============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 12 1.000 29.621 58.085 -0.501 -99.200 -91.000 PHE 26 1.000 40.166 77.864 14.933 -99.200 -91.000 TYR 31 0.840 42.820 79.272 19.227 -99.200 -91.000 TYR 38 0.840 25.074 58.600 15.807 -99.200 -91.000 TYR 44 0.840 40.003 52.301 8.603 -99.200 -91.000 PHE 48 1.000 42.936 59.682 12.926 -99.200 -91.000 PHE 77 1.000 23.159 59.690 11.870 -99.200 -91.000 PHE 78 1.000 26.397 63.772 17.930 -99.200 -91.000 PHE 84 1.000 27.876 70.227 22.884 -99.200 -91.000 PHE 104 1.000 15.798 57.055 2.679 -99.200 -91.000 PHE 109 1.000 20.143 62.164 8.460 -99.200 -91.000 PHE 133 1.000 31.078 58.193 -13.347 -99.200 -91.000 TYR 138 0.840 20.301 66.796 -4.786 -99.200 -91.000 TYR 157 0.840 23.225 55.550 2.769 -99.200 -91.000 HIS 158 0.900 26.109 54.255 -6.059 -99.200 -91.000 TYR 165 0.840 16.943 61.562 -4.801 -99.200 -91.000 PHE 166 1.000 13.860 63.535 -8.226 -99.200 -91.000