============================================================================= 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 -106.582 -48.665 -20.878 -99.200 -91.000 TYR 25 0.840 -96.118 -61.269 -5.881 -99.200 -91.000 PHE 26 1.000 -93.915 -56.930 3.404 -99.200 -91.000 HIS 28 0.900 -99.676 -65.073 -1.085 -99.200 -91.000 PHE 32 1.000 -94.833 -68.551 0.717 -99.200 -91.000 TRP 35 1.040 -96.625 -71.390 7.623 -99.200 -91.000 TRP6 35 1.020 -97.841 -71.166 5.606 -99.200 -91.000 TYR 45 0.840 -88.551 -57.807 1.304 -99.200 -91.000 HIS 46 0.900 -85.114 -59.860 -2.597 -99.200 -91.000 HIS 54 0.900 -93.414 -53.666 -12.046 -99.200 -91.000 TYR 58 0.840 -98.153 -48.709 -13.833 -99.200 -91.000 PHE 64 1.000 -94.322 -35.467 -18.069 -99.200 -91.000 TYR 107 0.840 -106.445 -45.354 -25.480 -99.200 -91.000 HIS 112 0.900 -99.878 -41.091 -32.871 -99.200 -91.000 TYR 114 0.840 -95.947 -43.577 -30.479 -99.200 -91.000 HIS 130 0.900 -92.982 -59.927 -11.003 -99.200 -91.000 TRP 133 1.040 -89.609 -67.989 -8.920 -99.200 -91.000 TRP6 133 1.020 -91.092 -67.815 -7.099 -99.200 -91.000 TYR 149 0.840 -91.906 -75.934 -3.756 -99.200 -91.000