============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 2 1.000 -15.923 5.099 17.445 -99.200 -91.000 TYR 4 0.840 -18.717 2.271 23.409 -99.200 -91.000 HIS 7 0.900 -21.259 -2.952 32.331 -99.200 -91.000 TYR 33 0.840 -21.149 -7.235 17.729 -99.200 -91.000 HIS 36 0.900 -17.962 -6.548 25.295 -99.200 -91.000 TYR 80 0.840 -30.541 -13.328 0.822 -99.200 -91.000 HIS 89 0.900 -40.716 -19.568 12.529 -99.200 -91.000 PHE 91 1.000 -32.724 -15.183 18.896 -99.200 -91.000 HIS 99 0.900 -25.999 -6.285 5.905 -99.200 -91.000 PHE 118 1.000 -18.111 -4.220 -12.145 -99.200 -91.000 HIS 121 0.900 -26.202 -11.733 -6.633 -99.200 -91.000 PHE 128 1.000 -32.642 -4.181 -1.864 -99.200 -91.000 PHE 147 1.000 -25.778 -1.200 5.171 -99.200 -91.000 TRP 160 1.040 -8.061 -0.969 -4.065 -99.200 -91.000 TRP6 160 1.020 -8.085 -2.666 -2.415 -99.200 -91.000 TYR 163 0.840 -13.332 -4.497 -1.107 -99.200 -91.000 PHE 168 1.000 -16.695 5.563 -4.194 -99.200 -91.000 TYR 204 0.840 -3.760 -3.784 0.892 -99.200 -91.000 TYR 221 0.840 -16.339 -3.879 13.431 -99.200 -91.000 TYR 223 0.840 -20.701 4.962 19.426 -99.200 -91.000