============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 9 0.900 15.000 -37.891 -22.604 -99.200 -91.000 HIS 36 0.900 9.781 -27.269 -20.664 -99.200 -91.000 TYR 39 0.840 14.750 -26.738 -12.539 -99.200 -91.000 PHE 42 1.000 14.546 -22.756 -9.678 -99.200 -91.000 PHE 51 1.000 18.900 -20.628 -13.539 -99.200 -91.000 HIS 65 0.900 37.020 -20.196 -15.549 -99.200 -91.000 PHE 91 1.000 9.249 -21.511 0.679 -99.200 -91.000 PHE 99 1.000 29.521 -17.755 -17.091 -99.200 -91.000 TYR 105 0.840 14.448 -17.081 -13.675 -99.200 -91.000 PHE 120 1.000 14.597 -13.011 -10.593 -99.200 -91.000 PHE 135 1.000 5.962 -26.157 -22.904 -99.200 -91.000 TYR 143 0.840 4.461 -18.621 -19.543 -99.200 -91.000 PHE 186 1.000 0.464 -9.054 -16.708 -99.200 -91.000 PHE 192 1.000 -1.396 -14.379 -17.634 -99.200 -91.000 HIS 195 0.900 6.276 -12.690 -26.468 -99.200 -91.000 PHE 196 1.000 4.410 -13.832 -18.883 -99.200 -91.000 TYR 211 0.840 -4.432 -8.674 1.296 -99.200 -91.000 PHE 212 1.000 0.772 -5.886 -5.577 -99.200 -91.000 PHE 213 1.000 -0.253 -4.979 2.635 -99.200 -91.000