============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 17 0.840 25.435 24.637 -7.824 -99.200 -91.000 PHE 18 1.000 19.186 29.428 -11.644 -99.200 -91.000 TRP 22 1.040 30.498 16.325 -16.840 -99.200 -91.000 TRP6 22 1.020 29.818 14.061 -16.624 -99.200 -91.000 HIS 23 0.900 27.012 21.119 -11.491 -99.200 -91.000 TYR 26 0.840 27.904 14.011 -1.042 -99.200 -91.000 TRP 46 1.040 15.403 17.113 -17.776 -99.200 -91.000 TRP6 46 1.020 13.769 15.398 -17.684 -99.200 -91.000 PHE 49 1.000 19.866 6.923 -18.237 -99.200 -91.000 PHE 59 1.000 28.374 4.087 -25.427 -99.200 -91.000 TYR 60 0.840 29.997 -6.360 -29.005 -99.200 -91.000 TRP 63 1.040 26.499 -7.949 -15.589 -99.200 -91.000 TRP6 63 1.020 24.274 -7.860 -16.377 -99.200 -91.000 TYR 66 0.840 26.943 -1.273 -21.676 -99.200 -91.000 PHE 70 1.000 30.684 1.929 -21.539 -99.200 -91.000 PHE 77 1.000 27.924 10.631 -19.758 -99.200 -91.000 TRP 78 1.040 25.610 2.506 -19.138 -99.200 -91.000 TRP6 78 1.020 23.503 2.897 -20.146 -99.200 -91.000 HIS 85 0.900 18.782 -0.165 -7.780 -99.200 -91.000 PHE 102 1.000 24.939 11.729 -38.571 -99.200 -91.000 HIS 106 0.900 18.601 20.250 -31.559 -99.200 -91.000 PHE 108 1.000 10.107 16.233 -26.986 -99.200 -91.000 TYR 111 0.840 9.333 6.442 -22.990 -99.200 -91.000 PHE 114 1.000 15.022 4.854 -16.741 -99.200 -91.000 TYR 123 0.840 22.691 -3.714 -13.009 -99.200 -91.000 PHE 130 1.000 5.851 8.424 -26.683 -99.200 -91.000 HIS 142 0.900 13.100 -2.136 -26.138 -99.200 -91.000 PHE 146 1.000 15.208 -10.541 -16.062 -99.200 -91.000 PHE 147 1.000 22.104 -3.093 -19.876 -99.200 -91.000 PHE 165 1.000 19.726 -5.269 -33.761 -99.200 -91.000 TRP 169 1.040 17.796 -0.923 -25.514 -99.200 -91.000 TRP6 169 1.020 18.505 1.274 -24.972 -99.200 -91.000 TRP 170 1.040 17.167 -2.167 -19.438 -99.200 -91.000 TRP6 170 1.020 17.897 0.024 -19.935 -99.200 -91.000 TYR 171 0.840 19.675 -5.667 -27.256 -99.200 -91.000 HIS 175 0.900 11.294 -8.183 -34.008 -99.200 -91.000 TYR 183 0.840 28.035 7.993 -33.738 -99.200 -91.000 HIS 188 0.900 30.446 15.156 -43.810 -99.200 -91.000 TYR 191 0.840 22.730 3.844 -45.656 -99.200 -91.000 TRP 197 1.040 13.956 7.000 -30.452 -99.200 -91.000 TRP6 197 1.020 14.115 6.211 -28.225 -99.200 -91.000 TYR 198 0.840 18.336 9.578 -37.800 -99.200 -91.000