============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 22.236 -21.626 -27.047 -99.200 -91.000 TYR 7 0.840 10.270 -13.047 -32.949 -99.200 -91.000 PHE 8 1.000 9.304 -12.629 -24.433 -99.200 -91.000 TYR 9 0.840 3.895 -10.784 -31.648 -99.200 -91.000 PHE 22 1.000 2.101 -5.908 -32.264 -99.200 -91.000 TYR 27 0.840 14.364 -10.493 -24.874 -99.200 -91.000 PHE 33 1.000 16.144 -11.821 -32.656 -99.200 -91.000 PHE 36 1.000 6.037 -2.515 -35.842 -99.200 -91.000 TRP 51 1.040 23.648 -11.370 -32.280 -99.200 -91.000 TRP6 51 1.020 21.492 -12.197 -32.795 -99.200 -91.000 TYR 59 0.840 15.494 -10.701 -40.338 -99.200 -91.000 TRP 60 1.040 16.826 -5.533 -41.458 -99.200 -91.000 TRP6 60 1.020 16.563 -5.914 -39.132 -99.200 -91.000 PHE 67 1.000 7.392 -7.958 -35.742 -99.200 -91.000 TYR 74 0.840 -2.040 -9.445 -31.271 -99.200 -91.000 TYR 84 0.840 -14.598 -12.760 -27.752 -99.200 -91.000 TYR 85 0.840 -12.949 -11.836 -20.647 -99.200 -91.000 HIS 93 0.900 -9.978 -3.809 -20.480 -99.200 -91.000 TYR 99 0.840 5.583 -15.902 -31.879 -99.200 -91.000 HIS 113 0.900 7.482 -23.174 -24.539 -99.200 -91.000 TYR 118 0.840 -8.805 -8.848 -22.059 -99.200 -91.000 TYR 123 0.840 -8.715 -14.993 -24.387 -99.200 -91.000 TRP 133 1.040 -5.819 -23.948 -30.384 -99.200 -91.000 TRP6 133 1.020 -4.063 -22.365 -30.479 -99.200 -91.000 TRP 147 1.040 -6.904 -17.816 -32.839 -99.200 -91.000 TRP6 147 1.020 -5.180 -17.636 -31.229 -99.200 -91.000 TYR 159 0.840 7.456 -19.397 -36.453 -99.200 -91.000 TRP 167 1.040 14.641 -17.801 -40.648 -99.200 -91.000 TRP6 167 1.020 15.887 -16.046 -41.618 -99.200 -91.000 TYR 171 0.840 17.746 -15.021 -35.908 -99.200 -91.000 HIS 188 0.900 32.055 -9.049 -3.827 -99.200 -91.000 HIS 191 0.900 31.062 -9.599 9.405 -99.200 -91.000 HIS 192 0.900 28.336 -3.696 5.422 -99.200 -91.000 HIS 197 0.900 22.422 -9.897 19.631 -99.200 -91.000 TRP 204 1.040 27.646 -8.392 -2.962 -99.200 -91.000 TRP6 204 1.020 26.278 -6.852 -4.127 -99.200 -91.000 PHE 208 1.000 24.723 -13.746 -12.927 -99.200 -91.000 TYR 209 0.840 24.120 -14.120 -22.251 -99.200 -91.000 TRP 217 1.040 24.435 -16.892 2.121 -99.200 -91.000 TRP6 217 1.020 26.721 -16.903 2.753 -99.200 -91.000 PHE 241 1.000 20.844 -10.935 -17.508 -99.200 -91.000 TRP 244 1.040 22.207 -8.247 -3.248 -99.200 -91.000 TRP6 244 1.020 20.728 -8.582 -1.414 -99.200 -91.000 TYR 257 0.840 25.604 -19.183 8.857 -99.200 -91.000 HIS 260 0.900 27.786 -24.551 -0.999 -99.200 -91.000 HIS 263 0.900 26.509 -18.397 -15.286 -99.200 -91.000 TRP 274 1.040 33.925 -11.884 6.155 -99.200 -91.000 TRP6 274 1.020 34.270 -11.696 8.489 -99.200 -91.000