============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 9 1.000 -23.955 -25.756 -44.068 -99.200 -91.000 TYR 30 0.840 -50.510 -28.475 -22.403 -99.200 -91.000 TYR 36 0.840 -46.743 -32.315 -26.032 -99.200 -91.000 TYR 38 0.840 -43.050 -34.283 -31.609 -99.200 -91.000 TRP 39 1.040 -34.280 -33.691 -31.437 -99.200 -91.000 TRP6 39 1.020 -32.960 -31.907 -32.275 -99.200 -91.000 TYR 40 0.840 -39.938 -35.783 -37.829 -99.200 -91.000 TYR 53 0.840 -42.280 -41.259 -29.725 -99.200 -91.000 PHE 66 1.000 -29.074 -41.074 -33.932 -99.200 -91.000 PHE 75 1.000 -36.243 -27.646 -26.860 -99.200 -91.000 TYR 90 0.840 -28.915 -36.091 -37.671 -99.200 -91.000 TYR 91 0.840 -35.023 -30.954 -41.933 -99.200 -91.000 TRP 100 1.040 -47.233 -31.236 -36.228 -99.200 -91.000 TRP6 100 1.020 -45.431 -32.618 -35.544 -99.200 -91.000 PHE 102 1.000 -41.284 -30.425 -39.814 -99.200 -91.000 PHE 122 1.000 -15.567 -39.227 -67.667 -99.200 -91.000 PHE 139 1.000 -16.888 -38.380 -60.765 -99.200 -91.000 PHE 143 1.000 -13.764 -33.843 -53.772 -99.200 -91.000 TYR 144 0.840 -13.118 -34.517 -44.933 -99.200 -91.000 TRP 152 1.040 -12.891 -26.797 -66.564 -99.200 -91.000 TRP6 152 1.020 -12.786 -28.778 -67.846 -99.200 -91.000 TRP 167 1.040 -18.513 -30.299 -54.188 -99.200 -91.000 TRP6 167 1.020 -18.223 -28.267 -55.366 -99.200 -91.000 TYR 177 0.840 -18.081 -33.655 -48.784 -99.200 -91.000 TYR 190 0.840 -14.352 -30.785 -78.317 -99.200 -91.000 HIS 193 0.900 -10.396 -22.688 -78.321 -99.200 -91.000 TYR 196 0.840 -10.786 -28.636 -75.286 -99.200 -91.000 PHE 207 1.000 -10.116 -33.739 -73.874 -99.200 -91.000