============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 26 0.840 14.171 -14.924 15.247 -99.200 -91.000 PHE 54 1.000 5.791 0.872 4.890 -99.200 -91.000 HIS 90 0.900 12.867 -1.438 11.082 -99.200 -91.000 TYR 100 0.840 20.247 10.188 12.260 -99.200 -91.000 PHE 101 1.000 14.739 8.569 5.119 -99.200 -91.000 HIS 103 0.900 15.872 12.271 15.539 -99.200 -91.000 PHE 114 1.000 11.055 3.564 13.412 -99.200 -91.000 TYR 162 0.840 22.562 11.564 20.992 -99.200 -91.000 PHE 174 1.000 18.069 -2.032 19.326 -99.200 -91.000 TYR 181 0.840 19.038 3.206 27.478 -99.200 -91.000 TYR 191 0.840 10.036 6.719 36.860 -99.200 -91.000 TYR 192 0.840 9.841 10.946 28.204 -99.200 -91.000 HIS 200 0.900 14.024 16.450 17.457 -99.200 -91.000 PHE 206 1.000 18.791 17.026 6.185 -99.200 -91.000 TYR 221 0.840 35.098 -2.661 9.711 -99.200 -91.000 TYR 223 0.840 39.789 -4.276 6.115 -99.200 -91.000 TYR 229 0.840 39.476 -4.878 -3.807 -99.200 -91.000 TYR 231 0.840 38.334 3.849 -0.103 -99.200 -91.000 HIS 237 0.900 29.363 -1.097 -9.400 -99.200 -91.000 TYR 244 0.840 37.991 4.915 6.684 -99.200 -91.000 HIS 299 0.900 22.552 6.031 14.238 -99.200 -91.000 TYR 320 0.840 22.731 19.929 5.706 -99.200 -91.000 PHE 321 1.000 27.190 13.597 8.383 -99.200 -91.000 HIS 322 0.900 30.817 19.208 13.279 -99.200 -91.000 TYR 324 0.840 19.609 18.591 10.716 -99.200 -91.000