============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TYR 12 0.840 -19.761 26.569 -33.180 -99.200 -91.000 PHE 17 1.000 -21.706 26.661 -21.290 -99.200 -91.000 PHE 19 1.000 -19.063 34.550 -27.892 -99.200 -91.000 TRP 22 1.040 -22.266 38.463 -27.800 -99.200 -91.000 TRP6 22 1.020 -20.243 38.984 -26.693 -99.200 -91.000 TYR 24 0.840 -21.431 43.504 -25.225 -99.200 -91.000 PHE 36 1.000 -11.627 36.299 -32.325 -99.200 -91.000 TYR 37 0.840 -11.896 32.003 -24.894 -99.200 -91.000 PHE 48 1.000 -9.013 27.416 -31.015 -99.200 -91.000 HIS 49 0.900 -3.827 27.438 -32.836 -99.200 -91.000 TRP 57 1.040 -15.713 42.658 -31.101 -99.200 -91.000 TRP6 57 1.020 -14.746 41.613 -32.985 -99.200 -91.000 TRP 64 1.040 -13.943 33.862 -40.280 -99.200 -91.000 TRP6 64 1.020 -12.194 32.484 -39.488 -99.200 -91.000 HIS 67 0.900 -8.267 35.184 -35.445 -99.200 -91.000 TRP 70 1.040 -7.194 44.462 -34.628 -99.200 -91.000 TRP6 70 1.020 -6.067 46.513 -34.259 -99.200 -91.000 TYR 71 0.840 -4.661 39.703 -32.125 -99.200 -91.000 TYR 76 0.840 -9.921 28.338 -35.892 -99.200 -91.000 TYR 85 0.840 -10.029 36.659 -45.344 -99.200 -91.000 HIS 90 0.900 0.270 43.259 -43.880 -99.200 -91.000 HIS 93 0.900 -3.317 46.739 -41.921 -99.200 -91.000