 ASN H 1.0 1.8 5.00 1206 1011 A 76 ALA H A 74 ILE HB 1.0 1.8 5.00 1207 1012 A 76 ALA H A 75 ASN HA 1.0 1.8 5.00 1208 1013 A 76 ALA H A 77 ARG H 1.0 1.8 5.00 1209 1014 A 76 ALA HA A 77 ARG H 1.0 1.8 3.93 1210 1015 A 77 ARG H A 78 VAL HA 1.0 1.8 4.62 1211 1016 A 77 ARG HBx A 77 ARG H 1.0 1.8 3.84 1212 1017 A 77 ARG H A 77 ARG HGx 1.0 1.8 4.49 1213 1018 A 76 ALA HB% A 77 ARG H 1.0 1.8 5.35 1214 1019 A 77 ARG H A 77 ARG HA 1.0 1.8 4.34 1215 1020 A 77 ARG HA A 77 ARG HGx 1.0 1.8 4.06 1216 1021 A 78 VAL HA A 77 ARG HGx 1.0 1.8 4.30 1217 1022 A 77 ARG HA A 77 ARG HBy 1.0 1.8 4.41 1218 1023 A 77 ARG HA A 77 ARG HGx 1.0 1.8 4.45 1219 1024 A 77 ARG HA A 73 GLY HAx 1.0 1.8 4.10 1220 1025 A 77 ARG HGy A 77 ARG HA 1.0 1.8 4.29 1221 1026 A 77 ARG HBx A 77 ARG HA 1.0 1.8 4.25 1222 1027 A 77 ARG HA A 77 ARG HDy 1.0 1.8 4.47 1223 1028 A 77 ARG HBy A 91 LYS HGx 1.0 1.8 4.18 1224 1029 A 77 ARG HGy A 77 ARG H 1.0 1.8 4.56 1225 1030 A 77 ARG HGx A 79 ARG H 1.0 1.8 4.99 1226 1031 A 77 ARG HA A 78 VAL HG1% 1.0 1.8 5.93 1227 1032 A 77 ARG HGy A 77 ARG HA 1.0 1.8 4.02 1228 1033 A 76 ALA HA A 77 ARG H 1.0 1.8 5.00 1229 1034 A 78 VAL H A 77 ARG HGy 1.0 1.8 4.12 1230 1035 A 78 VAL H A 78 VAL HG2% 1.0 1.8 5.79 1231 1036 A 78 VAL HA A 78 VAL HG2% 1.0 1.8 5.07 1232 1037 A 78 VAL HB A 78 VAL HG2% 1.0 1.8 4.61 1233 1038 A 78 VAL HA A 78 VAL HG2% 1.0 1.8 4.75 1234 1039 A 78 VAL HB A 78 VAL HG2% 1.0 1.8 5.25 1235 1040 A 78 VAL HB A 78 VAL HA 1.0 1.8 4.55 1236 1041 A 78 VAL HA A 78 VAL HG1% 1.0 1.8 4.74 1237 1042 A 78 VAL HB A 78 VAL HG1% 1.0 1.8 4.47 1238 1043 A 78 VAL HA A 78 VAL HG1% 1.0 1.8 4.81 1239 1044 A 78 VAL HA A 78 VAL HG1% 1.0 1.8 4.98 1240 1045 A 90 VAL HB A 78 VAL HG2% 1.0 1.8 5.58 1241 1046 A 77 ARG HA A 78 VAL HG1% 1.0 1.8 5.91 1242 1047 A 90 VAL HA A 78 VAL HG2% 1.0 1.8 5.17 1243 1048 A 78 VAL HB A 80 LEU HG 1.0 1.8 4.90 1244 1049 A 72 PRO HA A 78 VAL HG2% 1.0 1.8 5.83 1245 1050 A 78 VAL HB A 88 ILE HG1y 1.0 1.8 4.50 1246 1051 A 88 ILE HB A 78 VAL HG2% 1.0 1.8 5.67 1247 1052 A 78 VAL HB A 80 LEU HD1% 1.0 1.8 5.80 1248 1053 A 80 LEU HD2% A 78 VAL HG2% 1.0 1.8 6.36 1249 1054 A 80 LEU HD2% A 78 VAL HG1% 1.0 1.8 6.15 1250 1055 A 88 ILE HB A 78 VAL HG1% 1.0 1.8 5.09 1251 1056 A 90 VAL H A 78 VAL HG2% 1.0 1.8 5.94 1252 1057 A 79 ARG H A 78 VAL HG2% 1.0 1.8 5.26 1253 1058 A 78 VAL HB A 72 PRO HGx 1.0 1.8 4.06 1254 1059 A 88 ILE H A 78 VAL HG2% 1.0 1.8 6.50 1255 1059 A 78 VAL HG1% A 88 ILE H 1.0 1.8 6.50 1256 1060 A 79 ARG H A 79 ARG HB3 1.0 1.8 4.05 1257 1061 A 79 ARG HA A 79 ARG HGx 1.0 1.8 3.76 1258 1062 A 79 ARG HA A 79 ARG HDx 1.0 1.8 4.09 1259 1063 A 88 ILE HB A 79 ARG HA 1.0 1.8 4.61 1260 1064 A 79 ARG H A 79 ARG HGy 1.0 1.8 4.65 1261 1065 A 79 ARG HA A 89 VAL HG2% 1.0 1.8 5.60 1262 1066 A 79 ARG HA A 79 ARG HBx 1.0 1.8 5.13 1263 1066 A 79 ARG HA A 79 ARG HB3 1.0 1.8 5.13 1264 1067 A 79 ARG H A 79 ARG HBx 1.0 1.8 4.52 1265 1068 A 79 ARG HGx A 80 LEU H 1.0 1.8 4.54 1266 1069 A 80 LEU H A 81 ARG HA 1.0 1.8 4.71 1267 1070 A 80 LEU HD1% A 80 LEU HBy 1.0 1.8 4.99 1268 1071 A 80 LEU HG A 80 LEU HD1% 1.0 1.8 4.71 1269 1072 A 80 LEU HG A 80 LEU HD2% 1.0 1.8 4.77 1270 1073 A 80 LEU HD2% A 80 LEU HBy 1.0 1.8 4.90 1271 1074 A 80 LEU HD1% A 79 ARG HA 1.0 1.8 5.05 1272 1075 A 80 LEU HD1% A 80 LEU HBy 1.0 1.8 4.86 1273 1076 A 80 LEU HG A 80 LEU HD1% 1.0 1.8 5.15 1274 1077 A 80 LEU HD2% A 80 LEU HA 1.0 1.8 4.84 1275 1078 A 80 LEU HD1% A 72 PRO HBy 1.0 1.8 5.07 1276 1079 A 80 LEU HD2% A 78 VAL HG2% 1.0 1.8 6.69 1277 1080 A 80 LEU HD1% A 78 VAL HG2% 1.0 1.8 6.36 1278 1081 A 80 LEU HD1% A 79 ARG HDx 1.0 1.8 6.12 1279 1082 A 81 ARG H A 88 ILE HA 1.0 1.8 3.87 1280 1083 A 81 ARG HA A 81 ARG H 1.0 1.8 4.02 1281 1084 A 80 LEU HBy A 81 ARG H 1.0 1.8 4.20 1282 1085 A 81 ARG H A 81 ARG HB2 1.0 1.8 4.98 1283 1085 A 81 ARG H A 81 ARG HBy 1.0 1.8 4.98 1284 1086 A 81 ARG H A 88 ILE HG2% 1.0 1.8 5.76 1285 1087 A 79 ARG HB3 A 81 ARG HB2 1.0 1.8 4.77 1286 1088 A 79 ARG HDx A 81 ARG HGy 1.0 1.8 4.03 1287 1089 A 81 ARG HBy A 81 ARG HGy 1.0 1.8 5.20 1288 1089 A 81 ARG HB2 A 81 ARG HGy 1.0 1.8 5.20 1289 1089 A 81 ARG HG2 A 81 ARG HB2 1.0 1.8 5.20 1290 1089 A 81 ARG HBy A 81 ARG HG2 1.0 1.8 5.20 1291 1090 A 88 ILE H A 87 HIS H 1.0 1.8 4.59 1292 1091 A 87 HIS H A 86 PRO HA 1.0 1.8 4.26 1293 1092 A 87 HIS H A 86 PRO HBx 1.0 1.8 4.25 1294 1093 A 87 HIS HA A 87 HIS HBy 1.0 1.8 4.35 1295 1094 A 87 HIS HA A 87 HIS HBx 1.0 1.8 4.39 1296 1095 A 87 HIS HA A 88 ILE HG2% 1.0 1.8 5.67 1297 1096 A 88 ILE H A 87 HIS HBy 1.0 1.8 4.42 1298 1097 A 88 ILE H A 87 HIS HBx 1.0 1.8 4.37 1299 1098 A 88 ILE HB A 88 ILE H 1.0 1.8 4.60 1300 1099 A 88 ILE H A 89 VAL HA 1.0 1.8 5.04 1301 1100 A 88 ILE H A 87 HIS HA 1.0 1.8 4.36 1302 1101 A 88 ILE H A 88 ILE HG1y 1.0 1.8 4.29 1303 1102 A 88 ILE H A 88 ILE HG2% 1.0 1.8 5.70 1304 1103 A 88 ILE HD1% A 88 ILE HG1y 1.0 1.8 4.63 1305 1104 A 88 ILE HB A 88 ILE HG2% 1.0 1.8 4.63 1306 1105 A 88 ILE HA A 88 ILE HG2% 1.0 1.8 4.75 1307 1106 A 88 ILE HB A 88 ILE HA 1.0 1.8 3.88 1308 1107 A 88 ILE HA A 88 ILE HG1y 1.0 1.8 4.22 1309 1108 A 88 ILE HB A 88 ILE HG1x 1.0 1.8 4.40 1310 1109 A 88 ILE HB A 88 ILE HG1y 1.0 1.8 4.06 1311 1110 A 88 ILE HA A 88 ILE HG1x 1.0 1.8 4.49 1312 1111 A 88 ILE HD1% A 101 TYR HBy 1.0 1.8 5.41 1313 1112 A 88 ILE HG1y A 101 TYR HBy 1.0 1.8 4.64 1314 1113 A 88 ILE H A 88 ILE HG1y 1.0 1.8 4.69 1315 1114 A 87 HIS HA A 88 ILE HG2% 1.0 1.8 5.17 1316 1115 A 88 ILE HD1% A 88 ILE HG1x 1.0 1.8 4.86 1317 1116 A 86 PRO HBx A 88 ILE HG2% 1.0 1.8 5.24 1318 1117 A 88 ILE HA A 88 ILE HD1% 1.0 1.8 5.33 1319 1118 A 78 VAL HB A 88 ILE HD1% 1.0 1.8 5.94 1320 1119 A 88 ILE HD1% A 101 TYR HBx 1.0 1.8 5.89 1321 1120 A 88 ILE HD1% A 101 TYR H 1.0 1.8 5.52 1322 1121 A 88 ILE HA A 88 ILE HG1y 1.0 1.8 4.30 1323 1122 A 101 TYR HD% A 88 ILE HG2% 1.0 1.8 7.23 1324 1123 A 88 ILE HD1% A 101 TYR HD% 1.0 1.8 6.93 1325 1124 A 88 ILE HG1x A 101 TYR HBy 1.0 1.8 6.00 1326 1124 A 88 ILE HG1y A 101 TYR HBx 1.0 1.8 6.00 1327 1124 A 101 TYR HBx A 88 ILE HG1x 1.0 1.8 6.00 1328 1124 A 88 ILE HG2% A 101 TYR HBy 1.0 1.8 6.00 1329 1124 A 101 TYR HBx A 88 ILE HG2% 1.0 1.8 6.00 1330 1124 A 88 ILE HG1y A 101 TYR HBy 1.0 1.8 6.00 1331 1125 A 101 TYR HD% A 88 ILE HG1x 1.0 1.8 6.00 1332 1125 A 101 TYR HD% A 88 ILE HG2% 1.0 1.8 6.00 1333 1125 A 101 TYR HD% A 88 ILE HG1y 1.0 1.8 6.00 1334 1126 A 101 TYR HA A 88 ILE HG1x 1.0 1.8 5.50 1335 1126 A 101 TYR HA A 88 ILE HG2% 1.0 1.8 5.50 1336 1126 A 88 ILE HG1y A 101 TYR HA 1.0 1.8 5.50 1337 1127 A 88 ILE HG1x A 101 TYR HBy 1.0 1.8 6.00 1338 1127 A 88 ILE HG1y A 101 TYR HBx 1.0 1.8 6.00 1339 1127 A 101 TYR HBx A 88 ILE HG1x 1.0 1.8 6.00 1340 1127 A 88 ILE HG2% A 101 TYR HBy 1.0 1.8 6.00 1341 1127 A 101 TYR HBx A 88 ILE HG2% 1.0 1.8 6.00 1342 1127 A 88 ILE HG1y A 101 TYR HBy 1.0 1.8 6.00 1343 1128 A 90 VAL HA A 89 VAL H 1.0 1.8 4.64 1344 1129 A 90 VAL H A 89 VAL H 1.0 1.8 4.41 1345 1130 A 88 ILE HB A 89 VAL H 1.0 1.8 4.18 1346 1131 A 88 ILE HG1y A 89 VAL H 1.0 1.8 4.19 1347 1132 A 89 VAL HA A 100 ARG HGy 1.0 1.8 4.66 1348 1133 A 89 VAL HA A 88 ILE HG1x 1.0 1.8 4.79 1349 1134 A 89 VAL HA A 89 VAL HG1% 1.0 1.8 4.96 1350 1135 A 89 VAL HG1% A 89 VAL HB 1.0 1.8 4.57 1351 1136 A 89 VAL HA A 89 VAL HB 1.0 1.8 4.27 1352 1137 A 90 VAL HA A 89 VAL HA 1.0 1.8 3.97 1353 1138 A 89 VAL HA A 100 ARG HA 1.0 1.8 4.57 1354 1139 A 89 VAL HA A 88 ILE HG1y 1.0 1.8 4.45 1355 1140 A 89 VAL HG2% A 89 VAL HA 1.0 1.8 4.80 1356 1141 A 89 VAL HG2% A 91 LYS HE3 1.0 1.8 5.31 1357 1142 A 89 VAL H A 89 VAL HB 1.0 1.8 4.59 1358 1143 A 89 VAL H A 89 VAL HG1% 1.0 1.8 5.48 1359 1144 A 89 VAL HG2% A 89 VAL H 1.0 1.8 5.55 1360 1145 A 89 VAL HG2% A 91 LYS HDx 1.0 1.8 4.85 1361 1146 A 89 VAL HG1% A 100 ARG HA 1.0 1.8 5.86 1362 1147 A 88 ILE HA A 89 VAL HG1% 1.0 1.8 5.09 1363 1148 A 89 VAL HG1% A 98 ILE HG1y 1.0 1.8 5.35 1364 1149 A 89 VAL HG1% A 98 ILE HG1y 1.0 1.8 5.35 1365 1150 A 89 VAL HG1% A 100 ARG HD3 1.0 1.8 5.67 1366 1151 A 79 ARG HDx A 89 VAL HG2% 1.0 1.8 5.61 1367 1152 A 79 ARG HGy A 89 VAL HG2% 1.0 1.8 5.31 1368 1153 A 90 VAL HA A 89 VAL HG2% 1.0 1.8 5.78 1369 1154 A 90 VAL H A 89 VAL HG2% 1.0 1.8 5.26 1370 1155 A 89 VAL HA A 89 VAL HB 1.0 1.8 4.39 1371 1156 A 90 VAL H A 88 ILE HG1y 1.0 1.8 4.50 1372 1157 A 90 VAL HB A 90 VAL H 1.0 1.8 4.43 1373 1158 A 90 VAL H A 90 VAL HG1% 1.0 1.8 5.36 1374 1159 A 90 VAL H A 89 VAL HA 1.0 1.8 3.96 1375 1160 A 90 VAL H A 100 ARG HA 1.0 1.8 4.23 1376 1161 A 90 VAL H A 91 LYS H 1.0 1.8 4.28 1377 1162 A 88 ILE HG1y A 90 VAL HG2% 1.0 1.8 4.56 1378 1163 A 90 VAL HA A 90 VAL HG1% 1.0 1.8 5.07 1379 1164 A 90 VAL HB A 90 VAL HG1% 1.0 1.8 4.44 1380 1165 A 90 VAL HA A 90 VAL HG2% 1.0 1.8 4.86 1381 1166 A 90 VAL HA A 89 VAL HA 1.0 1.8 4.44 1382 1167 A 90 VAL HB A 90 VAL HA 1.0 1.8 4.57 1383 1168 A 90 VAL HB A 99 MET HA 1.0 1.8 4.69 1384 1169 A 88 ILE HG1x A 90 VAL HG2% 1.0 1.8 4.70 1385 1170 A 90 VAL HA A 91 LYS H 1.0 1.8 4.61 1386 1171 A 91 LYS H A 90 VAL HG1% 1.0 1.8 5.23 1387 1172 A 89 VAL HA A 90 VAL HG2% 1.0 1.8 4.95 1388 1173 A 99 MET HE% A 90 VAL HB 1.0 1.8 4.66 1389 1174 A 78 VAL HB A 90 VAL HG2% 1.0 1.8 4.63 1390 1175 A 89 VAL H A 90 VAL HG2% 1.0 1.8 5.67 1391 1176 A 90 VAL HA A 90 VAL HG1% 1.0 1.8 5.88 1392 1177 A 90 VAL HB A 90 VAL HG2% 1.0 1.8 5.64 1393 1178 A 101 TYR HD% A 90 VAL HG2% 1.0 1.8 6.85 1394 1179 A 90 VAL HA A 99 MET H 1.0 1.8 5.00 1395 1180 A 90 VAL HB A 99 MET H 1.0 1.8 5.00 1396 1181 A 99 MET HE% A 90 VAL HB 1.0 1.8 6.50 1397 1182 A 99 MET HE% A 90 VAL HG2% 1.0 1.8 8.00 1398 1182 A 99 MET HE% A 90 VAL HG1% 1.0 1.8 8.00 1399 1183 A 90 VAL H A 99 MET H 1.0 1.8 5.00 1400 1184 A 91 LYS HDx A 91 LYS H 1.0 1.8 4.04 1401 1185 A 90 VAL HA A 91 LYS H 1.0 1.8 4.34 1402 1186 A 78 VAL HA A 91 LYS H 1.0 1.8 4.01 1403 1187 A 91 LYS H A 91 LYS HBy 1.0 1.8 4.06 1404 1188 A 76 ALA HB% A 91 LYS H 1.0 1.8 5.49 1405 1189 A 91 LYS H A 90 VAL HG1% 1.0 1.8 5.30 1406 1190 A 77 ARG H A 91 LYS H 1.0 1.8 4.37 1407 1191 A 78 VAL HB A 91 LYS H 1.0 1.8 4.95 1408 1192 A 91 LYS HA A 91 LYS HGy 1.0 1.8 4.43 1409 1193 A 91 LYS HA A 98 ILE HG1x 1.0 1.8 4.80 1410 1194 A 91 LYS HGx A 91 LYS HBy 1.0 1.8 4.83 1411 1195 A 91 LYS HA A 91 LYS HBy 1.0 1.8 4.49 1412 1196 A 91 LYS HA A 92 CYS H 1.0 1.8 4.53 1413 1197 A 90 VAL HG1% A 91 LYS HA 1.0 1.8 5.36 1414 1198 A 91 LYS HE3 A 91 LYS HA 1.0 1.8 5.28 1415 1199 A 90 VAL HA A 91 LYS HA 1.0 1.8 4.41 1416 1200 A 91 LYS HA A 91 LYS HBx 1.0 1.8 4.82 1417 1200 A 91 LYS HA A 91 LYS HBy 1.0 1.8 4.82 1418 1201 A 91 LYS HA A 92 CYS H 1.0 1.8 4.21 1419 1202 A 92 CYS H A 92 CYS HBy 1.0 1.8 4.78 1420 1202 A 92 CYS HBx A 92 CYS H 1.0 1.8 4.78 1421 1203 A 92 CYS H A 91 LYS HBy 1.0 1.8 4.32 1422 1204 A 91 LYS HD3 A 92 CYS H 1.0 1.8 4.84 1423 1205 A 90 VAL HG1% A 92 CYS H 1.0 1.8 5.72 1424 1206 A 91 LYS HA A 92 CYS H 1.0 1.8 5.00 1425 1207 A 93 LEU H A 94 GLU H 1.0 1.8 4.38 1426 1208 A 93 LEU H A 92 CYS HBy 1.0 1.8 4.74 1427 1208 A 92 CYS HBx A 93 LEU H 1.0 1.8 4.74 1428 1209 A 93 LEU H A 94 GLU HGx 1.0 1.8 4.82 1429 1210 A 93 LEU HG A 93 LEU H 1.0 1.8 3.91 1430 1211 A 93 LEU HD1% A 93 LEU H 1.0 1.8 5.28 1431 1212 A 93 LEU H A 93 LEU HA 1.0 1.8 4.00 1432 1213 A 76 ALA HA A 93 LEU H 1.0 1.8 4.45 1433 1214 A 75 ASN HBy A 93 LEU H 1.0 1.8 4.98 1434 1215 A 93 LEU HD2% A 93 LEU HBx 1.0 1.8 4.51 1435 1216 A 93 LEU HBy A 93 LEU HD2% 1.0 1.8 4.47 1436 1217 A 93 LEU HBy A 93 LEU HA 1.0 1.8 4.26 1437 1218 A 93 LEU HA A 93 LEU HD2% 1.0 1.8 4.84 1438 1219 A 93 LEU HA A 93 LEU HD2% 1.0 1.8 4.43 1439 1220 A 93 LEU HD1% A 93 LEU HA 1.0 1.8 4.98 1440 1221 A 93 LEU HD1% A 93 LEU HBx 1.0 1.8 4.73 1441 1222 A 75 ASN HA A 93 LEU HD1% 1.0 1.8 4.80 1442 1223 A 93 LEU HBy A 93 LEU HD1% 1.0 1.8 4.54 1443 1224 A 93 LEU HD1% A 93 LEU HG 1.0 1.8 5.20 1444 1225 A 76 ALA HA A 93 LEU HD1% 1.0 1.8 5.24 1445 1226 A 93 LEU HG A 91 LYS HGx 1.0 1.8 4.76 1446 1227 A 75 ASN HBx A 93 LEU HD1% 1.0 1.8 5.69 1447 1228 A 76 ALA H A 93 LEU HD1% 1.0 1.8 5.63 1448 1229 A 93 LEU HD1% A 93 LEU H 1.0 1.8 5.46 1449 1230 A 93 LEU H A 93 LEU HD2% 1.0 1.8 5.38 1450 1231 A 93 LEU HD2% A 96 GLY HA2 1.0 1.8 5.65 1451 1232 A 94 GLU H A 93 LEU HD2% 1.0 1.8 6.11 1452 1233 A 93 LEU H A 92 CYS HA 1.0 1.8 5.00 1453 1234 A 93 LEU H A 92 CYS HBy 1.0 1.8 5.50 1454 1234 A 92 CYS HBx A 93 LEU H 1.0 1.8 5.50 1455 1235 A 93 LEU H A 94 GLU H 1.0 1.8 5.00 1456 1236 A 93 LEU HBy A 94 GLU H 1.0 1.8 4.37 1457 1237 A 93 LEU HG A 94 GLU H 1.0 1.8 4.70 1458 1238 A 93 LEU H A 94 GLU H 1.0 1.8 4.18 1459 1239 A 94 GLU HBy A 94 GLU H 1.0 1.8 4.16 1460 1240 A 94 GLU H A 95 CYS H 1.0 1.8 4.06 1461 1241 A 94 GLU HA A 94 GLU H 1.0 1.8 3.93 1462 1242 A 93 LEU HD1% A 94 GLU H 1.0 1.8 5.75 1463 1243 A 94 GLU HA A 94 GLU HGy 1.0 1.8 4.13 1464 1244 A 68 ALA HB% A 94 GLU HGx 1.0 1.8 5.21 1465 1245 A 93 LEU HBy A 94 GLU HGx 1.0 1.8 4.57 1466 1246 A 94 GLU HA A 94 GLU HGy 1.0 1.8 4.07 1467 1247 A 94 GLU HGy A 37 LYS HBx 1.0 1.8 4.05 1468 1248 A 94 GLU HBx A 94 GLU HGy 1.0 1.8 4.81 1469 1249 A 66 CYS HA A 94 GLU HGx 1.0 1.8 4.28 1470 1250 A 94 GLU HBy A 94 GLU HA 1.0 1.8 4.30 1471 1251 A 94 GLU HA A 94 GLU HGx 1.0 1.8 4.35 1472 1252 A 37 LYS HA A 94 GLU HGx 1.0 1.8 4.32 1473 1253 A 94 GLU HA A 37 LYS HBx 1.0 1.8 4.41 1474 1254 A 94 GLU H A 94 GLU HGx 1.0 1.8 4.63 1475 1255 A 94 GLU HGy A 94 GLU H 1.0 1.8 4.53 1476 1256 A 94 GLU HGx A 95 CYS H 1.0 1.8 4.63 1477 1257 A 66 CYS HA A 94 GLU HGy 1.0 1.8 4.71 1478 1258 A 75 ASN HBy A 94 GLU HGy 1.0 1.8 4.94 1479 1259 A 37 LYS HGx A 94 GLU HA 1.0 1.8 4.77 1480 1260 A 75 ASN HBy A 94 GLU HGx 1.0 1.8 5.07 1481 1261 A 75 ASN HBy A 94 GLU HGy 1.0 1.8 4.99 1482 1262 A 68 ALA HB% A 94 GLU HGy 1.0 1.8 6.95 1483 1263 A 68 ALA HB% A 94 GLU HGy 1.0 1.8 7.00 1484 1264 A 94 GLU H A 95 CYS H 1.0 1.8 5.00 1485 1265 A 94 GLU H A 96 GLY H 1.0 1.8 5.00 1486 1266 A 94 GLU HBy A 95 CYS H 1.0 1.8 4.42 1487 1267 A 94 GLU H A 95 CYS H 1.0 1.8 4.27 1488 1268 A 95 CYS H A 95 CYS HA 1.0 1.8 4.40 1489 1269 A 95 CYS H A 96 GLY HAy 1.0 1.8 4.38 1490 1270 A 95 CYS H A 96 GLY H 1.0 1.8 4.17 1491 1271 A 94 GLU HA A 95 CYS H 1.0 1.8 4.09 1492 1272 A 66 CYS HBy A 95 CYS H 1.0 1.8 4.33 1493 1273 A 94 GLU HGx A 95 CYS H 1.0 1.8 4.72 1494 1274 A 95 CYS HA A 95 CYS HBx 1.0 1.8 3.86 1495 1275 A 95 CYS HBy A 95 CYS HA 1.0 1.8 3.77 1496 1276 A 95 CYS HA A 95 CYS HBx 1.0 1.8 4.11 1497 1277 A 95 CYS HBy A 95 CYS HA 1.0 1.8 4.05 1498 1278 A 95 CYS H A 95 CYS HA 1.0 1.8 4.45 1499 1279 A 66 CYS HA A 95 CYS HA 1.0 1.8 4.78 1500 1280 A 94 GLU HA A 95 CYS H 1.0 1.8 5.00 1501 1281 A 96 GLY H A 95 CYS HA 1.0 1.8 4.22 1502 1282 A 95 CYS H A 96 GLY H 1.0 1.8 3.94 1503 1283 A 96 GLY H A 97 HIS H 1.0 1.8 4.24 1504 1284 A 96 GLY H A 96 GLY HA2 1.0 1.8 3.71 1505 1285 A 96 GLY H A 96 GLY HAy 1.0 1.8 3.89 1506 1286 A 96 GLY H A 95 CYS HBx 1.0 1.8 4.44 1507 1287 A 93 LEU HG A 96 GLY H 1.0 1.8 4.71 1508 1288 A 95 CYS H A 96 GLY HAy 1.0 1.8 5.50 1509 1288 A 95 CYS H A 96 GLY HA2 1.0 1.8 5.50 1510 1289 A 95 CYS H A 96 GLY H 1.0 1.8 5.00 1511 1290 A 96 GLY H A 95 CYS HA 1.0 1.8 5.00 1512 1291 A 96 GLY H A 97 HIS H 1.0 1.8 4.41 1513 1292 A 97 HIS H A 97 HIS HBy 1.0 1.8 3.79 1514 1293 A 97 HIS H A 98 ILE H 1.0 1.8 4.31 1515 1294 A 97 HIS H A 97 HIS HA 1.0 1.8 4.05 1516 1295 A 92 CYS H A 97 HIS H 1.0 1.8 4.17 1517 1296 A 97 HIS H A 92 CYS HBy 1.0 1.8 4.80 1518 1296 A 92 CYS HBx A 97 HIS H 1.0 1.8 4.80 1519 1297 A 97 HIS H A 91 LYS HBx 1.0 1.8 4.95 1520 1298 A 98 ILE H A 97 HIS HA 1.0 1.8 4.15 1521 1299 A 97 HIS HA A 98 ILE HB 1.0 1.8 4.28 1522 1300 A 97 HIS HBy A 97 HIS HA 1.0 1.8 4.08 1523 1301 A 97 HIS HA A 97 HIS HBx 1.0 1.8 4.39 1524 1302 A 91 LYS HBy A 97 HIS HA 1.0 1.8 4.93 1525 1303 A 97 HIS H A 98 ILE H 1.0 1.8 5.00 1526 1304 A 96 GLY H A 97 HIS H 1.0 1.8 5.00 1527 1305 A 98 ILE H A 97 HIS HA 1.0 1.8 3.86 1528 1306 A 97 HIS HBy A 98 ILE H 1.0 1.8 4.21 1529 1307 A 97 HIS H A 98 ILE H 1.0 1.8 4.54 1530 1308 A 98 ILE H A 98 ILE HA 1.0 1.8 4.35 1531 1309 A 99 MET H A 98 ILE H 1.0 1.8 4.35 1532 1310 A 98 ILE H A 98 ILE HB 1.0 1.8 3.92 1533 1311 A 98 ILE H A 98 ILE HG1x 1.0 1.8 4.60 1534 1312 A 98 ILE H A 98 ILE HG2% 1.0 1.8 5.65 1535 1313 A 91 LYS HBy A 98 ILE H 1.0 1.8 4.57 1536 1314 A 98 ILE HA A 98 ILE HD1% 1.0 1.8 5.11 1537 1315 A 98 ILE HB A 98 ILE HD1% 1.0 1.8 4.50 1538 1316 A 98 ILE HB A 98 ILE HG2% 1.0 1.8 4.54 1539 1317 A 98 ILE HA A 98 ILE HG2% 1.0 1.8 4.89 1540 1318 A 91 LYS HA A 98 ILE HA 1.0 1.8 4.11 1541 1319 A 91 LYS HA A 98 ILE HD1% 1.0 1.8 5.70 1542 1320 A 99 MET HA A 98 ILE HG1y 1.0 1.8 4.69 1543 1321 A 99 MET HA A 98 ILE HG2% 1.0 1.8 5.71 1544 1322 A 99 MET HA A 98 ILE HD1% 1.0 1.8 5.48 1545 1323 A 91 LYS HE3 A 98 ILE HD1% 1.0 1.8 5.55 1546 1324 A 100 ARG H A 98 ILE HD1% 1.0 1.8 6.00 1547 1325 A 98 ILE HG1y A 98 ILE HD1% 1.0 1.8 5.92 1548 1325 A 98 ILE HD1% A 98 ILE HG1x 1.0 1.8 5.92 1549 1326 A 99 MET HA A 99 MET H 1.0 1.8 4.08 1550 1327 A 99 MET H A 98 ILE HD1% 1.0 1.8 5.24 1551 1328 A 99 MET HE% A 99 MET HA 1.0 1.8 4.75 1552 1329 A 99 MET HE% A 101 TYR HD% 1.0 1.8 6.70 1553 1330 A 99 MET HE% A 90 VAL H 1.0 1.8 6.50 1554 1331 A 99 MET HE% A 64 LYS HA 1.0 1.8 6.50 1555 1332 A 99 MET H A 90 VAL HG2% 1.0 1.8 6.50 1556 1332 A 99 MET H A 90 VAL HG1% 1.0 1.8 6.50 1557 1333 A 99 MET HE% A 101 TYR HD% 1.0 1.8 7.00 1558 1334 A 99 MET HA A 100 ARG H 1.0 1.8 3.57 1559 1335 A 100 ARG HA A 100 ARG HGx 1.0 1.8 4.80 1560 1336 A 100 ARG HA A 100 ARG HBy 1.0 1.8 6.04 1561 1337 A 101 TYR H A 100 ARG HA 1.0 1.8 4.57 1562 1338 A 89 VAL HG1% A 100 ARG HA 1.0 1.8 5.47 1563 1339 A 100 ARG HD3 A 100 ARG HGx 1.0 1.8 4.74 1564 1339 A 100 ARG HGx A 100 ARG HDx 1.0 1.8 4.74 1565 1340 A 100 ARG HA A 100 ARG HGy 1.0 1.8 4.64 1566 1340 A 100 ARG HA A 100 ARG HGx 1.0 1.8 4.64 1567 1341 A 100 ARG HGx A 100 ARG HBy 1.0 1.8 3.93 1568 1341 A 100 ARG HBy A 100 ARG HGy 1.0 1.8 3.93 1569 1342 A 100 ARG HA A 100 ARG HDx 1.0 1.8 5.19 1570 1342 A 100 ARG HA A 100 ARG HD3 1.0 1.8 5.19 1571 1343 A 101 TYR H A 100 ARG HA 1.0 1.8 4.32 1572 1344 A 101 TYR H A 101 TYR HBy 1.0 1.8 4.53 1573 1345 A 101 TYR H A 100 ARG HBx 1.0 1.8 4.72 1574 1345 A 101 TYR H A 100 ARG HBy 1.0 1.8 4.72 1575 1346 A 101 TYR H A 90 VAL HG2% 1.0 1.8 5.82 1576 1347 A 101 TYR HBx A 101 TYR HA 1.0 1.8 4.39 1577 1348 A 101 TYR HA A 101 TYR HBy 1.0 1.8 4.20 1578 1349 A 101 TYR HA A 90 VAL HG2% 1.0 1.8 6.17 1579 1350 A 99 MET HE% A 101 TYR HA 1.0 1.8 6.50 1580 1351 A 103 TYR H A 103 TYR HBy 1.0 1.8 4.17 stop_ save_ save_CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_4 _nef_distance_restraint_list.restraint_origin hbond _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 22 PHE H A 18 ILE O 1.0 1.5 2.3 2 2 A 18 ILE O A 22 PHE N 1.0 2.4 3.3 3 3 A 23 SER H A 19 ASP O 1.0 1.5 2.3 4 4 A 19 ASP O A 23 SER N 1.0 2.4 3.3 5 5 A 25 ALA H A 21 LEU O 1.0 1.5 2.3 6 6 A 21 LEU O A 25 ALA N 1.0 2.4 3.3 7 7 A 26 GLU H A 22 PHE O 1.0 1.5 2.3 8 8 A 22 PHE O A 26 GLU N 1.0 2.4 3.3 9 9 A 27 ARG H A 23 SER O 1.0 1.5 2.3 10 10 A 23 SER O A 27 ARG N 1.0 2.4 3.3 11 11 A 28 VAL H A 24 LEU O 1.0 1.5 2.3 12 12 A 24 LEU O A 28 VAL N 1.0 2.4 3.3 13 13 A 29 PHE H A 25 ALA O 1.0 1.5 2.3 14 14 A 25 ALA O A 29 PHE N 1.0 2.4 3.3 15 15 A 31 TYR H A 27 ARG O 1.0 1.5 2.3 16 16 A 27 ARG O A 31 TYR N 1.0 2.4 3.3 17 17 A 32 SER H A 28 VAL O 1.0 1.5 2.3 18 18 A 28 VAL O A 32 SER N 1.0 2.4 3.3 19 19 A 39 TYR H A 35 LEU O 1.0 1.5 2.3 20 20 A 35 LEU O A 39 TYR N 1.0 2.4 3.3 21 21 A 40 VAL H A 36 ALA O 1.0 1.5 2.3 22 22 A 36 ALA O A 40 VAL N 1.0 2.4 3.3 23 23 A 41 GLU H A 37 LYS O 1.0 1.5 2.3 24 24 A 37 LYS O A 41 GLU N 1.0 2.4 3.3 25 25 A 42 LEU H A 38 ARG O 1.0 1.5 2.3 26 26 A 38 ARG O A 42 LEU N 1.0 2.4 3.3 27 27 A 43 ALA H A 39 TYR O 1.0 1.5 2.3 28 28 A 39 TYR O A 43 ALA N 1.0 2.4 3.3 29 29 A 44 LEU H A 40 VAL O 1.0 1.5 2.3 30 30 A 40 VAL O A 44 LEU N 1.0 2.4 3.3 31 31 A 45 LEU H A 41 GLU O 1.0 1.5 2.3 32 32 A 41 GLU O A 45 LEU N 1.0 2.4 3.3 33 33 A 46 VAL H A 42 LEU O 1.0 1.5 2.3 34 34 A 42 LEU O A 46 VAL N 1.0 2.4 3.3 35 35 A 47 GLN H A 43 ALA O 1.0 1.5 2.3 36 36 A 43 ALA O A 47 GLN N 1.0 2.4 3.3 37 37 A 48 GLN H A 44 LEU O 1.0 1.5 2.3 38 38 A 44 LEU O A 48 GLN N 1.0 2.4 3.3 39 39 A 49 LYS H A 45 LEU O 1.0 1.5 2.3 40 40 A 45 LEU O A 49 LYS N 1.0 2.4 3.3 41 41 A 50 ALA H A 46 VAL O 1.0 1.5 2.3 42 42 A 46 VAL O A 50 ALA N 1.0 2.4 3.3 43 43 A 91 LYS H A 77 ARG O 1.0 1.5 2.3 44 44 A 77 ARG O A 91 LYS N 1.0 2.4 3.3 45 45 A 89 VAL H A 79 ARG O 1.0 1.5 2.3 46 46 A 79 ARG O A 89 VAL N 1.0 2.4 3.3 47 47 A 87 HIS H A 81 ARG O 1.0 1.5 2.3 48 48 A 81 ARG O A 87 HIS N 1.0 2.4 3.3 49 49 A 86 PRO O A 103 TYR N 1.0 2.4 3.3 50 50 A 81 ARG H A 87 HIS O 1.0 1.5 2.3 51 51 A 87 HIS O A 81 ARG N 1.0 2.4 3.3 52 52 A 101 TYR H A 88 ILE O 1.0 1.5 2.3 53 53 A 88 ILE O A 101 TYR N 1.0 2.4 3.3 54 54 A 79 ARG H A 89 VAL O 1.0 1.5 2.3 55 55 A 89 VAL O A 79 ARG N 1.0 2.4 3.3 56 56 A 99 MET H A 90 VAL O 1.0 1.5 2.3 57 57 A 90 VAL O A 99 MET N 1.0 2.4 3.3 58 58 A 77 ARG H A 91 LYS O 1.0 1.5 2.3 59 59 A 91 LYS O A 77 ARG N 1.0 2.4 3.3 60 60 A 97 HIS H A 92 CYS O 1.0 1.5 2.3 61 61 A 92 CYS O A 97 HIS N 1.0 2.4 3.3 62 62 A 92 CYS H A 97 HIS O 1.0 1.5 2.3 63 63 A 97 HIS O A 92 CYS N 1.0 2.4 3.3 64 64 A 90 VAL H A 99 MET O 1.0 1.5 2.3 65 65 A 99 MET O A 90 VAL N 1.0 2.4 3.3 66 66 A 88 ILE H A 101 TYR O 1.0 1.5 2.3 67 67 A 101 TYR O A 88 ILE N 1.0 2.4 3.3 68 68 A 103 TYR O A 86 PRO N 1.0 2.4 3.3 stop_ save_ save_CNS/XPLOR_dipolar_coupling_2 _nef_rdc_restraint_list.sf_category nef_rdc_restraint_list _nef_rdc_restraint_list.sf_framecode CNS/XPLOR_dipolar_coupling_2 save_