============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. PHE 11 1.000 43.736 -1.250 -7.670 -99.200 -91.000 PHE 27 1.000 48.205 1.071 -3.819 -99.200 -91.000 TRP 31 1.040 58.980 -3.005 3.739 -99.200 -91.000 TRP6 31 1.020 59.108 -0.696 3.317 -99.200 -91.000 PHE 41 1.000 41.962 7.159 11.723 -99.200 -91.000 PHE 42 1.000 42.297 1.968 4.792 -99.200 -91.000 HIS 43 0.900 41.366 -3.042 9.061 -99.200 -91.000 TYR 49 0.840 33.811 8.581 7.181 -99.200 -91.000 PHE 54 1.000 37.275 3.141 4.328 -99.200 -91.000 PHE 76 1.000 46.487 6.029 3.738 -99.200 -91.000 PHE 78 1.000 42.079 9.398 -0.501 -99.200 -91.000 PHE 79 1.000 41.987 4.893 -7.699 -99.200 -91.000 PHE 88 1.000 46.913 11.248 2.568 -99.200 -91.000