============================================================================= 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 7.146 5.291 -9.460 -99.200 -91.000 TYR 4 0.840 7.533 11.861 -11.817 -99.200 -91.000 TRP 10 1.040 -9.306 19.178 -4.887 -99.200 -91.000 TRP6 10 1.020 -7.325 20.268 -5.585 -99.200 -91.000 TYR 18 0.840 10.706 10.863 -16.607 -99.200 -91.000 TYR 24 0.840 24.542 9.409 -17.070 -99.200 -91.000 PHE 35 1.000 16.529 15.449 -26.869 -99.200 -91.000 PHE 44 1.000 10.588 -3.075 -30.011 -99.200 -91.000 TYR 54 0.840 17.503 -3.611 -17.929 -99.200 -91.000 PHE 86 1.000 -2.674 1.072 2.602 -99.200 -91.000 TYR 111 0.840 5.710 -10.246 5.353 -99.200 -91.000 PHE 124 1.000 12.130 -12.667 -2.258 -99.200 -91.000 HIS 125 0.900 14.801 -10.096 -10.102 -99.200 -91.000 TRP 128 1.040 12.091 -19.306 -16.874 -99.200 -91.000 TRP6 128 1.020 12.167 -18.437 -19.069 -99.200 -91.000 PHE 138 1.000 26.216 -5.812 5.009 -99.200 -91.000 TYR 153 0.840 14.648 -20.806 -4.391 -99.200 -91.000 PHE 178 1.000 -2.191 13.188 1.250 -99.200 -91.000 TYR 179 0.840 2.274 8.865 7.949 -99.200 -91.000