============================================================================= 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. TYR 32 0.840 -14.186 33.471 7.232 -99.200 -91.000 TYR 39 0.840 -2.679 33.706 0.029 -99.200 -91.000 TYR 51 0.840 -6.086 30.099 -0.827 -99.200 -91.000 HIS 69 0.900 -18.457 33.665 -15.026 -99.200 -91.000 HIS 82 0.900 -1.436 30.098 -4.047 -99.200 -91.000 TYR 90 0.840 2.412 32.234 5.640 -99.200 -91.000 TYR 109 0.840 -13.255 20.832 0.007 -99.200 -91.000 PHE 114 1.000 -7.648 19.549 2.089 -99.200 -91.000 PHE 117 1.000 -10.623 16.252 11.568 -99.200 -91.000 PHE 121 1.000 -23.060 14.863 14.461 -99.200 -91.000 TYR 123 0.840 -20.114 25.694 11.374 -99.200 -91.000 PHE 124 1.000 -22.877 24.422 7.203 -99.200 -91.000 HIS 127 0.900 -21.358 28.956 13.186 -99.200 -91.000 TYR 128 0.840 -24.160 30.295 8.004 -99.200 -91.000