============================================================================= 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 11 1.000 22.917 -7.833 49.799 -99.200 -91.000 PHE 24 1.000 32.817 -0.780 58.902 -99.200 -91.000 PHE 40 1.000 22.539 -13.003 60.198 -99.200 -91.000 PHE 48 1.000 13.796 -10.141 70.840 -99.200 -91.000 PHE 60 1.000 24.754 -1.516 54.872 -99.200 -91.000 PHE 64 1.000 13.567 -10.327 48.658 -99.200 -91.000 HIS 67 0.900 8.348 -9.285 53.167 -99.200 -91.000 TYR 68 0.840 11.884 -1.521 51.074 -99.200 -91.000 HIS 94 0.900 13.772 -0.495 36.427 -99.200 -91.000 HIS 97 0.900 6.413 -1.679 42.425 -99.200 -91.000 TYR 104 0.840 7.191 1.600 49.252 -99.200 -91.000 PHE 109 1.000 10.791 3.627 57.642 -99.200 -91.000 PHE 118 1.000 27.613 -1.916 49.717 -99.200 -91.000 TRP 124 1.040 30.896 -16.818 46.665 -99.200 -91.000 TRP6 124 1.020 31.181 -17.799 48.801 -99.200 -91.000 PHE 159 1.000 32.283 -4.713 47.961 -99.200 -91.000 TRP 171 1.040 12.781 3.526 37.714 -99.200 -91.000 TRP6 171 1.020 13.094 3.525 35.382 -99.200 -91.000