data_nef_c17067_2l0y save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code PDB 2k3j PDB 2rn9 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 1 59 CYS SG 2 49 CYS SG 1 68 CYS SG 1 101 CYS SG 1 78 CYS SG 1 91 CYS SG stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A -48 GLY start . false 2 A -47 SER middle . . 3 A -46 PHE middle . . 4 A -45 THR middle . . 5 A -44 MET middle . . 6 A -43 SER middle . . 7 A -42 TYR middle . . 8 A -41 CYS middle . . 9 A -40 ARG middle . . 10 A -39 GLN middle . . 11 A -38 GLU middle . . 12 A -37 GLY middle . false 13 A -36 LYS middle . . 14 A -35 ASP middle . . 15 A -34 ARG middle . . 16 A -33 ILE middle . . 17 A -32 ILE middle . . 18 A -31 PHE middle . . 19 A -30 VAL middle . . 20 A -29 THR middle . . 21 A -28 LYS middle . . 22 A -27 GLU middle . . 23 A -26 ASP middle . . 24 A -25 HIS middle . . 25 A -24 GLU middle . . 26 A -23 THR middle . . 27 A -22 PRO middle . false 28 A -21 SER middle . . 29 A -20 SER middle . . 30 A -19 ALA middle . . 31 A -18 GLU middle . . 32 A -17 LEU middle . . 33 A -16 VAL middle . . 34 A -15 ALA middle . . 35 A -14 ASP middle . . 36 A -13 ASP middle . . 37 A -12 PRO middle . false 38 A -11 ASN middle . . 39 A -10 ASP middle . . 40 A -9 PRO middle . false 41 A -8 TYR middle . . 42 A -7 GLU middle . . 43 A -6 GLU middle . . 44 A -5 HIS middle . . 45 A -4 GLY middle . false 46 A -3 LEU middle . . 47 A -2 ILE middle . . 48 A -1 LEU middle . . 49 A 0 PRO middle . false 50 A 1 ASN middle . . 51 A 2 GLY middle . false 52 A 3 ASN middle . . 53 A 4 ILE middle . . 54 A 5 ASN middle . . 55 A 6 TRP middle . . 56 A 7 ASN middle . . 57 A 8 SER middle . . 58 A 9 PRO middle . false 59 A 10 CYS middle -HG . 60 A 11 LEU middle . . 61 A 12 GLY middle . false 62 A 13 GLY middle . false 63 A 14 MET middle . . 64 A 15 ALA middle . . 65 A 16 SER middle . . 66 A 17 GLY middle . false 67 A 18 PRO middle . false 68 A 19 CYS middle -HG . 69 A 20 GLY middle . false 70 A 21 GLU middle . . 71 A 22 GLN middle . . 72 A 23 PHE middle . . 73 A 24 LYS middle . . 74 A 25 SER middle . . 75 A 26 ALA middle . . 76 A 27 PHE middle . . 77 A 28 SER middle . . 78 A 29 CYS middle -HG . 79 A 30 PHE middle . . 80 A 31 HIS middle . . 81 A 32 TYR middle . . 82 A 33 SER middle . . 83 A 34 THR middle . . 84 A 35 GLU middle . . 85 A 36 GLU middle . . 86 A 37 ILE middle . . 87 A 38 LYS middle . . 88 A 39 GLY middle . false 89 A 40 SER middle . . 90 A 41 ASP middle . . 91 A 42 CYS middle -HG . 92 A 43 VAL middle . . 93 A 44 ASP middle . . 94 A 45 GLN middle . . 95 A 46 PHE middle . . 96 A 47 ARG middle . . 97 A 48 ALA middle . . 98 A 49 MET middle . . 99 A 50 GLN middle . . 100 A 51 GLU middle . . 101 A 52 CYS middle -HG . 102 A 53 MET middle . . 103 A 54 GLN middle . . 104 A 55 LYS middle . . 105 A 56 TYR middle . . 106 A 57 PRO middle . false 107 A 58 ASP middle . . 108 A 59 LEU middle . . 109 A 60 TYR middle . . 110 A 61 PRO middle . false 111 A 62 GLN middle . . 112 A 63 GLU middle . . 113 A 64 ASP middle . . 114 A 65 GLU middle . . 115 A 66 ASP middle . . 116 A 67 GLU middle . . 117 A 68 GLU middle . . 118 A 69 GLU middle . . 119 A 70 GLU middle . . 120 A 71 ARG middle . . 121 A 72 GLU middle . . 122 A 73 LYS middle . . 123 A 74 LYS middle . . 124 A 75 PRO middle . false 125 A 76 ALA middle . . 126 A 77 GLU middle . . 127 A 78 GLN middle . . 128 A 79 ALA middle . . 129 A 80 GLU middle . . 130 A 81 GLU middle . . 131 A 82 THR middle . . 132 A 83 ALA middle . . 133 A 84 PRO middle . false 134 A 85 ILE middle . . 135 A 86 GLU middle . . 136 A 87 ALA middle . . 137 A 88 THR middle . . 138 A 89 ALA middle . . 139 A 90 THR middle . . 140 A 91 LYS middle . . 141 A 92 GLU middle . . 142 A 93 GLU middle . . 143 A 94 GLU middle . . 144 A 95 GLY middle . false 145 A 96 SER middle . . 146 A 97 SER end . . 147 B 15 GLY start . false 148 B 16 SER middle . . 149 B 17 PHE middle . . 150 B 18 THR middle . . 151 B 19 MET middle . . 152 B 20 PRO middle . false 153 B 21 GLY middle . false 154 B 22 LEU middle . . 155 B 23 VAL middle . . 156 B 24 ASP middle . . 157 B 25 SER middle . . 158 B 26 ASN middle . . 159 B 27 PRO middle . false 160 B 28 ALA middle . . 161 B 29 LEU middle . . 162 B 30 PRO middle . false 163 B 31 GLU middle . . 164 B 32 SER middle . . 165 B 33 GLN middle . . 166 B 34 GLU middle . . 167 B 35 LYS middle . . 168 B 36 ARG middle . . 169 B 37 PRO middle . false 170 B 38 LEU middle . . 171 B 39 LYS middle . . 172 B 40 PRO middle . false 173 B 41 CYS middle . . 174 B 42 CYS middle . . 175 B 43 THR middle . . 176 B 44 CYS middle . . 177 B 45 PRO middle . false 178 B 46 GLU middle . . 179 B 47 THR middle . . 180 B 48 LYS middle . . 181 B 49 LYS middle . . 182 B 50 ALA middle . . 183 B 51 ARG middle . . 184 B 52 ASP middle . . 185 B 53 ALA middle . . 186 B 54 CYS middle . . 187 B 55 ILE middle . . 188 B 56 ILE middle . . 189 B 57 GLU middle . . 190 B 58 LYS middle . . 191 B 59 GLY middle . false 192 B 60 GLU middle . . 193 B 61 GLU middle . . 194 B 62 HIS middle . . 195 B 63 CYS middle -HG . 196 B 64 GLY middle . false 197 B 65 HIS middle . . 198 B 66 LEU middle . . 199 B 67 ILE middle . . 200 B 68 GLU middle . . 201 B 69 ALA middle . . 202 B 70 HIS middle . . 203 B 71 LYS middle . . 204 B 72 GLU middle . . 205 B 73 SER middle . . 206 B 74 MET middle . . 207 B 75 ARG middle . . 208 B 76 ALA middle . . 209 B 77 LEU middle . . 210 B 78 GLY middle . false 211 B 79 PHE middle . . 212 B 80 LYS middle . . 213 B 81 ILE end . . stop_ save_ save_Mia40_cs _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode Mia40_cs 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 -23 THR H H 1 8.27 0.02 A -23 THR C C 13 170.0 0.3 A -23 THR CA C 13 57.1 0.3 A -23 THR CB C 13 66.9 0.3 A -23 THR N N 15 118.4 0.3 A -21 SER H H 1 8.43 0.02 A -21 SER HA H 1 4.31 0.02 A -21 SER C C 13 172.1 0.3 A -21 SER CA C 13 55.5 0.3 A -21 SER CB C 13 61.1 0.3 A -21 SER N N 15 116.5 0.3 A -20 SER H H 1 8.27 0.02 A -20 SER HA H 1 4.29 0.02 A -20 SER C C 13 171.6 0.3 A -20 SER CA C 13 55.7 0.3 A -20 SER CB C 13 60.9 0.3 A -20 SER N N 15 117.6 0.3 A -19 ALA H H 1 8.20 0.02 A -19 ALA HA H 1 4.18 0.02 A -19 ALA C C 13 174.9 0.3 A -19 ALA CA C 13 50.0 0.3 A -19 ALA CB C 13 16.3 0.3 A -19 ALA N N 15 125.5 0.3 A -18 GLU H H 1 8.14 0.02 A -18 GLU HA H 1 4.12 0.02 A -18 GLU HBx H 1 1.83 0.02 A -18 GLU HBy H 1 1.92 0.02 A -18 GLU HGy H 1 2.14 0.02 A -18 GLU HGx H 1 2.12 0.02 A -18 GLU C C 13 173.5 0.3 A -18 GLU CA C 13 53.8 0.3 A -18 GLU CB C 13 27.3 0.3 A -18 GLU CG C 13 33.4 0.3 A -18 GLU N N 15 119.3 0.3 A -17 LEU H H 1 8.05 0.02 A -17 LEU HA H 1 4.23 0.02 A -17 LEU HBx H 1 1.41 0.02 A -17 LEU HBy H 1 1.49 0.02 A -17 LEU HG H 1 1.47 0.02 A -17 LEU C C 13 174.3 0.3 A -17 LEU CA C 13 52.3 0.3 A -17 LEU CB C 13 39.5 0.3 A -17 LEU CD1 C 13 22.0 0.3 A -17 LEU CD2 C 13 20.8 0.3 A -17 LEU CG C 13 24.2 0.3 A -17 LEU N N 15 123.1 0.3 A -16 VAL H H 1 8.05 0.02 A -16 VAL HA H 1 3.96 0.02 A -16 VAL HB H 1 1.92 0.02 A -16 VAL C C 13 172.9 0.3 A -16 VAL CA C 13 59.1 0.3 A -16 VAL CB C 13 29.9 0.3 A -16 VAL CG1 C 13 17.8 0.3 A -16 VAL CG2 C 13 18.5 0.3 A -16 VAL N N 15 122.0 0.3 A -15 ALA H H 1 8.29 0.02 A -15 ALA HA H 1 4.18 0.02 A -15 ALA C C 13 174.3 0.3 A -15 ALA CA C 13 49.4 0.3 A -15 ALA CB C 13 16.6 0.3 A -15 ALA N N 15 128.4 0.3 A -14 ASP H H 1 8.18 0.02 A -14 ASP HA H 1 4.34 0.02 A -14 ASP C C 13 172.8 0.3 A -14 ASP CA C 13 51.4 0.3 A -14 ASP CB C 13 38.4 0.3 A -14 ASP N N 15 120.2 0.3 A -13 ASP H H 1 8.23 0.02 A -13 ASP HA H 1 4.74 0.02 A -13 ASP HBy H 1 2.70 0.02 A -13 ASP HBx H 1 2.43 0.02 A -13 ASP C C 13 172.4 0.3 A -13 ASP CA C 13 49.1 0.3 A -13 ASP CB C 13 38.6 0.3 A -13 ASP N N 15 121.9 0.3 A -12 PRO HA H 1 4.26 0.02 A -12 PRO HBy H 1 2.10 0.02 A -12 PRO HBx H 1 1.82 0.02 A -12 PRO HDy H 1 3.70 0.02 A -12 PRO HDx H 1 3.60 0.02 A -12 PRO HGy H 1 1.90 0.02 A -12 PRO HGx H 1 1.83 0.02 A -12 PRO CA C 13 60.7 0.3 A -12 PRO CB C 13 29.2 0.3 A -12 PRO CD C 13 47.9 0.3 A -12 PRO CG C 13 24.0 0.3 A -11 ASN H H 1 8.39 0.02 A -11 ASN HA H 1 4.51 0.02 A -11 ASN HBy H 1 2.65 0.02 A -11 ASN HBx H 1 2.61 0.02 A -11 ASN HD21 H 1 6.84 0.02 A -11 ASN HD22 H 1 7.72 0.02 A -11 ASN C C 13 171.8 0.3 A -11 ASN CA C 13 50.5 0.3 A -11 ASN CB C 13 36.2 0.3 A -11 ASN N N 15 117.9 0.3 A -10 ASP H H 1 8.04 0.02 A -10 ASP HA H 1 4.72 0.02 A -10 ASP HBx H 1 2.41 0.02 A -10 ASP HBy H 1 2.66 0.02 A -10 ASP C C 13 171.7 0.3 A -10 ASP CA C 13 49.5 0.3 A -10 ASP CB C 13 38.3 0.3 A -10 ASP N N 15 121.6 0.3 A -8 TYR H H 1 8.21 0.02 A -8 TYR C C 13 173.1 0.3 A -8 TYR CA C 13 55.3 0.3 A -8 TYR CB C 13 35.5 0.3 A -8 TYR N N 15 119.8 0.3 A -7 GLU H H 1 7.86 0.02 A -7 GLU C C 13 173.2 0.3 A -7 GLU CA C 13 53.6 0.3 A -7 GLU CB C 13 27.6 0.3 A -7 GLU N N 15 122.3 0.3 A -5 HIS HA H 1 4.51 0.02 A -5 HIS HBy H 1 3.05 0.02 A -5 HIS HBx H 1 2.95 0.02 A -5 HIS CA C 13 53.1 0.3 A -5 HIS CB C 13 27.6 0.3 A -4 GLY H H 1 8.23 0.02 A -4 GLY HAx H 1 3.78 0.02 A -4 GLY HAy H 1 3.93 0.02 A -4 GLY C C 13 171.0 0.3 A -4 GLY CA C 13 42.7 0.3 A -4 GLY N N 15 108.8 0.3 A -3 LEU HA H 1 3.99 0.02 A -3 LEU HBx H 1 1.43 0.02 A -3 LEU HBy H 1 1.49 0.02 A -3 LEU HG H 1 0.74 0.02 A -3 LEU CA C 13 54.8 0.3 A -3 LEU CB C 13 40.2 0.3 A -3 LEU CD1 C 13 21.3 0.3 A -3 LEU CD2 C 13 21.1 0.3 A -3 LEU CG C 13 22.7 0.3 A -2 ILE H H 1 7.62 0.02 A -2 ILE HA H 1 4.21 0.02 A -2 ILE HB H 1 1.71 0.02 A -2 ILE HG1y H 1 1.26 0.02 A -2 ILE HG1x H 1 1.09 0.02 A -2 ILE C C 13 174.4 0.3 A -2 ILE CA C 13 54.8 0.3 A -2 ILE CB C 13 33.9 0.3 A -2 ILE CD1 C 13 6.8 0.3 A -2 ILE CG1 C 13 23.5 0.3 A -2 ILE CG2 C 13 14.0 0.3 A -2 ILE N N 15 115.3 0.3 A -1 LEU H H 1 8.73 0.02 A -1 LEU HA H 1 4.21 0.02 A -1 LEU HBy H 1 1.49 0.02 A -1 LEU HBx H 1 1.41 0.02 A -1 LEU HG H 1 0.66 0.02 A -1 LEU C C 13 174.4 0.3 A -1 LEU CA C 13 51.4 0.3 A -1 LEU CB C 13 37.4 0.3 A -1 LEU CD1 C 13 17.7 0.3 A -1 LEU CD2 C 13 19.6 0.3 A -1 LEU CG C 13 22.7 0.3 A -1 LEU N N 15 127.5 0.3 A 0 PRO HA H 1 4.15 0.02 A 0 PRO HBy H 1 2.24 0.02 A 0 PRO HBx H 1 1.72 0.02 A 0 PRO HGy H 1 2.01 0.02 A 0 PRO HGx H 1 1.91 0.02 A 0 PRO CA C 13 62.7 0.3 A 0 PRO CB C 13 29.2 0.3 A 0 PRO CD C 13 47.5 0.3 A 0 PRO CG C 13 24.7 0.3 A 1 ASN H H 1 7.21 0.02 A 1 ASN HA H 1 4.40 0.02 A 1 ASN HBy H 1 3.07 0.02 A 1 ASN HBx H 1 2.65 0.02 A 1 ASN HD21 H 1 6.44 0.02 A 1 ASN HD22 H 1 7.28 0.02 A 1 ASN C C 13 173.7 0.3 A 1 ASN CA C 13 49.5 0.3 A 1 ASN CB C 13 34.3 0.3 A 1 ASN N N 15 111.0 0.3 A 2 GLY H H 1 8.38 0.02 A 2 GLY HAy H 1 4.21 0.02 A 2 GLY HAx H 1 3.39 0.02 A 2 GLY C C 13 171.5 0.3 A 2 GLY CA C 13 42.2 0.3 A 2 GLY N N 15 108.3 0.3 A 3 ASN H H 1 7.83 0.02 A 3 ASN HA H 1 4.64 0.02 A 3 ASN HBx H 1 2.77 0.02 A 3 ASN HBy H 1 2.80 0.02 A 3 ASN HD21 H 1 6.92 0.02 A 3 ASN HD22 H 1 7.07 0.02 A 3 ASN C C 13 170.8 0.3 A 3 ASN CA C 13 49.4 0.3 A 3 ASN CB C 13 35.9 0.3 A 3 ASN N N 15 119.2 0.3 A 4 ILE H H 1 8.07 0.02 A 4 ILE HA H 1 3.53 0.02 A 4 ILE HB H 1 0.52 0.02 A 4 ILE HG1x H 1 0.14 0.02 A 4 ILE HG1y H 1 1.24 0.02 A 4 ILE C C 13 172.3 0.3 A 4 ILE CA C 13 59.0 0.3 A 4 ILE CB C 13 35.9 0.3 A 4 ILE CD1 C 13 11.0 0.3 A 4 ILE CG1 C 13 25.4 0.3 A 4 ILE CG2 C 13 12.6 0.3 A 4 ILE N N 15 120.1 0.3 A 5 ASN H H 1 8.71 0.02 A 5 ASN HA H 1 4.37 0.02 A 5 ASN HBy H 1 3.28 0.02 A 5 ASN HBx H 1 2.10 0.02 A 5 ASN HD21 H 1 7.70 0.02 A 5 ASN HD22 H 1 7.01 0.02 A 5 ASN C C 13 172.3 0.3 A 5 ASN CA C 13 47.4 0.3 A 5 ASN CB C 13 34.4 0.3 A 5 ASN N N 15 123.2 0.3 A 6 TRP H H 1 7.56 0.02 A 6 TRP HA H 1 4.31 0.02 A 6 TRP HBy H 1 3.25 0.02 A 6 TRP HBx H 1 2.85 0.02 A 6 TRP HD1 H 1 7.30 0.02 A 6 TRP HE1 H 1 10.10 0.02 A 6 TRP HE3 H 1 7.31 0.02 A 6 TRP HH2 H 1 7.35 0.02 A 6 TRP HZ2 H 1 7.46 0.02 A 6 TRP HZ3 H 1 6.71 0.02 A 6 TRP C C 13 172.3 0.3 A 6 TRP CA C 13 55.0 0.3 A 6 TRP CB C 13 26.2 0.3 A 6 TRP N N 15 124.5 0.3 A 7 ASN H H 1 7.44 0.02 A 7 ASN HA H 1 4.72 0.02 A 7 ASN HBy H 1 2.85 0.02 A 7 ASN HBx H 1 2.57 0.02 A 7 ASN HD21 H 1 6.88 0.02 A 7 ASN HD22 H 1 7.63 0.02 A 7 ASN C C 13 172.5 0.3 A 7 ASN CA C 13 49.4 0.3 A 7 ASN CB C 13 36.2 0.3 A 7 ASN N N 15 112.3 0.3 A 8 SER H H 1 7.31 0.02 A 8 SER HA H 1 4.33 0.02 A 8 SER HBy H 1 3.17 0.02 A 8 SER HBx H 1 2.27 0.02 A 8 SER C C 13 173.1 0.3 A 8 SER CA C 13 53.9 0.3 A 8 SER CB C 13 58.9 0.3 A 8 SER N N 15 115.4 0.3 A 10 CYS H H 1 8.67 0.02 A 10 CYS C C 13 175.4 0.3 A 10 CYS CA C 13 55.2 0.3 A 10 CYS CB C 13 36.8 0.3 A 10 CYS N N 15 119.5 0.3 A 11 LEU H H 1 7.84 0.02 A 11 LEU HA H 1 3.39 0.02 A 11 LEU HBy H 1 1.71 0.02 A 11 LEU HBx H 1 1.41 0.02 A 11 LEU HG H 1 1.08 0.02 A 11 LEU C C 13 175.3 0.3 A 11 LEU CA C 13 52.2 0.3 A 11 LEU CB C 13 39.7 0.3 A 11 LEU CD1 C 13 13.9 0.3 A 11 LEU CD2 C 13 6.8 0.3 A 11 LEU CG C 13 22.7 0.3 A 11 LEU N N 15 119.7 0.3 A 12 GLY H H 1 7.70 0.02 A 12 GLY HAy H 1 3.80 0.02 A 12 GLY HAx H 1 3.66 0.02 A 12 GLY C C 13 172.7 0.3 A 12 GLY CA C 13 44.6 0.3 A 12 GLY N N 15 106.5 0.3 A 13 GLY H H 1 8.59 0.02 A 13 GLY HAy H 1 3.79 0.02 A 13 GLY HAx H 1 3.67 0.02 A 13 GLY C C 13 174.0 0.3 A 13 GLY CA C 13 42.7 0.3 A 13 GLY N N 15 108.9 0.3 A 14 MET H H 1 7.58 0.02 A 14 MET HA H 1 3.86 0.02 A 14 MET HBx H 1 2.05 0.02 A 14 MET HBy H 1 2.05 0.02 A 14 MET HGx H 1 2.32 0.02 A 14 MET HGy H 1 2.32 0.02 A 14 MET C C 13 174.0 0.3 A 14 MET CA C 13 54.6 0.3 A 14 MET CB C 13 30.2 0.3 A 14 MET CG C 13 30.8 0.3 A 14 MET N N 15 118.3 0.3 A 15 ALA H H 1 7.93 0.02 A 15 ALA HA H 1 4.18 0.02 A 15 ALA C C 13 173.6 0.3 A 15 ALA CA C 13 49.8 0.3 A 15 ALA CB C 13 16.4 0.3 A 15 ALA N N 15 116.9 0.3 A 16 SER H H 1 7.46 0.02 A 16 SER HA H 1 4.56 0.02 A 16 SER HBx H 1 3.71 0.02 A 16 SER HBy H 1 3.74 0.02 A 16 SER C C 13 171.4 0.3 A 16 SER CA C 13 54.6 0.3 A 16 SER CB C 13 61.8 0.3 A 16 SER N N 15 111.9 0.3 A 17 GLY H H 1 7.68 0.02 A 17 GLY HAy H 1 3.96 0.02 A 17 GLY HAx H 1 3.79 0.02 A 17 GLY C C 13 170.8 0.3 A 17 GLY CA C 13 42.0 0.3 A 17 GLY N N 15 108.6 0.3 A 18 PRO HA H 1 4.18 0.02 A 18 PRO HBy H 1 1.77 0.02 A 18 PRO HBx H 1 1.28 0.02 A 18 PRO HDy H 1 3.38 0.02 A 18 PRO HDx H 1 3.24 0.02 A 18 PRO CA C 13 62.2 0.3 A 18 PRO CB C 13 28.6 0.3 A 18 PRO CD C 13 46.6 0.3 A 18 PRO CG C 13 23.5 0.3 A 19 CYS H H 1 7.71 0.02 A 19 CYS HA H 1 5.42 0.02 A 19 CYS HBy H 1 3.17 0.02 A 19 CYS HBx H 1 2.16 0.02 A 19 CYS C C 13 173.5 0.3 A 19 CYS CA C 13 49.5 0.3 A 19 CYS CB C 13 36.1 0.3 A 19 CYS N N 15 114.5 0.3 A 20 GLY H H 1 7.85 0.02 A 20 GLY HAy H 1 3.92 0.02 A 20 GLY HAx H 1 3.50 0.02 A 20 GLY C C 13 173.3 0.3 A 20 GLY CA C 13 45.3 0.3 A 20 GLY N N 15 110.2 0.3 A 21 GLU H H 1 8.65 0.02 A 21 GLU HA H 1 3.74 0.02 A 21 GLU HBx H 1 1.81 0.02 A 21 GLU HBy H 1 1.88 0.02 A 21 GLU HGy H 1 2.20 0.02 A 21 GLU HGx H 1 2.09 0.02 A 21 GLU C C 13 176.8 0.3 A 21 GLU CA C 13 56.5 0.3 A 21 GLU CB C 13 25.5 0.3 A 21 GLU CG C 13 31.1 0.3 A 21 GLU N N 15 119.8 0.3 A 22 GLN H H 1 8.86 0.02 A 22 GLN HA H 1 3.85 0.02 A 22 GLN HBy H 1 2.20 0.02 A 22 GLN HBx H 1 1.53 0.02 A 22 GLN HE21 H 1 7.39 0.02 A 22 GLN HE22 H 1 6.74 0.02 A 22 GLN HGy H 1 2.39 0.02 A 22 GLN HGx H 1 2.33 0.02 A 22 GLN C C 13 177.6 0.3 A 22 GLN CA C 13 57.6 0.3 A 22 GLN CB C 13 23.9 0.3 A 22 GLN CG C 13 31.3 0.3 A 22 GLN N N 15 120.7 0.3 A 23 PHE H H 1 8.92 0.02 A 23 PHE HA H 1 4.21 0.02 A 23 PHE HBx H 1 2.82 0.02 A 23 PHE HBy H 1 2.89 0.02 A 23 PHE HZ H 1 6.80 0.02 A 23 PHE C C 13 173.6 0.3 A 23 PHE CA C 13 59.3 0.3 A 23 PHE CB C 13 35.9 0.3 A 23 PHE N N 15 123.2 0.3 A 24 LYS H H 1 8.51 0.02 A 24 LYS HA H 1 3.42 0.02 A 24 LYS HBx H 1 1.06 0.02 A 24 LYS HBy H 1 1.39 0.02 A 24 LYS HDx H 1 0.68 0.02 A 24 LYS HDy H 1 0.85 0.02 A 24 LYS HGy H 1 1.07 0.02 A 24 LYS HGx H 1 0.79 0.02 A 24 LYS C C 13 177.5 0.3 A 24 LYS CA C 13 56.9 0.3 A 24 LYS CB C 13 29.4 0.3 A 24 LYS CD C 13 26.7 0.3 A 24 LYS CE C 13 38.5 0.3 A 24 LYS CG C 13 22.1 0.3 A 24 LYS N N 15 119.7 0.3 A 25 SER H H 1 7.86 0.02 A 25 SER HA H 1 4.13 0.02 A 25 SER HBx H 1 3.76 0.02 A 25 SER HBy H 1 3.81 0.02 A 25 SER C C 13 174.2 0.3 A 25 SER CA C 13 58.9 0.3 A 25 SER CB C 13 60.2 0.3 A 25 SER N N 15 113.7 0.3 A 26 ALA H H 1 7.89 0.02 A 26 ALA HA H 1 3.80 0.02 A 26 ALA C C 13 175.1 0.3 A 26 ALA CA C 13 52.9 0.3 A 26 ALA CB C 13 17.4 0.3 A 26 ALA N N 15 122.7 0.3 A 27 PHE H H 1 9.45 0.02 A 27 PHE HA H 1 3.71 0.02 A 27 PHE HBy H 1 2.49 0.02 A 27 PHE HBx H 1 2.01 0.02 A 27 PHE HDx H 1 6.86 0.02 A 27 PHE HDy H 1 6.86 0.02 A 27 PHE C C 13 174.5 0.3 A 27 PHE CA C 13 59.3 0.3 A 27 PHE CB C 13 36.1 0.3 A 27 PHE N N 15 119.9 0.3 A 28 SER H H 1 8.50 0.02 A 28 SER HA H 1 4.12 0.02 A 28 SER C C 13 172.2 0.3 A 28 SER CA C 13 60.0 0.3 A 28 SER CB C 13 60.3 0.3 A 28 SER N N 15 112.7 0.3 A 29 CYS H H 1 7.48 0.02 A 29 CYS HA H 1 4.02 0.02 A 29 CYS HBy H 1 3.12 0.02 A 29 CYS HBx H 1 2.95 0.02 A 29 CYS C C 13 174.0 0.3 A 29 CYS CA C 13 58.2 0.3 A 29 CYS CB C 13 36.4 0.3 A 29 CYS N N 15 119.0 0.3 A 30 PHE H H 1 8.27 0.02 A 30 PHE HA H 1 3.73 0.02 A 30 PHE HBy H 1 3.16 0.02 A 30 PHE HBx H 1 2.99 0.02 A 30 PHE C C 13 173.6 0.3 A 30 PHE CA C 13 60.2 0.3 A 30 PHE CB C 13 36.9 0.3 A 30 PHE N N 15 120.4 0.3 A 31 HIS H H 1 8.83 0.02 A 31 HIS HA H 1 3.50 0.02 A 31 HIS HBy H 1 2.24 0.02 A 31 HIS HBx H 1 2.21 0.02 A 31 HIS C C 13 175.6 0.3 A 31 HIS CA C 13 57.2 0.3 A 31 HIS CB C 13 28.0 0.3 A 31 HIS N N 15 118.2 0.3 A 32 TYR H H 1 7.78 0.02 A 32 TYR HA H 1 4.05 0.02 A 32 TYR HBy H 1 3.10 0.02 A 32 TYR HBx H 1 2.56 0.02 A 32 TYR C C 13 172.4 0.3 A 32 TYR CA C 13 56.1 0.3 A 32 TYR CB C 13 34.8 0.3 A 32 TYR N N 15 113.7 0.3 A 33 SER H H 1 7.06 0.02 A 33 SER HA H 1 4.44 0.02 A 33 SER HBx H 1 3.62 0.02 A 33 SER HBy H 1 3.69 0.02 A 33 SER C C 13 174.5 0.3 A 33 SER CA C 13 56.5 0.3 A 33 SER CB C 13 59.3 0.3 A 33 SER N N 15 115.5 0.3 A 34 THR H H 1 9.30 0.02 A 34 THR HA H 1 4.37 0.02 A 34 THR HB H 1 4.43 0.02 A 34 THR C C 13 172.1 0.3 A 34 THR CA C 13 57.8 0.3 A 34 THR CB C 13 65.8 0.3 A 34 THR CG2 C 13 18.4 0.3 A 34 THR N N 15 120.3 0.3 A 35 GLU H H 1 7.16 0.02 A 35 GLU HA H 1 3.86 0.02 A 35 GLU HBx H 1 2.08 0.02 A 35 GLU HBy H 1 2.15 0.02 A 35 GLU C C 13 173.5 0.3 A 35 GLU CA C 13 53.2 0.3 A 35 GLU CB C 13 28.3 0.3 A 35 GLU CG C 13 33.5 0.3 A 35 GLU N N 15 121.5 0.3 A 36 GLU H H 1 8.38 0.02 A 36 GLU HA H 1 3.71 0.02 A 36 GLU HBy H 1 1.89 0.02 A 36 GLU HBx H 1 1.80 0.02 A 36 GLU C C 13 175.7 0.3 A 36 GLU CA C 13 57.0 0.3 A 36 GLU CB C 13 26.6 0.3 A 36 GLU CG C 13 29.4 0.3 A 36 GLU N N 15 121.7 0.3 A 37 ILE H H 1 8.08 0.02 A 37 ILE HA H 1 4.03 0.02 A 37 ILE HB H 1 1.72 0.02 A 37 ILE HG1y H 1 1.37 0.02 A 37 ILE HG1x H 1 1.04 0.02 A 37 ILE C C 13 172.3 0.3 A 37 ILE CA C 13 57.2 0.3 A 37 ILE CB C 13 32.7 0.3 A 37 ILE CD1 C 13 9.3 0.3 A 37 ILE CG1 C 13 24.0 0.3 A 37 ILE CG2 C 13 14.6 0.3 A 37 ILE N N 15 117.8 0.3 A 38 LYS H H 1 8.25 0.02 A 38 LYS HA H 1 3.49 0.02 A 38 LYS C C 13 175.2 0.3 A 38 LYS CA C 13 57.3 0.3 A 38 LYS CB C 13 30.0 0.3 A 38 LYS CD C 13 26.4 0.3 A 38 LYS CE C 13 38.5 0.3 A 38 LYS CG C 13 21.9 0.3 A 38 LYS N N 15 130.5 0.3 A 39 GLY H H 1 8.83 0.02 A 39 GLY HAy H 1 4.43 0.02 A 39 GLY HAx H 1 3.47 0.02 A 39 GLY C C 13 171.9 0.3 A 39 GLY CA C 13 42.4 0.3 A 39 GLY N N 15 110.5 0.3 A 40 SER H H 1 8.57 0.02 A 40 SER HA H 1 3.97 0.02 A 40 SER HBx H 1 3.84 0.02 A 40 SER HBy H 1 3.95 0.02 A 40 SER C C 13 171.1 0.3 A 40 SER CA C 13 58.8 0.3 A 40 SER CB C 13 59.3 0.3 A 40 SER N N 15 116.1 0.3 A 41 ASP H H 1 10.44 0.02 A 41 ASP HA H 1 4.53 0.02 A 41 ASP HBx H 1 2.44 0.02 A 41 ASP HBy H 1 2.83 0.02 A 41 ASP C C 13 173.5 0.3 A 41 ASP CA C 13 50.5 0.3 A 41 ASP CB C 13 34.8 0.3 A 41 ASP N N 15 116.1 0.3 A 42 CYS H H 1 7.41 0.02 A 42 CYS HA H 1 5.17 0.02 A 42 CYS HBx H 1 2.42 0.02 A 42 CYS HBy H 1 2.84 0.02 A 42 CYS C C 13 172.4 0.3 A 42 CYS CA C 13 50.7 0.3 A 42 CYS CB C 13 38.2 0.3 A 42 CYS N N 15 117.1 0.3 A 43 VAL H H 1 7.26 0.02 A 43 VAL HA H 1 3.30 0.02 A 43 VAL HB H 1 1.97 0.02 A 43 VAL C C 13 175.8 0.3 A 43 VAL CA C 13 64.4 0.3 A 43 VAL CB C 13 28.9 0.3 A 43 VAL CG1 C 13 19.2 0.3 A 43 VAL CG2 C 13 18.2 0.3 A 43 VAL N N 15 119.6 0.3 A 44 ASP H H 1 8.89 0.02 A 44 ASP HA H 1 4.23 0.02 A 44 ASP C C 13 176.5 0.3 A 44 ASP CA C 13 55.1 0.3 A 44 ASP CB C 13 36.8 0.3 A 44 ASP N N 15 120.6 0.3 A 45 GLN H H 1 9.00 0.02 A 45 GLN HA H 1 3.89 0.02 A 45 GLN HBy H 1 2.03 0.02 A 45 GLN HBx H 1 1.97 0.02 A 45 GLN HE21 H 1 7.40 0.02 A 45 GLN HE22 H 1 7.01 0.02 A 45 GLN HGy H 1 2.47 0.02 A 45 GLN HGx H 1 2.40 0.02 A 45 GLN C C 13 177.9 0.3 A 45 GLN CA C 13 57.3 0.3 A 45 GLN CB C 13 24.2 0.3 A 45 GLN CG C 13 31.8 0.3 A 45 GLN N N 15 121.6 0.3 A 46 PHE H H 1 9.03 0.02 A 46 PHE HA H 1 4.14 0.02 A 46 PHE HBx H 1 3.10 0.02 A 46 PHE HBy H 1 3.12 0.02 A 46 PHE HDx H 1 6.10 0.02 A 46 PHE HDy H 1 6.10 0.02 A 46 PHE HEx H 1 7.16 0.02 A 46 PHE HEy H 1 7.16 0.02 A 46 PHE C C 13 175.2 0.3 A 46 PHE CA C 13 55.0 0.3 A 46 PHE CB C 13 34.7 0.3 A 46 PHE N N 15 123.0 0.3 A 47 ARG H H 1 8.48 0.02 A 47 ARG HA H 1 4.03 0.02 A 47 ARG HDx H 1 3.14 0.02 A 47 ARG HDy H 1 3.16 0.02 A 47 ARG HGx H 1 1.51 0.02 A 47 ARG HGy H 1 1.69 0.02 A 47 ARG C C 13 175.7 0.3 A 47 ARG CA C 13 57.2 0.3 A 47 ARG CB C 13 26.6 0.3 A 47 ARG CD C 13 40.5 0.3 A 47 ARG CG C 13 24.3 0.3 A 47 ARG N N 15 121.6 0.3 A 48 ALA H H 1 8.01 0.02 A 48 ALA HA H 1 4.13 0.02 A 48 ALA C C 13 178.6 0.3 A 48 ALA CA C 13 52.1 0.3 A 48 ALA CB C 13 14.8 0.3 A 48 ALA N N 15 120.5 0.3 A 49 MET H H 1 7.63 0.02 A 49 MET HA H 1 3.85 0.02 A 49 MET HBx H 1 2.02 0.02 A 49 MET HBy H 1 2.09 0.02 A 49 MET C C 13 173.9 0.3 A 49 MET CA C 13 56.7 0.3 A 49 MET CB C 13 29.8 0.3 A 49 MET CE C 13 39.3 0.3 A 49 MET CG C 13 30.8 0.3 A 49 MET N N 15 118.2 0.3 A 50 GLN H H 1 8.41 0.02 A 50 GLN HA H 1 3.77 0.02 A 50 GLN HGy H 1 2.18 0.02 A 50 GLN HGx H 1 2.09 0.02 A 50 GLN C C 13 175.0 0.3 A 50 GLN CA C 13 57.2 0.3 A 50 GLN CB C 13 25.6 0.3 A 50 GLN CG C 13 33.1 0.3 A 50 GLN N N 15 120.7 0.3 A 51 GLU H H 1 8.71 0.02 A 51 GLU HA H 1 3.78 0.02 A 51 GLU HBx H 1 1.90 0.02 A 51 GLU HBy H 1 1.98 0.02 A 51 GLU HGy H 1 2.40 0.02 A 51 GLU HGx H 1 2.08 0.02 A 51 GLU C C 13 176.0 0.3 A 51 GLU CA C 13 56.5 0.3 A 51 GLU CB C 13 26.7 0.3 A 51 GLU CG C 13 34.0 0.3 A 51 GLU N N 15 117.0 0.3 A 52 CYS H H 1 7.37 0.02 A 52 CYS HA H 1 4.21 0.02 A 52 CYS HBx H 1 3.00 0.02 A 52 CYS HBy H 1 3.10 0.02 A 52 CYS C C 13 173.6 0.3 A 52 CYS CA C 13 58.2 0.3 A 52 CYS CB C 13 36.2 0.3 A 52 CYS N N 15 117.1 0.3 A 53 MET H H 1 8.30 0.02 A 53 MET HA H 1 3.82 0.02 A 53 MET HBx H 1 1.79 0.02 A 53 MET HBy H 1 1.83 0.02 A 53 MET C C 13 177.3 0.3 A 53 MET CA C 13 57.3 0.3 A 53 MET CB C 13 29.7 0.3 A 53 MET CE C 13 47.9 0.3 A 53 MET CG C 13 29.1 0.3 A 53 MET N N 15 118.8 0.3 A 54 GLN H H 1 7.98 0.02 A 54 GLN HA H 1 3.88 0.02 A 54 GLN HBx H 1 1.96 0.02 A 54 GLN HBy H 1 2.05 0.02 A 54 GLN HE21 H 1 7.39 0.02 A 54 GLN HE22 H 1 6.74 0.02 A 54 GLN HGy H 1 2.50 0.02 A 54 GLN HGx H 1 2.40 0.02 A 54 GLN C C 13 174.1 0.3 A 54 GLN CA C 13 55.2 0.3 A 54 GLN CB C 13 25.6 0.3 A 54 GLN CG C 13 31.5 0.3 A 54 GLN N N 15 117.2 0.3 A 55 LYS H H 1 7.49 0.02 A 55 LYS HA H 1 3.87 0.02 A 55 LYS HBy H 1 1.69 0.02 A 55 LYS HBx H 1 1.32 0.02 A 55 LYS HGx H 1 1.08 0.02 A 55 LYS HGy H 1 1.48 0.02 A 55 LYS C C 13 173.2 0.3 A 55 LYS CA C 13 54.6 0.3 A 55 LYS CB C 13 29.4 0.3 A 55 LYS CD C 13 26.1 0.3 A 55 LYS CE C 13 39.3 0.3 A 55 LYS CG C 13 22.7 0.3 A 55 LYS N N 15 116.9 0.3 A 56 TYR H H 1 7.35 0.02 A 56 TYR HA H 1 5.03 0.02 A 56 TYR HBx H 1 2.98 0.02 A 56 TYR HBy H 1 3.02 0.02 A 56 TYR C C 13 170.8 0.3 A 56 TYR CA C 13 52.3 0.3 A 56 TYR CB C 13 36.7 0.3 A 56 TYR N N 15 115.6 0.3 A 57 PRO HA H 1 4.41 0.02 A 57 PRO HBy H 1 2.16 0.02 A 57 PRO HBx H 1 1.89 0.02 A 57 PRO HDy H 1 3.58 0.02 A 57 PRO HDx H 1 3.48 0.02 A 57 PRO HGy H 1 1.90 0.02 A 57 PRO HGx H 1 1.85 0.02 A 57 PRO CA C 13 62.0 0.3 A 57 PRO CB C 13 28.7 0.3 A 57 PRO CD C 13 47.8 0.3 A 57 PRO CG C 13 24.6 0.3 A 58 ASP H H 1 8.75 0.02 A 58 ASP HA H 1 4.28 0.02 A 58 ASP HBx H 1 2.41 0.02 A 58 ASP HBy H 1 2.53 0.02 A 58 ASP C C 13 174.1 0.3 A 58 ASP CA C 13 52.4 0.3 A 58 ASP CB C 13 36.8 0.3 A 58 ASP N N 15 114.6 0.3 A 59 LEU H H 1 7.24 0.02 A 59 LEU HA H 1 3.99 0.02 A 59 LEU HBy H 1 1.16 0.02 A 59 LEU HBx H 1 0.58 0.02 A 59 LEU HG H 1 1.23 0.02 A 59 LEU C C 13 173.8 0.3 A 59 LEU CA C 13 52.6 0.3 A 59 LEU CB C 13 40.0 0.3 A 59 LEU CD1 C 13 20.0 0.3 A 59 LEU CD2 C 13 14.1 0.3 A 59 LEU CG C 13 24.1 0.3 A 59 LEU N N 15 119.0 0.3 A 60 TYR H H 1 7.54 0.02 A 60 TYR HA H 1 4.99 0.02 A 60 TYR C C 13 169.7 0.3 A 60 TYR CA C 13 51.1 0.3 A 60 TYR CB C 13 35.8 0.3 A 60 TYR N N 15 117.0 0.3 A 62 GLN H H 1 8.57 0.02 A 62 GLN C C 13 173.2 0.3 A 62 GLN CA C 13 52.1 0.3 A 62 GLN CB C 13 27.4 0.3 A 62 GLN N N 15 121.6 0.3 A 76 ALA H H 1 8.34 0.02 A 76 ALA C C 13 175.2 0.3 A 76 ALA CA C 13 49.8 0.3 A 76 ALA CB C 13 16.2 0.3 A 76 ALA N N 15 124.5 0.3 A 77 GLU H H 1 8.32 0.02 A 77 GLU C C 13 173.7 0.3 A 77 GLU CA C 13 53.7 0.3 A 77 GLU CB C 13 27.5 0.3 A 77 GLU N N 15 120.1 0.3 A 78 GLN H H 1 8.28 0.02 A 78 GLN C C 13 172.7 0.3 A 78 GLN CA C 13 52.8 0.3 A 78 GLN CB C 13 26.9 0.3 A 78 GLN N N 15 121.4 0.3 A 79 ALA H H 1 8.30 0.02 A 79 ALA HA H 1 4.17 0.02 A 79 ALA C C 13 174.8 0.3 A 79 ALA CA C 13 49.6 0.3 A 79 ALA CB C 13 16.4 0.3 A 79 ALA N N 15 126.1 0.3 A 80 GLU H H 1 8.34 0.02 A 80 GLU HA H 1 4.16 0.02 A 80 GLU HBx H 1 1.80 0.02 A 80 GLU HBy H 1 2.11 0.02 A 80 GLU C C 13 173.4 0.3 A 80 GLU CA C 13 53.7 0.3 A 80 GLU CB C 13 27.5 0.3 A 80 GLU CG C 13 33.4 0.3 A 80 GLU N N 15 120.5 0.3 A 81 GLU H H 1 8.38 0.02 A 81 GLU HA H 1 4.13 0.02 A 81 GLU HBx H 1 1.84 0.02 A 81 GLU HBy H 1 2.12 0.02 A 81 GLU C C 13 173.7 0.3 A 81 GLU CA C 13 53.7 0.3 A 81 GLU CB C 13 27.5 0.3 A 81 GLU CG C 13 33.4 0.3 A 81 GLU N N 15 121.9 0.3 A 82 THR H H 1 8.14 0.02 A 82 THR HA H 1 4.19 0.02 A 82 THR HB H 1 1.88 0.02 A 82 THR C C 13 171.1 0.3 A 82 THR CA C 13 58.9 0.3 A 82 THR CB C 13 67.1 0.3 A 82 THR CG2 C 13 18.9 0.3 A 82 THR N N 15 116.2 0.3 A 83 ALA H H 1 8.28 0.02 A 83 ALA HA H 1 4.69 0.02 A 83 ALA C C 13 172.7 0.3 A 83 ALA CA C 13 47.8 0.3 A 83 ALA CB C 13 15.1 0.3 A 83 ALA N N 15 128.3 0.3 A 84 PRO HA H 1 4.29 0.02 A 84 PRO HBy H 1 2.16 0.02 A 84 PRO HBx H 1 1.76 0.02 A 84 PRO HDy H 1 3.70 0.02 A 84 PRO HDx H 1 3.52 0.02 A 84 PRO HGy H 1 1.90 0.02 A 84 PRO HGx H 1 1.08 0.02 A 84 PRO CA C 13 60.0 0.3 A 84 PRO CB C 13 29.2 0.3 A 84 PRO CD C 13 47.9 0.3 A 84 PRO CG C 13 24.6 0.3 A 85 ILE H H 1 8.18 0.02 A 85 ILE HA H 1 4.01 0.02 A 85 ILE HB H 1 1.71 0.02 A 85 ILE HG1y H 1 1.38 0.02 A 85 ILE HG1x H 1 1.09 0.02 A 85 ILE C C 13 173.7 0.3 A 85 ILE CA C 13 58.4 0.3 A 85 ILE CB C 13 35.9 0.3 A 85 ILE CD1 C 13 24.5 0.3 A 85 ILE CG1 C 13 14.7 0.3 A 85 ILE CG2 C 13 10.1 0.3 A 85 ILE N N 15 121.3 0.3 A 86 GLU H H 1 8.41 0.02 A 86 GLU HA H 1 4.16 0.02 A 86 GLU HBx H 1 1.83 0.02 A 86 GLU HBy H 1 1.92 0.02 A 86 GLU C C 13 173.3 0.3 A 86 GLU CA C 13 53.6 0.3 A 86 GLU CB C 13 27.4 0.3 A 86 GLU CG C 13 33.4 0.3 A 86 GLU N N 15 125.3 0.3 A 87 ALA H H 1 8.31 0.02 A 87 ALA HA H 1 4.18 0.02 A 87 ALA C C 13 175.1 0.3 A 87 ALA CA C 13 49.7 0.3 A 87 ALA CB C 13 16.3 0.3 A 87 ALA N N 15 126.0 0.3 A 88 THR H H 1 8.03 0.02 A 88 THR HA H 1 4.23 0.02 A 88 THR HB H 1 4.05 0.02 A 88 THR C C 13 171.5 0.3 A 88 THR CA C 13 59.0 0.3 A 88 THR CB C 13 67.0 0.3 A 88 THR CG2 C 13 18.8 0.3 A 88 THR N N 15 113.6 0.3 A 89 ALA H H 1 8.23 0.02 A 89 ALA HA H 1 4.16 0.02 A 89 ALA C C 13 175.1 0.3 A 89 ALA CA C 13 49.6 0.3 A 89 ALA CB C 13 16.4 0.3 A 89 ALA N N 15 126.8 0.3 A 90 THR H H 1 8.11 0.02 A 90 THR HA H 1 4.09 0.02 A 90 THR HB H 1 4.08 0.02 A 90 THR C C 13 171.6 0.3 A 90 THR CA C 13 59.1 0.3 A 90 THR CB C 13 67.1 0.3 A 90 THR CG2 C 13 18.8 0.3 A 90 THR N N 15 114.5 0.3 A 91 LYS H H 1 8.31 0.02 A 91 LYS HA H 1 4.21 0.02 A 91 LYS HBy H 1 1.71 0.02 A 91 LYS HBx H 1 1.65 0.02 A 91 LYS HDx H 1 1.55 0.02 A 91 LYS HDy H 1 2.87 0.02 A 91 LYS HEx H 1 1.55 0.02 A 91 LYS HEy H 1 2.87 0.02 A 91 LYS HGx H 1 1.31 0.02 A 91 LYS HGy H 1 1.56 0.02 A 91 LYS C C 13 173.7 0.3 A 91 LYS CA C 13 53.4 0.3 A 91 LYS CB C 13 30.1 0.3 A 91 LYS CD C 13 26.2 0.3 A 91 LYS CE C 13 39.3 0.3 A 91 LYS CG C 13 21.8 0.3 A 91 LYS N N 15 124.1 0.3 A 92 GLU H H 1 8.45 0.02 A 92 GLU HA H 1 4.12 0.02 A 92 GLU HBy H 1 1.93 0.02 A 92 GLU HBx H 1 1.83 0.02 A 92 GLU C C 13 174.0 0.3 A 92 GLU CA C 13 53.9 0.3 A 92 GLU CB C 13 27.2 0.3 A 92 GLU CG C 13 33.4 0.3 A 92 GLU N N 15 122.8 0.3 A 93 GLU H H 1 8.15 0.02 A 93 GLU HA H 1 4.11 0.02 A 93 GLU HBx H 1 1.86 0.02 A 93 GLU HBy H 1 1.91 0.02 A 93 GLU C C 13 173.8 0.3 A 93 GLU CA C 13 53.8 0.3 A 93 GLU CB C 13 27.8 0.3 A 93 GLU CG C 13 33.4 0.3 A 93 GLU N N 15 122.2 0.3 A 94 GLU H H 1 8.42 0.02 A 94 GLU HA H 1 4.16 0.02 A 94 GLU C C 13 174.4 0.3 A 94 GLU CA C 13 54.2 0.3 A 94 GLU CB C 13 27.4 0.3 A 94 GLU CG C 13 33.4 0.3 A 94 GLU N N 15 122.6 0.3 A 95 GLY H H 1 8.40 0.02 A 95 GLY HAy H 1 4.20 0.02 A 95 GLY HAx H 1 3.87 0.02 A 95 GLY C C 13 171.4 0.3 A 95 GLY CA C 13 42.5 0.3 A 95 GLY N N 15 110.2 0.3 A 96 SER H H 1 8.12 0.02 A 96 SER C C 13 171.1 0.3 A 96 SER CA C 13 55.5 0.3 A 96 SER CB C 13 61.3 0.3 A 96 SER N N 15 115.6 0.3 A 97 SER H H 1 7.97 0.02 A 97 SER C C 13 175.9 0.3 A 97 SER CA C 13 57.1 0.3 A 97 SER CB C 13 61.8 0.3 A 97 SER N N 15 122.9 0.3 B 18 THR H H 1 7.99 0.02 B 18 THR C C 13 170.9 0.3 B 18 THR CA C 13 58.8 0.3 B 18 THR CB C 13 67.2 0.3 B 18 THR N N 15 117.3 0.3 B 19 MET H H 1 8.25 0.02 B 19 MET C C 13 171.2 0.3 B 19 MET CA C 13 50.5 0.3 B 19 MET CB C 13 29.7 0.3 B 19 MET N N 15 124.4 0.3 B 21 GLY H H 1 8.37 0.02 B 21 GLY C C 13 171.2 0.3 B 21 GLY CA C 13 42.4 0.3 B 21 GLY N N 15 108.9 0.3 B 22 LEU H H 1 7.92 0.02 B 22 LEU C C 13 174.6 0.3 B 22 LEU CA C 13 52.4 0.3 B 22 LEU CB C 13 39.6 0.3 B 22 LEU N N 15 121.6 0.3 B 23 VAL H H 1 8.05 0.02 B 23 VAL C C 13 173.0 0.3 B 23 VAL CA C 13 59.4 0.3 B 23 VAL CB C 13 30.1 0.3 B 23 VAL N N 15 120.8 0.3 B 24 ASP H H 1 8.30 0.02 B 24 ASP C C 13 173.3 0.3 B 24 ASP CA C 13 51.5 0.3 B 24 ASP CB C 13 38.5 0.3 B 24 ASP N N 15 124.2 0.3 B 25 SER H H 1 8.13 0.02 B 25 SER C C 13 171.2 0.3 B 25 SER CA C 13 55.5 0.3 B 25 SER CB C 13 61.1 0.3 B 25 SER N N 15 116.2 0.3 B 26 ASN H H 1 8.37 0.02 B 26 ASN C C 13 170.0 0.3 B 26 ASN CA C 13 48.8 0.3 B 26 ASN CB C 13 36.1 0.3 B 26 ASN N N 15 121.4 0.3 B 28 ALA H H 1 8.26 0.02 B 28 ALA C C 13 172.2 0.3 B 28 ALA CA C 13 47.5 0.3 B 28 ALA CB C 13 15.2 0.3 B 28 ALA N N 15 125.7 0.3 B 31 GLU H H 1 8.55 0.02 B 31 GLU C C 13 173.9 0.3 B 31 GLU CA C 13 54.1 0.3 B 31 GLU CB C 13 27.2 0.3 B 31 GLU N N 15 120.5 0.3 B 32 SER H H 1 8.24 0.02 B 32 SER C C 13 172.0 0.3 B 32 SER CA C 13 55.6 0.3 B 32 SER CB C 13 61.0 0.3 B 32 SER N N 15 116.3 0.3 B 33 GLN H H 1 8.30 0.02 B 33 GLN C C 13 173.1 0.3 B 33 GLN CA C 13 53.1 0.3 B 33 GLN CB C 13 26.8 0.3 B 33 GLN N N 15 122.2 0.3 B 34 GLU H H 1 8.25 0.02 B 34 GLU C C 13 173.5 0.3 B 34 GLU CA C 13 53.9 0.3 B 34 GLU CB C 13 27.3 0.3 B 34 GLU N N 15 121.7 0.3 B 35 LYS H H 1 8.27 0.02 B 35 LYS C C 13 173.5 0.3 B 35 LYS CA C 13 53.2 0.3 B 35 LYS CB C 13 29.9 0.3 B 35 LYS N N 15 122.8 0.3 B 36 LYS H H 1 8.22 0.02 B 36 LYS C C 13 171.6 0.3 B 36 LYS CA C 13 51.3 0.3 B 36 LYS CB C 13 29.7 0.3 B 36 LYS N N 15 124.0 0.3 B 38 LEU H H 1 8.26 0.02 B 38 LEU C C 13 174.4 0.3 B 38 LEU CA C 13 52.3 0.3 B 38 LEU CB C 13 39.8 0.3 B 38 LEU N N 15 122.7 0.3 B 39 LYS H H 1 8.18 0.02 B 39 LYS C C 13 171.6 0.3 B 39 LYS CA C 13 51.2 0.3 B 39 LYS CB C 13 29.9 0.3 B 39 LYS N N 15 123.2 0.3 B 43 ALA H H 1 8.35 0.02 B 43 ALA C C 13 174.5 0.3 B 43 ALA CA C 13 49.6 0.3 B 43 ALA CB C 13 16.6 0.3 B 43 ALA N N 15 126.6 0.3 B 44 SER H H 1 8.26 0.02 B 44 SER C C 13 170.2 0.3 B 44 SER CA C 13 53.5 0.3 B 44 SER CB C 13 60.6 0.3 B 44 SER N N 15 116.7 0.3 B 46 GLU H H 1 8.48 0.02 B 46 GLU C C 13 174.2 0.3 B 46 GLU CA C 13 54.2 0.3 B 46 GLU CB C 13 27.2 0.3 B 46 GLU N N 15 120.4 0.3 B 47 THR H H 1 8.04 0.02 B 47 THR C C 13 171.9 0.3 B 47 THR CA C 13 59.5 0.3 B 47 THR CB C 13 66.9 0.3 B 47 THR N N 15 115.6 0.3 B 48 LYS H H 1 8.19 0.02 B 48 LYS C C 13 173.6 0.3 B 48 LYS CA C 13 53.8 0.3 B 48 LYS CB C 13 30.3 0.3 B 48 LYS N N 15 123.9 0.3 B 50 ALA H H 1 8.21 0.02 B 50 ALA C C 13 175.2 0.3 B 50 ALA CA C 13 49.8 0.3 B 50 ALA CB C 13 16.3 0.3 B 50 ALA N N 15 125.3 0.3 B 51 ARG H H 1 8.25 0.02 B 51 ARG C C 13 173.5 0.3 B 51 ARG CA C 13 53.7 0.3 B 51 ARG CB C 13 28.2 0.3 B 51 ARG N N 15 120.4 0.3 B 52 ASP H H 1 8.23 0.02 B 52 ASP C C 13 173.4 0.3 B 52 ASP CA C 13 51.6 0.3 B 52 ASP CB C 13 38.3 0.3 B 52 ASP N N 15 121.5 0.3 B 53 ALA H H 1 8.18 0.02 B 53 ALA C C 13 175.1 0.3 B 53 ALA CA C 13 50.1 0.3 B 53 ALA CB C 13 16.2 0.3 B 53 ALA N N 15 124.7 0.3 B 55 ILE H H 1 7.82 0.02 B 55 ILE C C 13 173.4 0.3 B 55 ILE CA C 13 58.6 0.3 B 55 ILE CB C 13 35.6 0.3 B 55 ILE N N 15 121.9 0.3 B 56 ILE H H 1 7.98 0.02 B 56 ILE C C 13 173.5 0.3 B 56 ILE CA C 13 58.4 0.3 B 56 ILE CB C 13 35.6 0.3 B 56 ILE N N 15 124.5 0.3 B 57 GLU H H 1 8.34 0.02 B 57 GLU C C 13 173.6 0.3 B 57 GLU CA C 13 53.8 0.3 B 57 GLU CB C 13 27.4 0.3 B 57 GLU N N 15 125.3 0.3 B 58 LYS H H 1 8.29 0.02 B 58 LYS C C 13 174.3 0.3 B 58 LYS CA C 13 53.8 0.3 B 58 LYS CB C 13 30.2 0.3 B 58 LYS N N 15 122.3 0.3 B 59 GLY H H 1 8.37 0.02 B 59 GLY C C 13 171.4 0.3 B 59 GLY CA C 13 42.5 0.3 B 59 GLY N N 15 110.0 0.3 B 61 GLU H H 1 8.49 0.02 B 61 GLU C C 13 173.7 0.3 B 61 GLU CA C 13 54.2 0.3 B 61 GLU CB C 13 27.4 0.3 B 61 GLU N N 15 121.6 0.3 B 62 HIS H H 1 8.30 0.02 B 62 HIS C C 13 172.6 0.3 B 62 HIS CA C 13 53.5 0.3 B 62 HIS CB C 13 27.7 0.3 B 62 HIS N N 15 120.1 0.3 B 64 GLY H H 1 8.05 0.02 B 64 GLY C C 13 171.1 0.3 B 64 GLY CA C 13 42.4 0.3 B 64 GLY N N 15 107.9 0.3 B 66 LEU H H 1 7.98 0.02 B 66 LEU C C 13 174.7 0.3 B 66 LEU CA C 13 52.7 0.3 B 66 LEU CB C 13 39.3 0.3 B 66 LEU N N 15 122.9 0.3 B 67 ILE H H 1 7.95 0.02 B 67 ILE C C 13 173.9 0.3 B 67 ILE CA C 13 58.9 0.3 B 67 ILE CB C 13 35.6 0.3 B 67 ILE N N 15 121.6 0.3 B 68 GLU H H 1 8.32 0.02 B 68 GLU C C 13 174.1 0.3 B 68 GLU CA C 13 54.5 0.3 B 68 GLU CB C 13 27.1 0.3 B 68 GLU N N 15 124.1 0.3 B 69 ALA H H 1 8.14 0.02 B 69 ALA C C 13 175.6 0.3 B 69 ALA CA C 13 50.5 0.3 B 69 ALA CB C 13 15.9 0.3 B 69 ALA N N 15 123.8 0.3 B 70 HIS H H 1 8.12 0.02 B 70 HIS C C 13 173.5 0.3 B 70 HIS CA C 13 54.3 0.3 B 70 HIS CB C 13 27.5 0.3 B 70 HIS N N 15 118.4 0.3 B 71 LYS H H 1 8.05 0.02 B 71 LYS C C 13 174.7 0.3 B 71 LYS CA C 13 55.1 0.3 B 71 LYS CB C 13 30.0 0.3 B 71 LYS N N 15 121.7 0.3 B 72 GLU H H 1 8.38 0.02 B 72 GLU C C 13 174.9 0.3 B 72 GLU CA C 13 54.9 0.3 B 72 GLU CB C 13 26.9 0.3 B 72 GLU N N 15 120.6 0.3 B 73 SER H H 1 8.13 0.02 B 73 SER C C 13 172.6 0.3 B 73 SER CA C 13 56.8 0.3 B 73 SER CB C 13 60.9 0.3 B 73 SER N N 15 116.2 0.3 B 74 MET H H 1 8.06 0.02 B 74 MET C C 13 174.5 0.3 B 74 MET CA C 13 53.6 0.3 B 74 MET CB C 13 29.7 0.3 B 74 MET N N 15 121.0 0.3 B 75 ARG H H 1 8.08 0.02 B 75 ARG C C 13 174.5 0.3 B 75 ARG CA C 13 54.5 0.3 B 75 ARG CB C 13 27.7 0.3 B 75 ARG N N 15 121.5 0.3 B 76 ALA H H 1 8.05 0.02 B 76 ALA C C 13 175.3 0.3 B 76 ALA CA C 13 50.3 0.3 B 76 ALA CB C 13 16.0 0.3 B 76 ALA N N 15 123.8 0.3 B 77 LEU H H 1 7.85 0.02 B 77 LEU C C 13 175.1 0.3 B 77 LEU CA C 13 52.6 0.3 B 77 LEU CB C 13 39.6 0.3 B 77 LEU N N 15 119.8 0.3 B 79 PHE H H 1 7.76 0.02 B 79 PHE C C 13 172.4 0.3 B 79 PHE CA C 13 54.8 0.3 B 79 PHE CB C 13 36.9 0.3 B 79 PHE N N 15 119.5 0.3 B 80 LYS H H 1 8.16 0.02 B 80 LYS C C 13 172.2 0.3 B 80 LYS CA C 13 53.4 0.3 B 80 LYS CB C 13 30.1 0.3 B 80 LYS N N 15 123.9 0.3 stop_ save_ save_AMBER_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_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 27 PHE HDx A 23 PHE HEy 1.0 1.8 5.49 2 1 A 27 PHE HDy A 23 PHE HEy 1.0 1.8 5.49 3 1 A 23 PHE HEx A 27 PHE HDy 1.0 1.8 5.49 4 1 A 23 PHE HEx A 27 PHE HDx 1.0 1.8 5.49 5 2 A 18 PRO HA A 56 TYR HDy 1.0 1.8 6.83 6 2 A 18 PRO HA A 56 TYR HDx 1.0 1.8 6.83 7 3 A 6 TRP HH2 A 28 SER HA 1.0 1.8 6.50 8 4 A 22 GLN HA A 22 GLN HE22 1.0 1.8 6.50 9 5 A 56 TYR HDy A 55 LYS HA 1.0 1.8 5.46 10 5 A 56 TYR HDx A 55 LYS HA 1.0 1.8 5.46 11 6 A 53 MET HA A 60 TYR HEy 1.0 1.8 5.45 12 6 A 53 MET HA A 60 TYR HEx 1.0 1.8 5.45 13 7 A 24 LYS HA A 23 PHE HDy 1.0 1.8 6.19 14 7 A 23 PHE HDx A 24 LYS HA 1.0 1.8 6.19 15 8 A 19 CYS HA A 52 CYS HBy 1.0 1.8 5.89 16 9 A 60 TYR HEy A 56 TYR HBx 1.0 1.8 4.38 17 9 A 60 TYR HEx A 56 TYR HBx 1.0 1.8 4.38 18 10 A 45 GLN HE22 A 44 ASP HBy 1.0 1.8 6.38 19 10 A 44 ASP HBx A 45 GLN HE22 1.0 1.8 6.38 20 11 A 60 TYR HEy A 58 ASP HBx 1.0 1.8 7.00 21 11 A 60 TYR HEx A 58 ASP HBx 1.0 1.8 7.00 22 12 A 6 TRP HD1 A 24 LYS HEy 1.0 1.8 6.40 23 12 A 6 TRP HD1 A 24 LYS HEx 1.0 1.8 6.40 24 13 A 6 TRP HZ2 A 24 LYS HBy 1.0 1.8 5.29 25 14 A 22 GLN HE21 A 48 ALA HB1 1.0 1.8 6.68 26 15 A 6 TRP HE3 A 11 LEU HBx 1.0 1.8 5.54 27 16 A 6 TRP HE3 A 15 ALA HB1 1.0 1.8 5.62 28 17 A 56 TYR HA A 59 LEU HBy 1.0 1.8 5.65 29 18 A 6 TRP HD1 A 24 LYS HDx 1.0 1.8 6.32 30 19 A 24 LYS HDx A 6 TRP HZ3 1.0 1.8 5.28 31 20 A 6 TRP HZ3 A 11 LEU HG 1.0 1.8 5.12 32 21 A 23 PHE HEy A 11 LEU HG 1.0 1.8 5.14 33 21 A 23 PHE HEx A 11 LEU HG 1.0 1.8 5.14 34 22 A 56 TYR HEx A 59 LEU HD21 1.0 1.8 6.09 35 22 A 59 LEU HD21 A 56 TYR HEy 1.0 1.8 6.09 36 23 A 38 LYS HA A 30 PHE HDy 1.0 1.8 5.81 37 23 A 30 PHE HDx A 38 LYS HA 1.0 1.8 5.81 38 24 A 60 TYR HEy A 18 PRO HGx 1.0 1.8 4.64 39 24 A 60 TYR HEx A 18 PRO HGx 1.0 1.8 4.64 40 25 A 11 LEU HBx A 6 TRP HZ3 1.0 1.8 6.50 41 26 A 6 TRP HZ3 A 24 LYS HGy 1.0 1.8 6.31 42 27 A 23 PHE HDy A 6 TRP HZ3 1.0 1.8 6.55 43 27 A 23 PHE HDx A 6 TRP HZ3 1.0 1.8 6.55 44 28 A 6 TRP HD1 A 5 ASN HA 1.0 1.8 5.55 45 29 A 1 ASN HD21 A 3 ASN HBx 1.0 1.8 5.76 46 30 A 1 ASN HD21 A 3 ASN HBy 1.0 1.8 5.95 47 31 A 28 SER HBx A 32 TYR HDy 1.0 1.8 5.64 48 31 A 28 SER HBx A 32 TYR HDx 1.0 1.8 5.64 49 32 A 28 SER HA A 32 TYR HDy 1.0 1.8 5.05 50 32 A 28 SER HA A 32 TYR HDx 1.0 1.8 5.05 51 33 A 3 ASN HBy A 1 ASN HD22 1.0 1.8 5.98 52 34 A 3 ASN HD21 A 4 ILE HD11 1.0 1.8 7.68 53 35 A 45 GLN HE22 A 45 GLN HBx 1.0 1.8 6.06 54 36 A 15 ALA HB1 A 6 TRP HE1 1.0 1.8 7.71 55 37 A 6 TRP HE1 A 24 LYS HBx 1.0 1.8 6.50 56 38 A 24 LYS HGy A 6 TRP HE1 1.0 1.8 6.50 57 39 A 24 LYS HDx A 6 TRP HE1 1.0 1.8 6.50 58 40 A 32 TYR HDy A 31 HIS HA 1.0 1.8 6.57 59 40 A 32 TYR HDx A 31 HIS HA 1.0 1.8 6.57 60 41 A 6 TRP HD1 A 15 ALA HB1 1.0 1.8 6.22 61 42 A 6 TRP HZ2 A 28 SER HBy 1.0 1.8 6.42 62 43 A 30 PHE HDy A 46 PHE HEx 1.0 1.8 6.12 63 43 A 30 PHE HDy A 46 PHE HEy 1.0 1.8 6.12 64 43 A 30 PHE HDx A 46 PHE HEy 1.0 1.8 6.12 65 43 A 30 PHE HDx A 46 PHE HEx 1.0 1.8 6.12 66 44 A 11 LEU HD21 A 27 PHE HEy 1.0 1.8 8.24 67 44 A 11 LEU HD21 A 27 PHE HEx 1.0 1.8 8.24 68 45 A 28 SER HBx A 32 TYR HEy 1.0 1.8 5.94 69 45 A 28 SER HBx A 32 TYR HEx 1.0 1.8 5.94 70 46 A 56 TYR HEx A 55 LYS HEy 1.0 1.8 5.29 71 46 A 56 TYR HEy A 55 LYS HEx 1.0 1.8 5.29 72 46 A 56 TYR HEx A 55 LYS HEx 1.0 1.8 5.29 73 46 A 56 TYR HEy A 55 LYS HEy 1.0 1.8 5.29 74 47 A 22 GLN HA A 22 GLN HE21 1.0 1.8 5.79 75 48 A 22 GLN HE22 A 52 CYS HBx 1.0 1.8 6.50 76 49 A 22 GLN HE21 A 52 CYS HBx 1.0 1.8 6.06 77 50 A 22 GLN HE21 A 21 GLU HGy 1.0 1.8 6.50 78 51 A 56 TYR HA A 60 TYR HDy 1.0 1.8 7.02 79 51 A 56 TYR HA A 60 TYR HDx 1.0 1.8 7.02 80 52 A 6 TRP HZ3 A 11 LEU HBy 1.0 1.8 6.50 81 53 A 56 TYR HEy A 18 PRO HGx 1.0 1.8 7.23 82 53 A 56 TYR HEx A 18 PRO HGx 1.0 1.8 7.23 83 54 A 56 TYR HEy A 18 PRO HGy 1.0 1.8 6.13 84 54 A 56 TYR HEx A 18 PRO HGy 1.0 1.8 6.13 85 55 A 56 TYR HEy A 18 PRO HBx 1.0 1.8 4.77 86 55 A 56 TYR HEx A 18 PRO HBx 1.0 1.8 4.77 87 56 A 56 TYR HEy A 55 LYS HBx 1.0 1.8 5.58 88 56 A 56 TYR HEx A 55 LYS HBx 1.0 1.8 5.58 89 57 A 23 PHE HDy A 11 LEU HD21 1.0 1.8 8.59 90 57 A 23 PHE HDx A 11 LEU HD21 1.0 1.8 8.59 91 58 A 23 PHE HEy A 11 LEU HD21 1.0 1.8 6.81 92 58 A 23 PHE HEx A 11 LEU HD21 1.0 1.8 6.81 93 59 A 22 GLN HE22 A 21 GLU HBx 1.0 1.8 6.28 94 60 A 60 TYR HEy A 53 MET HGx 1.0 1.8 6.21 95 60 A 60 TYR HEx A 53 MET HGx 1.0 1.8 6.21 96 61 A 56 TYR HBx A 60 TYR HDy 1.0 1.8 4.64 97 61 A 56 TYR HBx A 60 TYR HDx 1.0 1.8 4.64 98 62 A 60 TYR HEy A 57 PRO HGx 1.0 1.8 8.06 99 62 A 60 TYR HEx A 57 PRO HGx 1.0 1.8 8.06 100 62 A 60 TYR HEy A 57 PRO HGy 1.0 1.8 8.06 101 62 A 60 TYR HEx A 57 PRO HGy 1.0 1.8 8.06 102 63 A 60 TYR HEy A 18 PRO HGy 1.0 1.8 5.62 103 63 A 60 TYR HEx A 18 PRO HGy 1.0 1.8 5.62 104 64 A 60 TYR HEy A 56 TYR HBy 1.0 1.8 4.78 105 64 A 60 TYR HEx A 56 TYR HBy 1.0 1.8 4.78 106 65 A 60 TYR HDy A 56 TYR HBy 1.0 1.8 5.66 107 65 A 60 TYR HDx A 56 TYR HBy 1.0 1.8 5.66 108 66 A 55 LYS HA A 56 TYR HEy 1.0 1.8 6.99 109 66 A 55 LYS HA A 56 TYR HEx 1.0 1.8 6.99 110 67 A 56 TYR HEy A 55 LYS HGx 1.0 1.8 6.99 111 67 A 56 TYR HEx A 55 LYS HGx 1.0 1.8 6.99 112 68 A 56 TYR HDy A 55 LYS HBx 1.0 1.8 5.05 113 68 A 56 TYR HDx A 55 LYS HBx 1.0 1.8 5.05 114 69 A 56 TYR HEx A 55 LYS HDy 1.0 1.8 7.22 115 69 A 56 TYR HEy A 55 LYS HDy 1.0 1.8 7.22 116 69 A 56 TYR HEy A 55 LYS HDx 1.0 1.8 7.22 117 69 A 56 TYR HEx A 55 LYS HDx 1.0 1.8 7.22 118 70 A 56 TYR HEy A 55 LYS HBy 1.0 1.8 4.52 119 70 A 56 TYR HEx A 55 LYS HBy 1.0 1.8 4.52 120 71 A 56 TYR HEy A 57 PRO HDy 1.0 1.8 7.13 121 71 A 56 TYR HEx A 57 PRO HDy 1.0 1.8 7.13 122 72 A 56 TYR HEy A 18 PRO HBy 1.0 1.8 5.03 123 72 A 56 TYR HEx A 18 PRO HBy 1.0 1.8 5.03 124 73 A 56 TYR HEy A 55 LYS HGy 1.0 1.8 7.02 125 73 A 56 TYR HEx A 55 LYS HGy 1.0 1.8 7.02 126 74 A 32 TYR HDy A 31 HIS HBy 1.0 1.8 7.23 127 74 A 32 TYR HDx A 31 HIS HBy 1.0 1.8 7.23 128 75 A 32 TYR HDy A 31 HIS HBx 1.0 1.8 6.93 129 75 A 32 TYR HDx A 31 HIS HBx 1.0 1.8 6.93 130 76 A 26 ALA HA A 46 PHE HDy 1.0 1.8 6.27 131 76 A 26 ALA HA A 46 PHE HDx 1.0 1.8 6.27 132 77 A 46 PHE HDy A 29 CYS HBx 1.0 1.8 6.19 133 77 A 46 PHE HDx A 29 CYS HBx 1.0 1.8 6.19 134 78 A 23 PHE HEx A 15 ALA HB1 1.0 1.8 6.61 135 78 A 23 PHE HEy A 15 ALA HB1 1.0 1.8 6.61 136 79 A 23 PHE HEy A 11 LEU HBy 1.0 1.8 5.81 137 79 A 23 PHE HEx A 11 LEU HBy 1.0 1.8 5.81 138 80 A 23 PHE HDy A 15 ALA HA 1.0 1.8 6.37 139 80 A 23 PHE HDx A 15 ALA HA 1.0 1.8 6.37 140 81 A 23 PHE HEy A 15 ALA HA 1.0 1.8 6.24 141 81 A 23 PHE HEx A 15 ALA HA 1.0 1.8 6.24 142 82 A 23 PHE HDy A 11 LEU HA 1.0 1.8 6.31 143 82 A 23 PHE HDx A 11 LEU HA 1.0 1.8 6.31 144 83 A 23 PHE HDy A 27 PHE HA 1.0 1.8 7.23 145 83 A 23 PHE HDx A 27 PHE HA 1.0 1.8 7.23 146 84 A 23 PHE HDy A 24 LYS HEy 1.0 1.8 8.06 147 84 A 23 PHE HDy A 24 LYS HEx 1.0 1.8 8.06 148 84 A 23 PHE HDx A 24 LYS HEy 1.0 1.8 8.06 149 84 A 23 PHE HDx A 24 LYS HEx 1.0 1.8 8.06 150 85 A 23 PHE HDy A 27 PHE HBx 1.0 1.8 7.23 151 85 A 23 PHE HDx A 27 PHE HBx 1.0 1.8 7.23 152 86 A 23 PHE HDy A 24 LYS HDx 1.0 1.8 6.79 153 86 A 23 PHE HDx A 24 LYS HDx 1.0 1.8 6.79 154 87 A 23 PHE HDy A 4 ILE HD11 1.0 1.8 8.59 155 87 A 23 PHE HDx A 4 ILE HD11 1.0 1.8 8.59 156 88 A 59 LEU HD11 A 60 TYR HA 1.0 1.8 5.45 157 89 A 56 TYR HDy A 55 LYS HBy 1.0 1.8 5.19 158 89 A 56 TYR HDx A 55 LYS HBy 1.0 1.8 5.19 159 90 A 56 TYR HDy A 18 PRO HBy 1.0 1.8 6.12 160 90 A 56 TYR HDx A 18 PRO HBy 1.0 1.8 6.12 161 91 A 22 GLN HE21 A 21 GLU HGx 1.0 1.8 6.50 162 92 A 6 TRP HE3 A 11 LEU HBy 1.0 1.8 6.50 163 93 A 28 SER HA A 6 TRP HZ2 1.0 1.8 5.42 164 94 A 6 TRP HZ2 A 28 SER HBx 1.0 1.8 5.09 165 95 A 6 TRP HH2 A 27 PHE HBy 1.0 1.8 6.09 166 96 A 6 TRP HZ3 A 11 LEU HA 1.0 1.8 6.50 167 97 A 6 TRP HZ3 A 27 PHE HBx 1.0 1.8 6.50 168 98 A 6 TRP HE3 A 4 ILE HG21 1.0 1.8 6.23 169 99 A 19 CYS HA A 52 CYS HBx 1.0 1.8 5.89 170 100 A 19 CYS HA A 22 GLN HGx 1.0 1.8 7.09 171 100 A 19 CYS HA A 22 GLN HGy 1.0 1.8 7.09 172 101 A 19 CYS HA A 53 MET HGx 1.0 1.8 6.50 173 102 A 19 CYS HA A 22 GLN HBy 1.0 1.8 5.32 174 103 A 18 PRO HA A 56 TYR HEy 1.0 1.8 5.57 175 103 A 18 PRO HA A 56 TYR HEx 1.0 1.8 5.57 176 104 A 60 TYR HEy A 17 GLY HAy 1.0 1.8 6.53 177 104 A 60 TYR HEx A 17 GLY HAy 1.0 1.8 6.53 178 105 A 46 PHE HEy A 38 LYS HGx 1.0 1.8 7.23 179 105 A 46 PHE HEx A 38 LYS HGx 1.0 1.8 7.23 180 106 A 55 LYS HBy A 54 GLN HE22 1.0 1.8 6.50 181 107 A 55 LYS HBx A 54 GLN HE22 1.0 1.8 6.50 182 108 A 59 LEU HD11 A 58 ASP HA 1.0 1.8 7.35 183 109 A 58 ASP HA A 59 LEU HA 1.0 1.8 5.73 184 110 A 21 GLU HA A 24 LYS HDy 1.0 1.8 6.50 185 111 A 24 LYS HEy A 6 TRP HBy 1.0 1.8 7.23 186 111 A 24 LYS HEx A 6 TRP HBy 1.0 1.8 7.23 187 112 A 57 PRO HGy A 58 ASP H 1.0 1.8 4.83 188 113 A 47 ARG HGx A 48 ALA HA 1.0 1.8 5.19 189 114 A 11 LEU HG A 4 ILE HG1y 1.0 1.8 6.35 190 115 A 11 LEU HG A 4 ILE HG21 1.0 1.8 5.46 191 116 A 59 LEU HD21 A 18 PRO HDy 1.0 1.8 6.54 192 117 A 59 LEU HD21 A 18 PRO HDx 1.0 1.8 5.89 193 118 A 59 LEU HD21 A 60 TYR HA 1.0 1.8 6.94 194 119 A 59 LEU HD11 A 59 LEU HA 1.0 1.8 6.20 195 120 A 34 THR HA A 34 THR HG21 1.0 1.8 5.03 196 121 A 17 GLY HAy A 18 PRO HDx 1.0 1.8 4.55 197 122 A 60 TYR HEy A 59 LEU HBy 1.0 1.8 7.23 198 122 A 60 TYR HEx A 59 LEU HBy 1.0 1.8 7.23 199 123 A 58 ASP HBx A 57 PRO HGy 1.0 1.8 6.50 200 124 A 25 SER HBx A 45 GLN HGx 1.0 1.8 5.50 201 125 A 3 ASN HA A 4 ILE HB 1.0 1.8 5.62 202 126 A 6 TRP HH2 A 4 ILE HD11 1.0 1.8 5.52 203 127 A 55 LYS HGy A 52 CYS HA 1.0 1.8 5.63 204 128 A 59 LEU HD11 A 17 GLY HAy 1.0 1.8 7.71 205 129 A 18 PRO HBy A 59 LEU HD11 1.0 1.8 7.68 206 130 A 18 PRO HBx A 59 LEU HD11 1.0 1.8 7.21 207 131 A 15 ALA HA A 20 GLY HAy 1.0 1.8 5.32 208 132 A 15 ALA HA A 20 GLY HAx 1.0 1.8 5.35 209 133 A 30 PHE HDy A 31 HIS HA 1.0 1.8 7.23 210 133 A 30 PHE HDx A 31 HIS HA 1.0 1.8 7.23 211 134 A 34 THR H A 35 GLU HA 1.0 1.8 6.50 212 135 A 30 PHE HDy A 39 GLY HAy 1.0 1.8 5.90 213 135 A 30 PHE HDx A 39 GLY HAy 1.0 1.8 5.90 214 136 A 30 PHE HDy A 39 GLY HAx 1.0 1.8 6.54 215 136 A 30 PHE HDx A 39 GLY HAx 1.0 1.8 6.54 216 137 A 41 ASP HA A 35 GLU HGy 1.0 1.8 6.84 217 137 A 35 GLU HGx A 41 ASP HA 1.0 1.8 6.84 218 138 A 41 ASP HA A 40 SER HBy 1.0 1.8 6.43 219 139 A 45 GLN HE22 A 45 GLN HBy 1.0 1.8 5.54 220 140 A 46 PHE H A 47 ARG HBy 1.0 1.8 7.23 221 140 A 46 PHE H A 47 ARG HBx 1.0 1.8 7.23 222 141 A 43 VAL HG21 A 47 ARG HGy 1.0 1.8 7.71 223 142 A 48 ALA HA A 51 GLU HGy 1.0 1.8 6.17 224 143 A 48 ALA HA A 52 CYS H 1.0 1.8 6.50 225 144 A 52 CYS HBy A 48 ALA HB1 1.0 1.8 6.17 226 145 A 48 ALA HB1 A 47 ARG HBx 1.0 1.8 6.20 227 145 A 48 ALA HB1 A 47 ARG HBy 1.0 1.8 6.20 228 146 A 48 ALA HB1 A 46 PHE H 1.0 1.8 6.19 229 147 A 52 CYS HBy A 51 GLU HGy 1.0 1.8 6.39 230 148 A 51 GLU H A 51 GLU HGx 1.0 1.8 5.18 231 149 A 52 CYS HA A 51 GLU HA 1.0 1.8 5.86 232 150 A 54 GLN HBx A 55 LYS H 1.0 1.8 5.87 233 151 A 54 GLN HBy A 54 GLN HE21 1.0 1.8 6.05 234 152 A 55 LYS HA A 55 LYS HDy 1.0 1.8 6.13 235 152 A 55 LYS HA A 55 LYS HDx 1.0 1.8 6.13 236 153 A 56 TYR HA A 57 PRO HGy 1.0 1.8 4.92 237 154 A 56 TYR HBx A 59 LEU HBy 1.0 1.8 5.97 238 155 A 56 TYR H A 57 PRO HA 1.0 1.8 5.74 239 156 A 56 TYR HDy A 57 PRO HDx 1.0 1.8 6.33 240 156 A 56 TYR HDx A 57 PRO HDx 1.0 1.8 6.33 241 157 A 59 LEU HD21 A 60 TYR H 1.0 1.8 6.67 242 158 A 60 TYR H A 59 LEU HG 1.0 1.8 5.99 243 159 A 59 LEU HG A 59 LEU H 1.0 1.8 5.15 244 160 A 56 TYR HDy A 57 PRO HDy 1.0 1.8 6.37 245 160 A 56 TYR HDx A 57 PRO HDy 1.0 1.8 6.37 246 161 A 58 ASP HBx A 60 TYR H 1.0 1.8 6.50 247 162 A 58 ASP HBx A 59 LEU HA 1.0 1.8 6.50 248 163 A 56 TYR H A 57 PRO HDx 1.0 1.8 5.29 249 164 A 56 TYR HDy A 57 PRO HGy 1.0 1.8 7.23 250 164 A 56 TYR HDx A 57 PRO HGy 1.0 1.8 7.23 251 165 A 56 TYR HDy A 57 PRO HGx 1.0 1.8 7.17 252 165 A 56 TYR HDx A 57 PRO HGx 1.0 1.8 7.17 253 166 A 56 TYR HA A 59 LEU HG 1.0 1.8 5.84 254 167 A 56 TYR HDy A 55 LYS HGy 1.0 1.8 7.23 255 167 A 56 TYR HDx A 55 LYS HGy 1.0 1.8 7.23 256 168 A 55 LYS HA A 54 GLN HBx 1.0 1.8 6.50 257 169 A 55 LYS HA A 54 GLN HBy 1.0 1.8 6.50 258 170 A 51 GLU HA A 54 GLN HBy 1.0 1.8 6.39 259 171 A 51 GLU HA A 54 GLN HBx 1.0 1.8 5.19 260 172 A 55 LYS H A 54 GLN HBy 1.0 1.8 5.71 261 173 A 54 GLN HBx A 53 MET H 1.0 1.8 6.10 262 174 A 51 GLU HA A 54 GLN HGy 1.0 1.8 5.69 263 175 A 53 MET H A 53 MET HGy 1.0 1.8 5.97 264 176 A 52 CYS HA A 55 LYS H 1.0 1.8 5.23 265 177 A 55 LYS HGx A 52 CYS HA 1.0 1.8 5.68 266 178 A 53 MET HA A 52 CYS HBx 1.0 1.8 6.09 267 179 A 53 MET HA A 52 CYS HBy 1.0 1.8 6.27 268 180 A 6 TRP HE3 A 24 LYS HDy 1.0 1.8 6.50 269 181 A 28 SER HA A 32 TYR HEy 1.0 1.8 6.49 270 181 A 28 SER HA A 32 TYR HEx 1.0 1.8 6.49 271 182 A 48 ALA HB1 A 47 ARG H 1.0 1.8 7.71 272 183 A 52 CYS HA A 53 MET HBx 1.0 1.8 6.50 273 184 A 45 GLN HBx A 29 CYS HBx 1.0 1.8 6.50 274 185 A 58 ASP HBx A 59 LEU HBy 1.0 1.8 6.44 275 186 A 59 LEU HBy A 58 ASP HBy 1.0 1.8 6.39 276 187 A 47 ARG H A 43 VAL HG11 1.0 1.8 7.07 277 188 A 43 VAL HG11 A 45 GLN H 1.0 1.8 7.27 278 189 A 43 VAL HG21 A 47 ARG H 1.0 1.8 7.71 279 190 A 43 VAL HG21 A 45 GLN H 1.0 1.8 7.71 280 191 A 46 PHE HDy A 43 VAL HG21 1.0 1.8 8.59 281 191 A 46 PHE HDx A 43 VAL HG21 1.0 1.8 8.59 282 192 A 46 PHE HDy A 43 VAL HG11 1.0 1.8 7.32 283 192 A 46 PHE HDx A 43 VAL HG11 1.0 1.8 7.32 284 193 A 43 VAL HG11 A 42 CYS HA 1.0 1.8 7.71 285 194 A 43 VAL HG21 A 47 ARG HA 1.0 1.8 7.71 286 195 A 42 CYS HA A 43 VAL HA 1.0 1.8 6.50 287 196 A 47 ARG H A 43 VAL HA 1.0 1.8 6.50 288 197 A 45 GLN H A 42 CYS HA 1.0 1.8 5.27 289 198 A 42 CYS HA A 44 ASP H 1.0 1.8 5.51 290 199 A 42 CYS HA A 45 GLN HE21 1.0 1.8 4.92 291 200 A 35 GLU HGy A 41 ASP HBx 1.0 1.8 6.52 292 200 A 35 GLU HGx A 41 ASP HBx 1.0 1.8 6.52 293 201 A 35 GLU HGy A 41 ASP HBy 1.0 1.8 6.44 294 201 A 35 GLU HGx A 41 ASP HBy 1.0 1.8 6.44 295 202 A 41 ASP HBy A 35 GLU HBx 1.0 1.8 5.78 296 203 A 40 SER HBy A 37 ILE HG21 1.0 1.8 5.87 297 204 A 43 VAL HG11 A 40 SER HA 1.0 1.8 7.20 298 205 A 43 VAL HG21 A 40 SER HA 1.0 1.8 7.38 299 206 A 37 ILE HG21 A 40 SER HA 1.0 1.8 7.71 300 207 A 40 SER HA A 39 GLY H 1.0 1.8 6.50 301 208 A 46 PHE HEy A 39 GLY HAx 1.0 1.8 7.23 302 208 A 46 PHE HEx A 39 GLY HAx 1.0 1.8 7.23 303 209 A 38 LYS HA A 30 PHE HEy 1.0 1.8 6.91 304 209 A 38 LYS HA A 30 PHE HEx 1.0 1.8 6.91 305 210 A 37 ILE HA A 38 LYS HBx 1.0 1.8 6.00 306 211 A 46 PHE HDy A 38 LYS HGy 1.0 1.8 7.23 307 211 A 46 PHE HDx A 38 LYS HGy 1.0 1.8 7.23 308 212 A 30 PHE HEy A 38 LYS HDy 1.0 1.8 6.59 309 212 A 30 PHE HEx A 38 LYS HDy 1.0 1.8 6.59 310 213 A 30 PHE HEy A 38 LYS HDx 1.0 1.8 6.77 311 213 A 30 PHE HEx A 38 LYS HDx 1.0 1.8 6.77 312 214 A 38 LYS HDy A 30 PHE HZ 1.0 1.8 5.99 313 215 A 30 PHE HZ A 38 LYS HEy 1.0 1.8 5.89 314 216 A 30 PHE HDy A 38 LYS HEy 1.0 1.8 7.22 315 216 A 30 PHE HDx A 38 LYS HEy 1.0 1.8 7.22 316 217 A 30 PHE HDy A 38 LYS HEx 1.0 1.8 6.80 317 217 A 30 PHE HDx A 38 LYS HEx 1.0 1.8 6.80 318 218 A 30 PHE HZ A 38 LYS HEx 1.0 1.8 6.12 319 219 A 35 GLU HA A 37 ILE H 1.0 1.8 6.06 320 220 A 31 HIS H A 33 SER HBx 1.0 1.8 6.27 321 221 A 33 SER HBx A 30 PHE H 1.0 1.8 6.34 322 222 A 31 HIS H A 33 SER HBy 1.0 1.8 6.30 323 223 A 32 TYR HBy A 33 SER H 1.0 1.8 5.82 324 224 A 33 SER H A 32 TYR HBx 1.0 1.8 6.33 325 225 A 31 HIS HBy A 32 TYR H 1.0 1.8 6.50 326 226 A 31 HIS HBx A 32 TYR H 1.0 1.8 6.50 327 227 A 4 ILE HD11 A 31 HIS HBx 1.0 1.8 6.43 328 228 A 4 ILE HD11 A 31 HIS HA 1.0 1.8 7.50 329 229 A 33 SER HBy A 30 PHE HBx 1.0 1.8 6.50 330 230 A 38 LYS HDy A 30 PHE HBy 1.0 1.8 5.79 331 231 A 38 LYS HDy A 30 PHE HBx 1.0 1.8 6.50 332 232 A 33 SER H A 30 PHE HA 1.0 1.8 5.56 333 233 A 26 ALA HA A 29 CYS HBy 1.0 1.8 5.42 334 234 A 45 GLN HGx A 29 CYS HBy 1.0 1.8 6.50 335 235 A 52 CYS HBx A 22 GLN HGy 1.0 1.8 5.86 336 236 A 29 CYS HBx A 45 GLN HGx 1.0 1.8 5.56 337 237 A 45 GLN HBx A 29 CYS HBy 1.0 1.8 6.37 338 238 A 26 ALA HA A 29 CYS HBx 1.0 1.8 5.88 339 239 A 29 CYS HBx A 30 PHE H 1.0 1.8 5.65 340 240 A 30 PHE H A 29 CYS HBy 1.0 1.8 6.31 341 241 A 31 HIS H A 29 CYS HBy 1.0 1.8 6.50 342 242 A 29 CYS HBx A 31 HIS H 1.0 1.8 6.24 343 243 A 32 TYR HBx A 29 CYS HA 1.0 1.8 6.50 344 244 A 28 SER HA A 4 ILE HG21 1.0 1.8 7.71 345 245 A 28 SER HA A 30 PHE H 1.0 1.8 5.75 346 246 A 32 TYR HDx A 28 SER HBy 1.0 1.8 8.06 347 246 A 32 TYR HDy A 28 SER HBy 1.0 1.8 8.06 348 246 A 28 SER HBx A 32 TYR HDy 1.0 1.8 8.06 349 246 A 28 SER HBx A 32 TYR HDx 1.0 1.8 8.06 350 247 A 28 SER HBy A 29 CYS H 1.0 1.8 6.82 351 247 A 28 SER HBx A 29 CYS H 1.0 1.8 6.82 352 248 A 27 PHE HDy A 28 SER HBx 1.0 1.8 8.06 353 248 A 27 PHE HDy A 28 SER HBy 1.0 1.8 8.06 354 248 A 27 PHE HDx A 28 SER HBy 1.0 1.8 8.06 355 248 A 27 PHE HDx A 28 SER HBx 1.0 1.8 8.06 356 249 A 27 PHE HA A 30 PHE HBx 1.0 1.8 5.72 357 250 A 27 PHE HA A 30 PHE H 1.0 1.8 5.83 358 251 A 26 ALA HA A 45 GLN H 1.0 1.8 6.50 359 252 A 26 ALA HA A 42 CYS HBx 1.0 1.8 6.40 360 253 A 45 GLN HBx A 26 ALA HA 1.0 1.8 4.89 361 254 A 26 ALA HA A 45 GLN HBy 1.0 1.8 4.26 362 255 A 46 PHE HEy A 26 ALA HA 1.0 1.8 6.30 363 255 A 46 PHE HEx A 26 ALA HA 1.0 1.8 6.30 364 256 A 25 SER HBx A 24 LYS H 1.0 1.8 6.38 365 257 A 24 LYS H A 25 SER HBy 1.0 1.8 5.99 366 258 A 24 LYS HBy A 25 SER HBx 1.0 1.8 5.95 367 259 A 24 LYS HBx A 25 SER HBy 1.0 1.8 5.92 368 260 A 24 LYS HBy A 25 SER HBy 1.0 1.8 6.32 369 261 A 45 GLN HBx A 25 SER HBy 1.0 1.8 5.83 370 262 A 21 GLU HGy A 25 SER HBy 1.0 1.8 6.50 371 263 A 45 GLN HBx A 25 SER HBx 1.0 1.8 6.06 372 264 A 24 LYS HBx A 25 SER HBx 1.0 1.8 6.47 373 265 A 25 SER HBy A 45 GLN HGy 1.0 1.8 6.50 374 266 A 25 SER HBx A 45 GLN HGy 1.0 1.8 5.69 375 267 A 25 SER HA A 28 SER H 1.0 1.8 5.40 376 268 A 24 LYS HBx A 25 SER HA 1.0 1.8 6.00 377 269 A 33 SER HA A 35 GLU H 1.0 1.8 5.67 378 270 A 24 LYS HBy A 21 GLU HA 1.0 1.8 5.00 379 271 A 24 LYS HBx A 21 GLU HA 1.0 1.8 5.52 380 272 A 24 LYS HBx A 21 GLU HBy 1.0 1.8 6.47 381 273 A 24 LYS HEy A 6 TRP HBx 1.0 1.8 6.82 382 273 A 24 LYS HEx A 6 TRP HBx 1.0 1.8 6.82 383 274 A 24 LYS HEy A 6 TRP HE3 1.0 1.8 6.39 384 274 A 24 LYS HEx A 6 TRP HE3 1.0 1.8 6.39 385 275 A 24 LYS HEy A 6 TRP HZ2 1.0 1.8 6.89 386 275 A 24 LYS HEx A 6 TRP HZ2 1.0 1.8 6.89 387 276 A 24 LYS HEx A 4 ILE HG21 1.0 1.8 8.26 388 276 A 24 LYS HEy A 4 ILE HG21 1.0 1.8 8.26 389 277 A 24 LYS HEy A 23 PHE HBx 1.0 1.8 7.23 390 277 A 24 LYS HEx A 23 PHE HBx 1.0 1.8 7.23 391 278 A 15 ALA HA A 23 PHE HBx 1.0 1.8 5.78 392 279 A 15 ALA HA A 23 PHE HBy 1.0 1.8 5.44 393 280 A 20 GLY HAy A 23 PHE HBx 1.0 1.8 6.02 394 281 A 23 PHE HDy A 23 PHE HA 1.0 1.8 4.77 395 281 A 23 PHE HDx A 23 PHE HA 1.0 1.8 4.77 396 282 A 23 PHE HA A 25 SER H 1.0 1.8 6.50 397 283 A 23 PHE HA A 26 ALA HB1 1.0 1.8 7.02 398 284 A 48 ALA HB1 A 22 GLN HGy 1.0 1.8 6.05 399 285 A 48 ALA HB1 A 22 GLN HGx 1.0 1.8 6.06 400 286 A 52 CYS HBy A 22 GLN HGx 1.0 1.8 5.53 401 287 A 52 CYS HBy A 22 GLN HGy 1.0 1.8 5.55 402 288 A 22 GLN HBx A 49 MET HA 1.0 1.8 5.04 403 289 A 22 GLN HE21 A 22 GLN HGx 1.0 1.8 4.58 404 290 A 29 CYS HBy A 45 GLN HGy 1.0 1.8 5.57 405 291 A 15 ALA HB1 A 20 GLY HAy 1.0 1.8 6.16 406 292 A 21 GLU HGy A 20 GLY HAy 1.0 1.8 6.50 407 293 A 20 GLY HAx A 23 PHE HBy 1.0 1.8 6.36 408 294 A 23 PHE HDy A 20 GLY HAy 1.0 1.8 7.13 409 294 A 23 PHE HDx A 20 GLY HAy 1.0 1.8 7.13 410 295 A 22 GLN HGy A 19 CYS HBy 1.0 1.8 5.84 411 296 A 19 CYS HA A 20 GLY HAy 1.0 1.8 6.50 412 297 A 19 CYS HA A 22 GLN HGx 1.0 1.8 5.60 413 298 A 18 PRO HGx A 60 TYR HDy 1.0 1.8 5.23 414 298 A 18 PRO HGx A 60 TYR HDx 1.0 1.8 5.23 415 299 A 18 PRO HGx A 60 TYR HBx 1.0 1.8 5.44 416 300 A 18 PRO HGy A 60 TYR HBx 1.0 1.8 6.38 417 301 A 60 TYR HEy A 18 PRO HBx 1.0 1.8 7.20 418 301 A 60 TYR HEx A 18 PRO HBx 1.0 1.8 7.20 419 302 A 60 TYR HDy A 18 PRO HBx 1.0 1.8 6.19 420 302 A 60 TYR HDx A 18 PRO HBx 1.0 1.8 6.19 421 303 A 60 TYR HDy A 18 PRO HBy 1.0 1.8 7.23 422 303 A 60 TYR HDx A 18 PRO HBy 1.0 1.8 7.23 423 304 A 18 PRO HDy A 17 GLY HAx 1.0 1.8 4.52 424 305 A 17 GLY HAy A 18 PRO HDy 1.0 1.8 4.50 425 306 A 18 PRO HGx A 17 GLY HAy 1.0 1.8 6.50 426 307 A 59 LEU HD11 A 17 GLY HAx 1.0 1.8 7.71 427 308 A 17 GLY HAy A 16 SER HBy 1.0 1.8 5.32 428 308 A 17 GLY HAy A 16 SER HBx 1.0 1.8 5.32 429 309 A 17 GLY HAx A 16 SER HBy 1.0 1.8 5.43 430 309 A 17 GLY HAx A 16 SER HBx 1.0 1.8 5.43 431 310 A 16 SER HBy A 15 ALA H 1.0 1.8 6.53 432 310 A 16 SER HBx A 15 ALA H 1.0 1.8 6.53 433 311 A 15 ALA HB1 A 16 SER HBx 1.0 1.8 8.52 434 311 A 15 ALA HB1 A 16 SER HBy 1.0 1.8 8.52 435 312 A 20 GLY HAy A 16 SER HA 1.0 1.8 6.50 436 313 A 20 GLY HAx A 16 SER HA 1.0 1.8 6.50 437 314 A 15 ALA HB1 A 24 LYS H 1.0 1.8 5.22 438 315 A 24 LYS HGy A 15 ALA HA 1.0 1.8 6.50 439 316 A 15 ALA H A 12 GLY HAx 1.0 1.8 6.36 440 317 A 12 GLY HAx A 11 LEU H 1.0 1.8 6.03 441 318 A 12 GLY HAx A 14 MET H 1.0 1.8 6.16 442 319 A 15 ALA H A 12 GLY HAy 1.0 1.8 5.82 443 320 A 11 LEU HD11 A 23 PHE HZ 1.0 1.8 7.01 444 321 A 23 PHE HDx A 11 LEU HD11 1.0 1.8 7.46 445 321 A 23 PHE HDy A 11 LEU HD11 1.0 1.8 7.46 446 322 A 23 PHE HEx A 11 LEU HD11 1.0 1.8 7.52 447 322 A 23 PHE HEy A 11 LEU HD11 1.0 1.8 7.52 448 323 A 6 TRP HZ3 A 11 LEU HD11 1.0 1.8 6.10 449 324 A 4 ILE HG1y A 11 LEU HD11 1.0 1.8 6.53 450 325 A 15 ALA HB1 A 11 LEU HD11 1.0 1.8 7.11 451 326 A 15 ALA HB1 A 11 LEU HG 1.0 1.8 6.56 452 327 A 23 PHE HDy A 11 LEU HG 1.0 1.8 6.56 453 327 A 23 PHE HDx A 11 LEU HG 1.0 1.8 6.56 454 328 A 11 LEU HG A 27 PHE HEy 1.0 1.8 6.44 455 328 A 11 LEU HG A 27 PHE HEx 1.0 1.8 6.44 456 329 A 48 ALA HB1 A 52 CYS HBx 1.0 1.8 6.02 457 330 A 6 TRP HA A 7 ASN HBx 1.0 1.8 6.07 458 331 A 15 ALA HB1 A 6 TRP HBx 1.0 1.8 7.41 459 332 A 5 ASN HA A 6 TRP HBx 1.0 1.8 6.50 460 333 A 5 ASN HA A 5 ASN HD21 1.0 1.8 6.50 461 334 A 4 ILE HG21 A 5 ASN HBy 1.0 1.8 7.71 462 335 A 4 ILE HG21 A 5 ASN HBx 1.0 1.8 7.71 463 336 A 28 SER HA A 4 ILE HD11 1.0 1.8 6.55 464 337 A 4 ILE HD11 A 28 SER H 1.0 1.8 7.15 465 338 A 4 ILE HG1x A 5 ASN H 1.0 1.8 6.50 466 339 A 6 TRP HZ2 A 4 ILE HG21 1.0 1.8 6.26 467 340 A 6 TRP HH2 A 4 ILE HG21 1.0 1.8 6.53 468 341 A 3 ASN HD21 A 4 ILE HG21 1.0 1.8 7.71 469 342 A 6 TRP HH2 A 4 ILE HB 1.0 1.8 6.50 470 343 A 6 TRP HZ2 A 4 ILE HB 1.0 1.8 6.50 471 344 A 4 ILE HB A 5 ASN H 1.0 1.8 6.16 472 345 A 4 ILE HD11 A 6 TRP HE1 1.0 1.8 7.71 473 346 A 6 TRP HE1 A 4 ILE HB 1.0 1.8 6.50 474 347 A 3 ASN HA A 2 GLY HAy 1.0 1.8 6.50 475 348 A 3 ASN HA A 2 GLY HAx 1.0 1.8 6.50 476 349 A 3 ASN HBy A 4 ILE HB 1.0 1.8 6.50 477 350 A 3 ASN HBy A 4 ILE HG21 1.0 1.8 7.71 478 351 A 1 ASN HD21 A 1 ASN HA 1.0 1.8 6.39 479 352 A 6 TRP HD1 A 6 TRP HA 1.0 1.8 5.40 480 353 A 6 TRP HZ2 A 4 ILE HD11 1.0 1.8 5.66 481 354 A 6 TRP HZ3 A 4 ILE HD11 1.0 1.8 5.30 482 355 A 27 PHE HBx A 4 ILE HB 1.0 1.8 6.50 483 356 A 4 ILE HB A 6 TRP HA 1.0 1.8 6.50 484 357 A 2 GLY HAy A 1 ASN HA 1.0 1.8 6.03 485 358 A 2 GLY HAx A 1 ASN HA 1.0 1.8 6.50 486 359 A 46 PHE HBy A 50 GLN H 1.0 1.8 5.71 487 360 A 47 ARG H A 46 PHE HBx 1.0 1.8 5.91 488 361 A 6 TRP HE3 A 4 ILE HD11 1.0 1.8 7.65 489 362 A 53 MET HA A 52 CYS H 1.0 1.8 5.53 490 363 A 57 PRO HA A 59 LEU H 1.0 1.8 5.74 491 364 A 56 TYR HEx A 59 LEU HD11 1.0 1.8 8.29 492 364 A 56 TYR HEy A 59 LEU HD11 1.0 1.8 8.29 493 365 A 60 TYR HEy A 59 LEU HG 1.0 1.8 6.61 494 365 A 60 TYR HEx A 59 LEU HG 1.0 1.8 6.61 495 366 A 56 TYR HEy A 59 LEU HG 1.0 1.8 6.88 496 366 A 56 TYR HEx A 59 LEU HG 1.0 1.8 6.88 497 367 A 18 PRO HBx A 20 GLY H 1.0 1.8 6.50 498 368 A 21 GLU HBx A 20 GLY H 1.0 1.8 6.50 499 369 A 1 ASN HBy A 2 GLY H 1.0 1.8 4.81 500 370 A 3 ASN HBy A 3 ASN H 1.0 1.8 4.97 501 371 A 3 ASN HBx A 2 GLY H 1.0 1.8 5.85 502 372 A 1 ASN HBy A 3 ASN H 1.0 1.8 4.93 503 373 A 1 ASN HA A 3 ASN H 1.0 1.8 5.61 504 374 A 1 ASN HD21 A 3 ASN H 1.0 1.8 5.27 505 375 A 3 ASN H A 3 ASN HD22 1.0 1.8 6.00 506 376 A 3 ASN HD21 A 3 ASN H 1.0 1.8 6.50 507 377 A 1 ASN HD21 A 3 ASN HD21 1.0 1.8 6.50 508 378 A 1 ASN HD22 A 3 ASN HD21 1.0 1.8 6.50 509 379 A 3 ASN HBy A 3 ASN HD21 1.0 1.8 4.10 510 380 A 4 ILE HB A 3 ASN HD22 1.0 1.8 6.02 511 381 A 3 ASN HBx A 3 ASN HD22 1.0 1.8 4.52 512 382 A 3 ASN HBy A 3 ASN HD22 1.0 1.8 4.83 513 383 A 3 ASN HBx A 4 ILE H 1.0 1.8 4.50 514 384 A 3 ASN HBy A 4 ILE H 1.0 1.8 4.93 515 385 A 4 ILE HB A 5 ASN H 1.0 1.8 4.98 516 386 A 4 ILE HG1x A 5 ASN H 1.0 1.8 5.56 517 387 A 5 ASN H A 6 TRP H 1.0 1.8 5.28 518 388 A 4 ILE HB A 6 TRP H 1.0 1.8 5.49 519 389 A 7 ASN HBx A 6 TRP H 1.0 1.8 5.63 520 390 A 15 ALA HB1 A 7 ASN H 1.0 1.8 7.71 521 391 A 12 GLY H A 13 GLY H 1.0 1.8 5.28 522 392 A 11 LEU HG A 12 GLY H 1.0 1.8 5.80 523 393 A 11 LEU HBy A 14 MET H 1.0 1.8 6.23 524 394 A 11 LEU HBx A 14 MET H 1.0 1.8 6.33 525 395 A 16 SER HBx A 16 SER H 1.0 1.8 3.36 526 396 A 16 SER HBx A 17 GLY H 1.0 1.8 5.35 527 397 A 17 GLY HAx A 19 CYS H 1.0 1.8 5.62 528 398 A 18 PRO HDy A 19 CYS H 1.0 1.8 5.09 529 399 A 19 CYS HBy A 20 GLY H 1.0 1.8 5.92 530 400 A 20 GLY H A 19 CYS H 1.0 1.8 3.87 531 401 A 19 CYS HBy A 21 GLU H 1.0 1.8 6.50 532 402 A 24 LYS HGy A 21 GLU H 1.0 1.8 6.15 533 403 A 19 CYS HA A 21 GLU H 1.0 1.8 4.77 534 404 A 20 GLY H A 21 GLU H 1.0 1.8 3.90 535 405 A 22 GLN HGy A 21 GLU H 1.0 1.8 5.16 536 406 A 22 GLN HBx A 22 GLN H 1.0 1.8 4.13 537 407 A 22 GLN HE21 A 22 GLN HBx 1.0 1.8 5.06 538 408 A 22 GLN HA A 22 GLN HE22 1.0 1.8 6.50 539 409 A 22 GLN HE22 A 22 GLN HBx 1.0 1.8 6.41 540 410 A 22 GLN HBx A 23 PHE H 1.0 1.8 5.00 541 411 A 22 GLN HGx A 23 PHE H 1.0 1.8 5.41 542 412 A 24 LYS H A 23 PHE HBx 1.0 1.8 5.26 543 413 A 24 LYS H A 24 LYS HGx 1.0 1.8 4.49 544 414 A 24 LYS HBx A 24 LYS H 1.0 1.8 4.72 545 415 A 24 LYS H A 25 SER H 1.0 1.8 4.16 546 416 A 25 SER H A 24 LYS HGx 1.0 1.8 5.37 547 417 A 25 SER H A 22 GLN H 1.0 1.8 6.50 548 418 A 23 PHE HDy A 27 PHE H 1.0 1.8 7.08 549 418 A 23 PHE HDx A 27 PHE H 1.0 1.8 7.08 550 419 A 27 PHE H A 26 ALA H 1.0 1.8 4.50 551 420 A 24 LYS HA A 28 SER H 1.0 1.8 5.48 552 421 A 28 SER HBy A 29 CYS H 1.0 1.8 4.33 553 421 A 28 SER HBx A 29 CYS H 1.0 1.8 4.33 554 422 A 29 CYS HBx A 31 HIS H 1.0 1.8 6.19 555 423 A 27 PHE HA A 31 HIS H 1.0 1.8 6.50 556 424 A 28 SER HBy A 31 HIS H 1.0 1.8 6.57 557 424 A 28 SER HBx A 31 HIS H 1.0 1.8 6.57 558 425 A 31 HIS H A 29 CYS HA 1.0 1.8 6.25 559 426 A 33 SER HBx A 32 TYR H 1.0 1.8 6.50 560 427 A 31 HIS HA A 33 SER H 1.0 1.8 6.37 561 428 A 32 TYR HBy A 33 SER H 1.0 1.8 4.31 562 429 A 4 ILE HD11 A 32 TYR H 1.0 1.8 7.30 563 430 A 34 THR HG21 A 33 SER H 1.0 1.8 5.35 564 431 A 31 HIS HA A 34 THR H 1.0 1.8 4.91 565 432 A 34 THR H A 36 GLU H 1.0 1.8 6.07 566 433 A 33 SER HBx A 35 GLU H 1.0 1.8 5.13 567 434 A 35 GLU HBx A 36 GLU H 1.0 1.8 4.13 568 435 A 38 LYS HA A 37 ILE H 1.0 1.8 5.77 569 436 A 37 ILE H A 35 GLU H 1.0 1.8 5.32 570 437 A 37 ILE H A 36 GLU H 1.0 1.8 4.80 571 438 A 39 GLY H A 38 LYS H 1.0 1.8 5.60 572 439 A 39 GLY H A 38 LYS HBx 1.0 1.8 6.13 573 440 A 39 GLY H A 40 SER H 1.0 1.8 4.37 574 441 A 39 GLY H A 41 ASP H 1.0 1.8 5.59 575 442 A 35 GLU HBx A 40 SER H 1.0 1.8 6.09 576 443 A 40 SER H A 41 ASP H 1.0 1.8 4.52 577 444 A 41 ASP H A 40 SER HBx 1.0 1.8 5.02 578 445 A 39 GLY HAy A 41 ASP H 1.0 1.8 5.42 579 446 A 39 GLY HAy A 42 CYS H 1.0 1.8 6.05 580 447 A 43 VAL HG21 A 42 CYS H 1.0 1.8 6.95 581 448 A 42 CYS HBy A 43 VAL H 1.0 1.8 5.46 582 449 A 46 PHE HDy A 43 VAL H 1.0 1.8 6.00 583 449 A 46 PHE HDx A 43 VAL H 1.0 1.8 6.00 584 450 A 43 VAL HG21 A 45 GLN H 1.0 1.8 6.86 585 451 A 45 GLN HE22 A 45 GLN HA 1.0 1.8 5.50 586 452 A 45 GLN HE22 A 29 CYS HBy 1.0 1.8 5.21 587 453 A 46 PHE H A 45 GLN H 1.0 1.8 4.72 588 454 A 45 GLN HBx A 46 PHE H 1.0 1.8 5.04 589 455 A 46 PHE H A 47 ARG H 1.0 1.8 4.62 590 456 A 44 ASP HBy A 48 ALA H 1.0 1.8 6.59 591 456 A 44 ASP HBx A 48 ALA H 1.0 1.8 6.59 592 457 A 45 GLN HA A 48 ALA H 1.0 1.8 5.84 593 458 A 46 PHE H A 48 ALA H 1.0 1.8 5.09 594 459 A 47 ARG HBy A 49 MET H 1.0 1.8 7.03 595 459 A 47 ARG HBx A 49 MET H 1.0 1.8 7.03 596 460 A 48 ALA H A 49 MET H 1.0 1.8 4.38 597 461 A 50 GLN H A 49 MET HBy 1.0 1.8 5.62 598 461 A 50 GLN H A 49 MET HBx 1.0 1.8 5.62 599 462 A 49 MET HA A 50 GLN H 1.0 1.8 4.05 600 463 A 48 ALA HB1 A 51 GLU H 1.0 1.8 7.71 601 464 A 55 LYS HGy A 54 GLN H 1.0 1.8 6.50 602 465 A 52 CYS HA A 54 GLN H 1.0 1.8 5.08 603 466 A 53 MET H A 54 GLN H 1.0 1.8 3.79 604 467 A 54 GLN HBy A 54 GLN HE21 1.0 1.8 5.07 605 468 A 52 CYS HA A 55 LYS H 1.0 1.8 4.53 606 469 A 56 TYR H A 54 GLN H 1.0 1.8 6.44 607 470 A 55 LYS HGy A 56 TYR H 1.0 1.8 5.65 608 471 A 55 LYS HBx A 56 TYR H 1.0 1.8 4.52 609 472 A 55 LYS HGx A 56 TYR H 1.0 1.8 5.93 610 473 A 59 LEU HD11 A 56 TYR H 1.0 1.8 6.91 611 474 A 59 LEU HBy A 58 ASP H 1.0 1.8 6.12 612 475 A 59 LEU HA A 58 ASP H 1.0 1.8 5.36 613 476 A 57 PRO HA A 59 LEU H 1.0 1.8 6.28 614 477 A 58 ASP HBx A 59 LEU H 1.0 1.8 5.73 615 478 A 59 LEU H A 58 ASP HBy 1.0 1.8 5.58 616 479 A 59 LEU H A 60 TYR HBy 1.0 1.8 6.50 617 480 A 60 TYR HEy A 59 LEU H 1.0 1.8 5.84 618 480 A 60 TYR HEx A 59 LEU H 1.0 1.8 5.84 619 481 A 59 LEU HBy A 60 TYR H 1.0 1.8 6.24 620 482 A 58 ASP H A 60 TYR H 1.0 1.8 5.45 621 483 A 1 ASN HD21 A 3 ASN HBx 1.0 1.8 5.31 622 484 A 2 GLY H A 1 ASN HBx 1.0 1.8 5.92 623 485 A 5 ASN H A 5 ASN HD22 1.0 1.8 6.45 624 486 A 11 LEU HG A 11 LEU H 1.0 1.8 5.48 625 487 A 11 LEU H A 11 LEU HD11 1.0 1.8 6.37 626 488 A 11 LEU HD11 A 12 GLY H 1.0 1.8 7.71 627 489 A 15 ALA H A 16 SER H 1.0 1.8 3.74 628 490 A 18 PRO HGx A 20 GLY H 1.0 1.8 6.50 629 491 A 19 CYS H A 21 GLU H 1.0 1.8 6.32 630 492 A 21 GLU HBx A 23 PHE H 1.0 1.8 6.50 631 493 A 20 GLY HAx A 23 PHE H 1.0 1.8 6.50 632 494 A 22 GLN HE21 A 22 GLN HBy 1.0 1.8 5.82 633 495 A 24 LYS HDx A 24 LYS H 1.0 1.8 5.18 634 496 A 24 LYS HDy A 24 LYS H 1.0 1.8 5.36 635 497 A 22 GLN HA A 24 LYS H 1.0 1.8 5.48 636 498 A 24 LYS H A 22 GLN H 1.0 1.8 5.43 637 499 A 24 LYS HA A 27 PHE H 1.0 1.8 6.50 638 500 A 29 CYS HBx A 28 SER H 1.0 1.8 6.50 639 501 A 26 ALA HA A 29 CYS H 1.0 1.8 4.66 640 502 A 27 PHE HA A 29 CYS H 1.0 1.8 5.43 641 503 A 27 PHE HA A 30 PHE H 1.0 1.8 5.04 642 504 A 28 SER HBy A 30 PHE H 1.0 1.8 7.23 643 504 A 28 SER HBx A 30 PHE H 1.0 1.8 7.23 644 505 A 28 SER HA A 30 PHE H 1.0 1.8 5.25 645 506 A 31 HIS H A 33 SER H 1.0 1.8 6.20 646 507 A 31 HIS H A 30 PHE HBy 1.0 1.8 5.43 647 508 A 32 TYR H A 29 CYS H 1.0 1.8 5.88 648 509 A 32 TYR H A 29 CYS HA 1.0 1.8 4.87 649 510 A 34 THR H A 35 GLU HGy 1.0 1.8 7.23 650 510 A 34 THR H A 35 GLU HGx 1.0 1.8 7.23 651 511 A 39 GLY H A 35 GLU H 1.0 1.8 6.38 652 512 A 39 GLY H A 33 SER HBx 1.0 1.8 5.90 653 513 A 35 GLU HBx A 39 GLY H 1.0 1.8 6.50 654 514 A 40 SER H A 42 CYS H 1.0 1.8 6.20 655 515 A 40 SER H A 37 ILE HB 1.0 1.8 5.96 656 516 A 39 GLY HAx A 41 ASP H 1.0 1.8 5.50 657 517 A 39 GLY HAx A 42 CYS H 1.0 1.8 5.82 658 518 A 44 ASP H A 42 CYS H 1.0 1.8 6.50 659 519 A 57 PRO HDy A 59 LEU H 1.0 1.8 6.44 660 520 A 45 GLN H A 29 CYS HBy 1.0 1.8 6.50 661 521 A 46 PHE H A 49 MET H 1.0 1.8 6.50 662 522 A 29 CYS HBx A 45 GLN H 1.0 1.8 6.50 663 523 A 47 ARG H A 48 ALA H 1.0 1.8 5.24 664 524 A 47 ARG H A 49 MET H 1.0 1.8 6.50 665 525 A 50 GLN H A 49 MET H 1.0 1.8 5.99 666 526 A 48 ALA HA A 51 GLU H 1.0 1.8 6.32 667 527 A 52 CYS H A 51 GLU H 1.0 1.8 5.83 668 528 A 52 CYS H A 51 GLU HBy 1.0 1.8 5.49 669 529 A 52 CYS H A 54 GLN H 1.0 1.8 6.50 670 530 A 46 PHE HBx A 49 MET H 1.0 1.8 6.50 671 531 A 55 LYS H A 53 MET H 1.0 1.8 5.73 672 532 A 56 TYR HA A 55 LYS H 1.0 1.8 6.50 673 533 A 60 TYR HEy A 58 ASP H 1.0 1.8 6.33 674 533 A 60 TYR HEx A 58 ASP H 1.0 1.8 6.33 675 534 A 57 PRO HGy A 59 LEU H 1.0 1.8 6.50 676 535 A 45 GLN HE22 A 29 CYS HBx 1.0 1.8 5.37 677 536 A 29 CYS HBx A 45 GLN HE21 1.0 1.8 5.34 678 537 A 40 SER H A 37 ILE HG1x 1.0 1.8 6.27 679 538 A 12 GLY H A 10 CYS HA 1.0 1.8 5.30 680 539 A 23 PHE HDy A 14 MET HBy 1.0 1.8 5.64 681 539 A 23 PHE HDx A 14 MET HBy 1.0 1.8 5.64 682 540 A 23 PHE HEy A 14 MET HBy 1.0 1.8 6.25 683 540 A 23 PHE HEx A 14 MET HBy 1.0 1.8 6.25 684 541 A 23 PHE HDy A 14 MET HBx 1.0 1.8 5.58 685 541 A 23 PHE HDx A 14 MET HBx 1.0 1.8 5.58 686 542 A 23 PHE HEy A 14 MET HBx 1.0 1.8 6.56 687 542 A 23 PHE HEx A 14 MET HBx 1.0 1.8 6.56 688 543 A 23 PHE HEy A 14 MET HA 1.0 1.8 6.21 689 543 A 23 PHE HEx A 14 MET HA 1.0 1.8 6.21 690 544 A 23 PHE HDy A 14 MET HA 1.0 1.8 6.79 691 544 A 23 PHE HDx A 14 MET HA 1.0 1.8 6.79 692 545 A 23 PHE HDx A 4 ILE HG21 1.0 1.8 7.98 693 545 A 23 PHE HDy A 4 ILE HG21 1.0 1.8 7.98 694 546 A 23 PHE HDy A 14 MET HGy 1.0 1.8 5.72 695 546 A 23 PHE HDx A 14 MET HGy 1.0 1.8 5.72 696 547 A 23 PHE HDy A 14 MET HGx 1.0 1.8 6.58 697 547 A 23 PHE HDx A 14 MET HGx 1.0 1.8 6.58 698 548 A 22 GLN HGx A 23 PHE H 1.0 1.8 5.34 699 548 A 22 GLN HGy A 23 PHE H 1.0 1.8 5.34 700 549 A 53 MET H A 54 GLN HGy 1.0 1.8 6.00 701 550 A 54 GLN HGy A 54 GLN H 1.0 1.8 5.50 702 551 A 45 GLN HGx A 45 GLN HA 1.0 1.8 3.88 703 552 A 47 ARG HBy A 44 ASP HA 1.0 1.8 4.64 704 552 A 47 ARG HBx A 44 ASP HA 1.0 1.8 4.64 705 553 A 16 SER HBy A 16 SER HA 1.0 1.8 3.83 706 553 A 16 SER HBx A 16 SER HA 1.0 1.8 3.83 707 554 A 55 LYS HBx A 55 LYS H 1.0 1.8 4.24 708 555 A 53 MET HGy A 50 GLN HA 1.0 1.8 5.12 709 556 A 26 ALA HA A 29 CYS HBy 1.0 1.8 5.55 710 557 A 56 TYR HA A 57 PRO HBx 1.0 1.8 5.57 711 558 A 59 LEU HD11 A 59 LEU HA 1.0 1.8 5.90 712 559 A 56 TYR HA A 59 LEU HG 1.0 1.8 6.00 713 560 A 58 ASP HA A 60 TYR H 1.0 1.8 4.96 714 561 A 52 CYS H A 51 GLU HBy 1.0 1.8 4.79 715 562 A 42 CYS HA A 44 ASP H 1.0 1.8 5.36 716 563 A 42 CYS HA A 45 GLN HE21 1.0 1.8 5.08 717 564 A 36 GLU H A 36 GLU HBx 1.0 1.8 4.50 718 565 A 37 ILE H A 36 GLU HBy 1.0 1.8 4.19 719 566 A 24 LYS HBx A 24 LYS HDy 1.0 1.8 4.57 720 567 A 41 ASP HA A 42 CYS HA 1.0 1.8 5.45 721 568 A 23 PHE HDy A 15 ALA HA 1.0 1.8 5.83 722 568 A 23 PHE HDx A 15 ALA HA 1.0 1.8 5.83 723 569 A 15 ALA HA A 14 MET HA 1.0 1.8 5.70 724 570 A 21 GLU HBy A 22 GLN H 1.0 1.8 4.57 725 571 A 21 GLU HBy A 21 GLU H 1.0 1.8 4.18 726 572 A 21 GLU HBx A 22 GLN H 1.0 1.8 4.49 727 573 A 19 CYS HA A 22 GLN H 1.0 1.8 5.18 728 574 A 47 ARG HGy A 47 ARG H 1.0 1.8 4.86 729 575 A 47 ARG HGy A 48 ALA H 1.0 1.8 5.63 730 576 A 58 ASP H A 59 LEU HG 1.0 1.8 5.64 731 577 A 57 PRO HDy A 58 ASP H 1.0 1.8 4.78 732 578 A 56 TYR HA A 57 PRO HDy 1.0 1.8 3.86 733 579 A 56 TYR HBy A 57 PRO HDy 1.0 1.8 5.88 734 579 A 56 TYR HBx A 57 PRO HDy 1.0 1.8 5.88 735 580 A 5 ASN HA A 4 ILE HG21 1.0 1.8 6.93 736 581 A 17 GLY HAy A 18 PRO HDy 1.0 1.8 4.11 737 582 A 18 PRO HDx A 17 GLY HAx 1.0 1.8 4.12 738 583 A 55 LYS HA A 55 LYS HGy 1.0 1.8 4.50 739 584 A 55 LYS HA A 55 LYS HGx 1.0 1.8 4.26 740 585 A 59 LEU HD21 A 60 TYR HDx 1.0 1.8 6.85 741 585 A 59 LEU HD21 A 60 TYR HDy 1.0 1.8 6.85 742 586 A 59 LEU HD21 A 59 LEU HA 1.0 1.8 6.00 743 587 A 56 TYR HBx A 59 LEU HD21 1.0 1.8 6.84 744 587 A 59 LEU HD21 A 56 TYR HBy 1.0 1.8 6.84 745 588 A 20 GLY HAy A 22 GLN H 1.0 1.8 5.50 746 589 A 20 GLY HAx A 22 GLN H 1.0 1.8 5.86 747 590 A 59 LEU HD11 A 60 TYR H 1.0 1.8 6.34 748 591 A 43 VAL HG11 A 44 ASP H 1.0 1.8 5.64 749 592 A 43 VAL HG11 A 43 VAL H 1.0 1.8 4.43 750 593 A 43 VAL HG11 A 42 CYS HBx 1.0 1.8 7.11 751 594 A 39 GLY HAy A 40 SER HA 1.0 1.8 5.55 752 595 A 34 THR HG21 A 34 THR H 1.0 1.8 5.15 753 596 A 34 THR HG21 A 35 GLU H 1.0 1.8 5.86 754 597 A 43 VAL HG21 A 43 VAL H 1.0 1.8 5.40 755 598 A 18 PRO HGy A 17 GLY HAx 1.0 1.8 5.49 756 598 A 18 PRO HGx A 17 GLY HAx 1.0 1.8 5.49 757 599 A 35 GLU H A 34 THR HB 1.0 1.8 5.02 758 600 A 47 ARG H A 47 ARG HDy 1.0 1.8 5.61 759 600 A 47 ARG H A 47 ARG HDx 1.0 1.8 5.61 760 601 A 44 ASP HA A 47 ARG HDy 1.0 1.8 6.30 761 601 A 44 ASP HA A 47 ARG HDx 1.0 1.8 6.30 762 602 A 47 ARG HBy A 47 ARG HDy 1.0 1.8 4.68 763 602 A 47 ARG HBy A 47 ARG HDx 1.0 1.8 4.68 764 602 A 47 ARG HBx A 47 ARG HDy 1.0 1.8 4.68 765 602 A 47 ARG HBx A 47 ARG HDx 1.0 1.8 4.68 766 603 A 15 ALA HB1 A 15 ALA H 1.0 1.8 4.90 767 604 A 15 ALA HB1 A 23 PHE HBx 1.0 1.8 5.56 768 605 A 43 VAL HA A 46 PHE HBx 1.0 1.8 4.61 769 606 A 46 PHE HDy A 43 VAL HA 1.0 1.8 5.73 770 606 A 46 PHE HDx A 43 VAL HA 1.0 1.8 5.73 771 607 A 60 TYR H A 59 LEU HBx 1.0 1.8 5.11 772 608 A 59 LEU H A 59 LEU HBx 1.0 1.8 4.58 773 609 A 38 LYS HEx A 38 LYS HBy 1.0 1.8 5.69 774 610 A 28 SER H A 26 ALA HB1 1.0 1.8 7.02 775 611 A 48 ALA HB1 A 51 GLU HGy 1.0 1.8 5.40 776 612 A 24 LYS HEy A 24 LYS H 1.0 1.8 5.98 777 612 A 24 LYS HEx A 24 LYS H 1.0 1.8 5.98 778 613 A 24 LYS HEy A 21 GLU HA 1.0 1.8 5.49 779 613 A 24 LYS HEx A 21 GLU HA 1.0 1.8 5.49 780 614 A 24 LYS HEx A 15 ALA HB1 1.0 1.8 5.84 781 614 A 24 LYS HEy A 15 ALA HB1 1.0 1.8 5.84 782 615 A 24 LYS HEy A 24 LYS HGy 1.0 1.8 4.96 783 615 A 24 LYS HEx A 24 LYS HGy 1.0 1.8 4.96 784 616 A 37 ILE HG21 A 37 ILE HG1y 1.0 1.8 5.22 785 617 A 38 LYS HGx A 37 ILE HG21 1.0 1.8 6.04 786 617 A 37 ILE HG21 A 38 LYS HGy 1.0 1.8 6.04 787 618 A 45 GLN HBx A 42 CYS HBy 1.0 1.8 5.43 788 619 A 16 SER HBy A 16 SER H 1.0 1.8 4.27 789 619 A 16 SER HBx A 16 SER H 1.0 1.8 4.27 790 620 A 60 TYR HEx A 56 TYR HBy 1.0 1.8 7.14 791 620 A 60 TYR HEy A 56 TYR HBy 1.0 1.8 7.14 792 620 A 60 TYR HEy A 56 TYR HBx 1.0 1.8 7.14 793 620 A 60 TYR HEx A 56 TYR HBx 1.0 1.8 7.14 794 621 A 56 TYR HBx A 59 LEU HD11 1.0 1.8 6.62 795 621 A 56 TYR HBy A 59 LEU HD11 1.0 1.8 6.62 796 622 A 59 LEU H A 58 ASP HBy 1.0 1.8 4.83 797 623 A 4 ILE HG21 A 6 TRP HA 1.0 1.8 5.95 798 624 A 4 ILE HG21 A 4 ILE HG1x 1.0 1.8 5.51 799 625 A 52 CYS HBy A 22 GLN HGx 1.0 1.8 5.92 800 625 A 52 CYS HBy A 22 GLN HGy 1.0 1.8 5.92 801 626 A 52 CYS HBy A 22 GLN HBx 1.0 1.8 5.70 802 627 A 52 CYS HBy A 22 GLN HE21 1.0 1.8 5.00 803 628 A 25 SER HBy A 25 SER H 1.0 1.8 3.88 804 629 A 45 GLN HGx A 25 SER HBy 1.0 1.8 5.16 805 630 A 3 ASN HBy A 4 ILE H 1.0 1.8 4.89 806 630 A 3 ASN HBx A 4 ILE H 1.0 1.8 4.89 807 631 A 15 ALA HA A 23 PHE HBx 1.0 1.8 6.00 808 632 A 41 ASP H A 40 SER HBx 1.0 1.8 5.94 809 633 A 5 ASN HBx A 4 ILE HA 1.0 1.8 5.72 810 634 A 5 ASN H A 4 ILE HA 1.0 1.8 4.03 811 635 A 5 ASN HBy A 4 ILE HA 1.0 1.8 5.30 812 636 A 6 TRP HH2 A 4 ILE HD11 1.0 1.8 6.68 813 637 A 4 ILE HD11 A 31 HIS HBx 1.0 1.8 6.83 814 638 A 52 CYS HA A 53 MET HGy 1.0 1.8 6.50 815 639 A 51 GLU HGy A 51 GLU H 1.0 1.8 5.18 816 640 A 51 GLU HGy A 51 GLU HA 1.0 1.8 4.62 817 641 A 52 CYS HA A 54 GLN HGx 1.0 1.8 5.22 818 642 A 34 THR HA A 34 THR HG21 1.0 1.8 4.34 819 643 A 45 GLN HA A 44 ASP HA 1.0 1.8 5.87 820 644 A 22 GLN HA A 22 GLN HGx 1.0 1.8 4.28 821 644 A 22 GLN HA A 22 GLN HGy 1.0 1.8 4.28 822 645 A 36 GLU HA A 36 GLU HGx 1.0 1.8 3.93 823 646 A 37 ILE HA A 37 ILE HD11 1.0 1.8 5.06 824 647 A 37 ILE HB A 37 ILE HD11 1.0 1.8 5.10 825 648 A 38 LYS HA A 39 GLY HAy 1.0 1.8 5.33 826 649 A 47 ARG HA A 50 GLN H 1.0 1.8 4.62 827 650 A 47 ARG HA A 46 PHE HBx 1.0 1.8 5.00 828 651 A 40 SER HBx A 37 ILE HB 1.0 1.8 4.66 829 652 A 32 TYR HEy A 32 TYR HA 1.0 1.8 6.21 830 652 A 32 TYR HEx A 32 TYR HA 1.0 1.8 6.21 831 653 A 38 LYS HBx A 38 LYS H 1.0 1.8 4.36 832 654 A 6 TRP HD1 A 6 TRP H 1.0 1.8 4.42 833 655 A 5 ASN HA A 6 TRP H 1.0 1.8 3.96 834 656 A 6 TRP HBy A 6 TRP H 1.0 1.8 4.42 835 657 A 6 TRP HBx A 6 TRP H 1.0 1.8 4.31 836 658 A 5 ASN HBx A 6 TRP H 1.0 1.8 5.21 837 659 A 24 LYS HGy A 23 PHE H 1.0 1.8 6.00 838 660 A 22 GLN HBy A 23 PHE H 1.0 1.8 5.61 839 661 A 4 ILE HG1y A 5 ASN H 1.0 1.8 5.86 840 662 A 23 PHE HDy A 26 ALA H 1.0 1.8 7.01 841 662 A 23 PHE HDx A 26 ALA H 1.0 1.8 7.01 842 663 A 28 SER H A 26 ALA H 1.0 1.8 5.79 843 664 A 26 ALA HB1 A 26 ALA H 1.0 1.8 5.38 844 665 A 8 SER H A 8 SER HBy 1.0 1.8 4.10 845 666 A 8 SER H A 8 SER HBx 1.0 1.8 4.11 846 667 A 46 PHE H A 46 PHE HBx 1.0 1.8 4.57 847 668 A 44 ASP HBy A 45 GLN H 1.0 1.8 4.60 848 668 A 44 ASP HBx A 45 GLN H 1.0 1.8 4.60 849 669 A 45 GLN HBy A 45 GLN H 1.0 1.8 4.61 850 670 A 36 GLU H A 36 GLU HBy 1.0 1.8 4.50 851 671 A 45 GLN H A 45 GLN HE21 1.0 1.8 6.00 852 672 A 35 GLU H A 36 GLU H 1.0 1.8 4.98 853 673 A 34 THR H A 35 GLU H 1.0 1.8 4.24 854 674 A 48 ALA HA A 50 GLN H 1.0 1.8 5.69 855 675 A 21 GLU H A 22 GLN H 1.0 1.8 3.89 856 676 A 44 ASP H A 43 VAL H 1.0 1.8 4.65 857 677 A 44 ASP HBy A 44 ASP H 1.0 1.8 4.11 858 677 A 44 ASP HBx A 44 ASP H 1.0 1.8 4.11 859 678 A 31 HIS H A 30 PHE H 1.0 1.8 5.11 860 679 A 29 CYS HBx A 30 PHE H 1.0 1.8 4.60 861 680 A 41 ASP HA A 43 VAL H 1.0 1.8 5.98 862 681 A 44 ASP HBy A 43 VAL H 1.0 1.8 6.52 863 681 A 44 ASP HBx A 43 VAL H 1.0 1.8 6.52 864 682 A 34 THR H A 33 SER HBx 1.0 1.8 5.98 865 683 A 34 THR H A 35 GLU HBx 1.0 1.8 6.00 866 684 A 30 PHE H A 32 TYR H 1.0 1.8 6.00 867 685 A 47 ARG HBy A 48 ALA H 1.0 1.8 4.37 868 685 A 47 ARG HBx A 48 ALA H 1.0 1.8 4.37 869 686 A 46 PHE HBx A 48 ALA H 1.0 1.8 5.65 870 687 A 22 GLN HE22 A 21 GLU H 1.0 1.8 6.20 871 688 A 21 GLU HBx A 21 GLU H 1.0 1.8 3.85 872 689 A 25 SER HBx A 24 LYS H 1.0 1.8 5.46 873 690 A 24 LYS H A 23 PHE HBy 1.0 1.8 5.55 874 691 A 24 LYS HBy A 24 LYS H 1.0 1.8 4.56 875 692 A 4 ILE HG1y A 4 ILE H 1.0 1.8 5.57 876 693 A 4 ILE HB A 4 ILE H 1.0 1.8 4.05 877 694 A 52 CYS HBx A 53 MET H 1.0 1.8 4.78 878 695 A 53 MET H A 53 MET HGy 1.0 1.8 5.13 879 696 A 26 ALA HB1 A 27 PHE H 1.0 1.8 6.55 880 697 A 53 MET HGx A 53 MET H 1.0 1.8 4.86 881 698 A 53 MET H A 53 MET HBx 1.0 1.8 4.52 882 699 A 29 CYS HBx A 29 CYS H 1.0 1.8 3.91 883 700 A 60 TYR HA A 59 LEU H 1.0 1.8 5.62 884 701 A 30 PHE HDy A 31 HIS H 1.0 1.8 6.24 885 701 A 30 PHE HDx A 31 HIS H 1.0 1.8 6.24 886 702 A 15 ALA H A 14 MET H 1.0 1.8 5.50 887 703 A 14 MET H A 13 GLY H 1.0 1.8 5.10 888 704 A 14 MET H A 14 MET HGx 1.0 1.8 5.09 889 705 A 4 ILE HD11 A 31 HIS H 1.0 1.8 7.11 890 706 A 31 HIS HBx A 31 HIS H 1.0 1.8 4.35 891 707 A 49 MET H A 49 MET HGy 1.0 1.8 7.07 892 707 A 49 MET H A 49 MET HGx 1.0 1.8 7.07 893 708 A 49 MET H A 49 MET HBy 1.0 1.8 4.69 894 708 A 49 MET H A 49 MET HBx 1.0 1.8 4.69 895 709 A 40 SER H A 40 SER HBx 1.0 1.8 4.32 896 710 A 38 LYS HA A 40 SER H 1.0 1.8 4.94 897 711 A 35 GLU HBx A 40 SER H 1.0 1.8 5.59 898 712 A 52 CYS HBy A 51 GLU H 1.0 1.8 6.09 899 713 A 51 GLU H A 51 GLU HBx 1.0 1.8 4.03 900 714 A 37 ILE H A 40 SER HBx 1.0 1.8 4.70 901 715 A 37 ILE H A 35 GLU HBy 1.0 1.8 4.15 902 716 A 37 ILE H A 37 ILE HB 1.0 1.8 3.70 903 717 A 52 CYS H A 53 MET H 1.0 1.8 4.53 904 718 A 52 CYS HBx A 52 CYS H 1.0 1.8 3.94 905 719 A 54 GLN HE22 A 54 GLN H 1.0 1.8 6.00 906 720 A 54 GLN H A 54 GLN HGx 1.0 1.8 4.53 907 721 A 53 MET HBx A 54 GLN H 1.0 1.8 4.69 908 722 A 53 MET HGy A 54 GLN H 1.0 1.8 5.88 909 723 A 41 ASP H A 42 CYS H 1.0 1.8 4.68 910 724 A 40 SER HA A 42 CYS H 1.0 1.8 5.45 911 725 A 43 VAL HA A 42 CYS H 1.0 1.8 5.46 912 726 A 60 TYR H A 60 TYR HBx 1.0 1.8 4.52 913 727 A 60 TYR H A 60 TYR HBy 1.0 1.8 4.52 914 728 A 54 GLN HE22 A 55 LYS H 1.0 1.8 5.65 915 729 A 55 LYS HBy A 55 LYS H 1.0 1.8 4.05 916 730 A 55 LYS HGx A 55 LYS H 1.0 1.8 4.56 917 731 A 40 SER H A 41 ASP H 1.0 1.8 5.01 918 732 A 35 GLU HGy A 41 ASP H 1.0 1.8 5.91 919 732 A 35 GLU HGx A 41 ASP H 1.0 1.8 5.91 920 733 A 57 PRO HDy A 56 TYR H 1.0 1.8 5.45 921 734 A 56 TYR HBx A 56 TYR H 1.0 1.8 4.29 922 735 A 31 HIS H A 33 SER H 1.0 1.8 5.07 923 736 A 33 SER H A 32 TYR H 1.0 1.8 4.39 924 737 A 33 SER HBx A 33 SER H 1.0 1.8 3.80 925 738 A 33 SER H A 32 TYR HBx 1.0 1.8 5.20 926 739 A 18 PRO HGx A 19 CYS H 1.0 1.8 4.97 927 740 A 59 LEU HD11 A 58 ASP H 1.0 1.8 6.91 928 741 A 56 TYR HBx A 58 ASP H 1.0 1.8 5.89 929 742 A 58 ASP HBx A 58 ASP H 1.0 1.8 4.36 930 743 A 57 PRO HGy A 58 ASP H 1.0 1.8 4.26 931 744 A 25 SER HBx A 25 SER H 1.0 1.8 3.80 932 745 A 24 LYS HBy A 25 SER H 1.0 1.8 4.69 933 746 A 24 LYS HBx A 25 SER H 1.0 1.8 4.76 934 747 A 6 TRP HH2 A 28 SER H 1.0 1.8 4.75 935 748 A 4 ILE HD11 A 28 SER H 1.0 1.8 7.11 936 749 A 32 TYR HBy A 32 TYR H 1.0 1.8 4.57 937 750 A 31 HIS H A 32 TYR H 1.0 1.8 4.94 938 751 A 31 HIS HBy A 32 TYR H 1.0 1.8 4.46 939 752 A 27 PHE HDy A 28 SER H 1.0 1.8 6.20 940 752 A 27 PHE HDx A 28 SER H 1.0 1.8 6.20 941 753 A 27 PHE HBy A 28 SER H 1.0 1.8 5.60 942 754 A 6 TRP HBy A 7 ASN H 1.0 1.8 5.27 943 755 A 7 ASN HBx A 7 ASN H 1.0 1.8 3.99 944 756 A 4 ILE HG21 A 7 ASN H 1.0 1.8 7.11 945 757 A 45 GLN HE22 A 44 ASP HBy 1.0 1.8 5.46 946 757 A 44 ASP HBx A 45 GLN HE22 1.0 1.8 5.46 947 758 A 18 PRO HBx A 20 GLY H 1.0 1.8 6.30 948 759 A 5 ASN HA A 5 ASN HD21 1.0 1.8 5.45 949 760 A 18 PRO HA A 20 GLY H 1.0 1.8 5.02 950 761 A 20 GLY H A 19 CYS HBx 1.0 1.8 5.40 951 762 A 18 PRO HBy A 20 GLY H 1.0 1.8 6.30 952 763 A 18 PRO HDx A 17 GLY H 1.0 1.8 6.00 953 764 A 12 GLY H A 13 GLY H 1.0 1.8 5.49 954 765 A 11 LEU H A 12 GLY H 1.0 1.8 5.12 955 766 A 27 PHE HDy A 27 PHE H 1.0 1.8 6.51 956 766 A 27 PHE HDx A 27 PHE H 1.0 1.8 6.51 957 767 A 28 SER H A 27 PHE H 1.0 1.8 4.85 958 768 A 25 SER HA A 27 PHE H 1.0 1.8 6.00 959 769 A 34 THR H A 35 GLU HA 1.0 1.8 6.08 960 770 A 34 THR H A 33 SER H 1.0 1.8 5.53 961 771 A 34 THR H A 33 SER HBy 1.0 1.8 6.04 962 771 A 34 THR H A 33 SER HBx 1.0 1.8 6.04 963 772 A 45 GLN H A 44 ASP H 1.0 1.8 4.57 964 773 A 45 GLN H A 42 CYS HA 1.0 1.8 5.46 965 774 A 45 GLN H A 43 VAL HA 1.0 1.8 5.30 966 775 A 46 PHE HDy A 46 PHE H 1.0 1.8 5.63 967 775 A 46 PHE HDx A 46 PHE H 1.0 1.8 5.63 968 776 A 46 PHE H A 47 ARG H 1.0 1.8 5.73 969 777 A 5 ASN H A 6 TRP H 1.0 1.8 5.72 970 778 A 20 GLY H A 21 GLU H 1.0 1.8 4.79 971 779 A 19 CYS HA A 21 GLU H 1.0 1.8 5.39 972 780 A 22 GLN HA A 21 GLU H 1.0 1.8 5.88 973 781 A 21 GLU HGy A 21 GLU H 1.0 1.8 4.33 974 782 A 27 PHE HBx A 28 SER H 1.0 1.8 5.72 975 783 A 29 CYS H A 28 SER H 1.0 1.8 4.92 976 784 A 52 CYS H A 51 GLU H 1.0 1.8 4.68 977 785 A 48 ALA HA A 51 GLU H 1.0 1.8 4.67 978 786 A 47 ARG H A 45 GLN HA 1.0 1.8 5.36 979 787 A 47 ARG H A 44 ASP HA 1.0 1.8 4.29 980 788 A 47 ARG H A 46 PHE HBx 1.0 1.8 5.08 981 789 A 47 ARG HBy A 47 ARG H 1.0 1.8 4.82 982 789 A 47 ARG HBx A 47 ARG H 1.0 1.8 4.82 983 790 A 47 ARG H A 48 ALA H 1.0 1.8 5.09 984 791 A 15 ALA HB1 A 24 LYS H 1.0 1.8 7.11 985 792 A 24 LYS H A 23 PHE H 1.0 1.8 4.80 986 793 A 23 PHE HDy A 24 LYS H 1.0 1.8 5.54 987 793 A 23 PHE HDx A 24 LYS H 1.0 1.8 5.54 988 794 A 21 GLU HA A 24 LYS H 1.0 1.8 4.79 989 795 A 37 ILE H A 36 GLU H 1.0 1.8 4.40 990 796 A 35 GLU HA A 36 GLU H 1.0 1.8 4.00 991 797 A 50 GLN H A 49 MET H 1.0 1.8 4.73 992 798 A 50 GLN H A 49 MET HBy 1.0 1.8 6.09 993 798 A 50 GLN H A 49 MET HBx 1.0 1.8 6.09 994 799 A 48 ALA HB1 A 50 GLN H 1.0 1.8 7.11 995 800 A 30 PHE H A 29 CYS H 1.0 1.8 5.00 996 801 A 37 ILE HA A 38 LYS H 1.0 1.8 3.91 997 802 A 15 ALA H A 16 SER H 1.0 1.8 4.50 998 803 A 40 SER HBy A 37 ILE H 1.0 1.8 5.57 999 804 A 35 GLU HBx A 37 ILE H 1.0 1.8 4.80 1000 805 A 37 ILE HG21 A 37 ILE H 1.0 1.8 5.05 1001 806 A 48 ALA H A 46 PHE HA 1.0 1.8 5.30 1002 807 A 48 ALA H A 49 MET H 1.0 1.8 4.43 1003 808 A 48 ALA H A 44 ASP HA 1.0 1.8 5.40 1004 809 A 11 LEU HBx A 12 GLY H 1.0 1.8 5.28 1005 810 A 11 LEU HBy A 12 GLY H 1.0 1.8 5.27 1006 811 A 27 PHE H A 26 ALA H 1.0 1.8 4.84 1007 812 A 23 PHE H A 26 ALA H 1.0 1.8 5.59 1008 813 A 25 SER HBx A 26 ALA H 1.0 1.8 4.56 1009 814 A 53 MET H A 54 GLN H 1.0 1.8 4.91 1010 815 A 17 GLY HAx A 20 GLY H 1.0 1.8 5.05 1011 816 A 1 ASN HD21 A 3 ASN H 1.0 1.8 5.88 1012 817 A 24 LYS H A 25 SER H 1.0 1.8 5.03 1013 818 A 5 ASN HD21 A 6 TRP H 1.0 1.8 6.00 1014 819 A 32 TYR HDy A 32 TYR H 1.0 1.8 5.28 1015 819 A 32 TYR HDx A 32 TYR H 1.0 1.8 5.28 1016 820 A 20 GLY H A 19 CYS H 1.0 1.8 4.20 1017 821 A 60 TYR HEy A 60 TYR H 1.0 1.8 6.19 1018 821 A 60 TYR HEx A 60 TYR H 1.0 1.8 6.19 1019 822 A 6 TRP HE1 A 6 TRP H 1.0 1.8 5.93 1020 823 A 60 TYR H A 59 LEU H 1.0 1.8 4.00 1021 824 A 55 LYS H A 54 GLN H 1.0 1.8 4.54 1022 825 A 28 SER HBy A 29 CYS H 1.0 1.8 5.65 1023 825 A 28 SER HBx A 29 CYS H 1.0 1.8 5.65 1024 826 A 42 CYS H A 42 CYS HBy 1.0 1.8 4.66 1025 827 A 56 TYR HDy A 56 TYR H 1.0 1.8 6.67 1026 827 A 56 TYR HDx A 56 TYR H 1.0 1.8 6.67 1027 828 A 60 TYR HEy A 56 TYR H 1.0 1.8 5.91 1028 828 A 60 TYR HEx A 56 TYR H 1.0 1.8 5.91 1029 829 A 6 TRP HH2 A 24 LYS H 1.0 1.8 5.85 1030 830 A 6 TRP HH2 A 27 PHE H 1.0 1.8 5.75 1031 831 A 6 TRP HE3 A 11 LEU HG 1.0 1.8 5.50 1032 832 A 1 ASN HD22 A 1 ASN HBx 1.0 1.8 4.47 1033 833 A 58 ASP H A 59 LEU H 1.0 1.8 4.04 1034 834 A 59 LEU HD21 A 59 LEU H 1.0 1.8 5.72 1035 835 A 33 SER HBy A 35 GLU H 1.0 1.8 6.17 1036 835 A 33 SER HBx A 35 GLU H 1.0 1.8 6.17 1037 836 A 23 PHE HEy A 11 LEU HBy 1.0 1.8 5.66 1038 836 A 23 PHE HEx A 11 LEU HBy 1.0 1.8 5.66 1039 837 A 23 PHE HEy A 11 LEU HA 1.0 1.8 5.54 1040 837 A 23 PHE HEx A 11 LEU HA 1.0 1.8 5.54 1041 838 A 27 PHE HDy A 46 PHE HDy 1.0 1.8 7.48 1042 838 A 27 PHE HDy A 46 PHE HDx 1.0 1.8 7.48 1043 838 A 27 PHE HDx A 46 PHE HDy 1.0 1.8 7.48 1044 838 A 27 PHE HDx A 46 PHE HDx 1.0 1.8 7.48 1045 839 A 1 ASN HD21 A 3 ASN HD22 1.0 1.8 5.67 1046 840 A 45 GLN HE22 A 42 CYS HA 1.0 1.8 5.63 1047 841 A 23 PHE HDy A 23 PHE HA 1.0 1.8 4.29 1048 841 A 23 PHE HDx A 23 PHE HA 1.0 1.8 4.29 1049 842 A 23 PHE HDy A 23 PHE H 1.0 1.8 5.57 1050 842 A 23 PHE HDx A 23 PHE H 1.0 1.8 5.57 1051 843 A 30 PHE HDy A 30 PHE H 1.0 1.8 5.98 1052 843 A 30 PHE HDx A 30 PHE H 1.0 1.8 5.98 1053 844 A 3 ASN HD21 A 4 ILE HD11 1.0 1.8 7.11 1054 845 A 22 GLN HE22 A 19 CYS HA 1.0 1.8 5.91 1055 846 A 27 PHE HDy A 46 PHE HEy 1.0 1.8 6.21 1056 846 A 27 PHE HDx A 46 PHE HEy 1.0 1.8 6.21 1057 846 A 27 PHE HDx A 46 PHE HEx 1.0 1.8 6.21 1058 846 A 27 PHE HDy A 46 PHE HEx 1.0 1.8 6.21 1059 847 A 24 LYS HDx A 6 TRP HZ3 1.0 1.8 6.00 1060 848 A 6 TRP HZ3 A 6 TRP HA 1.0 1.8 5.38 1061 849 A 1 ASN HD21 A 3 ASN HBy 1.0 1.8 6.29 1062 849 A 1 ASN HD21 A 3 ASN HBx 1.0 1.8 6.29 1063 850 A 56 TYR HA A 58 ASP H 1.0 1.8 4.95 1064 851 A 56 TYR HDy A 56 TYR HA 1.0 1.8 4.09 1065 851 A 56 TYR HDx A 56 TYR HA 1.0 1.8 4.09 1066 852 A 56 TYR HA A 56 TYR HEy 1.0 1.8 5.44 1067 852 A 56 TYR HA A 56 TYR HEx 1.0 1.8 5.44 1068 853 A 60 TYR HDy A 60 TYR HA 1.0 1.8 5.55 1069 853 A 60 TYR HDx A 60 TYR HA 1.0 1.8 5.55 1070 854 A 7 ASN HA A 7 ASN HD22 1.0 1.8 4.15 1071 855 A 3 ASN HA A 3 ASN HD22 1.0 1.8 4.71 1072 856 A 3 ASN HD21 A 3 ASN HA 1.0 1.8 4.60 1073 857 A 7 ASN HA A 7 ASN HD21 1.0 1.8 4.04 1074 858 A 6 TRP HE1 A 3 ASN HA 1.0 1.8 6.07 1075 859 A 3 ASN HA A 4 ILE H 1.0 1.8 3.96 1076 860 A 4 ILE HD11 A 3 ASN HA 1.0 1.8 7.71 1077 861 A 16 SER HA A 17 GLY H 1.0 1.8 4.03 1078 862 A 15 ALA HB1 A 16 SER HA 1.0 1.8 7.01 1079 863 A 34 THR HA A 34 THR HB 1.0 1.8 3.11 1080 864 A 1 ASN HA A 3 ASN H 1.0 1.8 5.67 1081 865 A 1 ASN HD22 A 1 ASN HA 1.0 1.8 5.20 1082 866 A 1 ASN HD21 A 1 ASN HA 1.0 1.8 5.67 1083 867 A 5 ASN HA A 5 ASN HD22 1.0 1.8 5.46 1084 868 A 6 TRP HE3 A 6 TRP HA 1.0 1.8 3.78 1085 869 A 48 ALA HB1 A 44 ASP HA 1.0 1.8 6.90 1086 870 A 52 CYS HA A 54 GLN H 1.0 1.8 5.17 1087 871 A 18 PRO HA A 19 CYS HA 1.0 1.8 5.31 1088 872 A 49 MET H A 46 PHE HA 1.0 1.8 5.21 1089 873 A 46 PHE HDy A 46 PHE HA 1.0 1.8 4.72 1090 873 A 46 PHE HDx A 46 PHE HA 1.0 1.8 4.72 1091 874 A 28 SER HA A 31 HIS HBy 1.0 1.8 5.00 1092 875 A 28 SER HA A 32 TYR HEy 1.0 1.8 5.15 1093 875 A 28 SER HA A 32 TYR HEx 1.0 1.8 5.15 1094 876 A 24 LYS HA A 25 SER HA 1.0 1.8 5.31 1095 877 A 32 TYR HDy A 32 TYR HA 1.0 1.8 4.01 1096 877 A 32 TYR HDx A 32 TYR HA 1.0 1.8 4.01 1097 878 A 59 LEU HA A 58 ASP H 1.0 1.8 5.54 1098 879 A 47 ARG HA A 47 ARG HDy 1.0 1.8 4.60 1099 879 A 47 ARG HA A 47 ARG HDx 1.0 1.8 4.60 1100 880 A 20 GLY HAy A 19 CYS H 1.0 1.8 5.37 1101 881 A 40 SER HBy A 37 ILE HB 1.0 1.8 5.01 1102 882 A 40 SER HBy A 41 ASP H 1.0 1.8 5.69 1103 883 A 45 GLN HA A 48 ALA H 1.0 1.8 4.97 1104 884 A 28 SER HBy A 28 SER H 1.0 1.8 5.21 1105 884 A 28 SER HBx A 28 SER H 1.0 1.8 5.21 1106 885 A 6 TRP HH2 A 28 SER HBy 1.0 1.8 6.31 1107 885 A 6 TRP HH2 A 28 SER HBx 1.0 1.8 6.31 1108 886 A 28 SER HBy A 32 TYR HEx 1.0 1.8 6.11 1109 886 A 28 SER HBy A 32 TYR HEy 1.0 1.8 6.11 1110 886 A 28 SER HBx A 32 TYR HEy 1.0 1.8 6.11 1111 886 A 28 SER HBx A 32 TYR HEx 1.0 1.8 6.11 1112 887 A 32 TYR HDx A 28 SER HBy 1.0 1.8 5.70 1113 887 A 32 TYR HDy A 28 SER HBy 1.0 1.8 5.70 1114 887 A 28 SER HBx A 32 TYR HDy 1.0 1.8 5.70 1115 887 A 28 SER HBx A 32 TYR HDx 1.0 1.8 5.70 1116 888 A 34 THR HA A 35 GLU HA 1.0 1.8 5.51 1117 889 A 53 MET HA A 53 MET HGy 1.0 1.8 4.33 1118 890 A 26 ALA HA A 29 CYS HBx 1.0 1.8 5.53 1119 890 A 26 ALA HA A 29 CYS HBy 1.0 1.8 5.53 1120 891 A 55 LYS HA A 55 LYS HEy 1.0 1.8 5.14 1121 891 A 55 LYS HA A 55 LYS HEx 1.0 1.8 5.14 1122 892 A 21 GLU HA A 24 LYS HDy 1.0 1.8 5.66 1123 893 A 21 GLU HGy A 21 GLU HA 1.0 1.8 4.35 1124 894 A 15 ALA HB1 A 16 SER HBx 1.0 1.8 7.62 1125 894 A 15 ALA HB1 A 16 SER HBy 1.0 1.8 7.62 1126 895 A 30 PHE HDy A 30 PHE HA 1.0 1.8 5.41 1127 895 A 30 PHE HDx A 30 PHE HA 1.0 1.8 5.41 1128 896 A 29 CYS HBx A 30 PHE HA 1.0 1.8 6.28 1129 896 A 30 PHE HA A 29 CYS HBy 1.0 1.8 6.28 1130 897 A 33 SER HBy A 33 SER H 1.0 1.8 4.74 1131 897 A 33 SER HBx A 33 SER H 1.0 1.8 4.74 1132 898 A 58 ASP H A 57 PRO HDx 1.0 1.8 4.82 1133 899 A 56 TYR H A 57 PRO HDx 1.0 1.8 5.34 1134 900 A 56 TYR HDy A 57 PRO HDx 1.0 1.8 5.38 1135 900 A 56 TYR HDx A 57 PRO HDx 1.0 1.8 5.38 1136 901 A 56 TYR HA A 57 PRO HDx 1.0 1.8 3.85 1137 902 A 46 PHE H A 43 VAL HA 1.0 1.8 5.13 1138 903 A 43 VAL HA A 46 PHE HBy 1.0 1.8 5.15 1139 904 A 38 LYS HA A 38 LYS HEy 1.0 1.8 5.30 1140 905 A 38 LYS HA A 38 LYS HEx 1.0 1.8 5.20 1141 906 A 24 LYS HA A 27 PHE H 1.0 1.8 5.36 1142 907 A 24 LYS HA A 6 TRP HZ2 1.0 1.8 4.86 1143 908 A 24 LYS HA A 6 TRP HZ3 1.0 1.8 4.96 1144 909 A 24 LYS HA A 15 ALA HB1 1.0 1.8 6.97 1145 910 A 18 PRO HDy A 19 CYS H 1.0 1.8 5.73 1146 911 A 18 PRO HDx A 19 CYS H 1.0 1.8 4.98 1147 912 A 4 ILE HG21 A 5 ASN HBy 1.0 1.8 6.93 1148 913 A 6 TRP HD1 A 6 TRP HBy 1.0 1.8 4.12 1149 914 A 15 ALA HB1 A 6 TRP HBy 1.0 1.8 5.44 1150 915 A 22 GLN HE21 A 19 CYS HBy 1.0 1.8 5.83 1151 916 A 22 GLN HGx A 19 CYS HBy 1.0 1.8 5.87 1152 916 A 22 GLN HGy A 19 CYS HBy 1.0 1.8 5.87 1153 917 A 30 PHE H A 32 TYR HBy 1.0 1.8 6.28 1154 918 A 52 CYS HBy A 53 MET H 1.0 1.8 4.95 1155 919 A 22 GLN HE22 A 52 CYS HBy 1.0 1.8 6.19 1156 920 A 52 CYS HBy A 52 CYS H 1.0 1.8 4.42 1157 921 A 29 CYS HBx A 29 CYS H 1.0 1.8 4.79 1158 921 A 29 CYS HBy A 29 CYS H 1.0 1.8 4.79 1159 922 A 29 CYS HBx A 30 PHE H 1.0 1.8 5.29 1160 922 A 30 PHE H A 29 CYS HBy 1.0 1.8 5.29 1161 923 A 56 TYR HBy A 56 TYR H 1.0 1.8 4.78 1162 923 A 56 TYR HBx A 56 TYR H 1.0 1.8 4.78 1163 924 A 56 TYR HBy A 58 ASP H 1.0 1.8 6.10 1164 924 A 56 TYR HBx A 58 ASP H 1.0 1.8 6.10 1165 925 A 22 GLN HE22 A 52 CYS HBx 1.0 1.8 5.79 1166 926 A 55 LYS HEy A 55 LYS HBx 1.0 1.8 4.64 1167 926 A 55 LYS HEx A 55 LYS HBx 1.0 1.8 4.64 1168 927 A 15 ALA HB1 A 6 TRP HBx 1.0 1.8 5.36 1169 928 A 55 LYS HEy A 55 LYS HBy 1.0 1.8 6.15 1170 928 A 55 LYS HEx A 55 LYS HBy 1.0 1.8 6.15 1171 929 A 24 LYS H A 23 PHE HBx 1.0 1.8 5.39 1172 930 A 3 ASN HBy A 3 ASN H 1.0 1.8 4.39 1173 930 A 3 ASN HBx A 3 ASN H 1.0 1.8 4.39 1174 931 A 3 ASN HBy A 2 GLY H 1.0 1.8 6.39 1175 931 A 3 ASN HBx A 2 GLY H 1.0 1.8 6.39 1176 932 A 3 ASN HBy A 3 ASN HD22 1.0 1.8 4.90 1177 932 A 3 ASN HBx A 3 ASN HD22 1.0 1.8 4.90 1178 933 A 7 ASN HBx A 5 ASN HD22 1.0 1.8 5.70 1179 934 A 58 ASP HA A 58 ASP HBy 1.0 1.8 3.33 1180 935 A 59 LEU HA A 58 ASP HBy 1.0 1.8 5.37 1181 936 A 44 ASP HBx A 43 VAL HG21 1.0 1.8 6.90 1182 936 A 44 ASP HBy A 43 VAL HG21 1.0 1.8 6.90 1183 937 A 44 ASP HBy A 42 CYS HA 1.0 1.8 6.00 1184 937 A 44 ASP HBx A 42 CYS HA 1.0 1.8 6.00 1185 938 A 44 ASP HBy A 44 ASP HA 1.0 1.8 3.73 1186 938 A 44 ASP HBx A 44 ASP HA 1.0 1.8 3.73 1187 939 A 45 GLN HGx A 45 GLN HE21 1.0 1.8 4.53 1188 940 A 58 ASP HBx A 58 ASP HA 1.0 1.8 3.47 1189 941 A 52 CYS HBx A 22 GLN HGx 1.0 1.8 6.21 1190 941 A 52 CYS HBx A 22 GLN HGy 1.0 1.8 6.21 1191 942 A 51 GLU HGy A 52 CYS H 1.0 1.8 5.07 1192 943 A 48 ALA HA A 51 GLU HGy 1.0 1.8 5.01 1193 944 A 45 GLN H A 45 GLN HGy 1.0 1.8 5.10 1194 945 A 45 GLN HGy A 45 GLN HA 1.0 1.8 4.10 1195 946 A 32 TYR HEy A 31 HIS HBy 1.0 1.8 6.53 1196 946 A 32 TYR HEx A 31 HIS HBy 1.0 1.8 6.53 1197 947 A 28 SER HBy A 31 HIS HBy 1.0 1.8 5.72 1198 947 A 28 SER HBx A 31 HIS HBy 1.0 1.8 5.72 1199 948 A 22 GLN HBy A 22 GLN H 1.0 1.8 4.31 1200 949 A 52 CYS HBx A 22 GLN HBy 1.0 1.8 5.27 1201 950 A 35 GLU HGy A 35 GLU H 1.0 1.8 5.33 1202 950 A 35 GLU HGx A 35 GLU H 1.0 1.8 5.33 1203 951 A 37 ILE H A 36 GLU HGy 1.0 1.8 5.22 1204 952 A 22 GLN HE21 A 19 CYS HBx 1.0 1.8 4.53 1205 953 A 21 GLU HGx A 21 GLU H 1.0 1.8 4.18 1206 954 A 21 GLU HGx A 22 GLN H 1.0 1.8 6.00 1207 955 A 51 GLU H A 51 GLU HGx 1.0 1.8 5.44 1208 956 A 15 ALA H A 14 MET HGy 1.0 1.8 5.02 1209 957 A 40 SER HBy A 35 GLU HBx 1.0 1.8 5.24 1210 958 A 35 GLU HBx A 35 GLU H 1.0 1.8 4.17 1211 959 A 35 GLU HBx A 41 ASP H 1.0 1.8 5.30 1212 960 A 54 GLN HBy A 54 GLN H 1.0 1.8 4.11 1213 961 A 50 GLN H A 50 GLN HBy 1.0 1.8 4.89 1214 961 A 50 GLN H A 50 GLN HBx 1.0 1.8 4.89 1215 962 A 45 GLN HBx A 45 GLN HE21 1.0 1.8 5.31 1216 963 A 42 CYS H A 43 VAL HB 1.0 1.8 5.65 1217 964 A 24 LYS HEy A 24 LYS HBy 1.0 1.8 5.70 1218 964 A 24 LYS HEx A 24 LYS HBy 1.0 1.8 5.70 1219 965 A 51 GLU H A 51 GLU HBy 1.0 1.8 4.16 1220 966 A 58 ASP H A 57 PRO HBy 1.0 1.8 4.39 1221 967 A 48 ALA HB1 A 51 GLU HBx 1.0 1.8 6.58 1222 968 A 57 PRO HGx A 58 ASP H 1.0 1.8 5.07 1223 968 A 57 PRO HGy A 58 ASP H 1.0 1.8 5.07 1224 969 A 52 CYS H A 51 GLU HBx 1.0 1.8 4.44 1225 970 A 56 TYR HA A 57 PRO HGx 1.0 1.8 5.51 1226 970 A 56 TYR HA A 57 PRO HGy 1.0 1.8 5.51 1227 971 A 37 ILE H A 36 GLU HBx 1.0 1.8 4.26 1228 972 A 54 GLN H A 53 MET HBy 1.0 1.8 5.92 1229 972 A 53 MET HBx A 54 GLN H 1.0 1.8 5.92 1230 973 A 53 MET H A 53 MET HBy 1.0 1.8 4.22 1231 973 A 53 MET H A 53 MET HBx 1.0 1.8 4.22 1232 974 A 38 LYS H A 37 ILE HB 1.0 1.8 4.98 1233 975 A 40 SER H A 37 ILE HB 1.0 1.8 6.00 1234 976 A 55 LYS HBy A 56 TYR H 1.0 1.8 5.45 1235 977 A 47 ARG HGy A 47 ARG HA 1.0 1.8 4.27 1236 978 A 49 MET HBy A 50 GLN HA 1.0 1.8 6.27 1237 978 A 49 MET HBx A 50 GLN HA 1.0 1.8 6.27 1238 979 A 27 PHE HDy A 38 LYS HBy 1.0 1.8 6.12 1239 979 A 27 PHE HDx A 38 LYS HBy 1.0 1.8 6.12 1240 980 A 45 GLN HBy A 45 GLN HE21 1.0 1.8 5.68 1241 981 A 40 SER H A 35 GLU HBy 1.0 1.8 5.76 1242 982 A 36 GLU H A 35 GLU HBy 1.0 1.8 5.08 1243 983 A 47 ARG HGx A 47 ARG HA 1.0 1.8 4.53 1244 984 A 47 ARG HGx A 47 ARG H 1.0 1.8 5.85 1245 985 A 55 LYS HGy A 55 LYS H 1.0 1.8 4.48 1246 986 A 48 ALA HB1 A 47 ARG HA 1.0 1.8 6.50 1247 987 A 48 ALA HB1 A 48 ALA H 1.0 1.8 4.46 1248 988 A 48 ALA HB1 A 49 MET H 1.0 1.8 5.15 1249 989 A 48 ALA HB1 A 45 GLN HA 1.0 1.8 4.91 1250 990 A 24 LYS HBy A 21 GLU HA 1.0 1.8 4.24 1251 991 A 15 ALA HB1 A 16 SER H 1.0 1.8 5.33 1252 992 A 23 PHE HDx A 15 ALA HB1 1.0 1.8 5.69 1253 992 A 23 PHE HDy A 15 ALA HB1 1.0 1.8 5.69 1254 993 A 15 ALA HB1 A 6 TRP HZ3 1.0 1.8 6.65 1255 994 A 37 ILE HA A 37 ILE HG1y 1.0 1.8 4.57 1256 995 A 55 LYS HBx A 56 TYR H 1.0 1.8 5.20 1257 996 A 4 ILE HG1y A 4 ILE HA 1.0 1.8 4.74 1258 997 A 46 PHE HDx A 26 ALA HB1 1.0 1.8 7.15 1259 997 A 46 PHE HDy A 26 ALA HB1 1.0 1.8 7.15 1260 998 A 59 LEU HBy A 58 ASP H 1.0 1.8 6.07 1261 999 A 59 LEU HBy A 60 TYR H 1.0 1.8 5.02 1262 1000 A 55 LYS HEy A 55 LYS HGx 1.0 1.8 4.92 1263 1000 A 55 LYS HEx A 55 LYS HGx 1.0 1.8 4.92 1264 1001 A 34 THR HG21 A 33 SER H 1.0 1.8 7.09 1265 1002 A 52 CYS H A 53 MET HGy 1.0 1.8 6.00 1266 1003 A 24 LYS HGy A 24 LYS H 1.0 1.8 4.41 1267 1004 A 6 TRP HZ2 A 24 LYS HBx 1.0 1.8 4.88 1268 1005 A 23 PHE HDy A 24 LYS HGy 1.0 1.8 6.33 1269 1005 A 23 PHE HDx A 24 LYS HGy 1.0 1.8 6.33 1270 1006 A 24 LYS HGy A 21 GLU HA 1.0 1.8 4.42 1271 1007 A 24 LYS HBx A 25 SER HA 1.0 1.8 5.15 1272 1008 A 37 ILE HA A 37 ILE HG1x 1.0 1.8 4.69 1273 1009 A 43 VAL HG11 A 40 SER HA 1.0 1.8 5.65 1274 1010 A 43 VAL HG11 A 42 CYS H 1.0 1.8 6.24 1275 1011 A 46 PHE HDy A 43 VAL HG11 1.0 1.8 7.86 1276 1011 A 46 PHE HDx A 43 VAL HG11 1.0 1.8 7.86 1277 1012 A 43 VAL HG11 A 42 CYS HA 1.0 1.8 6.96 1278 1013 A 43 VAL HG11 A 43 VAL HA 1.0 1.8 4.34 1279 1014 A 43 VAL HG21 A 44 ASP H 1.0 1.8 5.40 1280 1015 A 46 PHE HDy A 43 VAL HG21 1.0 1.8 7.91 1281 1015 A 46 PHE HDx A 43 VAL HG21 1.0 1.8 7.91 1282 1016 A 43 VAL HG21 A 47 ARG HGy 1.0 1.8 6.44 1283 1017 A 43 VAL HG21 A 44 ASP HA 1.0 1.8 5.35 1284 1018 A 43 VAL HG21 A 43 VAL HA 1.0 1.8 4.48 1285 1019 A 43 VAL HG21 A 47 ARG HDy 1.0 1.8 6.18 1286 1019 A 43 VAL HG21 A 47 ARG HDx 1.0 1.8 6.18 1287 1020 A 24 LYS HA A 24 LYS HDy 1.0 1.8 5.34 1288 1021 A 24 LYS HDy A 24 LYS H 1.0 1.8 5.75 1289 1022 A 6 TRP HZ2 A 24 LYS HDy 1.0 1.8 6.00 1290 1023 A 14 MET H A 14 MET HBy 1.0 1.8 4.59 1291 1024 A 37 ILE HG21 A 40 SER H 1.0 1.8 6.26 1292 1025 A 37 ILE HG21 A 36 GLU H 1.0 1.8 6.97 1293 1026 A 37 ILE HG21 A 38 LYS H 1.0 1.8 5.59 1294 1027 A 37 ILE HG21 A 37 ILE HA 1.0 1.8 4.25 1295 1028 A 40 SER HBy A 37 ILE HG21 1.0 1.8 5.90 1296 1029 A 37 ILE HG21 A 40 SER HBx 1.0 1.8 5.68 1297 1030 A 24 LYS HDx A 24 LYS H 1.0 1.8 5.88 1298 1031 A 6 TRP HZ2 A 24 LYS HDx 1.0 1.8 4.91 1299 1032 A 24 LYS HA A 24 LYS HDx 1.0 1.8 5.66 1300 1033 A 24 LYS HBy A 24 LYS HDx 1.0 1.8 4.49 1301 1034 A 24 LYS HDx A 21 GLU HA 1.0 1.8 6.18 1302 1035 A 11 LEU HG A 11 LEU H 1.0 1.8 4.93 1303 1036 A 11 LEU HG A 11 LEU HA 1.0 1.8 4.75 1304 1037 A 60 TYR HEy A 59 LEU HD21 1.0 1.8 7.17 1305 1037 A 60 TYR HEx A 59 LEU HD21 1.0 1.8 7.17 1306 1038 A 59 LEU HD21 A 58 ASP H 1.0 1.8 7.17 1307 1039 A 6 TRP HE1 A 4 ILE HB 1.0 1.8 5.41 1308 1040 A 6 TRP HZ2 A 4 ILE HB 1.0 1.8 5.30 1309 1041 A 4 ILE HB A 5 ASN H 1.0 1.8 5.61 1310 1042 A 4 ILE HD11 A 31 HIS HBy 1.0 1.8 6.37 1311 1043 A 4 ILE HD11 A 6 TRP HE1 1.0 1.8 7.11 1312 1044 A 6 TRP HZ2 A 4 ILE HD11 1.0 1.8 5.71 1313 1045 A 59 LEU HD11 A 59 LEU H 1.0 1.8 5.03 1314 1046 A 60 TYR HEx A 59 LEU HD11 1.0 1.8 6.47 1315 1046 A 60 TYR HEy A 59 LEU HD11 1.0 1.8 6.47 1316 1047 A 28 SER HA A 4 ILE HD11 1.0 1.8 5.78 1317 1048 A 4 ILE HD11 A 24 LYS HDy 1.0 1.8 7.11 1318 1049 A 60 TYR HDx A 59 LEU HD11 1.0 1.8 6.58 1319 1049 A 60 TYR HDy A 59 LEU HD11 1.0 1.8 6.58 1320 1050 A 27 PHE HDy A 4 ILE HD11 1.0 1.8 7.01 1321 1050 A 27 PHE HDx A 4 ILE HD11 1.0 1.8 7.01 1322 1051 A 56 TYR HA A 59 LEU HD11 1.0 1.8 5.75 1323 1052 A 28 SER HBx A 4 ILE HD11 1.0 1.8 6.01 1324 1052 A 4 ILE HD11 A 28 SER HBy 1.0 1.8 6.01 1325 1053 A 4 ILE HD11 A 4 ILE HA 1.0 1.8 5.54 1326 1054 A 57 PRO HDy A 59 LEU HD11 1.0 1.8 6.94 1327 1055 A 15 ALA H A 14 MET HBx 1.0 1.8 5.90 1328 1056 A 27 PHE HDy A 4 ILE HG1x 1.0 1.8 6.67 1329 1056 A 27 PHE HDx A 4 ILE HG1x 1.0 1.8 6.67 1330 1057 A 4 ILE HG1x A 5 ASN H 1.0 1.8 5.92 1331 1058 A 23 PHE HDy A 11 LEU HD21 1.0 1.8 8.82 1332 1058 A 23 PHE HDx A 11 LEU HD11 1.0 1.8 8.82 1333 1058 A 23 PHE HDx A 11 LEU HD21 1.0 1.8 8.82 1334 1058 A 23 PHE HDy A 11 LEU HD11 1.0 1.8 8.82 1335 1059 A 11 LEU HD21 A 11 LEU HA 1.0 1.8 5.92 1336 1059 A 11 LEU HA A 11 LEU HD11 1.0 1.8 5.92 1337 1060 A 6 TRP HE3 A 11 LEU HD21 1.0 1.8 7.91 1338 1060 A 6 TRP HE3 A 11 LEU HD11 1.0 1.8 7.91 1339 1061 A 23 PHE HEy A 11 LEU HD21 1.0 1.8 7.64 1340 1061 A 23 PHE HEx A 11 LEU HD11 1.0 1.8 7.64 1341 1061 A 23 PHE HEy A 11 LEU HD11 1.0 1.8 7.64 1342 1061 A 23 PHE HEx A 11 LEU HD21 1.0 1.8 7.64 1343 1062 A 11 LEU HD21 A 23 PHE HZ 1.0 1.8 7.48 1344 1062 A 11 LEU HD11 A 23 PHE HZ 1.0 1.8 7.48 1345 1063 A 6 TRP HZ3 A 11 LEU HD21 1.0 1.8 7.82 1346 1063 A 6 TRP HZ3 A 11 LEU HD11 1.0 1.8 7.82 1347 1064 A 6 TRP HE1 A 4 ILE HG21 1.0 1.8 7.11 1348 1065 A 4 ILE HG21 A 5 ASN H 1.0 1.8 5.59 1349 1066 A 4 ILE HG21 A 4 ILE H 1.0 1.8 5.87 1350 1067 A 4 ILE HG21 A 6 TRP H 1.0 1.8 6.44 1351 1068 A 6 TRP HZ2 A 4 ILE HG21 1.0 1.8 5.70 1352 1069 A 6 TRP HH2 A 4 ILE HG21 1.0 1.8 6.38 1353 1070 A 6 TRP HE3 A 4 ILE HG21 1.0 1.8 5.86 1354 1071 A 27 PHE HDx A 4 ILE HG21 1.0 1.8 6.90 1355 1071 A 27 PHE HDy A 4 ILE HG21 1.0 1.8 6.90 1356 1072 A 4 ILE HG21 A 4 ILE HA 1.0 1.8 4.92 1357 1073 A 4 ILE HD11 A 4 ILE HG21 1.0 1.8 5.75 1358 1074 A 4 ILE HG21 A 5 ASN HBx 1.0 1.8 6.70 1359 1075 A 24 LYS H A 24 LYS HGx 1.0 1.8 5.41 1360 1076 A 15 ALA HB1 A 24 LYS HGx 1.0 1.8 6.50 1361 1077 A 21 GLU HA A 24 LYS HGx 1.0 1.8 5.86 1362 1078 A 11 LEU HG B 70 HIS HD2 1.0 1.8 3.95 1363 1079 A 11 LEU HG B 70 HIS HE1 1.0 1.8 4.07 1364 1080 A 11 LEU HBy B 66 LEU HD11 1.0 1.8 6.36 1365 1081 A 14 MET HBy B 67 ILE HD11 1.0 1.8 7.43 1366 1081 A 14 MET HBx B 67 ILE HD11 1.0 1.8 7.43 1367 1082 A 14 MET HGx B 67 ILE HD11 1.0 1.8 6.97 1368 1082 A 14 MET HGy B 67 ILE HD11 1.0 1.8 6.97 1369 1083 A 14 MET HBy B 67 ILE HG1x 1.0 1.8 6.21 1370 1083 A 14 MET HBx B 67 ILE HG1x 1.0 1.8 6.21 1371 1084 A 46 PHE HDy B 74 MET HBx 1.0 1.8 5.39 1372 1084 A 46 PHE HDx B 74 MET HBx 1.0 1.8 5.39 1373 1085 A 46 PHE HDx B 77 LEU HD11 1.0 1.8 6.24 1374 1085 A 46 PHE HDy B 77 LEU HD11 1.0 1.8 6.24 1375 1086 A 27 PHE HEy B 66 LEU HBx 1.0 1.8 5.29 1376 1086 A 27 PHE HEx B 66 LEU HBx 1.0 1.8 5.29 1377 1087 A 46 PHE HEy B 74 MET HBy 1.0 1.8 5.43 1378 1087 A 46 PHE HEx B 74 MET HBy 1.0 1.8 5.43 1379 1088 A 27 PHE HDy B 66 LEU HD11 1.0 1.8 6.98 1380 1088 A 27 PHE HDx B 66 LEU HD11 1.0 1.8 6.98 1381 1089 A 49 MET HBy B 74 MET HBx 1.0 1.8 6.21 1382 1089 A 49 MET HBx B 74 MET HBx 1.0 1.8 6.21 stop_ save_ save_AMBER_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode AMBER_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 22 GLN H A 19 CYS O 1.0 1.8 2.50 2 2 A 19 CYS O A 22 GLN N 1.0 1.8 3.50 3 3 A 23 PHE H A 20 GLY O 1.0 1.8 2.60 4 4 A 20 GLY O A 23 PHE N 1.0 1.8 3.50 5 5 A 25 SER H A 21 GLU O 1.0 1.8 2.50 6 6 A 21 GLU O A 25 SER N 1.0 1.8 3.50 7 7 A 26 ALA H A 22 GLN O 1.0 1.8 2.50 8 8 A 22 GLN O A 26 ALA N 1.0 1.8 3.50 9 9 A 27 PHE H A 23 PHE O 1.0 1.8 2.50 10 10 A 23 PHE O A 27 PHE N 1.0 1.8 3.50 11 11 A 28 SER H A 24 LYS O 1.0 1.8 2.50 12 12 A 24 LYS O A 28 SER N 1.0 1.8 3.50 13 13 A 29 CYS H A 25 SER O 1.0 1.8 2.50 14 14 A 25 SER O A 29 CYS N 1.0 1.8 3.50 15 15 A 30 PHE H A 26 ALA O 1.0 1.8 2.55 16 16 A 26 ALA O A 30 PHE N 1.0 1.8 3.50 17 17 A 31 HIS H A 27 PHE O 1.0 1.8 2.50 18 18 A 27 PHE O A 31 HIS N 1.0 1.8 3.50 19 19 A 32 TYR H A 28 SER O 1.0 1.8 2.50 20 20 A 28 SER O A 32 TYR N 1.0 1.8 3.50 21 21 A 47 ARG H A 43 VAL O 1.0 1.8 2.50 22 22 A 43 VAL O A 47 ARG N 1.0 1.8 3.50 23 23 A 48 ALA H A 44 ASP O 1.0 1.8 2.50 24 24 A 44 ASP O A 48 ALA N 1.0 1.8 3.50 25 25 A 49 MET H A 45 GLN O 1.0 1.8 2.50 26 26 A 45 GLN O A 49 MET N 1.0 1.8 3.50 27 27 A 50 GLN H A 46 PHE O 1.0 1.8 2.50 28 28 A 46 PHE O A 50 GLN N 1.0 1.8 3.50 29 29 A 51 GLU H A 47 ARG O 1.0 1.8 2.50 30 30 A 47 ARG O A 51 GLU N 1.0 1.8 3.50 31 31 A 52 CYS H A 48 ALA O 1.0 1.8 2.50 32 32 A 48 ALA O A 52 CYS N 1.0 1.8 3.50 33 33 A 53 MET H A 49 MET O 1.0 1.8 2.50 34 34 A 49 MET O A 53 MET N 1.0 1.8 3.50 35 35 A 54 GLN H A 50 GLN O 1.0 1.8 2.50 36 36 A 50 GLN O A 54 GLN N 1.0 1.8 3.50 37 37 B 70 HIS H B 66 LEU O 1.0 1.8 2.50 38 38 B 66 LEU O B 70 HIS N 1.0 1.8 3.50 39 39 B 71 LYS H B 67 ILE O 1.0 1.8 2.50 40 40 B 67 ILE O B 71 LYS N 1.0 1.8 3.50 41 41 B 72 GLU H B 68 GLU O 1.0 1.8 2.50 42 42 B 68 GLU O B 72 GLU N 1.0 1.8 3.50 43 43 B 73 SER H B 69 ALA O 1.0 1.8 2.50 44 44 B 69 ALA O B 73 SER N 1.0 1.8 3.50 45 45 B 74 MET H B 70 HIS O 1.0 1.8 2.50 46 46 B 70 HIS O B 74 MET N 1.0 1.8 3.50 47 47 B 75 ARG H B 71 LYS O 1.0 1.8 2.50 48 48 B 71 LYS O B 75 ARG N 1.0 1.8 3.50 49 49 B 76 ALA H B 72 GLU O 1.0 1.8 2.50 50 50 B 72 GLU O B 76 ALA N 1.0 1.8 3.50 51 51 B 77 LEU H B 73 SER O 1.0 1.8 2.50 52 52 B 73 SER O B 77 LEU N 1.0 1.8 3.50 53 53 B 78 GLY H B 74 MET O 1.0 1.8 2.50 54 54 B 74 MET O B 78 GLY N 1.0 1.8 3.50 55 55 B 79 PHE H B 75 ARG O 1.0 1.8 2.50 56 56 B 75 ARG O B 79 PHE N 1.0 1.8 3.50 57 57 B 80 LYS H B 76 ALA O 1.0 1.8 2.50 58 58 B 76 ALA O B 80 LYS N 1.0 1.8 3.50 59 59 B 81 ILE H B 77 LEU O 1.0 1.8 2.50 60 60 B 77 LEU O B 81 ILE N 1.0 1.8 3.50 stop_ save_ save_AMBER_dihedral_4 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_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 10 CYS C A 11 LEU N A 11 LEU CA A 11 LEU C 1.0 -70.0 -30.0 PHI 2 2 A 11 LEU C A 12 GLY N A 12 GLY CA A 12 GLY C 1.0 -70.0 -30.0 PHI 3 3 A 12 GLY C A 13 GLY N A 13 GLY CA A 13 GLY C 1.0 -70.0 -30.0 PHI 4 4 A 13 GLY C A 14 MET N A 14 MET CA A 14 MET C 1.0 -70.0 -30.0 PHI 5 5 A 19 CYS C A 20 GLY N A 20 GLY CA A 20 GLY C 1.0 -70.0 -30.0 PHI 6 6 A 20 GLY C A 21 GLU N A 21 GLU CA A 21 GLU C 1.0 -70.0 -30.0 PHI 7 7 A 21 GLU C A 22 GLN N A 22 GLN CA A 22 GLN C 1.0 -70.0 -30.0 PHI 8 8 A 22 GLN C A 23 PHE N A 23 PHE CA A 23 PHE C 1.0 -70.0 -30.0 PHI 9 9 A 23 PHE C A 24 LYS N A 24 LYS CA A 24 LYS C 1.0 -70.0 -30.0 PHI 10 10 A 24 LYS C A 25 SER N A 25 SER CA A 25 SER C 1.0 -70.0 -30.0 PHI 11 11 A 25 SER C A 26 ALA N A 26 ALA CA A 26 ALA C 1.0 -70.0 -30.0 PHI 12 12 A 26 ALA C A 27 PHE N A 27 PHE CA A 27 PHE C 1.0 -70.0 -30.0 PHI 13 13 A 27 PHE C A 28 SER N A 28 SER CA A 28 SER C 1.0 -70.0 -30.0 PHI 14 14 A 28 SER C A 29 CYS N A 29 CYS CA A 29 CYS C 1.0 -70.0 -30.0 PHI 15 15 A 29 CYS C A 30 PHE N A 30 PHE CA A 30 PHE C 1.0 -70.0 -30.0 PHI 16 16 A 30 PHE C A 31 HIS N A 31 HIS CA A 31 HIS C 1.0 -70.0 -30.0 PHI 17 17 A 31 HIS C A 32 TYR N A 32 TYR CA A 32 TYR C 1.0 -70.0 -30.0 PHI 18 18 A 42 CYS C A 43 VAL N A 43 VAL CA A 43 VAL C 1.0 -70.0 -30.0 PHI 19 19 A 43 VAL C A 44 ASP N A 44 ASP CA A 44 ASP C 1.0 -70.0 -30.0 PHI 20 20 A 44 ASP C A 45 GLN N A 45 GLN CA A 45 GLN C 1.0 -70.0 -30.0 PHI 21 21 A 45 GLN C A 46 PHE N A 46 PHE CA A 46 PHE C 1.0 -70.0 -30.0 PHI 22 22 A 46 PHE C A 47 ARG N A 47 ARG CA A 47 ARG C 1.0 -70.0 -30.0 PHI 23 23 A 47 ARG C A 48 ALA N A 48 ALA CA A 48 ALA C 1.0 -70.0 -30.0 PHI 24 24 A 48 ALA C A 49 MET N A 49 MET CA A 49 MET C 1.0 -70.0 -30.0 PHI 25 25 A 49 MET C A 50 GLN N A 50 GLN CA A 50 GLN C 1.0 -70.0 -30.0 PHI 26 26 A 50 GLN C A 51 GLU N A 51 GLU CA A 51 GLU C 1.0 -70.0 -30.0 PHI 27 27 A 51 GLU C A 52 CYS N A 52 CYS CA A 52 CYS C 1.0 -80.0 -40.0 PHI 28 28 A 52 CYS C A 53 MET N A 53 MET CA A 53 MET C 1.0 -70.0 -30.0 PHI 29 29 A 53 MET C A 54 GLN N A 54 GLN CA A 54 GLN C 1.0 -70.0 -30.0 PHI 30 30 A 54 GLN C A 55 LYS N A 55 LYS CA A 55 LYS C 1.0 -70.0 -30.0 PHI 31 31 A 11 LEU N A 11 LEU CA A 11 LEU C A 12 GLY N 1.0 -60.0 -20.0 PSI 32 32 A 12 GLY N A 12 GLY CA A 12 GLY C A 13 GLY N 1.0 -60.0 -20.0 PSI 33 33 A 13 GLY N A 13 GLY CA A 13 GLY C A 14 MET N 1.0 -60.0 -20.0 PSI 34 34 A 14 MET N A 14 MET CA A 14 MET C A 15 ALA N 1.0 -60.0 -20.0 PSI 35 35 A 20 GLY N A 20 GLY CA A 20 GLY C A 21 GLU N 1.0 -60.0 -20.0 PSI 36 36 A 21 GLU N A 21 GLU CA A 21 GLU C A 22 GLN N 1.0 -60.0 -20.0 PSI 37 37 A 22 GLN N A 22 GLN CA A 22 GLN C A 23 PHE N 1.0 -60.0 -20.0 PSI 38 38 A 23 PHE N A 23 PHE CA A 23 PHE C A 24 LYS N 1.0 -60.0 -20.0 PSI 39 39 A 24 LYS N A 24 LYS CA A 24 LYS C A 25 SER N 1.0 -60.0 -20.0 PSI 40 40 A 25 SER N A 25 SER CA A 25 SER C A 26 ALA N 1.0 -60.0 -20.0 PSI 41 41 A 26 ALA N A 26 ALA CA A 26 ALA C A 27 PHE N 1.0 -60.0 -20.0 PSI 42 42 A 27 PHE N A 27 PHE CA A 27 PHE C A 28 SER N 1.0 -60.0 -20.0 PSI 43 43 A 28 SER N A 28 SER CA A 28 SER C A 29 CYS N 1.0 -60.0 -20.0 PSI 44 44 A 29 CYS N A 29 CYS CA A 29 CYS C A 30 PHE N 1.0 -60.0 -20.0 PSI 45 45 A 30 PHE N A 30 PHE CA A 30 PHE C A 31 HIS N 1.0 -60.0 -20.0 PSI 46 46 A 31 HIS N A 31 HIS CA A 31 HIS C A 32 TYR N 1.0 -60.0 -20.0 PSI 47 47 A 32 TYR N A 32 TYR CA A 32 TYR C A 33 SER N 1.0 -60.0 -20.0 PSI 48 48 A 43 VAL N A 43 VAL CA A 43 VAL C A 44 ASP N 1.0 -60.0 -20.0 PSI 49 49 A 44 ASP N A 44 ASP CA A 44 ASP C A 45 GLN N 1.0 -60.0 -20.0 PSI 50 50 A 45 GLN N A 45 GLN CA A 45 GLN C A 46 PHE N 1.0 -60.0 -20.0 PSI 51 51 A 46 PHE N A 46 PHE CA A 46 PHE C A 47 ARG N 1.0 -60.0 -20.0 PSI 52 52 A 47 ARG N A 47 ARG CA A 47 ARG C A 48 ALA N 1.0 -60.0 -20.0 PSI 53 53 A 48 ALA N A 48 ALA CA A 48 ALA C A 49 MET N 1.0 -60.0 -20.0 PSI 54 54 A 49 MET N A 49 MET CA A 49 MET C A 50 GLN N 1.0 -60.0 -20.0 PSI 55 55 A 50 GLN N A 50 GLN CA A 50 GLN C A 51 GLU N 1.0 -60.0 -20.0 PSI 56 56 A 51 GLU N A 51 GLU CA A 51 GLU C A 52 CYS N 1.0 -60.0 -20.0 PSI 57 57 A 52 CYS N A 52 CYS CA A 52 CYS C A 53 MET N 1.0 -60.0 -20.0 PSI 58 58 A 53 MET N A 53 MET CA A 53 MET C A 54 GLN N 1.0 -60.0 -20.0 PSI 59 59 A 54 GLN N A 54 GLN CA A 54 GLN C A 55 LYS N 1.0 -60.0 -20.0 PSI 60 60 A 55 LYS N A 55 LYS CA A 55 LYS C A 56 TYR N 1.0 -60.0 -20.0 PSI 61 61 B 64 GLY C B 65 HIS N B 65 HIS CA B 65 HIS C 1.0 -70.0 -30.0 PHI 62 62 B 65 HIS C B 66 LEU N B 66 LEU CA B 66 LEU C 1.0 -70.0 -30.0 PHI 63 63 B 66 LEU C B 67 ILE N B 67 ILE CA B 67 ILE C 1.0 -70.0 -30.0 PHI 64 64 B 67 ILE C B 68 GLU N B 68 GLU CA B 68 GLU C 1.0 -70.0 -30.0 PHI 65 65 B 68 GLU C B 69 ALA N B 69 ALA CA B 69 ALA C 1.0 -70.0 -30.0 PHI 66 66 B 69 ALA C B 70 HIS N B 70 HIS CA B 70 HIS C 1.0 -70.0 -30.0 PHI 67 67 B 70 HIS C B 71 LYS N B 71 LYS CA B 71 LYS C 1.0 -70.0 -30.0 PHI 68 68 B 71 LYS C B 72 GLU N B 72 GLU CA B 72 GLU C 1.0 -70.0 -30.0 PHI 69 69 B 72 GLU C B 73 SER N B 73 SER CA B 73 SER C 1.0 -70.0 -30.0 PHI 70 70 B 73 SER C B 74 MET N B 74 MET CA B 74 MET C 1.0 -70.0 -30.0 PHI 71 71 B 74 MET C B 75 ARG N B 75 ARG CA B 75 ARG C 1.0 -70.0 -30.0 PHI 72 72 B 75 ARG C B 76 ALA N B 76 ALA CA B 76 ALA C 1.0 -70.0 -30.0 PHI 73 73 B 76 ALA C B 77 LEU N B 77 LEU CA B 77 LEU C 1.0 -70.0 -30.0 PHI 74 74 B 77 LEU C B 78 GLY N B 78 GLY CA B 78 GLY C 1.0 -70.0 -30.0 PHI 75 75 B 78 GLY C B 79 PHE N B 79 PHE CA B 79 PHE C 1.0 -70.0 -30.0 PHI 76 76 B 79 PHE C B 80 LYS N B 80 LYS CA B 80 LYS C 1.0 -70.0 -30.0 PHI 77 77 B 65 HIS N B 65 HIS CA B 65 HIS C B 66 LEU N 1.0 -60.0 -20.0 PSI 78 78 B 66 LEU N B 66 LEU CA B 66 LEU C B 67 ILE N 1.0 -60.0 -20.0 PSI 79 79 B 67 ILE N B 67 ILE CA B 67 ILE C B 68 GLU N 1.0 -60.0 -20.0 PSI 80 80 B 68 GLU N B 68 GLU CA B 68 GLU C B 69 ALA N 1.0 -60.0 -20.0 PSI 81 81 B 69 ALA N B 69 ALA CA B 69 ALA C B 70 HIS N 1.0 -60.0 -20.0 PSI 82 82 B 70 HIS N B 70 HIS CA B 70 HIS C B 71 LYS N 1.0 -60.0 -20.0 PSI 83 83 B 71 LYS N B 71 LYS CA B 71 LYS C B 72 GLU N 1.0 -60.0 -20.0 PSI 84 84 B 72 GLU N B 72 GLU CA B 72 GLU C B 73 SER N 1.0 -60.0 -20.0 PSI 85 85 B 73 SER N B 73 SER CA B 73 SER C B 74 MET N 1.0 -60.0 -20.0 PSI 86 86 B 74 MET N B 74 MET CA B 74 MET C B 75 ARG N 1.0 -60.0 -20.0 PSI 87 87 B 75 ARG N B 75 ARG CA B 75 ARG C B 76 ALA N 1.0 -60.0 -20.0 PSI 88 88 B 76 ALA N B 76 ALA CA B 76 ALA C B 77 LEU N 1.0 -60.0 -20.0 PSI 89 89 B 77 LEU N B 77 LEU CA B 77 LEU C B 78 GLY N 1.0 -60.0 -20.0 PSI 90 90 B 78 GLY N B 78 GLY CA B 78 GLY C B 79 PHE N 1.0 -60.0 -20.0 PSI 91 91 B 79 PHE N B 79 PHE CA B 79 PHE C B 80 LYS N 1.0 -60.0 -20.0 PSI 92 92 B 80 LYS N B 80 LYS CA B 80 LYS C B 81 ILE N 1.0 -60.0 -20.0 PSI stop_ save_ save_AMBER_dihedral_6 _nef_dihedral_restraint_list.sf_category nef_dihedral_restraint_list _nef_dihedral_restraint_list.sf_framecode AMBER_dihedral_6 _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 2 GLY CA A 2 GLY N A 1 ASN C A 1 ASN CA 1.0 170.0 190.0 OMEGA stop_ save_