============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 13 1.000 25.909 22.073 28.470 -99.200 -91.000 PHE 15 1.000 18.643 20.797 19.109 -99.200 -91.000 PHE 34 1.000 17.736 0.920 26.411 -99.200 -91.000 TYR 43 0.840 6.306 -0.125 40.540 -99.200 -91.000 HIS 54 0.900 35.629 2.787 35.019 -99.200 -91.000 TRP 57 1.040 20.633 0.836 40.678 -99.200 -91.000 TRP6 57 1.020 18.404 0.366 40.012 -99.200 -91.000 HIS 60 0.900 18.090 -9.767 42.398 -99.200 -91.000 TYR 64 0.840 20.608 -0.774 45.841 -99.200 -91.000 TYR 66 0.840 25.073 2.236 41.503 -99.200 -91.000 TRP 77 1.040 27.115 -2.988 33.769 -99.200 -91.000 TRP6 77 1.020 24.862 -3.458 33.185 -99.200 -91.000 PHE 84 1.000 26.356 7.766 26.466 -99.200 -91.000 HIS 85 0.900 35.407 11.675 29.835 -99.200 -91.000 TYR 97 0.840 27.669 20.363 41.543 -99.200 -91.000 PHE 100 1.000 29.703 13.572 38.117 -99.200 -91.000 TYR 110 0.840 11.721 7.500 31.508 -99.200 -91.000 HIS 119 0.900 14.047 8.169 41.712 -99.200 -91.000 PHE 142 1.000 13.704 15.989 37.124 -99.200 -91.000 PHE 144 1.000 15.464 18.699 41.979 -99.200 -91.000 HIS 160 0.900 16.681 15.650 21.097 -99.200 -91.000 TRP 166 1.040 19.664 15.679 41.720 -99.200 -91.000 TRP6 166 1.020 18.908 15.062 39.568 -99.200 -91.000 PHE 173 1.000 16.660 19.332 47.864 -99.200 -91.000 TYR 174 0.840 12.083 11.606 48.737 -99.200 -91.000 HIS 175 0.900 15.574 12.353 41.556 -99.200 -91.000 PHE 184 1.000 8.712 10.195 14.057 -99.200 -91.000 HIS 185 0.900 13.094 13.863 18.949 -99.200 -91.000 TYR 193 0.840 16.539 5.913 23.822 -99.200 -91.000 PHE 197 1.000 26.678 10.794 31.617 -99.200 -91.000