============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 9 0.840 -26.874 26.120 11.406 -99.200 -91.000 HIS 19 0.900 -23.557 32.634 29.941 -99.200 -91.000 PHE 22 1.000 -27.763 30.549 24.039 -99.200 -91.000 HIS 29 0.900 -34.626 28.085 17.343 -99.200 -91.000 PHE 30 1.000 -35.707 18.988 20.556 -99.200 -91.000 HIS 40 0.900 -33.953 12.427 9.680 -99.200 -91.000 TYR 42 0.840 -32.383 22.875 16.280 -99.200 -91.000 HIS 55 0.900 -2.140 15.714 24.788 -99.200 -91.000 TYR 58 0.840 -7.614 26.180 22.969 -99.200 -91.000 TRP 71 1.040 -28.773 14.837 11.178 -99.200 -91.000 TRP6 71 1.020 -28.472 15.943 13.271 -99.200 -91.000 PHE 72 1.000 -31.928 20.798 6.348 -99.200 -91.000 TYR 78 0.840 -31.295 23.767 2.490 -99.200 -91.000 TYR 81 0.840 -34.858 24.289 7.137 -99.200 -91.000 TRP 90 1.040 -36.979 26.821 14.719 -99.200 -91.000 TRP6 90 1.020 -35.311 25.712 13.448 -99.200 -91.000 PHE 91 1.000 -33.720 30.063 9.715 -99.200 -91.000 HIS 93 0.900 -36.979 31.072 19.915 -99.200 -91.000 TYR 96 0.840 -36.051 36.664 22.979 -99.200 -91.000 PHE 97 1.000 -32.121 30.536 20.423 -99.200 -91.000 PHE 104 1.000 -18.093 25.402 11.223 -99.200 -91.000