============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 3.464 48.205 9.275 -99.200 -91.000 PHE 14 1.000 8.299 53.510 3.018 -99.200 -91.000 PHE 19 1.000 6.800 39.221 -2.303 -99.200 -91.000 PHE 40 1.000 3.443 48.691 -5.155 -99.200 -91.000 PHE 89 1.000 13.333 42.160 7.492 -99.200 -91.000 TYR 102 0.840 -6.086 36.585 7.406 -99.200 -91.000 TRP 111 1.040 12.941 51.553 8.818 -99.200 -91.000 TRP6 111 1.020 10.846 50.519 9.231 -99.200 -91.000