============================================================================= 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. PHE 4 1.000 -35.191 22.133 4.134 -99.200 -91.000 TYR 8 0.840 -31.383 24.152 2.094 -99.200 -91.000 PHE 19 1.000 -42.167 3.957 7.570 -99.200 -91.000 PHE 34 1.000 -27.626 22.374 -2.019 -99.200 -91.000 PHE 44 1.000 -37.989 5.179 10.288 -99.200 -91.000 HIS 63 0.900 -21.239 13.937 9.333 -99.200 -91.000 HIS 67 0.900 -16.028 7.004 -3.783 -99.200 -91.000 HIS 69 0.900 -17.922 7.583 -9.256 -99.200 -91.000 TYR 77 0.840 -31.339 22.601 7.918 -99.200 -91.000 TYR 84 0.840 -37.365 19.546 7.193 -99.200 -91.000 PHE 87 1.000 -29.144 12.234 1.306 -99.200 -91.000 PHE 89 1.000 -31.952 17.913 -8.447 -99.200 -91.000 PHE 97 1.000 -36.999 4.531 -15.019 -99.200 -91.000 PHE 107 1.000 -25.389 11.092 -28.101 -99.200 -91.000 TYR 109 0.840 -26.411 0.194 -22.671 -99.200 -91.000 HIS 116 0.900 -16.984 5.709 -17.216 -99.200 -91.000 TYR 117 0.840 -23.654 4.691 -17.260 -99.200 -91.000 TYR 127 0.840 -15.494 6.073 1.146 -99.200 -91.000 HIS 129 0.900 -18.312 -4.057 0.228 -99.200 -91.000 HIS 135 0.900 -26.963 0.526 -0.845 -99.200 -91.000 PHE 159 1.000 -24.828 4.384 0.915 -99.200 -91.000 HIS 180 0.900 -38.011 -9.287 -8.753 -99.200 -91.000 PHE 181 1.000 -32.463 -5.593 -8.194 -99.200 -91.000 TYR 192 0.840 -26.898 -10.395 5.502 -99.200 -91.000 TRP 199 1.040 -27.270 -11.974 -5.710 -99.200 -91.000 TRP6 199 1.020 -26.997 -14.232 -6.397 -99.200 -91.000 PHE 206 1.000 -28.938 -12.118 -16.345 -99.200 -91.000 PHE 215 1.000 -31.070 -15.436 -9.868 -99.200 -91.000 TYR 216 0.840 -37.733 -14.745 -14.756 -99.200 -91.000 PHE 223 1.000 -37.542 -14.274 -1.306 -99.200 -91.000 TYR 231 0.840 -26.975 -16.836 -14.079 -99.200 -91.000 TRP 238 1.040 -28.069 -12.584 -21.429 -99.200 -91.000 TRP6 238 1.020 -26.335 -11.639 -20.110 -99.200 -91.000 HIS 240 0.900 -26.860 -9.527 -30.737 -99.200 -91.000 TYR 264 0.840 -11.616 -4.319 -1.595 -99.200 -91.000 HIS 269 0.900 -13.735 -9.945 -15.504 -99.200 -91.000 TRP 271 1.040 -16.941 -6.347 -19.961 -99.200 -91.000 TRP6 271 1.020 -18.575 -5.205 -18.691 -99.200 -91.000 TYR 278 0.840 -9.142 -8.147 -22.016 -99.200 -91.000 TYR 280 0.840 -17.364 -8.415 -27.991 -99.200 -91.000 HIS 283 0.900 -27.439 1.119 -29.934 -99.200 -91.000 PHE 294 1.000 -35.621 -3.539 -15.170 -99.200 -91.000