============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -44.251 -5.459 17.960 -99.200 -91.000 TYR 16 0.840 -38.841 -10.063 4.051 -99.200 -91.000 TYR 24 0.840 -28.263 -17.179 1.344 -99.200 -91.000 PHE 29 1.000 -37.735 -13.105 7.943 -99.200 -91.000 TYR 32 0.840 -39.604 -6.775 21.819 -99.200 -91.000 PHE 46 1.000 -35.761 -21.951 20.940 -99.200 -91.000 TYR 48 0.840 -34.246 -18.947 16.103 -99.200 -91.000 TYR 58 0.840 -51.061 -9.851 14.301 -99.200 -91.000 TRP 67 1.040 -59.419 -21.167 16.069 -99.200 -91.000 TRP6 67 1.020 -59.097 -19.136 17.230 -99.200 -91.000 HIS 77 0.900 -49.776 -30.502 16.569 -99.200 -91.000 TYR 90 0.840 -62.964 -17.437 27.671 -99.200 -91.000 PHE 98 1.000 -51.601 -16.875 23.569 -99.200 -91.000 PHE 102 1.000 -43.576 -10.887 23.559 -99.200 -91.000 TYR 111 0.840 -55.750 16.310 20.850 -99.200 -91.000 TYR 131 0.840 -64.421 10.838 21.290 -99.200 -91.000 PHE 142 1.000 -62.179 -1.232 26.126 -99.200 -91.000 PHE 143 1.000 -63.091 3.176 23.406 -99.200 -91.000 TYR 151 0.840 -63.462 3.577 28.783 -99.200 -91.000 TRP 155 1.040 -70.041 1.547 20.114 -99.200 -91.000 TRP6 155 1.020 -68.598 1.385 18.253 -99.200 -91.000 PHE 157 1.000 -67.978 12.073 18.795 -99.200 -91.000 TYR 182 0.840 -59.401 11.125 14.658 -99.200 -91.000 TYR 193 0.840 -42.095 2.208 15.681 -99.200 -91.000 TYR 213 0.840 -48.425 -7.247 21.760 -99.200 -91.000 TYR 223 0.840 -39.642 -26.718 22.927 -99.200 -91.000 HIS 241 0.900 -35.366 0.027 29.927 -99.200 -91.000 TRP 247 1.040 -35.734 -3.763 17.841 -99.200 -91.000 TRP6 247 1.020 -34.988 -3.596 15.594 -99.200 -91.000 TRP 248 1.040 -41.946 0.946 20.879 -99.200 -91.000 TRP6 248 1.020 -41.751 -1.376 20.437 -99.200 -91.000