data_nef_c15258_2jpq 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_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 . . . 2 A 2 PRO . . . 3 A 3 ILE . . . 4 A 4 THR . . . 5 A 5 SER . . . 6 A 6 LYS . . . 7 A 7 TYR . . . 8 A 8 THR . . . 9 A 9 ASP . . . 10 A 10 GLU . . . 11 A 11 GLN . . . 12 A 12 VAL . . . 13 A 13 GLU . . . 14 A 14 LYS . . . 15 A 15 ILE . . . 16 A 16 LEU . . . 17 A 17 ALA . . . 18 A 18 GLU . . . 19 A 19 VAL . . . 20 A 20 ALA . . . 21 A 21 LEU . . . 22 A 22 VAL . . . 23 A 23 LEU . . . 24 A 24 GLU . . . 25 A 25 LYS . . . 26 A 26 HIS . . . 27 A 27 ALA . . . 28 A 28 ALA . . . 29 A 29 SER . . . 30 A 30 PRO . . . 31 A 31 GLU . . . 32 A 32 LEU . . . 33 A 33 THR . . . 34 A 34 LEU . . . 35 A 35 MET . . . 36 A 36 ILE . . . 37 A 37 ALA . . . 38 A 38 GLY . . . 39 A 39 ASN . . . 40 A 40 ILE . . . 41 A 41 ALA . . . 42 A 42 THR . . . 43 A 43 ASN . . . 44 A 44 VAL . . . 45 A 45 LEU . . . 46 A 46 ASN . . . 47 A 47 GLN . . . 48 A 48 ARG . . . 49 A 49 VAL . . . 50 A 50 ALA . . . 51 A 51 ALA . . . 52 A 52 SER . . . 53 A 53 GLN . . . 54 A 54 ARG . . . 55 A 55 LYS . . . 56 A 56 LEU . . . 57 A 57 ILE . . . 58 A 58 ALA . . . 59 A 59 GLU . . . 60 A 60 LYS . . . 61 A 61 PHE . . . 62 A 62 ALA . . . 63 A 63 GLN . . . 64 A 64 ALA . . . 65 A 65 LEU . . . 66 A 66 MET . . . 67 A 67 SER . . . 68 A 68 SER . . . 69 A 69 LEU . . . 70 A 70 GLU . . . 71 A 71 THR . . . 72 A 72 PRO . . . 73 A 73 LYS . . . 74 A 74 THR . . . 75 A 75 HIS . . . 76 A 76 LEU . . . 77 A 77 GLU . . . 78 A 78 HIS . . . 79 A 79 HIS . . . 80 A 80 HIS . . . 81 A 81 HIS . . . 82 A 82 HIS . . . 83 A 83 HIS . . . 84 B 1 MET . . . 85 B 2 PRO . . . 86 B 3 ILE . . . 87 B 4 THR . . . 88 B 5 SER . . . 89 B 6 LYS . . . 90 B 7 TYR . . . 91 B 8 THR . . . 92 B 9 ASP . . . 93 B 10 GLU . . . 94 B 11 GLN . . . 95 B 12 VAL . . . 96 B 13 GLU . . . 97 B 14 LYS . . . 98 B 15 ILE . . . 99 B 16 LEU . . . 100 B 17 ALA . . . 101 B 18 GLU . . . 102 B 19 VAL . . . 103 B 20 ALA . . . 104 B 21 LEU . . . 105 B 22 VAL . . . 106 B 23 LEU . . . 107 B 24 GLU . . . 108 B 25 LYS . . . 109 B 26 HIS . . . 110 B 27 ALA . . . 111 B 28 ALA . . . 112 B 29 SER . . . 113 B 30 PRO . . . 114 B 31 GLU . . . 115 B 32 LEU . . . 116 B 33 THR . . . 117 B 34 LEU . . . 118 B 35 MET . . . 119 B 36 ILE . . . 120 B 37 ALA . . . 121 B 38 GLY . . . 122 B 39 ASN . . . 123 B 40 ILE . . . 124 B 41 ALA . . . 125 B 42 THR . . . 126 B 43 ASN . . . 127 B 44 VAL . . . 128 B 45 LEU . . . 129 B 46 ASN . . . 130 B 47 GLN . . . 131 B 48 ARG . . . 132 B 49 VAL . . . 133 B 50 ALA . . . 134 B 51 ALA . . . 135 B 52 SER . . . 136 B 53 GLN . . . 137 B 54 ARG . . . 138 B 55 LYS . . . 139 B 56 LEU . . . 140 B 57 ILE . . . 141 B 58 ALA . . . 142 B 59 GLU . . . 143 B 60 LYS . . . 144 B 61 PHE . . . 145 B 62 ALA . . . 146 B 63 GLN . . . 147 B 64 ALA . . . 148 B 65 LEU . . . 149 B 66 MET . . . 150 B 67 SER . . . 151 B 68 SER . . . 152 B 69 LEU . . . 153 B 70 GLU . . . 154 B 71 THR . . . 155 B 72 PRO . . . 156 B 73 LYS . . . 157 B 74 THR . . . 158 B 75 HIS . . . 159 B 76 LEU . . . 160 B 77 GLU . . . 161 B 78 HIS . . . 162 B 79 HIS . . . 163 B 80 HIS . . . 164 B 81 HIS . . . 165 B 82 HIS . . . 166 B 83 HIS . . . 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 2 PRO HA H 1 4.42 0.02 A 2 PRO HBx H 1 2.00 0.02 A 2 PRO HBy H 1 2.43 0.02 A 2 PRO HDx H 1 3.35 0.02 A 2 PRO HDy H 1 3.41 0.02 A 2 PRO HGx H 1 1.97 0.02 A 2 PRO HGy H 1 2.03 0.02 A 2 PRO C C 13 172.6 0.2 A 2 PRO CA C 13 62.3 0.2 A 2 PRO CB C 13 32.7 0.2 A 2 PRO CD C 13 49.3 0.2 A 2 PRO CG C 13 26.4 0.2 A 3 ILE H H 1 8.72 0.02 A 3 ILE HA H 1 4.24 0.02 A 3 ILE HB H 1 1.85 0.02 A 3 ILE HD1% H 1 0.85 0.02 A 3 ILE HG1y H 1 1.48 0.02 A 3 ILE HG1x H 1 1.18 0.02 A 3 ILE HG2% H 1 0.90 0.02 A 3 ILE C C 13 176.2 0.2 A 3 ILE CA C 13 61.8 0.2 A 3 ILE CB C 13 38.7 0.2 A 3 ILE CD1 C 13 13.0 0.2 A 3 ILE CG1 C 13 27.3 0.2 A 3 ILE CG2 C 13 17.5 0.2 A 3 ILE N N 15 120.7 0.2 A 4 THR H H 1 8.31 0.02 A 4 THR HA H 1 4.40 0.02 A 4 THR HB H 1 4.20 0.02 A 4 THR HG2% H 1 1.17 0.02 A 4 THR C C 13 174.2 0.2 A 4 THR CA C 13 61.5 0.2 A 4 THR CB C 13 69.9 0.2 A 4 THR CG2 C 13 21.6 0.2 A 4 THR N N 15 118.5 0.2 A 5 SER H H 1 8.38 0.02 A 5 SER HA H 1 4.44 0.02 A 5 SER HBy H 1 3.86 0.02 A 5 SER HBx H 1 3.79 0.02 A 5 SER C C 13 174.2 0.2 A 5 SER CA C 13 58.2 0.2 A 5 SER CB C 13 64.0 0.2 A 5 SER N N 15 118.7 0.2 A 6 LYS H H 1 8.33 0.02 A 6 LYS HA H 1 4.21 0.02 A 6 LYS HBx H 1 1.62 0.02 A 6 LYS HBy H 1 1.65 0.02 A 6 LYS HDx H 1 1.59 0.02 A 6 LYS HDy H 1 1.61 0.02 A 6 LYS HEx H 1 2.91 0.02 A 6 LYS HEy H 1 2.91 0.02 A 6 LYS HGx H 1 1.24 0.02 A 6 LYS HGy H 1 1.25 0.02 A 6 LYS C C 13 176.1 0.2 A 6 LYS CA C 13 56.7 0.2 A 6 LYS CB C 13 33.1 0.2 A 6 LYS CD C 13 28.8 0.2 A 6 LYS CE C 13 42.1 0.2 A 6 LYS CG C 13 24.6 0.2 A 6 LYS N N 15 123.1 0.2 A 7 TYR H H 1 7.98 0.02 A 7 TYR HA H 1 4.75 0.02 A 7 TYR HBx H 1 2.82 0.02 A 7 TYR HBy H 1 3.01 0.02 A 7 TYR HDx H 1 7.04 0.02 A 7 TYR HDy H 1 7.04 0.02 A 7 TYR HEx H 1 6.78 0.02 A 7 TYR HEy H 1 6.78 0.02 A 7 TYR C C 13 176.2 0.2 A 7 TYR CA C 13 57.5 0.2 A 7 TYR CB C 13 39.5 0.2 A 7 TYR CDx C 13 133.4 0.02 A 7 TYR CDy C 13 133.4 0.02 A 7 TYR CEx C 13 118.2 0.02 A 7 TYR CEy C 13 118.2 0.02 A 7 TYR N N 15 119.7 0.2 A 8 THR H H 1 8.35 0.02 A 8 THR HA H 1 4.33 0.02 A 8 THR HB H 1 4.47 0.02 A 8 THR HG2% H 1 1.23 0.02 A 8 THR C C 13 174.9 0.2 A 8 THR CA C 13 61.6 0.2 A 8 THR CB C 13 70.3 0.2 A 8 THR CG2 C 13 21.7 0.2 A 8 THR N N 15 114.3 0.2 A 9 ASP H H 1 8.61 0.02 A 9 ASP HA H 1 4.39 0.02 A 9 ASP HBx H 1 2.64 0.02 A 9 ASP HBy H 1 2.70 0.02 A 9 ASP C C 13 178.1 0.2 A 9 ASP CA C 13 56.7 0.2 A 9 ASP CB C 13 40.3 0.2 A 9 ASP N N 15 121.9 0.2 A 10 GLU H H 1 8.54 0.02 A 10 GLU HA H 1 4.04 0.02 A 10 GLU HBx H 1 1.96 0.02 A 10 GLU HBy H 1 2.04 0.02 A 10 GLU HGx H 1 2.25 0.02 A 10 GLU HGy H 1 2.34 0.02 A 10 GLU C C 13 178.4 0.2 A 10 GLU CA C 13 59.4 0.2 A 10 GLU CB C 13 29.3 0.2 A 10 GLU CG C 13 36.3 0.2 A 10 GLU N N 15 120.2 0.2 A 11 GLN H H 1 7.98 0.02 A 11 GLN HA H 1 4.02 0.02 A 11 GLN HBx H 1 2.07 0.02 A 11 GLN HBy H 1 2.31 0.02 A 11 GLN HE21 H 1 7.57 0.02 A 11 GLN HE22 H 1 7.01 0.02 A 11 GLN HGx H 1 2.34 0.02 A 11 GLN HGy H 1 2.44 0.02 A 11 GLN C C 13 178.4 0.2 A 11 GLN CA C 13 59.4 0.2 A 11 GLN CB C 13 28.9 0.2 A 11 GLN CG C 13 34.4 0.2 A 11 GLN N N 15 119.3 0.2 A 11 GLN NE2 N 15 111.9 0.2 A 12 VAL H H 1 7.98 0.02 A 12 VAL HA H 1 3.29 0.02 A 12 VAL HB H 1 2.14 0.02 A 12 VAL HGx% H 1 0.77 0.02 A 12 VAL HGy% H 1 0.95 0.02 A 12 VAL C C 13 177.3 0.2 A 12 VAL CA C 13 67.2 0.2 A 12 VAL CB C 13 31.8 0.2 A 12 VAL CGx C 13 21.1 0.02 A 12 VAL CGy C 13 23.4 0.02 A 12 VAL N N 15 119.3 0.2 A 13 GLU H H 1 8.18 0.02 A 13 GLU HA H 1 3.83 0.02 A 13 GLU HBx H 1 2.03 0.02 A 13 GLU HBy H 1 2.03 0.02 A 13 GLU HGx H 1 2.28 0.02 A 13 GLU HGy H 1 2.37 0.02 A 13 GLU C C 13 179.5 0.2 A 13 GLU CA C 13 59.6 0.2 A 13 GLU CB C 13 29.1 0.2 A 13 GLU CG C 13 35.6 0.2 A 13 GLU N N 15 117.7 0.2 A 14 LYS H H 1 7.83 0.02 A 14 LYS HA H 1 4.05 0.02 A 14 LYS HBx H 1 1.85 0.02 A 14 LYS HBy H 1 1.85 0.02 A 14 LYS HDx H 1 1.68 0.02 A 14 LYS HDy H 1 1.68 0.02 A 14 LYS HEx H 1 2.96 0.02 A 14 LYS HEy H 1 2.96 0.02 A 14 LYS HGx H 1 1.46 0.02 A 14 LYS HGy H 1 1.58 0.02 A 14 LYS C C 13 179.0 0.2 A 14 LYS CA C 13 59.3 0.2 A 14 LYS CB C 13 32.3 0.2 A 14 LYS CD C 13 29.1 0.2 A 14 LYS CE C 13 42.1 0.2 A 14 LYS CG C 13 25.3 0.2 A 14 LYS N N 15 119.3 0.2 A 15 ILE H H 1 7.75 0.02 A 15 ILE HA H 1 3.26 0.02 A 15 ILE HB H 1 1.61 0.02 A 15 ILE HD1% H 1 0.55 0.02 A 15 ILE HG1x H 1 -0.30 0.02 A 15 ILE HG1y H 1 1.45 0.02 A 15 ILE HG2% H 1 0.62 0.02 A 15 ILE C C 13 178.0 0.2 A 15 ILE CA C 13 65.6 0.2 A 15 ILE CB C 13 37.8 0.2 A 15 ILE CD1 C 13 14.4 0.2 A 15 ILE CG1 C 13 28.4 0.2 A 15 ILE CG2 C 13 17.9 0.2 A 15 ILE N N 15 119.3 0.2 A 16 LEU H H 1 8.57 0.02 A 16 LEU HA H 1 3.80 0.02 A 16 LEU HBx H 1 1.53 0.02 A 16 LEU HBy H 1 1.72 0.02 A 16 LEU HDx% H 1 0.78 0.02 A 16 LEU HDy% H 1 0.81 0.02 A 16 LEU HG H 1 1.67 0.02 A 16 LEU C C 13 179.2 0.2 A 16 LEU CA C 13 58.5 0.2 A 16 LEU CB C 13 41.4 0.2 A 16 LEU CDy C 13 26.0 0.02 A 16 LEU CDx C 13 24.6 0.02 A 16 LEU CG C 13 27.0 0.2 A 16 LEU N N 15 119.7 0.2 A 17 ALA H H 1 7.94 0.02 A 17 ALA HA H 1 4.14 0.02 A 17 ALA HB% H 1 1.50 0.02 A 17 ALA C C 13 180.6 0.2 A 17 ALA CA C 13 55.0 0.2 A 17 ALA CB C 13 17.8 0.2 A 17 ALA N N 15 121.0 0.2 A 18 GLU H H 1 7.78 0.02 A 18 GLU HA H 1 4.06 0.02 A 18 GLU HBx H 1 2.11 0.02 A 18 GLU HBy H 1 2.29 0.02 A 18 GLU HGx H 1 2.29 0.02 A 18 GLU HGy H 1 2.63 0.02 A 18 GLU C C 13 180.2 0.2 A 18 GLU CA C 13 59.8 0.2 A 18 GLU CB C 13 30.5 0.2 A 18 GLU CG C 13 37.0 0.2 A 18 GLU N N 15 119.4 0.2 A 19 VAL H H 1 8.58 0.02 A 19 VAL HA H 1 3.51 0.02 A 19 VAL HB H 1 2.17 0.02 A 19 VAL HGx% H 1 0.85 0.02 A 19 VAL HGy% H 1 1.00 0.02 A 19 VAL C C 13 177.4 0.2 A 19 VAL CA C 13 67.4 0.2 A 19 VAL CB C 13 31.5 0.2 A 19 VAL CGx C 13 21.5 0.02 A 19 VAL CGy C 13 23.6 0.02 A 19 VAL N N 15 120.5 0.2 A 20 ALA H H 1 8.70 0.02 A 20 ALA HA H 1 3.99 0.02 A 20 ALA HB% H 1 1.50 0.02 A 20 ALA C C 13 180.3 0.2 A 20 ALA CA C 13 55.5 0.2 A 20 ALA CB C 13 17.7 0.2 A 20 ALA N N 15 122.0 0.2 A 21 LEU H H 1 7.54 0.02 A 21 LEU HA H 1 4.14 0.02 A 21 LEU HBx H 1 1.67 0.02 A 21 LEU HBy H 1 1.87 0.02 A 21 LEU HDx% H 1 0.94 0.02 A 21 LEU HDy% H 1 0.90 0.02 A 21 LEU HG H 1 1.80 0.02 A 21 LEU C C 13 179.6 0.2 A 21 LEU CA C 13 58.1 0.2 A 21 LEU CB C 13 41.9 0.2 A 21 LEU CDy C 13 24.8 0.02 A 21 LEU CDx C 13 23.8 0.02 A 21 LEU CG C 13 26.8 0.2 A 21 LEU N N 15 117.6 0.2 A 22 VAL H H 1 7.40 0.02 A 22 VAL HA H 1 3.65 0.02 A 22 VAL HB H 1 2.42 0.02 A 22 VAL HGx% H 1 1.06 0.02 A 22 VAL HGy% H 1 1.12 0.02 A 22 VAL C C 13 178.4 0.2 A 22 VAL CA C 13 66.7 0.2 A 22 VAL CB C 13 31.9 0.2 A 22 VAL CGy C 13 23.0 0.02 A 22 VAL CGx C 13 22.2 0.02 A 22 VAL N N 15 120.1 0.2 A 23 LEU H H 1 7.78 0.02 A 23 LEU HA H 1 3.80 0.02 A 23 LEU HBx H 1 1.49 0.02 A 23 LEU HBy H 1 1.97 0.02 A 23 LEU HDx% H 1 0.85 0.02 A 23 LEU HDy% H 1 0.70 0.02 A 23 LEU HG H 1 1.73 0.02 A 23 LEU C C 13 179.4 0.2 A 23 LEU CA C 13 58.5 0.2 A 23 LEU CB C 13 40.5 0.2 A 23 LEU CDy C 13 26.2 0.02 A 23 LEU CDx C 13 22.8 0.02 A 23 LEU CG C 13 27.4 0.2 A 23 LEU N N 15 118.3 0.2 A 24 GLU H H 1 8.53 0.02 A 24 GLU HA H 1 4.12 0.02 A 24 GLU HBx H 1 2.11 0.02 A 24 GLU HBy H 1 2.11 0.02 A 24 GLU HGx H 1 2.24 0.02 A 24 GLU HGy H 1 2.37 0.02 A 24 GLU C C 13 180.9 0.2 A 24 GLU CA C 13 59.1 0.2 A 24 GLU CB C 13 29.6 0.2 A 24 GLU CG C 13 36.0 0.2 A 24 GLU N N 15 119.5 0.2 A 25 LYS H H 1 8.38 0.02 A 25 LYS HA H 1 4.04 0.02 A 25 LYS HBx H 1 1.80 0.02 A 25 LYS HBy H 1 1.95 0.02 A 25 LYS HDx H 1 1.59 0.02 A 25 LYS HDy H 1 1.59 0.02 A 25 LYS HEx H 1 2.84 0.02 A 25 LYS HEy H 1 2.84 0.02 A 25 LYS HGx H 1 1.21 0.02 A 25 LYS HGy H 1 1.37 0.02 A 25 LYS C C 13 178.0 0.2 A 25 LYS CA C 13 59.1 0.2 A 25 LYS CB C 13 31.8 0.2 A 25 LYS CD C 13 29.3 0.2 A 25 LYS CE C 13 42.1 0.2 A 25 LYS CG C 13 24.8 0.2 A 25 LYS N N 15 122.2 0.2 A 26 HIS H H 1 7.23 0.02 A 26 HIS HA H 1 4.54 0.02 A 26 HIS HBx H 1 2.71 0.02 A 26 HIS HBy H 1 3.46 0.02 A 26 HIS HD2 H 1 7.71 0.02 A 26 HIS C C 13 172.7 0.2 A 26 HIS CA C 13 55.9 0.2 A 26 HIS CB C 13 29.4 0.2 A 26 HIS CD2 C 13 121.7 0.2 A 26 HIS N N 15 113.8 0.2 A 27 ALA H H 1 8.21 0.02 A 27 ALA HA H 1 4.06 0.02 A 27 ALA HB% H 1 1.36 0.02 A 27 ALA C C 13 177.1 0.2 A 27 ALA CA C 13 52.3 0.2 A 27 ALA CB C 13 16.5 0.2 A 27 ALA N N 15 124.3 0.2 A 28 ALA H H 1 7.70 0.02 A 28 ALA HA H 1 4.09 0.02 A 28 ALA HB% H 1 1.19 0.02 A 28 ALA C C 13 178.1 0.2 A 28 ALA CA C 13 53.6 0.2 A 28 ALA CB C 13 19.8 0.2 A 28 ALA N N 15 119.3 0.2 A 29 SER H H 1 8.34 0.02 A 29 SER HA H 1 4.78 0.02 A 29 SER HBy H 1 4.56 0.02 A 29 SER HBx H 1 4.22 0.02 A 29 SER CA C 13 56.4 0.2 A 29 SER CB C 13 62.9 0.2 A 29 SER N N 15 120.2 0.2 A 30 PRO HA H 1 4.03 0.02 A 30 PRO HBx H 1 1.88 0.02 A 30 PRO HBy H 1 1.95 0.02 A 30 PRO HDy H 1 4.03 0.02 A 30 PRO HDx H 1 3.98 0.02 A 30 PRO HGx H 1 1.78 0.02 A 30 PRO HGy H 1 2.32 0.02 A 30 PRO C C 13 177.6 0.2 A 30 PRO CA C 13 66.5 0.2 A 30 PRO CB C 13 31.5 0.2 A 30 PRO CD C 13 50.7 0.2 A 30 PRO CG C 13 28.6 0.2 A 31 GLU H H 1 8.90 0.02 A 31 GLU HA H 1 3.88 0.02 A 31 GLU HBx H 1 1.94 0.02 A 31 GLU HBy H 1 2.12 0.02 A 31 GLU HGx H 1 2.28 0.02 A 31 GLU HGy H 1 2.44 0.02 A 31 GLU C C 13 179.5 0.2 A 31 GLU CA C 13 60.6 0.2 A 31 GLU CB C 13 29.0 0.2 A 31 GLU CG C 13 37.0 0.2 A 31 GLU N N 15 116.1 0.2 A 32 LEU H H 1 8.01 0.02 A 32 LEU HA H 1 4.03 0.02 A 32 LEU HBx H 1 1.41 0.02 A 32 LEU HBy H 1 1.71 0.02 A 32 LEU HDx% H 1 0.71 0.02 A 32 LEU HDy% H 1 0.69 0.02 A 32 LEU HG H 1 1.34 0.02 A 32 LEU C C 13 178.4 0.2 A 32 LEU CA C 13 57.6 0.2 A 32 LEU CB C 13 41.1 0.2 A 32 LEU CDx C 13 23.9 0.02 A 32 LEU CDy C 13 25.6 0.02 A 32 LEU CG C 13 27.2 0.2 A 32 LEU N N 15 122.4 0.2 A 33 THR H H 1 8.48 0.02 A 33 THR HA H 1 3.48 0.02 A 33 THR HB H 1 4.26 0.02 A 33 THR HG2% H 1 0.98 0.02 A 33 THR C C 13 175.9 0.2 A 33 THR CA C 13 68.2 0.2 A 33 THR CB C 13 67.9 0.2 A 33 THR CG2 C 13 22.2 0.2 A 33 THR N N 15 116.1 0.2 A 34 LEU H H 1 8.09 0.02 A 34 LEU HA H 1 3.94 0.02 A 34 LEU HBx H 1 1.65 0.02 A 34 LEU HBy H 1 1.78 0.02 A 34 LEU HDx% H 1 0.55 0.02 A 34 LEU HDy% H 1 0.51 0.02 A 34 LEU HG H 1 1.64 0.02 A 34 LEU C C 13 179.0 0.2 A 34 LEU CA C 13 58.3 0.2 A 34 LEU CB C 13 41.5 0.2 A 34 LEU CDy C 13 24.9 0.02 A 34 LEU CDx C 13 23.7 0.02 A 34 LEU CG C 13 27.0 0.2 A 34 LEU N N 15 120.4 0.2 A 35 MET H H 1 7.88 0.02 A 35 MET HA H 1 4.17 0.02 A 35 MET HBx H 1 2.19 0.02 A 35 MET HBy H 1 2.29 0.02 A 35 MET HE% H 1 2.02 0.02 A 35 MET HGx H 1 2.45 0.02 A 35 MET HGy H 1 2.66 0.02 A 35 MET C C 13 179.4 0.2 A 35 MET CA C 13 59.2 0.2 A 35 MET CB C 13 32.5 0.2 A 35 MET CE C 13 17.2 0.2 A 35 MET CG C 13 31.9 0.2 A 35 MET N N 15 120.5 0.2 A 36 ILE H H 1 8.53 0.02 A 36 ILE HA H 1 3.66 0.02 A 36 ILE HB H 1 2.25 0.02 A 36 ILE HD1% H 1 0.67 0.02 A 36 ILE HG1x H 1 1.44 0.02 A 36 ILE HG1y H 1 1.49 0.02 A 36 ILE HG2% H 1 0.82 0.02 A 36 ILE C C 13 177.3 0.2 A 36 ILE CA C 13 63.9 0.2 A 36 ILE CB C 13 36.2 0.2 A 36 ILE CD1 C 13 12.5 0.2 A 36 ILE CG1 C 13 28.2 0.2 A 36 ILE CG2 C 13 16.7 0.2 A 36 ILE N N 15 120.9 0.2 A 37 ALA H H 1 8.51 0.02 A 37 ALA HA H 1 3.95 0.02 A 37 ALA HB% H 1 1.69 0.02 A 37 ALA C C 13 179.5 0.2 A 37 ALA CA C 13 56.1 0.2 A 37 ALA CB C 13 17.6 0.2 A 37 ALA N N 15 121.8 0.2 A 38 GLY H H 1 8.72 0.02 A 38 GLY HAx H 1 3.54 0.02 A 38 GLY HAy H 1 3.85 0.02 A 38 GLY C C 13 175.1 0.2 A 38 GLY CA C 13 47.8 0.2 A 38 GLY N N 15 103.2 0.2 A 39 ASN H H 1 8.34 0.02 A 39 ASN HA H 1 4.30 0.02 A 39 ASN HBx H 1 2.59 0.02 A 39 ASN HBy H 1 2.83 0.02 A 39 ASN HD21 H 1 7.08 0.02 A 39 ASN HD22 H 1 7.00 0.02 A 39 ASN C C 13 174.4 0.2 A 39 ASN CA C 13 56.7 0.2 A 39 ASN CB C 13 39.8 0.2 A 39 ASN N N 15 121.5 0.2 A 39 ASN ND2 N 15 110.3 0.2 A 40 ILE H H 1 8.46 0.02 A 40 ILE HA H 1 3.63 0.02 A 40 ILE HB H 1 1.87 0.02 A 40 ILE HD1% H 1 0.67 0.02 A 40 ILE HG1x H 1 1.02 0.02 A 40 ILE HG1y H 1 1.80 0.02 A 40 ILE HG2% H 1 0.70 0.02 A 40 ILE C C 13 178.2 0.2 A 40 ILE CA C 13 65.0 0.2 A 40 ILE CB C 13 38.0 0.2 A 40 ILE CD1 C 13 13.7 0.2 A 40 ILE CG1 C 13 28.1 0.2 A 40 ILE CG2 C 13 17.9 0.2 A 40 ILE N N 15 119.5 0.2 A 41 ALA H H 1 7.70 0.02 A 41 ALA HA H 1 3.67 0.02 A 41 ALA HB% H 1 0.96 0.02 A 41 ALA C C 13 178.1 0.2 A 41 ALA CA C 13 55.3 0.2 A 41 ALA CB C 13 17.8 0.2 A 41 ALA N N 15 120.8 0.2 A 42 THR H H 1 8.85 0.02 A 42 THR HA H 1 3.31 0.02 A 42 THR HB H 1 3.94 0.02 A 42 THR HG2% H 1 1.11 0.02 A 42 THR C C 13 175.4 0.2 A 42 THR CA C 13 68.1 0.2 A 42 THR CB C 13 69.0 0.2 A 42 THR CG2 C 13 21.7 0.2 A 42 THR N N 15 115.4 0.2 A 43 ASN H H 1 7.99 0.02 A 43 ASN HA H 1 4.37 0.02 A 43 ASN HBx H 1 2.65 0.02 A 43 ASN HBy H 1 2.88 0.02 A 43 ASN HD21 H 1 7.58 0.02 A 43 ASN HD22 H 1 6.89 0.02 A 43 ASN C C 13 177.6 0.2 A 43 ASN CA C 13 56.6 0.2 A 43 ASN CB C 13 37.7 0.2 A 43 ASN N N 15 117.9 0.2 A 43 ASN ND2 N 15 111.6 0.2 A 44 VAL H H 1 7.95 0.02 A 44 VAL HA H 1 3.67 0.02 A 44 VAL HB H 1 2.04 0.02 A 44 VAL HGx% H 1 0.89 0.02 A 44 VAL HGy% H 1 1.03 0.02 A 44 VAL C C 13 178.0 0.2 A 44 VAL CA C 13 66.3 0.2 A 44 VAL CB C 13 31.4 0.2 A 44 VAL CGx C 13 22.2 0.02 A 44 VAL CGy C 13 24.0 0.02 A 44 VAL N N 15 119.4 0.2 A 45 LEU H H 1 8.07 0.02 A 45 LEU HA H 1 3.78 0.02 A 45 LEU HBx H 1 0.99 0.02 A 45 LEU HBy H 1 1.83 0.02 A 45 LEU HDx% H 1 0.59 0.02 A 45 LEU HDy% H 1 0.82 0.02 A 45 LEU HG H 1 1.57 0.02 A 45 LEU C C 13 177.8 0.2 A 45 LEU CA C 13 58.2 0.2 A 45 LEU CB C 13 41.9 0.2 A 45 LEU CDy C 13 25.8 0.02 A 45 LEU CDx C 13 24.0 0.02 A 45 LEU CG C 13 28.0 0.2 A 45 LEU N N 15 120.6 0.2 A 46 ASN H H 1 8.32 0.02 A 46 ASN HA H 1 4.64 0.02 A 46 ASN HBx H 1 2.66 0.02 A 46 ASN HBy H 1 2.88 0.02 A 46 ASN HD2y H 1 7.29 0.02 A 46 ASN HD2x H 1 6.85 0.02 A 46 ASN C C 13 177.5 0.2 A 46 ASN CA C 13 54.7 0.2 A 46 ASN CB C 13 38.6 0.2 A 46 ASN N N 15 112.6 0.2 A 46 ASN ND2 N 15 109.1 0.2 A 47 GLN H H 1 8.15 0.02 A 47 GLN HA H 1 4.50 0.02 A 47 GLN HBx H 1 2.06 0.02 A 47 GLN HBy H 1 2.15 0.02 A 47 GLN HE21 H 1 7.47 0.02 A 47 GLN HE22 H 1 6.77 0.02 A 47 GLN HGx H 1 2.34 0.02 A 47 GLN HGy H 1 2.47 0.02 A 47 GLN C C 13 178.2 0.2 A 47 GLN CA C 13 57.1 0.2 A 47 GLN CB C 13 30.2 0.2 A 47 GLN CG C 13 34.1 0.2 A 47 GLN N N 15 114.0 0.2 A 47 GLN NE2 N 15 111.2 0.2 A 48 ARG H H 1 8.31 0.02 A 48 ARG HA H 1 4.70 0.02 A 48 ARG HBx H 1 1.88 0.02 A 48 ARG HBy H 1 2.16 0.02 A 48 ARG HDx H 1 3.07 0.02 A 48 ARG HDy H 1 3.25 0.02 A 48 ARG HE H 1 7.49 0.02 A 48 ARG HGx H 1 1.58 0.02 A 48 ARG HGy H 1 1.71 0.02 A 48 ARG HH1x H 1 6.87 0.02 A 48 ARG HH1y H 1 6.87 0.02 A 48 ARG HH2x H 1 6.73 0.02 A 48 ARG HH2y H 1 6.73 0.02 A 48 ARG C C 13 175.1 0.2 A 48 ARG CA C 13 55.3 0.2 A 48 ARG CB C 13 31.9 0.2 A 48 ARG CD C 13 43.4 0.2 A 48 ARG CG C 13 26.6 0.2 A 48 ARG N N 15 114.5 0.2 A 48 ARG NE N 15 84.8 0.2 A 49 VAL H H 1 7.04 0.02 A 49 VAL HA H 1 4.17 0.02 A 49 VAL HB H 1 2.56 0.02 A 49 VAL HGx% H 1 1.01 0.02 A 49 VAL HGy% H 1 0.88 0.02 A 49 VAL C C 13 174.4 0.2 A 49 VAL CA C 13 61.3 0.2 A 49 VAL CB C 13 32.9 0.2 A 49 VAL CGx C 13 21.7 0.02 A 49 VAL CGy C 13 21.7 0.02 A 49 VAL N N 15 119.9 0.2 A 50 ALA H H 1 8.66 0.02 A 50 ALA HA H 1 4.15 0.02 A 50 ALA HB% H 1 1.44 0.02 A 50 ALA C C 13 179.2 0.2 A 50 ALA CA C 13 52.7 0.2 A 50 ALA CB C 13 18.8 0.2 A 50 ALA N N 15 130.1 0.2 A 51 ALA H H 1 8.96 0.02 A 51 ALA HA H 1 3.80 0.02 A 51 ALA HB% H 1 1.49 0.02 A 51 ALA C C 13 179.7 0.2 A 51 ALA CA C 13 56.0 0.2 A 51 ALA CB C 13 18.5 0.2 A 51 ALA N N 15 125.6 0.2 A 52 SER H H 1 8.56 0.02 A 52 SER HA H 1 4.22 0.02 A 52 SER HBx H 1 3.95 0.02 A 52 SER HBy H 1 4.00 0.02 A 52 SER C C 13 175.5 0.2 A 52 SER CA C 13 60.4 0.2 A 52 SER CB C 13 62.5 0.2 A 52 SER N N 15 110.2 0.2 A 53 GLN H H 1 7.67 0.02 A 53 GLN HA H 1 4.61 0.02 A 53 GLN HBx H 1 1.84 0.02 A 53 GLN HBy H 1 2.31 0.02 A 53 GLN HE21 H 1 7.41 0.02 A 53 GLN HE22 H 1 6.83 0.02 A 53 GLN HGx H 1 2.32 0.02 A 53 GLN HGy H 1 2.32 0.02 A 53 GLN C C 13 176.0 0.2 A 53 GLN CA C 13 55.3 0.2 A 53 GLN CB C 13 30.9 0.2 A 53 GLN CG C 13 33.7 0.2 A 53 GLN N N 15 118.5 0.2 A 53 GLN NE2 N 15 112.4 0.2 A 54 ARG H H 1 7.35 0.02 A 54 ARG HA H 1 3.64 0.02 A 54 ARG HBx H 1 1.75 0.02 A 54 ARG HBy H 1 1.90 0.02 A 54 ARG HDx H 1 3.29 0.02 A 54 ARG HDy H 1 3.37 0.02 A 54 ARG HE H 1 6.93 0.02 A 54 ARG HGx H 1 1.59 0.02 A 54 ARG HGy H 1 1.65 0.02 A 54 ARG HH1x H 1 6.64 0.02 A 54 ARG HH1y H 1 6.64 0.02 A 54 ARG HH2x H 1 7.17 0.02 A 54 ARG HH2y H 1 7.17 0.02 A 54 ARG C C 13 176.5 0.2 A 54 ARG CA C 13 61.4 0.2 A 54 ARG CB C 13 31.2 0.2 A 54 ARG CD C 13 43.5 0.2 A 54 ARG CG C 13 28.1 0.2 A 54 ARG N N 15 119.9 0.2 A 54 ARG NE N 15 86.0 0.2 A 55 LYS H H 1 8.60 0.02 A 55 LYS HA H 1 3.82 0.02 A 55 LYS HBx H 1 1.75 0.02 A 55 LYS HBy H 1 1.75 0.02 A 55 LYS HDx H 1 1.66 0.02 A 55 LYS HDy H 1 1.66 0.02 A 55 LYS HEx H 1 2.93 0.02 A 55 LYS HEy H 1 2.93 0.02 A 55 LYS HGx H 1 1.34 0.02 A 55 LYS HGy H 1 1.39 0.02 A 55 LYS C C 13 177.8 0.2 A 55 LYS CA C 13 60.2 0.2 A 55 LYS CB C 13 32.0 0.2 A 55 LYS CD C 13 29.2 0.2 A 55 LYS CE C 13 42.0 0.2 A 55 LYS CG C 13 25.4 0.2 A 55 LYS N N 15 118.1 0.2 A 56 LEU H H 1 7.74 0.02 A 56 LEU HA H 1 4.14 0.02 A 56 LEU HBx H 1 1.68 0.02 A 56 LEU HBy H 1 1.72 0.02 A 56 LEU HDx% H 1 0.96 0.02 A 56 LEU HDy% H 1 0.91 0.02 A 56 LEU HG H 1 1.65 0.02 A 56 LEU C C 13 180.0 0.2 A 56 LEU CA C 13 58.0 0.2 A 56 LEU CB C 13 41.8 0.2 A 56 LEU CDy C 13 24.7 0.02 A 56 LEU CDx C 13 24.6 0.02 A 56 LEU CG C 13 27.0 0.2 A 56 LEU N N 15 119.6 0.2 A 57 ILE H H 1 8.15 0.02 A 57 ILE HA H 1 3.69 0.02 A 57 ILE HB H 1 1.79 0.02 A 57 ILE HD1% H 1 0.79 0.02 A 57 ILE HG1x H 1 1.39 0.02 A 57 ILE HG1y H 1 1.64 0.02 A 57 ILE HG2% H 1 0.84 0.02 A 57 ILE C C 13 179.0 0.2 A 57 ILE CA C 13 64.1 0.2 A 57 ILE CB C 13 36.6 0.2 A 57 ILE CD1 C 13 11.7 0.2 A 57 ILE CG1 C 13 28.7 0.2 A 57 ILE CG2 C 13 18.5 0.2 A 57 ILE N N 15 119.3 0.2 A 58 ALA H H 1 8.50 0.02 A 58 ALA HA H 1 3.91 0.02 A 58 ALA HB% H 1 1.51 0.02 A 58 ALA C C 13 179.1 0.2 A 58 ALA CA C 13 55.7 0.2 A 58 ALA CB C 13 19.9 0.2 A 58 ALA N N 15 124.2 0.2 A 59 GLU H H 1 8.66 0.02 A 59 GLU HA H 1 4.02 0.02 A 59 GLU HBx H 1 2.04 0.02 A 59 GLU HBy H 1 2.28 0.02 A 59 GLU HGx H 1 2.26 0.02 A 59 GLU HGy H 1 2.56 0.02 A 59 GLU C C 13 179.8 0.2 A 59 GLU CA C 13 59.9 0.2 A 59 GLU CB C 13 29.2 0.2 A 59 GLU CG C 13 36.6 0.2 A 59 GLU N N 15 118.4 0.2 A 60 LYS H H 1 8.13 0.02 A 60 LYS HA H 1 4.06 0.02 A 60 LYS HBx H 1 1.95 0.02 A 60 LYS HBy H 1 2.00 0.02 A 60 LYS HDx H 1 1.67 0.02 A 60 LYS HDy H 1 1.67 0.02 A 60 LYS HEx H 1 2.96 0.02 A 60 LYS HEy H 1 2.96 0.02 A 60 LYS HGx H 1 1.50 0.02 A 60 LYS HGy H 1 1.67 0.02 A 60 LYS C C 13 179.4 0.2 A 60 LYS CA C 13 59.7 0.2 A 60 LYS CB C 13 32.2 0.2 A 60 LYS CD C 13 29.1 0.2 A 60 LYS CE C 13 42.0 0.2 A 60 LYS CG C 13 25.3 0.2 A 60 LYS N N 15 120.7 0.2 A 61 PHE H H 1 8.46 0.02 A 61 PHE HA H 1 4.20 0.02 A 61 PHE HBx H 1 3.15 0.02 A 61 PHE HBy H 1 3.57 0.02 A 61 PHE HDx H 1 7.11 0.02 A 61 PHE HDy H 1 7.11 0.02 A 61 PHE HEx H 1 7.38 0.02 A 61 PHE HEy H 1 7.38 0.02 A 61 PHE HZ H 1 6.86 0.02 A 61 PHE C C 13 177.8 0.2 A 61 PHE CA C 13 61.1 0.2 A 61 PHE CB C 13 38.9 0.2 A 61 PHE CDx C 13 132.3 0.02 A 61 PHE CDy C 13 132.3 0.02 A 61 PHE CEx C 13 131.0 0.02 A 61 PHE CEy C 13 131.0 0.02 A 61 PHE CZ C 13 127.8 0.2 A 61 PHE N N 15 123.0 0.2 A 62 ALA H H 1 8.83 0.02 A 62 ALA HA H 1 3.86 0.02 A 62 ALA HB% H 1 1.58 0.02 A 62 ALA C C 13 179.0 0.2 A 62 ALA CA C 13 55.5 0.2 A 62 ALA CB C 13 17.9 0.2 A 62 ALA N N 15 123.4 0.2 A 63 GLN H H 1 8.41 0.02 A 63 GLN HA H 1 3.96 0.02 A 63 GLN HBx H 1 2.08 0.02 A 63 GLN HBy H 1 2.16 0.02 A 63 GLN HE21 H 1 7.49 0.02 A 63 GLN HE22 H 1 6.84 0.02 A 63 GLN HGx H 1 2.39 0.02 A 63 GLN HGy H 1 2.52 0.02 A 63 GLN C C 13 179.1 0.2 A 63 GLN CA C 13 58.8 0.2 A 63 GLN CB C 13 28.1 0.2 A 63 GLN CG C 13 33.8 0.2 A 63 GLN N N 15 117.8 0.2 A 63 GLN NE2 N 15 111.8 0.2 A 64 ALA H H 1 8.12 0.02 A 64 ALA HA H 1 4.01 0.02 A 64 ALA HB% H 1 1.37 0.02 A 64 ALA C C 13 180.4 0.2 A 64 ALA CA C 13 54.8 0.2 A 64 ALA CB C 13 17.4 0.2 A 64 ALA N N 15 123.3 0.2 A 65 LEU H H 1 7.73 0.02 A 65 LEU HA H 1 3.87 0.02 A 65 LEU HBx H 1 1.10 0.02 A 65 LEU HBy H 1 1.87 0.02 A 65 LEU HDx% H 1 0.56 0.02 A 65 LEU HDy% H 1 0.68 0.02 A 65 LEU HG H 1 1.27 0.02 A 65 LEU C C 13 180.3 0.2 A 65 LEU CA C 13 57.6 0.2 A 65 LEU CB C 13 41.4 0.2 A 65 LEU CDx C 13 24.4 0.02 A 65 LEU CDy C 13 26.5 0.02 A 65 LEU CG C 13 27.0 0.2 A 65 LEU N N 15 120.5 0.2 A 66 MET H H 1 8.22 0.02 A 66 MET HA H 1 4.14 0.02 A 66 MET HBx H 1 2.05 0.02 A 66 MET HBy H 1 2.18 0.02 A 66 MET HE% H 1 2.03 0.02 A 66 MET HGx H 1 2.76 0.02 A 66 MET HGy H 1 2.86 0.02 A 66 MET C C 13 180.1 0.2 A 66 MET CA C 13 57.2 0.2 A 66 MET CB C 13 29.7 0.2 A 66 MET CE C 13 16.5 0.2 A 66 MET CG C 13 32.0 0.2 A 66 MET N N 15 117.1 0.2 A 67 SER H H 1 8.24 0.02 A 67 SER HA H 1 4.27 0.02 A 67 SER HBx H 1 3.93 0.02 A 67 SER HBy H 1 3.93 0.02 A 67 SER C C 13 175.1 0.2 A 67 SER CA C 13 61.0 0.2 A 67 SER CB C 13 63.1 0.2 A 67 SER N N 15 114.5 0.2 A 68 SER H H 1 7.67 0.02 A 68 SER HA H 1 4.36 0.02 A 68 SER HBx H 1 3.91 0.02 A 68 SER HBy H 1 3.91 0.02 A 68 SER C C 13 174.5 0.2 A 68 SER CA C 13 59.4 0.2 A 68 SER CB C 13 63.4 0.2 A 68 SER N N 15 116.4 0.2 A 69 LEU H H 1 7.07 0.02 A 69 LEU HA H 1 4.54 0.02 A 69 LEU HBx H 1 1.27 0.02 A 69 LEU HBy H 1 1.80 0.02 A 69 LEU HDx% H 1 0.79 0.02 A 69 LEU HDy% H 1 0.63 0.02 A 69 LEU HG H 1 2.07 0.02 A 69 LEU C C 13 177.5 0.2 A 69 LEU CA C 13 54.8 0.2 A 69 LEU CB C 13 41.9 0.2 A 69 LEU CDy C 13 26.1 0.02 A 69 LEU CDx C 13 23.2 0.02 A 69 LEU CG C 13 26.0 0.2 A 69 LEU N N 15 121.2 0.2 A 70 GLU H H 1 8.65 0.02 A 70 GLU HA H 1 4.36 0.02 A 70 GLU HBx H 1 1.81 0.02 A 70 GLU HBy H 1 1.92 0.02 A 70 GLU HGx H 1 2.18 0.02 A 70 GLU HGy H 1 2.26 0.02 A 70 GLU C C 13 176.5 0.2 A 70 GLU CA C 13 56.0 0.2 A 70 GLU CB C 13 30.1 0.2 A 70 GLU CG C 13 36.0 0.2 A 70 GLU N N 15 123.2 0.2 A 71 THR H H 1 8.33 0.02 A 71 THR HA H 1 4.68 0.02 A 71 THR HB H 1 4.26 0.02 A 71 THR HG2% H 1 1.18 0.02 A 71 THR CA C 13 59.4 0.2 A 71 THR CB C 13 69.5 0.2 A 71 THR CG2 C 13 22.0 0.2 A 71 THR N N 15 118.2 0.2 A 72 PRO HA H 1 4.39 0.02 A 72 PRO HBx H 1 1.86 0.02 A 72 PRO HBy H 1 2.30 0.02 A 72 PRO HDx H 1 3.71 0.02 A 72 PRO HDy H 1 3.77 0.02 A 72 PRO HGx H 1 1.91 0.02 A 72 PRO HGy H 1 2.04 0.02 A 72 PRO C C 13 177.1 0.2 A 72 PRO CA C 13 63.6 0.2 A 72 PRO CB C 13 32.1 0.2 A 72 PRO CD C 13 51.0 0.2 A 72 PRO CG C 13 27.6 0.2 A 73 LYS H H 1 8.43 0.02 A 73 LYS HA H 1 4.32 0.02 A 73 LYS HBx H 1 1.72 0.02 A 73 LYS HBy H 1 1.81 0.02 A 73 LYS HDx H 1 1.65 0.02 A 73 LYS HDy H 1 1.65 0.02 A 73 LYS HEx H 1 2.98 0.02 A 73 LYS HEy H 1 2.98 0.02 A 73 LYS HGx H 1 1.41 0.02 A 73 LYS HGy H 1 1.46 0.02 A 73 LYS C C 13 177.0 0.2 A 73 LYS CA C 13 56.3 0.2 A 73 LYS CB C 13 33.0 0.2 A 73 LYS CD C 13 28.9 0.2 A 73 LYS CE C 13 42.1 0.2 A 73 LYS CG C 13 24.8 0.2 A 73 LYS N N 15 121.0 0.2 A 74 THR H H 1 8.04 0.02 A 74 THR HA H 1 4.24 0.02 A 74 THR HB H 1 4.13 0.02 A 74 THR HG2% H 1 1.13 0.02 A 74 THR C C 13 174.3 0.2 A 74 THR CA C 13 61.9 0.2 A 74 THR CB C 13 69.8 0.2 A 74 THR CG2 C 13 21.6 0.2 A 74 THR N N 15 114.5 0.2 A 75 HIS H H 1 8.51 0.02 A 75 HIS HA H 1 4.65 0.02 A 75 HIS HBx H 1 3.11 0.02 A 75 HIS HBy H 1 3.20 0.02 A 75 HIS C C 13 174.3 0.2 A 75 HIS CA C 13 55.6 0.2 A 75 HIS CB C 13 29.2 0.2 A 75 HIS N N 15 120.8 0.2 A 76 LEU H H 1 8.25 0.02 A 76 LEU HA H 1 4.24 0.02 A 76 LEU HBx H 1 1.43 0.02 A 76 LEU HBy H 1 1.51 0.02 A 76 LEU HDx% H 1 0.84 0.02 A 76 LEU HDy% H 1 0.78 0.02 A 76 LEU HG H 1 1.44 0.02 A 76 LEU C C 13 177.0 0.2 A 76 LEU CA C 13 55.1 0.2 A 76 LEU CB C 13 42.4 0.2 A 76 LEU CDy C 13 24.8 0.02 A 76 LEU CDx C 13 23.4 0.02 A 76 LEU CG C 13 26.8 0.2 A 76 LEU N N 15 123.7 0.2 A 77 GLU H H 1 8.39 0.02 A 77 GLU HA H 1 4.17 0.02 A 77 GLU HBx H 1 1.84 0.02 A 77 GLU HBy H 1 1.84 0.02 A 77 GLU HGx H 1 2.13 0.02 A 77 GLU HGy H 1 2.19 0.02 A 77 GLU CA C 13 56.3 0.2 A 77 GLU CB C 13 30.3 0.2 A 77 GLU CG C 13 36.0 0.2 A 77 GLU N N 15 121.8 0.2 A 78 HIS H H 1 8.47 0.02 A 78 HIS HA H 1 4.59 0.02 A 78 HIS HBx H 1 3.03 0.02 A 78 HIS HBy H 1 3.12 0.02 A 78 HIS C C 13 173.6 0.2 A 78 HIS CA C 13 55.5 0.2 A 78 HIS CB C 13 29.4 0.2 A 78 HIS N N 15 119.7 0.2 A 79 HIS H H 1 8.34 0.02 A 79 HIS HA H 1 4.42 0.02 A 79 HIS HBx H 1 3.08 0.02 A 79 HIS HBy H 1 3.19 0.02 A 79 HIS C C 13 174.3 0.2 A 79 HIS CA C 13 57.1 0.2 A 79 HIS CB C 13 29.7 0.2 A 79 HIS N N 15 125.5 0.2 A 80 HIS H H 1 8.62 0.02 A 80 HIS C C 13 174.3 0.2 A 80 HIS CA C 13 55.6 0.2 A 80 HIS CB C 13 29.6 0.2 A 80 HIS N N 15 120.6 0.2 A 81 HIS H H 1 8.58 0.02 A 81 HIS N N 15 120.2 0.2 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 4 THR HA B 35 MET HE1 1.0 1.8 5.0 2 2 A 4 THR HG2% B 34 LEU HD21 1.0 1.8 5.0 3 3 A 4 THR HG2% B 35 MET HBx 1.0 1.8 5.0 4 3 A 4 THR HG2% B 35 MET HBy 1.0 1.8 5.0 5 4 B 35 MET HE1 A 4 THR HG2% 1.0 1.8 5.0 6 5 B 32 LEU HD11 A 7 TYR HBx 1.0 1.8 5.0 7 5 A 7 TYR HBy B 32 LEU HD11 1.0 1.8 5.0 8 6 B 32 LEU HD21 A 7 TYR HBx 1.0 1.8 5.0 9 6 A 7 TYR HBy B 32 LEU HD21 1.0 1.8 5.0 10 7 B 35 MET HE1 A 7 TYR HBx 1.0 1.8 5.0 11 7 B 35 MET HE1 A 7 TYR HBy 1.0 1.8 5.0 12 8 B 32 LEU HD11 A 7 TYR HD% 1.0 1.8 5.0 13 9 B 32 LEU HD21 A 7 TYR HD% 1.0 1.8 5.0 14 10 A 7 TYR HD% B 35 MET HBx 1.0 1.8 5.0 15 10 B 35 MET HBy A 7 TYR HD% 1.0 1.8 5.0 16 11 B 35 MET HE1 A 7 TYR HD% 1.0 1.8 5.0 17 12 B 32 LEU HD11 A 7 TYR HE% 1.0 1.8 5.0 18 13 B 32 LEU HD21 A 7 TYR HE% 1.0 1.8 5.0 19 14 B 35 MET HE1 A 7 TYR HE% 1.0 1.8 5.0 20 15 B 32 LEU HD11 A 11 GLN HBx 1.0 1.8 5.0 21 15 B 32 LEU HD11 A 11 GLN HBy 1.0 1.8 5.0 22 16 B 32 LEU HD21 A 11 GLN HBx 1.0 1.8 5.0 23 16 B 32 LEU HD21 A 11 GLN HBy 1.0 1.8 5.0 24 17 B 32 LEU HD21 A 11 GLN HE21 1.0 1.8 5.0 25 17 B 32 LEU HD21 A 11 GLN HE22 1.0 1.8 5.0 26 18 B 32 LEU HD21 A 11 GLN HGx 1.0 1.8 5.0 27 18 B 32 LEU HD21 A 11 GLN HGy 1.0 1.8 5.0 28 19 B 32 LEU HD11 A 12 VAL HA 1.0 1.8 5.0 29 20 B 32 LEU HD21 A 12 VAL HA 1.0 1.8 5.0 30 21 A 12 VAL HA B 36 ILE HD11 1.0 1.8 5.0 31 22 B 32 LEU HD11 A 12 VAL HGx% 1.0 1.8 5.0 32 23 A 12 VAL HGx% B 35 MET HGx 1.0 1.8 5.0 33 23 A 12 VAL HGx% B 35 MET HGy 1.0 1.8 5.0 34 24 B 36 ILE HD11 A 12 VAL HGx% 1.0 1.8 5.0 35 25 A 12 VAL HGx% B 36 ILE HG1y 1.0 1.8 5.0 36 25 A 12 VAL HGx% B 36 ILE HG1x 1.0 1.8 5.0 37 26 A 12 VAL HGx% B 39 ASN HD2y 1.0 1.8 5.0 38 26 A 12 VAL HGx% B 39 ASN HD2x 1.0 1.8 5.0 39 27 B 32 LEU HD11 A 12 VAL HGy% 1.0 1.8 5.0 40 28 B 32 LEU HD11 A 12 VAL HGy% 1.0 1.8 5.0 41 29 B 32 LEU HD21 A 12 VAL HGy% 1.0 1.8 5.0 42 30 B 35 MET HE1 A 12 VAL HGy% 1.0 1.8 5.0 43 31 A 12 VAL HGy% B 35 MET HGx 1.0 1.8 5.0 44 31 B 35 MET HGy A 12 VAL HGy% 1.0 1.8 5.0 45 32 A 12 VAL HGy% B 36 ILE HG1y 1.0 1.8 5.0 46 32 A 12 VAL HGy% B 36 ILE HG1x 1.0 1.8 5.0 47 33 A 12 VAL HGy% B 39 ASN HD2y 1.0 1.8 5.0 48 33 B 39 ASN HD2x A 12 VAL HGy% 1.0 1.8 5.0 49 34 B 36 ILE HD11 A 15 ILE HB 1.0 1.8 5.0 50 35 A 15 ILE HD1% B 26 HIS HA 1.0 1.8 5.0 51 36 A 15 ILE HD1% B 26 HIS HBy 1.0 1.8 5.0 52 37 A 15 ILE HD1% B 26 HIS HBx 1.0 1.8 5.0 53 38 A 15 ILE HD1% B 26 HIS HD2 1.0 1.8 5.0 54 39 A 15 ILE HD1% B 28 ALA HA 1.0 1.8 5.0 55 40 A 15 ILE HD1% B 28 ALA HB1 1.0 1.8 5.0 56 41 B 32 LEU HD11 A 15 ILE HD1% 1.0 1.8 5.0 57 42 B 32 LEU HD21 A 15 ILE HD1% 1.0 1.8 5.0 58 43 A 15 ILE HD1% B 32 LEU HG 1.0 1.8 5.0 59 44 B 36 ILE HD11 A 15 ILE HD1% 1.0 1.8 5.0 60 45 B 36 ILE HD11 A 15 ILE HG1x 1.0 1.8 5.0 61 45 B 36 ILE HD11 A 15 ILE HG1y 1.0 1.8 5.0 62 46 A 15 ILE HG2% B 22 VAL HG21 1.0 1.8 5.0 63 47 A 15 ILE HG2% B 23 LEU HA 1.0 1.8 5.0 64 48 A 15 ILE HG2% B 23 LEU HD21 1.0 1.8 5.0 65 49 A 15 ILE HG2% B 23 LEU HG 1.0 1.8 5.0 66 50 B 28 ALA HB1 A 15 ILE HG2% 1.0 1.8 5.0 67 51 B 32 LEU HD11 A 15 ILE HG2% 1.0 1.8 5.0 68 52 B 36 ILE HD11 A 15 ILE HG2% 1.0 1.8 5.0 69 53 B 36 ILE HD11 A 15 ILE H 1.0 1.8 5.0 70 54 B 36 ILE HD11 A 16 LEU HA 1.0 1.8 5.0 71 55 A 16 LEU HA B 36 ILE HG1y 1.0 1.8 5.0 72 55 A 16 LEU HA B 36 ILE HG1x 1.0 1.8 5.0 73 56 A 16 LEU HA B 36 ILE HG21 1.0 1.8 5.0 74 57 B 36 ILE HD11 A 16 LEU HBy 1.0 1.8 5.0 75 57 B 36 ILE HD11 A 16 LEU HBx 1.0 1.8 5.0 76 58 A 16 LEU HDx% B 39 ASN HBy 1.0 1.8 5.0 77 59 A 16 LEU HDx% B 39 ASN HBx 1.0 1.8 5.0 78 60 A 16 LEU HDx% B 39 ASN HD2y 1.0 1.8 5.0 79 60 B 39 ASN HD2x A 16 LEU HDx% 1.0 1.8 5.0 80 61 A 16 LEU HDy% B 39 ASN HA 1.0 1.8 5.0 81 62 A 16 LEU HDy% B 39 ASN HBy 1.0 1.8 5.0 82 63 A 16 LEU HDy% B 39 ASN HBx 1.0 1.8 5.0 83 64 A 16 LEU HDy% B 40 ILE HA 1.0 1.8 5.0 84 65 A 16 LEU HDy% B 40 ILE HD11 1.0 1.8 5.0 85 66 B 36 ILE HD11 A 16 LEU HG 1.0 1.8 5.0 86 67 A 16 LEU HG B 36 ILE HG21 1.0 1.8 5.0 87 68 A 16 LEU HG B 39 ASN HBx 1.0 1.8 5.0 88 68 A 16 LEU HG B 39 ASN HBy 1.0 1.8 5.0 89 69 B 36 ILE HD11 A 16 LEU H 1.0 1.8 5.0 90 70 A 16 LEU H B 36 ILE HG21 1.0 1.8 5.0 91 71 B 22 VAL HG11 A 18 GLU HBx 1.0 1.8 5.0 92 71 A 18 GLU HBy B 22 VAL HG11 1.0 1.8 5.0 93 72 B 22 VAL HG21 A 18 GLU HBx 1.0 1.8 5.0 94 72 B 22 VAL HG21 A 18 GLU HBy 1.0 1.8 5.0 95 73 B 22 VAL HG11 A 18 GLU HGx 1.0 1.8 5.0 96 73 B 22 VAL HG11 A 18 GLU HGy 1.0 1.8 5.0 97 74 B 22 VAL HG21 A 19 VAL HA 1.0 1.8 5.0 98 75 B 22 VAL HG21 A 19 VAL HA 1.0 1.8 5.0 99 76 B 40 ILE HD11 A 19 VAL HGx% 1.0 1.8 5.0 100 77 A 19 VAL HGx% B 40 ILE HG21 1.0 1.8 5.0 101 78 B 36 ILE HD11 A 19 VAL HGy% 1.0 1.8 5.0 102 79 B 40 ILE HD11 A 19 VAL HGy% 1.0 1.8 5.0 103 80 B 40 ILE HD11 A 23 LEU HDx% 1.0 1.8 5.0 104 81 B 40 ILE HG21 A 23 LEU HDx% 1.0 1.8 5.0 105 82 A 26 HIS H B 15 ILE HD11 1.0 1.8 5.0 106 83 A 30 PRO HA B 44 VAL HG11 1.0 1.8 5.0 107 84 A 30 PRO HA B 44 VAL HG21 1.0 1.8 5.0 108 85 B 44 VAL HG21 A 33 THR HA 1.0 1.8 5.0 109 86 A 33 THR HG2% B 40 ILE HB 1.0 1.8 5.0 110 87 B 40 ILE HD11 A 33 THR HG2% 1.0 1.8 5.0 111 88 B 40 ILE HG21 A 33 THR HG2% 1.0 1.8 5.0 112 89 A 33 THR HG2% B 44 VAL HB 1.0 1.8 5.0 113 90 B 44 VAL HG11 A 34 LEU HBy 1.0 1.8 5.0 114 90 B 44 VAL HG11 A 34 LEU HBx 1.0 1.8 5.0 115 91 B 44 VAL HG21 A 34 LEU HBy 1.0 1.8 5.0 116 91 B 44 VAL HG21 A 34 LEU HBx 1.0 1.8 5.0 117 92 B 57 ILE HD11 A 34 LEU HBy 1.0 1.8 5.0 118 92 A 34 LEU HBx B 57 ILE HD11 1.0 1.8 5.0 119 93 B 57 ILE HG21 A 34 LEU HBy 1.0 1.8 5.0 120 93 A 34 LEU HBx B 57 ILE HG21 1.0 1.8 5.0 121 94 A 34 LEU HDx% B 41 ALA H 1.0 1.8 5.0 122 95 B 57 ILE HD11 A 34 LEU HDx% 1.0 1.8 5.0 123 96 B 57 ILE HG21 A 34 LEU HDx% 1.0 1.8 5.0 124 97 B 57 ILE HD11 A 34 LEU HDy% 1.0 1.8 5.0 125 98 B 57 ILE HG21 A 34 LEU HDy% 1.0 1.8 5.0 126 99 A 34 LEU HDy% B 61 PHE HA 1.0 1.8 5.0 127 100 A 34 LEU HDy% B 61 PHE HBy 1.0 1.8 5.0 128 100 A 34 LEU HDy% B 61 PHE HBx 1.0 1.8 5.0 129 101 A 34 LEU HDy% B 61 PHE HD% 1.0 1.8 5.0 130 102 A 34 LEU HDy% B 61 PHE HE% 1.0 1.8 5.0 131 103 B 41 ALA H A 34 LEU HG 1.0 1.8 5.0 132 104 B 44 VAL HG21 A 34 LEU HG 1.0 1.8 5.0 133 105 B 61 PHE HD% A 34 LEU HG 1.0 1.8 5.0 134 106 B 61 PHE HE% A 34 LEU HG 1.0 1.8 5.0 135 107 B 61 PHE HE% A 35 MET HA 1.0 1.8 5.0 136 108 B 40 ILE HD11 A 36 ILE HG2% 1.0 1.8 5.0 137 109 B 40 ILE HG1y A 36 ILE HG2% 1.0 1.8 5.0 138 109 A 36 ILE HG2% B 40 ILE HG1x 1.0 1.8 5.0 139 110 B 40 ILE HG1y A 36 ILE HG2% 1.0 1.8 5.0 140 110 A 36 ILE HG2% B 40 ILE HG1x 1.0 1.8 5.0 141 111 B 40 ILE HG21 A 36 ILE HG2% 1.0 1.8 5.0 142 112 B 40 ILE HD11 A 37 ALA HB% 1.0 1.8 5.0 143 113 A 37 ALA HB% B 40 ILE HG1x 1.0 1.8 5.0 144 113 B 40 ILE HG1y A 37 ALA HB% 1.0 1.8 5.0 145 114 A 37 ALA HB% B 41 ALA HA 1.0 1.8 5.0 146 115 A 37 ALA HB% B 41 ALA HB1 1.0 1.8 5.0 147 116 B 41 ALA H A 37 ALA HB% 1.0 1.8 5.0 148 117 B 61 PHE HD% A 37 ALA HB% 1.0 1.8 5.0 149 118 B 61 PHE HE% A 37 ALA HB% 1.0 1.8 5.0 150 119 A 37 ALA HB% B 61 PHE HZ 1.0 1.8 5.0 151 120 B 61 PHE HD% A 38 GLY HAy 1.0 1.8 5.0 152 121 B 61 PHE HD% A 38 GLY HAx 1.0 1.8 5.0 153 122 B 61 PHE HE% A 38 GLY HAy 1.0 1.8 5.0 154 122 B 61 PHE HE% A 38 GLY HAx 1.0 1.8 5.0 155 123 B 61 PHE HZ A 38 GLY HAy 1.0 1.8 5.0 156 123 B 61 PHE HZ A 38 GLY HAx 1.0 1.8 5.0 157 124 B 61 PHE HD% A 38 GLY H 1.0 1.8 5.0 158 125 B 61 PHE HE% A 38 GLY H 1.0 1.8 5.0 159 126 B 61 PHE HZ A 38 GLY H 1.0 1.8 5.0 160 127 A 39 ASN H B 16 LEU HD21 1.0 1.8 5.0 161 128 B 61 PHE HE% A 39 ASN H 1.0 1.8 5.0 162 129 B 61 PHE HE% A 41 ALA HB% 1.0 1.8 5.0 163 130 B 61 PHE HZ A 41 ALA HB% 1.0 1.8 5.0 164 131 A 41 ALA HB% B 65 LEU HA 1.0 1.8 5.0 165 132 A 41 ALA HB% B 65 LEU HD11 1.0 1.8 5.0 166 133 A 41 ALA HB% B 65 LEU HD21 1.0 1.8 5.0 167 134 B 65 LEU HD11 A 41 ALA H 1.0 1.8 5.0 168 135 B 65 LEU HD21 A 41 ALA H 1.0 1.8 5.0 169 136 B 65 LEU HA A 42 THR HG2% 1.0 1.8 5.0 170 137 B 65 LEU HD11 A 42 THR HG2% 1.0 1.8 5.0 171 138 A 42 THR HG2% B 68 SER HA 1.0 1.8 5.0 172 139 A 42 THR HG2% B 68 SER HBx 1.0 1.8 5.0 173 139 A 42 THR HG2% B 68 SER HBy 1.0 1.8 5.0 174 140 A 45 LEU HDx% B 65 LEU HG 1.0 1.8 5.0 175 141 A 45 LEU HDx% B 66 MET HE1 1.0 1.8 5.0 176 142 A 51 ALA HB% B 72 PRO HDy 1.0 1.8 5.0 177 142 A 51 ALA HB% B 72 PRO HDx 1.0 1.8 5.0 178 143 A 51 ALA HB% B 72 PRO HGx 1.0 1.8 5.0 179 143 A 51 ALA HB% B 72 PRO HGy 1.0 1.8 5.0 180 144 B 65 LEU HD21 A 58 ALA HB% 1.0 1.8 5.0 181 145 B 65 LEU HG A 58 ALA HB% 1.0 1.8 5.0 182 146 A 58 ALA HB% B 66 MET HA 1.0 1.8 5.0 183 147 B 66 MET HE1 A 58 ALA HB% 1.0 1.8 5.0 184 148 A 58 ALA HB% B 69 LEU HD11 1.0 1.8 5.0 185 149 A 58 ALA HB% B 69 LEU HD21 1.0 1.8 5.0 186 150 B 65 LEU HD21 A 61 PHE HBy 1.0 1.8 5.0 187 150 B 65 LEU HD21 A 61 PHE HBx 1.0 1.8 5.0 188 151 B 65 LEU HD21 A 61 PHE HD% 1.0 1.8 5.0 189 152 B 65 LEU HD21 A 61 PHE HE% 1.0 1.8 5.0 190 153 B 65 LEU HD21 A 62 ALA H 1.0 1.8 5.0 191 154 B 66 MET HE1 A 62 ALA H 1.0 1.8 5.0 192 155 A 70 GLU H B 42 THR HG21 1.0 1.8 5.0 193 156 A 70 GLU H B 46 ASN HD2x 1.0 1.8 5.0 194 157 A 70 GLU H B 46 ASN HD2y 1.0 1.8 5.0 195 158 B 4 THR HA A 35 MET HE% 1.0 1.8 5.0 196 159 A 34 LEU HDy% B 4 THR HG21 1.0 1.8 5.0 197 160 B 4 THR HG21 A 35 MET HBx 1.0 1.8 5.0 198 160 B 4 THR HG21 A 35 MET HBy 1.0 1.8 5.0 199 161 A 35 MET HE% B 4 THR HG21 1.0 1.8 5.0 200 162 A 32 LEU HDx% B 7 TYR HBx 1.0 1.8 5.0 201 162 B 7 TYR HBy A 32 LEU HDx% 1.0 1.8 5.0 202 163 A 32 LEU HDy% B 7 TYR HBx 1.0 1.8 5.0 203 163 B 7 TYR HBy A 32 LEU HDy% 1.0 1.8 5.0 204 164 A 35 MET HE% B 7 TYR HBx 1.0 1.8 5.0 205 164 A 35 MET HE% B 7 TYR HBy 1.0 1.8 5.0 206 165 A 32 LEU HDx% B 7 TYR HD% 1.0 1.8 5.0 207 166 A 32 LEU HDy% B 7 TYR HD% 1.0 1.8 5.0 208 167 B 7 TYR HD% A 35 MET HBx 1.0 1.8 5.0 209 167 A 35 MET HBy B 7 TYR HD% 1.0 1.8 5.0 210 168 A 35 MET HE% B 7 TYR HD% 1.0 1.8 5.0 211 169 A 32 LEU HDx% B 7 TYR HE% 1.0 1.8 5.0 212 170 A 32 LEU HDy% B 7 TYR HE% 1.0 1.8 5.0 213 171 A 35 MET HE% B 7 TYR HE% 1.0 1.8 5.0 214 172 A 32 LEU HDx% B 11 GLN HBx 1.0 1.8 5.0 215 172 A 32 LEU HDx% B 11 GLN HBy 1.0 1.8 5.0 216 173 A 32 LEU HDy% B 11 GLN HBx 1.0 1.8 5.0 217 173 A 32 LEU HDy% B 11 GLN HBy 1.0 1.8 5.0 218 174 A 32 LEU HDy% B 11 GLN HE2x 1.0 1.8 5.0 219 174 A 32 LEU HDy% B 11 GLN HE2y 1.0 1.8 5.0 220 175 A 32 LEU HDy% B 11 GLN HGx 1.0 1.8 5.0 221 175 A 32 LEU HDy% B 11 GLN HGy 1.0 1.8 5.0 222 176 A 32 LEU HDx% B 12 VAL HA 1.0 1.8 5.0 223 177 A 32 LEU HDy% B 12 VAL HA 1.0 1.8 5.0 224 178 B 12 VAL HA A 36 ILE HD1% 1.0 1.8 5.0 225 179 A 32 LEU HDx% B 12 VAL HG11 1.0 1.8 5.0 226 180 B 12 VAL HG11 A 35 MET HGx 1.0 1.8 5.0 227 180 B 12 VAL HG11 A 35 MET HGy 1.0 1.8 5.0 228 181 A 36 ILE HD1% B 12 VAL HG11 1.0 1.8 5.0 229 182 B 12 VAL HG11 A 36 ILE HG1y 1.0 1.8 5.0 230 182 B 12 VAL HG11 A 36 ILE HG1x 1.0 1.8 5.0 231 183 B 12 VAL HG11 A 39 ASN HD22 1.0 1.8 5.0 232 183 B 12 VAL HG11 A 39 ASN HD21 1.0 1.8 5.0 233 184 A 32 LEU HDx% B 12 VAL HG21 1.0 1.8 5.0 234 185 A 32 LEU HDx% B 12 VAL HG21 1.0 1.8 5.0 235 186 A 32 LEU HDy% B 12 VAL HG21 1.0 1.8 5.0 236 187 A 35 MET HE% B 12 VAL HG21 1.0 1.8 5.0 237 188 B 12 VAL HG21 A 35 MET HGx 1.0 1.8 5.0 238 188 A 35 MET HGy B 12 VAL HG21 1.0 1.8 5.0 239 189 B 12 VAL HG21 A 36 ILE HG1y 1.0 1.8 5.0 240 189 B 12 VAL HG21 A 36 ILE HG1x 1.0 1.8 5.0 241 190 B 12 VAL HG21 A 39 ASN HD22 1.0 1.8 5.0 242 190 A 39 ASN HD21 B 12 VAL HG21 1.0 1.8 5.0 243 191 A 36 ILE HD1% B 15 ILE HB 1.0 1.8 5.0 244 192 B 15 ILE HD11 A 26 HIS HA 1.0 1.8 5.0 245 193 B 15 ILE HD11 A 26 HIS HBy 1.0 1.8 5.0 246 194 B 15 ILE HD11 A 26 HIS HBx 1.0 1.8 5.0 247 195 B 15 ILE HD11 A 26 HIS HD2 1.0 1.8 5.0 248 196 B 15 ILE HD11 A 28 ALA HA 1.0 1.8 5.0 249 197 B 15 ILE HD11 A 28 ALA HB% 1.0 1.8 5.0 250 198 B 15 ILE HD11 A 32 LEU HDx% 1.0 1.8 5.0 251 199 B 15 ILE HD11 A 32 LEU HDy% 1.0 1.8 5.0 252 200 B 15 ILE HD11 A 32 LEU HG 1.0 1.8 5.0 253 201 B 15 ILE HD11 A 36 ILE HD1% 1.0 1.8 5.0 254 202 A 36 ILE HD1% B 15 ILE HG1x 1.0 1.8 5.0 255 202 A 36 ILE HD1% B 15 ILE HG1y 1.0 1.8 5.0 256 203 B 15 ILE HG21 A 22 VAL HGy% 1.0 1.8 5.0 257 204 B 15 ILE HG21 A 23 LEU HA 1.0 1.8 5.0 258 205 B 15 ILE HG21 A 23 LEU HDy% 1.0 1.8 5.0 259 206 B 15 ILE HG21 A 23 LEU HG 1.0 1.8 5.0 260 207 A 28 ALA HB% B 15 ILE HG21 1.0 1.8 5.0 261 208 A 32 LEU HDx% B 15 ILE HG21 1.0 1.8 5.0 262 209 A 36 ILE HD1% B 15 ILE HG21 1.0 1.8 5.0 263 210 A 36 ILE HD1% B 15 ILE H 1.0 1.8 5.0 264 211 A 36 ILE HD1% B 16 LEU HA 1.0 1.8 5.0 265 212 B 16 LEU HA A 36 ILE HG1y 1.0 1.8 5.0 266 212 B 16 LEU HA A 36 ILE HG1x 1.0 1.8 5.0 267 213 B 16 LEU HA A 36 ILE HG2% 1.0 1.8 5.0 268 214 A 36 ILE HD1% B 16 LEU HBy 1.0 1.8 5.0 269 214 A 36 ILE HD1% B 16 LEU HBx 1.0 1.8 5.0 270 215 B 16 LEU HD11 A 39 ASN HBy 1.0 1.8 5.0 271 216 B 16 LEU HD11 A 39 ASN HBx 1.0 1.8 5.0 272 217 B 16 LEU HD11 A 39 ASN HD22 1.0 1.8 5.0 273 217 A 39 ASN HD21 B 16 LEU HD11 1.0 1.8 5.0 274 218 B 16 LEU HD21 A 39 ASN HA 1.0 1.8 5.0 275 219 B 16 LEU HD21 A 39 ASN HBy 1.0 1.8 5.0 276 220 B 16 LEU HD21 A 39 ASN HBx 1.0 1.8 5.0 277 221 B 16 LEU HD21 A 40 ILE HA 1.0 1.8 5.0 278 222 B 16 LEU HD21 A 40 ILE HD1% 1.0 1.8 5.0 279 223 A 36 ILE HD1% B 16 LEU HG 1.0 1.8 5.0 280 224 B 16 LEU HG A 36 ILE HG2% 1.0 1.8 5.0 281 225 B 16 LEU HG A 39 ASN HBx 1.0 1.8 5.0 282 225 B 16 LEU HG A 39 ASN HBy 1.0 1.8 5.0 283 226 A 36 ILE HD1% B 16 LEU H 1.0 1.8 5.0 284 227 B 16 LEU H A 36 ILE HG2% 1.0 1.8 5.0 285 228 A 22 VAL HGx% B 18 GLU HBx 1.0 1.8 5.0 286 228 B 18 GLU HBy A 22 VAL HGx% 1.0 1.8 5.0 287 229 A 22 VAL HGy% B 18 GLU HBx 1.0 1.8 5.0 288 229 A 22 VAL HGy% B 18 GLU HBy 1.0 1.8 5.0 289 230 A 22 VAL HGx% B 18 GLU HGx 1.0 1.8 5.0 290 230 A 22 VAL HGx% B 18 GLU HGy 1.0 1.8 5.0 291 231 A 22 VAL HGy% B 19 VAL HA 1.0 1.8 5.0 292 232 A 22 VAL HGy% B 19 VAL HA 1.0 1.8 5.0 293 233 A 40 ILE HD1% B 19 VAL HG11 1.0 1.8 5.0 294 234 B 19 VAL HG11 A 40 ILE HG2% 1.0 1.8 5.0 295 235 A 36 ILE HD1% B 19 VAL HG21 1.0 1.8 5.0 296 236 A 40 ILE HD1% B 19 VAL HG21 1.0 1.8 5.0 297 237 A 40 ILE HD1% B 23 LEU HD11 1.0 1.8 5.0 298 238 A 40 ILE HG2% B 23 LEU HD11 1.0 1.8 5.0 299 239 A 15 ILE HD1% B 26 HIS H 1.0 1.8 5.0 300 240 B 30 PRO HA A 44 VAL HGx% 1.0 1.8 5.0 301 241 B 30 PRO HA A 44 VAL HGy% 1.0 1.8 5.0 302 242 A 44 VAL HGy% B 33 THR HA 1.0 1.8 5.0 303 243 B 33 THR HG21 A 40 ILE HB 1.0 1.8 5.0 304 244 A 40 ILE HD1% B 33 THR HG21 1.0 1.8 5.0 305 245 A 40 ILE HG2% B 33 THR HG21 1.0 1.8 5.0 306 246 B 33 THR HG21 A 44 VAL HB 1.0 1.8 5.0 307 247 A 44 VAL HGx% B 34 LEU HBy 1.0 1.8 5.0 308 247 A 44 VAL HGx% B 34 LEU HBx 1.0 1.8 5.0 309 248 A 44 VAL HGy% B 34 LEU HBy 1.0 1.8 5.0 310 248 A 44 VAL HGy% B 34 LEU HBx 1.0 1.8 5.0 311 249 A 57 ILE HD1% B 34 LEU HBy 1.0 1.8 5.0 312 249 B 34 LEU HBx A 57 ILE HD1% 1.0 1.8 5.0 313 250 A 57 ILE HG2% B 34 LEU HBy 1.0 1.8 5.0 314 250 B 34 LEU HBx A 57 ILE HG2% 1.0 1.8 5.0 315 251 A 41 ALA H B 34 LEU HD11 1.0 1.8 5.0 316 252 A 57 ILE HD1% B 34 LEU HD11 1.0 1.8 5.0 317 253 A 57 ILE HG2% B 34 LEU HD11 1.0 1.8 5.0 318 254 B 34 LEU HD21 A 57 ILE HD1% 1.0 1.8 5.0 319 255 B 34 LEU HD21 A 57 ILE HG2% 1.0 1.8 5.0 320 256 B 34 LEU HD21 A 61 PHE HA 1.0 1.8 5.0 321 257 B 34 LEU HD21 A 61 PHE HBy 1.0 1.8 5.0 322 257 B 34 LEU HD21 A 61 PHE HBx 1.0 1.8 5.0 323 258 B 34 LEU HD21 A 61 PHE HD% 1.0 1.8 5.0 324 259 B 34 LEU HD21 A 61 PHE HE% 1.0 1.8 5.0 325 260 A 41 ALA H B 34 LEU HG 1.0 1.8 5.0 326 261 A 44 VAL HGy% B 34 LEU HG 1.0 1.8 5.0 327 262 A 61 PHE HD% B 34 LEU HG 1.0 1.8 5.0 328 263 A 61 PHE HE% B 34 LEU HG 1.0 1.8 5.0 329 264 A 61 PHE HE% B 35 MET HA 1.0 1.8 5.0 330 265 A 40 ILE HD1% B 36 ILE HG21 1.0 1.8 5.0 331 266 A 40 ILE HG1y B 36 ILE HG21 1.0 1.8 5.0 332 266 B 36 ILE HG21 A 40 ILE HG1x 1.0 1.8 5.0 333 267 B 36 ILE HG21 A 40 ILE HG1x 1.0 1.8 5.0 334 267 A 40 ILE HG1y B 36 ILE HG21 1.0 1.8 5.0 335 268 A 40 ILE HG2% B 36 ILE HG21 1.0 1.8 5.0 336 269 A 40 ILE HD1% B 37 ALA HB1 1.0 1.8 5.0 337 270 B 37 ALA HB1 A 40 ILE HG1x 1.0 1.8 5.0 338 270 A 40 ILE HG1y B 37 ALA HB1 1.0 1.8 5.0 339 271 B 37 ALA HB1 A 41 ALA HA 1.0 1.8 5.0 340 272 A 41 ALA HB% B 37 ALA HB1 1.0 1.8 5.0 341 273 A 41 ALA H B 37 ALA HB1 1.0 1.8 5.0 342 274 A 61 PHE HD% B 37 ALA HB1 1.0 1.8 5.0 343 275 A 61 PHE HE% B 37 ALA HB1 1.0 1.8 5.0 344 276 B 37 ALA HB1 A 61 PHE HZ 1.0 1.8 5.0 345 277 A 61 PHE HD% B 38 GLY HAy 1.0 1.8 5.0 346 278 A 61 PHE HD% B 38 GLY HAx 1.0 1.8 5.0 347 279 A 61 PHE HE% B 38 GLY HAy 1.0 1.8 5.0 348 279 A 61 PHE HE% B 38 GLY HAx 1.0 1.8 5.0 349 280 A 61 PHE HZ B 38 GLY HAy 1.0 1.8 5.0 350 280 A 61 PHE HZ B 38 GLY HAx 1.0 1.8 5.0 351 281 A 61 PHE HD% B 38 GLY H 1.0 1.8 5.0 352 282 A 61 PHE HE% B 38 GLY H 1.0 1.8 5.0 353 283 A 61 PHE HZ B 38 GLY H 1.0 1.8 5.0 354 284 A 16 LEU HDy% B 39 ASN H 1.0 1.8 5.0 355 285 A 61 PHE HE% B 39 ASN H 1.0 1.8 5.0 356 286 B 41 ALA HB1 A 61 PHE HE% 1.0 1.8 5.0 357 287 B 41 ALA HB1 A 61 PHE HZ 1.0 1.8 5.0 358 288 B 41 ALA HB1 A 65 LEU HA 1.0 1.8 5.0 359 289 B 41 ALA HB1 A 65 LEU HDx% 1.0 1.8 5.0 360 290 B 41 ALA HB1 A 65 LEU HDy% 1.0 1.8 5.0 361 291 B 41 ALA H A 65 LEU HDx% 1.0 1.8 5.0 362 292 B 41 ALA H A 65 LEU HDy% 1.0 1.8 5.0 363 293 B 42 THR HG21 A 65 LEU HA 1.0 1.8 5.0 364 294 B 42 THR HG21 A 65 LEU HDx% 1.0 1.8 5.0 365 295 B 42 THR HG21 A 68 SER HA 1.0 1.8 5.0 366 296 B 42 THR HG21 A 68 SER HBx 1.0 1.8 5.0 367 296 B 42 THR HG21 A 68 SER HBy 1.0 1.8 5.0 368 297 B 45 LEU HD11 A 65 LEU HG 1.0 1.8 5.0 369 298 B 45 LEU HD11 A 66 MET HE% 1.0 1.8 5.0 370 299 B 51 ALA HB1 A 72 PRO HDy 1.0 1.8 5.0 371 299 B 51 ALA HB1 A 72 PRO HDx 1.0 1.8 5.0 372 300 B 51 ALA HB1 A 72 PRO HGx 1.0 1.8 5.0 373 300 B 51 ALA HB1 A 72 PRO HGy 1.0 1.8 5.0 374 301 A 65 LEU HDy% B 58 ALA HB1 1.0 1.8 5.0 375 302 A 65 LEU HG B 58 ALA HB1 1.0 1.8 5.0 376 303 B 58 ALA HB1 A 66 MET HA 1.0 1.8 5.0 377 304 A 66 MET HE% B 58 ALA HB1 1.0 1.8 5.0 378 305 B 58 ALA HB1 A 69 LEU HDx% 1.0 1.8 5.0 379 306 B 58 ALA HB1 A 69 LEU HDy% 1.0 1.8 5.0 380 307 A 65 LEU HDy% B 61 PHE HBy 1.0 1.8 5.0 381 307 B 61 PHE HBx A 65 LEU HDy% 1.0 1.8 5.0 382 308 B 61 PHE HD% A 65 LEU HDy% 1.0 1.8 5.0 383 309 B 61 PHE HE% A 65 LEU HDy% 1.0 1.8 5.0 384 310 A 65 LEU HDy% B 62 ALA H 1.0 1.8 5.0 385 311 A 66 MET HE% B 62 ALA H 1.0 1.8 5.0 386 312 A 42 THR HG2% B 70 GLU H 1.0 1.8 5.0 387 313 B 70 GLU H A 46 ASN HD2y 1.0 1.8 5.0 388 314 B 70 GLU H A 46 ASN HD2x 1.0 1.8 5.0 389 315 A 4 THR HG2% A 3 ILE HD1% 1.0 1.8 5.0 390 316 A 4 THR HG2% A 5 SER HA 1.0 1.8 5.0 391 317 A 4 THR HG2% A 5 SER HBy 1.0 1.8 5.0 392 317 A 4 THR HG2% A 5 SER HBx 1.0 1.8 5.0 393 318 A 4 THR HG2% A 7 TYR HD% 1.0 1.8 5.0 394 319 A 4 THR HG2% A 7 TYR HE% 1.0 1.8 5.0 395 320 A 5 SER HA A 6 LYS HBx 1.0 1.8 5.0 396 320 A 5 SER HA A 6 LYS HBy 1.0 1.8 5.0 397 321 A 5 SER HA A 7 TYR H 1.0 1.8 5.0 398 322 A 5 SER HBx A 7 TYR H 1.0 1.8 5.0 399 323 A 7 TYR H A 5 SER HBy 1.0 1.8 5.0 400 324 A 7 TYR HE% A 5 SER HBy 1.0 1.8 5.0 401 324 A 7 TYR HE% A 5 SER HBx 1.0 1.8 5.0 402 325 A 7 TYR HA A 8 THR H 1.0 1.8 2.9 403 326 A 7 TYR HBy A 11 GLN HBx 1.0 1.8 5.0 404 326 A 7 TYR HBx A 11 GLN HBx 1.0 1.8 5.0 405 326 A 11 GLN HBy A 7 TYR HBx 1.0 1.8 5.0 406 326 A 7 TYR HBy A 11 GLN HBy 1.0 1.8 5.0 407 327 A 12 VAL HGx% A 7 TYR HBx 1.0 1.8 5.0 408 327 A 7 TYR HBy A 12 VAL HGx% 1.0 1.8 5.0 409 328 A 12 VAL HGy% A 7 TYR HBx 1.0 1.8 5.0 410 328 A 7 TYR HBy A 12 VAL HGy% 1.0 1.8 5.0 411 329 A 12 VAL H A 7 TYR HBx 1.0 1.8 5.0 412 329 A 7 TYR HBy A 12 VAL H 1.0 1.8 5.0 413 330 A 7 TYR HD% A 12 VAL HGy% 1.0 1.8 5.0 414 331 A 7 TYR HE% A 12 VAL HGy% 1.0 1.8 5.0 415 332 A 8 THR HA A 11 GLN HBx 1.0 1.8 5.0 416 332 A 11 GLN HBy A 8 THR HA 1.0 1.8 5.0 417 333 A 8 THR HA A 11 GLN H 1.0 1.8 5.0 418 334 A 11 GLN H A 8 THR HB 1.0 1.8 5.0 419 335 A 8 THR HG2% A 11 GLN HBx 1.0 1.8 5.0 420 335 A 11 GLN HBy A 8 THR HG2% 1.0 1.8 5.0 421 336 A 8 THR HG2% A 11 GLN HE21 1.0 1.8 5.0 422 336 A 11 GLN HE22 A 8 THR HG2% 1.0 1.8 5.0 423 337 A 8 THR HG2% A 11 GLN HGx 1.0 1.8 5.0 424 337 A 11 GLN HGy A 8 THR HG2% 1.0 1.8 5.0 425 338 A 11 GLN H A 8 THR HG2% 1.0 1.8 5.0 426 339 A 8 THR H A 11 GLN HBx 1.0 1.8 5.0 427 339 A 11 GLN HBy A 8 THR H 1.0 1.8 5.0 428 340 A 9 ASP HA A 12 VAL HB 1.0 1.8 5.0 429 341 A 12 VAL HGx% A 9 ASP HA 1.0 1.8 5.0 430 342 A 12 VAL HGy% A 9 ASP HA 1.0 1.8 5.0 431 343 A 12 VAL H A 9 ASP HA 1.0 1.8 5.0 432 344 A 9 ASP HA A 13 GLU H 1.0 1.8 5.0 433 345 A 12 VAL HGy% A 9 ASP HBx 1.0 1.8 5.0 434 345 A 12 VAL HGy% A 9 ASP HBy 1.0 1.8 5.0 435 346 A 11 GLN H A 9 ASP H 1.0 1.8 5.0 436 347 A 10 GLU HA A 13 GLU HBx 1.0 1.8 5.0 437 347 A 10 GLU HA A 13 GLU HBy 1.0 1.8 5.0 438 348 A 13 GLU H A 10 GLU HA 1.0 1.8 5.0 439 349 A 10 GLU HA A 14 LYS H 1.0 1.8 5.0 440 350 A 10 GLU HBy A 14 LYS HEx 1.0 1.8 5.0 441 350 A 10 GLU HBx A 14 LYS HEx 1.0 1.8 5.0 442 350 A 14 LYS HEy A 10 GLU HBx 1.0 1.8 5.0 443 350 A 10 GLU HBy A 14 LYS HEy 1.0 1.8 5.0 444 351 A 11 GLN H A 10 GLU H 1.0 1.8 2.9 445 352 A 12 VAL H A 10 GLU H 1.0 1.8 5.0 446 353 A 11 GLN HA A 14 LYS HBx 1.0 1.8 5.0 447 353 A 11 GLN HA A 14 LYS HBy 1.0 1.8 5.0 448 354 A 14 LYS H A 11 GLN HA 1.0 1.8 5.0 449 355 A 12 VAL HGy% A 11 GLN HBx 1.0 1.8 5.0 450 355 A 11 GLN HBy A 12 VAL HGy% 1.0 1.8 5.0 451 356 A 13 GLU H A 11 GLN HBx 1.0 1.8 5.0 452 356 A 11 GLN HBy A 13 GLU H 1.0 1.8 5.0 453 357 A 15 ILE HD1% A 11 GLN HBx 1.0 1.8 5.0 454 357 A 11 GLN HBy A 15 ILE HD1% 1.0 1.8 5.0 455 358 A 15 ILE HD1% A 11 GLN HGx 1.0 1.8 5.0 456 358 A 11 GLN HGy A 15 ILE HD1% 1.0 1.8 5.0 457 359 A 12 VAL H A 11 GLN H 1.0 1.8 3.5 458 360 A 11 GLN H A 13 GLU H 1.0 1.8 5.0 459 361 A 12 VAL HA A 15 ILE HB 1.0 1.8 5.0 460 362 A 12 VAL HA A 15 ILE HD1% 1.0 1.8 5.0 461 363 A 12 VAL HA A 15 ILE HG2% 1.0 1.8 5.0 462 364 A 12 VAL HA A 15 ILE H 1.0 1.8 5.0 463 365 A 12 VAL HA A 16 LEU H 1.0 1.8 5.0 464 366 A 12 VAL HGx% A 13 GLU HA 1.0 1.8 5.0 465 367 A 12 VAL HGx% A 14 LYS H 1.0 1.8 5.0 466 368 A 12 VAL HGx% A 15 ILE HD1% 1.0 1.8 5.0 467 369 A 12 VAL HGx% A 15 ILE HG2% 1.0 1.8 5.0 468 370 A 12 VAL HGx% A 16 LEU HDx% 1.0 1.8 5.0 469 371 A 12 VAL HGx% A 16 LEU HDy% 1.0 1.8 5.0 470 372 A 12 VAL HGx% A 16 LEU HG 1.0 1.8 5.0 471 373 A 12 VAL HGx% A 16 LEU H 1.0 1.8 5.0 472 374 A 12 VAL HGy% A 15 ILE HD1% 1.0 1.8 5.0 473 375 A 12 VAL H A 13 GLU H 1.0 1.8 3.5 474 376 A 13 GLU HA A 16 LEU HBy 1.0 1.8 5.0 475 377 A 16 LEU HBx A 13 GLU HA 1.0 1.8 5.0 476 378 A 16 LEU HDx% A 13 GLU HA 1.0 1.8 5.0 477 379 A 16 LEU H A 13 GLU HA 1.0 1.8 5.0 478 380 A 13 GLU HA A 17 ALA H 1.0 1.8 5.0 479 381 A 13 GLU HBx A 14 LYS HEx 1.0 1.8 5.0 480 381 A 13 GLU HBy A 14 LYS HEx 1.0 1.8 5.0 481 381 A 14 LYS HEy A 13 GLU HBx 1.0 1.8 5.0 482 381 A 13 GLU HBy A 14 LYS HEy 1.0 1.8 5.0 483 382 A 16 LEU HDx% A 13 GLU HBx 1.0 1.8 5.0 484 382 A 16 LEU HDx% A 13 GLU HBy 1.0 1.8 5.0 485 383 A 13 GLU HGx A 14 LYS HEx 1.0 1.8 5.0 486 383 A 13 GLU HGy A 14 LYS HEx 1.0 1.8 5.0 487 383 A 14 LYS HEy A 13 GLU HGx 1.0 1.8 5.0 488 383 A 14 LYS HEy A 13 GLU HGy 1.0 1.8 5.0 489 384 A 16 LEU HDx% A 13 GLU HGx 1.0 1.8 5.0 490 384 A 16 LEU HDx% A 13 GLU HGy 1.0 1.8 5.0 491 385 A 17 ALA HB% A 13 GLU HGx 1.0 1.8 5.0 492 385 A 13 GLU HGy A 17 ALA HB% 1.0 1.8 5.0 493 386 A 13 GLU H A 14 LYS H 1.0 1.8 3.5 494 387 A 16 LEU HDx% A 13 GLU H 1.0 1.8 5.0 495 388 A 16 LEU H A 13 GLU H 1.0 1.8 5.0 496 389 A 14 LYS HA A 15 ILE HA 1.0 1.8 5.0 497 390 A 17 ALA HB% A 14 LYS HA 1.0 1.8 5.0 498 391 A 17 ALA H A 14 LYS HA 1.0 1.8 5.0 499 392 A 14 LYS HA A 18 GLU H 1.0 1.8 5.0 500 393 A 15 ILE HA A 14 LYS HBx 1.0 1.8 5.0 501 393 A 14 LYS HBy A 15 ILE HA 1.0 1.8 5.0 502 394 A 14 LYS HBy A 15 ILE HG1x 1.0 1.8 5.0 503 394 A 15 ILE HG1y A 14 LYS HBx 1.0 1.8 5.0 504 394 A 15 ILE HG1y A 14 LYS HBy 1.0 1.8 5.0 505 394 A 14 LYS HBx A 15 ILE HG1x 1.0 1.8 5.0 506 395 A 17 ALA HB% A 14 LYS HDx 1.0 1.8 5.0 507 395 A 17 ALA HB% A 14 LYS HDy 1.0 1.8 5.0 508 396 A 17 ALA H A 15 ILE HA 1.0 1.8 5.0 509 397 A 18 GLU HBy A 15 ILE HA 1.0 1.8 5.0 510 398 A 15 ILE HA A 18 GLU HBx 1.0 1.8 5.0 511 399 A 15 ILE HA A 18 GLU HGx 1.0 1.8 5.0 512 399 A 18 GLU HGy A 15 ILE HA 1.0 1.8 5.0 513 400 A 15 ILE HA A 18 GLU H 1.0 1.8 5.0 514 401 A 19 VAL HGy% A 15 ILE HA 1.0 1.8 5.0 515 402 A 15 ILE HA A 19 VAL H 1.0 1.8 5.0 516 403 A 15 ILE HG2% A 19 VAL HB 1.0 1.8 5.0 517 404 A 15 ILE HG2% A 19 VAL HGy% 1.0 1.8 5.0 518 405 A 15 ILE HG2% A 19 VAL H 1.0 1.8 5.0 519 406 A 15 ILE H A 16 LEU H 1.0 1.8 3.5 520 407 A 15 ILE H A 17 ALA H 1.0 1.8 5.0 521 408 A 16 LEU HA A 19 VAL HB 1.0 1.8 5.0 522 409 A 16 LEU HA A 19 VAL HGx% 1.0 1.8 5.0 523 410 A 16 LEU HA A 19 VAL HGy% 1.0 1.8 5.0 524 411 A 16 LEU HA A 19 VAL H 1.0 1.8 5.0 525 412 A 16 LEU HA A 20 ALA HB% 1.0 1.8 5.0 526 413 A 16 LEU HA A 20 ALA H 1.0 1.8 5.0 527 414 A 19 VAL HGy% A 16 LEU HBy 1.0 1.8 5.0 528 414 A 16 LEU HBx A 19 VAL HGy% 1.0 1.8 5.0 529 415 A 16 LEU HDy% A 20 ALA H 1.0 1.8 5.0 530 416 A 16 LEU H A 17 ALA H 1.0 1.8 3.5 531 417 A 16 LEU H A 18 GLU H 1.0 1.8 5.0 532 418 A 20 ALA HB% A 17 ALA HA 1.0 1.8 5.0 533 419 A 20 ALA H A 17 ALA HA 1.0 1.8 5.0 534 420 A 17 ALA HA A 21 LEU H 1.0 1.8 5.0 535 421 A 17 ALA HB% A 21 LEU HDx% 1.0 1.8 5.0 536 422 A 17 ALA H A 18 GLU HBx 1.0 1.8 5.0 537 422 A 18 GLU HBy A 17 ALA H 1.0 1.8 5.0 538 423 A 17 ALA H A 18 GLU HGx 1.0 1.8 5.0 539 423 A 18 GLU HGy A 17 ALA H 1.0 1.8 5.0 540 424 A 17 ALA H A 18 GLU H 1.0 1.8 3.5 541 425 A 17 ALA H A 19 VAL H 1.0 1.8 5.0 542 426 A 17 ALA H A 20 ALA H 1.0 1.8 5.0 543 427 A 18 GLU HA A 21 LEU HBx 1.0 1.8 5.0 544 427 A 18 GLU HA A 21 LEU HBy 1.0 1.8 5.0 545 428 A 21 LEU HDx% A 18 GLU HA 1.0 1.8 5.0 546 429 A 18 GLU HA A 21 LEU HDy% 1.0 1.8 5.0 547 430 A 21 LEU H A 18 GLU HA 1.0 1.8 5.0 548 431 A 18 GLU HA A 22 VAL H 1.0 1.8 5.0 549 432 A 21 LEU H A 18 GLU HBx 1.0 1.8 5.0 550 432 A 18 GLU HBy A 21 LEU H 1.0 1.8 5.0 551 433 A 22 VAL H A 18 GLU HBx 1.0 1.8 5.0 552 433 A 18 GLU HBy A 22 VAL H 1.0 1.8 5.0 553 434 A 18 GLU H A 19 VAL H 1.0 1.8 3.5 554 435 A 18 GLU H A 20 ALA H 1.0 1.8 5.0 555 436 A 19 VAL HA A 21 LEU H 1.0 1.8 5.0 556 437 A 19 VAL HA A 22 VAL HB 1.0 1.8 5.0 557 438 A 19 VAL HA A 22 VAL HGx% 1.0 1.8 5.0 558 439 A 19 VAL HA A 22 VAL HGy% 1.0 1.8 5.0 559 440 A 19 VAL HA A 22 VAL H 1.0 1.8 5.0 560 441 A 19 VAL HA A 23 LEU H 1.0 1.8 5.0 561 442 A 19 VAL HGx% A 20 ALA HB% 1.0 1.8 5.0 562 443 A 19 VAL HGy% A 20 ALA HB% 1.0 1.8 5.0 563 444 A 19 VAL H A 20 ALA H 1.0 1.8 3.5 564 445 A 19 VAL H A 21 LEU H 1.0 1.8 5.0 565 446 A 22 VAL HGy% A 19 VAL H 1.0 1.8 5.0 566 447 A 20 ALA HA A 23 LEU HBx 1.0 1.8 5.0 567 447 A 20 ALA HA A 23 LEU HBy 1.0 1.8 5.0 568 448 A 23 LEU HDx% A 20 ALA HA 1.0 1.8 5.0 569 449 A 23 LEU HDy% A 20 ALA HA 1.0 1.8 5.0 570 450 A 23 LEU HG A 20 ALA HA 1.0 1.8 5.0 571 451 A 23 LEU H A 20 ALA HA 1.0 1.8 5.0 572 452 A 20 ALA HA A 24 GLU H 1.0 1.8 5.0 573 453 A 20 ALA HB% A 23 LEU HBx 1.0 1.8 5.0 574 453 A 20 ALA HB% A 23 LEU HBy 1.0 1.8 5.0 575 454 A 23 LEU HDx% A 20 ALA HB% 1.0 1.8 5.0 576 455 A 20 ALA H A 21 LEU H 1.0 1.8 3.5 577 456 A 20 ALA H A 22 VAL H 1.0 1.8 5.0 578 457 A 23 LEU HDx% A 20 ALA H 1.0 1.8 5.0 579 458 A 23 LEU H A 21 LEU HA 1.0 1.8 5.0 580 459 A 21 LEU HA A 24 GLU HBx 1.0 1.8 5.0 581 459 A 21 LEU HA A 24 GLU HBy 1.0 1.8 5.0 582 460 A 24 GLU H A 21 LEU HA 1.0 1.8 5.0 583 461 A 21 LEU HA A 25 LYS H 1.0 1.8 5.0 584 462 A 21 LEU HDx% A 24 GLU HBx 1.0 1.8 5.0 585 462 A 21 LEU HDx% A 24 GLU HBy 1.0 1.8 5.0 586 463 A 21 LEU HDy% A 24 GLU HBx 1.0 1.8 5.0 587 463 A 21 LEU HDy% A 24 GLU HBy 1.0 1.8 5.0 588 464 A 21 LEU HDy% A 25 LYS H 1.0 1.8 5.0 589 465 A 21 LEU H A 22 VAL HB 1.0 1.8 5.0 590 466 A 22 VAL HGy% A 21 LEU H 1.0 1.8 5.0 591 467 A 21 LEU H A 22 VAL H 1.0 1.8 3.5 592 468 A 21 LEU H A 23 LEU H 1.0 1.8 5.0 593 469 A 21 LEU H A 24 GLU HBx 1.0 1.8 5.0 594 469 A 21 LEU H A 24 GLU HBy 1.0 1.8 5.0 595 470 A 22 VAL HA A 25 LYS HBx 1.0 1.8 5.0 596 470 A 22 VAL HA A 25 LYS HBy 1.0 1.8 5.0 597 471 A 22 VAL HA A 25 LYS HDx 1.0 1.8 5.0 598 471 A 22 VAL HA A 25 LYS HDy 1.0 1.8 5.0 599 472 A 22 VAL HA A 25 LYS HGx 1.0 1.8 5.0 600 472 A 22 VAL HA A 25 LYS HGy 1.0 1.8 5.0 601 473 A 25 LYS H A 22 VAL HA 1.0 1.8 5.0 602 474 A 26 HIS HD2 A 22 VAL HA 1.0 1.8 5.0 603 475 A 26 HIS H A 22 VAL HA 1.0 1.8 5.0 604 476 A 26 HIS HD2 A 22 VAL HGx% 1.0 1.8 5.0 605 477 A 26 HIS HD2 A 22 VAL HGy% 1.0 1.8 5.0 606 478 A 23 LEU HDy% A 22 VAL H 1.0 1.8 5.0 607 479 A 22 VAL H A 23 LEU H 1.0 1.8 3.5 608 480 A 22 VAL H A 24 GLU H 1.0 1.8 5.0 609 481 A 23 LEU HA A 25 LYS H 1.0 1.8 5.0 610 482 A 26 HIS H A 23 LEU HA 1.0 1.8 5.0 611 483 A 23 LEU HA A 27 ALA H 1.0 1.8 5.0 612 484 A 28 ALA HB% A 23 LEU HA 1.0 1.8 5.0 613 485 A 23 LEU HA A 28 ALA H 1.0 1.8 5.0 614 486 A 28 ALA HB% A 23 LEU HBx 1.0 1.8 5.0 615 486 A 28 ALA HB% A 23 LEU HBy 1.0 1.8 5.0 616 487 A 23 LEU HDx% A 28 ALA HB% 1.0 1.8 5.0 617 488 A 23 LEU HDx% A 33 THR HG2% 1.0 1.8 5.0 618 489 A 23 LEU HDx% A 36 ILE HD1% 1.0 1.8 5.0 619 490 A 28 ALA HB% A 23 LEU HDy% 1.0 1.8 5.0 620 491 A 33 THR HA A 23 LEU HDy% 1.0 1.8 5.0 621 492 A 36 ILE HD1% A 23 LEU HDy% 1.0 1.8 5.0 622 493 A 23 LEU HDy% A 36 ILE HG2% 1.0 1.8 5.0 623 494 A 23 LEU H A 24 GLU H 1.0 1.8 3.5 624 495 A 26 HIS H A 24 GLU HA 1.0 1.8 5.0 625 496 A 27 ALA H A 24 GLU HA 1.0 1.8 5.0 626 497 A 28 ALA H A 24 GLU HA 1.0 1.8 5.0 627 498 A 26 HIS H A 24 GLU HBx 1.0 1.8 5.0 628 498 A 26 HIS H A 24 GLU HBy 1.0 1.8 5.0 629 499 A 27 ALA H A 24 GLU HBx 1.0 1.8 5.0 630 499 A 24 GLU HBy A 27 ALA H 1.0 1.8 5.0 631 500 A 27 ALA HA A 24 GLU HGx 1.0 1.8 5.0 632 500 A 24 GLU HGy A 27 ALA HA 1.0 1.8 5.0 633 501 A 26 HIS H A 24 GLU H 1.0 1.8 5.0 634 502 A 27 ALA H A 25 LYS HBx 1.0 1.8 5.0 635 502 A 25 LYS HBy A 27 ALA H 1.0 1.8 5.0 636 503 A 26 HIS HD2 A 25 LYS HBx 1.0 1.8 5.0 637 503 A 26 HIS HD2 A 25 LYS HBy 1.0 1.8 5.0 638 504 A 26 HIS HD2 A 25 LYS HEx 1.0 1.8 5.0 639 504 A 26 HIS HD2 A 25 LYS HEy 1.0 1.8 5.0 640 505 A 26 HIS HD2 A 25 LYS H 1.0 1.8 5.0 641 506 A 26 HIS H A 25 LYS H 1.0 1.8 3.5 642 507 A 26 HIS HA A 28 ALA H 1.0 1.8 5.0 643 508 A 26 HIS HBy A 28 ALA H 1.0 1.8 5.0 644 509 A 26 HIS HBx A 28 ALA H 1.0 1.8 5.0 645 510 A 26 HIS H A 27 ALA H 1.0 1.8 3.5 646 511 A 26 HIS H A 28 ALA H 1.0 1.8 5.0 647 512 A 28 ALA HB% A 27 ALA H 1.0 1.8 5.0 648 513 A 27 ALA H A 28 ALA H 1.0 1.8 3.5 649 514 A 28 ALA HA A 32 LEU HBy 1.0 1.8 5.0 650 514 A 28 ALA HA A 32 LEU HBx 1.0 1.8 5.0 651 515 A 32 LEU HDx% A 28 ALA HA 1.0 1.8 5.0 652 516 A 32 LEU HDy% A 28 ALA HA 1.0 1.8 5.0 653 517 A 28 ALA HB% A 32 LEU HBy 1.0 1.8 5.0 654 517 A 28 ALA HB% A 32 LEU HBx 1.0 1.8 5.0 655 518 A 32 LEU HDx% A 28 ALA HB% 1.0 1.8 5.0 656 519 A 32 LEU HDy% A 28 ALA HB% 1.0 1.8 5.0 657 520 A 28 ALA HB% A 32 LEU HG 1.0 1.8 5.0 658 521 A 28 ALA HB% A 32 LEU H 1.0 1.8 5.0 659 522 A 33 THR HA A 28 ALA HB% 1.0 1.8 5.0 660 523 A 28 ALA HB% A 33 THR H 1.0 1.8 5.0 661 524 A 36 ILE HD1% A 28 ALA HB% 1.0 1.8 5.0 662 525 A 32 LEU HDy% A 28 ALA H 1.0 1.8 5.0 663 526 A 29 SER HA A 30 PRO HDy 1.0 1.8 5.0 664 526 A 29 SER HA A 30 PRO HDx 1.0 1.8 5.0 665 527 A 29 SER HA A 30 PRO HGx 1.0 1.8 5.0 666 527 A 29 SER HA A 30 PRO HGy 1.0 1.8 5.0 667 528 A 29 SER HA A 31 GLU H 1.0 1.8 5.0 668 529 A 31 GLU H A 29 SER HBx 1.0 1.8 5.0 669 530 A 31 GLU H A 29 SER HBy 1.0 1.8 5.0 670 531 A 29 SER HBy A 30 PRO HDy 1.0 1.8 5.0 671 531 A 29 SER HBx A 30 PRO HDy 1.0 1.8 5.0 672 531 A 30 PRO HDx A 29 SER HBy 1.0 1.8 5.0 673 531 A 30 PRO HDx A 29 SER HBx 1.0 1.8 5.0 674 532 A 32 LEU H A 29 SER HBy 1.0 1.8 5.0 675 532 A 32 LEU H A 29 SER HBx 1.0 1.8 5.0 676 533 A 29 SER H A 32 LEU HBy 1.0 1.8 5.0 677 534 A 32 LEU HBx A 29 SER H 1.0 1.8 5.0 678 535 A 32 LEU HDx% A 29 SER H 1.0 1.8 5.0 679 536 A 32 LEU HDy% A 29 SER H 1.0 1.8 5.0 680 537 A 32 LEU H A 29 SER H 1.0 1.8 5.0 681 538 A 30 PRO HA A 33 THR HB 1.0 1.8 5.0 682 539 A 30 PRO HA A 33 THR HG2% 1.0 1.8 5.0 683 540 A 30 PRO HA A 33 THR H 1.0 1.8 5.0 684 541 A 30 PRO HA A 34 LEU H 1.0 1.8 5.0 685 542 A 33 THR HG2% A 30 PRO HBx 1.0 1.8 5.0 686 542 A 33 THR HG2% A 30 PRO HBy 1.0 1.8 5.0 687 543 A 33 THR H A 31 GLU HA 1.0 1.8 5.0 688 544 A 31 GLU HA A 34 LEU HBy 1.0 1.8 5.0 689 545 A 34 LEU HBx A 31 GLU HA 1.0 1.8 5.0 690 546 A 34 LEU HDx% A 31 GLU HA 1.0 1.8 5.0 691 547 A 34 LEU H A 31 GLU HA 1.0 1.8 5.0 692 548 A 31 GLU HA A 35 MET H 1.0 1.8 5.0 693 549 A 31 GLU HBy A 34 LEU HBy 1.0 1.8 5.0 694 549 A 31 GLU HBx A 34 LEU HBy 1.0 1.8 5.0 695 549 A 34 LEU HBx A 31 GLU HBx 1.0 1.8 5.0 696 549 A 34 LEU HBx A 31 GLU HBy 1.0 1.8 5.0 697 550 A 31 GLU H A 32 LEU HBy 1.0 1.8 5.0 698 550 A 32 LEU HBx A 31 GLU H 1.0 1.8 5.0 699 551 A 32 LEU H A 31 GLU H 1.0 1.8 3.5 700 552 A 33 THR H A 31 GLU H 1.0 1.8 5.0 701 553 A 35 MET HBy A 32 LEU HA 1.0 1.8 5.0 702 554 A 32 LEU HA A 35 MET HBx 1.0 1.8 5.0 703 555 A 35 MET HE% A 32 LEU HA 1.0 1.8 5.0 704 556 A 32 LEU HA A 35 MET HGx 1.0 1.8 5.0 705 556 A 35 MET HGy A 32 LEU HA 1.0 1.8 5.0 706 557 A 35 MET H A 32 LEU HA 1.0 1.8 5.0 707 558 A 35 MET HE% A 32 LEU HDx% 1.0 1.8 5.0 708 559 A 32 LEU HDx% A 36 ILE HD1% 1.0 1.8 5.0 709 560 A 32 LEU HDx% A 36 ILE HG2% 1.0 1.8 5.0 710 561 A 32 LEU HDx% A 36 ILE H 1.0 1.8 5.0 711 562 A 35 MET HE% A 32 LEU HDy% 1.0 1.8 5.0 712 563 A 32 LEU HDy% A 36 ILE HD1% 1.0 1.8 5.0 713 564 A 36 ILE HD1% A 32 LEU HG 1.0 1.8 5.0 714 565 A 32 LEU H A 33 THR H 1.0 1.8 3.5 715 566 A 33 THR HA A 36 ILE H 1.0 1.8 5.0 716 567 A 33 THR HA A 37 ALA H 1.0 1.8 5.0 717 568 A 33 THR HA A 36 ILE HD1% 1.0 1.8 5.0 718 569 A 33 THR HG2% A 34 LEU HA 1.0 1.8 5.0 719 570 A 33 THR HG2% A 34 LEU HG 1.0 1.8 5.0 720 571 A 33 THR HG2% A 37 ALA H 1.0 1.8 5.0 721 572 A 33 THR H A 34 LEU H 1.0 1.8 3.5 722 573 A 37 ALA HB% A 34 LEU HA 1.0 1.8 5.0 723 574 A 37 ALA H A 34 LEU HA 1.0 1.8 5.0 724 575 A 38 GLY H A 34 LEU HA 1.0 1.8 5.0 725 576 A 34 LEU HDx% A 37 ALA HB% 1.0 1.8 5.0 726 577 A 34 LEU HDy% A 37 ALA HB% 1.0 1.8 5.0 727 578 A 34 LEU HDy% A 38 GLY H 1.0 1.8 5.0 728 579 A 34 LEU H A 35 MET HBx 1.0 1.8 5.0 729 579 A 35 MET HBy A 34 LEU H 1.0 1.8 5.0 730 580 A 34 LEU H A 35 MET H 1.0 1.8 3.5 731 581 A 34 LEU H A 36 ILE H 1.0 1.8 5.0 732 582 A 34 LEU H A 37 ALA H 1.0 1.8 5.0 733 583 A 35 MET HA A 37 ALA H 1.0 1.8 5.0 734 584 A 35 MET HA A 38 GLY H 1.0 1.8 5.0 735 585 A 35 MET HE% A 36 ILE HD1% 1.0 1.8 5.0 736 586 A 35 MET H A 36 ILE HG1y 1.0 1.8 5.0 737 586 A 35 MET H A 36 ILE HG1x 1.0 1.8 5.0 738 587 A 35 MET H A 36 ILE H 1.0 1.8 3.5 739 588 A 35 MET H A 37 ALA H 1.0 1.8 5.0 740 589 A 39 ASN HBy A 36 ILE HA 1.0 1.8 5.0 741 590 A 36 ILE HA A 39 ASN HBx 1.0 1.8 5.0 742 591 A 39 ASN H A 36 ILE HA 1.0 1.8 5.0 743 592 A 36 ILE HA A 40 ILE H 1.0 1.8 5.0 744 593 A 37 ALA HA A 36 ILE HG2% 1.0 1.8 5.0 745 594 A 39 ASN HBy A 36 ILE HG2% 1.0 1.8 5.0 746 594 A 36 ILE HG2% A 39 ASN HBx 1.0 1.8 5.0 747 595 A 39 ASN H A 36 ILE HG2% 1.0 1.8 5.0 748 596 A 40 ILE HD1% A 36 ILE HG2% 1.0 1.8 5.0 749 597 A 40 ILE HG1y A 36 ILE HG2% 1.0 1.8 5.0 750 597 A 36 ILE HG2% A 40 ILE HG1x 1.0 1.8 5.0 751 598 A 40 ILE HG2% A 36 ILE HG1x 1.0 1.8 5.0 752 598 A 40 ILE HG2% A 36 ILE HG2% 1.0 1.8 5.0 753 598 A 40 ILE HG2% A 36 ILE HG1y 1.0 1.8 5.0 754 599 A 36 ILE H A 37 ALA H 1.0 1.8 3.5 755 600 A 38 GLY H A 36 ILE H 1.0 1.8 5.0 756 601 A 40 ILE HB A 37 ALA HA 1.0 1.8 5.0 757 602 A 40 ILE HD1% A 37 ALA HA 1.0 1.8 5.0 758 603 A 40 ILE HG2% A 37 ALA HA 1.0 1.8 5.0 759 604 A 40 ILE H A 37 ALA HA 1.0 1.8 5.0 760 605 A 41 ALA H A 37 ALA HA 1.0 1.8 5.0 761 606 A 37 ALA HB% A 39 ASN H 1.0 1.8 5.0 762 607 A 37 ALA HB% A 40 ILE HD1% 1.0 1.8 5.0 763 608 A 37 ALA HB% A 40 ILE HG2% 1.0 1.8 5.0 764 609 A 41 ALA HB% A 38 GLY HAy 1.0 1.8 5.0 765 609 A 38 GLY HAx A 41 ALA HB% 1.0 1.8 5.0 766 610 A 38 GLY H A 39 ASN HBx 1.0 1.8 5.0 767 610 A 38 GLY H A 39 ASN HBy 1.0 1.8 5.0 768 611 A 38 GLY H A 39 ASN H 1.0 1.8 3.5 769 612 A 38 GLY H A 41 ALA HB% 1.0 1.8 5.0 770 613 A 39 ASN HA A 42 THR HB 1.0 1.8 5.0 771 614 A 42 THR HG2% A 39 ASN HA 1.0 1.8 5.0 772 615 A 39 ASN HA A 42 THR H 1.0 1.8 5.0 773 616 A 41 ALA H A 39 ASN HBx 1.0 1.8 5.0 774 616 A 41 ALA H A 39 ASN HBy 1.0 1.8 5.0 775 617 A 39 ASN H A 41 ALA H 1.0 1.8 5.0 776 618 A 40 ILE HA A 43 ASN HBy 1.0 1.8 5.0 777 619 A 40 ILE HA A 43 ASN HBx 1.0 1.8 5.0 778 620 A 40 ILE HA A 43 ASN H 1.0 1.8 5.0 779 621 A 40 ILE HA A 44 VAL H 1.0 1.8 5.0 780 622 A 40 ILE HD1% A 44 VAL HGy% 1.0 1.8 5.0 781 623 A 40 ILE HG2% A 41 ALA HA 1.0 1.8 5.0 782 624 A 40 ILE HG2% A 44 VAL HB 1.0 1.8 5.0 783 625 A 40 ILE HG2% A 44 VAL HGx% 1.0 1.8 5.0 784 626 A 40 ILE HG2% A 44 VAL HGy% 1.0 1.8 5.0 785 627 A 40 ILE HG2% A 44 VAL H 1.0 1.8 5.0 786 628 A 41 ALA H A 40 ILE H 1.0 1.8 3.5 787 629 A 40 ILE H A 42 THR H 1.0 1.8 5.0 788 630 A 44 VAL HB A 41 ALA HA 1.0 1.8 5.0 789 631 A 44 VAL HGx% A 41 ALA HA 1.0 1.8 5.0 790 632 A 44 VAL HGy% A 41 ALA HA 1.0 1.8 5.0 791 633 A 41 ALA HA A 44 VAL H 1.0 1.8 5.0 792 634 A 41 ALA HA A 45 LEU H 1.0 1.8 5.0 793 635 A 41 ALA HB% A 42 THR HA 1.0 1.8 5.0 794 636 A 41 ALA HB% A 42 THR HG2% 1.0 1.8 5.0 795 637 A 41 ALA HB% A 43 ASN H 1.0 1.8 5.0 796 638 A 41 ALA HB% A 44 VAL HB 1.0 1.8 5.0 797 639 A 41 ALA HB% A 44 VAL HGx% 1.0 1.8 5.0 798 640 A 41 ALA HB% A 61 PHE HE% 1.0 1.8 5.0 799 641 A 41 ALA HB% A 61 PHE HZ 1.0 1.8 5.0 800 642 A 41 ALA H A 42 THR H 1.0 1.8 3.5 801 643 A 41 ALA H A 43 ASN H 1.0 1.8 5.0 802 644 A 45 LEU H A 42 THR HA 1.0 1.8 5.0 803 645 A 42 THR HA A 46 ASN H 1.0 1.8 5.0 804 646 A 42 THR H A 43 ASN HBx 1.0 1.8 5.0 805 646 A 42 THR H A 43 ASN HBy 1.0 1.8 5.0 806 647 A 42 THR H A 43 ASN H 1.0 1.8 3.5 807 648 A 42 THR H A 44 VAL H 1.0 1.8 5.0 808 649 A 43 ASN HA A 46 ASN HBy 1.0 1.8 5.0 809 650 A 43 ASN HA A 46 ASN HBx 1.0 1.8 5.0 810 651 A 46 ASN HD2y A 43 ASN HA 1.0 1.8 5.0 811 652 A 46 ASN HD2x A 43 ASN HA 1.0 1.8 5.0 812 653 A 46 ASN H A 43 ASN HA 1.0 1.8 5.0 813 654 A 43 ASN HA A 47 GLN HE21 1.0 1.8 5.0 814 654 A 43 ASN HA A 47 GLN HE22 1.0 1.8 5.0 815 655 A 43 ASN HA A 47 GLN H 1.0 1.8 5.0 816 656 A 44 VAL HGy% A 43 ASN HBx 1.0 1.8 5.0 817 656 A 44 VAL HGy% A 43 ASN HBy 1.0 1.8 5.0 818 657 A 43 ASN HBy A 47 GLN HE21 1.0 1.8 5.0 819 657 A 43 ASN HBx A 47 GLN HE21 1.0 1.8 5.0 820 657 A 47 GLN HE22 A 43 ASN HBx 1.0 1.8 5.0 821 657 A 43 ASN HBy A 47 GLN HE22 1.0 1.8 5.0 822 658 A 43 ASN H A 44 VAL H 1.0 1.8 3.5 823 659 A 44 VAL HA A 47 GLN HBx 1.0 1.8 5.0 824 659 A 44 VAL HA A 47 GLN HBy 1.0 1.8 5.0 825 660 A 47 GLN H A 44 VAL HA 1.0 1.8 5.0 826 661 A 44 VAL HA A 48 ARG HDx 1.0 1.8 5.0 827 661 A 44 VAL HA A 48 ARG HDy 1.0 1.8 5.0 828 662 A 44 VAL HA A 48 ARG HGx 1.0 1.8 5.0 829 662 A 44 VAL HA A 48 ARG HGy 1.0 1.8 5.0 830 663 A 44 VAL HA A 48 ARG H 1.0 1.8 5.0 831 664 A 44 VAL HGx% A 48 ARG HBx 1.0 1.8 5.0 832 664 A 44 VAL HGx% A 48 ARG HBy 1.0 1.8 5.0 833 665 A 44 VAL HGx% A 48 ARG HDx 1.0 1.8 5.0 834 665 A 44 VAL HGx% A 48 ARG HDy 1.0 1.8 5.0 835 666 A 44 VAL HGx% A 48 ARG H 1.0 1.8 5.0 836 667 A 44 VAL HGx% A 49 VAL HGy% 1.0 1.8 5.0 837 668 A 44 VAL HGx% A 49 VAL H 1.0 1.8 5.0 838 669 A 45 LEU HA A 49 VAL HB 1.0 1.8 5.0 839 670 A 45 LEU HA A 49 VAL HGx% 1.0 1.8 5.0 840 671 A 49 VAL H A 45 LEU HA 1.0 1.8 5.0 841 672 A 46 ASN HD2y A 45 LEU HBx 1.0 1.8 5.0 842 672 A 46 ASN HD2x A 45 LEU HBy 1.0 1.8 5.0 843 672 A 46 ASN HD2y A 45 LEU HBy 1.0 1.8 5.0 844 672 A 46 ASN HD2x A 45 LEU HBx 1.0 1.8 5.0 845 673 A 49 VAL HGy% A 45 LEU HBx 1.0 1.8 5.0 846 673 A 49 VAL HGy% A 45 LEU HBy 1.0 1.8 5.0 847 674 A 45 LEU HDx% A 57 ILE HG2% 1.0 1.8 5.0 848 675 A 45 LEU HDx% A 58 ALA HA 1.0 1.8 5.0 849 676 A 45 LEU HDx% A 58 ALA HB% 1.0 1.8 5.0 850 677 A 45 LEU HDx% A 58 ALA H 1.0 1.8 5.0 851 678 A 49 VAL HB A 45 LEU HDy% 1.0 1.8 5.0 852 679 A 49 VAL HGy% A 45 LEU HDy% 1.0 1.8 5.0 853 680 A 57 ILE HG2% A 45 LEU HDy% 1.0 1.8 5.0 854 681 A 58 ALA H A 45 LEU HDy% 1.0 1.8 5.0 855 682 A 46 ASN H A 47 GLN HGx 1.0 1.8 5.0 856 682 A 46 ASN H A 47 GLN HGy 1.0 1.8 5.0 857 683 A 49 VAL H A 47 GLN HA 1.0 1.8 5.0 858 684 A 47 GLN H A 48 ARG HGx 1.0 1.8 5.0 859 684 A 47 GLN H A 48 ARG HGy 1.0 1.8 5.0 860 685 A 47 GLN H A 49 VAL HGx% 1.0 1.8 5.0 861 686 A 47 GLN H A 49 VAL H 1.0 1.8 5.0 862 687 A 48 ARG H A 49 VAL HB 1.0 1.8 5.0 863 688 A 49 VAL HA A 50 ALA HB% 1.0 1.8 5.0 864 689 A 57 ILE HD1% A 49 VAL HA 1.0 1.8 7.0 865 690 A 57 ILE HD1% A 49 VAL HB 1.0 1.8 7.0 866 691 A 49 VAL HGx% A 50 ALA HA 1.0 1.8 5.0 867 692 A 49 VAL HGx% A 50 ALA HB% 1.0 1.8 5.0 868 693 A 49 VAL HGx% A 53 GLN HBy 1.0 1.8 5.0 869 693 A 49 VAL HGx% A 53 GLN HBx 1.0 1.8 5.0 870 694 A 49 VAL HGx% A 53 GLN HGx 1.0 1.8 5.0 871 694 A 49 VAL HGx% A 53 GLN HGy 1.0 1.8 5.0 872 695 A 49 VAL HGx% A 53 GLN H 1.0 1.8 5.0 873 696 A 49 VAL HGx% A 54 ARG HA 1.0 1.8 5.0 874 697 A 49 VAL HGx% A 54 ARG HGx 1.0 1.8 5.0 875 697 A 49 VAL HGx% A 54 ARG HGy 1.0 1.8 5.0 876 698 A 49 VAL HGx% A 54 ARG H 1.0 1.8 5.0 877 699 A 49 VAL HGx% A 57 ILE HA 1.0 1.8 7.0 878 700 A 49 VAL HGx% A 57 ILE HB 1.0 1.8 7.4 879 701 A 57 ILE HD1% A 49 VAL HGx% 1.0 1.8 7.0 880 702 A 57 ILE HG2% A 49 VAL HGx% 1.0 1.8 7.0 881 703 A 49 VAL HGy% A 54 ARG H 1.0 1.8 5.0 882 704 A 49 VAL HGy% A 57 ILE HA 1.0 1.8 7.0 883 705 A 49 VAL HGy% A 57 ILE HB 1.0 1.8 7.4 884 706 A 57 ILE HD1% A 49 VAL HGy% 1.0 1.8 7.0 885 707 A 57 ILE HG2% A 49 VAL HGy% 1.0 1.8 7.0 886 708 A 49 VAL H A 54 ARG HH1% 1.0 1.8 5.0 887 708 A 49 VAL H A 54 ARG HH2% 1.0 1.8 5.0 888 709 A 50 ALA HA A 51 ALA HA 1.0 1.8 5.0 889 710 A 50 ALA HA A 51 ALA H 1.0 1.8 2.9 890 711 A 50 ALA HA A 53 GLN HBy 1.0 1.8 5.0 891 712 A 50 ALA HA A 53 GLN HBx 1.0 1.8 5.0 892 713 A 50 ALA HB% A 53 GLN H 1.0 1.8 5.0 893 714 A 50 ALA HB% A 54 ARG H 1.0 1.8 5.0 894 715 A 50 ALA H A 53 GLN HBy 1.0 1.8 5.0 895 715 A 53 GLN HBx A 50 ALA H 1.0 1.8 5.0 896 716 A 53 GLN H A 50 ALA H 1.0 1.8 5.0 897 717 A 57 ILE HD1% A 50 ALA H 1.0 1.8 5.0 898 718 A 57 ILE HG2% A 50 ALA H 1.0 1.8 5.0 899 719 A 53 GLN H A 51 ALA HA 1.0 1.8 5.0 900 720 A 51 ALA HA A 54 ARG HBy 1.0 1.8 5.0 901 721 A 51 ALA HA A 54 ARG HBx 1.0 1.8 5.0 902 722 A 51 ALA HA A 54 ARG HDx 1.0 1.8 5.0 903 722 A 51 ALA HA A 54 ARG HDy 1.0 1.8 5.0 904 723 A 51 ALA HA A 54 ARG HE 1.0 1.8 5.0 905 724 A 51 ALA HA A 54 ARG HGx 1.0 1.8 5.0 906 724 A 54 ARG HGy A 51 ALA HA 1.0 1.8 5.0 907 725 A 51 ALA HA A 54 ARG HH1% 1.0 1.8 5.0 908 726 A 51 ALA HA A 54 ARG HH2% 1.0 1.8 5.0 909 727 A 54 ARG H A 51 ALA HA 1.0 1.8 5.0 910 728 A 51 ALA HB% A 52 SER HA 1.0 1.8 5.0 911 729 A 51 ALA HB% A 54 ARG HH1% 1.0 1.8 5.0 912 730 A 51 ALA HB% A 54 ARG HH2% 1.0 1.8 5.0 913 731 A 51 ALA H A 53 GLN HBy 1.0 1.8 5.0 914 731 A 53 GLN HBx A 51 ALA H 1.0 1.8 5.0 915 732 A 53 GLN H A 51 ALA H 1.0 1.8 5.0 916 733 A 51 ALA H A 54 ARG HE 1.0 1.8 5.0 917 734 A 51 ALA H A 54 ARG HH1% 1.0 1.8 5.0 918 735 A 51 ALA H A 54 ARG HH2% 1.0 1.8 5.0 919 736 A 54 ARG H A 52 SER HA 1.0 1.8 5.0 920 737 A 52 SER HBx A 53 GLN HE21 1.0 1.8 5.0 921 737 A 52 SER HBy A 53 GLN HE21 1.0 1.8 5.0 922 737 A 53 GLN HE22 A 52 SER HBx 1.0 1.8 5.0 923 737 A 52 SER HBy A 53 GLN HE22 1.0 1.8 5.0 924 738 A 54 ARG H A 52 SER HBx 1.0 1.8 5.0 925 738 A 54 ARG H A 52 SER HBy 1.0 1.8 5.0 926 739 A 52 SER H A 53 GLN HBy 1.0 1.8 5.0 927 739 A 53 GLN HBx A 52 SER H 1.0 1.8 5.0 928 740 A 53 GLN H A 52 SER H 1.0 1.8 3.5 929 741 A 54 ARG H A 52 SER H 1.0 1.8 5.0 930 742 A 53 GLN HA A 55 LYS H 1.0 1.8 5.0 931 743 A 53 GLN HA A 56 LEU HDx% 1.0 1.8 5.0 932 744 A 53 GLN HA A 56 LEU H 1.0 1.8 5.0 933 745 A 53 GLN HA A 57 ILE H 1.0 1.8 5.0 934 746 A 57 ILE HD1% A 53 GLN HBy 1.0 1.8 5.0 935 747 A 57 ILE HD1% A 53 GLN HBx 1.0 1.8 5.0 936 748 A 57 ILE H A 53 GLN HBy 1.0 1.8 5.0 937 748 A 53 GLN HBx A 57 ILE H 1.0 1.8 5.0 938 749 A 56 LEU HDx% A 53 GLN HE21 1.0 1.8 5.0 939 749 A 53 GLN HE22 A 56 LEU HDx% 1.0 1.8 5.0 940 750 A 57 ILE HD1% A 53 GLN HE21 1.0 1.8 5.0 941 750 A 57 ILE HD1% A 53 GLN HE22 1.0 1.8 5.0 942 751 A 56 LEU HDx% A 53 GLN HGx 1.0 1.8 5.0 943 751 A 53 GLN HGy A 56 LEU HDx% 1.0 1.8 5.0 944 752 A 57 ILE HD1% A 53 GLN HGx 1.0 1.8 5.0 945 752 A 57 ILE HD1% A 53 GLN HGy 1.0 1.8 5.0 946 753 A 57 ILE H A 53 GLN HGx 1.0 1.8 5.0 947 753 A 53 GLN HGy A 57 ILE H 1.0 1.8 5.0 948 754 A 53 GLN H A 54 ARG HA 1.0 1.8 5.0 949 755 A 53 GLN H A 54 ARG H 1.0 1.8 3.5 950 756 A 54 ARG HA A 57 ILE HB 1.0 1.8 5.0 951 757 A 57 ILE HD1% A 54 ARG HA 1.0 1.8 5.0 952 758 A 57 ILE HG2% A 54 ARG HA 1.0 1.8 5.0 953 759 A 54 ARG HA A 57 ILE H 1.0 1.8 5.0 954 760 A 58 ALA H A 54 ARG HA 1.0 1.8 5.0 955 761 A 57 ILE HG2% A 54 ARG HBx 1.0 1.8 5.0 956 761 A 57 ILE HG2% A 54 ARG HBy 1.0 1.8 5.0 957 762 A 54 ARG H A 55 LYS H 1.0 1.8 3.5 958 763 A 54 ARG H A 56 LEU H 1.0 1.8 5.0 959 764 A 58 ALA HB% A 55 LYS HA 1.0 1.8 5.0 960 765 A 58 ALA H A 55 LYS HA 1.0 1.8 5.0 961 766 A 58 ALA HB% A 55 LYS HBx 1.0 1.8 5.0 962 766 A 58 ALA HB% A 55 LYS HBy 1.0 1.8 5.0 963 767 A 58 ALA HB% A 55 LYS HEx 1.0 1.8 5.0 964 767 A 58 ALA HB% A 55 LYS HEy 1.0 1.8 5.0 965 768 A 55 LYS H A 56 LEU H 1.0 1.8 3.5 966 769 A 58 ALA H A 56 LEU HA 1.0 1.8 5.0 967 770 A 56 LEU HA A 59 GLU HBx 1.0 1.8 5.0 968 770 A 56 LEU HA A 59 GLU HBy 1.0 1.8 5.0 969 771 A 56 LEU HA A 59 GLU HGx 1.0 1.8 5.0 970 771 A 56 LEU HA A 59 GLU HGy 1.0 1.8 5.0 971 772 A 56 LEU HA A 59 GLU H 1.0 1.8 5.0 972 773 A 56 LEU HA A 60 LYS H 1.0 1.8 5.0 973 774 A 56 LEU HDx% A 60 LYS HDx 1.0 1.8 5.0 974 774 A 56 LEU HDx% A 60 LYS HDy 1.0 1.8 5.0 975 775 A 56 LEU HDy% A 59 GLU HGx 1.0 1.8 5.0 976 775 A 59 GLU HGy A 56 LEU HDy% 1.0 1.8 5.0 977 776 A 56 LEU HDy% A 60 LYS HDx 1.0 1.8 5.0 978 776 A 60 LYS HDy A 56 LEU HDy% 1.0 1.8 5.0 979 777 A 60 LYS H A 56 LEU HDy% 1.0 1.8 5.0 980 778 A 56 LEU H A 57 ILE H 1.0 1.8 3.5 981 779 A 58 ALA H A 56 LEU H 1.0 1.8 5.0 982 780 A 57 ILE HA A 59 GLU H 1.0 1.8 5.0 983 781 A 57 ILE HA A 60 LYS HBy 1.0 1.8 5.0 984 782 A 57 ILE HA A 60 LYS HBx 1.0 1.8 5.0 985 783 A 57 ILE HA A 60 LYS H 1.0 1.8 5.0 986 784 A 57 ILE HA A 61 PHE H 1.0 1.8 5.0 987 785 A 57 ILE HD1% A 60 LYS HBy 1.0 1.8 5.0 988 785 A 57 ILE HD1% A 60 LYS HBx 1.0 1.8 5.0 989 786 A 57 ILE HD1% A 60 LYS HDx 1.0 1.8 5.0 990 786 A 57 ILE HD1% A 60 LYS HDy 1.0 1.8 5.0 991 787 A 57 ILE HD1% A 60 LYS HEx 1.0 1.8 5.0 992 787 A 57 ILE HD1% A 60 LYS HEy 1.0 1.8 5.0 993 788 A 57 ILE HG2% A 58 ALA HA 1.0 1.8 5.0 994 789 A 58 ALA HB% A 57 ILE HG2% 1.0 1.8 5.0 995 790 A 57 ILE HG2% A 60 LYS HBy 1.0 1.8 5.0 996 790 A 57 ILE HG2% A 60 LYS HBx 1.0 1.8 5.0 997 791 A 58 ALA H A 57 ILE H 1.0 1.8 3.5 998 792 A 57 ILE H A 59 GLU H 1.0 1.8 5.0 999 793 A 58 ALA HA A 61 PHE HBy 1.0 1.8 5.0 1000 794 A 61 PHE HBx A 58 ALA HA 1.0 1.8 5.0 1001 795 A 61 PHE HD% A 58 ALA HA 1.0 1.8 5.0 1002 796 A 58 ALA HA A 61 PHE H 1.0 1.8 5.0 1003 797 A 62 ALA H A 58 ALA HA 1.0 1.8 5.0 1004 798 A 58 ALA HB% A 59 GLU HA 1.0 1.8 5.0 1005 799 A 58 ALA HB% A 59 GLU HBx 1.0 1.8 5.0 1006 799 A 58 ALA HB% A 59 GLU HBy 1.0 1.8 5.0 1007 800 A 58 ALA HB% A 60 LYS H 1.0 1.8 5.0 1008 801 A 58 ALA H A 59 GLU HBx 1.0 1.8 5.0 1009 801 A 58 ALA H A 59 GLU HBy 1.0 1.8 5.0 1010 802 A 58 ALA H A 59 GLU H 1.0 1.8 3.5 1011 803 A 58 ALA H A 60 LYS H 1.0 1.8 5.0 1012 804 A 59 GLU HA A 62 ALA HB% 1.0 1.8 5.0 1013 805 A 62 ALA H A 59 GLU HA 1.0 1.8 5.0 1014 806 A 59 GLU HA A 63 GLN H 1.0 1.8 5.0 1015 807 A 62 ALA HB% A 59 GLU HGx 1.0 1.8 5.0 1016 807 A 59 GLU HGy A 62 ALA HB% 1.0 1.8 5.0 1017 808 A 60 LYS HA A 63 GLN HBx 1.0 1.8 5.0 1018 808 A 60 LYS HA A 63 GLN HBy 1.0 1.8 5.0 1019 809 A 60 LYS HA A 63 GLN HGx 1.0 1.8 5.0 1020 809 A 60 LYS HA A 63 GLN HGy 1.0 1.8 5.0 1021 810 A 63 GLN H A 60 LYS HA 1.0 1.8 5.0 1022 811 A 60 LYS HA A 64 ALA H 1.0 1.8 5.0 1023 812 A 60 LYS H A 61 PHE HBy 1.0 1.8 5.0 1024 812 A 61 PHE HBx A 60 LYS H 1.0 1.8 5.0 1025 813 A 60 LYS H A 61 PHE H 1.0 1.8 3.5 1026 814 A 60 LYS H A 62 ALA HB% 1.0 1.8 5.0 1027 815 A 62 ALA H A 60 LYS H 1.0 1.8 5.0 1028 816 A 61 PHE HA A 64 ALA HB% 1.0 1.8 5.0 1029 817 A 61 PHE HA A 64 ALA H 1.0 1.8 5.0 1030 818 A 61 PHE HA A 65 LEU H 1.0 1.8 5.0 1031 819 A 63 GLN H A 61 PHE HBy 1.0 1.8 5.0 1032 819 A 61 PHE HBx A 63 GLN H 1.0 1.8 5.0 1033 820 A 61 PHE HD% A 62 ALA HB% 1.0 1.8 5.0 1034 821 A 61 PHE HD% A 64 ALA HB% 1.0 1.8 5.0 1035 822 A 61 PHE HD% A 65 LEU HDx% 1.0 1.8 5.0 1036 823 A 61 PHE HD% A 65 LEU HDy% 1.0 1.8 5.0 1037 824 A 61 PHE HE% A 62 ALA HB% 1.0 1.8 5.0 1038 825 A 61 PHE HE% A 65 LEU HDx% 1.0 1.8 5.0 1039 826 A 61 PHE HE% A 65 LEU HDy% 1.0 1.8 5.0 1040 827 A 61 PHE H A 62 ALA HB% 1.0 1.8 5.0 1041 828 A 62 ALA H A 61 PHE H 1.0 1.8 3.5 1042 829 A 62 ALA HA A 65 LEU HBy 1.0 1.8 5.0 1043 830 A 62 ALA HA A 65 LEU HBx 1.0 1.8 5.0 1044 831 A 65 LEU HDx% A 62 ALA HA 1.0 1.8 5.0 1045 832 A 65 LEU H A 62 ALA HA 1.0 1.8 5.0 1046 833 A 62 ALA HA A 66 MET H 1.0 1.8 5.0 1047 834 A 62 ALA HB% A 63 GLN HBx 1.0 1.8 5.0 1048 834 A 62 ALA HB% A 63 GLN HBy 1.0 1.8 5.0 1049 835 A 62 ALA HB% A 64 ALA H 1.0 1.8 5.0 1050 836 A 62 ALA HB% A 65 LEU HBy 1.0 1.8 5.0 1051 836 A 62 ALA HB% A 65 LEU HBx 1.0 1.8 5.0 1052 837 A 65 LEU HDy% A 62 ALA HB% 1.0 1.8 5.0 1053 838 A 66 MET HE% A 62 ALA HB% 1.0 1.8 5.0 1054 839 A 62 ALA HB% A 66 MET HGx 1.0 1.8 5.0 1055 839 A 62 ALA HB% A 66 MET HGy 1.0 1.8 5.0 1056 840 A 62 ALA H A 63 GLN HBx 1.0 1.8 5.0 1057 840 A 62 ALA H A 63 GLN HBy 1.0 1.8 5.0 1058 841 A 62 ALA H A 63 GLN H 1.0 1.8 3.5 1059 842 A 62 ALA H A 64 ALA H 1.0 1.8 5.0 1060 843 A 62 ALA H A 65 LEU HBy 1.0 1.8 5.0 1061 843 A 62 ALA H A 65 LEU HBx 1.0 1.8 5.0 1062 844 A 65 LEU H A 63 GLN HA 1.0 1.8 5.0 1063 845 A 66 MET HE% A 63 GLN HA 1.0 1.8 5.0 1064 846 A 63 GLN HA A 66 MET HGx 1.0 1.8 5.0 1065 846 A 66 MET HGy A 63 GLN HA 1.0 1.8 5.0 1066 847 A 66 MET H A 63 GLN HA 1.0 1.8 5.0 1067 848 A 63 GLN HA A 67 SER H 1.0 1.8 5.0 1068 849 A 64 ALA HA A 63 GLN HBx 1.0 1.8 5.0 1069 849 A 63 GLN HBy A 64 ALA HA 1.0 1.8 5.0 1070 850 A 64 ALA HB% A 63 GLN HBx 1.0 1.8 5.0 1071 850 A 63 GLN HBy A 64 ALA HB% 1.0 1.8 5.0 1072 851 A 63 GLN HBx A 67 SER HBx 1.0 1.8 5.0 1073 851 A 67 SER HBy A 63 GLN HBx 1.0 1.8 5.0 1074 851 A 63 GLN HBy A 67 SER HBy 1.0 1.8 5.0 1075 851 A 63 GLN HBy A 67 SER HBx 1.0 1.8 5.0 1076 852 A 63 GLN H A 64 ALA HB% 1.0 1.8 5.0 1077 853 A 63 GLN H A 64 ALA H 1.0 1.8 3.5 1078 854 A 63 GLN H A 65 LEU H 1.0 1.8 5.0 1079 855 A 64 ALA HA A 67 SER HBx 1.0 1.8 5.0 1080 855 A 64 ALA HA A 67 SER HBy 1.0 1.8 5.0 1081 856 A 64 ALA HB% A 65 LEU HBy 1.0 1.8 5.0 1082 856 A 64 ALA HB% A 65 LEU HBx 1.0 1.8 5.0 1083 857 A 64 ALA HB% A 67 SER HBx 1.0 1.8 5.0 1084 857 A 64 ALA HB% A 67 SER HBy 1.0 1.8 5.0 1085 858 A 64 ALA HB% A 67 SER H 1.0 1.8 5.0 1086 859 A 64 ALA H A 65 LEU HBy 1.0 1.8 5.0 1087 859 A 64 ALA H A 65 LEU HBx 1.0 1.8 5.0 1088 860 A 64 ALA H A 65 LEU H 1.0 1.8 3.5 1089 861 A 65 LEU HA A 68 SER HBx 1.0 1.8 5.0 1090 861 A 65 LEU HA A 68 SER HBy 1.0 1.8 5.0 1091 862 A 68 SER H A 65 LEU HBy 1.0 1.8 5.0 1092 862 A 65 LEU HBx A 68 SER H 1.0 1.8 5.0 1093 863 A 65 LEU HDx% A 66 MET HE% 1.0 1.8 5.0 1094 864 A 65 LEU HDy% A 66 MET HE% 1.0 1.8 5.0 1095 865 A 65 LEU H A 66 MET H 1.0 1.8 3.5 1096 866 A 66 MET HA A 69 LEU HBx 1.0 1.8 5.0 1097 866 A 66 MET HA A 69 LEU HBy 1.0 1.8 5.0 1098 867 A 66 MET HA A 69 LEU HDx% 1.0 1.8 5.0 1099 868 A 66 MET HA A 69 LEU HDy% 1.0 1.8 5.0 1100 869 A 66 MET HA A 69 LEU HG 1.0 1.8 5.0 1101 870 A 66 MET HA A 69 LEU H 1.0 1.8 5.0 1102 871 A 68 SER H A 66 MET HBx 1.0 1.8 5.0 1103 871 A 68 SER H A 66 MET HBy 1.0 1.8 5.0 1104 872 A 66 MET HE% A 69 LEU HDx% 1.0 1.8 5.0 1105 873 A 66 MET HE% A 69 LEU HDy% 1.0 1.8 5.0 1106 874 A 66 MET H A 67 SER HBx 1.0 1.8 5.0 1107 874 A 66 MET H A 67 SER HBy 1.0 1.8 5.0 1108 875 A 66 MET H A 67 SER H 1.0 1.8 3.5 1109 876 A 66 MET H A 68 SER H 1.0 1.8 5.0 1110 877 A 66 MET H A 69 LEU HBx 1.0 1.8 5.0 1111 877 A 66 MET H A 69 LEU HBy 1.0 1.8 5.0 1112 878 A 69 LEU H A 67 SER HA 1.0 1.8 5.0 1113 879 A 67 SER H A 68 SER HBx 1.0 1.8 5.0 1114 879 A 68 SER HBy A 67 SER H 1.0 1.8 5.0 1115 880 A 67 SER H A 68 SER H 1.0 1.8 3.5 1116 881 A 67 SER H A 69 LEU HBx 1.0 1.8 5.0 1117 881 A 67 SER H A 69 LEU HBy 1.0 1.8 5.0 1118 882 A 67 SER H A 69 LEU H 1.0 1.8 5.0 1119 883 A 68 SER H A 69 LEU HBx 1.0 1.8 5.0 1120 883 A 68 SER H A 69 LEU HBy 1.0 1.8 5.0 1121 884 A 68 SER H A 69 LEU H 1.0 1.8 3.5 1122 885 A 69 LEU HDy% A 71 THR H 1.0 1.8 5.0 1123 886 A 71 THR HA A 72 PRO HDy 1.0 1.8 4.0 1124 887 A 72 PRO HDx A 71 THR HA 1.0 1.8 4.0 1125 888 A 71 THR HA A 72 PRO HGx 1.0 1.8 5.0 1126 888 A 72 PRO HGy A 71 THR HA 1.0 1.8 5.0 1127 889 A 71 THR HB A 72 PRO HDy 1.0 1.8 5.0 1128 889 A 72 PRO HDx A 71 THR HB 1.0 1.8 5.0 1129 890 A 71 THR HG2% A 72 PRO HDy 1.0 1.8 5.0 1130 890 A 72 PRO HDx A 71 THR HG2% 1.0 1.8 5.0 1131 891 A 71 THR H A 72 PRO HDy 1.0 1.8 5.0 1132 891 A 72 PRO HDx A 71 THR H 1.0 1.8 5.0 1133 892 A 72 PRO HA A 73 LYS HBx 1.0 1.8 5.0 1134 892 A 72 PRO HA A 73 LYS HBy 1.0 1.8 5.0 1135 893 A 72 PRO HA A 73 LYS HGx 1.0 1.8 5.0 1136 893 A 72 PRO HA A 73 LYS HGy 1.0 1.8 5.0 1137 894 A 72 PRO HDx A 73 LYS HGx 1.0 1.8 5.0 1138 894 A 72 PRO HDy A 73 LYS HGx 1.0 1.8 5.0 1139 894 A 73 LYS HGy A 72 PRO HDy 1.0 1.8 5.0 1140 894 A 72 PRO HDx A 73 LYS HGy 1.0 1.8 5.0 1141 895 A 73 LYS HA A 74 THR HG2% 1.0 1.8 5.0 1142 896 A 76 LEU HDx% A 76 LEU HG 1.0 1.8 5.0 1143 897 B 4 THR HG21 B 3 ILE HD11 1.0 1.8 5.0 1144 898 B 4 THR HG21 B 5 SER HA 1.0 1.8 5.0 1145 899 B 4 THR HG21 B 5 SER HBx 1.0 1.8 5.0 1146 899 B 4 THR HG21 B 5 SER HBy 1.0 1.8 5.0 1147 900 B 4 THR HG21 B 7 TYR HD% 1.0 1.8 5.0 1148 901 B 4 THR HG21 B 7 TYR HE% 1.0 1.8 5.0 1149 902 B 5 SER HA B 6 LYS HBx 1.0 1.8 5.0 1150 902 B 5 SER HA B 6 LYS HBy 1.0 1.8 5.0 1151 903 B 5 SER HA B 7 TYR H 1.0 1.8 5.0 1152 904 B 5 SER HBy B 7 TYR H 1.0 1.8 5.0 1153 905 B 7 TYR H B 5 SER HBx 1.0 1.8 5.0 1154 906 B 7 TYR HE% B 5 SER HBx 1.0 1.8 5.0 1155 906 B 7 TYR HE% B 5 SER HBy 1.0 1.8 5.0 1156 907 B 7 TYR HA B 8 THR H 1.0 1.8 2.9 1157 908 B 7 TYR HBy B 11 GLN HBx 1.0 1.8 5.0 1158 908 B 11 GLN HBy B 7 TYR HBx 1.0 1.8 5.0 1159 908 B 7 TYR HBy B 11 GLN HBy 1.0 1.8 5.0 1160 908 B 7 TYR HBx B 11 GLN HBx 1.0 1.8 5.0 1161 909 B 12 VAL HG11 B 7 TYR HBx 1.0 1.8 5.0 1162 909 B 7 TYR HBy B 12 VAL HG11 1.0 1.8 5.0 1163 910 B 12 VAL HG21 B 7 TYR HBx 1.0 1.8 5.0 1164 910 B 7 TYR HBy B 12 VAL HG21 1.0 1.8 5.0 1165 911 B 12 VAL H B 7 TYR HBx 1.0 1.8 5.0 1166 911 B 7 TYR HBy B 12 VAL H 1.0 1.8 5.0 1167 912 B 7 TYR HD% B 12 VAL HG21 1.0 1.8 5.0 1168 913 B 7 TYR HE% B 12 VAL HG21 1.0 1.8 5.0 1169 914 B 8 THR HA B 11 GLN HBx 1.0 1.8 5.0 1170 914 B 11 GLN HBy B 8 THR HA 1.0 1.8 5.0 1171 915 B 8 THR HA B 11 GLN H 1.0 1.8 5.0 1172 916 B 11 GLN H B 8 THR HB 1.0 1.8 5.0 1173 917 B 8 THR HG21 B 11 GLN HBx 1.0 1.8 5.0 1174 917 B 11 GLN HBy B 8 THR HG21 1.0 1.8 5.0 1175 918 B 8 THR HG21 B 11 GLN HE2x 1.0 1.8 5.0 1176 918 B 11 GLN HE2y B 8 THR HG21 1.0 1.8 5.0 1177 919 B 8 THR HG21 B 11 GLN HGx 1.0 1.8 5.0 1178 919 B 11 GLN HGy B 8 THR HG21 1.0 1.8 5.0 1179 920 B 11 GLN H B 8 THR HG21 1.0 1.8 5.0 1180 921 B 8 THR H B 11 GLN HBx 1.0 1.8 5.0 1181 921 B 11 GLN HBy B 8 THR H 1.0 1.8 5.0 1182 922 B 9 ASP HA B 12 VAL HB 1.0 1.8 5.0 1183 923 B 12 VAL HG11 B 9 ASP HA 1.0 1.8 5.0 1184 924 B 12 VAL HG21 B 9 ASP HA 1.0 1.8 5.0 1185 925 B 12 VAL H B 9 ASP HA 1.0 1.8 5.0 1186 926 B 9 ASP HA B 13 GLU H 1.0 1.8 5.0 1187 927 B 12 VAL HG21 B 9 ASP HBx 1.0 1.8 5.0 1188 927 B 12 VAL HG21 B 9 ASP HBy 1.0 1.8 5.0 1189 928 B 11 GLN H B 9 ASP H 1.0 1.8 5.0 1190 929 B 10 GLU HA B 13 GLU HBx 1.0 1.8 5.0 1191 929 B 10 GLU HA B 13 GLU HBy 1.0 1.8 5.0 1192 930 B 13 GLU H B 10 GLU HA 1.0 1.8 5.0 1193 931 B 10 GLU HA B 14 LYS H 1.0 1.8 5.0 1194 932 B 10 GLU HBx B 14 LYS HEx 1.0 1.8 5.0 1195 932 B 10 GLU HBy B 14 LYS HEx 1.0 1.8 5.0 1196 932 B 14 LYS HEy B 10 GLU HBx 1.0 1.8 5.0 1197 932 B 10 GLU HBy B 14 LYS HEy 1.0 1.8 5.0 1198 933 B 11 GLN H B 10 GLU H 1.0 1.8 2.9 1199 934 B 12 VAL H B 10 GLU H 1.0 1.8 5.0 1200 935 B 11 GLN HA B 14 LYS HBx 1.0 1.8 5.0 1201 935 B 11 GLN HA B 14 LYS HBy 1.0 1.8 5.0 1202 936 B 14 LYS H B 11 GLN HA 1.0 1.8 5.0 1203 937 B 12 VAL HG21 B 11 GLN HBx 1.0 1.8 5.0 1204 937 B 11 GLN HBy B 12 VAL HG21 1.0 1.8 5.0 1205 938 B 13 GLU H B 11 GLN HBx 1.0 1.8 5.0 1206 938 B 11 GLN HBy B 13 GLU H 1.0 1.8 5.0 1207 939 B 15 ILE HD11 B 11 GLN HBx 1.0 1.8 5.0 1208 939 B 15 ILE HD11 B 11 GLN HBy 1.0 1.8 5.0 1209 940 B 15 ILE HD11 B 11 GLN HGx 1.0 1.8 5.0 1210 940 B 15 ILE HD11 B 11 GLN HGy 1.0 1.8 5.0 1211 941 B 12 VAL H B 11 GLN H 1.0 1.8 3.5 1212 942 B 11 GLN H B 13 GLU H 1.0 1.8 5.0 1213 943 B 12 VAL HA B 15 ILE HB 1.0 1.8 5.0 1214 944 B 15 ILE HD11 B 12 VAL HA 1.0 1.8 5.0 1215 945 B 12 VAL HA B 15 ILE HG21 1.0 1.8 5.0 1216 946 B 12 VAL HA B 15 ILE H 1.0 1.8 5.0 1217 947 B 12 VAL HA B 16 LEU H 1.0 1.8 5.0 1218 948 B 12 VAL HG11 B 13 GLU HA 1.0 1.8 5.0 1219 949 B 12 VAL HG11 B 14 LYS H 1.0 1.8 5.0 1220 950 B 15 ILE HD11 B 12 VAL HG11 1.0 1.8 5.0 1221 951 B 12 VAL HG11 B 15 ILE HG21 1.0 1.8 5.0 1222 952 B 12 VAL HG11 B 16 LEU HD11 1.0 1.8 5.0 1223 953 B 16 LEU HD21 B 12 VAL HG11 1.0 1.8 5.0 1224 954 B 12 VAL HG11 B 16 LEU HG 1.0 1.8 5.0 1225 955 B 12 VAL HG11 B 16 LEU H 1.0 1.8 5.0 1226 956 B 15 ILE HD11 B 12 VAL HG21 1.0 1.8 5.0 1227 957 B 12 VAL H B 13 GLU H 1.0 1.8 3.5 1228 958 B 13 GLU HA B 16 LEU HBy 1.0 1.8 5.0 1229 959 B 16 LEU HBx B 13 GLU HA 1.0 1.8 5.0 1230 960 B 16 LEU HD11 B 13 GLU HA 1.0 1.8 5.0 1231 961 B 16 LEU H B 13 GLU HA 1.0 1.8 5.0 1232 962 B 13 GLU HA B 17 ALA H 1.0 1.8 5.0 1233 963 B 13 GLU HBx B 14 LYS HEx 1.0 1.8 5.0 1234 963 B 13 GLU HBy B 14 LYS HEx 1.0 1.8 5.0 1235 963 B 14 LYS HEy B 13 GLU HBx 1.0 1.8 5.0 1236 963 B 13 GLU HBy B 14 LYS HEy 1.0 1.8 5.0 1237 964 B 16 LEU HD11 B 13 GLU HBx 1.0 1.8 5.0 1238 964 B 16 LEU HD11 B 13 GLU HBy 1.0 1.8 5.0 1239 965 B 13 GLU HGx B 14 LYS HEx 1.0 1.8 5.0 1240 965 B 13 GLU HGy B 14 LYS HEx 1.0 1.8 5.0 1241 965 B 14 LYS HEy B 13 GLU HGx 1.0 1.8 5.0 1242 965 B 14 LYS HEy B 13 GLU HGy 1.0 1.8 5.0 1243 966 B 16 LEU HD11 B 13 GLU HGx 1.0 1.8 5.0 1244 966 B 16 LEU HD11 B 13 GLU HGy 1.0 1.8 5.0 1245 967 B 17 ALA HB1 B 13 GLU HGx 1.0 1.8 5.0 1246 967 B 13 GLU HGy B 17 ALA HB1 1.0 1.8 5.0 1247 968 B 13 GLU H B 14 LYS H 1.0 1.8 3.5 1248 969 B 16 LEU HD11 B 13 GLU H 1.0 1.8 5.0 1249 970 B 16 LEU H B 13 GLU H 1.0 1.8 5.0 1250 971 B 14 LYS HA B 15 ILE HA 1.0 1.8 5.0 1251 972 B 17 ALA HB1 B 14 LYS HA 1.0 1.8 5.0 1252 973 B 17 ALA H B 14 LYS HA 1.0 1.8 5.0 1253 974 B 14 LYS HA B 18 GLU H 1.0 1.8 5.0 1254 975 B 15 ILE HA B 14 LYS HBx 1.0 1.8 5.0 1255 975 B 14 LYS HBy B 15 ILE HA 1.0 1.8 5.0 1256 976 B 14 LYS HBy B 15 ILE HG1x 1.0 1.8 5.0 1257 976 B 15 ILE HG1y B 14 LYS HBx 1.0 1.8 5.0 1258 976 B 15 ILE HG1y B 14 LYS HBy 1.0 1.8 5.0 1259 976 B 14 LYS HBx B 15 ILE HG1x 1.0 1.8 5.0 1260 977 B 17 ALA HB1 B 14 LYS HDx 1.0 1.8 5.0 1261 977 B 17 ALA HB1 B 14 LYS HDy 1.0 1.8 5.0 1262 978 B 17 ALA H B 15 ILE HA 1.0 1.8 5.0 1263 979 B 18 GLU HBy B 15 ILE HA 1.0 1.8 5.0 1264 980 B 15 ILE HA B 18 GLU HBx 1.0 1.8 5.0 1265 981 B 15 ILE HA B 18 GLU HGx 1.0 1.8 5.0 1266 981 B 18 GLU HGy B 15 ILE HA 1.0 1.8 5.0 1267 982 B 15 ILE HA B 18 GLU H 1.0 1.8 5.0 1268 983 B 19 VAL HG21 B 15 ILE HA 1.0 1.8 5.0 1269 984 B 15 ILE HA B 19 VAL H 1.0 1.8 5.0 1270 985 B 15 ILE HG21 B 19 VAL HB 1.0 1.8 5.0 1271 986 B 15 ILE HG21 B 19 VAL HG21 1.0 1.8 5.0 1272 987 B 15 ILE HG21 B 19 VAL H 1.0 1.8 5.0 1273 988 B 15 ILE H B 16 LEU H 1.0 1.8 3.5 1274 989 B 15 ILE H B 17 ALA H 1.0 1.8 5.0 1275 990 B 16 LEU HA B 19 VAL HB 1.0 1.8 5.0 1276 991 B 16 LEU HA B 19 VAL HG11 1.0 1.8 5.0 1277 992 B 16 LEU HA B 19 VAL HG21 1.0 1.8 5.0 1278 993 B 16 LEU HA B 19 VAL H 1.0 1.8 5.0 1279 994 B 16 LEU HA B 20 ALA HB1 1.0 1.8 5.0 1280 995 B 16 LEU HA B 20 ALA H 1.0 1.8 5.0 1281 996 B 19 VAL HG21 B 16 LEU HBy 1.0 1.8 5.0 1282 996 B 16 LEU HBx B 19 VAL HG21 1.0 1.8 5.0 1283 997 B 16 LEU HD21 B 20 ALA H 1.0 1.8 5.0 1284 998 B 16 LEU H B 17 ALA H 1.0 1.8 3.5 1285 999 B 16 LEU H B 18 GLU H 1.0 1.8 5.0 1286 1000 B 20 ALA HB1 B 17 ALA HA 1.0 1.8 5.0 1287 1001 B 20 ALA H B 17 ALA HA 1.0 1.8 5.0 1288 1002 B 17 ALA HA B 21 LEU H 1.0 1.8 5.0 1289 1003 B 17 ALA HB1 B 21 LEU HD11 1.0 1.8 5.0 1290 1004 B 17 ALA H B 18 GLU HBx 1.0 1.8 5.0 1291 1004 B 18 GLU HBy B 17 ALA H 1.0 1.8 5.0 1292 1005 B 17 ALA H B 18 GLU HGx 1.0 1.8 5.0 1293 1005 B 18 GLU HGy B 17 ALA H 1.0 1.8 5.0 1294 1006 B 17 ALA H B 18 GLU H 1.0 1.8 3.5 1295 1007 B 17 ALA H B 19 VAL H 1.0 1.8 5.0 1296 1008 B 17 ALA H B 20 ALA H 1.0 1.8 5.0 1297 1009 B 18 GLU HA B 21 LEU HBx 1.0 1.8 5.0 1298 1009 B 18 GLU HA B 21 LEU HBy 1.0 1.8 5.0 1299 1010 B 21 LEU HD11 B 18 GLU HA 1.0 1.8 5.0 1300 1011 B 18 GLU HA B 21 LEU HD21 1.0 1.8 5.0 1301 1012 B 21 LEU H B 18 GLU HA 1.0 1.8 5.0 1302 1013 B 18 GLU HA B 22 VAL H 1.0 1.8 5.0 1303 1014 B 21 LEU H B 18 GLU HBx 1.0 1.8 5.0 1304 1014 B 18 GLU HBy B 21 LEU H 1.0 1.8 5.0 1305 1015 B 22 VAL H B 18 GLU HBx 1.0 1.8 5.0 1306 1015 B 18 GLU HBy B 22 VAL H 1.0 1.8 5.0 1307 1016 B 18 GLU H B 19 VAL H 1.0 1.8 3.5 1308 1017 B 18 GLU H B 20 ALA H 1.0 1.8 5.0 1309 1018 B 19 VAL HA B 21 LEU H 1.0 1.8 5.0 1310 1019 B 19 VAL HA B 22 VAL HB 1.0 1.8 5.0 1311 1020 B 22 VAL HG11 B 19 VAL HA 1.0 1.8 5.0 1312 1021 B 22 VAL HG21 B 19 VAL HA 1.0 1.8 5.0 1313 1022 B 19 VAL HA B 22 VAL H 1.0 1.8 5.0 1314 1023 B 19 VAL HA B 23 LEU H 1.0 1.8 5.0 1315 1024 B 19 VAL HG11 B 20 ALA HB1 1.0 1.8 5.0 1316 1025 B 19 VAL HG21 B 20 ALA HB1 1.0 1.8 5.0 1317 1026 B 19 VAL H B 20 ALA H 1.0 1.8 3.5 1318 1027 B 19 VAL H B 21 LEU H 1.0 1.8 5.0 1319 1028 B 22 VAL HG21 B 19 VAL H 1.0 1.8 5.0 1320 1029 B 20 ALA HA B 23 LEU HBx 1.0 1.8 5.0 1321 1029 B 20 ALA HA B 23 LEU HBy 1.0 1.8 5.0 1322 1030 B 23 LEU HD11 B 20 ALA HA 1.0 1.8 5.0 1323 1031 B 23 LEU HD21 B 20 ALA HA 1.0 1.8 5.0 1324 1032 B 23 LEU HG B 20 ALA HA 1.0 1.8 5.0 1325 1033 B 23 LEU H B 20 ALA HA 1.0 1.8 5.0 1326 1034 B 20 ALA HA B 24 GLU H 1.0 1.8 5.0 1327 1035 B 20 ALA HB1 B 23 LEU HBx 1.0 1.8 5.0 1328 1035 B 20 ALA HB1 B 23 LEU HBy 1.0 1.8 5.0 1329 1036 B 23 LEU HD11 B 20 ALA HB1 1.0 1.8 5.0 1330 1037 B 20 ALA H B 21 LEU H 1.0 1.8 3.5 1331 1038 B 20 ALA H B 22 VAL H 1.0 1.8 5.0 1332 1039 B 23 LEU HD11 B 20 ALA H 1.0 1.8 5.0 1333 1040 B 23 LEU H B 21 LEU HA 1.0 1.8 5.0 1334 1041 B 21 LEU HA B 24 GLU HBx 1.0 1.8 5.0 1335 1041 B 21 LEU HA B 24 GLU HBy 1.0 1.8 5.0 1336 1042 B 24 GLU H B 21 LEU HA 1.0 1.8 5.0 1337 1043 B 21 LEU HA B 25 LYS H 1.0 1.8 5.0 1338 1044 B 21 LEU HD11 B 24 GLU HBx 1.0 1.8 5.0 1339 1044 B 21 LEU HD11 B 24 GLU HBy 1.0 1.8 5.0 1340 1045 B 21 LEU HD21 B 24 GLU HBx 1.0 1.8 5.0 1341 1045 B 21 LEU HD21 B 24 GLU HBy 1.0 1.8 5.0 1342 1046 B 21 LEU HD21 B 25 LYS H 1.0 1.8 5.0 1343 1047 B 21 LEU H B 22 VAL HB 1.0 1.8 5.0 1344 1048 B 22 VAL HG21 B 21 LEU H 1.0 1.8 5.0 1345 1049 B 21 LEU H B 22 VAL H 1.0 1.8 3.5 1346 1050 B 21 LEU H B 23 LEU H 1.0 1.8 5.0 1347 1051 B 21 LEU H B 24 GLU HBx 1.0 1.8 5.0 1348 1051 B 21 LEU H B 24 GLU HBy 1.0 1.8 5.0 1349 1052 B 22 VAL HA B 25 LYS HBx 1.0 1.8 5.0 1350 1052 B 22 VAL HA B 25 LYS HBy 1.0 1.8 5.0 1351 1053 B 22 VAL HA B 25 LYS HDx 1.0 1.8 5.0 1352 1053 B 22 VAL HA B 25 LYS HDy 1.0 1.8 5.0 1353 1054 B 22 VAL HA B 25 LYS HGx 1.0 1.8 5.0 1354 1054 B 22 VAL HA B 25 LYS HGy 1.0 1.8 5.0 1355 1055 B 25 LYS H B 22 VAL HA 1.0 1.8 5.0 1356 1056 B 26 HIS HD2 B 22 VAL HA 1.0 1.8 5.0 1357 1057 B 26 HIS H B 22 VAL HA 1.0 1.8 5.0 1358 1058 B 26 HIS HD2 B 22 VAL HG11 1.0 1.8 5.0 1359 1059 B 26 HIS HD2 B 22 VAL HG21 1.0 1.8 5.0 1360 1060 B 23 LEU HD21 B 22 VAL H 1.0 1.8 5.0 1361 1061 B 22 VAL H B 23 LEU H 1.0 1.8 3.5 1362 1062 B 22 VAL H B 24 GLU H 1.0 1.8 5.0 1363 1063 B 23 LEU HA B 25 LYS H 1.0 1.8 5.0 1364 1064 B 23 LEU HA B 26 HIS H 1.0 1.8 5.0 1365 1065 B 23 LEU HA B 27 ALA H 1.0 1.8 5.0 1366 1066 B 28 ALA HB1 B 23 LEU HA 1.0 1.8 5.0 1367 1067 B 23 LEU HA B 28 ALA H 1.0 1.8 5.0 1368 1068 B 28 ALA HB1 B 23 LEU HBx 1.0 1.8 5.0 1369 1068 B 28 ALA HB1 B 23 LEU HBy 1.0 1.8 5.0 1370 1069 B 28 ALA HB1 B 23 LEU HD11 1.0 1.8 5.0 1371 1070 B 23 LEU HD11 B 33 THR HG21 1.0 1.8 5.0 1372 1071 B 36 ILE HD11 B 23 LEU HD11 1.0 1.8 5.0 1373 1072 B 28 ALA HB1 B 23 LEU HD21 1.0 1.8 5.0 1374 1073 B 23 LEU HD21 B 33 THR HA 1.0 1.8 5.0 1375 1074 B 36 ILE HD11 B 23 LEU HD21 1.0 1.8 5.0 1376 1075 B 23 LEU HD21 B 36 ILE HG21 1.0 1.8 5.0 1377 1076 B 23 LEU H B 24 GLU H 1.0 1.8 3.5 1378 1077 B 26 HIS H B 24 GLU HA 1.0 1.8 5.0 1379 1078 B 27 ALA H B 24 GLU HA 1.0 1.8 5.0 1380 1079 B 28 ALA H B 24 GLU HA 1.0 1.8 5.0 1381 1080 B 26 HIS H B 24 GLU HBx 1.0 1.8 5.0 1382 1080 B 26 HIS H B 24 GLU HBy 1.0 1.8 5.0 1383 1081 B 27 ALA H B 24 GLU HBx 1.0 1.8 5.0 1384 1081 B 24 GLU HBy B 27 ALA H 1.0 1.8 5.0 1385 1082 B 27 ALA HA B 24 GLU HGx 1.0 1.8 5.0 1386 1082 B 24 GLU HGy B 27 ALA HA 1.0 1.8 5.0 1387 1083 B 26 HIS H B 24 GLU H 1.0 1.8 5.0 1388 1084 B 27 ALA H B 25 LYS HBx 1.0 1.8 5.0 1389 1084 B 25 LYS HBy B 27 ALA H 1.0 1.8 5.0 1390 1085 B 26 HIS HD2 B 25 LYS HBx 1.0 1.8 5.0 1391 1085 B 26 HIS HD2 B 25 LYS HBy 1.0 1.8 5.0 1392 1086 B 26 HIS HD2 B 25 LYS HEx 1.0 1.8 5.0 1393 1086 B 26 HIS HD2 B 25 LYS HEy 1.0 1.8 5.0 1394 1087 B 26 HIS HD2 B 25 LYS H 1.0 1.8 5.0 1395 1088 B 26 HIS H B 25 LYS H 1.0 1.8 3.5 1396 1089 B 26 HIS HA B 28 ALA H 1.0 1.8 5.0 1397 1090 B 26 HIS HBy B 28 ALA H 1.0 1.8 5.0 1398 1091 B 26 HIS HBx B 28 ALA H 1.0 1.8 5.0 1399 1092 B 26 HIS H B 27 ALA H 1.0 1.8 3.5 1400 1093 B 26 HIS H B 28 ALA H 1.0 1.8 5.0 1401 1094 B 28 ALA HB1 B 27 ALA H 1.0 1.8 5.0 1402 1095 B 27 ALA H B 28 ALA H 1.0 1.8 3.5 1403 1096 B 28 ALA HA B 32 LEU HBy 1.0 1.8 5.0 1404 1096 B 28 ALA HA B 32 LEU HBx 1.0 1.8 5.0 1405 1097 B 32 LEU HD11 B 28 ALA HA 1.0 1.8 5.0 1406 1098 B 32 LEU HD21 B 28 ALA HA 1.0 1.8 5.0 1407 1099 B 28 ALA HB1 B 32 LEU HBy 1.0 1.8 5.0 1408 1099 B 28 ALA HB1 B 32 LEU HBx 1.0 1.8 5.0 1409 1100 B 32 LEU HD11 B 28 ALA HB1 1.0 1.8 5.0 1410 1101 B 32 LEU HD21 B 28 ALA HB1 1.0 1.8 5.0 1411 1102 B 28 ALA HB1 B 32 LEU HG 1.0 1.8 5.0 1412 1103 B 28 ALA HB1 B 32 LEU H 1.0 1.8 5.0 1413 1104 B 28 ALA HB1 B 33 THR HA 1.0 1.8 5.0 1414 1105 B 28 ALA HB1 B 33 THR H 1.0 1.8 5.0 1415 1106 B 36 ILE HD11 B 28 ALA HB1 1.0 1.8 5.0 1416 1107 B 32 LEU HD21 B 28 ALA H 1.0 1.8 5.0 1417 1108 B 29 SER HA B 30 PRO HDx 1.0 1.8 5.0 1418 1108 B 29 SER HA B 30 PRO HDy 1.0 1.8 5.0 1419 1109 B 29 SER HA B 30 PRO HGx 1.0 1.8 5.0 1420 1109 B 29 SER HA B 30 PRO HGy 1.0 1.8 5.0 1421 1110 B 29 SER HA B 31 GLU H 1.0 1.8 5.0 1422 1111 B 31 GLU H B 29 SER HBy 1.0 1.8 5.0 1423 1112 B 31 GLU H B 29 SER HBx 1.0 1.8 5.0 1424 1113 B 29 SER HBx B 30 PRO HDx 1.0 1.8 5.0 1425 1113 B 29 SER HBy B 30 PRO HDx 1.0 1.8 5.0 1426 1113 B 30 PRO HDy B 29 SER HBx 1.0 1.8 5.0 1427 1113 B 30 PRO HDy B 29 SER HBy 1.0 1.8 5.0 1428 1114 B 32 LEU H B 29 SER HBx 1.0 1.8 5.0 1429 1114 B 32 LEU H B 29 SER HBy 1.0 1.8 5.0 1430 1115 B 29 SER H B 32 LEU HBy 1.0 1.8 5.0 1431 1116 B 32 LEU HBx B 29 SER H 1.0 1.8 5.0 1432 1117 B 32 LEU HD11 B 29 SER H 1.0 1.8 5.0 1433 1118 B 32 LEU HD21 B 29 SER H 1.0 1.8 5.0 1434 1119 B 32 LEU H B 29 SER H 1.0 1.8 5.0 1435 1120 B 30 PRO HA B 33 THR HB 1.0 1.8 5.0 1436 1121 B 30 PRO HA B 33 THR HG21 1.0 1.8 5.0 1437 1122 B 30 PRO HA B 33 THR H 1.0 1.8 5.0 1438 1123 B 30 PRO HA B 34 LEU H 1.0 1.8 5.0 1439 1124 B 33 THR HG21 B 30 PRO HBx 1.0 1.8 5.0 1440 1124 B 33 THR HG21 B 30 PRO HBy 1.0 1.8 5.0 1441 1125 B 33 THR H B 31 GLU HA 1.0 1.8 5.0 1442 1126 B 31 GLU HA B 34 LEU HBy 1.0 1.8 5.0 1443 1127 B 34 LEU HBx B 31 GLU HA 1.0 1.8 5.0 1444 1128 B 34 LEU HD11 B 31 GLU HA 1.0 1.8 5.0 1445 1129 B 34 LEU H B 31 GLU HA 1.0 1.8 5.0 1446 1130 B 31 GLU HA B 35 MET H 1.0 1.8 5.0 1447 1131 B 31 GLU HBx B 34 LEU HBy 1.0 1.8 5.0 1448 1131 B 31 GLU HBy B 34 LEU HBy 1.0 1.8 5.0 1449 1131 B 34 LEU HBx B 31 GLU HBx 1.0 1.8 5.0 1450 1131 B 34 LEU HBx B 31 GLU HBy 1.0 1.8 5.0 1451 1132 B 31 GLU H B 32 LEU HBy 1.0 1.8 5.0 1452 1132 B 32 LEU HBx B 31 GLU H 1.0 1.8 5.0 1453 1133 B 32 LEU H B 31 GLU H 1.0 1.8 3.5 1454 1134 B 33 THR H B 31 GLU H 1.0 1.8 5.0 1455 1135 B 35 MET HBy B 32 LEU HA 1.0 1.8 5.0 1456 1136 B 32 LEU HA B 35 MET HBx 1.0 1.8 5.0 1457 1137 B 35 MET HE1 B 32 LEU HA 1.0 1.8 5.0 1458 1138 B 32 LEU HA B 35 MET HGx 1.0 1.8 5.0 1459 1138 B 35 MET HGy B 32 LEU HA 1.0 1.8 5.0 1460 1139 B 35 MET H B 32 LEU HA 1.0 1.8 5.0 1461 1140 B 35 MET HE1 B 32 LEU HD11 1.0 1.8 5.0 1462 1141 B 32 LEU HD11 B 36 ILE HD11 1.0 1.8 5.0 1463 1142 B 32 LEU HD11 B 36 ILE HG21 1.0 1.8 5.0 1464 1143 B 32 LEU HD11 B 36 ILE H 1.0 1.8 5.0 1465 1144 B 35 MET HE1 B 32 LEU HD21 1.0 1.8 5.0 1466 1145 B 32 LEU HD21 B 36 ILE HD11 1.0 1.8 5.0 1467 1146 B 36 ILE HD11 B 32 LEU HG 1.0 1.8 5.0 1468 1147 B 32 LEU H B 33 THR H 1.0 1.8 3.5 1469 1148 B 33 THR HA B 36 ILE H 1.0 1.8 5.0 1470 1149 B 33 THR HA B 37 ALA H 1.0 1.8 5.0 1471 1150 B 36 ILE HD11 B 33 THR HA 1.0 1.8 5.0 1472 1151 B 33 THR HG21 B 34 LEU HA 1.0 1.8 5.0 1473 1152 B 33 THR HG21 B 34 LEU HG 1.0 1.8 5.0 1474 1153 B 33 THR HG21 B 37 ALA H 1.0 1.8 5.0 1475 1154 B 33 THR H B 34 LEU H 1.0 1.8 3.5 1476 1155 B 37 ALA HB1 B 34 LEU HA 1.0 1.8 5.0 1477 1156 B 37 ALA H B 34 LEU HA 1.0 1.8 5.0 1478 1157 B 38 GLY H B 34 LEU HA 1.0 1.8 5.0 1479 1158 B 34 LEU HD11 B 37 ALA HB1 1.0 1.8 5.0 1480 1159 B 34 LEU HD21 B 37 ALA HB1 1.0 1.8 5.0 1481 1160 B 34 LEU HD21 B 38 GLY H 1.0 1.8 5.0 1482 1161 B 34 LEU H B 35 MET HBx 1.0 1.8 5.0 1483 1161 B 35 MET HBy B 34 LEU H 1.0 1.8 5.0 1484 1162 B 34 LEU H B 35 MET H 1.0 1.8 3.5 1485 1163 B 34 LEU H B 36 ILE H 1.0 1.8 5.0 1486 1164 B 34 LEU H B 37 ALA H 1.0 1.8 5.0 1487 1165 B 35 MET HA B 37 ALA H 1.0 1.8 5.0 1488 1166 B 35 MET HA B 38 GLY H 1.0 1.8 5.0 1489 1167 B 35 MET HE1 B 36 ILE HD11 1.0 1.8 5.0 1490 1168 B 35 MET H B 36 ILE HG1y 1.0 1.8 5.0 1491 1168 B 35 MET H B 36 ILE HG1x 1.0 1.8 5.0 1492 1169 B 35 MET H B 36 ILE H 1.0 1.8 3.5 1493 1170 B 35 MET H B 37 ALA H 1.0 1.8 5.0 1494 1171 B 39 ASN HBy B 36 ILE HA 1.0 1.8 5.0 1495 1172 B 36 ILE HA B 39 ASN HBx 1.0 1.8 5.0 1496 1173 B 39 ASN H B 36 ILE HA 1.0 1.8 5.0 1497 1174 B 36 ILE HA B 40 ILE H 1.0 1.8 5.0 1498 1175 B 37 ALA HA B 36 ILE HG21 1.0 1.8 5.0 1499 1176 B 39 ASN HBy B 36 ILE HG21 1.0 1.8 5.0 1500 1176 B 36 ILE HG21 B 39 ASN HBx 1.0 1.8 5.0 1501 1177 B 39 ASN H B 36 ILE HG21 1.0 1.8 5.0 1502 1178 B 40 ILE HD11 B 36 ILE HG21 1.0 1.8 5.0 1503 1179 B 40 ILE HG1y B 36 ILE HG21 1.0 1.8 5.0 1504 1179 B 36 ILE HG21 B 40 ILE HG1x 1.0 1.8 5.0 1505 1180 B 40 ILE HG21 B 36 ILE HG1x 1.0 1.8 5.0 1506 1180 B 40 ILE HG21 B 36 ILE HG21 1.0 1.8 5.0 1507 1180 B 40 ILE HG21 B 36 ILE HG1y 1.0 1.8 5.0 1508 1181 B 36 ILE H B 37 ALA H 1.0 1.8 3.5 1509 1182 B 38 GLY H B 36 ILE H 1.0 1.8 5.0 1510 1183 B 40 ILE HB B 37 ALA HA 1.0 1.8 5.0 1511 1184 B 40 ILE HD11 B 37 ALA HA 1.0 1.8 5.0 1512 1185 B 40 ILE HG21 B 37 ALA HA 1.0 1.8 5.0 1513 1186 B 40 ILE H B 37 ALA HA 1.0 1.8 5.0 1514 1187 B 41 ALA H B 37 ALA HA 1.0 1.8 5.0 1515 1188 B 37 ALA HB1 B 39 ASN H 1.0 1.8 5.0 1516 1189 B 40 ILE HD11 B 37 ALA HB1 1.0 1.8 5.0 1517 1190 B 40 ILE HG21 B 37 ALA HB1 1.0 1.8 5.0 1518 1191 B 41 ALA HB1 B 38 GLY HAy 1.0 1.8 5.0 1519 1191 B 41 ALA HB1 B 38 GLY HAx 1.0 1.8 5.0 1520 1192 B 38 GLY H B 39 ASN HBx 1.0 1.8 5.0 1521 1192 B 39 ASN HBy B 38 GLY H 1.0 1.8 5.0 1522 1193 B 38 GLY H B 39 ASN H 1.0 1.8 3.5 1523 1194 B 41 ALA HB1 B 38 GLY H 1.0 1.8 5.0 1524 1195 B 39 ASN HA B 42 THR HB 1.0 1.8 5.0 1525 1196 B 39 ASN HA B 42 THR HG21 1.0 1.8 5.0 1526 1197 B 39 ASN HA B 42 THR H 1.0 1.8 5.0 1527 1198 B 41 ALA H B 39 ASN HBx 1.0 1.8 5.0 1528 1198 B 39 ASN HBy B 41 ALA H 1.0 1.8 5.0 1529 1199 B 41 ALA H B 39 ASN H 1.0 1.8 5.0 1530 1200 B 40 ILE HA B 43 ASN HBy 1.0 1.8 5.0 1531 1201 B 40 ILE HA B 43 ASN HBx 1.0 1.8 5.0 1532 1202 B 40 ILE HA B 43 ASN H 1.0 1.8 5.0 1533 1203 B 40 ILE HA B 44 VAL H 1.0 1.8 5.0 1534 1204 B 40 ILE HD11 B 44 VAL HG21 1.0 1.8 5.0 1535 1205 B 40 ILE HG21 B 41 ALA HA 1.0 1.8 5.0 1536 1206 B 40 ILE HG21 B 44 VAL HB 1.0 1.8 5.0 1537 1207 B 40 ILE HG21 B 44 VAL HG11 1.0 1.8 5.0 1538 1208 B 40 ILE HG21 B 44 VAL HG21 1.0 1.8 5.0 1539 1209 B 40 ILE HG21 B 44 VAL H 1.0 1.8 5.0 1540 1210 B 41 ALA H B 40 ILE H 1.0 1.8 3.5 1541 1211 B 40 ILE H B 42 THR H 1.0 1.8 5.0 1542 1212 B 44 VAL HB B 41 ALA HA 1.0 1.8 5.0 1543 1213 B 44 VAL HG11 B 41 ALA HA 1.0 1.8 5.0 1544 1214 B 44 VAL HG21 B 41 ALA HA 1.0 1.8 5.0 1545 1215 B 41 ALA HA B 44 VAL H 1.0 1.8 5.0 1546 1216 B 41 ALA HA B 45 LEU H 1.0 1.8 5.0 1547 1217 B 41 ALA HB1 B 42 THR HA 1.0 1.8 5.0 1548 1218 B 41 ALA HB1 B 42 THR HG21 1.0 1.8 5.0 1549 1219 B 41 ALA HB1 B 43 ASN H 1.0 1.8 5.0 1550 1220 B 44 VAL HB B 41 ALA HB1 1.0 1.8 5.0 1551 1221 B 44 VAL HG11 B 41 ALA HB1 1.0 1.8 5.0 1552 1222 B 61 PHE HE% B 41 ALA HB1 1.0 1.8 5.0 1553 1223 B 41 ALA HB1 B 61 PHE HZ 1.0 1.8 5.0 1554 1224 B 41 ALA H B 42 THR H 1.0 1.8 3.5 1555 1225 B 41 ALA H B 43 ASN H 1.0 1.8 5.0 1556 1226 B 45 LEU H B 42 THR HA 1.0 1.8 5.0 1557 1227 B 42 THR HA B 46 ASN H 1.0 1.8 5.0 1558 1228 B 42 THR H B 43 ASN HBx 1.0 1.8 5.0 1559 1228 B 42 THR H B 43 ASN HBy 1.0 1.8 5.0 1560 1229 B 42 THR H B 43 ASN H 1.0 1.8 3.5 1561 1230 B 42 THR H B 44 VAL H 1.0 1.8 5.0 1562 1231 B 43 ASN HA B 46 ASN HBy 1.0 1.8 5.0 1563 1232 B 43 ASN HA B 46 ASN HBx 1.0 1.8 5.0 1564 1233 B 46 ASN HD2x B 43 ASN HA 1.0 1.8 5.0 1565 1234 B 46 ASN HD2y B 43 ASN HA 1.0 1.8 5.0 1566 1235 B 46 ASN H B 43 ASN HA 1.0 1.8 5.0 1567 1236 B 43 ASN HA B 47 GLN HE2x 1.0 1.8 5.0 1568 1236 B 43 ASN HA B 47 GLN HE2y 1.0 1.8 5.0 1569 1237 B 43 ASN HA B 47 GLN H 1.0 1.8 5.0 1570 1238 B 44 VAL HG21 B 43 ASN HBx 1.0 1.8 5.0 1571 1238 B 44 VAL HG21 B 43 ASN HBy 1.0 1.8 5.0 1572 1239 B 43 ASN HBy B 47 GLN HE2x 1.0 1.8 5.0 1573 1239 B 43 ASN HBx B 47 GLN HE2x 1.0 1.8 5.0 1574 1239 B 47 GLN HE2y B 43 ASN HBx 1.0 1.8 5.0 1575 1239 B 43 ASN HBy B 47 GLN HE2y 1.0 1.8 5.0 1576 1240 B 43 ASN H B 44 VAL H 1.0 1.8 3.5 1577 1241 B 44 VAL HA B 47 GLN HBx 1.0 1.8 5.0 1578 1241 B 44 VAL HA B 47 GLN HBy 1.0 1.8 5.0 1579 1242 B 47 GLN H B 44 VAL HA 1.0 1.8 5.0 1580 1243 B 44 VAL HA B 48 ARG HDx 1.0 1.8 5.0 1581 1243 B 44 VAL HA B 48 ARG HDy 1.0 1.8 5.0 1582 1244 B 44 VAL HA B 48 ARG HGx 1.0 1.8 5.0 1583 1244 B 44 VAL HA B 48 ARG HGy 1.0 1.8 5.0 1584 1245 B 44 VAL HA B 48 ARG H 1.0 1.8 5.0 1585 1246 B 44 VAL HG11 B 48 ARG HBx 1.0 1.8 5.0 1586 1246 B 44 VAL HG11 B 48 ARG HBy 1.0 1.8 5.0 1587 1247 B 44 VAL HG11 B 48 ARG HDx 1.0 1.8 5.0 1588 1247 B 44 VAL HG11 B 48 ARG HDy 1.0 1.8 5.0 1589 1248 B 44 VAL HG11 B 48 ARG H 1.0 1.8 5.0 1590 1249 B 44 VAL HG11 B 49 VAL HG21 1.0 1.8 5.0 1591 1250 B 44 VAL HG11 B 49 VAL H 1.0 1.8 5.0 1592 1251 B 45 LEU HA B 49 VAL HB 1.0 1.8 5.0 1593 1252 B 45 LEU HA B 49 VAL HG11 1.0 1.8 5.0 1594 1253 B 49 VAL H B 45 LEU HA 1.0 1.8 5.0 1595 1254 B 46 ASN HD2x B 45 LEU HBx 1.0 1.8 5.0 1596 1254 B 46 ASN HD2y B 45 LEU HBy 1.0 1.8 5.0 1597 1254 B 46 ASN HD2x B 45 LEU HBy 1.0 1.8 5.0 1598 1254 B 46 ASN HD2y B 45 LEU HBx 1.0 1.8 5.0 1599 1255 B 49 VAL HG21 B 45 LEU HBx 1.0 1.8 5.0 1600 1255 B 49 VAL HG21 B 45 LEU HBy 1.0 1.8 5.0 1601 1256 B 57 ILE HG21 B 45 LEU HD11 1.0 1.8 5.0 1602 1257 B 45 LEU HD11 B 58 ALA HA 1.0 1.8 5.0 1603 1258 B 45 LEU HD11 B 58 ALA HB1 1.0 1.8 5.0 1604 1259 B 45 LEU HD11 B 58 ALA H 1.0 1.8 5.0 1605 1260 B 49 VAL HB B 45 LEU HD21 1.0 1.8 5.0 1606 1261 B 49 VAL HG21 B 45 LEU HD21 1.0 1.8 5.0 1607 1262 B 57 ILE HG21 B 45 LEU HD21 1.0 1.8 5.0 1608 1263 B 58 ALA H B 45 LEU HD21 1.0 1.8 5.0 1609 1264 B 46 ASN H B 47 GLN HGx 1.0 1.8 5.0 1610 1264 B 46 ASN H B 47 GLN HGy 1.0 1.8 5.0 1611 1265 B 49 VAL H B 47 GLN HA 1.0 1.8 5.0 1612 1266 B 47 GLN H B 48 ARG HGx 1.0 1.8 5.0 1613 1266 B 47 GLN H B 48 ARG HGy 1.0 1.8 5.0 1614 1267 B 47 GLN H B 49 VAL HG11 1.0 1.8 5.0 1615 1268 B 47 GLN H B 49 VAL H 1.0 1.8 5.0 1616 1269 B 48 ARG H B 49 VAL HB 1.0 1.8 5.0 1617 1270 B 49 VAL HA B 50 ALA HB1 1.0 1.8 5.0 1618 1271 B 57 ILE HD11 B 49 VAL HA 1.0 1.8 7.0 1619 1272 B 57 ILE HD11 B 49 VAL HB 1.0 1.8 7.0 1620 1273 B 49 VAL HG11 B 50 ALA HA 1.0 1.8 5.0 1621 1274 B 49 VAL HG11 B 50 ALA HB1 1.0 1.8 5.0 1622 1275 B 49 VAL HG11 B 53 GLN HBy 1.0 1.8 5.0 1623 1275 B 49 VAL HG11 B 53 GLN HBx 1.0 1.8 5.0 1624 1276 B 49 VAL HG11 B 53 GLN HGx 1.0 1.8 5.0 1625 1276 B 49 VAL HG11 B 53 GLN HGy 1.0 1.8 5.0 1626 1277 B 49 VAL HG11 B 53 GLN H 1.0 1.8 5.0 1627 1278 B 49 VAL HG11 B 54 ARG HA 1.0 1.8 5.0 1628 1279 B 49 VAL HG11 B 54 ARG HGx 1.0 1.8 5.0 1629 1279 B 49 VAL HG11 B 54 ARG HGy 1.0 1.8 5.0 1630 1280 B 49 VAL HG11 B 54 ARG H 1.0 1.8 5.0 1631 1281 B 49 VAL HG11 B 57 ILE HA 1.0 1.8 7.0 1632 1282 B 49 VAL HG11 B 57 ILE HB 1.0 1.8 7.4 1633 1283 B 57 ILE HD11 B 49 VAL HG11 1.0 1.8 7.0 1634 1284 B 57 ILE HG21 B 49 VAL HG11 1.0 1.8 7.0 1635 1285 B 49 VAL HG21 B 54 ARG H 1.0 1.8 5.0 1636 1286 B 49 VAL HG21 B 57 ILE HA 1.0 1.8 7.0 1637 1287 B 49 VAL HG21 B 57 ILE HB 1.0 1.8 7.4 1638 1288 B 57 ILE HD11 B 49 VAL HG21 1.0 1.8 7.0 1639 1289 B 57 ILE HG21 B 49 VAL HG21 1.0 1.8 7.0 1640 1290 B 49 VAL H B 54 ARG HH1% 1.0 1.8 5.0 1641 1290 B 49 VAL H B 54 ARG HH2% 1.0 1.8 5.0 1642 1291 B 50 ALA HA B 51 ALA HA 1.0 1.8 5.0 1643 1292 B 50 ALA HA B 51 ALA H 1.0 1.8 2.9 1644 1293 B 50 ALA HA B 53 GLN HBy 1.0 1.8 5.0 1645 1294 B 50 ALA HA B 53 GLN HBx 1.0 1.8 5.0 1646 1295 B 50 ALA HB1 B 53 GLN H 1.0 1.8 5.0 1647 1296 B 50 ALA HB1 B 54 ARG H 1.0 1.8 5.0 1648 1297 B 50 ALA H B 53 GLN HBy 1.0 1.8 5.0 1649 1297 B 53 GLN HBx B 50 ALA H 1.0 1.8 5.0 1650 1298 B 53 GLN H B 50 ALA H 1.0 1.8 5.0 1651 1299 B 57 ILE HD11 B 50 ALA H 1.0 1.8 5.0 1652 1300 B 57 ILE HG21 B 50 ALA H 1.0 1.8 5.0 1653 1301 B 53 GLN H B 51 ALA HA 1.0 1.8 5.0 1654 1302 B 51 ALA HA B 54 ARG HBy 1.0 1.8 5.0 1655 1303 B 51 ALA HA B 54 ARG HBx 1.0 1.8 5.0 1656 1304 B 51 ALA HA B 54 ARG HDx 1.0 1.8 5.0 1657 1304 B 51 ALA HA B 54 ARG HDy 1.0 1.8 5.0 1658 1305 B 51 ALA HA B 54 ARG HE 1.0 1.8 5.0 1659 1306 B 51 ALA HA B 54 ARG HGx 1.0 1.8 5.0 1660 1306 B 54 ARG HGy B 51 ALA HA 1.0 1.8 5.0 1661 1307 B 51 ALA HA B 54 ARG HH1% 1.0 1.8 5.0 1662 1308 B 51 ALA HA B 54 ARG HH2% 1.0 1.8 5.0 1663 1309 B 54 ARG H B 51 ALA HA 1.0 1.8 5.0 1664 1310 B 51 ALA HB1 B 52 SER HA 1.0 1.8 5.0 1665 1311 B 51 ALA HB1 B 54 ARG HH1% 1.0 1.8 5.0 1666 1312 B 51 ALA HB1 B 54 ARG HH2% 1.0 1.8 5.0 1667 1313 B 51 ALA H B 53 GLN HBy 1.0 1.8 5.0 1668 1313 B 53 GLN HBx B 51 ALA H 1.0 1.8 5.0 1669 1314 B 53 GLN H B 51 ALA H 1.0 1.8 5.0 1670 1315 B 51 ALA H B 54 ARG HE 1.0 1.8 5.0 1671 1316 B 51 ALA H B 54 ARG HH1% 1.0 1.8 5.0 1672 1317 B 51 ALA H B 54 ARG HH2% 1.0 1.8 5.0 1673 1318 B 54 ARG H B 52 SER HA 1.0 1.8 5.0 1674 1319 B 52 SER HBx B 53 GLN HE2x 1.0 1.8 5.0 1675 1319 B 53 GLN HE2y B 52 SER HBx 1.0 1.8 5.0 1676 1319 B 52 SER HBy B 53 GLN HE2y 1.0 1.8 5.0 1677 1319 B 52 SER HBy B 53 GLN HE2x 1.0 1.8 5.0 1678 1320 B 54 ARG H B 52 SER HBx 1.0 1.8 5.0 1679 1320 B 54 ARG H B 52 SER HBy 1.0 1.8 5.0 1680 1321 B 52 SER H B 53 GLN HBy 1.0 1.8 5.0 1681 1321 B 53 GLN HBx B 52 SER H 1.0 1.8 5.0 1682 1322 B 53 GLN H B 52 SER H 1.0 1.8 3.5 1683 1323 B 54 ARG H B 52 SER H 1.0 1.8 5.0 1684 1324 B 53 GLN HA B 55 LYS H 1.0 1.8 5.0 1685 1325 B 53 GLN HA B 56 LEU HD11 1.0 1.8 5.0 1686 1326 B 53 GLN HA B 56 LEU H 1.0 1.8 5.0 1687 1327 B 53 GLN HA B 57 ILE H 1.0 1.8 5.0 1688 1328 B 57 ILE HD11 B 53 GLN HBy 1.0 1.8 5.0 1689 1329 B 57 ILE HD11 B 53 GLN HBx 1.0 1.8 5.0 1690 1330 B 57 ILE H B 53 GLN HBy 1.0 1.8 5.0 1691 1330 B 53 GLN HBx B 57 ILE H 1.0 1.8 5.0 1692 1331 B 56 LEU HD11 B 53 GLN HE2x 1.0 1.8 5.0 1693 1331 B 53 GLN HE2y B 56 LEU HD11 1.0 1.8 5.0 1694 1332 B 57 ILE HD11 B 53 GLN HE2x 1.0 1.8 5.0 1695 1332 B 57 ILE HD11 B 53 GLN HE2y 1.0 1.8 5.0 1696 1333 B 56 LEU HD11 B 53 GLN HGx 1.0 1.8 5.0 1697 1333 B 53 GLN HGy B 56 LEU HD11 1.0 1.8 5.0 1698 1334 B 57 ILE HD11 B 53 GLN HGx 1.0 1.8 5.0 1699 1334 B 57 ILE HD11 B 53 GLN HGy 1.0 1.8 5.0 1700 1335 B 57 ILE H B 53 GLN HGx 1.0 1.8 5.0 1701 1335 B 53 GLN HGy B 57 ILE H 1.0 1.8 5.0 1702 1336 B 53 GLN H B 54 ARG HA 1.0 1.8 5.0 1703 1337 B 53 GLN H B 54 ARG H 1.0 1.8 3.5 1704 1338 B 54 ARG HA B 57 ILE HB 1.0 1.8 5.0 1705 1339 B 57 ILE HD11 B 54 ARG HA 1.0 1.8 5.0 1706 1340 B 57 ILE HG21 B 54 ARG HA 1.0 1.8 5.0 1707 1341 B 54 ARG HA B 57 ILE H 1.0 1.8 5.0 1708 1342 B 58 ALA H B 54 ARG HA 1.0 1.8 5.0 1709 1343 B 57 ILE HG21 B 54 ARG HBx 1.0 1.8 5.0 1710 1343 B 57 ILE HG21 B 54 ARG HBy 1.0 1.8 5.0 1711 1344 B 54 ARG H B 55 LYS H 1.0 1.8 3.5 1712 1345 B 54 ARG H B 56 LEU H 1.0 1.8 5.0 1713 1346 B 58 ALA HB1 B 55 LYS HA 1.0 1.8 5.0 1714 1347 B 58 ALA H B 55 LYS HA 1.0 1.8 5.0 1715 1348 B 58 ALA HB1 B 55 LYS HBx 1.0 1.8 5.0 1716 1348 B 58 ALA HB1 B 55 LYS HBy 1.0 1.8 5.0 1717 1349 B 58 ALA HB1 B 55 LYS HEx 1.0 1.8 5.0 1718 1349 B 58 ALA HB1 B 55 LYS HEy 1.0 1.8 5.0 1719 1350 B 55 LYS H B 56 LEU H 1.0 1.8 3.5 1720 1351 B 58 ALA H B 56 LEU HA 1.0 1.8 5.0 1721 1352 B 56 LEU HA B 59 GLU HBx 1.0 1.8 5.0 1722 1352 B 56 LEU HA B 59 GLU HBy 1.0 1.8 5.0 1723 1353 B 56 LEU HA B 59 GLU HGx 1.0 1.8 5.0 1724 1353 B 56 LEU HA B 59 GLU HGy 1.0 1.8 5.0 1725 1354 B 56 LEU HA B 59 GLU H 1.0 1.8 5.0 1726 1355 B 56 LEU HA B 60 LYS H 1.0 1.8 5.0 1727 1356 B 56 LEU HD11 B 60 LYS HDx 1.0 1.8 5.0 1728 1356 B 56 LEU HD11 B 60 LYS HDy 1.0 1.8 5.0 1729 1357 B 56 LEU HD21 B 59 GLU HGx 1.0 1.8 5.0 1730 1357 B 59 GLU HGy B 56 LEU HD21 1.0 1.8 5.0 1731 1358 B 56 LEU HD21 B 60 LYS HDx 1.0 1.8 5.0 1732 1358 B 60 LYS HDy B 56 LEU HD21 1.0 1.8 5.0 1733 1359 B 60 LYS H B 56 LEU HD21 1.0 1.8 5.0 1734 1360 B 56 LEU H B 57 ILE H 1.0 1.8 3.5 1735 1361 B 58 ALA H B 56 LEU H 1.0 1.8 5.0 1736 1362 B 57 ILE HA B 59 GLU H 1.0 1.8 5.0 1737 1363 B 57 ILE HA B 60 LYS HBy 1.0 1.8 5.0 1738 1364 B 57 ILE HA B 60 LYS HBx 1.0 1.8 5.0 1739 1365 B 57 ILE HA B 60 LYS H 1.0 1.8 5.0 1740 1366 B 57 ILE HA B 61 PHE H 1.0 1.8 5.0 1741 1367 B 57 ILE HD11 B 60 LYS HBy 1.0 1.8 5.0 1742 1367 B 57 ILE HD11 B 60 LYS HBx 1.0 1.8 5.0 1743 1368 B 57 ILE HD11 B 60 LYS HDx 1.0 1.8 5.0 1744 1368 B 57 ILE HD11 B 60 LYS HDy 1.0 1.8 5.0 1745 1369 B 57 ILE HD11 B 60 LYS HEx 1.0 1.8 5.0 1746 1369 B 57 ILE HD11 B 60 LYS HEy 1.0 1.8 5.0 1747 1370 B 57 ILE HG21 B 58 ALA HA 1.0 1.8 5.0 1748 1371 B 57 ILE HG21 B 58 ALA HB1 1.0 1.8 5.0 1749 1372 B 57 ILE HG21 B 60 LYS HBy 1.0 1.8 5.0 1750 1372 B 57 ILE HG21 B 60 LYS HBx 1.0 1.8 5.0 1751 1373 B 58 ALA H B 57 ILE H 1.0 1.8 3.5 1752 1374 B 57 ILE H B 59 GLU H 1.0 1.8 5.0 1753 1375 B 58 ALA HA B 61 PHE HBy 1.0 1.8 5.0 1754 1376 B 61 PHE HBx B 58 ALA HA 1.0 1.8 5.0 1755 1377 B 61 PHE HD% B 58 ALA HA 1.0 1.8 5.0 1756 1378 B 58 ALA HA B 61 PHE H 1.0 1.8 5.0 1757 1379 B 62 ALA H B 58 ALA HA 1.0 1.8 5.0 1758 1380 B 58 ALA HB1 B 59 GLU HA 1.0 1.8 5.0 1759 1381 B 58 ALA HB1 B 59 GLU HBx 1.0 1.8 5.0 1760 1381 B 58 ALA HB1 B 59 GLU HBy 1.0 1.8 5.0 1761 1382 B 58 ALA HB1 B 60 LYS H 1.0 1.8 5.0 1762 1383 B 58 ALA H B 59 GLU HBx 1.0 1.8 5.0 1763 1383 B 58 ALA H B 59 GLU HBy 1.0 1.8 5.0 1764 1384 B 58 ALA H B 59 GLU H 1.0 1.8 3.5 1765 1385 B 58 ALA H B 60 LYS H 1.0 1.8 5.0 1766 1386 B 59 GLU HA B 62 ALA HB1 1.0 1.8 5.0 1767 1387 B 62 ALA H B 59 GLU HA 1.0 1.8 5.0 1768 1388 B 59 GLU HA B 63 GLN H 1.0 1.8 5.0 1769 1389 B 62 ALA HB1 B 59 GLU HGx 1.0 1.8 5.0 1770 1389 B 59 GLU HGy B 62 ALA HB1 1.0 1.8 5.0 1771 1390 B 60 LYS HA B 63 GLN HBx 1.0 1.8 5.0 1772 1390 B 60 LYS HA B 63 GLN HBy 1.0 1.8 5.0 1773 1391 B 60 LYS HA B 63 GLN HGx 1.0 1.8 5.0 1774 1391 B 60 LYS HA B 63 GLN HGy 1.0 1.8 5.0 1775 1392 B 63 GLN H B 60 LYS HA 1.0 1.8 5.0 1776 1393 B 60 LYS HA B 64 ALA H 1.0 1.8 5.0 1777 1394 B 60 LYS H B 61 PHE HBy 1.0 1.8 5.0 1778 1394 B 61 PHE HBx B 60 LYS H 1.0 1.8 5.0 1779 1395 B 60 LYS H B 61 PHE H 1.0 1.8 3.5 1780 1396 B 60 LYS H B 62 ALA HB1 1.0 1.8 5.0 1781 1397 B 62 ALA H B 60 LYS H 1.0 1.8 5.0 1782 1398 B 61 PHE HA B 64 ALA HB1 1.0 1.8 5.0 1783 1399 B 61 PHE HA B 64 ALA H 1.0 1.8 5.0 1784 1400 B 61 PHE HA B 65 LEU H 1.0 1.8 5.0 1785 1401 B 63 GLN H B 61 PHE HBy 1.0 1.8 5.0 1786 1401 B 61 PHE HBx B 63 GLN H 1.0 1.8 5.0 1787 1402 B 61 PHE HD% B 62 ALA HB1 1.0 1.8 5.0 1788 1403 B 61 PHE HD% B 64 ALA HB1 1.0 1.8 5.0 1789 1404 B 61 PHE HD% B 65 LEU HD11 1.0 1.8 5.0 1790 1405 B 61 PHE HD% B 65 LEU HD21 1.0 1.8 5.0 1791 1406 B 61 PHE HE% B 62 ALA HB1 1.0 1.8 5.0 1792 1407 B 61 PHE HE% B 65 LEU HD11 1.0 1.8 5.0 1793 1408 B 61 PHE HE% B 65 LEU HD21 1.0 1.8 5.0 1794 1409 B 61 PHE H B 62 ALA HB1 1.0 1.8 5.0 1795 1410 B 62 ALA H B 61 PHE H 1.0 1.8 3.5 1796 1411 B 62 ALA HA B 65 LEU HBy 1.0 1.8 5.0 1797 1412 B 62 ALA HA B 65 LEU HBx 1.0 1.8 5.0 1798 1413 B 65 LEU HD11 B 62 ALA HA 1.0 1.8 5.0 1799 1414 B 65 LEU H B 62 ALA HA 1.0 1.8 5.0 1800 1415 B 62 ALA HA B 66 MET H 1.0 1.8 5.0 1801 1416 B 62 ALA HB1 B 63 GLN HBx 1.0 1.8 5.0 1802 1416 B 62 ALA HB1 B 63 GLN HBy 1.0 1.8 5.0 1803 1417 B 62 ALA HB1 B 64 ALA H 1.0 1.8 5.0 1804 1418 B 62 ALA HB1 B 65 LEU HBy 1.0 1.8 5.0 1805 1418 B 62 ALA HB1 B 65 LEU HBx 1.0 1.8 5.0 1806 1419 B 65 LEU HD21 B 62 ALA HB1 1.0 1.8 5.0 1807 1420 B 66 MET HE1 B 62 ALA HB1 1.0 1.8 5.0 1808 1421 B 62 ALA HB1 B 66 MET HGx 1.0 1.8 5.0 1809 1421 B 62 ALA HB1 B 66 MET HGy 1.0 1.8 5.0 1810 1422 B 62 ALA H B 63 GLN HBx 1.0 1.8 5.0 1811 1422 B 62 ALA H B 63 GLN HBy 1.0 1.8 5.0 1812 1423 B 62 ALA H B 63 GLN H 1.0 1.8 3.5 1813 1424 B 62 ALA H B 64 ALA H 1.0 1.8 5.0 1814 1425 B 62 ALA H B 65 LEU HBy 1.0 1.8 5.0 1815 1425 B 62 ALA H B 65 LEU HBx 1.0 1.8 5.0 1816 1426 B 65 LEU H B 63 GLN HA 1.0 1.8 5.0 1817 1427 B 66 MET HE1 B 63 GLN HA 1.0 1.8 5.0 1818 1428 B 63 GLN HA B 66 MET HGx 1.0 1.8 5.0 1819 1428 B 66 MET HGy B 63 GLN HA 1.0 1.8 5.0 1820 1429 B 66 MET H B 63 GLN HA 1.0 1.8 5.0 1821 1430 B 63 GLN HA B 67 SER H 1.0 1.8 5.0 1822 1431 B 64 ALA HA B 63 GLN HBx 1.0 1.8 5.0 1823 1431 B 63 GLN HBy B 64 ALA HA 1.0 1.8 5.0 1824 1432 B 64 ALA HB1 B 63 GLN HBx 1.0 1.8 5.0 1825 1432 B 63 GLN HBy B 64 ALA HB1 1.0 1.8 5.0 1826 1433 B 63 GLN HBy B 67 SER HBx 1.0 1.8 5.0 1827 1433 B 63 GLN HBx B 67 SER HBx 1.0 1.8 5.0 1828 1433 B 67 SER HBy B 63 GLN HBx 1.0 1.8 5.0 1829 1433 B 63 GLN HBy B 67 SER HBy 1.0 1.8 5.0 1830 1434 B 63 GLN H B 64 ALA HB1 1.0 1.8 5.0 1831 1435 B 63 GLN H B 64 ALA H 1.0 1.8 3.5 1832 1436 B 63 GLN H B 65 LEU H 1.0 1.8 5.0 1833 1437 B 64 ALA HA B 67 SER HBx 1.0 1.8 5.0 1834 1437 B 64 ALA HA B 67 SER HBy 1.0 1.8 5.0 1835 1438 B 64 ALA HB1 B 65 LEU HBy 1.0 1.8 5.0 1836 1438 B 64 ALA HB1 B 65 LEU HBx 1.0 1.8 5.0 1837 1439 B 64 ALA HB1 B 67 SER HBx 1.0 1.8 5.0 1838 1439 B 64 ALA HB1 B 67 SER HBy 1.0 1.8 5.0 1839 1440 B 64 ALA HB1 B 67 SER H 1.0 1.8 5.0 1840 1441 B 64 ALA H B 65 LEU HBy 1.0 1.8 5.0 1841 1441 B 64 ALA H B 65 LEU HBx 1.0 1.8 5.0 1842 1442 B 64 ALA H B 65 LEU H 1.0 1.8 3.5 1843 1443 B 65 LEU HA B 68 SER HBx 1.0 1.8 5.0 1844 1443 B 65 LEU HA B 68 SER HBy 1.0 1.8 5.0 1845 1444 B 68 SER H B 65 LEU HBy 1.0 1.8 5.0 1846 1444 B 65 LEU HBx B 68 SER H 1.0 1.8 5.0 1847 1445 B 65 LEU HD11 B 66 MET HE1 1.0 1.8 5.0 1848 1446 B 65 LEU HD21 B 66 MET HE1 1.0 1.8 5.0 1849 1447 B 65 LEU H B 66 MET H 1.0 1.8 3.5 1850 1448 B 66 MET HA B 69 LEU HBx 1.0 1.8 5.0 1851 1448 B 66 MET HA B 69 LEU HBy 1.0 1.8 5.0 1852 1449 B 66 MET HA B 69 LEU HD11 1.0 1.8 5.0 1853 1450 B 66 MET HA B 69 LEU HD21 1.0 1.8 5.0 1854 1451 B 66 MET HA B 69 LEU HG 1.0 1.8 5.0 1855 1452 B 66 MET HA B 69 LEU H 1.0 1.8 5.0 1856 1453 B 68 SER H B 66 MET HBx 1.0 1.8 5.0 1857 1453 B 68 SER H B 66 MET HBy 1.0 1.8 5.0 1858 1454 B 66 MET HE1 B 69 LEU HD11 1.0 1.8 5.0 1859 1455 B 66 MET HE1 B 69 LEU HD21 1.0 1.8 5.0 1860 1456 B 66 MET H B 67 SER HBx 1.0 1.8 5.0 1861 1456 B 66 MET H B 67 SER HBy 1.0 1.8 5.0 1862 1457 B 66 MET H B 67 SER H 1.0 1.8 3.5 1863 1458 B 66 MET H B 68 SER H 1.0 1.8 5.0 1864 1459 B 66 MET H B 69 LEU HBx 1.0 1.8 5.0 1865 1459 B 66 MET H B 69 LEU HBy 1.0 1.8 5.0 1866 1460 B 69 LEU H B 67 SER HA 1.0 1.8 5.0 1867 1461 B 67 SER H B 68 SER HBx 1.0 1.8 5.0 1868 1461 B 68 SER HBy B 67 SER H 1.0 1.8 5.0 1869 1462 B 67 SER H B 68 SER H 1.0 1.8 3.5 1870 1463 B 67 SER H B 69 LEU HBx 1.0 1.8 5.0 1871 1463 B 67 SER H B 69 LEU HBy 1.0 1.8 5.0 1872 1464 B 67 SER H B 69 LEU H 1.0 1.8 5.0 1873 1465 B 68 SER H B 69 LEU HBx 1.0 1.8 5.0 1874 1465 B 68 SER H B 69 LEU HBy 1.0 1.8 5.0 1875 1466 B 68 SER H B 69 LEU H 1.0 1.8 3.5 1876 1467 B 69 LEU HD21 B 71 THR H 1.0 1.8 5.0 1877 1468 B 71 THR HA B 72 PRO HDy 1.0 1.8 4.0 1878 1469 B 72 PRO HDx B 71 THR HA 1.0 1.8 4.0 1879 1470 B 71 THR HA B 72 PRO HGx 1.0 1.8 5.0 1880 1470 B 72 PRO HGy B 71 THR HA 1.0 1.8 5.0 1881 1471 B 71 THR HB B 72 PRO HDy 1.0 1.8 5.0 1882 1471 B 72 PRO HDx B 71 THR HB 1.0 1.8 5.0 1883 1472 B 71 THR HG21 B 72 PRO HDy 1.0 1.8 5.0 1884 1472 B 72 PRO HDx B 71 THR HG21 1.0 1.8 5.0 1885 1473 B 71 THR H B 72 PRO HDy 1.0 1.8 5.0 1886 1473 B 72 PRO HDx B 71 THR H 1.0 1.8 5.0 1887 1474 B 72 PRO HA B 73 LYS HBx 1.0 1.8 5.0 1888 1474 B 72 PRO HA B 73 LYS HBy 1.0 1.8 5.0 1889 1475 B 72 PRO HA B 73 LYS HGx 1.0 1.8 5.0 1890 1475 B 72 PRO HA B 73 LYS HGy 1.0 1.8 5.0 1891 1476 B 72 PRO HDx B 73 LYS HGx 1.0 1.8 5.0 1892 1476 B 72 PRO HDy B 73 LYS HGx 1.0 1.8 5.0 1893 1476 B 73 LYS HGy B 72 PRO HDy 1.0 1.8 5.0 1894 1476 B 72 PRO HDx B 73 LYS HGy 1.0 1.8 5.0 1895 1477 B 73 LYS HA B 74 THR HG21 1.0 1.8 5.0 1896 1478 B 76 LEU HD11 B 76 LEU HG 1.0 1.8 5.0 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin 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 13 GLU H A 9 ASP O 1.0 1.7 2.3 2 2 A 9 ASP O A 13 GLU N 1.0 2.7 3.2 3 3 A 13 GLU H A 9 ASP C 1.0 2.8 3.3 4 4 A 14 LYS H A 10 GLU O 1.0 1.7 2.3 5 5 A 10 GLU O A 14 LYS N 1.0 2.7 3.2 6 6 A 14 LYS H A 10 GLU C 1.0 2.8 3.3 7 7 A 15 ILE H A 11 GLN O 1.0 1.7 2.3 8 8 A 11 GLN O A 15 ILE N 1.0 2.7 3.2 9 9 A 15 ILE H A 11 GLN C 1.0 2.8 3.3 10 10 A 16 LEU H A 12 VAL O 1.0 1.7 2.3 11 11 A 12 VAL O A 16 LEU N 1.0 2.7 3.2 12 12 A 16 LEU H A 12 VAL C 1.0 2.8 3.3 13 13 A 17 ALA H A 13 GLU O 1.0 1.7 2.3 14 14 A 13 GLU O A 17 ALA N 1.0 2.7 3.2 15 15 A 17 ALA H A 13 GLU C 1.0 2.8 3.3 16 16 A 18 GLU H A 14 LYS O 1.0 1.7 2.3 17 17 A 14 LYS O A 18 GLU N 1.0 2.7 3.2 18 18 A 18 GLU H A 14 LYS C 1.0 2.8 3.3 19 19 A 19 VAL H A 15 ILE O 1.0 1.7 2.3 20 20 A 15 ILE O A 19 VAL N 1.0 2.7 3.2 21 21 A 19 VAL H A 15 ILE C 1.0 2.8 3.3 22 22 A 20 ALA H A 16 LEU O 1.0 1.7 2.3 23 23 A 16 LEU O A 20 ALA N 1.0 2.7 3.2 24 24 A 20 ALA H A 16 LEU C 1.0 2.8 3.3 25 25 A 21 LEU H A 17 ALA O 1.0 1.7 2.3 26 26 A 17 ALA O A 21 LEU N 1.0 2.7 3.2 27 27 A 21 LEU H A 17 ALA C 1.0 2.8 3.3 28 28 A 24 GLU H A 20 ALA O 1.0 1.7 2.3 29 29 A 20 ALA O A 24 GLU N 1.0 2.7 3.2 30 30 A 24 GLU H A 20 ALA C 1.0 2.8 3.3 31 31 A 35 MET H A 31 GLU O 1.0 1.7 2.3 32 32 A 31 GLU O A 35 MET N 1.0 2.7 3.2 33 33 A 35 MET H A 31 GLU C 1.0 2.8 3.3 34 34 A 36 ILE H A 32 LEU O 1.0 1.7 2.3 35 35 A 32 LEU O A 36 ILE N 1.0 2.7 3.2 36 36 A 36 ILE H A 32 LEU C 1.0 2.8 3.3 37 37 A 37 ALA H A 33 THR O 1.0 1.7 2.3 38 38 A 33 THR O A 37 ALA N 1.0 2.7 3.2 39 39 A 37 ALA H A 33 THR C 1.0 2.8 3.3 40 40 A 38 GLY H A 34 LEU O 1.0 1.7 2.3 41 41 A 34 LEU O A 38 GLY N 1.0 2.7 3.2 42 42 A 38 GLY H A 34 LEU C 1.0 2.8 3.3 43 43 A 40 ILE H A 36 ILE O 1.0 1.7 2.3 44 44 A 36 ILE O A 40 ILE N 1.0 2.7 3.2 45 45 A 40 ILE H A 36 ILE C 1.0 2.8 3.3 46 46 A 41 ALA H A 37 ALA O 1.0 1.7 2.3 47 47 A 37 ALA O A 41 ALA N 1.0 2.7 3.2 48 48 A 41 ALA H A 37 ALA C 1.0 2.8 3.3 49 49 A 42 THR H A 38 GLY O 1.0 1.7 2.3 50 50 A 38 GLY O A 42 THR N 1.0 2.7 3.2 51 51 A 42 THR H A 38 GLY C 1.0 2.8 3.3 52 52 A 43 ASN H A 39 ASN O 1.0 1.7 2.3 53 53 A 39 ASN O A 43 ASN N 1.0 2.7 3.2 54 54 A 43 ASN H A 39 ASN C 1.0 2.8 3.3 55 55 A 44 VAL H A 40 ILE O 1.0 1.7 2.3 56 56 A 40 ILE O A 44 VAL N 1.0 2.7 3.2 57 57 A 44 VAL H A 40 ILE C 1.0 2.8 3.3 58 58 A 45 LEU H A 41 ALA O 1.0 1.7 2.3 59 59 A 41 ALA O A 45 LEU N 1.0 2.7 3.2 60 60 A 45 LEU H A 41 ALA C 1.0 2.8 3.3 61 61 A 46 ASN H A 42 THR O 1.0 1.7 2.3 62 62 A 42 THR O A 46 ASN N 1.0 2.7 3.2 63 63 A 46 ASN H A 42 THR C 1.0 2.8 3.3 64 64 A 47 GLN H A 43 ASN O 1.0 1.7 2.3 65 65 A 43 ASN O A 47 GLN N 1.0 2.7 3.2 66 66 A 47 GLN H A 43 ASN C 1.0 2.8 3.3 67 67 A 57 ILE H A 53 GLN O 1.0 1.7 2.3 68 68 A 53 GLN O A 57 ILE N 1.0 2.7 3.2 69 69 A 57 ILE H A 53 GLN C 1.0 2.8 3.3 70 70 A 58 ALA H A 54 ARG O 1.0 1.7 2.3 71 71 A 54 ARG O A 58 ALA N 1.0 2.7 3.2 72 72 A 58 ALA H A 54 ARG C 1.0 2.8 3.3 73 73 A 59 GLU H A 55 LYS O 1.0 1.7 2.3 74 74 A 55 LYS O A 59 GLU N 1.0 2.7 3.2 75 75 A 59 GLU H A 55 LYS C 1.0 2.8 3.3 76 76 A 60 LYS H A 56 LEU O 1.0 1.7 2.3 77 77 A 56 LEU O A 60 LYS N 1.0 2.7 3.2 78 78 A 60 LYS H A 56 LEU C 1.0 2.8 3.3 79 79 A 61 PHE H A 57 ILE O 1.0 1.7 2.3 80 80 A 57 ILE O A 61 PHE N 1.0 2.7 3.2 81 81 A 61 PHE H A 57 ILE C 1.0 2.8 3.3 82 82 A 62 ALA H A 58 ALA O 1.0 1.7 2.3 83 83 A 58 ALA O A 62 ALA N 1.0 2.7 3.2 84 84 A 62 ALA H A 58 ALA C 1.0 2.8 3.3 85 85 A 63 GLN H A 59 GLU O 1.0 1.7 2.3 86 86 A 59 GLU O A 63 GLN N 1.0 2.7 3.2 87 87 A 63 GLN H A 59 GLU C 1.0 2.8 3.3 88 88 A 64 ALA H A 60 LYS O 1.0 1.7 2.3 89 89 A 60 LYS O A 64 ALA N 1.0 2.7 3.2 90 90 A 64 ALA H A 60 LYS C 1.0 2.8 3.3 91 91 A 65 LEU H A 61 PHE O 1.0 1.7 2.3 92 92 A 61 PHE O A 65 LEU N 1.0 2.7 3.2 93 93 A 65 LEU H A 61 PHE C 1.0 2.8 3.3 94 94 A 66 MET H A 62 ALA O 1.0 1.7 2.3 95 95 A 62 ALA O A 66 MET N 1.0 2.7 3.2 96 96 A 66 MET H A 62 ALA C 1.0 2.8 3.3 97 97 A 67 SER H A 63 GLN O 1.0 1.7 2.3 98 98 A 63 GLN O A 67 SER N 1.0 2.7 3.2 99 99 A 67 SER H A 63 GLN C 1.0 2.8 3.3 100 100 A 68 SER H A 64 ALA O 1.0 1.7 2.3 101 101 A 64 ALA O A 68 SER N 1.0 2.7 3.2 102 102 A 68 SER H A 64 ALA C 1.0 2.8 3.3 103 103 B 13 GLU H B 9 ASP O 1.0 1.7 2.3 104 104 B 9 ASP O B 13 GLU N 1.0 2.7 3.2 105 105 B 13 GLU H B 9 ASP C 1.0 2.8 3.3 106 106 B 14 LYS H B 10 GLU O 1.0 1.7 2.3 107 107 B 10 GLU O B 14 LYS N 1.0 2.7 3.2 108 108 B 14 LYS H B 10 GLU C 1.0 2.8 3.3 109 109 B 15 ILE H B 11 GLN O 1.0 1.7 2.3 110 110 B 11 GLN O B 15 ILE N 1.0 2.7 3.2 111 111 B 15 ILE H B 11 GLN C 1.0 2.8 3.3 112 112 B 16 LEU H B 12 VAL O 1.0 1.7 2.3 113 113 B 12 VAL O B 16 LEU N 1.0 2.7 3.2 114 114 B 16 LEU H B 12 VAL C 1.0 2.8 3.3 115 115 B 17 ALA H B 13 GLU O 1.0 1.7 2.3 116 116 B 13 GLU O B 17 ALA N 1.0 2.7 3.2 117 117 B 17 ALA H B 13 GLU C 1.0 2.8 3.3 118 118 B 18 GLU H B 14 LYS O 1.0 1.7 2.3 119 119 B 14 LYS O B 18 GLU N 1.0 2.7 3.2 120 120 B 18 GLU H B 14 LYS C 1.0 2.8 3.3 121 121 B 19 VAL H B 15 ILE O 1.0 1.7 2.3 122 122 B 15 ILE O B 19 VAL N 1.0 2.7 3.2 123 123 B 19 VAL H B 15 ILE C 1.0 2.8 3.3 124 124 B 20 ALA H B 16 LEU O 1.0 1.7 2.3 125 125 B 16 LEU O B 20 ALA N 1.0 2.7 3.2 126 126 B 20 ALA H B 16 LEU C 1.0 2.8 3.3 127 127 B 21 LEU H B 17 ALA O 1.0 1.7 2.3 128 128 B 17 ALA O B 21 LEU N 1.0 2.7 3.2 129 129 B 21 LEU H B 17 ALA C 1.0 2.8 3.3 130 130 B 24 GLU H B 20 ALA O 1.0 1.7 2.3 131 131 B 20 ALA O B 24 GLU N 1.0 2.7 3.2 132 132 B 24 GLU H B 20 ALA C 1.0 2.8 3.3 133 133 B 35 MET H B 31 GLU O 1.0 1.7 2.3 134 134 B 31 GLU O B 35 MET N 1.0 2.7 3.2 135 135 B 35 MET H B 31 GLU C 1.0 2.8 3.3 136 136 B 36 ILE H B 32 LEU O 1.0 1.7 2.3 137 137 B 32 LEU O B 36 ILE N 1.0 2.7 3.2 138 138 B 36 ILE H B 32 LEU C 1.0 2.8 3.3 139 139 B 37 ALA H B 33 THR O 1.0 1.7 2.3 140 140 B 33 THR O B 37 ALA N 1.0 2.7 3.2 141 141 B 37 ALA H B 33 THR C 1.0 2.8 3.3 142 142 B 38 GLY H B 34 LEU O 1.0 1.7 2.3 143 143 B 34 LEU O B 38 GLY N 1.0 2.7 3.2 144 144 B 38 GLY H B 34 LEU C 1.0 2.8 3.3 145 145 B 40 ILE H B 36 ILE O 1.0 1.7 2.3 146 146 B 36 ILE O B 40 ILE N 1.0 2.7 3.2 147 147 B 40 ILE H B 36 ILE C 1.0 2.8 3.3 148 148 B 41 ALA H B 37 ALA O 1.0 1.7 2.3 149 149 B 37 ALA O B 41 ALA N 1.0 2.7 3.2 150 150 B 41 ALA H B 37 ALA C 1.0 2.8 3.3 151 151 B 42 THR H B 38 GLY O 1.0 1.7 2.3 152 152 B 38 GLY O B 42 THR N 1.0 2.7 3.2 153 153 B 42 THR H B 38 GLY C 1.0 2.8 3.3 154 154 B 43 ASN H B 39 ASN O 1.0 1.7 2.3 155 155 B 39 ASN O B 43 ASN N 1.0 2.7 3.2 156 156 B 43 ASN H B 39 ASN C 1.0 2.8 3.3 157 157 B 44 VAL H B 40 ILE O 1.0 1.7 2.3 158 158 B 40 ILE O B 44 VAL N 1.0 2.7 3.2 159 159 B 44 VAL H B 40 ILE C 1.0 2.8 3.3 160 160 B 45 LEU H B 41 ALA O 1.0 1.7 2.3 161 161 B 41 ALA O B 45 LEU N 1.0 2.7 3.2 162 162 B 45 LEU H B 41 ALA C 1.0 2.8 3.3 163 163 B 46 ASN H B 42 THR O 1.0 1.7 2.3 164 164 B 42 THR O B 46 ASN N 1.0 2.7 3.2 165 165 B 46 ASN H B 42 THR C 1.0 2.8 3.3 166 166 B 47 GLN H B 43 ASN O 1.0 1.7 2.3 167 167 B 43 ASN O B 47 GLN N 1.0 2.7 3.2 168 168 B 47 GLN H B 43 ASN C 1.0 2.8 3.3 169 169 B 57 ILE H B 53 GLN O 1.0 1.7 2.3 170 170 B 53 GLN O B 57 ILE N 1.0 2.7 3.2 171 171 B 57 ILE H B 53 GLN C 1.0 2.8 3.3 172 172 B 58 ALA H B 54 ARG O 1.0 1.7 2.3 173 173 B 54 ARG O B 58 ALA N 1.0 2.7 3.2 174 174 B 58 ALA H B 54 ARG C 1.0 2.8 3.3 175 175 B 59 GLU H B 55 LYS O 1.0 1.7 2.3 176 176 B 55 LYS O B 59 GLU N 1.0 2.7 3.2 177 177 B 59 GLU H B 55 LYS C 1.0 2.8 3.3 178 178 B 60 LYS H B 56 LEU O 1.0 1.7 2.3 179 179 B 56 LEU O B 60 LYS N 1.0 2.7 3.2 180 180 B 60 LYS H B 56 LEU C 1.0 2.8 3.3 181 181 B 61 PHE H B 57 ILE O 1.0 1.7 2.3 182 182 B 57 ILE O B 61 PHE N 1.0 2.7 3.2 183 183 B 61 PHE H B 57 ILE C 1.0 2.8 3.3 184 184 B 62 ALA H B 58 ALA O 1.0 1.7 2.3 185 185 B 58 ALA O B 62 ALA N 1.0 2.7 3.2 186 186 B 62 ALA H B 58 ALA C 1.0 2.8 3.3 187 187 B 63 GLN H B 59 GLU O 1.0 1.7 2.3 188 188 B 59 GLU O B 63 GLN N 1.0 2.7 3.2 189 189 B 63 GLN H B 59 GLU C 1.0 2.8 3.3 190 190 B 64 ALA H B 60 LYS O 1.0 1.7 2.3 191 191 B 60 LYS O B 64 ALA N 1.0 2.7 3.2 192 192 B 64 ALA H B 60 LYS C 1.0 2.8 3.3 193 193 B 65 LEU H B 61 PHE O 1.0 1.7 2.3 194 194 B 61 PHE O B 65 LEU N 1.0 2.7 3.2 195 195 B 65 LEU H B 61 PHE C 1.0 2.8 3.3 196 196 B 66 MET H B 62 ALA O 1.0 1.7 2.3 197 197 B 62 ALA O B 66 MET N 1.0 2.7 3.2 198 198 B 66 MET H B 62 ALA C 1.0 2.8 3.3 199 199 B 67 SER H B 63 GLN O 1.0 1.7 2.3 200 200 B 63 GLN O B 67 SER N 1.0 2.7 3.2 201 201 B 67 SER H B 63 GLN C 1.0 2.8 3.3 202 202 B 68 SER H B 64 ALA O 1.0 1.7 2.3 203 203 B 64 ALA O B 68 SER N 1.0 2.7 3.2 204 204 B 68 SER H B 64 ALA C 1.0 2.8 3.3 stop_ save_ save_CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode CNS/XPLOR_dihedral_4 _nef_dihedral_restraint_list.potential_type square-well-parabolic _nef_dihedral_restraint_list.restraint_origin . loop_ _nef_dihedral_restraint.index _nef_dihedral_restraint.restraint_id _nef_dihedral_restraint.chain_code_1 _nef_dihedral_restraint.sequence_code_1 _nef_dihedral_restraint.residue_name_1 _nef_dihedral_restraint.atom_name_1 _nef_dihedral_restraint.chain_code_2 _nef_dihedral_restraint.sequence_code_2 _nef_dihedral_restraint.residue_name_2 _nef_dihedral_restraint.atom_name_2 _nef_dihedral_restraint.chain_code_3 _nef_dihedral_restraint.sequence_code_3 _nef_dihedral_restraint.residue_name_3 _nef_dihedral_restraint.atom_name_3 _nef_dihedral_restraint.chain_code_4 _nef_dihedral_restraint.sequence_code_4 _nef_dihedral_restraint.residue_name_4 _nef_dihedral_restraint.atom_name_4 _nef_dihedral_restraint.weight _nef_dihedral_restraint.lower_limit _nef_dihedral_restraint.upper_limit _nef_dihedral_restraint.name 1 1 A 8 THR C A 9 ASP N A 9 ASP CA A 9 ASP C 1.0 -89.69 -29.69 PHI 2 2 A 9 ASP N A 9 ASP CA A 9 ASP C A 10 GLU N 1.0 -77.44 2.56 PSI 3 3 A 9 ASP C A 10 GLU N A 10 GLU CA A 10 GLU C 1.0 -98.67 -38.67 PHI 4 4 A 10 GLU N A 10 GLU CA A 10 GLU C A 11 GLN N 1.0 -79.38 0.62 PSI 5 5 A 10 GLU C A 11 GLN N A 11 GLN CA A 11 GLN C 1.0 -95.37 -35.37 PHI 6 6 A 11 GLN N A 11 GLN CA A 11 GLN C A 12 VAL N 1.0 -81.18 -1.18 PSI 7 7 A 11 GLN C A 12 VAL N A 12 VAL CA A 12 VAL C 1.0 -94.97 -34.97 PHI 8 8 A 12 VAL N A 12 VAL CA A 12 VAL C A 13 GLU N 1.0 -86.08 -6.08 PSI 9 9 A 12 VAL C A 13 GLU N A 13 GLU CA A 13 GLU C 1.0 -91.16 -31.16 PHI 10 10 A 13 GLU N A 13 GLU CA A 13 GLU C A 14 LYS N 1.0 -80.93 -0.93 PSI 11 11 A 13 GLU C A 14 LYS N A 14 LYS CA A 14 LYS C 1.0 -95.89 -35.89 PHI 12 12 A 14 LYS N A 14 LYS CA A 14 LYS C A 15 ILE N 1.0 -79.71 0.29 PSI 13 13 A 14 LYS C A 15 ILE N A 15 ILE CA A 15 ILE C 1.0 -95.82 -35.82 PHI 14 14 A 15 ILE N A 15 ILE CA A 15 ILE C A 16 LEU N 1.0 -84.97 -4.97 PSI 15 15 A 15 ILE C A 16 LEU N A 16 LEU CA A 16 LEU C 1.0 -88.05 -28.05 PHI 16 16 A 16 LEU N A 16 LEU CA A 16 LEU C A 17 ALA N 1.0 -82.85 -2.85 PSI 17 17 A 16 LEU C A 17 ALA N A 17 ALA CA A 17 ALA C 1.0 -92.23 -32.23 PHI 18 18 A 17 ALA N A 17 ALA CA A 17 ALA C A 18 GLU N 1.0 -82.50 -2.50 PSI 19 19 A 17 ALA C A 18 GLU N A 18 GLU CA A 18 GLU C 1.0 -96.07 -36.07 PHI 20 20 A 18 GLU N A 18 GLU CA A 18 GLU C A 19 VAL N 1.0 -77.01 2.99 PSI 21 21 A 18 GLU C A 19 VAL N A 19 VAL CA A 19 VAL C 1.0 -95.61 -35.61 PHI 22 22 A 19 VAL N A 19 VAL CA A 19 VAL C A 20 ALA N 1.0 -83.29 -3.29 PSI 23 23 A 19 VAL C A 20 ALA N A 20 ALA CA A 20 ALA C 1.0 -89.57 -29.57 PHI 24 24 A 20 ALA N A 20 ALA CA A 20 ALA C A 21 LEU N 1.0 -80.70 -0.70 PSI 25 25 A 20 ALA C A 21 LEU N A 21 LEU CA A 21 LEU C 1.0 -93.93 -33.93 PHI 26 26 A 21 LEU N A 21 LEU CA A 21 LEU C A 22 VAL N 1.0 -81.06 -1.06 PSI 27 27 A 21 LEU C A 22 VAL N A 22 VAL CA A 22 VAL C 1.0 -93.99 -33.99 PHI 28 28 A 22 VAL N A 22 VAL CA A 22 VAL C A 23 LEU N 1.0 -83.36 -3.36 PSI 29 29 A 22 VAL C A 23 LEU N A 23 LEU CA A 23 LEU C 1.0 -88.68 -28.68 PHI 30 30 A 23 LEU N A 23 LEU CA A 23 LEU C A 24 GLU N 1.0 -81.36 -1.36 PSI 31 31 A 23 LEU C A 24 GLU N A 24 GLU CA A 24 GLU C 1.0 -93.12 -33.12 PHI 32 32 A 24 GLU N A 24 GLU CA A 24 GLU C A 25 LYS N 1.0 -78.64 1.36 PSI 33 33 A 24 GLU C A 25 LYS N A 25 LYS CA A 25 LYS C 1.0 -97.50 -37.50 PHI 34 34 A 25 LYS N A 25 LYS CA A 25 LYS C A 26 HIS N 1.0 -69.10 10.90 PSI 35 35 A 29 SER C A 30 PRO N A 30 PRO CA A 30 PRO C 1.0 -89.21 -29.21 PHI 36 36 A 30 PRO N A 30 PRO CA A 30 PRO C A 31 GLU N 1.0 -74.42 5.58 PSI 37 37 A 30 PRO C A 31 GLU N A 31 GLU CA A 31 GLU C 1.0 -93.06 -33.06 PHI 38 38 A 31 GLU N A 31 GLU CA A 31 GLU C A 32 LEU N 1.0 -82.35 -2.35 PSI 39 39 A 31 GLU C A 32 LEU N A 32 LEU CA A 32 LEU C 1.0 -97.71 -37.71 PHI 40 40 A 32 LEU N A 32 LEU CA A 32 LEU C A 33 THR N 1.0 -79.44 0.56 PSI 41 41 A 32 LEU C A 33 THR N A 33 THR CA A 33 THR C 1.0 -94.55 -34.55 PHI 42 42 A 33 THR N A 33 THR CA A 33 THR C A 34 LEU N 1.0 -83.78 -3.78 PSI 43 43 A 33 THR C A 34 LEU N A 34 LEU CA A 34 LEU C 1.0 -91.50 -31.50 PHI 44 44 A 34 LEU N A 34 LEU CA A 34 LEU C A 35 MET N 1.0 -79.56 0.44 PSI 45 45 A 34 LEU C A 35 MET N A 35 MET CA A 35 MET C 1.0 -94.73 -34.73 PHI 46 46 A 35 MET N A 35 MET CA A 35 MET C A 36 ILE N 1.0 -80.10 -0.10 PSI 47 47 A 35 MET C A 36 ILE N A 36 ILE CA A 36 ILE C 1.0 -98.72 -38.72 PHI 48 48 A 36 ILE N A 36 ILE CA A 36 ILE C A 37 ALA N 1.0 -84.39 -4.39 PSI 49 49 A 36 ILE C A 37 ALA N A 37 ALA CA A 37 ALA C 1.0 -96.97 -36.97 PHI 50 50 A 37 ALA N A 37 ALA CA A 37 ALA C A 38 GLY N 1.0 -75.92 4.08 PSI 51 51 A 38 GLY C A 39 ASN N A 39 ASN CA A 39 ASN C 1.0 -92.41 -32.41 PHI 52 52 A 39 ASN N A 39 ASN CA A 39 ASN C A 40 ILE N 1.0 -81.74 -1.74 PSI 53 53 A 39 ASN C A 40 ILE N A 40 ILE CA A 40 ILE C 1.0 -92.26 -32.26 PHI 54 54 A 40 ILE N A 40 ILE CA A 40 ILE C A 41 ALA N 1.0 -84.86 -4.86 PSI 55 55 A 40 ILE C A 41 ALA N A 41 ALA CA A 41 ALA C 1.0 -96.71 -36.71 PHI 56 56 A 41 ALA N A 41 ALA CA A 41 ALA C A 42 THR N 1.0 -75.79 4.21 PSI 57 57 A 41 ALA C A 42 THR N A 42 THR CA A 42 THR C 1.0 -96.03 -36.03 PHI 58 58 A 42 THR N A 42 THR CA A 42 THR C A 43 ASN N 1.0 -81.80 -1.80 PSI 59 59 A 42 THR C A 43 ASN N A 43 ASN CA A 43 ASN C 1.0 -93.47 -33.47 PHI 60 60 A 43 ASN N A 43 ASN CA A 43 ASN C A 44 VAL N 1.0 -76.94 3.06 PSI 61 61 A 43 ASN C A 44 VAL N A 44 VAL CA A 44 VAL C 1.0 -97.41 -37.41 PHI 62 62 A 44 VAL N A 44 VAL CA A 44 VAL C A 45 LEU N 1.0 -84.88 -4.88 PSI 63 63 A 44 VAL C A 45 LEU N A 45 LEU CA A 45 LEU C 1.0 -91.21 -31.21 PHI 64 64 A 45 LEU N A 45 LEU CA A 45 LEU C A 46 ASN N 1.0 -82.42 -2.42 PSI 65 65 A 45 LEU C A 46 ASN N A 46 ASN CA A 46 ASN C 1.0 -99.62 -39.62 PHI 66 66 A 46 ASN N A 46 ASN CA A 46 ASN C A 47 GLN N 1.0 -73.57 6.43 PSI 67 67 A 50 ALA C A 51 ALA N A 51 ALA CA A 51 ALA C 1.0 -92.50 -32.50 PHI 68 68 A 51 ALA N A 51 ALA CA A 51 ALA C A 52 SER N 1.0 -72.93 7.07 PSI 69 69 A 51 ALA C A 52 SER N A 52 SER CA A 52 SER C 1.0 -98.27 -38.27 PHI 70 70 A 52 SER N A 52 SER CA A 52 SER C A 53 GLN N 1.0 -72.33 7.67 PSI 71 71 A 52 SER C A 53 GLN N A 53 GLN CA A 53 GLN C 1.0 -125.35 -65.35 PHI 72 72 A 53 GLN N A 53 GLN CA A 53 GLN C A 54 ARG N 1.0 -41.25 38.75 PSI 73 73 A 53 GLN C A 54 ARG N A 54 ARG CA A 54 ARG C 1.0 -89.06 -29.06 PHI 74 74 A 54 ARG N A 54 ARG CA A 54 ARG C A 55 LYS N 1.0 -80.69 -0.69 PSI 75 75 A 54 ARG C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -89.68 -29.68 PHI 76 76 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 LEU N 1.0 -86.77 -6.77 PSI 77 77 A 55 LYS C A 56 LEU N A 56 LEU CA A 56 LEU C 1.0 -95.84 -35.84 PHI 78 78 A 56 LEU N A 56 LEU CA A 56 LEU C A 57 ILE N 1.0 -80.79 -0.79 PSI 79 79 A 56 LEU C A 57 ILE N A 57 ILE CA A 57 ILE C 1.0 -94.03 -34.03 PHI 80 80 A 57 ILE N A 57 ILE CA A 57 ILE C A 58 ALA N 1.0 -78.69 1.31 PSI 81 81 A 57 ILE C A 58 ALA N A 58 ALA CA A 58 ALA C 1.0 -93.10 -33.10 PHI 82 82 A 58 ALA N A 58 ALA CA A 58 ALA C A 59 GLU N 1.0 -78.66 1.34 PSI 83 83 A 58 ALA C A 59 GLU N A 59 GLU CA A 59 GLU C 1.0 -94.83 -34.83 PHI 84 84 A 59 GLU N A 59 GLU CA A 59 GLU C A 60 LYS N 1.0 -76.86 3.14 PSI 85 85 A 59 GLU C A 60 LYS N A 60 LYS CA A 60 LYS C 1.0 -96.00 -36.00 PHI 86 86 A 60 LYS N A 60 LYS CA A 60 LYS C A 61 PHE N 1.0 -79.78 0.22 PSI 87 87 A 60 LYS C A 61 PHE N A 61 PHE CA A 61 PHE C 1.0 -97.55 -37.55 PHI 88 88 A 61 PHE N A 61 PHE CA A 61 PHE C A 62 ALA N 1.0 -79.13 0.87 PSI 89 89 A 61 PHE C A 62 ALA N A 62 ALA CA A 62 ALA C 1.0 -91.13 -31.13 PHI 90 90 A 62 ALA N A 62 ALA CA A 62 ALA C A 63 GLN N 1.0 -82.70 -2.70 PSI 91 91 A 62 ALA C A 63 GLN N A 63 GLN CA A 63 GLN C 1.0 -94.29 -34.29 PHI 92 92 A 63 GLN N A 63 GLN CA A 63 GLN C A 64 ALA N 1.0 -81.42 -1.42 PSI 93 93 A 63 GLN C A 64 ALA N A 64 ALA CA A 64 ALA C 1.0 -94.43 -34.43 PHI 94 94 A 64 ALA N A 64 ALA CA A 64 ALA C A 65 LEU N 1.0 -78.90 1.10 PSI 95 95 A 64 ALA C A 65 LEU N A 65 LEU CA A 65 LEU C 1.0 -95.00 -35.00 PHI 96 96 A 65 LEU N A 65 LEU CA A 65 LEU C A 66 MET N 1.0 -80.31 -0.31 PSI 97 97 A 65 LEU C A 66 MET N A 66 MET CA A 66 MET C 1.0 -94.94 -34.94 PHI 98 98 A 66 MET N A 66 MET CA A 66 MET C A 67 SER N 1.0 -76.93 3.07 PSI 99 99 A 66 MET C A 67 SER N A 67 SER CA A 67 SER C 1.0 -95.33 -35.33 PHI 100 100 A 67 SER N A 67 SER CA A 67 SER C A 68 SER N 1.0 -74.87 5.13 PSI 101 101 B 8 THR C B 9 ASP N B 9 ASP CA B 9 ASP C 1.0 -89.69 -29.69 PHI 102 102 B 9 ASP N B 9 ASP CA B 9 ASP C B 10 GLU N 1.0 -77.44 2.56 PSI 103 103 B 9 ASP C B 10 GLU N B 10 GLU CA B 10 GLU C 1.0 -98.67 -38.67 PHI 104 104 B 10 GLU N B 10 GLU CA B 10 GLU C B 11 GLN N 1.0 -79.38 0.62 PSI 105 105 B 10 GLU C B 11 GLN N B 11 GLN CA B 11 GLN C 1.0 -95.37 -35.37 PHI 106 106 B 11 GLN N B 11 GLN CA B 11 GLN C B 12 VAL N 1.0 -81.18 -1.18 PSI 107 107 B 11 GLN C B 12 VAL N B 12 VAL CA B 12 VAL C 1.0 -94.97 -34.97 PHI 108 108 B 12 VAL N B 12 VAL CA B 12 VAL C B 13 GLU N 1.0 -86.08 -6.08 PSI 109 109 B 12 VAL C B 13 GLU N B 13 GLU CA B 13 GLU C 1.0 -91.16 -31.16 PHI 110 110 B 13 GLU N B 13 GLU CA B 13 GLU C B 14 LYS N 1.0 -80.93 -0.93 PSI 111 111 B 13 GLU C B 14 LYS N B 14 LYS CA B 14 LYS C 1.0 -95.89 -35.89 PHI 112 112 B 14 LYS N B 14 LYS CA B 14 LYS C B 15 ILE N 1.0 -79.71 0.29 PSI 113 113 B 14 LYS C B 15 ILE N B 15 ILE CA B 15 ILE C 1.0 -95.82 -35.82 PHI 114 114 B 15 ILE N B 15 ILE CA B 15 ILE C B 16 LEU N 1.0 -84.97 -4.97 PSI 115 115 B 15 ILE C B 16 LEU N B 16 LEU CA B 16 LEU C 1.0 -88.05 -28.05 PHI 116 116 B 16 LEU N B 16 LEU CA B 16 LEU C B 17 ALA N 1.0 -82.85 -2.85 PSI 117 117 B 16 LEU C B 17 ALA N B 17 ALA CA B 17 ALA C 1.0 -92.23 -32.23 PHI 118 118 B 17 ALA N B 17 ALA CA B 17 ALA C B 18 GLU N 1.0 -82.50 -2.50 PSI 119 119 B 17 ALA C B 18 GLU N B 18 GLU CA B 18 GLU C 1.0 -96.07 -36.07 PHI 120 120 B 18 GLU N B 18 GLU CA B 18 GLU C B 19 VAL N 1.0 -77.01 2.99 PSI 121 121 B 18 GLU C B 19 VAL N B 19 VAL CA B 19 VAL C 1.0 -95.61 -35.61 PHI 122 122 B 19 VAL N B 19 VAL CA B 19 VAL C B 20 ALA N 1.0 -83.29 -3.29 PSI 123 123 B 19 VAL C B 20 ALA N B 20 ALA CA B 20 ALA C 1.0 -89.57 -29.57 PHI 124 124 B 20 ALA N B 20 ALA CA B 20 ALA C B 21 LEU N 1.0 -80.70 -0.70 PSI 125 125 B 20 ALA C B 21 LEU N B 21 LEU CA B 21 LEU C 1.0 -93.93 -33.93 PHI 126 126 B 21 LEU N B 21 LEU CA B 21 LEU C B 22 VAL N 1.0 -81.06 -1.06 PSI 127 127 B 21 LEU C B 22 VAL N B 22 VAL CA B 22 VAL C 1.0 -93.99 -33.99 PHI 128 128 B 22 VAL N B 22 VAL CA B 22 VAL C B 23 LEU N 1.0 -83.36 -3.36 PSI 129 129 B 22 VAL C B 23 LEU N B 23 LEU CA B 23 LEU C 1.0 -88.68 -28.68 PHI 130 130 B 23 LEU N B 23 LEU CA B 23 LEU C B 24 GLU N 1.0 -81.36 -1.36 PSI 131 131 B 23 LEU C B 24 GLU N B 24 GLU CA B 24 GLU C 1.0 -93.12 -33.12 PHI 132 132 B 24 GLU N B 24 GLU CA B 24 GLU C B 25 LYS N 1.0 -78.64 1.36 PSI 133 133 B 24 GLU C B 25 LYS N B 25 LYS CA B 25 LYS C 1.0 -97.50 -37.50 PHI 134 134 B 25 LYS N B 25 LYS CA B 25 LYS C B 26 HIS N 1.0 -69.10 10.90 PSI 135 135 B 29 SER C B 30 PRO N B 30 PRO CA B 30 PRO C 1.0 -89.21 -29.21 PHI 136 136 B 30 PRO N B 30 PRO CA B 30 PRO C B 31 GLU N 1.0 -74.42 5.58 PSI 137 137 B 30 PRO C B 31 GLU N B 31 GLU CA B 31 GLU C 1.0 -93.06 -33.06 PHI 138 138 B 31 GLU N B 31 GLU CA B 31 GLU C B 32 LEU N 1.0 -82.35 -2.35 PSI 139 139 B 31 GLU C B 32 LEU N B 32 LEU CA B 32 LEU C 1.0 -97.71 -37.71 PHI 140 140 B 32 LEU N B 32 LEU CA B 32 LEU C B 33 THR N 1.0 -79.44 0.56 PSI 141 141 B 32 LEU C B 33 THR N B 33 THR CA B 33 THR C 1.0 -94.55 -34.55 PHI 142 142 B 33 THR N B 33 THR CA B 33 THR C B 34 LEU N 1.0 -83.78 -3.78 PSI 143 143 B 33 THR C B 34 LEU N B 34 LEU CA B 34 LEU C 1.0 -91.50 -31.50 PHI 144 144 B 34 LEU N B 34 LEU CA B 34 LEU C B 35 MET N 1.0 -79.56 0.44 PSI 145 145 B 34 LEU C B 35 MET N B 35 MET CA B 35 MET C 1.0 -94.73 -34.73 PHI 146 146 B 35 MET N B 35 MET CA B 35 MET C B 36 ILE N 1.0 -80.10 -0.10 PSI 147 147 B 35 MET C B 36 ILE N B 36 ILE CA B 36 ILE C 1.0 -98.72 -38.72 PHI 148 148 B 36 ILE N B 36 ILE CA B 36 ILE C B 37 ALA N 1.0 -84.39 -4.39 PSI 149 149 B 36 ILE C B 37 ALA N B 37 ALA CA B 37 ALA C 1.0 -96.97 -36.97 PHI 150 150 B 37 ALA N B 37 ALA CA B 37 ALA C B 38 GLY N 1.0 -75.92 4.08 PSI 151 151 B 38 GLY C B 39 ASN N B 39 ASN CA B 39 ASN C 1.0 -92.41 -32.41 PHI 152 152 B 39 ASN N B 39 ASN CA B 39 ASN C B 40 ILE N 1.0 -81.74 -1.74 PSI 153 153 B 39 ASN C B 40 ILE N B 40 ILE CA B 40 ILE C 1.0 -92.26 -32.26 PHI 154 154 B 40 ILE N B 40 ILE CA B 40 ILE C B 41 ALA N 1.0 -84.86 -4.86 PSI 155 155 B 40 ILE C B 41 ALA N B 41 ALA CA B 41 ALA C 1.0 -96.71 -36.71 PHI 156 156 B 41 ALA N B 41 ALA CA B 41 ALA C B 42 THR N 1.0 -75.79 4.21 PSI 157 157 B 41 ALA C B 42 THR N B 42 THR CA B 42 THR C 1.0 -96.03 -36.03 PHI 158 158 B 42 THR N B 42 THR CA B 42 THR C B 43 ASN N 1.0 -81.80 -1.80 PSI 159 159 B 42 THR C B 43 ASN N B 43 ASN CA B 43 ASN C 1.0 -93.47 -33.47 PHI 160 160 B 43 ASN N B 43 ASN CA B 43 ASN C B 44 VAL N 1.0 -76.94 3.06 PSI 161 161 B 43 ASN C B 44 VAL N B 44 VAL CA B 44 VAL C 1.0 -97.41 -37.41 PHI 162 162 B 44 VAL N B 44 VAL CA B 44 VAL C B 45 LEU N 1.0 -84.88 -4.88 PSI 163 163 B 44 VAL C B 45 LEU N B 45 LEU CA B 45 LEU C 1.0 -91.21 -31.21 PHI 164 164 B 45 LEU N B 45 LEU CA B 45 LEU C B 46 ASN N 1.0 -82.42 -2.42 PSI 165 165 B 45 LEU C B 46 ASN N B 46 ASN CA B 46 ASN C 1.0 -99.62 -39.62 PHI 166 166 B 46 ASN N B 46 ASN CA B 46 ASN C B 47 GLN N 1.0 -73.57 6.43 PSI 167 167 B 50 ALA C B 51 ALA N B 51 ALA CA B 51 ALA C 1.0 -92.50 -32.50 PHI 168 168 B 51 ALA N B 51 ALA CA B 51 ALA C B 52 SER N 1.0 -72.93 7.07 PSI 169 169 B 51 ALA C B 52 SER N B 52 SER CA B 52 SER C 1.0 -98.27 -38.27 PHI 170 170 B 52 SER N B 52 SER CA B 52 SER C B 53 GLN N 1.0 -72.33 7.67 PSI 171 171 B 52 SER C B 53 GLN N B 53 GLN CA B 53 GLN C 1.0 -125.35 -65.35 PHI 172 172 B 53 GLN N B 53 GLN CA B 53 GLN C B 54 ARG N 1.0 -41.25 38.75 PSI 173 173 B 53 GLN C B 54 ARG N B 54 ARG CA B 54 ARG C 1.0 -89.06 -29.06 PHI 174 174 B 54 ARG N B 54 ARG CA B 54 ARG C B 55 LYS N 1.0 -80.69 -0.69 PSI 175 175 B 54 ARG C B 55 LYS N B 55 LYS CA B 55 LYS C 1.0 -89.68 -29.68 PHI 176 176 B 55 LYS N B 55 LYS CA B 55 LYS C B 56 LEU N 1.0 -86.77 -6.77 PSI 177 177 B 55 LYS C B 56 LEU N B 56 LEU CA B 56 LEU C 1.0 -95.84 -35.84 PHI 178 178 B 56 LEU N B 56 LEU CA B 56 LEU C B 57 ILE N 1.0 -80.79 -0.79 PSI 179 179 B 56 LEU C B 57 ILE N B 57 ILE CA B 57 ILE C 1.0 -94.03 -34.03 PHI 180 180 B 57 ILE N B 57 ILE CA B 57 ILE C B 58 ALA N 1.0 -78.69 1.31 PSI 181 181 B 57 ILE C B 58 ALA N B 58 ALA CA B 58 ALA C 1.0 -93.10 -33.10 PHI 182 182 B 58 ALA N B 58 ALA CA B 58 ALA C B 59 GLU N 1.0 -78.66 1.34 PSI 183 183 B 58 ALA C B 59 GLU N B 59 GLU CA B 59 GLU C 1.0 -94.83 -34.83 PHI 184 184 B 59 GLU N B 59 GLU CA B 59 GLU C B 60 LYS N 1.0 -76.86 3.14 PSI 185 185 B 59 GLU C B 60 LYS N B 60 LYS CA B 60 LYS C 1.0 -96.00 -36.00 PHI 186 186 B 60 LYS N B 60 LYS CA B 60 LYS C B 61 PHE N 1.0 -79.78 0.22 PSI 187 187 B 60 LYS C B 61 PHE N B 61 PHE CA B 61 PHE C 1.0 -97.55 -37.55 PHI 188 188 B 61 PHE N B 61 PHE CA B 61 PHE C B 62 ALA N 1.0 -79.13 0.87 PSI 189 189 B 61 PHE C B 62 ALA N B 62 ALA CA B 62 ALA C 1.0 -91.13 -31.13 PHI 190 190 B 62 ALA N B 62 ALA CA B 62 ALA C B 63 GLN N 1.0 -82.70 -2.70 PSI 191 191 B 62 ALA C B 63 GLN N B 63 GLN CA B 63 GLN C 1.0 -94.29 -34.29 PHI 192 192 B 63 GLN N B 63 GLN CA B 63 GLN C B 64 ALA N 1.0 -81.42 -1.42 PSI 193 193 B 63 GLN C B 64 ALA N B 64 ALA CA B 64 ALA C 1.0 -94.43 -34.43 PHI 194 194 B 64 ALA N B 64 ALA CA B 64 ALA C B 65 LEU N 1.0 -78.90 1.10 PSI 195 195 B 64 ALA C B 65 LEU N B 65 LEU CA B 65 LEU C 1.0 -95.00 -35.00 PHI 196 196 B 65 LEU N B 65 LEU CA B 65 LEU C B 66 MET N 1.0 -80.31 -0.31 PSI 197 197 B 65 LEU C B 66 MET N B 66 MET CA B 66 MET C 1.0 -94.94 -34.94 PHI 198 198 B 66 MET N B 66 MET CA B 66 MET C B 67 SER N 1.0 -76.93 3.07 PSI 199 199 B 66 MET C B 67 SER N B 67 SER CA B 67 SER C 1.0 -95.33 -35.33 PHI 200 200 B 67 SER N B 67 SER CA B 67 SER C B 68 SER N 1.0 -74.87 5.13 PSI stop_ save_ save_spectral_peak_list_1 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_1 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 15N 2166.026 2 1H 7199.4 3 1H 13008.13 stop_ save_ save_spectral_peak_list_2 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_2 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 5653.71 2 1H 7199.4 3 1H 13008.13 stop_ save_ save_spectral_peak_list_3 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_3 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 5653.71 2 1H 7199.4 3 1H 13008.13 stop_ save_ save_spectral_peak_list_4 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_4 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3622.254 2 1H 6121.8 3 1H 11001.1 stop_ save_ save_spectral_peak_list_5 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_5 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3124.3 2 13C 3124.3 3 1H 8000 4 1H 4201.7 stop_ save_ save_spectral_peak_list_6 _nef_nmr_spectrum.sf_category nef_nmr_spectrum _nef_nmr_spectrum.sf_framecode spectral_peak_list_6 _nef_nmr_spectrum.num_dimensions . loop_ _nef_spectrum_dimension.dimension_id _nef_spectrum_dimension.axis_code _nef_spectrum_dimension.spectral_width 1 13C 3615.3 2 1H 6121.8 3 1H 10000 stop_ save_