============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 9 0.840 7.580 5.395 2.981 -99.200 -91.000 HIS 11 0.900 3.113 13.649 8.396 -99.200 -91.000 TYR 23 0.840 1.651 5.434 -7.676 -99.200 -91.000 PHE 33 1.000 0.351 5.978 -3.551 -99.200 -91.000 TYR 39 0.840 -3.694 -1.969 6.500 -99.200 -91.000 PHE 57 1.000 -12.090 7.099 3.123 -99.200 -91.000 TYR 60 0.840 -16.609 4.537 2.116 -99.200 -91.000 PHE 62 1.000 -25.638 6.130 8.668 -99.200 -91.000 TYR 70 0.840 -24.430 -8.839 -1.255 -99.200 -91.000 TYR 77 0.840 -5.004 8.854 9.742 -99.200 -91.000 PHE 82 1.000 -2.206 9.469 5.212 -99.200 -91.000 TYR 87 0.840 -6.873 -5.118 -2.212 -99.200 -91.000 TYR 95 0.840 -21.343 -7.167 -23.032 -99.200 -91.000 TYR 98 0.840 -23.822 -11.043 -17.307 -99.200 -91.000 HIS 99 0.900 -23.295 -10.579 -22.243 -99.200 -91.000 TYR 111 0.840 -30.598 -12.994 -3.739 -99.200 -91.000 PHE 116 1.000 -24.606 -2.562 -1.966 -99.200 -91.000 HIS 121 0.900 -31.642 1.852 -3.490 -99.200 -91.000 PHE 132 1.000 -26.898 9.889 6.421 -99.200 -91.000 PHE 143 1.000 -32.857 17.419 -14.304 -99.200 -91.000 HIS 167 0.900 -32.073 22.934 -28.499 -99.200 -91.000 TYR 172 0.840 -31.857 22.950 -18.432 -99.200 -91.000 PHE 182 1.000 -38.756 16.913 -11.877 -99.200 -91.000 TYR 184 0.840 -36.796 11.926 -6.114 -99.200 -91.000 HIS 190 0.900 -21.916 3.157 -5.461 -99.200 -91.000 PHE 193 1.000 -24.988 -1.503 -7.473 -99.200 -91.000 PHE 200 1.000 -18.871 -8.402 -9.653 -99.200 -91.000 PHE 206 1.000 -15.854 -10.872 -0.277 -99.200 -91.000 PHE 211 1.000 -20.958 2.742 -0.967 -99.200 -91.000 PHE 214 1.000 -22.620 10.121 0.418 -99.200 -91.000 PHE 223 1.000 -32.801 -0.086 -9.678 -99.200 -91.000 PHE 234 1.000 -22.033 -7.676 -15.454 -99.200 -91.000 PHE 238 1.000 -26.525 -8.120 -13.579 -99.200 -91.000 TYR 245 0.840 -33.976 -12.113 -10.401 -99.200 -91.000 TYR 246 0.840 -34.841 -2.246 -5.741 -99.200 -91.000 HIS 248 0.900 -38.264 0.130 -9.619 -99.200 -91.000 TYR 264 0.840 -29.090 16.749 -17.933 -99.200 -91.000 TRP 265 1.040 -22.631 11.501 -22.898 -99.200 -91.000 TRP6 265 1.020 -21.338 12.149 -21.033 -99.200 -91.000 TYR 272 0.840 -19.621 15.811 -16.200 -99.200 -91.000 TYR 274 0.840 -15.143 20.770 -14.261 -99.200 -91.000 PHE 294 1.000 -33.251 17.217 -23.397 -99.200 -91.000 PHE 296 1.000 -42.075 8.950 -17.848 -99.200 -91.000