============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 16 rings ring int. center anis. iso. TYR 29 0.840 17.337 54.047 8.712 -99.200 -91.000 TYR 31 0.840 23.214 54.928 8.527 -99.200 -91.000 TYR 33 0.840 13.756 52.838 6.919 -99.200 -91.000 TYR 35 0.840 11.636 44.888 -1.198 -99.200 -91.000 TRP 37 1.040 2.650 53.268 -0.807 -99.200 -91.000 TRP6 37 1.020 1.727 54.837 0.672 -99.200 -91.000 PHE 38 1.000 2.638 45.931 3.674 -99.200 -91.000 TYR 60 0.840 3.051 47.162 -8.920 -99.200 -91.000 PHE 68 1.000 -3.992 50.768 -6.798 -99.200 -91.000 TYR 80 0.840 6.225 60.506 -3.999 -99.200 -91.000 TYR 93 0.840 -4.931 52.159 -0.132 -99.200 -91.000 TYR 94 0.840 -2.492 51.217 8.043 -99.200 -91.000 TYR 100 0.840 12.384 39.329 1.131 -99.200 -91.000 TYR 107 0.840 7.843 46.108 4.576 -99.200 -91.000 TRP 110 1.040 4.215 48.754 10.044 -99.200 -91.000 TRP6 110 1.020 2.986 47.936 8.203 -99.200 -91.000