============================================================================= 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 5 0.900 26.121 31.345 -26.891 -99.200 -91.000 PHE 18 1.000 41.983 19.666 -17.241 -99.200 -91.000 TYR 24 0.840 53.455 19.786 -14.245 -99.200 -91.000 PHE 39 1.000 48.698 20.570 7.750 -99.200 -91.000 TYR 58 0.840 44.824 16.579 8.905 -99.200 -91.000 TYR 59 0.840 39.114 22.503 6.530 -99.200 -91.000 TRP 64 1.040 49.545 22.849 -7.696 -99.200 -91.000 TRP6 64 1.020 48.063 21.660 -6.298 -99.200 -91.000 TRP 71 1.040 41.391 30.429 -18.635 -99.200 -91.000 TRP6 71 1.020 41.523 29.086 -16.705 -99.200 -91.000 TYR 76 0.840 39.670 29.231 -23.574 -99.200 -91.000 PHE 82 1.000 39.047 24.535 -14.955 -99.200 -91.000 TRP 90 1.040 51.831 16.599 -10.344 -99.200 -91.000 TRP6 90 1.020 52.282 18.251 -8.703 -99.200 -91.000 TYR 97 0.840 58.076 12.281 5.292 -99.200 -91.000 HIS 115 0.900 42.930 34.874 -14.678 -99.200 -91.000 PHE 121 1.000 42.875 18.070 -3.497 -99.200 -91.000 PHE 129 1.000 49.763 12.575 15.247 -99.200 -91.000 PHE 148 1.000 50.573 16.423 7.907 -99.200 -91.000 TRP 151 1.040 57.548 8.246 0.302 -99.200 -91.000 TRP6 151 1.020 57.664 8.072 2.658 -99.200 -91.000 TYR 153 0.840 58.146 15.149 -7.386 -99.200 -91.000 PHE 156 1.000 68.746 20.750 -4.191 -99.200 -91.000 TYR 172 0.840 39.961 21.083 18.728 -99.200 -91.000 TYR 173 0.840 32.618 18.575 18.691 -99.200 -91.000 TYR 178 0.840 41.673 13.819 23.761 -99.200 -91.000 HIS 191 0.900 70.158 16.966 4.397 -99.200 -91.000 TYR 192 0.840 63.628 11.731 4.398 -99.200 -91.000 TYR 199 0.840 63.630 14.355 -0.346 -99.200 -91.000 PHE 208 1.000 46.960 15.968 22.501 -99.200 -91.000