============================================================================= 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. TRP 2 1.040 -7.575 13.574 20.604 -99.200 -91.000 TRP6 2 1.020 -6.727 13.848 22.792 -99.200 -91.000 TYR 20 0.840 -6.777 -1.173 19.530 -99.200 -91.000 TRP 33 1.040 5.349 18.942 35.604 -99.200 -91.000 TRP6 33 1.020 6.659 17.414 36.819 -99.200 -91.000 TYR 36 0.840 -2.497 12.270 45.222 -99.200 -91.000 TRP 42 1.040 3.469 12.904 42.955 -99.200 -91.000 TRP6 42 1.020 1.957 14.068 44.346 -99.200 -91.000 HIS 50 0.900 -2.299 8.808 48.212 -99.200 -91.000 HIS 58 0.900 -8.625 -1.093 42.274 -99.200 -91.000 PHE 61 1.000 2.909 3.371 41.632 -99.200 -91.000 PHE 82 1.000 8.255 2.347 20.463 -99.200 -91.000 TRP 84 1.040 -0.749 -1.585 24.817 -99.200 -91.000 TRP6 84 1.020 -3.072 -1.412 24.429 -99.200 -91.000 TYR 98 0.840 -4.756 12.871 38.116 -99.200 -91.000 TYR 105 0.840 -11.391 11.699 39.285 -99.200 -91.000 PHE 112 1.000 -0.663 13.475 34.131 -99.200 -91.000