============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 5 0.840 59.966 -1.450 18.547 -99.200 -91.000 TYR 14 0.840 55.282 11.033 21.111 -99.200 -91.000 TYR 22 0.840 50.422 2.924 41.848 -99.200 -91.000 HIS 23 0.900 53.230 3.769 33.908 -99.200 -91.000 PHE 24 1.000 47.953 6.941 37.670 -99.200 -91.000 TRP 34 1.040 47.151 22.967 28.987 -99.200 -91.000 TRP6 34 1.020 45.196 22.471 30.191 -99.200 -91.000 HIS 40 0.900 40.876 3.657 31.234 -99.200 -91.000 TYR 42 0.840 40.137 12.498 38.472 -99.200 -91.000 PHE 64 1.000 60.539 12.198 38.767 -99.200 -91.000 HIS 73 0.900 34.076 15.024 26.501 -99.200 -91.000 TYR 76 0.840 35.102 8.224 31.563 -99.200 -91.000 TRP 121 1.040 57.815 2.929 30.958 -99.200 -91.000 TRP6 121 1.020 57.183 5.139 30.394 -99.200 -91.000 TYR 131 0.840 52.382 -4.426 35.355 -99.200 -91.000 TYR 152 0.840 36.634 -5.392 20.945 -99.200 -91.000 PHE 161 1.000 42.297 4.803 16.433 -99.200 -91.000 TYR 165 0.840 50.031 -6.228 14.315 -99.200 -91.000 TRP 193 1.040 37.276 0.117 25.025 -99.200 -91.000 TRP6 193 1.020 36.136 -1.764 24.232 -99.200 -91.000 TYR 206 0.840 44.540 1.581 20.489 -99.200 -91.000 TYR 212 0.840 36.887 13.057 21.844 -99.200 -91.000 TRP 215 1.040 36.144 19.150 25.346 -99.200 -91.000 TRP6 215 1.020 37.788 17.931 26.514 -99.200 -91.000