============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. PHE 3 1.000 -49.176 20.852 0.952 -99.200 -91.000 HIS 28 0.900 -50.113 5.679 10.288 -99.200 -91.000 HIS 37 0.900 -32.784 2.019 9.641 -99.200 -91.000 PHE 56 1.000 -44.757 -3.057 4.479 -99.200 -91.000 PHE 58 1.000 -39.033 -2.637 5.538 -99.200 -91.000 PHE 97 1.000 -8.964 18.686 11.571 -99.200 -91.000 TRP 105 1.040 -13.062 11.716 7.849 -99.200 -91.000 TRP6 105 1.020 -13.702 13.970 7.519 -99.200 -91.000 PHE 117 1.000 -23.090 5.450 -3.570 -99.200 -91.000 HIS 125 0.900 -32.827 1.951 -13.135 -99.200 -91.000 TYR 153 0.840 -24.013 16.195 12.235 -99.200 -91.000 PHE 163 1.000 -26.273 11.181 -2.929 -99.200 -91.000 PHE 185 1.000 -27.977 23.325 17.408 -99.200 -91.000 TYR 212 0.840 -43.477 22.146 0.281 -99.200 -91.000 TYR 220 0.840 -40.917 23.504 -11.781 -99.200 -91.000 HIS 227 0.900 -31.062 26.133 5.232 -99.200 -91.000