============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 -5.345 -21.286 -5.509 -99.200 -91.000 PHE 23 1.000 0.083 -23.233 -7.961 -99.200 -91.000 TRP 31 1.040 4.736 -24.251 -12.192 -99.200 -91.000 TRP6 31 1.020 6.132 -22.607 -11.253 -99.200 -91.000 PHE 34 1.000 5.835 -21.392 -0.348 -99.200 -91.000 HIS 46 0.900 -0.617 -8.139 5.035 -99.200 -91.000 PHE 54 1.000 9.293 -16.345 -0.216 -99.200 -91.000 TYR 59 0.840 8.958 -19.437 -3.835 -99.200 -91.000 TYR 68 0.840 -12.457 -8.404 -8.139 -99.200 -91.000 TRP 69 1.040 -12.093 -8.575 -13.563 -99.200 -91.000 TRP6 69 1.020 -12.648 -6.393 -12.896 -99.200 -91.000 PHE 77 1.000 -7.998 -11.306 -23.651 -99.200 -91.000 HIS 78 0.900 -5.896 -10.514 -19.167 -99.200 -91.000 HIS 80 0.900 -4.237 -18.049 -14.680 -99.200 -91.000 PHE 85 1.000 8.167 -13.935 -6.927 -99.200 -91.000 TYR 95 0.840 11.020 -11.461 -2.876 -99.200 -91.000 TYR 104 0.840 -12.081 -7.261 -22.595 -99.200 -91.000 TYR 106 0.840 -2.454 -9.366 -15.809 -99.200 -91.000