============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. HIS 3 0.900 44.649 -2.770 -6.975 -99.200 -91.000 TYR 4 0.840 43.691 -9.324 -9.123 -99.200 -91.000 TRP 10 1.040 61.793 -16.184 -8.409 -99.200 -91.000 TRP6 10 1.020 59.731 -17.294 -8.043 -99.200 -91.000 TYR 18 0.840 38.980 -8.388 -12.462 -99.200 -91.000 TYR 24 0.840 25.811 -7.535 -7.947 -99.200 -91.000 PHE 35 1.000 29.952 -13.243 -20.062 -99.200 -91.000 PHE 44 1.000 33.641 5.545 -24.905 -99.200 -91.000 TYR 54 0.840 31.533 5.921 -11.139 -99.200 -91.000 PHE 86 1.000 58.035 2.020 0.821 -99.200 -91.000 TYR 111 0.840 50.756 12.956 6.481 -99.200 -91.000 PHE 124 1.000 42.067 15.099 1.697 -99.200 -91.000 HIS 125 0.900 36.843 12.507 -4.684 -99.200 -91.000 TRP 128 1.040 36.577 21.826 -11.833 -99.200 -91.000 TRP6 128 1.020 35.679 20.893 -13.805 -99.200 -91.000 PHE 138 1.000 31.725 7.849 13.716 -99.200 -91.000 TYR 153 0.840 38.840 23.094 0.718 -99.200 -91.000 PHE 178 1.000 57.402 -10.321 -0.216 -99.200 -91.000 TYR 179 0.840 55.837 -6.320 7.805 -99.200 -91.000