============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TRP 2 1.040 1.380 46.404 7.493 -99.200 -91.000 TRP6 2 1.020 2.450 44.456 8.275 -99.200 -91.000 PHE 6 1.000 0.211 44.040 3.177 -99.200 -91.000 HIS 22 0.900 1.124 19.702 -1.263 -99.200 -91.000 PHE 30 1.000 -3.988 44.069 5.739 -99.200 -91.000 TRP 34 1.040 -2.924 42.780 14.077 -99.200 -91.000 TRP6 34 1.020 -4.445 41.463 12.840 -99.200 -91.000 HIS 42 0.900 -6.979 12.217 7.329 -99.200 -91.000 PHE 47 1.000 0.943 10.838 16.250 -99.200 -91.000 HIS 51 0.900 4.238 16.673 11.574 -99.200 -91.000 HIS 86 0.900 5.381 21.707 18.454 -99.200 -91.000 TRP 111 1.040 9.154 39.490 12.016 -99.200 -91.000 TRP6 111 1.020 7.217 40.816 11.769 -99.200 -91.000