data_nef_c18342_4asw save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 18341 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 1 MET . . . 2 A 2 ALA . . . 3 A 3 HIS . . . 4 A 4 HIS . . . 5 A 5 HIS . . . 6 A 6 HIS . . . 7 A 7 HIS . . . 8 A 8 HIS . . . 9 A 9 VAL . . . 10 A 10 ASP . . . 11 A 11 ASP . . . 12 A 12 ASP . . . 13 A 13 ASP . . . 14 A 14 MET . . . 15 A 15 MET . . . 16 A 16 SER . . . 17 A 17 ALA . . . 18 A 18 SER . . . 19 A 19 LYS . . . 20 A 20 GLU . . . 21 A 21 GLU . . . 22 A 22 ILE . . . 23 A 23 ALA . . . 24 A 24 ALA . . . 25 A 25 LEU . . . 26 A 26 ILE . . . 27 A 27 VAL . . . 28 A 28 ASN . . . 29 A 29 TYR . . . 30 A 30 PHE . . . 31 A 31 SER . . . 32 A 32 SER . . . 33 A 33 ILE . . . 34 A 34 VAL . . . 35 A 35 GLU . . . 36 A 36 LYS . . . 37 A 37 LYS . . . 38 A 38 GLU . . . 39 A 39 ILE . . . 40 A 40 SER . . . 41 A 41 GLU . . . 42 A 42 ASP . . . 43 A 43 GLY . . . 44 A 44 ALA . . . 45 A 45 ASP . . . 46 A 46 SER . . . 47 A 47 LEU . . . 48 A 48 ASN . . . 49 A 49 VAL . . . 50 A 50 ALA . . . 51 A 51 MET . . . 52 A 52 ASP . . . 53 A 53 CYS . . . 54 A 54 ILE . . . 55 A 55 SER . . . 56 A 56 GLU . . . 57 A 57 ALA . . . 58 A 58 PHE . . . 59 A 59 GLY . . . 60 A 60 PHE . . . 61 A 61 GLU . . . 62 A 62 ARG . . . 63 A 63 GLU . . . 64 A 64 ALA . . . 65 A 65 VAL . . . 66 A 66 SER . . . 67 A 67 GLY . . . 68 A 68 ILE . . . 69 A 69 LEU . . . 70 A 70 GLY . . . 71 A 71 LYS . . . 72 A 72 SER . . . 73 A 73 GLU . . . 74 A 74 PHE . . . 75 A 75 LYS . . . 76 A 76 GLY . . . 77 A 77 GLN . . . 78 A 78 HIS . . . 79 A 79 LEU . . . 80 A 80 ALA . . . 81 A 81 ASP . . . 82 A 82 ILE . . . 83 A 83 LEU . . . 84 A 84 ASN . . . 85 A 85 SER . . . 86 A 86 ALA . . . 87 A 87 SER . . . 88 A 88 ARG . . . 89 A 89 VAL . . . 90 A 90 PRO . . . 91 A 91 GLU . . . 92 A 92 SER . . . 93 B 1 MET . . . 94 B 2 ALA . . . 95 B 3 HIS . . . 96 B 4 HIS . . . 97 B 5 HIS . . . 98 B 6 HIS . . . 99 B 7 HIS . . . 100 B 8 HIS . . . 101 B 9 VAL . . . 102 B 10 ASP . . . 103 B 11 ASP . . . 104 B 12 ASP . . . 105 B 13 ASP . . . 106 B 14 MET . . . 107 B 15 MET . . . 108 B 16 SER . . . 109 B 17 ALA . . . 110 B 18 SER . . . 111 B 19 LYS . . . 112 B 20 GLU . . . 113 B 21 GLU . . . 114 B 22 ILE . . . 115 B 23 ALA . . . 116 B 24 ALA . . . 117 B 25 LEU . . . 118 B 26 ILE . . . 119 B 27 VAL . . . 120 B 28 ASN . . . 121 B 29 TYR . . . 122 B 30 PHE . . . 123 B 31 SER . . . 124 B 32 SER . . . 125 B 33 ILE . . . 126 B 34 VAL . . . 127 B 35 GLU . . . 128 B 36 LYS . . . 129 B 37 LYS . . . 130 B 38 GLU . . . 131 B 39 ILE . . . 132 B 40 SER . . . 133 B 41 GLU . . . 134 B 42 ASP . . . 135 B 43 GLY . . . 136 B 44 ALA . . . 137 B 45 ASP . . . 138 B 46 SER . . . 139 B 47 LEU . . . 140 B 48 ASN . . . 141 B 49 VAL . . . 142 B 50 ALA . . . 143 B 51 MET . . . 144 B 52 ASP . . . 145 B 53 CYS . . . 146 B 54 ILE . . . 147 B 55 SER . . . 148 B 56 GLU . . . 149 B 57 ALA . . . 150 B 58 PHE . . . 151 B 59 GLY . . . 152 B 60 PHE . . . 153 B 61 GLU . . . 154 B 62 ARG . . . 155 B 63 GLU . . . 156 B 64 ALA . . . 157 B 65 VAL . . . 158 B 66 SER . . . 159 B 67 GLY . . . 160 B 68 ILE . . . 161 B 69 LEU . . . 162 B 70 GLY . . . 163 B 71 LYS . . . 164 B 72 SER . . . 165 B 73 GLU . . . 166 B 74 PHE . . . 167 B 75 LYS . . . 168 B 76 GLY . . . 169 B 77 GLN . . . 170 B 78 HIS . . . 171 B 79 LEU . . . 172 B 80 ALA . . . 173 B 81 ASP . . . 174 B 82 ILE . . . 175 B 83 LEU . . . 176 B 84 ASN . . . 177 B 85 SER . . . 178 B 86 ALA . . . 179 B 87 SER . . . 180 B 88 ARG . . . 181 B 89 VAL . . . 182 B 90 PRO . . . 183 B 91 GLU . . . 184 B 92 SER . . . 185 C 16 ASP start . . 186 C 17 ASN middle . . 187 C 18 ALA middle . . 188 C 19 ALA middle . . 189 C 20 VAL middle . . 190 C 21 HIS middle . . 191 C 22 LEU middle . . 192 C 23 THR middle . . 193 C 24 LEU middle . . 194 C 25 LYS middle . . 195 C 26 LYS middle . . 196 C 27 ILE middle . . 197 C 28 GLN middle . . 198 C 29 ALA middle . . 199 C 30 PRO middle . false 200 C 31 LYS middle . . 201 C 32 PHE middle . . 202 C 33 SER middle . . 203 C 34 ILE middle . . 204 C 35 GLU middle . . 205 C 36 HIS middle . . 206 C 37 ASP middle . . 207 C 38 PHE middle . . 208 C 39 SER middle . . 209 C 40 PRO middle . false 210 C 41 SER middle . . 211 C 42 ASP middle . . 212 C 43 THR middle . . 213 C 44 ILE middle . true 214 C 45 LEU middle . . 215 C 46 GLN middle . . 216 C 47 ILE middle . . 217 C 48 LYS middle . . 218 C 49 GLN middle . . 219 C 50 HIS middle . . 220 C 51 LEU middle . . 221 C 52 ILE middle . . 222 C 53 SER middle . . 223 C 54 GLU middle . . 224 C 55 GLU middle . . 225 C 56 LYS middle . . 226 C 57 ALA middle . . 227 C 58 SER middle . . 228 C 59 HIS middle . . 229 C 60 ILE middle . . 230 C 61 SER middle . . 231 C 62 GLU middle . . 232 C 63 ILE middle . . 233 C 64 LYS middle . . 234 C 65 LEU middle . . 235 C 66 LEU middle . . 236 C 67 LEU middle . . 237 C 68 LYS middle . . 238 C 69 GLY middle . false 239 C 70 LYS middle . . 240 C 71 VAL middle . . 241 C 72 LEU middle . . 242 C 73 HIS middle . . 243 C 74 ASP middle . . 244 C 75 ASN middle . . 245 C 76 LEU middle . . 246 C 77 PHE middle . . 247 C 78 LEU middle . . 248 C 79 SER middle . . 249 C 80 ASP middle . . 250 C 81 LEU middle . . 251 C 82 LYS middle . . 252 C 83 VAL middle . . 253 C 84 THR middle . . 254 C 85 PRO middle . false 255 C 86 ALA middle . . 256 C 87 ASN middle . . 257 C 88 SER middle . . 258 C 89 THR middle . . 259 C 90 ILE middle . . 260 C 91 THR middle . . 261 C 92 VAL middle . . 262 C 93 MET middle . . 263 C 94 ILE middle . . 264 C 95 LYS middle . . 265 C 96 PRO middle . false 266 C 97 ASN middle . . 267 C 98 PRO end . false stop_ save_ save_assignments_get5_ubl_minus1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assignments_get5_ubl_minus1 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 8 HIS HA H 1 4.594 0.03 A 8 HIS HBx H 1 3.039 0.03 A 8 HIS HBy H 1 3.099 0.03 A 8 HIS C C 13 174.448 0.50 A 8 HIS CA C 13 55.999 0.50 A 8 HIS CB C 13 29.733 0.50 A 9 VAL H H 1 8.079 0.03 A 9 VAL HA H 1 4.052 0.03 A 9 VAL HB H 1 2.016 0.03 A 9 VAL HG1% H 1 0.866 0.03 A 9 VAL HG2% H 1 0.866 0.03 A 9 VAL C C 13 175.538 0.50 A 9 VAL CA C 13 62.487 0.50 A 9 VAL CB C 13 32.860 0.50 A 9 VAL CGy C 13 21.339 0.50 A 9 VAL CGx C 13 20.436 0.50 A 9 VAL N N 15 121.725 0.20 A 10 ASP H H 1 8.377 0.03 A 10 ASP C C 13 176.021 0.50 A 10 ASP CA C 13 54.592 0.50 A 10 ASP CB C 13 41.303 0.50 A 10 ASP N N 15 122.997 0.20 A 11 ASP HA H 1 4.524 0.03 A 11 ASP HBy H 1 2.718 0.03 A 11 ASP HBx H 1 2.608 0.03 A 11 ASP C C 13 176.021 0.50 A 11 ASP CA C 13 54.670 0.50 A 11 ASP CB C 13 41.224 0.50 A 12 ASP H H 1 8.138 0.03 A 12 ASP HA H 1 4.554 0.03 A 12 ASP HBy H 1 2.698 0.03 A 12 ASP HBx H 1 2.588 0.03 A 12 ASP C C 13 176.128 0.50 A 12 ASP CA C 13 54.670 0.50 A 12 ASP CB C 13 41.224 0.50 A 12 ASP N N 15 120.096 0.20 A 13 ASP H H 1 8.200 0.03 A 13 ASP HA H 1 4.534 0.03 A 13 ASP HBy H 1 2.708 0.03 A 13 ASP HBx H 1 2.608 0.03 A 13 ASP C C 13 176.146 0.50 A 13 ASP CA C 13 54.748 0.50 A 13 ASP CB C 13 41.146 0.50 A 13 ASP N N 15 120.157 0.20 A 14 LYS H H 1 8.025 0.03 A 14 LYS HA H 1 4.253 0.03 A 14 LYS HBx H 1 1.755 0.03 A 14 LYS HBy H 1 1.835 0.03 A 14 LYS HDx H 1 1.654 0.03 A 14 LYS HDy H 1 1.654 0.03 A 14 LYS HEx H 1 2.969 0.03 A 14 LYS HEy H 1 2.969 0.03 A 14 LYS HGx H 1 1.394 0.03 A 14 LYS HGy H 1 1.414 0.03 A 14 LYS C C 13 176.771 0.50 A 14 LYS CA C 13 56.555 0.50 A 14 LYS CB C 13 32.877 0.50 A 14 LYS CD C 13 28.864 0.50 A 14 LYS CE C 13 42.107 0.50 A 14 LYS CG C 13 24.650 0.50 A 14 LYS N N 15 120.572 0.20 A 15 MET H H 1 8.211 0.03 A 15 MET HA H 1 4.403 0.03 A 15 MET HBy H 1 2.056 0.03 A 15 MET HBx H 1 1.986 0.03 A 15 MET HE% H 1 0.852 0.03 A 15 MET HGx H 1 2.484 0.03 A 15 MET HGy H 1 2.568 0.03 A 15 MET C C 13 176.021 0.50 A 15 MET CA C 13 55.921 0.50 A 15 MET CB C 13 32.704 0.50 A 15 MET CE C 13 16.824 0.50 A 15 MET CG C 13 32.175 0.50 A 15 MET N N 15 120.496 0.20 C 16 ASP H H 1 8.258 0.03 C 16 ASP CA C 13 54.436 0.50 C 16 ASP CB C 13 41.224 0.50 C 16 ASP N N 15 121.316 0.20 C 17 ASN HA H 1 4.664 0.03 C 17 ASN HBy H 1 2.798 0.03 C 17 ASN HBx H 1 2.718 0.03 C 17 ASN C C 13 174.680 0.50 C 17 ASN CA C 13 53.107 0.50 C 17 ASN CB C 13 39.036 0.50 C 18 ALA H H 1 8.003 0.03 C 18 ALA HA H 1 4.263 0.03 C 18 ALA HB% H 1 1.353 0.03 C 18 ALA C C 13 176.485 0.50 C 18 ALA CA C 13 52.325 0.50 C 18 ALA CB C 13 19.414 0.50 C 18 ALA N N 15 123.877 0.20 C 19 ALA H H 1 7.875 0.03 C 19 ALA HA H 1 4.484 0.03 C 19 ALA HB% H 1 1.223 0.03 C 19 ALA C C 13 176.825 0.50 C 19 ALA CA C 13 52.090 0.50 C 19 ALA CB C 13 20.587 0.50 C 19 ALA N N 15 121.043 0.20 C 20 VAL H H 1 8.925 0.03 C 20 VAL HA H 1 4.102 0.03 C 20 VAL HB H 1 1.845 0.03 C 20 VAL HG1% H 1 0.782 0.03 C 20 VAL HG2% H 1 0.822 0.03 C 20 VAL C C 13 174.412 0.50 C 20 VAL CA C 13 61.170 0.50 C 20 VAL CB C 13 32.860 0.50 C 20 VAL CGx C 13 20.536 0.50 C 20 VAL CGy C 13 21.038 0.50 C 20 VAL N N 15 121.198 0.20 C 21 HIS H H 1 8.734 0.03 C 21 HIS HA H 1 5.005 0.03 C 21 HIS HBy H 1 3.300 0.03 C 21 HIS HBx H 1 3.019 0.03 C 21 HIS C C 13 173.858 0.50 C 21 HIS CA C 13 56.077 0.50 C 21 HIS CB C 13 28.639 0.50 C 21 HIS N N 15 127.772 0.20 C 22 LEU H H 1 8.168 0.03 C 22 LEU HA H 1 5.146 0.03 C 22 LEU HBy H 1 1.705 0.03 C 22 LEU HBx H 1 1.333 0.03 C 22 LEU HD1% H 1 0.822 0.03 C 22 LEU HD2% H 1 0.641 0.03 C 22 LEU HG H 1 1.474 0.03 C 22 LEU C C 13 175.663 0.50 C 22 LEU CA C 13 53.445 0.50 C 22 LEU CB C 13 46.697 0.50 C 22 LEU CDx C 13 24.048 0.50 C 22 LEU CDy C 13 26.556 0.50 C 22 LEU CG C 13 28.462 0.50 C 22 LEU N N 15 125.604 0.20 C 23 THR H H 1 8.402 0.03 C 23 THR HA H 1 4.855 0.03 C 23 THR HB H 1 4.082 0.03 C 23 THR HG2% H 1 1.113 0.03 C 23 THR C C 13 172.965 0.50 C 23 THR CA C 13 62.253 0.50 C 23 THR CB C 13 69.497 0.50 C 23 THR CG2 C 13 21.540 0.50 C 23 THR N N 15 116.787 0.20 C 24 LEU H H 1 9.736 0.03 C 24 LEU HA H 1 5.066 0.03 C 24 LEU HBy H 1 2.232 0.03 C 24 LEU HBx H 1 1.203 0.03 C 24 LEU HDx% H 1 0.960 0.03 C 24 LEU HD2% H 1 0.782 0.03 C 24 LEU HG H 1 1.773 0.03 C 24 LEU C C 13 174.377 0.50 C 24 LEU CA C 13 52.737 0.50 C 24 LEU CB C 13 41.606 0.50 C 24 LEU CDy C 13 25.849 0.50 C 24 LEU CDx C 13 24.544 0.50 C 24 LEU CG C 13 26.957 0.50 C 24 LEU N N 15 128.157 0.20 C 25 LYS H H 1 8.798 0.03 C 25 LYS HA H 1 5.086 0.03 C 25 LYS HBy H 1 1.705 0.03 C 25 LYS HBx H 1 1.454 0.03 C 25 LYS HDy H 1 1.596 0.03 C 25 LYS HDx H 1 1.590 0.03 C 25 LYS HEx H 1 2.878 0.03 C 25 LYS HEy H 1 2.878 0.03 C 25 LYS HGx H 1 1.184 0.03 C 25 LYS HGy H 1 1.374 0.03 C 25 LYS C C 13 173.537 0.50 C 25 LYS CA C 13 55.145 0.50 C 25 LYS CB C 13 36.612 0.50 C 25 LYS CD C 13 29.767 0.50 C 25 LYS CE C 13 41.907 0.50 C 25 LYS CG C 13 25.252 0.50 C 25 LYS N N 15 124.534 0.20 C 26 LYS H H 1 8.281 0.03 C 26 LYS HA H 1 4.785 0.03 C 26 LYS HBy H 1 0.681 0.03 C 26 LYS HBx H 1 0.370 0.03 C 26 LYS HDx H 1 1.520 0.03 C 26 LYS HDy H 1 1.710 0.03 C 26 LYS HEy H 1 3.129 0.03 C 26 LYS HEx H 1 3.099 0.03 C 26 LYS HGx H 1 1.353 0.03 C 26 LYS HGy H 1 1.540 0.03 C 26 LYS C C 13 176.539 0.50 C 26 LYS CA C 13 55.061 0.50 C 26 LYS CB C 13 34.582 0.50 C 26 LYS CD C 13 30.770 0.50 C 26 LYS CE C 13 42.709 0.50 C 26 LYS CG C 13 24.850 0.50 C 26 LYS N N 15 129.202 0.20 C 27 ILE H H 1 8.274 0.03 C 27 ILE HA H 1 4.082 0.03 C 27 ILE HB H 1 1.965 0.03 C 27 ILE HD1% H 1 0.848 0.03 C 27 ILE HG12 H 1 1.364 0.03 C 27 ILE HG13 H 1 1.133 0.03 C 27 ILE HG2% H 1 0.857 0.03 C 27 ILE C C 13 175.842 0.50 C 27 ILE CA C 13 62.274 0.50 C 27 ILE CB C 13 38.645 0.50 C 27 ILE CD1 C 13 13.212 0.50 C 27 ILE CG1 C 13 27.058 0.50 C 27 ILE CG2 C 13 18.128 0.50 C 27 ILE N N 15 123.283 0.20 C 28 GLN H H 1 7.262 0.03 C 28 GLN HA H 1 4.323 0.03 C 28 GLN HBx H 1 1.955 0.03 C 28 GLN HBy H 1 1.986 0.03 C 28 GLN HGx H 1 2.397 0.03 C 28 GLN HGy H 1 2.456 0.03 C 28 GLN C C 13 175.288 0.50 C 28 GLN CA C 13 55.250 0.50 C 28 GLN CB C 13 31.673 0.50 C 28 GLN CG C 13 33.980 0.50 C 28 GLN N N 15 120.862 0.20 C 29 ALA H H 1 8.615 0.03 C 29 ALA HA H 1 4.330 0.03 C 29 ALA HB% H 1 1.380 0.03 C 29 ALA C C 13 176.610 0.50 C 29 ALA CA C 13 51.230 0.50 C 29 ALA CB C 13 17.622 0.50 C 29 ALA N N 15 126.961 0.20 C 30 PRO HA H 1 4.604 0.03 C 30 PRO HBx H 1 2.236 0.03 C 30 PRO HBy H 1 2.417 0.03 C 30 PRO HDy H 1 3.625 0.03 C 30 PRO HDx H 1 3.532 0.03 C 30 PRO HGy H 1 2.194 0.03 C 30 PRO HGx H 1 1.961 0.03 C 30 PRO C C 13 176.021 0.50 C 30 PRO CA C 13 62.331 0.50 C 30 PRO CB C 13 33.407 0.50 C 30 PRO CD C 13 51.037 0.50 C 30 PRO CG C 13 25.452 0.50 C 31 LYS H H 1 8.542 0.03 C 31 LYS HA H 1 3.992 0.03 C 31 LYS HBy H 1 1.785 0.03 C 31 LYS HBx H 1 1.745 0.03 C 31 LYS HDx H 1 1.652 0.03 C 31 LYS HDy H 1 2.136 0.03 C 31 LYS HEx H 1 2.999 0.03 C 31 LYS HEy H 1 2.999 0.03 C 31 LYS HGx H 1 1.223 0.03 C 31 LYS HGy H 1 1.233 0.03 C 31 LYS C C 13 177.432 0.50 C 31 LYS CA C 13 56.859 0.50 C 31 LYS CB C 13 34.683 0.50 C 31 LYS CD C 13 29.666 0.50 C 31 LYS CE C 13 42.107 0.50 C 31 LYS CG C 13 25.452 0.50 C 31 LYS N N 15 126.302 0.20 C 32 PHE H H 1 7.646 0.03 C 32 PHE HA H 1 4.915 0.03 C 32 PHE HBy H 1 3.370 0.03 C 32 PHE HBx H 1 3.210 0.03 C 32 PHE C C 13 174.055 0.50 C 32 PHE CA C 13 57.797 0.50 C 32 PHE CB C 13 41.104 0.50 C 32 PHE N N 15 111.984 0.20 C 33 SER H H 1 8.708 0.03 C 33 SER HA H 1 5.346 0.03 C 33 SER HBy H 1 3.842 0.03 C 33 SER HBx H 1 3.641 0.03 C 33 SER C C 13 173.733 0.50 C 33 SER CA C 13 57.797 0.50 C 33 SER CB C 13 63.894 0.50 C 33 SER N N 15 115.901 0.20 C 34 ILE H H 1 9.131 0.03 C 34 ILE HA H 1 4.825 0.03 C 34 ILE HB H 1 2.006 0.03 C 34 ILE HD1% H 1 0.586 0.03 C 34 ILE HG12 H 1 1.540 0.03 C 34 ILE HG13 H 1 1.278 0.03 C 34 ILE HG2% H 1 0.960 0.03 C 34 ILE C C 13 173.966 0.50 C 34 ILE CA C 13 59.908 0.50 C 34 ILE CB C 13 42.241 0.50 C 34 ILE CD1 C 13 13.613 0.50 C 34 ILE CG1 C 13 26.651 0.50 C 34 ILE CG2 C 13 17.526 0.50 C 34 ILE N N 15 124.264 0.20 C 35 GLU H H 1 8.750 0.03 C 35 GLU HA H 1 5.487 0.03 C 35 GLU HBx H 1 1.855 0.03 C 35 GLU HBy H 1 1.865 0.03 C 35 GLU HGy H 1 2.487 0.03 C 35 GLU HGx H 1 2.246 0.03 C 35 GLU C C 13 176.307 0.50 C 35 GLU CA C 13 54.279 0.50 C 35 GLU CB C 13 33.016 0.50 C 35 GLU CG C 13 36.489 0.50 C 35 GLU N N 15 123.067 0.20 C 36 HIS H H 1 8.541 0.03 C 36 HIS HA H 1 4.373 0.03 C 36 HIS HBx H 1 2.236 0.03 C 36 HIS HBy H 1 2.618 0.03 C 36 HIS C C 13 170.713 0.50 C 36 HIS CA C 13 55.686 0.50 C 36 HIS CB C 13 31.844 0.50 C 36 HIS N N 15 119.590 0.20 C 37 ASP H H 1 7.146 0.03 C 37 ASP HA H 1 5.176 0.03 C 37 ASP HBy H 1 2.216 0.03 C 37 ASP HBx H 1 2.146 0.03 C 37 ASP C C 13 174.412 0.50 C 37 ASP CA C 13 53.144 0.50 C 37 ASP CB C 13 41.693 0.50 C 37 ASP N N 15 123.926 0.20 C 38 PHE H H 1 8.749 0.03 C 38 PHE HA H 1 4.634 0.03 C 38 PHE HBx H 1 2.417 0.03 C 38 PHE HBy H 1 3.601 0.03 C 38 PHE C C 13 174.537 0.50 C 38 PHE CA C 13 57.093 0.50 C 38 PHE CB C 13 42.944 0.50 C 38 PHE N N 15 121.152 0.20 C 39 SER H H 1 9.050 0.03 C 39 SER HA H 1 5.050 0.03 C 39 SER HBy H 1 3.950 0.03 C 39 SER HBx H 1 3.820 0.03 C 39 SER C C 13 174.806 0.50 C 39 SER CA C 13 55.686 0.50 C 39 SER CB C 13 63.973 0.50 C 39 SER N N 15 117.525 0.20 C 40 PRO HA H 1 4.203 0.03 C 40 PRO HBx H 1 2.016 0.03 C 40 PRO HBy H 1 2.297 0.03 C 40 PRO HDx H 1 3.803 0.03 C 40 PRO HDy H 1 3.925 0.03 C 40 PRO HGy H 1 2.073 0.03 C 40 PRO HGx H 1 1.923 0.03 C 40 PRO C C 13 175.628 0.50 C 40 PRO CA C 13 65.145 0.50 C 40 PRO CB C 13 31.766 0.50 C 40 PRO CD C 13 50.936 0.50 C 40 PRO CG C 13 27.860 0.50 C 41 SER H H 1 7.591 0.03 C 41 SER HA H 1 4.554 0.03 C 41 SER HBy H 1 4.022 0.03 C 41 SER HBx H 1 3.781 0.03 C 41 SER C C 13 175.091 0.50 C 41 SER CA C 13 57.953 0.50 C 41 SER CB C 13 63.504 0.50 C 41 SER N N 15 107.077 0.20 C 42 ASP H H 1 7.764 0.03 C 42 ASP HA H 1 4.945 0.03 C 42 ASP HBy H 1 3.220 0.03 C 42 ASP HBx H 1 2.678 0.03 C 42 ASP C C 13 175.592 0.50 C 42 ASP CA C 13 55.608 0.50 C 42 ASP CB C 13 41.928 0.50 C 42 ASP N N 15 122.456 0.20 C 43 THR H H 1 8.420 0.03 C 43 THR HA H 1 5.397 0.03 C 43 THR HB H 1 4.363 0.03 C 43 THR HG2% H 1 0.711 0.03 C 43 THR C C 13 176.914 0.50 C 43 THR CA C 13 59.517 0.50 C 43 THR CB C 13 73.353 0.50 C 43 THR CG2 C 13 21.640 0.50 C 43 THR N N 15 108.251 0.20 C 44 ILE H H 1 7.922 0.03 C 44 ILE HA H 1 3.490 0.03 C 44 ILE HB H 1 2.427 0.03 C 44 ILE HD1% H 1 0.520 0.03 C 44 ILE HG12 H 1 1.371 0.03 C 44 ILE HG13 H 1 1.680 0.03 C 44 ILE HG2% H 1 0.707 0.03 C 44 ILE C C 13 178.487 0.50 C 44 ILE CA C 13 61.471 0.50 C 44 ILE CB C 13 34.736 0.50 C 44 ILE CD1 C 13 9.801 0.50 C 44 ILE CG1 C 13 27.559 0.50 C 44 ILE CG2 C 13 17.727 0.50 C 44 ILE N N 15 121.004 0.20 C 45 LEU H H 1 8.166 0.03 C 45 LEU HA H 1 3.832 0.03 C 45 LEU HBy H 1 1.685 0.03 C 45 LEU HBx H 1 1.414 0.03 C 45 LEU HD1% H 1 0.904 0.03 C 45 LEU HD2% H 1 0.829 0.03 C 45 LEU HG H 1 1.465 0.03 C 45 LEU C C 13 178.523 0.50 C 45 LEU CA C 13 58.762 0.50 C 45 LEU CB C 13 42.084 0.50 C 45 LEU CDx C 13 23.747 0.50 C 45 LEU CDy C 13 25.252 0.50 C 45 LEU CG C 13 26.957 0.50 C 45 LEU N N 15 121.718 0.20 C 46 GLN H H 1 7.556 0.03 C 46 GLN HA H 1 4.283 0.03 C 46 GLN HBy H 1 2.648 0.03 C 46 GLN HBx H 1 2.166 0.03 C 46 GLN HGx H 1 2.497 0.03 C 46 GLN HGy H 1 2.690 0.03 C 46 GLN C C 13 179.988 0.50 C 46 GLN CA C 13 60.267 0.50 C 46 GLN CB C 13 28.873 0.50 C 46 GLN CG C 13 36.990 0.50 C 46 GLN N N 15 116.758 0.20 C 47 ILE H H 1 7.665 0.03 C 47 ILE HA H 1 3.635 0.03 C 47 ILE HB H 1 1.895 0.03 C 47 ILE HD1% H 1 0.240 0.03 C 47 ILE HG12 H 1 -0.256 0.03 C 47 ILE HG13 H 1 1.091 0.03 C 47 ILE HG2% H 1 0.642 0.03 C 47 ILE C C 13 178.237 0.50 C 47 ILE CA C 13 60.468 0.50 C 47 ILE CB C 13 36.589 0.50 C 47 ILE CD1 C 13 13.513 0.50 C 47 ILE CG1 C 13 25.854 0.50 C 47 ILE CG2 C 13 19.031 0.50 C 47 ILE N N 15 121.514 0.20 C 48 LYS H H 1 7.626 0.03 C 48 LYS HA H 1 3.791 0.03 C 48 LYS HBx H 1 1.695 0.03 C 48 LYS HBy H 1 2.236 0.03 C 48 LYS HEx H 1 3.036 0.03 C 48 LYS HEy H 1 3.109 0.03 C 48 LYS C C 13 178.111 0.50 C 48 LYS CA C 13 61.571 0.50 C 48 LYS CB C 13 32.787 0.50 C 48 LYS CD C 13 30.470 0.50 C 48 LYS CE C 13 42.910 0.50 C 48 LYS CG C 13 28.160 0.50 C 48 LYS N N 15 118.986 0.20 C 49 GLN H H 1 8.543 0.03 C 49 GLN HA H 1 3.822 0.03 C 49 GLN HBx H 1 2.046 0.03 C 49 GLN HBy H 1 2.277 0.03 C 49 GLN HGy H 1 2.507 0.03 C 49 GLN HGx H 1 2.377 0.03 C 49 GLN C C 13 178.826 0.50 C 49 GLN CA C 13 59.126 0.50 C 49 GLN CB C 13 27.660 0.50 C 49 GLN CG C 13 34.081 0.50 C 49 GLN N N 15 116.442 0.20 C 50 HIS H H 1 8.077 0.03 C 50 HIS HA H 1 4.283 0.03 C 50 HIS HBy H 1 3.490 0.03 C 50 HIS HBx H 1 3.300 0.03 C 50 HIS C C 13 177.111 0.50 C 50 HIS CA C 13 60.377 0.50 C 50 HIS CB C 13 30.046 0.50 C 50 HIS N N 15 121.220 0.20 C 51 LEU H H 1 7.648 0.03 C 51 LEU HA H 1 3.541 0.03 C 51 LEU HBy H 1 2.250 0.03 C 51 LEU HBx H 1 0.952 0.03 C 51 LEU HD1% H 1 0.969 0.03 C 51 LEU HD2% H 1 0.801 0.03 C 51 LEU HG H 1 1.886 0.03 C 51 LEU C C 13 178.326 0.50 C 51 LEU CA C 13 58.110 0.50 C 51 LEU CB C 13 41.706 0.50 C 51 LEU CDy C 13 28.061 0.50 C 51 LEU CDx C 13 24.148 0.50 C 51 LEU CG C 13 27.158 0.50 C 51 LEU N N 15 117.417 0.20 C 52 ILE H H 1 7.540 0.03 C 52 ILE HA H 1 3.922 0.03 C 52 ILE HB H 1 1.976 0.03 C 52 ILE HD1% H 1 0.420 0.03 C 52 ILE HG12 H 1 1.353 0.03 C 52 ILE HG13 H 1 0.894 0.03 C 52 ILE HG2% H 1 0.810 0.03 C 52 ILE C C 13 180.631 0.50 C 52 ILE CA C 13 63.678 0.50 C 52 ILE CB C 13 36.589 0.50 C 52 ILE CD1 C 13 12.510 0.50 C 52 ILE CG1 C 13 27.860 0.50 C 52 ILE CG2 C 13 16.623 0.50 C 52 ILE N N 15 119.985 0.20 C 53 SER H H 1 8.294 0.03 C 53 SER HA H 1 4.163 0.03 C 53 SER HBy H 1 3.962 0.03 C 53 SER HBx H 1 3.801 0.03 C 53 SER C C 13 175.860 0.50 C 53 SER CA C 13 59.063 0.50 C 53 SER CB C 13 62.173 0.50 C 53 SER N N 15 120.772 0.20 C 54 GLU H H 1 7.303 0.03 C 54 GLU HA H 1 4.143 0.03 C 54 GLU HBx H 1 1.283 0.03 C 54 GLU HBy H 1 2.186 0.03 C 54 GLU C C 13 174.359 0.50 C 54 GLU CA C 13 55.843 0.50 C 54 GLU CB C 13 29.265 0.50 C 54 GLU CG C 13 35.686 0.50 C 54 GLU N N 15 117.677 0.20 C 55 GLU H H 1 8.054 0.03 C 55 GLU HA H 1 3.932 0.03 C 55 GLU HBx H 1 2.166 0.03 C 55 GLU HBy H 1 2.166 0.03 C 55 GLU HGy H 1 2.110 0.03 C 55 GLU HGx H 1 2.106 0.03 C 55 GLU C C 13 176.271 0.50 C 55 GLU CA C 13 57.257 0.50 C 55 GLU CB C 13 26.215 0.50 C 55 GLU CG C 13 36.890 0.50 C 55 GLU N N 15 113.741 0.20 C 56 LYS H H 1 8.039 0.03 C 56 LYS HA H 1 4.223 0.03 C 56 LYS HBy H 1 1.705 0.03 C 56 LYS HBx H 1 1.323 0.03 C 56 LYS HDx H 1 0.960 0.03 C 56 LYS HEy H 1 2.372 0.03 C 56 LYS HEx H 1 1.979 0.03 C 56 LYS HGy H 1 0.941 0.03 C 56 LYS HGx H 1 0.389 0.03 C 56 LYS C C 13 175.091 0.50 C 56 LYS CA C 13 54.147 0.50 C 56 LYS CB C 13 31.272 0.50 C 56 LYS CD C 13 26.656 0.50 C 56 LYS CE C 13 42.007 0.50 C 56 LYS CG C 13 23.541 0.50 C 56 LYS N N 15 113.335 0.20 C 57 ALA H H 1 7.430 0.03 C 57 ALA HA H 1 4.393 0.03 C 57 ALA HB% H 1 1.283 0.03 C 57 ALA C C 13 175.252 0.50 C 57 ALA CA C 13 50.527 0.50 C 57 ALA CB C 13 21.838 0.50 C 57 ALA N N 15 116.536 0.20 C 58 SER H H 1 9.012 0.03 C 58 SER HA H 1 4.544 0.03 C 58 SER HBy H 1 3.801 0.03 C 58 SER HBx H 1 3.611 0.03 C 58 SER C C 13 173.662 0.50 C 58 SER CA C 13 59.751 0.50 C 58 SER CB C 13 64.754 0.50 C 58 SER N N 15 113.600 0.20 C 59 HIS H H 1 7.732 0.03 C 59 HIS HA H 1 4.317 0.03 C 59 HIS HBx H 1 2.330 0.03 C 59 HIS C C 13 175.735 0.50 C 59 HIS CA C 13 55.764 0.50 C 59 HIS CB C 13 33.329 0.50 C 59 HIS N N 15 118.657 0.20 C 60 ILE H H 1 8.665 0.03 C 60 ILE HA H 1 3.661 0.03 C 60 ILE HB H 1 1.867 0.03 C 60 ILE HD1% H 1 0.801 0.03 C 60 ILE HG12 H 1 1.175 0.03 C 60 ILE HG13 H 1 1.484 0.03 C 60 ILE HG2% H 1 0.857 0.03 C 60 ILE C C 13 177.808 0.50 C 60 ILE CA C 13 65.083 0.50 C 60 ILE CB C 13 37.788 0.50 C 60 ILE CD1 C 13 13.513 0.50 C 60 ILE CG1 C 13 27.554 0.50 C 60 ILE CG2 C 13 18.028 0.50 C 60 ILE N N 15 124.657 0.20 C 61 SER H H 1 9.019 0.03 C 61 SER HA H 1 4.213 0.03 C 61 SER HBx H 1 4.012 0.03 C 61 SER HBy H 1 4.012 0.03 C 61 SER C C 13 175.217 0.50 C 61 SER CA C 13 60.568 0.50 C 61 SER CB C 13 62.775 0.50 C 61 SER N N 15 116.422 0.20 C 62 GLU H H 1 7.602 0.03 C 62 GLU HA H 1 4.303 0.03 C 62 GLU HBx H 1 2.106 0.03 C 62 GLU HBy H 1 2.307 0.03 C 62 GLU HGy H 1 2.447 0.03 C 62 GLU HGx H 1 2.250 0.03 C 62 GLU C C 13 175.538 0.50 C 62 GLU CA C 13 56.781 0.50 C 62 GLU CB C 13 31.218 0.50 C 62 GLU CG C 13 37.091 0.50 C 62 GLU N N 15 119.264 0.20 C 63 ILE H H 1 7.369 0.03 C 63 ILE HA H 1 4.434 0.03 C 63 ILE HB H 1 1.685 0.03 C 63 ILE HD1% H 1 0.791 0.03 C 63 ILE HG12 H 1 0.576 0.03 C 63 ILE HG13 H 1 1.700 0.03 C 63 ILE HG2% H 1 0.763 0.03 C 63 ILE C C 13 174.466 0.50 C 63 ILE CA C 13 61.393 0.50 C 63 ILE CB C 13 40.834 0.50 C 63 ILE CD1 C 13 16.122 0.50 C 63 ILE CG1 C 13 26.952 0.50 C 63 ILE CG2 C 13 19.734 0.50 C 63 ILE N N 15 117.263 0.20 C 64 LYS H H 1 9.037 0.03 C 64 LYS HA H 1 4.554 0.03 C 64 LYS HBx H 1 1.624 0.03 C 64 LYS HBy H 1 1.633 0.03 C 64 LYS HDx H 1 1.630 0.03 C 64 LYS HDy H 1 1.630 0.03 C 64 LYS HEx H 1 2.886 0.03 C 64 LYS HEy H 1 2.888 0.03 C 64 LYS HGx H 1 1.259 0.03 C 64 LYS HGy H 1 1.465 0.03 C 64 LYS C C 13 174.037 0.50 C 64 LYS CA C 13 54.670 0.50 C 64 LYS CB C 13 35.485 0.50 C 64 LYS CD C 13 29.165 0.50 C 64 LYS CE C 13 42.007 0.50 C 64 LYS CG C 13 24.650 0.50 C 64 LYS N N 15 128.116 0.20 C 65 LEU H H 1 8.502 0.03 C 65 LEU HA H 1 5.397 0.03 C 65 LEU HBy H 1 1.624 0.03 C 65 LEU HBx H 1 1.138 0.03 C 65 LEU HD1% H 1 0.773 0.03 C 65 LEU HD2% H 1 0.772 0.03 C 65 LEU HG H 1 1.427 0.03 C 65 LEU C C 13 175.056 0.50 C 65 LEU CA C 13 52.441 0.50 C 65 LEU CB C 13 43.908 0.50 C 65 LEU CDx C 13 25.146 0.50 C 65 LEU CDy C 13 27.956 0.50 C 65 LEU CG C 13 26.752 0.50 C 65 LEU N N 15 122.851 0.20 C 66 LEU H H 1 8.976 0.03 C 66 LEU HA H 1 5.346 0.03 C 66 LEU HBy H 1 1.474 0.03 C 66 LEU HBx H 1 1.233 0.03 C 66 LEU HD1% H 1 0.726 0.03 C 66 LEU HDy% H 1 0.640 0.03 C 66 LEU HG H 1 1.381 0.03 C 66 LEU C C 13 175.359 0.50 C 66 LEU CA C 13 54.201 0.50 C 66 LEU CB C 13 46.618 0.50 C 66 LEU CD1 C 13 25.700 0.50 C 66 LEU CDy C 13 26.255 0.50 C 66 LEU CDx C 13 25.700 0.50 C 66 LEU CG C 13 28.563 0.50 C 66 LEU N N 15 120.869 0.20 C 67 LEU H H 1 8.532 0.03 C 67 LEU HA H 1 4.865 0.03 C 67 LEU HBy H 1 1.875 0.03 C 67 LEU HBx H 1 1.263 0.03 C 67 LEU HD1% H 1 0.913 0.03 C 67 LEU HD2% H 1 0.913 0.03 C 67 LEU HG H 1 1.474 0.03 C 67 LEU C C 13 176.253 0.50 C 67 LEU CA C 13 53.746 0.50 C 67 LEU CB C 13 45.680 0.50 C 67 LEU CDy C 13 26.456 0.50 C 67 LEU CDx C 13 23.345 0.50 C 67 LEU CG C 13 27.961 0.50 C 67 LEU N N 15 121.301 0.20 C 68 LYS H H 1 9.475 0.03 C 68 LYS HA H 1 3.872 0.03 C 68 LYS HBy H 1 2.026 0.03 C 68 LYS HBx H 1 1.845 0.03 C 68 LYS HDy H 1 1.736 0.03 C 68 LYS HDx H 1 1.727 0.03 C 68 LYS HEx H 1 3.027 0.03 C 68 LYS HEy H 1 3.029 0.03 C 68 LYS HGx H 1 1.474 0.03 C 68 LYS HGy H 1 1.484 0.03 C 68 LYS C C 13 176.485 0.50 C 68 LYS CA C 13 57.484 0.50 C 68 LYS CB C 13 30.280 0.50 C 68 LYS CD C 13 29.566 0.50 C 68 LYS CE C 13 42.002 0.50 C 68 LYS CG C 13 25.252 0.50 C 68 LYS N N 15 128.331 0.20 C 69 GLY H H 1 8.391 0.03 C 69 GLY HAy H 1 4.123 0.03 C 69 GLY HAx H 1 3.531 0.03 C 69 GLY C C 13 173.287 0.50 C 69 GLY CA C 13 45.446 0.50 C 69 GLY N N 15 103.963 0.20 C 70 LYS H H 1 7.670 0.03 C 70 LYS HA H 1 4.544 0.03 C 70 LYS HBy H 1 1.835 0.03 C 70 LYS HBx H 1 1.805 0.03 C 70 LYS HDx H 1 1.680 0.03 C 70 LYS HDy H 1 1.685 0.03 C 70 LYS HEx H 1 2.999 0.03 C 70 LYS HEy H 1 2.999 0.03 C 70 LYS HGx H 1 1.343 0.03 C 70 LYS HGy H 1 1.455 0.03 C 70 LYS C C 13 175.449 0.50 C 70 LYS CA C 13 54.670 0.50 C 70 LYS CB C 13 33.798 0.50 C 70 LYS CD C 13 29.064 0.50 C 70 LYS CE C 13 42.408 0.50 C 70 LYS CG C 13 24.650 0.50 C 70 LYS N N 15 121.858 0.20 C 71 VAL H H 1 8.406 0.03 C 71 VAL HA H 1 4.012 0.03 C 71 VAL HB H 1 1.895 0.03 C 71 VAL HG1% H 1 0.962 0.03 C 71 VAL HG2% H 1 0.792 0.03 C 71 VAL C C 13 175.985 0.50 C 71 VAL CA C 13 63.504 0.50 C 71 VAL CB C 13 31.687 0.50 C 71 VAL CGy C 13 22.442 0.50 C 71 VAL CGx C 13 21.239 0.50 C 71 VAL N N 15 125.036 0.20 C 72 LEU H H 1 8.520 0.03 C 72 LEU HA H 1 4.383 0.03 C 72 LEU HBy H 1 1.654 0.03 C 72 LEU HBx H 1 1.103 0.03 C 72 LEU HD1% H 1 0.721 0.03 C 72 LEU HD2% H 1 0.721 0.03 C 72 LEU HG H 1 1.755 0.03 C 72 LEU C C 13 175.181 0.50 C 72 LEU CA C 13 53.419 0.50 C 72 LEU CB C 13 42.866 0.50 C 72 LEU CDx C 13 22.342 0.50 C 72 LEU CDy C 13 26.054 0.50 C 72 LEU CG C 13 26.054 0.50 C 72 LEU N N 15 128.240 0.20 C 73 HIS H H 1 7.649 0.03 C 73 HIS HA H 1 4.594 0.03 C 73 HIS HBy H 1 3.210 0.03 C 73 HIS HBx H 1 3.049 0.03 C 73 HIS C C 13 175.574 0.50 C 73 HIS CA C 13 55.999 0.50 C 73 HIS CB C 13 31.297 0.50 C 73 HIS N N 15 122.788 0.20 C 74 ASP H H 1 7.932 0.03 C 74 ASP HA H 1 4.092 0.03 C 74 ASP HBy H 1 2.475 0.03 C 74 ASP HBx H 1 2.400 0.03 C 74 ASP C C 13 176.056 0.50 C 74 ASP CA C 13 57.797 0.50 C 74 ASP CB C 13 41.772 0.50 C 74 ASP N N 15 119.028 0.20 C 75 ASN H H 1 8.345 0.03 C 75 ASN HA H 1 4.544 0.03 C 75 ASN HBy H 1 2.830 0.03 C 75 ASN HBx H 1 2.802 0.03 C 75 ASN C C 13 175.038 0.50 C 75 ASN CA C 13 52.559 0.50 C 75 ASN CB C 13 37.941 0.50 C 75 ASN N N 15 112.353 0.20 C 76 LEU H H 1 7.217 0.03 C 76 LEU HA H 1 4.143 0.03 C 76 LEU HBy H 1 1.614 0.03 C 76 LEU HBx H 1 1.454 0.03 C 76 LEU HD1% H 1 1.016 0.03 C 76 LEU HD2% H 1 0.857 0.03 C 76 LEU HG H 1 1.605 0.03 C 76 LEU C C 13 176.414 0.50 C 76 LEU CA C 13 55.530 0.50 C 76 LEU CB C 13 42.553 0.50 C 76 LEU CDy C 13 26.155 0.50 C 76 LEU CDx C 13 24.850 0.50 C 76 LEU CG C 13 26.757 0.50 C 76 LEU N N 15 121.782 0.20 C 77 PHE H H 1 8.612 0.03 C 77 PHE HA H 1 4.835 0.03 C 77 PHE HBy H 1 3.300 0.03 C 77 PHE HBx H 1 2.878 0.03 C 77 PHE C C 13 178.665 0.50 C 77 PHE CA C 13 57.719 0.50 C 77 PHE CB C 13 40.052 0.50 C 77 PHE N N 15 121.661 0.20 C 78 LEU H H 1 9.028 0.03 C 78 LEU HA H 1 3.942 0.03 C 78 LEU HBy H 1 1.986 0.03 C 78 LEU HBx H 1 1.384 0.03 C 78 LEU HD1% H 1 0.691 0.03 C 78 LEU HD2% H 1 0.541 0.03 C 78 LEU HG H 1 1.544 0.03 C 78 LEU C C 13 180.595 0.50 C 78 LEU CA C 13 58.031 0.50 C 78 LEU CB C 13 40.100 0.50 C 78 LEU CDy C 13 25.653 0.50 C 78 LEU CDx C 13 23.345 0.50 C 78 LEU CG C 13 27.660 0.50 C 78 LEU N N 15 122.447 0.20 C 79 SER H H 1 8.714 0.03 C 79 SER HA H 1 4.153 0.03 C 79 SER HBy H 1 3.992 0.03 C 79 SER HBx H 1 3.801 0.03 C 79 SER C C 13 176.003 0.50 C 79 SER CA C 13 60.689 0.50 C 79 SER CB C 13 62.331 0.50 C 79 SER N N 15 113.531 0.20 C 80 ASP H H 1 7.770 0.03 C 80 ASP HA H 1 4.745 0.03 C 80 ASP HBy H 1 3.059 0.03 C 80 ASP HBx H 1 2.858 0.03 C 80 ASP C C 13 177.111 0.50 C 80 ASP CA C 13 55.921 0.50 C 80 ASP CB C 13 41.381 0.50 C 80 ASP N N 15 121.120 0.20 C 81 LEU H H 1 7.549 0.03 C 81 LEU HA H 1 4.133 0.03 C 81 LEU HBy H 1 1.815 0.03 C 81 LEU HBx H 1 1.514 0.03 C 81 LEU HD1% H 1 0.791 0.03 C 81 LEU HDy% H 1 0.770 0.03 C 81 LEU HG H 1 1.800 0.03 C 81 LEU C C 13 176.307 0.50 C 81 LEU CA C 13 55.764 0.50 C 81 LEU CB C 13 42.866 0.50 C 81 LEU CDy C 13 25.352 0.50 C 81 LEU CDx C 13 23.646 0.50 C 81 LEU CG C 13 26.857 0.50 C 81 LEU N N 15 118.939 0.20 C 82 LYS H H 1 7.800 0.03 C 82 LYS HA H 1 4.072 0.03 C 82 LYS HBy H 1 1.945 0.03 C 82 LYS HBx H 1 1.805 0.03 C 82 LYS HDx H 1 1.671 0.03 C 82 LYS HDy H 1 1.708 0.03 C 82 LYS HEx H 1 3.017 0.03 C 82 LYS HEy H 1 3.019 0.03 C 82 LYS HGx H 1 1.404 0.03 C 82 LYS HGy H 1 1.404 0.03 C 82 LYS C C 13 176.199 0.50 C 82 LYS CA C 13 56.155 0.50 C 82 LYS CB C 13 29.264 0.50 C 82 LYS CD C 13 29.064 0.50 C 82 LYS CE C 13 42.609 0.50 C 82 LYS CG C 13 24.650 0.50 C 82 LYS N N 15 117.149 0.20 C 83 VAL H H 1 8.131 0.03 C 83 VAL HA H 1 4.243 0.03 C 83 VAL HB H 1 2.116 0.03 C 83 VAL HG1% H 1 0.862 0.03 C 83 VAL HG2% H 1 0.862 0.03 C 83 VAL C C 13 176.575 0.50 C 83 VAL CA C 13 63.034 0.50 C 83 VAL CB C 13 32.469 0.50 C 83 VAL CGy C 13 21.941 0.50 C 83 VAL CGx C 13 20.436 0.50 C 83 VAL N N 15 117.409 0.20 C 84 THR H H 1 7.665 0.03 C 84 THR HA H 1 4.870 0.03 C 84 THR HB H 1 4.542 0.03 C 84 THR HG2% H 1 1.250 0.03 C 84 THR C C 13 173.876 0.50 C 84 THR CA C 13 59.126 0.50 C 84 THR CB C 13 69.835 0.50 C 84 THR CG2 C 13 21.900 0.50 C 84 THR N N 15 116.160 0.20 C 85 PRO HA H 1 4.343 0.03 C 85 PRO HBy H 1 2.407 0.03 C 85 PRO HBx H 1 1.915 0.03 C 85 PRO HDy H 1 3.887 0.03 C 85 PRO HDx H 1 3.812 0.03 C 85 PRO HGy H 1 2.176 0.03 C 85 PRO HGx H 1 1.998 0.03 C 85 PRO C C 13 178.272 0.50 C 85 PRO CA C 13 66.396 0.50 C 85 PRO CB C 13 31.609 0.50 C 85 PRO CD C 13 50.435 0.50 C 85 PRO CG C 13 27.961 0.50 C 86 ALA H H 1 7.787 0.03 C 86 ALA HA H 1 4.336 0.03 C 86 ALA HB% H 1 1.364 0.03 C 86 ALA C C 13 177.039 0.50 C 86 ALA CA C 13 53.107 0.50 C 86 ALA CB C 13 19.102 0.50 C 86 ALA N N 15 116.840 0.20 C 87 ASN H H 1 8.044 0.03 C 87 ASN HA H 1 5.076 0.03 C 87 ASN HBy H 1 2.939 0.03 C 87 ASN HBx H 1 2.567 0.03 C 87 ASN C C 13 173.572 0.50 C 87 ASN CA C 13 52.090 0.50 C 87 ASN CB C 13 38.957 0.50 C 87 ASN N N 15 119.429 0.20 C 88 SER H H 1 8.075 0.03 C 88 SER HA H 1 4.564 0.03 C 88 SER HBy H 1 4.434 0.03 C 88 SER HBx H 1 4.062 0.03 C 88 SER C C 13 172.983 0.50 C 88 SER CA C 13 57.719 0.50 C 88 SER CB C 13 63.504 0.50 C 88 SER N N 15 112.131 0.20 C 89 THR H H 1 8.010 0.03 C 89 THR HA H 1 5.156 0.03 C 89 THR HB H 1 4.022 0.03 C 89 THR HG2% H 1 1.042 0.03 C 89 THR C C 13 173.983 0.50 C 89 THR CA C 13 62.096 0.50 C 89 THR CB C 13 69.445 0.50 C 89 THR CG2 C 13 21.339 0.50 C 89 THR N N 15 117.534 0.20 C 90 ILE H H 1 9.496 0.03 C 90 ILE HA H 1 4.467 0.03 C 90 ILE HB H 1 1.955 0.03 C 90 ILE HD1% H 1 0.604 0.03 C 90 ILE HG12 H 1 1.287 0.03 C 90 ILE HG13 H 1 1.283 0.03 C 90 ILE HG2% H 1 0.838 0.03 C 90 ILE C C 13 175.091 0.50 C 90 ILE CA C 13 58.662 0.50 C 90 ILE CB C 13 39.427 0.50 C 90 ILE CD1 C 13 11.807 0.50 C 90 ILE CG1 C 13 28.462 0.50 C 90 ILE CG2 C 13 19.031 0.50 C 90 ILE N N 15 130.846 0.20 C 91 THR H H 1 9.142 0.03 C 91 THR HA H 1 4.813 0.03 C 91 THR HB H 1 4.093 0.03 C 91 THR HG2% H 1 1.203 0.03 C 91 THR C C 13 173.054 0.50 C 91 THR CA C 13 62.670 0.50 C 91 THR CB C 13 69.593 0.50 C 91 THR CG2 C 13 21.535 0.50 C 91 THR N N 15 124.881 0.20 C 92 VAL H H 1 8.731 0.03 C 92 VAL HA H 1 4.454 0.03 C 92 VAL HB H 1 1.584 0.03 C 92 VAL HG1% H 1 0.862 0.03 C 92 VAL HG2% H 1 0.866 0.03 C 92 VAL C C 13 174.913 0.50 C 92 VAL CA C 13 60.964 0.50 C 92 VAL CB C 13 33.485 0.50 C 92 VAL CGy C 13 21.740 0.50 C 92 VAL CGx C 13 21.540 0.50 C 92 VAL N N 15 126.906 0.20 C 93 MET H H 1 9.117 0.03 C 93 MET HA H 1 4.785 0.03 C 93 MET HBy H 1 2.026 0.03 C 93 MET HBx H 1 1.795 0.03 C 93 MET HGx H 1 2.363 0.03 C 93 MET HGy H 1 2.367 0.03 C 93 MET C C 13 174.555 0.50 C 93 MET CA C 13 54.201 0.50 C 93 MET CB C 13 34.893 0.50 C 93 MET CG C 13 32.074 0.50 C 93 MET N N 15 126.657 0.20 C 94 ILE H H 1 8.623 0.03 C 94 ILE HA H 1 5.009 0.03 C 94 ILE HB H 1 1.717 0.03 C 94 ILE HD1% H 1 0.904 0.03 C 94 ILE HG12 H 1 1.530 0.03 C 94 ILE HG13 H 1 1.072 0.03 C 94 ILE HG2% H 1 0.902 0.03 C 94 ILE C C 13 175.342 0.50 C 94 ILE CA C 13 58.757 0.50 C 94 ILE CB C 13 39.694 0.50 C 94 ILE CD1 C 13 12.806 0.50 C 94 ILE CG1 C 13 27.956 0.50 C 94 ILE CG2 C 13 17.321 0.50 C 94 ILE N N 15 123.862 0.20 C 95 LYS H H 1 8.949 0.03 C 95 LYS C C 13 173.197 0.50 C 95 LYS CA C 13 53.810 0.50 C 95 LYS CB C 13 33.720 0.50 C 95 LYS N N 15 130.472 0.20 stop_ save_ save_CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_2 _nef_distance_restraint_list.restraint_origin undefined _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 C 93 MET CE A 49 VAL HG11 1.0 1.7 5.5 2 1 C 93 MET CE B 49 VAL HG11 1.0 1.7 5.5 3 2 C 93 MET CE A 49 VAL HG21 1.0 1.7 5.5 4 2 C 93 MET CE B 49 VAL HG21 1.0 1.7 5.5 5 3 B 49 VAL HG11 C 62 GLU CB 1.0 1.7 5.5 6 3 A 49 VAL HG11 C 85 PRO CB 1.0 1.7 5.5 7 3 A 49 VAL HG11 C 93 MET CG 1.0 1.7 5.5 8 3 A 49 VAL HG11 C 36 HIS CB 1.0 1.7 5.5 9 3 B 49 VAL HG11 C 93 MET CG 1.0 1.7 5.5 10 3 B 49 VAL HG11 C 36 HIS CB 1.0 1.7 5.5 11 3 A 49 VAL HG11 C 62 GLU CB 1.0 1.7 5.5 12 3 B 49 VAL HG11 C 85 PRO CB 1.0 1.7 5.5 13 4 A 49 VAL HG21 C 36 HIS CB 1.0 1.7 5.5 14 4 A 49 VAL HG21 C 62 GLU CB 1.0 1.7 5.5 15 4 A 49 VAL HG21 C 93 MET CG 1.0 1.7 5.5 16 4 B 49 VAL HG21 C 36 HIS CB 1.0 1.7 5.5 17 4 B 49 VAL HG21 C 62 GLU CB 1.0 1.7 5.5 18 4 A 49 VAL HG21 C 85 PRO CB 1.0 1.7 5.5 19 4 B 49 VAL HG21 C 93 MET CG 1.0 1.7 5.5 20 4 B 49 VAL HG21 C 85 PRO CB 1.0 1.7 5.5 stop_ save_