============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. HIS 7 0.900 22.826 29.097 15.179 -99.200 -91.000 PHE 24 1.000 32.316 31.881 20.180 -99.200 -91.000 TYR 28 0.840 34.135 37.468 18.439 -99.200 -91.000 HIS 32 0.900 36.022 40.520 20.012 -99.200 -91.000 PHE 54 1.000 25.763 22.015 -6.556 -99.200 -91.000 PHE 59 1.000 31.798 18.783 -9.449 -99.200 -91.000 HIS 60 0.900 29.835 23.972 -18.715 -99.200 -91.000 PHE 85 1.000 36.246 32.729 -1.023 -99.200 -91.000 TYR 97 0.840 18.804 15.428 14.623 -99.200 -91.000 PHE 99 1.000 24.887 5.908 16.064 -99.200 -91.000 TRP 108 1.040 26.169 25.849 4.750 -99.200 -91.000 TRP6 108 1.020 28.267 25.688 5.760 -99.200 -91.000 PHE 119 1.000 36.842 20.866 -5.081 -99.200 -91.000 PHE 121 1.000 40.465 18.643 -11.234 -99.200 -91.000 TYR 128 0.840 40.499 16.122 -5.711 -99.200 -91.000 HIS 146 0.900 27.281 7.083 27.911 -99.200 -91.000 PHE 148 1.000 28.020 8.669 20.436 -99.200 -91.000 HIS 159 0.900 31.249 7.351 11.138 -99.200 -91.000 TRP 163 1.040 31.478 14.313 6.813 -99.200 -91.000 TRP6 163 1.020 29.850 15.957 7.026 -99.200 -91.000 PHE 170 1.000 38.488 18.234 -0.987 -99.200 -91.000 PHE 185 1.000 22.419 17.637 27.811 -99.200 -91.000