============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. PHE 8 1.000 20.978 -30.618 -23.950 -99.200 -91.000 PHE 10 1.000 13.996 -23.595 -24.556 -99.200 -91.000 HIS 17 0.900 27.554 -11.132 -29.992 -99.200 -91.000 TYR 20 0.840 28.339 -23.361 -25.895 -99.200 -91.000 HIS 25 0.900 28.354 -28.341 -22.558 -99.200 -91.000 TYR 33 0.840 26.469 -20.609 -10.962 -99.200 -91.000 TYR 41 0.840 31.753 -6.673 -2.052 -99.200 -91.000 TYR 46 0.840 35.206 -16.190 -9.299 -99.200 -91.000 TYR 53 0.840 34.754 -25.189 -15.716 -99.200 -91.000 TYR 56 0.840 32.272 -32.622 -8.342 -99.200 -91.000 PHE 61 1.000 29.238 -29.210 -12.987 -99.200 -91.000 PHE 66 1.000 22.981 -18.770 -21.144 -99.200 -91.000 PHE 71 1.000 16.395 -2.334 -23.295 -99.200 -91.000 PHE 85 1.000 28.835 1.538 -5.278 -99.200 -91.000 PHE 90 1.000 31.669 -13.761 -14.584 -99.200 -91.000 PHE 94 1.000 32.287 -20.186 -14.630 -99.200 -91.000 HIS 108 0.900 17.652 -17.484 -24.821 -99.200 -91.000 TYR 111 0.840 18.468 -17.704 -17.738 -99.200 -91.000 TYR 113 0.840 12.668 -26.164 -20.304 -99.200 -91.000 TRP 129 1.040 18.750 -12.706 -4.775 -99.200 -91.000 TRP6 129 1.020 19.042 -10.526 -3.909 -99.200 -91.000 PHE 131 1.000 28.329 -15.438 -10.256 -99.200 -91.000 PHE 134 1.000 16.942 -21.709 -13.276 -99.200 -91.000 PHE 146 1.000 21.182 -25.974 -6.031 -99.200 -91.000