============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 29 0.840 10.332 11.890 -3.846 -99.200 -91.000 TYR 46 0.840 9.220 16.311 4.627 -99.200 -91.000 HIS 52 0.900 13.493 23.571 10.456 -99.200 -91.000 TYR 60 0.840 18.253 2.722 19.278 -99.200 -91.000 HIS 61 0.900 21.191 0.611 21.082 -99.200 -91.000 TYR 63 0.840 19.848 1.571 10.868 -99.200 -91.000 HIS 77 0.900 15.700 -4.075 13.394 -99.200 -91.000 PHE 103 1.000 7.389 14.219 25.197 -99.200 -91.000 HIS 104 0.900 12.135 9.171 21.057 -99.200 -91.000 PHE 111 1.000 5.375 3.463 1.170 -99.200 -91.000 TYR 132 0.840 -6.307 -0.022 10.028 -99.200 -91.000 PHE 154 1.000 -7.299 -10.684 11.003 -99.200 -91.000 PHE 160 1.000 -0.719 -14.650 5.201 -99.200 -91.000 TYR 166 0.840 13.578 -8.160 15.747 -99.200 -91.000 HIS 169 0.900 8.557 0.958 20.629 -99.200 -91.000 PHE 175 1.000 13.432 4.495 18.502 -99.200 -91.000 HIS 176 0.900 12.766 1.018 20.982 -99.200 -91.000 HIS 183 0.900 3.605 -6.924 17.683 -99.200 -91.000 TYR 184 0.840 4.659 -13.913 21.491 -99.200 -91.000 PHE 199 1.000 -0.031 0.700 24.036 -99.200 -91.000 TRP 219 1.040 23.217 -2.660 11.707 -99.200 -91.000 TRP6 219 1.020 22.376 -1.949 13.802 -99.200 -91.000 TYR 232 0.840 0.511 -1.924 6.702 -99.200 -91.000 HIS 234 0.900 -1.001 4.086 12.417 -99.200 -91.000 HIS 260 0.900 -13.733 0.727 22.264 -99.200 -91.000