============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. PHE 28 1.000 -4.084 -9.229 -9.464 -99.200 -91.000 HIS 31 0.900 -2.934 -6.915 4.802 -99.200 -91.000 PHE 39 1.000 -14.906 -7.933 6.775 -99.200 -91.000 PHE 44 1.000 -9.929 -10.879 6.510 -99.200 -91.000 HIS 50 0.900 -9.340 -9.677 -14.673 -99.200 -91.000 PHE 53 1.000 -9.307 -8.805 -7.957 -99.200 -91.000 TRP 55 1.040 -18.493 -14.841 -8.319 -99.200 -91.000 TRP6 55 1.020 -18.074 -14.208 -6.071 -99.200 -91.000 HIS 57 0.900 -18.329 -4.955 -12.537 -99.200 -91.000 TYR 66 0.840 -26.063 -4.463 -3.666 -99.200 -91.000 PHE 80 1.000 1.786 -8.852 -17.158 -99.200 -91.000 PHE 102 1.000 20.347 -9.781 -24.674 -99.200 -91.000 TYR 113 0.840 6.104 -8.950 -17.240 -99.200 -91.000 PHE 117 1.000 2.995 -8.431 -11.603 -99.200 -91.000 HIS 124 0.900 -6.881 -6.727 -11.324 -99.200 -91.000 PHE 127 1.000 -14.085 -4.350 -8.294 -99.200 -91.000 HIS 134 0.900 -21.947 2.125 -1.946 -99.200 -91.000 PHE 143 1.000 -15.674 -5.766 -0.485 -99.200 -91.000 HIS 144 0.900 -18.335 -8.601 4.839 -99.200 -91.000 PHE 146 1.000 -12.276 -10.626 -4.454 -99.200 -91.000 TYR 149 0.840 -14.030 -20.435 0.521 -99.200 -91.000