============================================================================= 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 20 1.000 -10.644 34.064 -4.252 -99.200 -91.000 PHE 23 1.000 -8.761 24.342 -3.041 -99.200 -91.000 PHE 25 1.000 -16.485 34.801 -2.434 -99.200 -91.000 HIS 26 0.900 -19.855 31.170 -1.685 -99.200 -91.000 TYR 46 0.840 -4.380 46.599 8.940 -99.200 -91.000 TYR 47 0.840 -0.726 44.608 1.598 -99.200 -91.000 PHE 48 1.000 -6.030 43.060 -2.056 -99.200 -91.000 TYR 55 0.840 -14.232 35.838 -6.942 -99.200 -91.000 TRP 66 1.040 -9.450 39.656 -21.045 -99.200 -91.000 TRP6 66 1.020 -11.197 38.596 -19.882 -99.200 -91.000 PHE 73 1.000 -11.699 49.661 -30.874 -99.200 -91.000 PHE 77 1.000 -8.041 54.967 -32.617 -99.200 -91.000 TYR 86 0.840 -10.924 44.466 -28.703 -99.200 -91.000 TYR 97 0.840 -1.215 38.511 -18.206 -99.200 -91.000 PHE 104 1.000 -14.733 38.221 -16.730 -99.200 -91.000 TRP 134 1.040 -15.686 52.079 -36.037 -99.200 -91.000 TRP6 134 1.020 -14.999 54.192 -35.395 -99.200 -91.000 HIS 147 0.900 -25.671 40.362 -30.713 -99.200 -91.000 PHE 150 1.000 -21.870 40.769 -25.989 -99.200 -91.000 TRP 152 1.040 -15.007 41.141 -25.244 -99.200 -91.000 TRP6 152 1.020 -16.683 42.032 -23.822 -99.200 -91.000 HIS 157 0.900 -13.162 27.779 -27.793 -99.200 -91.000 TYR 158 0.840 -8.253 29.656 -30.484 -99.200 -91.000 PHE 161 1.000 -14.709 25.914 -24.099 -99.200 -91.000 PHE 178 1.000 -3.124 26.252 -32.290 -99.200 -91.000 PHE 179 1.000 -0.148 34.372 -30.424 -99.200 -91.000