============================================================================= 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. TYR 16 0.840 2.579 -15.570 -36.327 -99.200 -91.000 TYR 36 0.840 16.386 -37.276 -27.274 -99.200 -91.000 TRP 39 1.040 12.300 -26.963 -31.204 -99.200 -91.000 TRP6 39 1.020 12.325 -25.590 -29.287 -99.200 -91.000 TYR 49 0.840 27.771 -35.678 -14.857 -99.200 -91.000 HIS 55 0.900 38.520 -30.709 -5.609 -99.200 -91.000 HIS 58 0.900 42.240 -21.616 -9.960 -99.200 -91.000 TYR 71 0.840 25.564 -25.749 -28.717 -99.200 -91.000 PHE 76 1.000 26.849 -38.303 -34.243 -99.200 -91.000 PHE 110 1.000 22.652 -26.788 -4.014 -99.200 -91.000 PHE 118 1.000 29.331 -31.555 -18.819 -99.200 -91.000 TYR 174 0.840 18.331 -21.066 -48.384 -99.200 -91.000 TYR 198 0.840 20.122 -4.006 -41.518 -99.200 -91.000 PHE 204 1.000 15.466 -7.230 -30.645 -99.200 -91.000 TYR 219 0.840 7.199 -22.501 -17.560 -99.200 -91.000 TYR 230 0.840 8.553 -34.153 -10.147 -99.200 -91.000