============================================================================= 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. PHE 22 1.000 -16.507 -8.564 1.880 -99.200 -91.000 HIS 26 0.900 -9.281 -10.491 10.153 -99.200 -91.000 TYR 29 0.840 -10.030 -5.987 12.946 -99.200 -91.000 TRP 31 1.040 -18.136 -1.993 11.745 -99.200 -91.000 TRP6 31 1.020 -19.198 0.054 11.286 -99.200 -91.000 PHE 33 1.000 -12.342 0.463 6.371 -99.200 -91.000 TYR 34 0.840 -17.875 -6.027 6.329 -99.200 -91.000 HIS 45 0.900 -24.505 16.951 3.467 -99.200 -91.000 TYR 47 0.840 -16.092 9.883 0.918 -99.200 -91.000 HIS 53 0.900 -10.704 8.024 -9.485 -99.200 -91.000 TYR 69 0.840 -9.673 -5.717 -9.110 -99.200 -91.000 PHE 75 1.000 -7.339 -7.977 -4.323 -99.200 -91.000 PHE 83 1.000 -7.347 -0.903 3.949 -99.200 -91.000 TYR 87 0.840 -4.975 4.963 6.081 -99.200 -91.000 TYR 89 0.840 -14.633 12.667 4.639 -99.200 -91.000 HIS 94 0.900 -13.797 8.871 12.738 -99.200 -91.000 PHE 107 1.000 -4.021 -5.678 0.663 -99.200 -91.000 PHE 111 1.000 -1.062 -7.422 -2.764 -99.200 -91.000