============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 2 1.000 -25.535 34.238 -51.482 -99.200 -91.000 HIS 21 0.900 -16.206 41.141 -53.082 -99.200 -91.000 PHE 29 1.000 -11.466 25.206 -47.630 -99.200 -91.000 PHE 35 1.000 -17.168 24.411 -56.015 -99.200 -91.000 PHE 36 1.000 -19.541 22.770 -47.981 -99.200 -91.000 HIS 44 0.900 -2.621 27.969 -32.783 -99.200 -91.000 TRP 47 1.040 0.447 28.476 -42.696 -99.200 -91.000 TRP6 47 1.020 2.436 29.524 -43.448 -99.200 -91.000 TYR 54 0.840 -0.827 20.024 -46.888 -99.200 -91.000 HIS 65 0.900 1.268 26.435 -34.690 -99.200 -91.000 PHE 69 1.000 -9.539 25.848 -38.019 -99.200 -91.000 TYR 88 0.840 -16.974 34.953 -45.447 -99.200 -91.000 PHE 101 1.000 -16.518 37.345 -51.216 -99.200 -91.000 HIS 107 0.900 -20.238 25.179 -34.254 -99.200 -91.000