============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 34 0.900 32.516 -19.801 0.160 -99.200 -91.000 TRP 35 1.040 38.448 -20.917 5.933 -99.200 -91.000 TRP6 35 1.020 39.084 -20.372 8.165 -99.200 -91.000 TYR 36 0.840 36.039 -13.883 1.298 -99.200 -91.000 TRP 47 1.040 44.598 -17.744 1.500 -99.200 -91.000 TRP6 47 1.020 45.653 -16.141 0.125 -99.200 -91.000 TYR 49 0.840 36.934 -22.877 -4.809 -99.200 -91.000 PHE 62 1.000 47.914 -20.157 2.991 -99.200 -91.000 TYR 71 0.840 32.805 -25.747 8.095 -99.200 -91.000 TYR 86 0.840 45.152 -16.177 6.599 -99.200 -91.000 TYR 87 0.840 38.405 -10.759 8.737 -99.200 -91.000 HIS 89 0.900 30.838 -14.941 3.569 -99.200 -91.000 TYR 91 0.840 26.431 -16.139 -0.896 -99.200 -91.000 HIS 92 0.900 23.729 -23.595 4.469 -99.200 -91.000 TYR 96 0.840 23.860 -14.567 2.439 -99.200 -91.000 PHE 98 1.000 32.237 -11.718 5.543 -99.200 -91.000 PHE 118 1.000 61.749 12.524 21.044 -99.200 -91.000 PHE 135 1.000 58.141 9.155 18.687 -99.200 -91.000 PHE 139 1.000 56.959 -2.726 21.498 -99.200 -91.000 TYR 140 0.840 57.710 -10.930 18.538 -99.200 -91.000 TRP 148 1.040 52.626 9.171 29.259 -99.200 -91.000 TRP6 148 1.020 54.477 10.518 28.653 -99.200 -91.000 TRP 163 1.040 50.103 -0.250 20.754 -99.200 -91.000 TRP6 163 1.020 48.158 0.869 21.514 -99.200 -91.000 TYR 173 0.840 54.109 -6.562 16.871 -99.200 -91.000 TYR 186 0.840 55.911 21.048 30.078 -99.200 -91.000 HIS 189 0.900 52.546 18.945 38.070 -99.200 -91.000 TYR 192 0.840 56.008 17.148 32.727 -99.200 -91.000 HIS 198 0.900 58.747 -5.970 25.386 -99.200 -91.000 PHE 209 1.000 60.490 16.413 29.622 -99.200 -91.000