============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 3 1.000 56.554 60.016 -13.521 -99.200 -91.000 PHE 6 1.000 51.954 64.202 -6.578 -99.200 -91.000 TYR 16 0.840 43.169 61.291 9.005 -99.200 -91.000 PHE 19 1.000 42.372 53.609 4.047 -99.200 -91.000 PHE 30 1.000 47.091 59.007 10.335 -99.200 -91.000 PHE 32 1.000 51.230 63.876 6.868 -99.200 -91.000 TYR 77 0.840 71.038 68.175 -1.667 -99.200 -91.000 TRP 85 1.040 56.076 51.980 13.771 -99.200 -91.000 TRP6 85 1.020 54.600 52.564 15.529 -99.200 -91.000 PHE 100 1.000 58.784 44.893 0.047 -99.200 -91.000 PHE 103 1.000 54.099 33.594 -8.388 -99.200 -91.000 PHE 104 1.000 53.592 37.234 2.173 -99.200 -91.000 HIS 124 0.900 56.379 56.864 -9.553 -99.200 -91.000 TRP 129 1.040 64.109 50.444 4.027 -99.200 -91.000 TRP6 129 1.020 64.364 52.514 2.907 -99.200 -91.000 PHE 139 1.000 55.710 47.262 4.922 -99.200 -91.000 PHE 141 1.000 56.239 56.146 -0.766 -99.200 -91.000