save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type . _Mol_polymer_class . _Name_common . _Residue_count 122 _Mol_residue_sequence ; MGHHHHHHSH MTGNVCIEEI DVDGKFIRLK NTSEQDQPMG GWEMIRKIGD TSVSYKYTSR YVLKAGQTVT IWAANAGVTA SPPTDLIWKN QNSWGTGEDV KVILKNSQGE EVAQRSTVFK TT ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 HIS 9 SER 10 HIS 11 MET 12 THR 13 GLY 14 ASN 15 VAL 16 CYS 17 ILE 18 GLU 19 GLU 20 ILE 21 ASP 22 VAL 23 ASP 24 GLY 25 LYS 26 PHE 27 ILE 28 ARG 29 LEU 30 LYS 31 ASN 32 THR 33 SER 34 GLU 35 GLN 36 ASP 37 GLN 38 PRO 39 MET 40 GLY 41 GLY 42 TRP 43 GLU 44 MET 45 ILE 46 ARG 47 LYS 48 ILE 49 GLY 50 ASP 51 THR 52 SER 53 VAL 54 SER 55 TYR 56 LYS 57 TYR 58 THR 59 SER 60 ARG 61 TYR 62 VAL 63 LEU 64 LYS 65 ALA 66 GLY 67 GLN 68 THR 69 VAL 70 THR 71 ILE 72 TRP 73 ALA 74 ALA 75 ASN 76 ALA 77 GLY 78 VAL 79 THR 80 ALA 81 SER 82 PRO 83 PRO 84 THR 85 ASP 86 LEU 87 ILE 88 TRP 89 LYS 90 ASN 91 GLN 92 ASN 93 SER 94 TRP 95 GLY 96 THR 97 GLY 98 GLU 99 ASP 100 VAL 101 LYS 102 VAL 103 ILE 104 LEU 105 LYS 106 ASN 107 SER 108 GLN 109 GLY 110 GLU 111 GLU 112 VAL 113 ALA 114 GLN 115 ARG 116 SER 117 THR 118 VAL 119 PHE 120 LYS 121 THR 122 THR stop_ save_ save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code #________________________________________________ 1151 3 HIS HA H 4.626 . 1 1150 3 HIS HB2 H 3.04 . 2 1149 3 HIS HB3 H 3.14 . 2 1148 3 HIS CA C 55.26 . 1 1147 3 HIS CB C 29.25 . 1 #1146 3 HIS N N 118.99 . 1 #1145 3 HIS H H 8.528 . 1 #________________________________________________ 1144 4 HIS HA H 4.624 . 1 1143 4 HIS HB2 H 3.05 . 2 1142 4 HIS HB3 H 3.11 . 2 1141 4 HIS CA C 55.277 . 1 1140 4 HIS CB C 29.002 . 1 1139 4 HIS N N 118.99 . 1 1138 4 HIS H H 8.528 . 1 #________________________________________________ 1137 5 HIS HA H 4.737 . 1 1136 5 HIS HB2 H 3.249 . 2 1135 5 HIS HB3 H 3.249 . 2 1134 5 HIS CA C 55.33 . 1 1133 5 HIS CB C 29.257 . 1 1132 5 HIS N N 119.72 . 1 1131 5 HIS H H 8.579 . 1 #________________________________________________ 1130 6 HIS HA H 4.674 . 1 1129 6 HIS HB2 H 3.157 . 2 1128 6 HIS HB3 H 3.157 . 2 1127 6 HIS CA C 55.15 . 1 1126 6 HIS CB C 27.34 . 1 1125 6 HIS N N 121.42 . 1 1124 6 HIS H H 8.603 . 1 #________________________________________________ 1117 7 HIS HA H 4.658 . 1 1118 7 HIS HB2 H 3.157 . 2 1119 7 HIS HB3 H 3.157 . 2 1120 7 HIS CA C 55.1 . 1 1121 7 HIS CB C 29.3 . 1 #1122 7 HIS N N 121.2 . 1 #1123 7 HIS H H 8.706 . 1 #________________________________________________ 1 8 HIS HA H 4.706 . 1 2 8 HIS HB2 H 3.178 . 2 3 8 HIS HB3 H 3.180 . 2 4 8 HIS CA C 55.156 . 1 5 8 HIS CB C 29.396 . 1 1115 8 HIS N N 121.2 . 1 1116 8 HIS H H 8.706 . 1 #________________________________________________ 6 9 SER H H 8.551 . 1 7 9 SER HA H 4.45 . 1 8 9 SER HB2 H 3.849 . 2 9 9 SER HB3 H 3.849 . 2 10 9 SER CA C 58.2 . 1 11 9 SER CB C 63.74 . 1 12 9 SER N N 118.046 . 1 #________________________________________________ 13 10 HIS H H 8.77 . 1 982 10 HIS HA H 4.726 . 1 983 10 HIS HB2 H 3.194 . 2 984 10 HIS HB3 H 3.194 . 2 14 10 HIS CA C 55.640 . 1 15 10 HIS CB C 29.172 . 1 16 10 HIS N N 120.412 . 1 #________________________________________________ 972 11 MET N N 122.4 . 1 973 11 MET H H 8.528 . 1 974 11 MET CA C 55.438 . 1 975 11 MET CB C 33.09 . 1 976 11 MET CG C 33.49 . 1 977 11 MET HA H 4.658 . 1 978 11 MET HB2 H 2.06 . 2 979 11 MET HB3 H 2.17 . 2 980 11 MET HG2 H 2.271 . 2 981 11 MET HG3 H 2.348 . 2 32557 11 MET CE C 16.85 . 1 3258 11 MET HE H 2.095 . 1 #________________________________________________ 17 12 THR HA H 4.45 . 1 985 12 THR H H 8.339 . 1 986 12 THR N N 115.7 . 1 18 12 THR HB H 4.263 . 1 19 12 THR CA C 61.81 . 1 20 12 THR CB C 70.45 . 1 970 12 THR CG2 C 21.43 . 1 971 12 THR HG2 H 1.253 . 1 #________________________________________________ 21 13 GLY H H 8.426 . 1 22 13 GLY HA2 H 4.287 . 2 23 13 GLY HA3 H 3.877 . 2 24 13 GLY CA C 45.243 . 1 25 13 GLY N N 110.872 . 1 #________________________________________________ 26 14 ASN H H 8.374 . 1 27 14 ASN HA H 4.72 . 1 28 14 ASN HB2 H 2.82 . 2 29 14 ASN HB3 H 2.935 . 2 30 14 ASN CA C 54.2 . 1 31 14 ASN CB C 39.21 . 1 32 14 ASN N N 117.789 . 1 1160 14 ASN ND2 N 112.3 . 1 1161 14 ASN HD21 H 7.041 . 2 1162 14 ASN HD22 H 7.47 . 2 #________________________________________________ 33 15 VAL H H 7.89 . 1 9933 15 VAL HA H 4.843 . 1 9934 15 VAL HB H 1.927 . 1 9935 15 VAL HG1 H 0.688 . 2 9936 15 VAL HG2 H 0.807 . 2 34 15 VAL CA C 61.759 . 1 35 15 VAL CB C 33.23 . 1 9937 15 VAL CG1 C 22.09 . 2 9938 15 VAL CG2 C 21.73 . 2 36 15 VAL N N 118.720 . 1 #________________________________________________ 37 16 CYS H H 9.060 . 1 9938 16 CYS HA H 4.899 . 1 38 16 CYS HB2 H 2.947 . 2 39 16 CYS HB3 H 3.02 . 2 40 16 CYS CA C 54.62 . 1 41 16 CYS CB C 30.9 . 1 42 16 CYS N N 122.674 . 1 #________________________________________________ 43 17 ILE H H 8.845 . 1 44 17 ILE HA H 4.153 . 1 45 17 ILE HB H 1.736 . 1 46 17 ILE HG13 H 1.429 . 2 47 17 ILE HG12 H 1.429 . 2 48 17 ILE HG2 H 0.660 . 1 49 17 ILE HD1 H 0.682 . 1 50 17 ILE CA C 61.08 . 1 51 17 ILE CB C 36.397 . 1 52 17 ILE CG1 C 27.23 . 1 53 17 ILE CG2 C 18.364 . 1 54 17 ILE CD1 C 14.554 . 1 55 17 ILE N N 122.609 . 1 #________________________________________________ 56 18 GLU H H 8.917 . 1 57 18 GLU HA H 4.23 . 1 58 18 GLU HB2 H 1.74 . 2 59 18 GLU HB3 H 1.77 . 2 60 18 GLU HG2 H 2.25 . 2 61 18 GLU HG3 H 2.25 . 2 62 18 GLU CA C 57.16 . 1 63 18 GLU CB C 30.55 . 1 64 18 GLU CG C 34.18 . 1 65 18 GLU N N 130.894 . 1 #________________________________________________ 66 19 GLU H H 7.853 . 1 67 19 GLU HA H 4.47 . 1 68 19 GLU HB2 H 1.802 . 2 69 19 GLU HB3 H 2.181 . 2 70 19 GLU HG2 H 2.030 . 2 71 19 GLU HG3 H 2.370 . 2 72 19 GLU CA C 56.11 . 1 73 19 GLU CB C 33.847 . 1 74 19 GLU CG C 35.383 . 1 75 19 GLU N N 115.069 . 1 #________________________________________________ 76 20 ILE H H 8.744 . 1 77 20 ILE HA H 4.080 . 1 78 20 ILE HB H 1.687 . 1 7779 20 ILE HG12 H 0.751 . 2 7778 20 ILE HG13 H 0.751 . 2 79 20 ILE HG2 H 0.952 . 1 7879 20 ILE HD1 H 0.754 . 1 80 20 ILE CA C 60.619 . 1 81 20 ILE CB C 39.17 . 1 82 20 ILE CG1 C 27.544 . 1 83 20 ILE CG2 C 17.63 . 1 84 20 ILE CD1 C 14.186 . 1 85 20 ILE N N 127.309 . 1 #________________________________________________ 86 21 ASP H H 7.468 . 1 87 21 ASP HA H 3.949 . 1 88 21 ASP HB2 H 0.366 . 2 89 21 ASP HB3 H 1.842 . 2 90 21 ASP CA C 54.97 . 1 91 21 ASP CB C 42.17 . 1 92 21 ASP N N 124.858 . 1 #________________________________________________ 93 22 VAL H H 8.65 . 1 94 22 VAL HA H 3.998 . 1 95 22 VAL HB H 2.215 . 1 96 22 VAL HG1 H 1.057 . 2 97 22 VAL HG2 H 1.057 . 2 98 22 VAL CA C 64.445 . 1 99 22 VAL CB C 31.244 . 1 100 22 VAL CG1 C 20.355 . 2 101 22 VAL CG2 C 20.355 . 2 102 22 VAL N N 130.172 . 1 #________________________________________________ 103 23 ASP H H 7.482 . 1 104 23 ASP HA H 4.711 . 1 105 23 ASP HB2 H 2.812 . 2 106 23 ASP HB3 H 2.812 . 2 107 23 ASP CA C 53.92 . 1 108 23 ASP CB C 40.100 . 1 109 23 ASP N N 118.547 . 1 #________________________________________________ 110 24 GLY H H 7.22 . 1 111 24 GLY HA2 H 2.95 . 2 112 24 GLY HA3 H 2.407 . 2 113 24 GLY CA C 45.04 . 1 114 24 GLY N N 105.293 . 1 #________________________________________________ 115 25 LYS H H 8.757 . 1 116 25 LYS HA H 3.964 . 1 117 25 LYS HB2 H 2.105 . 2 2117 25 LYS HB3 H 2.105 . 2 2118 25 LYS HG2 H 1.33 . 2 2119 25 LYS HG3 H 1.194 . 2 2120 25 LYS HD2 H 1.772 . 2 2121 25 LYS HD3 H 1.772 . 2 2122 25 LYS HE2 H 3.019 . 2 2123 25 LYS HE3 H 3.019 . 2 118 25 LYS CA C 56.59 . 1 119 25 LYS CB C 33.66 . 1 2124 25 LYS CG C 25.37 . 1 2125 25 LYS CD C 29.16 . 1 2126 25 LYS CE C 41.92 . 1 120 25 LYS N N 111.753 . 1 #________________________________________________ 121 26 PHE H H 6.380 . 1 122 26 PHE HA H 5.753 . 1 123 26 PHE HB2 H 2.230 . 2 124 26 PHE HB3 H 1.865 . 2 125 26 PHE CA C 56.37 . 1 126 26 PHE CB C 40.03 . 1 127 26 PHE N N 110.097 . 1 988 26 PHE HD1 H 6.51 . 2 989 26 PHE HD2 H 6.51 . 2 990 26 PHE CD1 C 132.9 . 2 991 26 PHE CD2 C 132.9 . 2 992 26 PHE HE1 H 6.911 . 2 993 26 PHE HE2 H 6.911 . 2 994 26 PHE CE1 C 130.0 . 2 995 26 PHE CE2 C 130.0 . 2 996 26 PHE HZ H 7.15 . 1 997 26 PHE CZ C 130.0 . 1 #________________________________________________ 128 27 ILE H H 8.601 . 1 129 27 ILE HA H 4.506 . 1 130 27 ILE HB H 1.422 . 1 131 27 ILE HG12 H 1.155 . 2 132 27 ILE HG13 H 2.070 . 2 133 27 ILE HG2 H 0.962 . 1 134 27 ILE HD1 H 0.887 . 1 135 27 ILE CA C 60.905 . 1 136 27 ILE CB C 43.249 . 1 137 27 ILE CG1 C 29.33 . 1 138 27 ILE CG2 C 18.427 . 1 139 27 ILE CD1 C 14.86 . 1 140 27 ILE N N 119.676 . 1 #________________________________________________ 141 28 ARG H H 9.290 . 1 142 28 ARG HA H 5.561 . 1 143 28 ARG HB2 H 1.80 . 2 144 28 ARG HB3 H 1.615 . 2 2144 28 ARG HG2 H 1.40 . 2 2145 28 ARG HG3 H 1.60 . 2 2146 28 ARG HD2 H 3.034 . 2 2147 28 ARG HD3 H 3.034 . 2 145 28 ARG CA C 54.65 . 1 146 28 ARG CB C 34.18 . 1 147 28 ARG CG C 28.379 . 1 148 28 ARG CD C 43.192 . 1 149 28 ARG N N 127.516 . 1 #________________________________________________ 150 29 LEU H H 9.502 . 1 151 29 LEU HA H 5.306 . 1 152 29 LEU HB2 H 1.437 . 2 153 29 LEU HB3 H 1.629 . 2 2148 29 LEU HG H 1.57 . 1 2149 29 LEU HD1 H 0.758 . 2 2150 29 LEU HD2 H 0.811 . 2 154 29 LEU CA C 54.01 . 1 155 29 LEU CB C 44.02 . 1 2153 29 LEU CG C 28.39 . 1 2154 29 LEU CD1 C 26.6 . 2 2155 29 LEU CD2 C 26.07 . 2 156 29 LEU N N 126.696 . 1 #________________________________________________ 157 30 LYS H H 8.641 . 1 158 30 LYS HA H 5.108 . 1 159 30 LYS HB2 H 1.493 . 2 160 30 LYS HB3 H 1.63 . 2 2160 30 LYS HG2 H 0.81 . 2 2161 30 LYS HG3 H 0.998 . 2 2162 30 LYS HE2 H 2.698 . 2 2163 30 LYS HE3 H 2.698 . 2 2164 30 LYS HD2 H 1.357 . 2 2165 30 LYS HD3 H 1.357 . 2 161 30 LYS CA C 54.66 . 1 162 30 LYS CB C 38.07 . 1 2168 30 LYS CG C 25.20 . 1 2167 30 LYS CD C 29.15 . 1 2166 30 LYS CE C 41.81 . 1 163 30 LYS N N 118.761 . 1 #________________________________________________ 164 31 ASN H H 8.397 . 1 165 31 ASN HA H 5.319 . 1 166 31 ASN HB2 H 3.426 . 2 167 31 ASN HB3 H 2.269 . 2 168 31 ASN CA C 50.69 . 1 169 31 ASN CB C 37.49 . 1 170 31 ASN N N 123.996 . 1 998 31 ASN ND2 N 111.1 . 1 999 31 ASN HD21 H 6.611 . 2 1000 31 ASN HD22 H 8.038 . 2 #________________________________________________ 171 32 THR H H 8.455 . 1 1172 32 THR HB H 4.591 . 1 172 32 THR HA H 4.302 . 1 2172 32 THR HG2 H 1.156 . 1 173 32 THR CA C 61.492 . 1 174 32 THR CB C 68.11 . 1 2174 32 THR CG2 C 22.15 . 1 175 32 THR N N 115.755 . 1 #________________________________________________ 176 33 SER H H 8.487 . 1 177 33 SER HA H 4.793 . 1 178 33 SER HB2 H 4.196 . 2 179 33 SER HB3 H 3.96 . 2 180 33 SER CA C 57.500 . 1 181 33 SER CB C 66.51 . 1 182 33 SER N N 120.037 . 1 #________________________________________________ 183 34 GLU H H 8.355 . 1 184 34 GLU HA H 4.335 . 1 185 34 GLU HB2 H 1.878 . 2 186 34 GLU HB3 H 2.324 . 2 187 34 GLU HG2 H 2.393 . 2 188 34 GLU HG3 H 2.296 . 2 189 34 GLU CA C 55.84 . 1 190 34 GLU CB C 28.93 . 1 191 34 GLU CG C 35.669 . 1 192 34 GLU N N 116.545 . 1 #________________________________________________ 193 35 GLN H H 8.634 . 1 194 35 GLN HA H 4.664 . 1 195 35 GLN HB2 H 1.880 . 2 196 35 GLN HB3 H 1.963 . 2 197 35 GLN HG2 H 2.325 . 2 198 35 GLN HG3 H 2.253 . 2 199 35 GLN HE21 H 7.518 . 2 200 35 GLN HE22 H 6.838 . 2 201 35 GLN CA C 53.74 . 1 202 35 GLN CB C 31.696 . 1 203 35 GLN CG C 33.807 . 1 204 35 GLN N N 120.013 . 1 205 35 GLN NE2 N 112.3 . 1 #________________________________________________ 206 36 ASP H H 8.859 . 1 207 36 ASP HA H 4.05 . 1 208 36 ASP HB2 H 2.08 . 2 209 36 ASP HB3 H 2.490 . 2 210 36 ASP CA C 54.64 . 1 211 36 ASP CB C 40.12 . 1 212 36 ASP N N 124.552 . 1 #________________________________________________ 213 37 GLN H H 8.141 . 1 1214 37 GLN HA H 4.786 . 1 2214 37 GLN HB2 H 1.618 . 2 2215 37 GLN HB3 H 1.89 . 2 214 37 GLN HG2 H 1.320 . 2 215 37 GLN HG3 H 1.845 . 2 216 37 GLN CA C 50.858 . 1 217 37 GLN CB C 31.86 . 1 218 37 GLN CG C 34.04 . 1 219 37 GLN N N 120.015 . 1 9205 37 GLN NE2 N 118.1 . 1 9199 37 GLN HE21 H 7.583 . 2 9200 37 GLN HE22 H 7.989 . 2 #________________________________________________ 2507 38 PRO HA H 4.367 . 1 2508 38 PRO HB2 H 2.393 . 2 2509 38 PRO HB3 H 2.047 . 2 2510 38 PRO HG2 H 1.898 . 2 2511 38 PRO HG3 H 2.173 . 2 2516 38 PRO HD2 H 3.634 . 2 2517 38 PRO HD3 H 3.783 . 2 2512 38 PRO CA C 63.33 . 1 2513 38 PRO CB C 31.75 . 1 2514 38 PRO CG C 27.9 . 1 2515 38 PRO CD C 51.4 . 1 #________________________________________________ 220 39 MET H H 8.392 . 1 221 39 MET HA H 2.792 . 1 222 39 MET HB2 H 0.857 . 2 223 39 MET HB3 H 1.54 . 2 2223 39 MET HG2 H 1.663 . 2 2224 39 MET HG3 H 0.400 . 2 224 39 MET CA C 53.78 . 1 225 39 MET CB C 34.41 . 1 2225 39 MET CG C 29.57 . 1 2200 39 MET CE C 14.2 . 1 2201 39 MET HE C 0.995 . 1 226 39 MET N N 124.427 . 1 #________________________________________________ 227 40 GLY H H 7.94 . 1 228 40 GLY HA2 H 4.154 . 2 229 40 GLY HA3 H 3.763 . 2 230 40 GLY CA C 48.114 . 1 231 40 GLY N N 108.664 . 1 #________________________________________________ 232 41 GLY H H 7.959 . 1 233 41 GLY HA2 H 4.323 . 2 234 41 GLY HA3 H 3.769 . 2 235 41 GLY CA C 46.02 . 1 236 41 GLY N N 114.027 . 1 #________________________________________________ 237 42 TRP H H 8.667 . 1 930 42 TRP HA H 4.408 . 1 931 42 TRP HB2 H 3.152 . 2 932 42 TRP HB3 H 3.37 . 2 238 42 TRP CA C 58.925 . 1 239 42 TRP CB C 28.12 . 1 240 42 TRP N N 122.097 . 1 929 42 TRP CD1 C 124.8 . 1 928 42 TRP HD1 H 7.075 . 1 927 42 TRP NE1 N 129.2 . 1 926 42 TRP HE1 H 10.11 . 1 925 42 TRP CZ2 C 115.9 . 1 924 42 TRP HZ2 H 7.612 . 1 923 42 TRP CH2 C 124.4 . 1 922 42 TRP HH2 H 7.19 . 1 921 42 TRP CE3 C 121.3 . 1 920 42 TRP HE3 H 6.78 . 1 #919 42 TRP CZ3 C 121.2 . 1 #918 42 TRP HZ3 H 7.569 . 1 #________________________________________________ 933 43 GLU H H 8.74 . 1 934 43 GLU N N 120.3 . 1 241 43 GLU HA H 5.462 . 1 242 43 GLU HB2 H 1.763 . 2 243 43 GLU HB3 H 1.955 . 2 244 43 GLU HG2 H 2.036 . 2 245 43 GLU HG3 H 2.117 . 2 246 43 GLU CA C 54.41 . 1 247 43 GLU CB C 33.980 . 1 248 43 GLU CG C 35.905 . 1 #________________________________________________ 249 44 MET H H 9.658 . 1 250 44 MET HA H 5.488 . 1 251 44 MET HB2 H 1.817 . 2 252 44 MET HB3 H 2.226 . 2 3252 44 MET HG2 H 2.059 . 2 3253 44 MET HG3 H 2.205 . 2 253 44 MET CA C 53.36 . 1 254 44 MET CB C 37.49 . 1 3254 44 MET CG C 32.26 . 1 3255 44 MET CE C 17.16 . 1 3256 44 MET HE H 1.321 . 1 255 44 MET N N 126.477 . 1 #________________________________________________ 256 45 ILE H H 9.658 . 1 257 45 ILE HA H 4.781 . 1 258 45 ILE HB H 1.732 . 1 259 45 ILE CA C 60.413 . 1 260 45 ILE CB C 40.804 . 1 261 45 ILE N N 127.329 . 1 1010 45 ILE CG1 C 27.956 . 1 1011 45 ILE CG2 C 18.11 . 1 1012 45 ILE CD1 C 14.087 . 1 1013 45 ILE HG12 H 1.415 . 2 1014 45 ILE HG13 H 1.086 . 2 1015 45 ILE HG2 H 0.812 . 1 1016 45 ILE HD1 H 0.767 . 1 #________________________________________________ 262 46 ARG H H 9.217 . 1 263 46 ARG HA H 5.083 . 1 264 46 ARG HB2 H 1.935 . 2 265 46 ARG HB3 H 1.331 . 2 6262 46 ARG HG2 H 1.119 . 2 6263 46 ARG HG3 H 0.77 . 2 6264 46 ARG HD2 H 2.87 . 2 6265 46 ARG HD3 H 2.87 . 2 266 46 ARG CA C 53.76 . 1 267 46 ARG CB C 33.559 . 1 3267 46 ARG CG C 26.91 . 1 3268 46 ARG CD C 41.80 . 1 268 46 ARG N N 126.837 . 1 3270 46 ARG NE N 81.81 . 1 3269 46 ARG HE H 6.109 . 1 #________________________________________________ 269 47 LYS H H 9.876 . 1 270 47 LYS HA H 5.257 . 1 271 47 LYS HB2 H 1.847 . 2 4272 47 LYS HB3 H 1.562 . 2 4273 47 LYS HG2 H 1.231 . 2 4274 47 LYS HG3 H 1.231 . 2 4275 47 LYS HD2 H 1.593 . 2 4276 47 LYS HD3 H 1.593 . 2 4277 47 LYS HE2 H 2.89 . 2 4278 47 LYS HE3 H 2.89 . 2 273 47 LYS CA C 55.26 . 1 274 47 LYS CB C 34.86 . 1 4281 47 LYS CG C 24.55 . 1 4280 47 LYS CD C 29.00 . 1 4279 47 LYS CE C 41.62 . 1 275 47 LYS N N 132.271 . 1 #________________________________________________ 276 48 ILE H H 7.909 . 1 277 48 ILE HA H 4.360 . 1 278 48 ILE HB H 1.588 . 1 279 48 ILE CA C 61.132 . 1 280 48 ILE CB C 40.316 . 1 281 48 ILE N N 125.793 . 1 1017 48 ILE CG1 C 27.8 . 1 1018 48 ILE CG2 C 16.594 . 1 1019 48 ILE CD1 C 13.128 . 1 1020 48 ILE HG12 H 1.344 . 2 1021 48 ILE HG13 H 0.993 . 2 1022 48 ILE HG2 H 0.865 . 1 1023 48 ILE HD1 H 0.623 . 1 #________________________________________________ 282 49 GLY H H 9.576 . 1 283 49 GLY HA2 H 4.021 . 2 284 49 GLY HA3 H 3.73 . 2 285 49 GLY CA C 46.91 . 1 286 49 GLY N N 120.665 . 1 #________________________________________________ 287 50 ASP H H 8.935 . 1 288 50 ASP HA H 4.777 . 1 289 50 ASP HB2 H 2.686 . 2 290 50 ASP HB3 H 2.866 . 2 291 50 ASP CA C 54.00 . 1 292 50 ASP CB C 40.52 . 1 293 50 ASP N N 126.343 . 1 #________________________________________________ 294 51 THR H H 8.253 . 1 295 51 THR HA H 4.638 . 1 296 51 THR HB H 4.212 . 1 6696 51 THR HG2 H 1.223 . 1 297 51 THR CA C 61.69 . 1 298 51 THR CB C 71.08 . 1 2298 51 THR CG2 C 71.336 . 1 299 51 THR N N 115.167 . 1 #________________________________________________ 300 52 SER H H 8.710 . 1 301 52 SER HA H 5.318 . 1 302 52 SER HB2 H 3.601 . 2 303 52 SER HB3 H 3.558 . 2 304 52 SER CA C 57.29 . 1 305 52 SER CB C 64.73 . 1 306 52 SER N N 121.442 . 1 #________________________________________________ 307 53 VAL H H 8.448 . 1 308 53 VAL HA H 4.650 . 1 309 53 VAL HB H 1.989 . 1 310 53 VAL HG1 H 0.884 . 2 311 53 VAL HG2 H 0.769 . 2 312 53 VAL CA C 60.449 . 1 313 53 VAL CB C 35.105 . 1 314 53 VAL CG1 C 21.19 . 2 315 53 VAL CG2 C 19.92 . 2 316 53 VAL N N 121.387 . 1 #________________________________________________ 317 54 SER H H 8.761 . 1 318 54 SER HA H 5.76 . 1 319 54 SER HB2 H 3.716 . 2 320 54 SER HB3 H 3.673 . 2 321 54 SER CA C 57.18 . 1 322 54 SER CB C 65.91 . 1 323 54 SER N N 118.025 . 1 #________________________________________________ 324 55 TYR H H 9.34 . 1 325 55 TYR HA H 4.175 . 1 326 55 TYR HB2 H 1.91 . 2 327 55 TYR HB3 H 0.788 . 2 8322 55 TYR HD1 H 5.76 . 2 8323 55 TYR HD2 H 5.76 . 2 8324 55 TYR HE1 H 5.59 . 2 8325 55 TYR HE2 H 5.59 . 2 328 55 TYR CA C 57.1 . 1 329 55 TYR CB C 39.87 . 1 8326 55 TYR CD1 C 132.2 . 2 8327 55 TYR CD2 C 132.2 . 2 8328 55 TYR CE1 C 116.9 . 2 8329 55 TYR CE2 C 116.9 . 2 330 55 TYR N N 128.024 . 1 #________________________________________________ 331 56 LYS H H 7.551 . 1 332 56 LYS HA H 4.89 . 1 333 56 LYS HB2 H 1.419 . 2 334 56 LYS HB3 H 1.574 . 2 7329 56 LYS HG2 H 1.23 . 2 7330 56 LYS HG3 H 1.28 . 2 7331 56 LYS HD2 H 1.59 . 2 7332 56 LYS HD3 H 1.59 . 2 7333 56 LYS HE2 H 2.90 . 2 7334 56 LYS HE3 H 2.90 . 2 335 56 LYS CA C 54.117 . 1 336 56 LYS CB C 33.61 . 1 7335 56 LYS CG C 24.44 . 1 7336 56 LYS CD C 29.2 . 1 7337 56 LYS CE C 41.2 . 1 337 56 LYS N N 127.706 . 1 #________________________________________________ 338 57 TYR H H 8.247 . 1 339 57 TYR HA H 3.996 . 1 340 57 TYR HB2 H 2.769 . 2 341 57 TYR HB3 H 3.289 . 2 342 57 TYR CA C 59.032 . 1 343 57 TYR CB C 39.39 . 1 344 57 TYR N N 124.225 . 1 8321 57 TYR HD1 H 6.797 . 2 8319 57 TYR HD2 H 6.797 . 2 8318 57 TYR HE1 H 6.20 . 2 8317 57 TYR HE2 H 6.20 . 2 8316 57 TYR CD1 C 133.6 . 2 8315 57 TYR CD2 C 133.6 . 2 8314 57 TYR CE1 C 117.3 . 2 8313 57 TYR CE2 C 117.3 . 2 #________________________________________________ 345 58 THR H H 8.722 . 1 346 58 THR HB H 4.609 . 1 347 58 THR HA H 4.259 . 1 7347 58 THR HG2 H 1.437 . 1 348 58 THR CA C 62.25 . 1 349 58 THR CB C 69.28 . 1 7349 58 THR CG2 C 21.62 . 1 350 58 THR N N 116.096 . 1 #________________________________________________ 351 59 SER H H 8.402 . 1 352 59 SER HA H 4.05 . 1 353 59 SER HB2 H 3.99 . 2 354 59 SER HB3 H 3.966 . 2 355 59 SER CA C 61.68 . 1 356 59 SER CB C 63.21 . 1 357 59 SER N N 114.556 . 1 #________________________________________________ 358 60 ARG H H 8.176 . 1 359 60 ARG HA H 4.489 . 1 360 60 ARG HB2 H 2.029 . 2 361 60 ARG HB3 H 1.750 . 2 6363 60 ARG HG2 H 1.588 . 2 6362 60 ARG HG3 H 1.676 . 2 6361 60 ARG HD2 H 3.20 . 2 6360 60 ARG HD3 H 3.20 . 2 362 60 ARG CA C 54.96 . 1 363 60 ARG CB C 29.846 . 1 6364 60 ARG CG C 26.99 . 1 6365 60 ARG CD C 43.15 . 1 364 60 ARG N N 118.244 . 1 #________________________________________________ 365 61 TYR H H 7.617 . 1 366 61 TYR HA H 3.897 . 1 367 61 TYR HB2 H 3.233 . 2 368 61 TYR HB3 H 2.613 . 2 369 61 TYR CA C 61.93 . 1 370 61 TYR CB C 38.67 . 1 371 61 TYR N N 122.301 . 1 8340 61 TYR HD1 H 6.898 . 2 8341 61 TYR HD2 H 6.898 . 2 8342 61 TYR HE1 H 6.69 . 2 8343 61 TYR HE2 H 6.69 . 2 8344 61 TYR CD1 C 133.0 . 2 8345 61 TYR CD2 C 133.0 . 2 8346 61 TYR CE1 C 117.6 . 2 8347 61 TYR CE2 C 117.6 . 2 #______________________________________________ 372 62 VAL H H 7.363 . 1 373 62 VAL HA H 3.893 . 1 374 62 VAL HB H 1.589 . 1 375 62 VAL HG1 H 0.387 . 2 376 62 VAL HG2 H 0.707 . 2 377 62 VAL CA C 60.59 . 1 378 62 VAL CB C 35.27 . 1 379 62 VAL CG1 C 20.473 . 2 380 62 VAL CG2 C 20.779 . 2 381 62 VAL N N 129.952 . 1 #________________________________________________ 382 63 LEU H H 7.852 . 1 383 63 LEU HA H 4.558 . 1 384 63 LEU HB2 H 1.423 . 2 385 63 LEU HB3 H 1.837 . 2 7382 63 LEU HG H 1.63 . 1 7383 63 LEU HD1 H 0.881 . 2 7384 63 LEU HD2 H 0.881 . 2 386 63 LEU CA C 51.98 . 1 387 63 LEU CB C 42.60 . 1 7385 63 LEU CG C 27.0 . 1 7386 63 LEU CD1 C 23.47 . 2 7387 63 LEU CD2 C 23.47 . 2 388 63 LEU N N 128.635 . 1 #________________________________________________ 389 64 LYS H H 8.77 . 1 390 64 LYS HA H 3.722 . 1 391 64 LYS HB2 H 1.791 . 2 392 64 LYS HB3 H 1.465 . 2 7390 64 LYS HG2 H 1.456 . 2 7391 64 LYS HG3 H 1.148 . 2 7392 64 LYS HD2 H 1.591 . 2 7393 64 LYS HD3 H 1.591 . 2 7394 64 LYS HE2 H 2.93 . 2 7395 64 LYS HE3 H 2.93 . 2 393 64 LYS CA C 57.36 . 1 394 64 LYS CB C 32.381 . 1 7396 64 LYS CG C 25.887 . 1 7397 64 LYS CD C 28.6 . 1 7398 64 LYS CE C 41.72 . 1 395 64 LYS N N 130.633 . 1 #________________________________________________ 396 65 ALA H H 8.628 . 1 397 65 ALA HA H 3.557 . 1 398 65 ALA HB H 1.042 . 1 399 65 ALA CA C 53.7 . 1 400 65 ALA CB C 18.66 . 1 401 65 ALA N N 123.214 . 1 #________________________________________________ 402 66 GLY H H 7.505 . 1 403 66 GLY HA2 H 4.020 . 2 404 66 GLY HA3 H 4.020 . 2 405 66 GLY CA C 46.864 . 1 406 66 GLY N N 112.913 . 1 #________________________________________________ 407 67 GLN H H 8.136 . 1 408 67 GLN HA H 4.436 . 1 409 67 GLN HB2 H 1.982 . 2 410 67 GLN HB3 H 2.32 . 2 411 67 GLN HG2 H 2.396 . 2 8411 67 GLN HG3 H 2.396 . 2 412 67 GLN CA C 55.029 . 1 413 67 GLN CB C 29.7 . 1 414 67 GLN CG C 34.376 . 1 415 67 GLN N N 118.759 . 1 1001 67 GLN NE2 N 114.1 . 1 1002 67 GLN HE21 H 6.875 . 2 1003 67 GLN HE22 H 7.463 . 2 #________________________________________________ 416 68 THR H H 8.066 . 1 417 68 THR HA H 5.414 . 1 418 68 THR HB H 4.064 . 1 7418 68 THR HG2 H 1.13 . 1 419 68 THR CA C 60.05 . 1 420 68 THR CB C 72.052 . 1 421 68 THR CG2 C 20.69 . 1 7421 68 THR N N 111.842 . 1 #________________________________________________ 422 69 VAL H H 8.780 . 1 423 69 VAL HA H 4.989 . 1 424 69 VAL HB H 2.345 . 1 425 69 VAL HG1 H 0.9535 . 2 7425 69 VAL HG2 H 0.9535 . 2 426 69 VAL CA C 59.265 . 1 427 69 VAL CB C 33.6 . 1 428 69 VAL CG1 C 19.99 . 2 429 69 VAL CG2 C 19.99 . 2 430 69 VAL N N 120.958 . 1 #________________________________________________ 431 70 THR H H 8.66 . 1 432 70 THR HA H 4.618 . 1 433 70 THR HB H 4.07 . 1 7433 70 THR HG2 H -.183 . 1 434 70 THR CA C 61.73 . 1 435 70 THR CB C 69.55 . 1 7435 70 THR CG2 C 21.3 . 1 436 70 THR N N 125.533 . 1 #________________________________________________ 437 71 ILE H H 8.994 . 1 438 71 ILE HA H 4.369 . 1 439 71 ILE HB H 1.552 . 1 440 71 ILE CA C 59.162 . 1 441 71 ILE CB C 36.826 . 1 442 71 ILE N N 127.838 . 1 1024 71 ILE CG1 C 27.475 . 1 1025 71 ILE CG2 C 18.477 . 1 1026 71 ILE CD1 C 13.331 . 1 1027 71 ILE HG12 H 0.755 . 2 1028 71 ILE HG13 H 0.625 . 2 1029 71 ILE HG2 H 0.013 . 1 1030 71 ILE HD1 H 0.245 . 1 #________________________________________________ 443 72 TRP H H 9.27 . 1 444 72 TRP HA H 5.167 . 1 445 72 TRP HB2 H 3.41 . 2 446 72 TRP HB3 H 3.034 . 2 447 72 TRP CA C 56.18 . 1 448 72 TRP CB C 31.49 . 1 449 72 TRP N N 127.112 . 1 906 72 TRP CD1 C 126.7 . 1 907 72 TRP HD1 H 7.026 . 1 908 72 TRP NE1 N 132.2 . 1 909 72 TRP HE1 H 11.50 . 1 910 72 TRP CZ2 C 114.3 . 1 911 72 TRP HZ2 H 7.182 . 1 912 72 TRP CH2 C 124.1 . 1 913 72 TRP HH2 H 6.88 . 1 914 72 TRP CZ3 C 121.3 . 1 915 72 TRP HZ3 H 7.075 . 1 916 72 TRP CE3 C 121.050 . 1 917 72 TRP HE3 H 7.567 . 1 #________________________________________________ 450 73 ALA H H 9.010 . 1 451 73 ALA HA H 4.617 . 1 452 73 ALA HB H 1.611 . 1 453 73 ALA CA C 52.11 . 1 454 73 ALA CB C 19.07 . 1 455 73 ALA N N 122.140 . 1 #________________________________________________ 456 74 ALA H H 9.002 . 1 457 74 ALA HA H 4.042 . 1 458 74 ALA HB H 1.59 . 1 459 74 ALA CA C 54.65 . 1 460 74 ALA CB C 18.07 . 1 461 74 ALA N N 123.213 . 1 #________________________________________________ 462 75 ASN H H 8.162 . 1 463 75 ASN HA H 5.015 . 1 464 75 ASN HB2 H 2.676 . 2 465 75 ASN HB3 H 3.213 . 2 466 75 ASN CA C 51.65 . 1 467 75 ASN CB C 36.59 . 1 468 75 ASN N N 112.259 . 1 903 75 ASN ND2 N 112.6 . 1 904 75 ASN HD21 H 7.24 . 2 905 75 ASN HD22 H 7.826 . 2 #________________________________________________ 469 76 ALA H H 7.605 . 1 470 76 ALA HA H 4.281 . 1 471 76 ALA HB H 1.881 . 1 472 76 ALA CA C 53.203 . 1 473 76 ALA CB C 20.21 . 1 474 76 ALA N N 120.777 . 1 #________________________________________________ 475 77 GLY H H 8.449 . 1 476 77 GLY HA2 H 3.960 . 2 477 77 GLY HA3 H 3.537 . 2 478 77 GLY CA C 45.410 . 1 479 77 GLY N N 107.064 . 1 #________________________________________________ 480 78 VAL H H 7.286 . 1 481 78 VAL HA H 3.804 . 1 482 78 VAL HB H 0.822 . 2 483 78 VAL HG1 H -0.585 . 2 7483 78 VAL HG2 H -0.249 . 2 484 78 VAL CA C 60.736 . 1 485 78 VAL CB C 33.59 . 1 486 78 VAL CG1 C 19.204 . 2 487 78 VAL CG2 C 18.793 . 2 488 78 VAL N N 120.566 . 1 #________________________________________________ 489 79 THR H H 8.148 . 1 490 79 THR HA H 4.145 . 1 491 79 THR HB H 3.972 . 1 7491 79 THR HG2 H 1.24 . 1 492 79 THR CA C 61.395 . 1 493 79 THR CB C 69.62 . 1 7493 79 THR CG2 C 21.3 . 1 494 79 THR N N 121.617 . 1 #________________________________________________ 495 80 ALA H H 8.593 . 1 496 80 ALA HA H 3.703 . 1 497 80 ALA HB H 1.556 . 1 498 80 ALA CA C 53.41 . 1 499 80 ALA CB C 19.18 . 1 500 80 ALA N N 126.311 . 1 #________________________________________________ 501 81 SER H H 9.101 . 1 1502 81 SER HA H 4.747 . 1 502 81 SER HB2 H 3.702 . 2 503 81 SER HB3 H 4.074 . 2 504 81 SER CA C 55.046 . 1 505 81 SER CB C 62.68 . 1 506 81 SER N N 114.816 . 1 #________________________________________________ 507 82 PRO HA H 4.328 . 1 508 82 PRO HB2 H 2.483 . 2 509 82 PRO HB3 H 2.099 . 2 510 82 PRO HG2 H 2.223 . 2 511 82 PRO HG3 H 2.081 . 2 5510 82 PRO HD2 H 3.59 . 2 5511 82 PRO HD3 H 3.85 . 2 512 82 PRO CA C 62.158 . 1 513 82 PRO CB C 30.48 . 1 514 82 PRO CG C 27.808 . 1 515 82 PRO CD C 49.90 . 1 #________________________________________________ 516 83 PRO HA H 4.821 . 1 517 83 PRO HB2 H 2.508 . 2 518 83 PRO HB3 H 2.461 . 2 519 83 PRO HG2 H 1.938 . 2 520 83 PRO HG3 H 2.146 . 2 5519 83 PRO HD2 H 3.664 . 2 5520 83 PRO HD3 H 3.816 . 2 521 83 PRO CA C 64.384 . 1 522 83 PRO CB C 34.75 . 1 523 83 PRO CG C 24.05 . 1 524 83 PRO CD C 49.83 . 1 #________________________________________________ 525 84 THR H H 8.007 . 1 526 84 THR HA H 4.567 . 1 527 84 THR HB H 4.406 . 1 7527 84 THR HG2 H 1.395 . 1 528 84 THR CA C 64.77 . 1 529 84 THR CB C 69.37 . 1 7529 84 THR CG2 C 21.51 . 1 530 84 THR N N 114.629 . 1 #________________________________________________ 531 85 ASP H H 7.952 . 1 532 85 ASP HA H 5.950 . 1 533 85 ASP HB2 H 2.582 . 2 534 85 ASP HB3 H 2.335 . 2 535 85 ASP CA C 54.11 . 1 536 85 ASP CB C 43.51 . 1 537 85 ASP N N 124.539 . 1 #________________________________________________ 538 86 LEU H H 9.271 . 1 539 86 LEU HA H 4.953 . 1 540 86 LEU HB2 H 1.467 . 2 541 86 LEU HB3 H 1.539 . 2 7539 86 LEU HG H 1.452 . 1 7540 86 LEU HD1 H 0.603 . 2 7541 86 LEU HD2 H 0.928 . 2 542 86 LEU CA C 52.23 . 1 543 86 LEU CB C 44.07 . 1 7542 86 LEU CG C 26.99 . 1 7543 86 LEU CD1 C 24.99 . 2 7544 86 LEU CD2 C 22.31 . 2 544 86 LEU N N 124.265 . 1 #________________________________________________ 545 87 ILE H H 8.691 . 1 546 87 ILE HA H 4.802 . 1 547 87 ILE HB H 2.073 . 1 548 87 ILE CA C 58.694 . 1 549 87 ILE CB C 37.945 . 1 550 87 ILE N N 119.475 . 1 1031 87 ILE CG1 C 28.02 . 1 1032 87 ILE CG2 C 17.389 . 1 1033 87 ILE CD1 C 10.495 . 1 1034 87 ILE HG12 H 1.436 . 2 1035 87 ILE HG13 H 1.508 . 2 1036 87 ILE HG2 H 0.957 . 1 1037 87 ILE HD1 H 0.703 . 1 #________________________________________________ 551 88 TRP H H 9.755 . 1 552 88 TRP HA H 4.918 . 1 553 88 TRP HB2 H 2.647 . 2 554 88 TRP HB3 H 3.726 . 2 555 88 TRP CA C 54.900 . 1 556 88 TRP CB C 27.27 . 1 557 88 TRP N N 132.610 . 1 1100 88 TRP NE1 N 127.4 . 1 1101 88 TRP HE1 H 9.907 . 1 1102 88 TRP HD1 H 7.414 . 1 1103 88 TRP HZ2 H 6.989 . 1 1104 88 TRP HH2 H 6.72 . 1 1105 88 TRP HZ3 H 6.388 . 1 1106 88 TRP HE3 H 7.20 . 1 1107 88 TRP CD1 C 123.9 . 1 1108 88 TRP CZ2 C 115.1 . 1 1109 88 TRP CZ3 C 119.8 . 1 1110 88 TRP CH2 C 123.8 . 1 1111 88 TRP CE3 C 124.4 . 1 #________________________________________________ 558 89 LYS H H 8.282 . 1 559 89 LYS HA H 3.996 . 1 560 89 LYS HB2 H 1.913 . 2 561 89 LYS HB3 H 2.015 . 2 2561 89 LYS HG2 H 1.521 . 2 2562 89 LYS HG3 H 1.666 . 2 2563 89 LYS HD2 H 1.818 . 2 2564 89 LYS HD3 H 1.818 . 2 2565 89 LYS HE2 H 3.089 . 2 2566 89 LYS HE3 H 3.089 . 2 562 89 LYS CA C 58.847 . 1 563 89 LYS CB C 32.36 . 1 2569 89 LYS CG C 24.90 . 1 5268 89 LYS CD C 29.12 . 1 2567 89 LYS CE C 41.90 . 1 564 89 LYS N N 125.513 . 1 #________________________________________________ 565 90 ASN H H 8.81 . 1 566 90 ASN HA H 4.434 . 1 567 90 ASN HB2 H 3.069 . 2 568 90 ASN HB3 H 3.048 . 2 569 90 ASN CA C 54.010 . 1 570 90 ASN CB C 37.77 . 1 571 90 ASN N N 114.946 . 1 2900 90 ASN ND2 N 113.0 . 1 2901 90 ASN HD21 H 7.033 . 2 2902 90 ASN HD22 H 7.676 . 2 #________________________________________________ 572 91 GLN H H 7.546 . 1 573 91 GLN HA H 4.412 . 1 574 91 GLN HB2 H 0.929 . 2 575 91 GLN HB3 H 1.22 . 2 576 91 GLN HG2 H 0.784 . 2 577 91 GLN HG3 H 1.373 . 2 578 91 GLN HE21 H 6.780 . 2 579 91 GLN HE22 H 7.408 . 2 580 91 GLN CA C 53.52 . 1 581 91 GLN CB C 28.47 . 1 582 91 GLN CG C 31.692 . 1 583 91 GLN N N 117.746 . 1 584 91 GLN NE2 N 113.000 . 1 #________________________________________________ 585 92 ASN H H 8.451 . 1 586 92 ASN HA H 4.876 . 1 587 92 ASN HB2 H 2.723 . 2 588 92 ASN HB3 H 2.93 . 2 589 92 ASN CA C 52.08 . 1 590 92 ASN CB C 39.40 . 1 591 92 ASN N N 123.697 . 1 900 92 ASN ND2 N 110.0 . 1 901 92 ASN HD21 H 6.675 . 2 902 92 ASN HD22 H 7.399 . 2 #________________________________________________ 592 93 SER H H 9.337 . 1 593 93 SER HA H 3.977 . 1 594 93 SER HB2 H 3.736 . 2 595 93 SER HB3 H 3.516 . 2 596 93 SER CA C 58.94 . 1 597 93 SER CB C 62.94 . 1 598 93 SER N N 117.010 . 1 #________________________________________________ 599 94 TRP H H 7.857 . 1 600 94 TRP HA H 4.905 . 1 601 94 TRP HB2 H 3.426 . 2 602 94 TRP HB3 H 2.941 . 2 603 94 TRP CA C 56.77 . 1 604 94 TRP CB C 27.9 . 1 605 94 TRP N N 120.449 . 1 935 94 TRP CD1 C 128.00 . 1 936 94 TRP HD1 H 7.065 . 1 937 94 TRP NE1 N 131.6 . 1 938 94 TRP HE1 H 10.53 . 1 939 94 TRP CZ2 C 113.4 . 1 940 94 TRP HZ2 H 7.064 . 1 941 94 TRP CH2 C 121.6 . 1 942 94 TRP HH2 H 6.805 . 1 943 94 TRP CZ3 C 120.00 . 1 944 94 TRP HZ3 H 7.02 . 1 #945 94 TRP CE3 C . 1 946 94 TRP HE3 H 7.066 . 1 #________________________________________________ 606 95 GLY H H 7.795 . 1 607 95 GLY HA2 H 3.953 . 2 608 95 GLY HA3 H 3.763 . 2 609 95 GLY CA C 45.487 . 1 610 95 GLY N N 109.481 . 1 #________________________________________________ 611 96 THR H H 8.028 . 1 612 96 THR HA H 4.696 . 1 613 96 THR HB H 4.127 . 1 2613 96 THR HG2 H 1.174 . 1 614 96 THR CA C 60.88 . 1 615 96 THR CB C 70.04 . 1 2615 96 THR CG2 C 20.688 . 1 616 96 THR N N 112.538 . 1 #________________________________________________ 617 97 GLY H H 8.443 . 1 618 97 GLY HA2 H 3.482 . 2 619 97 GLY HA3 H 3.862 . 2 620 97 GLY CA C 45.945 . 1 621 97 GLY N N 111.464 . 1 #________________________________________________ 622 98 GLU H H 8.010 . 1 623 98 GLU HA H 4.471 . 1 624 98 GLU HB2 H 1.87 . 2 625 98 GLU HB3 H 1.973 . 2 626 98 GLU HG2 H 2.414 . 2 627 98 GLU HG3 H 2.210 . 2 628 98 GLU CA C 54.73 . 1 629 98 GLU CB C 30.719 . 1 630 98 GLU CG C 33.35 . 1 631 98 GLU N N 118.563 . 1 #________________________________________________ 632 99 ASP H H 8.68 . 1 633 99 ASP HA H 4.612 . 1 634 99 ASP HB2 H 2.607 . 2 635 99 ASP HB3 H 2.772 . 2 636 99 ASP CA C 54.451 . 1 637 99 ASP CB C 39.540 . 1 638 99 ASP N N 122.219 . 1 #________________________________________________ 639 100 VAL H H 8.215 . 1 640 100 VAL HA H 4.495 . 1 641 100 VAL HB H 1.973 . 1 642 100 VAL HG1 H 0.827 . 2 2642 100 VAL HG2 H 0.589 . 2 643 100 VAL CA C 60.920 . 1 644 100 VAL CB C 34.15 . 1 645 100 VAL CG1 C 20.63 . 2 2645 100 VAL CG2 C 21.166 . 2 646 100 VAL N N 123.901 . 1 #________________________________________________ 647 101 LYS H H 8.600 . 1 648 101 LYS HA H 5.112 . 1 649 101 LYS HB2 H 1.761 . 2 650 101 LYS HB3 H 1.761 . 2 2655 101 LYS HG2 H 1.226 . 2 2654 101 LYS HG3 H 1.372 . 2 2653 101 LYS HD2 H 1.60 . 2 2652 101 LYS HD3 H 1.60 . 2 2651 101 LYS HE2 H 2.868 . 2 2650 101 LYS HE3 H 2.868 . 2 651 101 LYS CA C 54.718 . 1 652 101 LYS CB C 35.326 . 1 653 101 LYS CG C 24.826 . 1 654 101 LYS CD C 29.400 . 1 655 101 LYS CE C 41.984 . 1 656 101 LYS N N 126.635 . 1 #________________________________________________ 657 102 VAL H H 9.209 . 1 658 102 VAL HA H 5.405 . 1 659 102 VAL HB H 1.850 . 1 660 102 VAL HG1 H 0.894 . 2 661 102 VAL HG2 H 0.894 . 2 662 102 VAL CA C 59.95 . 1 663 102 VAL CB C 34.42 . 1 664 102 VAL CG1 C 21.47 . 2 665 102 VAL CG2 C 21.87 . 2 666 102 VAL N N 125.573 . 1 #________________________________________________ 667 103 ILE H H 8.968 . 1 668 103 ILE HA H 4.671 . 1 669 103 ILE HB H 1.66 . 1 670 103 ILE HG12 H 1.071 . 2 671 103 ILE HG13 H 1.414 . 2 1672 103 ILE HG2 H 0.9126 . 1 672 103 ILE HD1 H 0.809 . 1 673 103 ILE CA C 59.79 . 1 674 103 ILE CB C 42.522 . 1 675 103 ILE CG1 C 28.072 . 1 676 103 ILE CG2 C 18.25 . 1 677 103 ILE CD1 C 14.296 . 1 678 103 ILE N N 125.593 . 1 #________________________________________________ 679 104 LEU H H 9.017 . 1 680 104 LEU HA H 5.361 . 1 681 104 LEU HB2 H 1.983 . 2 682 104 LEU HB3 H 1.036 . 2 683 104 LEU HG H 0.924 . 1 684 104 LEU HD1 H 1.073 . 2 8684 104 LEU HD2 H 1.073 . 2 685 104 LEU CA C 52.8 . 1 686 104 LEU CB C 46.2 . 1 687 104 LEU CG C 26.630 . 1 688 104 LEU CD1 C 23.5 . 2 2688 104 LEU CD2 C 23.5 . 2 689 104 LEU N N 127.791 . 1 #________________________________________________ 690 105 LYS H H 9.674 . 1 691 105 LYS HA H 5.194 . 1 692 105 LYS HB2 H 1.712 . 2 693 105 LYS HB3 H 1.436 . 2 694 105 LYS HG2 H 1.256 . 2 695 105 LYS HG3 H 0.919 . 2 8694 105 LYS HD2 H 1.477 . 2 8695 105 LYS HD3 H 1.582 . 2 696 105 LYS HE2 H 2.764 . 2 697 105 LYS HE3 H 2.764 . 2 698 105 LYS CA C 53.78 . 1 699 105 LYS CB C 36.33 . 1 700 105 LYS CG C 25.12 . 1 701 105 LYS CD C 29.64 . 1 702 105 LYS CE C 41.6 . 1 703 105 LYS N N 126.536 . 1 #________________________________________________ 704 106 ASN H H 7.774 . 1 705 106 ASN HA H 2.714 . 1 706 106 ASN HB2 H 2.714 . 2 707 106 ASN HB3 H 1.388 . 2 708 106 ASN CA C 49.53 . 1 709 106 ASN CB C 36.94 . 1 710 106 ASN N N 116.550 . 1 2710 106 ASN ND2 N 112.3 . 1 2711 106 ASN HD21 H 7.449 . 2 2712 106 ASN HD22 H 7.383 . 2 #________________________________________________ 711 107 SER H H 6.988 . 1 712 107 SER HA H 4.092 . 1 713 107 SER HB2 H 4.151 . 2 714 107 SER HB3 H 4.151 . 2 715 107 SER CA C 60.49 . 1 716 107 SER CB C 62.51 . 1 717 107 SER N N 112.4 . 1 #________________________________________________ 718 108 GLN H H 7.414 . 1 719 108 GLN HA H 4.404 . 1 720 108 GLN HB2 H 1.89 . 2 721 108 GLN HB3 H 2.238 . 2 722 108 GLN HG2 H 2.297 . 2 723 108 GLN HG3 H 2.256 . 2 724 108 GLN HE21 H 6.780 . 2 725 108 GLN HE22 H 7.445 . 2 726 108 GLN CA C 55.47 . 1 727 108 GLN CB C 28.4 . 1 728 108 GLN CG C 34.543 . 1 729 108 GLN N N 119.000 . 1 730 108 GLN NE2 N 112.6 . 1 #________________________________________________ 731 109 GLY H H 7.835 . 1 732 109 GLY HA2 H 4.136 . 2 733 109 GLY HA3 H 3.530 . 2 734 109 GLY CA C 45.549 . 1 735 109 GLY N N 107.333 . 1 #________________________________________________ 736 110 GLU H H 7.562 . 1 737 110 GLU HA H 4.209 . 1 738 110 GLU HB2 H 1.734 . 2 739 110 GLU HB3 H 1.731 . 2 740 110 GLU HG2 H 2.080 . 2 741 110 GLU HG3 H 2.085 . 2 742 110 GLU CA C 54.32 . 1 743 110 GLU CB C 29.760 . 1 744 110 GLU CG C 35.231 . 1 745 110 GLU N N 120.137 . 1 #________________________________________________ 746 111 GLU H H 8.799 . 1 747 111 GLU HA H 4.194 . 1 748 111 GLU HB2 H 1.952 . 2 749 111 GLU HB3 H 1.862 . 2 750 111 GLU HG2 H 2.295 . 2 751 111 GLU HG3 H 1.979 . 2 752 111 GLU CA C 57.16 . 1 753 111 GLU CB C 29.175 . 1 754 111 GLU CG C 35.45 . 1 755 111 GLU N N 123.867 . 1 #________________________________________________ 756 112 VAL H H 9.093 . 1 757 112 VAL HA H 4.330 . 1 758 112 VAL HB H 2.03 . 1 759 112 VAL HG1 H 0.524 . 2 760 112 VAL HG2 H 0.851 . 2 761 112 VAL CA C 61.529 . 1 762 112 VAL CB C 33.23 . 1 763 112 VAL CG1 C 19.357 . 2 764 112 VAL CG2 C 21.273 . 2 765 112 VAL N N 122.642 . 1 #________________________________________________ 766 113 ALA H H 7.793 . 1 767 113 ALA HA H 4.770 . 1 768 113 ALA HB H 1.573 . 1 769 113 ALA CA C 52.449 . 1 770 113 ALA CB C 22.4 . 1 771 113 ALA N N 121.070 . 1 #________________________________________________ 772 114 GLN H H 8.45 . 1 773 114 GLN HA H 5.404 . 1 774 114 GLN HB2 H 2.050 . 2 775 114 GLN HB3 H 2.120 . 2 776 114 GLN HG2 H 2.299. 2 777 114 GLN HG3 H 2.215 . 2 778 114 GLN HE21 H 6.739 . 2 779 114 GLN HE22 H 7.806 . 2 780 114 GLN CA C 54.83 . 1 781 114 GLN CB C 32.307 . 1 782 114 GLN CG C 32.54 . 1 783 114 GLN N N 115.851 . 1 784 114 GLN NE2 N 112.00 . 1 #________________________________________________ 785 115 ARG H H 8.989 . 1 786 115 ARG HA H 4.555 . 1 787 115 ARG HB2 H 1.467 . 2 788 115 ARG HB3 H 2.007 . 2 789 115 ARG HG2 H 1.847 . 2 790 115 ARG HG3 H 1.610 . 2 2790 115 ARG HD2 H 2.986 . 2 2791 115 ARG HD3 H 3.219 . 2 791 115 ARG CA C 56.35 . 1 792 115 ARG CB C 33.73 . 1 793 115 ARG CG C 28.167 . 1 794 115 ARG CD C 43.170 . 1 795 115 ARG N N 122.920 . 1 #________________________________________________ 796 116 SER H H 8.511 . 1 797 116 SER HA H 5.756 . 1 798 116 SER HB2 H 3.838 . 2 799 116 SER HB3 H 3.888 . 2 800 116 SER CA C 56.4 . 1 801 116 SER CB C 65.77 . 1 802 116 SER N N 119.807 . 1 #________________________________________________ 803 117 THR H H 8.801 . 1 804 117 THR HA H 4.378 . 1 2805 117 THR HB H 4.23 . 1 805 117 THR HG2 H 1.242 . 1 806 117 THR CA C 62.16 . 1 807 117 THR CB C 70.01 . 1 808 117 THR CG2 C 22.753 . 1 809 117 THR N N 116.435 . 1 #________________________________________________ 810 118 VAL H H 8.165 . 1 811 118 VAL HA H 4.227 . 1 812 118 VAL HB H 1.959 . 1 813 118 VAL HG1 H 0.876 . 2 814 118 VAL HG2 H 0.876 . 2 815 118 VAL CA C 61.32 . 1 816 118 VAL CB C 32.931 . 1 817 118 VAL CG1 C 20.585 . 2 818 118 VAL CG2 C 20.585 . 2 819 118 VAL N N 122.111 . 1 #________________________________________________ 820 119 PHE H H 8.58 . 1 821 119 PHE HA H 4.655 . 1 822 119 PHE HB2 H 3.08 . 2 823 119 PHE HB3 H 2.97 . 2 824 119 PHE CA C 57.52 . 1 825 119 PHE CB C 39.55 . 1 826 119 PHE N N 126.006 . 1 858 119 PHE CD1 C 131.8 . 2 859 119 PHE CD2 C 131.8 . 2 860 119 PHE HD1 H 7.268 . 2 861 119 PHE HD2 H 7.268 . 2 862 119 PHE CE1 C 131.8 . 2 863 119 PHE CE2 C 131.8 . 2 864 119 PHE HE1 H 7.36 . 2 865 119 PHE HE2 H 7.36 . 2 #________________________________________________ 827 120 LYS H H 8.346 . 1 828 120 LYS HA H 4.432 . 1 829 120 LYS HB2 H 1.748 . 2 830 120 LYS HB3 H 1.834 . 2 831 120 LYS HG2 H 1.398 . 2 832 120 LYS HG3 H 1.434 . 2 833 120 LYS HD2 H 1.664 . 2 834 120 LYS HD3 H 1.664 . 2 835 120 LYS HE2 H 2.973 . 2 836 120 LYS HE3 H 2.976 . 2 837 120 LYS CA C 55.74 . 1 838 120 LYS CB C 33.29 . 1 839 120 LYS CG C 24.83 . 1 840 120 LYS CD C 29.190 . 1 841 120 LYS CE C 42.102 . 1 842 120 LYS N N 124.095 . 1 #________________________________________________ 843 121 THR H H 8.294 . 1 844 121 THR HB H 4.293 . 1 845 121 THR CA C 61.61 . 1 846 121 THR CB C 69.64 . 1 847 121 THR CG2 C 21.593 . 1 848 121 THR N N 116.359 . 1 856 121 THR HG2 H 1.223 . 1 857 121 THR HA H 4.394 . 1 #________________________________________________ 849 122 THR H H 7.809 . 1 850 122 THR HA H 4.17 . 1 9850 122 THR HB H 4.27 . 1 851 122 THR CA C 62.83 . 1 852 122 THR CB C 70.30 . 1 853 122 THR CG2 C 21.764 . 1 854 122 THR N N 121.0 . 1 855 122 THR HG2 H 1.193 . 1 #________________________________________________ stop_ save_