============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 2 1.000 -4.217 101.583 14.852 -99.200 -91.000 PHE 16 1.000 3.412 86.408 16.723 -99.200 -91.000 HIS 17 0.900 -0.286 91.476 16.875 -99.200 -91.000 TYR 38 0.840 17.090 90.583 21.312 -99.200 -91.000 TYR 50 0.840 7.409 81.896 21.360 -99.200 -91.000 HIS 53 0.900 8.434 76.736 29.544 -99.200 -91.000 HIS 54 0.900 8.744 83.579 25.588 -99.200 -91.000 TYR 59 0.840 0.935 88.334 30.618 -99.200 -91.000 HIS 70 0.900 0.435 96.802 13.507 -99.200 -91.000 HIS 86 0.900 -4.883 99.652 28.691 -99.200 -91.000 TYR 91 0.840 0.242 84.962 34.616 -99.200 -91.000 TRP 110 1.040 5.079 89.223 3.408 -99.200 -91.000 TRP6 110 1.020 6.934 90.667 3.354 -99.200 -91.000 HIS 114 0.900 14.530 90.812 16.894 -99.200 -91.000 HIS 116 0.900 13.204 94.647 21.992 -99.200 -91.000 TRP 117 1.040 6.154 90.447 21.958 -99.200 -91.000 TRP6 117 1.020 6.165 88.065 21.978 -99.200 -91.000