============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 15.126 31.317 7.928 -99.200 -91.000 PHE 14 1.000 11.124 27.881 -0.091 -99.200 -91.000 PHE 19 1.000 13.415 43.016 -1.030 -99.200 -91.000 PHE 40 1.000 17.146 34.879 -6.136 -99.200 -91.000 PHE 89 1.000 5.491 37.812 6.230 -99.200 -91.000 TYR 102 0.840 24.580 42.779 10.650 -99.200 -91.000 TRP 111 1.040 5.729 28.592 5.238 -99.200 -91.000 TRP6 111 1.020 7.788 29.342 6.148 -99.200 -91.000