============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 38 1.000 -11.887 -0.535 -11.724 -99.200 -91.000 TRP 42 1.040 -12.405 -14.022 -13.965 -99.200 -91.000 TRP6 42 1.020 -14.552 -13.144 -13.551 -99.200 -91.000 PHE 45 1.000 -13.045 -23.975 -2.850 -99.200 -91.000 TRP 52 1.040 -9.033 -8.468 -5.352 -99.200 -91.000 TRP6 52 1.020 -9.952 -7.013 -3.712 -99.200 -91.000 HIS 55 0.900 -7.636 2.663 -11.887 -99.200 -91.000 PHE 64 1.000 -17.603 1.477 -3.909 -99.200 -91.000 HIS 67 0.900 -26.198 -10.520 -2.634 -99.200 -91.000 TRP 79 1.040 -42.497 -12.501 -8.463 -99.200 -91.000 TRP6 79 1.020 -40.832 -10.893 -7.988 -99.200 -91.000 PHE 84 1.000 -35.253 -14.013 -12.483 -99.200 -91.000 TYR 94 0.840 -42.716 -3.032 -9.371 -99.200 -91.000 TYR 115 0.840 -12.200 9.028 -7.229 -99.200 -91.000 HIS 122 0.900 -7.404 5.710 -8.090 -99.200 -91.000 HIS 144 0.900 -11.783 -19.441 -2.635 -99.200 -91.000 TYR 158 0.840 -10.470 3.579 5.115 -99.200 -91.000 TYR 187 0.840 -15.479 -34.275 17.410 -99.200 -91.000 HIS 192 0.900 -16.192 -46.453 42.551 -99.200 -91.000 HIS 199 0.900 -20.497 -35.871 37.795 -99.200 -91.000 PHE 204 1.000 -17.168 -27.609 28.351 -99.200 -91.000 TYR 211 0.840 -17.641 -17.113 30.995 -99.200 -91.000 TRP 213 1.040 -20.081 -16.650 26.375 -99.200 -91.000 TRP6 213 1.020 -17.989 -17.752 26.304 -99.200 -91.000 PHE 219 1.000 -22.645 1.951 19.716 -99.200 -91.000 PHE 220 1.000 -22.260 -5.139 17.813 -99.200 -91.000 HIS 231 0.900 -23.839 -39.116 17.903 -99.200 -91.000 TYR 245 0.840 -20.023 -32.965 17.320 -99.200 -91.000 PHE 248 1.000 -18.548 -24.603 22.046 -99.200 -91.000 TYR 252 0.840 -17.018 -13.347 18.199 -99.200 -91.000 HIS 272 0.900 -15.786 -27.926 35.157 -99.200 -91.000 TYR 276 0.840 -9.991 -29.916 25.086 -99.200 -91.000 TRP 280 1.040 -11.819 -23.531 18.957 -99.200 -91.000 TRP6 280 1.020 -13.771 -22.789 20.045 -99.200 -91.000 PHE 287 1.000 -18.992 -4.728 10.384 -99.200 -91.000 PHE 323 1.000 -18.812 -14.675 5.805 -99.200 -91.000 PHE 334 1.000 -26.927 4.673 1.815 -99.200 -91.000 HIS 342 0.900 -33.886 -11.787 1.339 -99.200 -91.000 TYR 360 0.840 -23.218 3.041 -3.000 -99.200 -91.000 HIS 361 0.900 -18.033 10.613 -7.971 -99.200 -91.000