============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 9 1.000 -29.175 53.692 22.169 -99.200 -91.000 TYR 29 0.840 -30.422 52.664 13.305 -99.200 -91.000 TYR 35 0.840 -26.815 48.238 -2.947 -99.200 -91.000 TYR 36 0.840 -34.736 50.890 -3.225 -99.200 -91.000 TYR 38 0.840 -33.876 41.229 -10.286 -99.200 -91.000 TYR 56 0.840 -27.368 35.093 -3.376 -99.200 -91.000 TYR 57 0.840 -20.697 36.837 1.220 -99.200 -91.000 TYR 59 0.840 -18.387 42.616 0.355 -99.200 -91.000 TRP 61 1.040 -15.123 53.107 4.538 -99.200 -91.000 TRP6 61 1.020 -13.344 51.741 5.298 -99.200 -91.000 PHE 91 1.000 -34.245 48.401 -7.895 -99.200 -91.000 HIS 102 0.900 -38.477 36.119 -6.978 -99.200 -91.000 TRP 103 1.040 -35.906 36.565 1.141 -99.200 -91.000 TRP6 103 1.020 -34.978 37.962 -0.543 -99.200 -91.000 PHE 104 1.000 -42.159 34.808 5.723 -99.200 -91.000 TRP 107 1.040 -28.870 33.128 9.217 -99.200 -91.000 TRP6 107 1.020 -28.890 30.790 9.572 -99.200 -91.000 TYR 135 0.840 -20.994 35.788 13.934 -99.200 -91.000 HIS 140 0.900 -36.023 32.301 12.177 -99.200 -91.000 TYR 143 0.840 -44.465 38.977 10.234 -99.200 -91.000 PHE 158 1.000 -28.723 59.821 20.839 -99.200 -91.000 TYR 175 0.840 -18.452 47.089 10.800 -99.200 -91.000 PHE 179 1.000 -28.974 39.454 0.826 -99.200 -91.000 TYR 182 0.840 -34.567 30.202 7.898 -99.200 -91.000 PHE 191 1.000 -31.071 43.131 -2.254 -99.200 -91.000 PHE 199 1.000 -22.420 58.725 12.784 -99.200 -91.000 HIS 211 0.900 -21.477 48.562 -5.751 -99.200 -91.000