============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. PHE 29 1.000 -20.692 -22.626 -47.338 -99.200 -91.000 TYR 32 0.840 -8.905 -22.731 -48.049 -99.200 -91.000 TRP 36 1.040 -8.698 -16.232 -59.170 -99.200 -91.000 TRP6 36 1.020 -8.609 -18.040 -60.665 -99.200 -91.000 TRP 47 1.040 -2.937 -10.982 -54.846 -99.200 -91.000 TRP6 47 1.020 -4.130 -9.028 -54.315 -99.200 -91.000 PHE 55 1.000 -15.349 -11.241 -41.936 -99.200 -91.000 TYR 60 0.840 -11.478 -7.109 -57.162 -99.200 -91.000 PHE 64 1.000 -4.020 -7.145 -62.886 -99.200 -91.000 PHE 75 1.000 -24.846 -23.070 -50.344 -99.200 -91.000 TYR 80 0.840 -17.324 -19.617 -60.868 -99.200 -91.000 TYR 93 0.840 -4.565 -14.938 -66.311 -99.200 -91.000 TYR 94 0.840 0.610 -20.400 -61.752 -99.200 -91.000 HIS 98 0.900 -3.935 -15.503 -49.688 -99.200 -91.000 TYR 101 0.840 -9.667 -13.646 -41.041 -99.200 -91.000 TRP 110 1.040 1.068 -21.012 -54.946 -99.200 -91.000 TRP6 110 1.020 1.313 -19.007 -56.151 -99.200 -91.000 PHE 129 1.000 1.475 -25.867 -98.756 -99.200 -91.000 TYR 146 0.840 -0.159 -24.214 -86.133 -99.200 -91.000 PHE 147 1.000 -4.964 -17.546 -82.612 -99.200 -91.000 TRP 155 1.040 5.498 -37.799 -89.166 -99.200 -91.000 TRP6 155 1.020 6.021 -37.430 -91.438 -99.200 -91.000 HIS 165 0.900 13.601 -32.555 -83.752 -99.200 -91.000 PHE 167 1.000 13.095 -29.318 -85.812 -99.200 -91.000 TYR 177 0.840 0.936 -19.852 -82.301 -99.200 -91.000 TYR 195 0.840 8.512 -42.897 -94.818 -99.200 -91.000 HIS 201 0.900 -5.758 -25.816 -85.369 -99.200 -91.000