============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. TRP 5 1.040 9.954 32.322 4.954 -99.200 -91.000 TRP6 5 1.020 11.973 32.277 6.194 -99.200 -91.000 HIS 11 0.900 24.334 42.751 -6.229 -99.200 -91.000 HIS 22 0.900 8.839 34.092 9.755 -99.200 -91.000 TYR 27 0.840 15.724 32.616 11.003 -99.200 -91.000 TYR 43 0.840 22.301 23.654 -2.781 -99.200 -91.000 PHE 44 1.000 18.719 31.045 0.705 -99.200 -91.000 TRP 52 1.040 13.263 28.315 8.942 -99.200 -91.000 TRP6 52 1.020 13.029 28.257 11.287 -99.200 -91.000 HIS 58 0.900 5.116 38.178 -0.871 -99.200 -91.000 PHE 65 1.000 15.411 36.433 -6.714 -99.200 -91.000 TRP 76 1.040 9.765 17.594 -4.740 -99.200 -91.000 TRP6 76 1.020 10.715 17.694 -2.599 -99.200 -91.000 HIS 107 0.900 38.637 33.400 2.828 -99.200 -91.000 PHE 117 1.000 25.913 33.218 16.798 -99.200 -91.000 HIS 119 0.900 18.692 40.521 11.927 -99.200 -91.000 HIS 121 0.900 21.277 32.895 17.589 -99.200 -91.000 TYR 130 0.840 9.885 37.047 23.440 -99.200 -91.000