============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 14 1.000 -21.909 28.288 97.942 -99.200 -91.000 PHE 18 1.000 -14.718 25.986 100.113 -99.200 -91.000 PHE 38 1.000 -34.350 38.259 91.588 -99.200 -91.000 TYR 48 0.840 -22.663 32.763 101.469 -99.200 -91.000 PHE 72 1.000 -14.914 29.150 104.034 -99.200 -91.000 TYR 74 0.840 -14.170 22.805 103.805 -99.200 -91.000 HIS 82 0.900 -22.629 30.157 106.183 -99.200 -91.000 PHE 84 1.000 -27.314 32.752 100.082 -99.200 -91.000 PHE 90 1.000 -47.843 36.134 91.081 -99.200 -91.000 TRP 100 1.040 -39.017 44.325 97.492 -99.200 -91.000 TRP6 100 1.020 -39.819 42.131 97.415 -99.200 -91.000 PHE 117 1.000 -19.715 26.369 103.044 -99.200 -91.000