============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. TYR 1 0.840 33.977-211.718 31.363 -99.200 -91.000 PHE 3 1.000 33.066-211.658 25.432 -99.200 -91.000 PHE 8 1.000 21.181-214.214 16.687 -99.200 -91.000 TYR 19 0.840 20.625-221.949 28.148 -99.200 -91.000 TYR 71 0.840 8.449-211.178 40.554 -99.200 -91.000 TYR 78 0.840 8.611-207.148 40.003 -99.200 -91.000 HIS 90 0.900 8.209-189.867 37.454 -99.200 -91.000 TYR 93 0.840 4.630-189.926 27.963 -99.200 -91.000 TYR 97 0.840 5.628-185.915 25.449 -99.200 -91.000 TYR 100 0.840 2.202-189.918 36.442 -99.200 -91.000 PHE 126 1.000 17.003-206.935 33.320 -99.200 -91.000 HIS 135 0.900 -7.830-195.777 31.701 -99.200 -91.000 PHE 138 1.000 -6.355-189.377 23.409 -99.200 -91.000 PHE 141 1.000 -9.851-200.007 32.325 -99.200 -91.000 TYR 144 0.840 0.354-203.906 26.133 -99.200 -91.000 TYR 152 0.840 6.111-204.492 23.324 -99.200 -91.000 PHE 153 1.000 4.173-211.898 24.238 -99.200 -91.000 TRP 155 1.040 -0.734-212.058 26.806 -99.200 -91.000 TRP6 155 1.020 -0.901-214.105 25.644 -99.200 -91.000 PHE 170 1.000 -11.057-222.009 35.969 -99.200 -91.000 TRP 175 1.040 -11.342-212.448 29.025 -99.200 -91.000 TRP6 175 1.020 -11.983-211.992 26.796 -99.200 -91.000 HIS 186 0.900 -15.927-215.820 41.845 -99.200 -91.000 PHE 200 1.000 -6.398-219.071 46.779 -99.200 -91.000 TYR 219 0.840 -3.599-183.369 45.006 -99.200 -91.000 PHE 230 1.000 -0.918-200.601 41.601 -99.200 -91.000