============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 6 1.000 -14.987 -5.440 5.148 -99.200 -91.000 TRP 13 1.040 -10.475 -6.454 15.865 -99.200 -91.000 TRP6 13 1.020 -12.679 -7.009 16.502 -99.200 -91.000 TYR 14 0.840 -14.625 -13.556 16.562 -99.200 -91.000 TYR 17 0.840 -6.997 -6.858 19.587 -99.200 -91.000 TRP 24 1.040 -24.881 -14.734 22.844 -99.200 -91.000 TRP6 24 1.020 -25.498 -13.536 24.790 -99.200 -91.000 TYR 31 0.840 -34.311 -22.903 22.569 -99.200 -91.000 TRP 34 1.040 -35.573 -17.649 17.412 -99.200 -91.000 TRP6 34 1.020 -36.811 -18.826 19.043 -99.200 -91.000 TYR 51 0.840 -34.234 -9.933 31.643 -99.200 -91.000 PHE 52 1.000 -28.668 -17.536 26.028 -99.200 -91.000 PHE 55 1.000 -37.090 -15.984 28.319 -99.200 -91.000 PHE 59 1.000 -39.555 -20.982 28.977 -99.200 -91.000 HIS 75 0.900 -43.203 -13.201 36.239 -99.200 -91.000 TRP 77 1.040 -39.227 -9.828 26.512 -99.200 -91.000 TRP6 77 1.020 -37.808 -11.204 25.230 -99.200 -91.000 TYR 82 0.840 -37.878 -1.497 22.447 -99.200 -91.000 TYR 83 0.840 -42.760 -6.661 27.862 -99.200 -91.000 HIS 90 0.900 -45.703 -19.065 23.898 -99.200 -91.000 HIS 100 0.900 -40.157 -26.392 10.600 -99.200 -91.000 PHE 104 1.000 -34.857 -22.231 15.500 -99.200 -91.000 PHE 108 1.000 -32.132 -17.108 4.684 -99.200 -91.000 HIS 133 0.900 -20.787 -21.960 3.150 -99.200 -91.000 PHE 134 1.000 -27.834 -19.067 4.440 -99.200 -91.000 TYR 149 0.840 -17.071 -1.516 1.065 -99.200 -91.000 TRP 154 1.040 -33.458 6.255 6.283 -99.200 -91.000 TRP6 154 1.020 -35.735 6.022 5.768 -99.200 -91.000 TRP 165 1.040 -29.882 -7.194 2.816 -99.200 -91.000 TRP6 165 1.020 -29.169 -8.871 4.309 -99.200 -91.000 PHE 180 1.000 -17.048 -10.907 7.503 -99.200 -91.000 TRP 216 1.040 -17.086 10.117 12.721 -99.200 -91.000 TRP6 216 1.020 -18.986 10.659 14.046 -99.200 -91.000 TYR 219 0.840 -20.302 8.205 4.249 -99.200 -91.000