============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 15 1.040 -30.154 15.580 -36.294 -99.200 -91.000 TRP6 15 1.020 -28.055 15.870 -37.315 -99.200 -91.000 PHE 21 1.000 -26.539 18.283 -21.414 -99.200 -91.000 TYR 22 0.840 -28.938 27.480 -20.990 -99.200 -91.000 TRP 29 1.040 -21.138 21.259 -22.833 -99.200 -91.000 TRP6 29 1.020 -20.940 23.166 -21.484 -99.200 -91.000 PHE 32 1.000 -25.252 17.512 -31.755 -99.200 -91.000 PHE 41 1.000 -22.780 4.475 -45.315 -99.200 -91.000 TRP 42 1.040 -27.897 3.519 -44.175 -99.200 -91.000 TRP6 42 1.020 -27.099 1.889 -45.717 -99.200 -91.000 HIS 44 0.900 -23.875 12.869 -47.716 -99.200 -91.000 TYR 72 0.840 -27.855 22.306 -49.620 -99.200 -91.000 PHE 74 1.000 -30.342 26.860 -45.548 -99.200 -91.000 TYR 100 0.840 -38.612 19.541 -41.097 -99.200 -91.000 PHE 125 1.000 -52.974 14.021 -29.661 -99.200 -91.000 TYR 126 0.840 -53.728 18.094 -30.087 -99.200 -91.000 PHE 134 1.000 -44.563 4.040 -34.505 -99.200 -91.000 PHE 144 1.000 -30.946 12.668 -40.183 -99.200 -91.000 PHE 147 1.000 -37.840 11.436 -41.893 -99.200 -91.000 PHE 159 1.000 -25.156 -4.800 -42.346 -99.200 -91.000