============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. TYR 19 0.840 -79.816 -37.575 2.070 -99.200 -91.000 PHE 24 1.000 -71.923 -46.023 -0.573 -99.200 -91.000 TYR 33 0.840 -62.175 -26.081 -6.524 -99.200 -91.000 TYR 36 0.840 -68.560 -25.261 -13.783 -99.200 -91.000 PHE 42 1.000 -70.610 -31.807 3.171 -99.200 -91.000 PHE 55 1.000 -76.522 -41.594 -3.078 -99.200 -91.000 HIS 59 0.900 -84.415 -33.725 -6.529 -99.200 -91.000 HIS 63 0.900 -86.891 -33.770 -3.435 -99.200 -91.000 HIS 68 0.900 -86.699 -24.434 -10.007 -99.200 -91.000 TYR 72 0.840 -79.269 -30.490 -13.333 -99.200 -91.000 TRP 77 1.040 -64.780 -29.846 -11.744 -99.200 -91.000 TRP6 77 1.020 -64.040 -28.814 -13.751 -99.200 -91.000 TRP 86 1.040 -68.164 -48.206 -15.375 -99.200 -91.000 TRP6 86 1.020 -69.089 -49.272 -17.278 -99.200 -91.000 TYR 100 0.840 -92.800 -48.023 -21.034 -99.200 -91.000 PHE 105 1.000 -87.020 -50.469 -10.867 -99.200 -91.000 PHE 111 1.000 -81.486 -35.972 -24.061 -99.200 -91.000 TYR 120 0.840 -79.694 -26.170 -21.464 -99.200 -91.000 PHE 122 1.000 -68.990 -30.002 -16.976 -99.200 -91.000 PHE 123 1.000 -65.736 -28.959 -23.286 -99.200 -91.000 HIS 130 0.900 -70.813 -27.067 -31.293 -99.200 -91.000 PHE 137 1.000 -80.409 -41.988 -21.636 -99.200 -91.000 HIS 157 0.900 -92.189 -51.451 -19.433 -99.200 -91.000 TYR 162 0.840 -86.335 -38.213 -18.176 -99.200 -91.000 PHE 170 1.000 -95.692 -33.037 -10.659 -99.200 -91.000 TRP 179 1.040 -95.178 -33.161 -22.244 -99.200 -91.000 TRP6 179 1.020 -94.338 -31.249 -23.393 -99.200 -91.000 TYR 183 0.840 -92.321 -32.469 -28.367 -99.200 -91.000 TYR 206 0.840 -76.517 -39.767 -16.903 -99.200 -91.000 TYR 215 0.840 -100.301 -45.327 -14.266 -99.200 -91.000 PHE 218 1.000 -101.799 -38.781 -20.549 -99.200 -91.000 TYR 244 0.840 -74.821 -55.410 -3.003 -99.200 -91.000