============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 3 1.040 18.241 -22.741 17.862 -99.200 -91.000 TRP6 3 1.020 17.208 -21.425 16.190 -99.200 -91.000 PHE 6 1.000 12.066 -29.326 9.532 -99.200 -91.000 PHE 15 1.000 22.791 -20.320 5.973 -99.200 -91.000 TYR 20 0.840 28.189 -19.588 2.222 -99.200 -91.000 TYR 35 0.840 13.499 -4.100 1.043 -99.200 -91.000 TRP 37 1.040 15.890 1.733 2.925 -99.200 -91.000 TRP6 37 1.020 13.848 1.448 1.766 -99.200 -91.000 TYR 41 0.840 24.115 2.073 5.724 -99.200 -91.000 PHE 42 1.000 26.906 -1.420 0.869 -99.200 -91.000 PHE 45 1.000 31.348 -1.400 -1.046 -99.200 -91.000 TYR 49 0.840 22.891 4.234 -14.328 -99.200 -91.000 HIS 63 0.900 29.792 -5.921 2.590 -99.200 -91.000 TYR 85 0.840 26.372 -13.213 13.878 -99.200 -91.000 HIS 92 0.900 27.613 -4.848 10.602 -99.200 -91.000 HIS 97 0.900 28.846 5.695 12.746 -99.200 -91.000 PHE 103 1.000 22.352 -5.162 10.822 -99.200 -91.000 PHE 118 1.000 18.339 -24.628 -1.246 -99.200 -91.000 PHE 122 1.000 12.607 -21.211 1.698 -99.200 -91.000 PHE 130 1.000 17.037 -18.713 5.252 -99.200 -91.000 PHE 133 1.000 20.738 -19.224 11.119 -99.200 -91.000 TYR 145 0.840 23.166 -0.908 15.647 -99.200 -91.000