============================================================================= 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 1 1.000 181.391 23.475 -75.751 -99.200 -91.000 PHE 4 1.000 182.392 31.848 -81.055 -99.200 -91.000 TYR 27 0.840 156.955 23.144 -72.896 -99.200 -91.000 TYR 43 0.840 142.127 31.502 -63.771 -99.200 -91.000 TYR 47 0.840 134.057 31.054 -61.292 -99.200 -91.000 TYR 49 0.840 139.383 25.642 -52.523 -99.200 -91.000 HIS 50 0.900 136.206 34.708 -55.400 -99.200 -91.000 PHE 53 1.000 133.989 35.536 -49.891 -99.200 -91.000 TYR 55 0.840 126.380 27.788 -48.004 -99.200 -91.000 PHE 56 1.000 130.758 27.412 -45.602 -99.200 -91.000 PHE 69 1.000 140.764 26.832 -45.817 -99.200 -91.000 PHE 70 1.000 136.007 26.714 -47.820 -99.200 -91.000 HIS 80 0.900 148.479 26.803 -55.643 -99.200 -91.000 TYR 87 0.840 157.640 25.242 -66.573 -99.200 -91.000 PHE 107 1.000 129.622 25.003 -51.918 -99.200 -91.000 HIS 109 0.900 125.433 16.317 -46.240 -99.200 -91.000 HIS 117 0.900 128.644 18.744 -48.651 -99.200 -91.000 HIS 137 0.900 156.689 13.800 -62.099 -99.200 -91.000 PHE 151 1.000 156.675 24.952 -62.854 -99.200 -91.000 TYR 156 0.840 152.210 24.127 -59.446 -99.200 -91.000 TYR 170 0.840 141.822 23.709 -41.594 -99.200 -91.000 HIS 181 0.900 129.841 26.143 -27.500 -99.200 -91.000 TRP 184 1.040 130.229 30.761 -33.213 -99.200 -91.000 TRP6 184 1.020 131.360 31.275 -31.204 -99.200 -91.000 HIS 185 0.900 135.914 26.745 -29.096 -99.200 -91.000 PHE 186 1.000 137.604 23.891 -37.738 -99.200 -91.000 HIS 192 0.900 139.929 35.175 -33.938 -99.200 -91.000