============================================================================= 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. TYR 10 0.840 -64.517 -94.370 38.341 -99.200 -91.000 TYR 25 0.840 -63.611 -72.229 39.841 -99.200 -91.000 PHE 26 1.000 -71.261 -66.748 35.225 -99.200 -91.000 HIS 28 0.900 -66.866 -68.707 45.062 -99.200 -91.000 PHE 32 1.000 -63.992 -63.275 44.070 -99.200 -91.000 TRP 35 1.040 -68.354 -57.879 47.360 -99.200 -91.000 TRP6 35 1.020 -67.643 -60.019 48.065 -99.200 -91.000 TYR 45 0.840 -66.666 -65.111 32.038 -99.200 -91.000 HIS 46 0.900 -61.171 -65.110 31.051 -99.200 -91.000 HIS 54 0.900 -61.707 -79.032 32.558 -99.200 -91.000 TYR 58 0.840 -65.276 -85.162 32.416 -99.200 -91.000 PHE 64 1.000 -66.995 -92.863 20.350 -99.200 -91.000 TYR 107 0.840 -62.831 -99.219 35.911 -99.200 -91.000 HIS 112 0.900 -56.460-103.264 28.249 -99.200 -91.000 TYR 114 0.840 -54.958 -98.378 27.212 -99.200 -91.000 HIS 130 0.900 -59.094 -74.941 36.669 -99.200 -91.000 TRP 133 1.040 -54.852 -67.736 39.969 -99.200 -91.000 TRP6 133 1.020 -56.961 -67.285 40.903 -99.200 -91.000 TYR 149 0.840 -55.683 -61.268 47.205 -99.200 -91.000