============================================================================= 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. TYR 4 0.840 -32.013 29.492 -2.878 -99.200 -91.000 TYR 11 0.840 -34.591 25.287 -9.231 -99.200 -91.000 TYR 24 0.840 -29.607 14.237 6.544 -99.200 -91.000 HIS 27 0.900 -25.408 11.887 4.536 -99.200 -91.000 TYR 38 0.840 -25.919 13.248 -8.591 -99.200 -91.000 HIS 40 0.900 -21.501 13.322 -6.064 -99.200 -91.000 PHE 42 1.000 -19.842 21.428 -3.877 -99.200 -91.000 TRP 45 1.040 -12.991 22.692 -5.993 -99.200 -91.000 TRP6 45 1.020 -12.377 24.314 -7.624 -99.200 -91.000 PHE 48 1.000 -19.483 27.241 -5.168 -99.200 -91.000 PHE 50 1.000 -21.424 26.051 0.026 -99.200 -91.000 TYR 56 0.840 -19.930 22.282 2.916 -99.200 -91.000 TYR 57 0.840 -22.510 14.217 2.356 -99.200 -91.000 TRP 59 1.040 -31.235 15.660 -3.851 -99.200 -91.000 TRP6 59 1.020 -31.246 13.325 -4.251 -99.200 -91.000 TYR 68 0.840 -31.298 12.490 -9.619 -99.200 -91.000 PHE 80 1.000 -27.818 16.752 1.553 -99.200 -91.000 HIS 92 0.900 -22.260 20.880 -13.191 -99.200 -91.000 PHE 100 1.000 -21.514 21.819 -9.310 -99.200 -91.000