============================================================================= 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 15 1.000 -4.847 33.474 60.635 -99.200 -91.000 PHE 29 1.000 6.323 33.707 68.768 -99.200 -91.000 HIS 35 0.900 -13.014 38.759 63.408 -99.200 -91.000 HIS 46 0.900 -11.316 34.811 61.095 -99.200 -91.000 TRP 48 1.040 -1.715 31.736 64.967 -99.200 -91.000 TRP6 48 1.020 -0.188 30.499 66.313 -99.200 -91.000 TYR 72 0.840 -16.748 25.452 63.912 -99.200 -91.000 PHE 97 1.000 4.143 28.405 70.349 -99.200 -91.000 TYR 108 0.840 7.134 22.886 63.903 -99.200 -91.000 PHE 110 1.000 0.369 31.599 60.547 -99.200 -91.000 PHE 111 1.000 -3.934 24.364 61.259 -99.200 -91.000 PHE 114 1.000 -16.575 29.674 61.011 -99.200 -91.000 HIS 117 0.900 -13.129 31.195 58.344 -99.200 -91.000 HIS 126 0.900 11.331 29.641 59.448 -99.200 -91.000