============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 -22.788 2.774 17.078 -99.200 -91.000 TYR 18 0.840 -17.088 19.912 15.190 -99.200 -91.000 TYR 24 0.840 -26.652 25.428 10.985 -99.200 -91.000 TYR 25 0.840 -21.242 28.207 17.632 -99.200 -91.000 HIS 31 0.900 -25.228 16.130 20.421 -99.200 -91.000 PHE 67 1.000 -21.030 7.934 16.415 -99.200 -91.000 TYR 88 0.840 -33.751 1.268 8.638 -99.200 -91.000 PHE 104 1.000 -24.947 11.334 13.324 -99.200 -91.000 PHE 114 1.000 -32.054 13.669 -0.731 -99.200 -91.000 TRP 126 1.040 -29.677 -2.057 -5.728 -99.200 -91.000 TRP6 126 1.020 -30.887 -1.298 -3.835 -99.200 -91.000 TRP 138 1.040 -26.076 14.466 1.381 -99.200 -91.000 TRP6 138 1.020 -26.337 12.368 0.326 -99.200 -91.000 TYR 139 0.840 -22.393 14.123 -5.696 -99.200 -91.000 PHE 153 1.000 -28.748 5.115 0.608 -99.200 -91.000 TRP 158 1.040 -19.853 -2.218 5.218 -99.200 -91.000 TRP6 158 1.020 -20.853 -0.238 6.025 -99.200 -91.000 TYR 161 0.840 -18.231 5.063 4.362 -99.200 -91.000