============================================================================= 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. PHE 4 1.000 37.627 2.706 16.912 -99.200 -91.000 TYR 18 0.840 43.565 20.024 15.325 -99.200 -91.000 TYR 24 0.840 33.838 25.771 11.455 -99.200 -91.000 TYR 25 0.840 39.420 28.309 18.048 -99.200 -91.000 HIS 31 0.900 35.431 16.111 20.542 -99.200 -91.000 PHE 67 1.000 39.515 8.012 16.452 -99.200 -91.000 TYR 88 0.840 26.706 1.387 8.857 -99.200 -91.000 PHE 104 1.000 35.652 11.412 13.588 -99.200 -91.000 PHE 114 1.000 28.002 13.896 -0.202 -99.200 -91.000 TRP 126 1.040 30.513 -1.567 -5.805 -99.200 -91.000 TRP6 126 1.020 29.385 -0.875 -3.840 -99.200 -91.000 TRP 138 1.040 34.064 14.759 1.627 -99.200 -91.000 TRP6 138 1.020 33.833 12.744 0.404 -99.200 -91.000 TYR 139 0.840 37.278 15.038 -5.806 -99.200 -91.000 PHE 153 1.000 31.457 5.087 0.613 -99.200 -91.000 TRP 158 1.040 40.432 -1.960 5.021 -99.200 -91.000 TRP6 158 1.020 39.394 -0.004 5.850 -99.200 -91.000 TYR 161 0.840 42.086 5.364 4.224 -99.200 -91.000