============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 12 0.840 -50.724 38.990 29.740 -99.200 -91.000 PHE 16 1.000 -49.553 33.567 24.755 -99.200 -91.000 TYR 17 0.840 -51.743 28.992 25.534 -99.200 -91.000 PHE 26 1.000 -47.388 24.663 32.352 -99.200 -91.000 HIS 32 0.900 -44.090 19.480 39.785 -99.200 -91.000 PHE 34 1.000 -45.946 25.509 48.915 -99.200 -91.000 PHE 37 1.000 -37.662 26.563 46.555 -99.200 -91.000 PHE 42 1.000 -34.498 26.429 51.888 -99.200 -91.000 PHE 46 1.000 -46.641 30.632 46.187 -99.200 -91.000 PHE 53 1.000 -52.083 33.101 41.521 -99.200 -91.000 TRP 55 1.040 -54.466 28.636 39.054 -99.200 -91.000 TRP6 55 1.020 -52.334 28.432 40.061 -99.200 -91.000 HIS 58 0.900 -53.322 25.724 25.937 -99.200 -91.000 PHE 64 1.000 -49.034 20.354 29.911 -99.200 -91.000 PHE 73 1.000 -55.350 24.115 40.671 -99.200 -91.000 PHE 80 1.000 -49.650 25.586 44.984 -99.200 -91.000 TYR 98 0.840 -38.176 36.640 51.040 -99.200 -91.000 PHE 101 1.000 -36.758 36.985 42.567 -99.200 -91.000 HIS 107 0.900 -45.830 30.430 26.263 -99.200 -91.000 PHE 111 1.000 -48.160 38.987 27.057 -99.200 -91.000 TYR 113 0.840 -41.680 36.803 35.964 -99.200 -91.000 TYR 127 0.840 -26.154 36.620 41.678 -99.200 -91.000 HIS 137 0.900 -41.960 30.887 28.035 -99.200 -91.000 PHE 142 1.000 -32.502 35.191 34.823 -99.200 -91.000 PHE 163 1.000 -41.108 26.967 26.065 -99.200 -91.000 TYR 192 0.840 -30.440 42.600 28.848 -99.200 -91.000 TYR 196 0.840 -31.073 28.729 25.482 -99.200 -91.000 TRP 203 1.040 -41.752 19.295 24.034 -99.200 -91.000 TRP6 203 1.020 -42.328 21.592 24.039 -99.200 -91.000 TYR 206 0.840 -29.883 20.854 29.634 -99.200 -91.000 HIS 223 0.900 -37.905 17.549 42.216 -99.200 -91.000