============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 8.727 -20.217 -27.184 -99.200 -91.000 PHE 23 1.000 3.748 -22.783 -24.540 -99.200 -91.000 TRP 31 1.040 -0.396 -24.346 -20.092 -99.200 -91.000 TRP6 31 1.020 -2.209 -23.066 -20.918 -99.200 -91.000 PHE 34 1.000 -2.226 -22.012 -32.098 -99.200 -91.000 HIS 46 0.900 2.033 -7.793 -37.442 -99.200 -91.000 PHE 54 1.000 -6.517 -17.500 -31.726 -99.200 -91.000 TYR 59 0.840 -5.669 -20.529 -28.466 -99.200 -91.000 TYR 68 0.840 13.819 -6.052 -24.154 -99.200 -91.000 TRP 69 1.040 13.457 -6.439 -18.592 -99.200 -91.000 TRP6 69 1.020 13.509 -4.192 -19.270 -99.200 -91.000 PHE 77 1.000 9.709 -9.908 -8.798 -99.200 -91.000 HIS 78 0.900 7.614 -9.575 -13.214 -99.200 -91.000 HIS 80 0.900 7.345 -17.314 -17.495 -99.200 -91.000 PHE 85 1.000 -5.672 -15.125 -25.446 -99.200 -91.000 TYR 95 0.840 -9.172 -12.887 -29.802 -99.200 -91.000 TYR 104 0.840 12.990 -5.417 -9.550 -99.200 -91.000 TYR 106 0.840 3.995 -8.859 -16.461 -99.200 -91.000