============================================================================= 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 -5.512 -21.463 -5.556 -99.200 -91.000 PHE 23 1.000 -0.075 -23.253 -8.014 -99.200 -91.000 TRP 31 1.040 4.537 -24.146 -12.373 -99.200 -91.000 TRP6 31 1.020 5.991 -22.575 -11.405 -99.200 -91.000 PHE 34 1.000 5.712 -21.599 -0.363 -99.200 -91.000 HIS 46 0.900 -0.852 -8.295 5.186 -99.200 -91.000 PHE 54 1.000 9.057 -16.447 -0.184 -99.200 -91.000 TYR 59 0.840 8.805 -19.555 -3.802 -99.200 -91.000 TYR 68 0.840 -12.413 -8.320 -8.161 -99.200 -91.000 TRP 69 1.040 -12.066 -8.432 -13.572 -99.200 -91.000 TRP6 69 1.020 -12.572 -6.229 -12.892 -99.200 -91.000 PHE 77 1.000 -8.085 -11.300 -23.734 -99.200 -91.000 HIS 78 0.900 -5.917 -10.497 -19.307 -99.200 -91.000 HIS 80 0.900 -4.364 -18.238 -14.594 -99.200 -91.000 PHE 85 1.000 7.948 -14.021 -6.929 -99.200 -91.000 TYR 95 0.840 10.909 -11.653 -2.748 -99.200 -91.000 TYR 104 0.840 -12.055 -7.367 -22.697 -99.200 -91.000 TYR 106 0.840 -2.564 -9.265 -15.818 -99.200 -91.000