============================================================================= 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. PHE 21 1.000 4.617 49.655 17.888 -99.200 -91.000 TRP 22 1.040 10.044 45.944 13.446 -99.200 -91.000 TRP6 22 1.020 12.171 46.479 12.586 -99.200 -91.000 TRP 25 1.040 12.111 48.621 25.955 -99.200 -91.000 TRP6 25 1.020 10.347 47.573 24.817 -99.200 -91.000 HIS 41 0.900 37.508 50.398 60.333 -99.200 -91.000 HIS 48 0.900 43.554 46.957 74.033 -99.200 -91.000 TYR 51 0.840 32.964 42.402 61.625 -99.200 -91.000 HIS 52 0.900 37.221 46.365 56.473 -99.200 -91.000 TRP 66 1.040 3.150 51.130 26.985 -99.200 -91.000 TRP6 66 1.020 0.945 51.923 26.632 -99.200 -91.000 TYR 81 0.840 11.675 56.702 41.421 -99.200 -91.000 TYR 85 0.840 9.669 61.907 40.630 -99.200 -91.000