============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 33 1.000 40.906 18.058 19.415 -99.200 -91.000 HIS 41 0.900 50.321 18.221 15.279 -99.200 -91.000 HIS 49 0.900 54.558 25.683 4.414 -99.200 -91.000 TYR 55 0.840 52.555 42.013 3.059 -99.200 -91.000 TYR 66 0.840 38.776 16.930 23.092 -99.200 -91.000 PHE 81 1.000 31.616 7.862 14.972 -99.200 -91.000 HIS 100 0.900 37.669 17.648 26.742 -99.200 -91.000 PHE 109 1.000 29.234 33.188 18.023 -99.200 -91.000 HIS 125 0.900 22.208 26.344 25.204 -99.200 -91.000 HIS 127 0.900 25.445 17.249 26.422 -99.200 -91.000 TYR 149 0.840 25.847 30.444 -8.505 -99.200 -91.000 TYR 150 0.840 21.266 25.969 -7.424 -99.200 -91.000 HIS 165 0.900 15.045 36.006 5.242 -99.200 -91.000 HIS 170 0.900 22.029 22.421 6.714 -99.200 -91.000 TYR 180 0.840 9.288 36.509 4.776 -99.200 -91.000 PHE 190 1.000 13.499 41.071 -10.896 -99.200 -91.000 PHE 205 1.000 11.119 27.972 -3.811 -99.200 -91.000 HIS 219 0.900 30.082 8.894 -8.336 -99.200 -91.000 TYR 223 0.840 35.568 19.335 0.070 -99.200 -91.000 TYR 237 0.840 32.017 36.433 18.547 -99.200 -91.000 TYR 255 0.840 9.900 31.889 13.488 -99.200 -91.000 HIS 257 0.900 7.662 25.178 17.299 -99.200 -91.000 PHE 261 1.000 20.065 25.978 20.318 -99.200 -91.000 PHE 289 1.000 10.176 27.807 12.456 -99.200 -91.000 HIS 304 0.900 18.296 13.405 24.807 -99.200 -91.000 HIS 306 0.900 25.479 4.409 22.226 -99.200 -91.000