============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 7 1.000 -10.524 1.203 1.698 -99.200 -91.000 PHE 13 1.000 -4.335 -6.558 -3.882 -99.200 -91.000 PHE 16 1.000 5.912 -2.464 -3.697 -99.200 -91.000 PHE 26 1.000 10.856 -14.737 2.042 -99.200 -91.000 PHE 36 1.000 -19.465 -1.412 -3.158 -99.200 -91.000 HIS 38 0.900 -13.792 -3.451 -2.332 -99.200 -91.000 PHE 41 1.000 -8.650 -9.716 -1.122 -99.200 -91.000 HIS 44 0.900 0.761 -13.600 -10.962 -99.200 -91.000 TRP 56 1.040 5.003 -19.590 -3.707 -99.200 -91.000 TRP6 56 1.020 4.981 -17.226 -3.699 -99.200 -91.000 HIS 61 0.900 0.465 -14.500 7.628 -99.200 -91.000 PHE 66 1.000 -6.190 -2.699 2.799 -99.200 -91.000 PHE 67 1.000 -8.707 -4.232 -1.372 -99.200 -91.000 TYR 70 0.840 -15.281 -5.567 8.906 -99.200 -91.000 HIS 76 0.900 -13.693 -3.112 6.423 -99.200 -91.000 PHE 77 1.000 -8.817 -0.158 13.495 -99.200 -91.000 PHE 82 1.000 -6.102 2.665 4.126 -99.200 -91.000 PHE 94 1.000 3.264 -21.450 10.734 -99.200 -91.000 HIS 103 0.900 5.766 -2.505 11.422 -99.200 -91.000 HIS 104 0.900 1.615 -7.157 7.653 -99.200 -91.000 TYR 106 0.840 -1.540 -3.047 4.909 -99.200 -91.000 PHE 124 1.000 8.980 -20.937 9.974 -99.200 -91.000 HIS 144 0.900 -12.331 -16.172 17.248 -99.200 -91.000 PHE 146 1.000 -11.125 -11.157 20.597 -99.200 -91.000 HIS 148 0.900 -4.604 -4.407 21.926 -99.200 -91.000 PHE 158 1.000 -7.074 -20.920 17.722 -99.200 -91.000 PHE 161 1.000 -0.885 -22.864 6.607 -99.200 -91.000 HIS 172 0.900 -1.256 -21.668 18.584 -99.200 -91.000 PHE 173 1.000 -3.219 -13.611 11.699 -99.200 -91.000 PHE 179 1.000 -6.272 6.664 12.513 -99.200 -91.000 HIS 191 0.900 -15.285 -7.163 14.061 -99.200 -91.000 PHE 192 1.000 -16.649 -14.246 16.339 -99.200 -91.000 HIS 209 0.900 2.797 -18.381 -11.214 -99.200 -91.000 TYR 217 0.840 -18.148 -14.759 5.166 -99.200 -91.000 HIS 219 0.900 -19.265 -14.454 11.413 -99.200 -91.000