============================================================================= 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. PHE 7 1.000 34.025 23.373 -21.069 -99.200 -91.000 TYR 8 0.840 31.086 25.685 -31.116 -99.200 -91.000 TYR 28 0.840 44.825 22.662 -29.381 -99.200 -91.000 HIS 34 0.900 36.266 25.190 -29.736 -99.200 -91.000 TYR 44 0.840 54.033 8.363 -19.619 -99.200 -91.000 TYR 56 0.840 51.811 12.988 -25.493 -99.200 -91.000 HIS 89 0.900 39.307 16.515 -17.908 -99.200 -91.000 PHE 94 1.000 32.902 9.941 -3.866 -99.200 -91.000 TYR 157 0.840 26.060 7.711 -16.098 -99.200 -91.000 PHE 158 1.000 34.022 3.588 -17.946 -99.200 -91.000 HIS 164 0.900 22.200 0.099 -19.275 -99.200 -91.000 PHE 168 1.000 23.732 10.782 -20.743 -99.200 -91.000 HIS 178 0.900 20.484 18.747 -7.497 -99.200 -91.000 PHE 180 1.000 29.868 18.644 -9.990 -99.200 -91.000 TRP 181 1.040 30.341 22.747 -15.342 -99.200 -91.000 TRP6 181 1.020 32.514 23.645 -15.194 -99.200 -91.000 TYR 193 0.840 29.249 14.069 -29.983 -99.200 -91.000 HIS 211 0.900 36.155 11.793 -20.818 -99.200 -91.000 TYR 213 0.840 38.322 7.724 -23.342 -99.200 -91.000