============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 12 0.840 -50.515 38.975 29.462 -99.200 -91.000 PHE 16 1.000 -49.325 33.418 24.353 -99.200 -91.000 TYR 17 0.840 -51.616 29.010 25.095 -99.200 -91.000 PHE 25 1.000 -47.230 24.736 31.921 -99.200 -91.000 HIS 31 0.900 -43.933 19.490 39.376 -99.200 -91.000 PHE 33 1.000 -45.621 25.553 48.601 -99.200 -91.000 PHE 36 1.000 -37.383 26.459 46.118 -99.200 -91.000 PHE 41 1.000 -34.200 26.168 51.430 -99.200 -91.000 PHE 45 1.000 -46.351 30.547 45.902 -99.200 -91.000 PHE 52 1.000 -51.925 33.074 41.095 -99.200 -91.000 TRP 54 1.040 -54.165 28.708 38.821 -99.200 -91.000 TRP6 54 1.020 -52.030 28.550 39.824 -99.200 -91.000 HIS 57 0.900 -53.340 25.868 25.578 -99.200 -91.000 PHE 63 1.000 -48.531 20.402 29.692 -99.200 -91.000 PHE 72 1.000 -54.896 24.269 40.411 -99.200 -91.000 PHE 79 1.000 -49.397 25.590 44.686 -99.200 -91.000 TYR 97 0.840 -37.990 36.487 50.559 -99.200 -91.000 PHE 100 1.000 -36.568 36.838 42.118 -99.200 -91.000 HIS 105 0.900 -45.558 30.546 25.853 -99.200 -91.000 PHE 109 1.000 -47.945 39.109 26.738 -99.200 -91.000 TYR 111 0.840 -41.422 36.812 35.609 -99.200 -91.000 TYR 125 0.840 -25.805 36.619 41.460 -99.200 -91.000 HIS 135 0.900 -41.762 30.955 27.622 -99.200 -91.000 PHE 139 1.000 -32.212 35.140 34.424 -99.200 -91.000 PHE 160 1.000 -40.853 27.028 25.595 -99.200 -91.000 TYR 188 0.840 -30.236 42.574 28.502 -99.200 -91.000 TYR 192 0.840 -30.862 28.745 25.102 -99.200 -91.000 TRP 199 1.040 -41.603 19.400 23.629 -99.200 -91.000 TRP6 199 1.020 -42.208 21.684 23.734 -99.200 -91.000 TYR 202 0.840 -29.708 20.859 29.180 -99.200 -91.000 HIS 219 0.900 -37.738 17.560 41.743 -99.200 -91.000