============================================================================= 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 60 1.000 55.753 47.301 -2.579 -99.200 -91.000 PHE 82 1.000 56.169 39.577 -13.496 -99.200 -91.000 TYR 101 0.840 23.728 57.056 20.999 -99.200 -91.000 HIS 109 0.900 31.018 54.168 12.821 -99.200 -91.000 PHE 114 1.000 29.325 53.884 6.613 -99.200 -91.000 PHE 126 1.000 33.699 50.679 -10.055 -99.200 -91.000 PHE 159 1.000 26.535 37.008 2.344 -99.200 -91.000 TYR 168 0.840 35.136 43.876 7.487 -99.200 -91.000 PHE 201 1.000 40.308 32.061 5.996 -99.200 -91.000 PHE 208 1.000 34.168 33.577 22.402 -99.200 -91.000 PHE 215 1.000 35.656 19.070 10.902 -99.200 -91.000 TYR 225 0.840 41.411 34.725 -0.160 -99.200 -91.000 HIS 227 0.900 42.211 24.270 -2.758 -99.200 -91.000 PHE 237 1.000 29.110 27.234 -17.042 -99.200 -91.000