============================================================================= 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 2 0.840 28.468 34.948 33.951 -99.200 -91.000 PHE 6 1.000 31.481 26.299 26.982 -99.200 -91.000 TYR 19 0.840 19.595 18.138 11.744 -99.200 -91.000 TYR 29 0.840 10.247 7.392 9.187 -99.200 -91.000 PHE 33 1.000 16.235 17.733 6.694 -99.200 -91.000 PHE 42 1.000 22.356 22.209 13.976 -99.200 -91.000 PHE 58 1.000 7.105 12.368 16.561 -99.200 -91.000 HIS 60 0.900 12.199 2.222 13.015 -99.200 -91.000 PHE 61 1.000 13.142 10.982 11.837 -99.200 -91.000 TYR 65 0.840 20.098 12.411 14.173 -99.200 -91.000 HIS 71 0.900 27.290 10.315 7.880 -99.200 -91.000 TYR 72 0.840 29.796 10.236 16.147 -99.200 -91.000 TYR 78 0.840 30.708 26.434 14.667 -99.200 -91.000 PHE 85 1.000 36.190 24.526 25.872 -99.200 -91.000 TYR 111 0.840 36.491 16.880 19.158 -99.200 -91.000 PHE 113 1.000 36.178 20.368 23.757 -99.200 -91.000 PHE 149 1.000 22.739 25.996 28.226 -99.200 -91.000 PHE 167 1.000 21.683 31.153 25.512 -99.200 -91.000 TRP 172 1.040 30.549 29.946 17.323 -99.200 -91.000 TRP6 172 1.020 30.901 30.950 19.413 -99.200 -91.000 HIS 179 0.900 15.679 38.075 15.108 -99.200 -91.000 HIS 184 0.900 27.804 38.682 29.388 -99.200 -91.000 PHE 186 1.000 30.055 35.285 25.093 -99.200 -91.000 PHE 196 1.000 35.600 33.941 32.482 -99.200 -91.000