============================================================================= 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 14 1.000 -21.978 29.926 -41.667 -99.200 -91.000 PHE 26 1.000 -7.044 35.328 -48.271 -99.200 -91.000 HIS 27 0.900 -0.528 30.382 -47.500 -99.200 -91.000 TYR 30 0.840 -4.667 38.229 -51.775 -99.200 -91.000 TYR 44 0.840 -18.386 45.555 -27.369 -99.200 -91.000 PHE 72 1.000 -31.807 27.372 -41.442 -99.200 -91.000 PHE 80 1.000 -36.833 10.565 -35.164 -99.200 -91.000 HIS 84 0.900 -37.981 7.423 -33.225 -99.200 -91.000 HIS 89 0.900 -49.713 21.441 -36.876 -99.200 -91.000 TYR 98 0.840 -37.752 11.188 -28.359 -99.200 -91.000 TYR 102 0.840 -28.169 25.844 -31.821 -99.200 -91.000 PHE 103 1.000 -27.553 23.810 -24.776 -99.200 -91.000 PHE 110 1.000 -36.427 22.498 -34.422 -99.200 -91.000 HIS 111 0.900 -39.571 30.957 -34.305 -99.200 -91.000 PHE 112 1.000 -41.348 23.496 -38.462 -99.200 -91.000 TYR 125 0.840 -33.840 18.544 -25.251 -99.200 -91.000 TYR 134 0.840 -29.810 21.417 -34.890 -99.200 -91.000 PHE 150 1.000 -23.822 25.279 -45.178 -99.200 -91.000 TRP 166 1.040 -46.753 22.939 -41.602 -99.200 -91.000 TRP6 166 1.020 -47.637 24.819 -40.465 -99.200 -91.000 TYR 173 0.840 -26.769 40.280 -42.296 -99.200 -91.000 TYR 176 0.840 -16.184 44.558 -42.092 -99.200 -91.000 HIS 181 0.900 -7.947 52.431 -38.647 -99.200 -91.000 PHE 189 1.000 -10.809 36.405 -44.301 -99.200 -91.000 TRP 192 1.040 -10.964 33.725 -50.682 -99.200 -91.000 TRP6 192 1.020 -11.178 32.664 -48.578 -99.200 -91.000