============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 10 0.840 44.485 26.760 50.510 -99.200 -91.000 PHE 17 1.000 42.861 21.363 52.397 -99.200 -91.000 TYR 23 0.840 24.935 15.575 52.275 -99.200 -91.000 TYR 25 0.840 20.364 27.795 45.583 -99.200 -91.000 PHE 27 1.000 22.163 23.770 55.555 -99.200 -91.000 PHE 31 1.000 27.925 24.449 54.152 -99.200 -91.000 HIS 52 0.900 17.862 4.107 52.816 -99.200 -91.000 TYR 65 0.840 17.435 15.353 43.627 -99.200 -91.000 HIS 66 0.900 20.771 14.741 47.407 -99.200 -91.000 PHE 85 1.000 27.186 -2.260 48.177 -99.200 -91.000 TYR 88 0.840 34.034 2.222 44.299 -99.200 -91.000 PHE 95 1.000 37.258 3.219 32.720 -99.200 -91.000 TRP 116 1.040 39.765 -2.865 46.268 -99.200 -91.000 TRP6 116 1.020 38.033 -2.413 44.721 -99.200 -91.000 HIS 134 0.900 36.468 7.510 52.676 -99.200 -91.000 PHE 145 1.000 35.950 -1.686 57.604 -99.200 -91.000 TYR 148 0.840 28.983 2.795 60.583 -99.200 -91.000 HIS 214 0.900 22.547 17.386 57.287 -99.200 -91.000 PHE 217 1.000 28.200 24.095 59.713 -99.200 -91.000 HIS 223 0.900 25.074 12.069 74.050 -99.200 -91.000 PHE 227 1.000 33.816 11.349 63.268 -99.200 -91.000 PHE 231 1.000 33.312 23.595 64.457 -99.200 -91.000 TYR 245 0.840 34.841 22.724 59.460 -99.200 -91.000 TYR 254 0.840 36.909 19.772 64.388 -99.200 -91.000 HIS 259 0.900 36.644 17.604 68.817 -99.200 -91.000 PHE 261 1.000 38.223 7.910 67.034 -99.200 -91.000 HIS 262 0.900 46.075 9.574 70.457 -99.200 -91.000