============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TRP 9 1.040 -16.991 -26.744 -33.105 -99.200 -91.000 TRP6 9 1.020 -15.005 -26.381 -34.346 -99.200 -91.000 PHE 11 1.000 -8.059 -29.994 -32.213 -99.200 -91.000 TYR 17 0.840 -18.900 -29.734 -45.624 -99.200 -91.000 HIS 26 0.900 -6.819 -21.776 -38.582 -99.200 -91.000 TYR 27 0.840 -7.967 -24.574 -29.741 -99.200 -91.000 HIS 30 0.900 -0.686 -21.716 -38.108 -99.200 -91.000 HIS 31 0.900 -7.016 -18.440 -31.315 -99.200 -91.000 TYR 34 0.840 -1.687 -15.285 -35.099 -99.200 -91.000 PHE 38 1.000 -3.620 -8.694 -27.186 -99.200 -91.000 PHE 45 1.000 1.267 0.640 -23.865 -99.200 -91.000 PHE 73 1.000 0.937 -10.966 -37.192 -99.200 -91.000 HIS 74 0.900 2.111 -11.788 -32.245 -99.200 -91.000 PHE 78 1.000 -7.558 -13.446 -27.582 -99.200 -91.000 HIS 81 0.900 -6.571 -17.129 -36.144 -99.200 -91.000 PHE 84 1.000 -12.081 -19.626 -39.365 -99.200 -91.000 TRP 85 1.040 -10.983 -21.024 -33.126 -99.200 -91.000 TRP6 85 1.020 -10.211 -22.202 -35.026 -99.200 -91.000 PHE 111 1.000 -25.387 -8.182 -49.173 -99.200 -91.000 TRP 133 1.040 -8.250 -12.862 -40.866 -99.200 -91.000 TRP6 133 1.020 -9.334 -14.622 -39.715 -99.200 -91.000 PHE 135 1.000 -12.817 -9.794 -40.309 -99.200 -91.000 TYR 152 0.840 -4.579 -7.592 -48.408 -99.200 -91.000 TRP 170 1.040 -3.606 -15.077 -42.279 -99.200 -91.000 TRP6 170 1.020 -1.360 -14.893 -41.543 -99.200 -91.000 HIS 172 0.900 -2.742 -19.866 -40.752 -99.200 -91.000 TYR 174 0.840 -6.192 -21.764 -48.694 -99.200 -91.000 TYR 175 0.840 -0.712 -24.945 -50.033 -99.200 -91.000 TYR 178 0.840 -10.514 -27.443 -49.336 -99.200 -91.000 TYR 185 0.840 -10.861 -22.270 -46.477 -99.200 -91.000 PHE 186 1.000 -11.130 -18.329 -50.301 -99.200 -91.000 TRP 190 1.040 -19.414 -19.577 -47.784 -99.200 -91.000 TRP6 190 1.020 -19.691 -17.719 -46.343 -99.200 -91.000 TRP 195 1.040 -24.962 -18.497 -42.517 -99.200 -91.000 TRP6 195 1.020 -24.420 -16.280 -43.155 -99.200 -91.000 PHE 202 1.000 -28.366 -7.141 -38.422 -99.200 -91.000