============================================================================= 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 38.242 2.979 17.178 -99.200 -91.000 TYR 18 0.840 43.738 20.250 15.462 -99.200 -91.000 TYR 24 0.840 34.086 25.666 11.454 -99.200 -91.000 TYR 25 0.840 39.580 28.411 18.046 -99.200 -91.000 HIS 31 0.900 35.597 16.129 20.542 -99.200 -91.000 PHE 67 1.000 39.946 7.993 16.818 -99.200 -91.000 TYR 88 0.840 27.402 0.587 9.162 -99.200 -91.000 PHE 104 1.000 35.906 11.290 13.666 -99.200 -91.000 PHE 114 1.000 28.336 13.979 -0.193 -99.200 -91.000 TRP 126 1.040 31.368 -1.746 -6.023 -99.200 -91.000 TRP6 126 1.020 30.176 -1.202 -4.044 -99.200 -91.000 TRP 138 1.040 34.596 14.859 1.546 -99.200 -91.000 TRP6 138 1.020 34.377 12.797 0.384 -99.200 -91.000 TYR 139 0.840 37.916 15.031 -5.841 -99.200 -91.000 PHE 153 1.000 32.118 5.206 0.433 -99.200 -91.000 TRP 158 1.040 41.320 -1.940 5.057 -99.200 -91.000 TRP6 158 1.020 40.218 -0.075 5.995 -99.200 -91.000 TYR 161 0.840 42.704 5.320 4.348 -99.200 -91.000