============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. TRP 12 1.040 12.983 -5.950 -2.106 -99.200 -91.000 TRP6 12 1.020 13.509 -5.748 -4.397 -99.200 -91.000 PHE 20 1.000 24.499 -3.843 10.232 -99.200 -91.000 TYR 23 0.840 23.684 2.556 10.683 -99.200 -91.000 PHE 31 1.000 34.027 -6.762 20.432 -99.200 -91.000 PHE 53 1.000 7.433 3.069 1.188 -99.200 -91.000 PHE 61 1.000 21.444 -10.121 17.621 -99.200 -91.000 TYR 64 0.840 14.540 -0.529 13.433 -99.200 -91.000 PHE 68 1.000 8.883 4.525 5.621 -99.200 -91.000 PHE 74 1.000 8.652 7.434 11.320 -99.200 -91.000 TYR 77 0.840 12.270 3.096 22.192 -99.200 -91.000 HIS 85 0.900 11.665 7.969 21.947 -99.200 -91.000 TRP 92 1.040 8.807 8.727 -2.905 -99.200 -91.000 TRP6 92 1.020 10.040 6.756 -3.324 -99.200 -91.000 TRP 110 1.040 16.405 4.754 6.645 -99.200 -91.000 TRP6 110 1.020 14.729 4.702 4.975 -99.200 -91.000 TRP 113 1.040 19.442 3.441 -5.321 -99.200 -91.000 TRP6 113 1.020 20.876 3.696 -3.455 -99.200 -91.000 TYR 120 0.840 21.658 -1.201 -5.787 -99.200 -91.000 PHE 134 1.000 18.726 -5.671 1.760 -99.200 -91.000