============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 5 0.840 49.350 62.968 36.666 -99.200 -91.000 HIS 10 0.900 49.558 58.420 27.859 -99.200 -91.000 TYR 22 0.840 44.054 78.125 18.089 -99.200 -91.000 PHE 28 1.000 33.231 89.038 21.850 -99.200 -91.000 PHE 29 1.000 35.609 81.270 18.136 -99.200 -91.000 PHE 30 1.000 33.936 86.009 16.057 -99.200 -91.000 PHE 36 1.000 46.082 76.326 14.890 -99.200 -91.000 TRP 55 1.040 40.723 80.136 29.201 -99.200 -91.000 TRP6 55 1.020 42.132 78.354 28.521 -99.200 -91.000 PHE 58 1.000 28.795 85.270 24.155 -99.200 -91.000 PHE 72 1.000 41.990 73.523 12.032 -99.200 -91.000 HIS 73 0.900 37.179 66.912 10.553 -99.200 -91.000 TYR 107 0.840 37.931 62.919 24.660 -99.200 -91.000 PHE 110 1.000 44.618 70.022 27.216 -99.200 -91.000