============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 6 0.900 46.345 -4.276 25.826 -99.200 -91.000 PHE 19 1.000 28.831 7.292 21.574 -99.200 -91.000 TYR 24 0.840 17.002 8.998 24.953 -99.200 -91.000 PHE 39 1.000 21.403 29.708 32.837 -99.200 -91.000 TYR 58 0.840 24.276 32.388 29.090 -99.200 -91.000 TYR 59 0.840 32.100 29.748 31.677 -99.200 -91.000 TRP 64 1.040 21.090 14.262 29.264 -99.200 -91.000 TRP6 64 1.020 22.368 16.106 28.530 -99.200 -91.000 TRP 71 1.040 30.877 2.273 31.155 -99.200 -91.000 TRP6 71 1.020 30.458 4.556 30.717 -99.200 -91.000 TYR 76 0.840 32.506 -1.658 27.912 -99.200 -91.000 PHE 82 1.000 31.933 7.833 26.829 -99.200 -91.000 TRP 90 1.040 17.879 13.770 22.965 -99.200 -91.000 TRP6 90 1.020 17.655 14.774 25.086 -99.200 -91.000 TYR 97 0.840 11.051 29.087 26.916 -99.200 -91.000 HIS 115 0.900 29.987 4.201 36.962 -99.200 -91.000 PHE 121 1.000 26.818 20.618 25.360 -99.200 -91.000 PHE 129 1.000 18.602 39.275 28.668 -99.200 -91.000 PHE 148 1.000 18.443 30.855 29.632 -99.200 -91.000 TRP 151 1.040 10.743 26.230 20.006 -99.200 -91.000 TRP6 151 1.020 10.485 28.403 20.865 -99.200 -91.000 TYR 153 0.840 11.321 16.472 23.636 -99.200 -91.000 PHE 156 1.000 1.871 15.698 31.719 -99.200 -91.000 TYR 172 0.840 29.783 40.275 36.154 -99.200 -91.000 TYR 173 0.840 36.410 41.935 32.611 -99.200 -91.000 TYR 178 0.840 26.513 47.668 31.611 -99.200 -91.000 HIS 191 0.900 -1.236 23.677 33.706 -99.200 -91.000 TYR 192 0.840 1.901 28.826 28.436 -99.200 -91.000 TYR 199 0.840 3.684 23.379 27.680 -99.200 -91.000 PHE 208 1.000 21.809 45.144 33.916 -99.200 -91.000