============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. PHE 11 1.000 28.952 -2.015 8.707 -99.200 -91.000 TYR 30 0.840 13.344 -5.873 7.898 -99.200 -91.000 HIS 36 0.900 15.753 -20.233 2.304 -99.200 -91.000 TRP 45 1.040 18.855 -7.111 7.623 -99.200 -91.000 TRP6 45 1.020 20.002 -8.700 8.930 -99.200 -91.000 HIS 53 0.900 12.945 1.586 8.553 -99.200 -91.000 HIS 56 0.900 13.305 -6.301 19.083 -99.200 -91.000 PHE 57 1.000 17.384 -11.455 14.131 -99.200 -91.000 TYR 78 0.840 23.436 -4.837 13.665 -99.200 -91.000 PHE 82 1.000 22.029 -14.877 10.913 -99.200 -91.000 TYR 88 0.840 18.739 -18.514 13.627 -99.200 -91.000 TYR 90 0.840 14.934 -9.884 9.813 -99.200 -91.000 HIS 91 0.900 10.130 -7.242 16.104 -99.200 -91.000 HIS 95 0.900 8.545 2.320 11.550 -99.200 -91.000 PHE 97 1.000 4.881 -1.121 9.336 -99.200 -91.000