============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 3 1.000 -42.137 -16.546 -48.211 -99.200 -91.000 HIS 8 0.900 -48.142 -9.648 -60.769 -99.200 -91.000 TRP 19 1.040 -50.895 -35.996 -36.481 -99.200 -91.000 TRP6 19 1.020 -49.414 -37.799 -36.632 -99.200 -91.000 PHE 63 1.000 -51.597 -19.835 -55.070 -99.200 -91.000 TRP 81 1.040 -48.975 -45.333 -37.648 -99.200 -91.000 TRP6 81 1.020 -49.715 -43.648 -39.117 -99.200 -91.000 PHE 91 1.000 -54.851 -43.569 -50.492 -99.200 -91.000 TRP 97 1.040 -46.251 -45.996 -60.146 -99.200 -91.000 TRP6 97 1.020 -45.452 -47.451 -58.479 -99.200 -91.000