============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 5 1.000 11.153 -30.085 4.135 -99.200 -91.000 PHE 29 1.000 10.551 -26.979 12.078 -99.200 -91.000 PHE 55 1.000 18.656 6.193 6.982 -99.200 -91.000 PHE 74 1.000 21.814 1.501 0.021 -99.200 -91.000 PHE 89 1.000 34.982 2.891 -8.830 -99.200 -91.000 PHE 91 1.000 32.938 -3.973 -3.983 -99.200 -91.000 PHE 98 1.000 25.084 -7.771 10.031 -99.200 -91.000 PHE 155 1.000 40.603 -12.923 -3.944 -99.200 -91.000 PHE 162 1.000 29.141 -15.594 2.062 -99.200 -91.000 TRP 175 1.040 37.055 -31.522 9.000 -99.200 -91.000 TRP6 175 1.020 36.514 -33.766 8.528 -99.200 -91.000 TYR 182 0.840 47.117 -42.617 0.770 -99.200 -91.000 PHE 200 1.000 21.602 -27.710 -1.732 -99.200 -91.000 TYR 232 0.840 30.676 -12.275 11.259 -99.200 -91.000