============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 1 1.040 3.166 -27.051 14.596 -99.200 -91.000 TRP6 1 1.020 3.329 -26.244 12.382 -99.200 -91.000 PHE 9 1.000 1.094 -44.899 1.227 -99.200 -91.000 PHE 12 1.000 4.003 -42.369 3.897 -99.200 -91.000 PHE 13 1.000 1.788 -42.419 -3.430 -99.200 -91.000 TRP 33 1.040 15.591 -36.930 10.569 -99.200 -91.000 TRP6 33 1.020 15.106 -35.602 8.671 -99.200 -91.000 TYR 41 0.840 8.105 -34.617 15.008 -99.200 -91.000 PHE 57 1.000 20.583 -25.148 8.984 -99.200 -91.000 PHE 75 1.000 7.884 -46.046 6.696 -99.200 -91.000 PHE 89 1.000 16.768 -28.238 10.697 -99.200 -91.000 PHE 94 1.000 20.892 -19.205 19.509 -99.200 -91.000