============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 3 1.040 -29.142 -0.985 17.770 -99.200 -91.000 TRP6 3 1.020 -27.693 -1.136 15.895 -99.200 -91.000 PHE 15 1.000 -29.733 -8.475 7.837 -99.200 -91.000 HIS 17 0.900 -37.315 -5.316 0.744 -99.200 -91.000 TYR 20 0.840 -30.834 -14.274 4.628 -99.200 -91.000 TYR 35 0.840 -10.118 -8.933 2.579 -99.200 -91.000 TRP 37 1.040 -6.317 -13.402 5.866 -99.200 -91.000 TRP6 37 1.020 -5.561 -11.746 4.374 -99.200 -91.000 HIS 41 0.900 -10.523 -20.708 9.940 -99.200 -91.000 PHE 42 1.000 -14.194 -21.684 4.683 -99.200 -91.000 PHE 45 1.000 -15.851 -26.332 3.586 -99.200 -91.000 TYR 49 0.840 -4.084 -24.136 -2.943 -99.200 -91.000 HIS 63 0.900 -19.186 -22.260 6.750 -99.200 -91.000 HIS 69 0.900 -30.784 -17.599 6.462 -99.200 -91.000 TYR 85 0.840 -24.743 -12.882 16.679 -99.200 -91.000 HIS 92 0.900 -17.830 -18.914 14.577 -99.200 -91.000 HIS 97 0.900 -8.753 -24.108 17.582 -99.200 -91.000 PHE 103 1.000 -15.501 -14.083 13.684 -99.200 -91.000 HIS 120 0.900 -27.161 5.175 -8.265 -99.200 -91.000 PHE 122 1.000 -24.902 -0.646 0.881 -99.200 -91.000 PHE 130 1.000 -25.370 -4.820 5.698 -99.200 -91.000 PHE 133 1.000 -27.104 -6.599 12.302 -99.200 -91.000 TYR 145 0.840 -12.200 -15.642 19.012 -99.200 -91.000 HIS 146 0.900 -11.216 -17.551 27.536 -99.200 -91.000