============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 9 0.840 19.156 63.639 48.438 -99.200 -91.000 PHE 21 1.000 19.608 61.895 61.210 -99.200 -91.000 PHE 31 1.000 15.646 62.021 51.529 -99.200 -91.000 HIS 36 0.900 23.711 72.712 50.935 -99.200 -91.000 PHE 54 1.000 15.108 68.355 47.929 -99.200 -91.000 PHE 59 1.000 21.388 77.655 51.179 -99.200 -91.000 TRP 66 1.040 9.184 67.909 54.696 -99.200 -91.000 TRP6 66 1.020 7.772 66.037 54.366 -99.200 -91.000 PHE 85 1.000 22.507 48.595 60.792 -99.200 -91.000 TYR 109 0.840 30.044 56.606 61.600 -99.200 -91.000 TYR 123 0.840 26.782 77.870 54.299 -99.200 -91.000 TRP 147 1.040 27.068 66.473 60.848 -99.200 -91.000 TRP6 147 1.020 29.111 66.916 61.966 -99.200 -91.000 PHE 181 1.000 25.480 69.280 63.883 -99.200 -91.000 TYR 191 0.840 9.913 71.953 56.991 -99.200 -91.000