============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 9 1.000 6.098 -30.196 -2.279 -99.200 -91.000 TYR 18 0.840 30.636 -27.414 -4.987 -99.200 -91.000 PHE 22 1.000 33.222 -27.641 -9.733 -99.200 -91.000 TYR 28 0.840 24.213 -17.991 -0.938 -99.200 -91.000 PHE 31 1.000 24.983 -31.865 -8.502 -99.200 -91.000 PHE 45 1.000 18.937 -28.923 -10.503 -99.200 -91.000 HIS 47 0.900 18.591 -23.533 -6.627 -99.200 -91.000 PHE 56 1.000 20.337 -32.877 -12.340 -99.200 -91.000 TYR 66 0.840 0.022 -42.743 -16.909 -99.200 -91.000 TYR 74 0.840 24.094 -38.063 -9.196 -99.200 -91.000 TYR 82 0.840 25.500 -37.411 -18.906 -99.200 -91.000 PHE 88 1.000 30.942 -30.541 -13.019 -99.200 -91.000 TYR 92 0.840 19.306 -19.816 -8.263 -99.200 -91.000 TYR 103 0.840 10.191 -10.619 1.201 -99.200 -91.000 TYR 105 0.840 14.874 -8.855 -6.424 -99.200 -91.000 HIS 106 0.900 13.918 -13.802 -12.626 -99.200 -91.000 TYR 111 0.840 20.841 -11.901 -13.879 -99.200 -91.000 PHE 117 1.000 28.577 -24.746 -10.449 -99.200 -91.000 TYR 124 0.840 36.796 -30.778 -11.937 -99.200 -91.000 HIS 135 0.900 12.061 -27.368 -10.984 -99.200 -91.000 TYR 148 0.840 24.677 -8.457 -15.912 -99.200 -91.000 TYR 149 0.840 27.974 -12.190 -16.204 -99.200 -91.000 TRP 152 1.040 22.582 -16.267 -24.861 -99.200 -91.000 TRP6 152 1.020 20.945 -17.961 -24.557 -99.200 -91.000 PHE 158 1.000 18.168 -22.784 -20.846 -99.200 -91.000 TYR 169 0.840 -0.600 -16.156 -17.526 -99.200 -91.000 TYR 172 0.840 -1.807 -11.732 -14.852 -99.200 -91.000 TYR 173 0.840 -5.537 -11.545 -4.909 -99.200 -91.000 TYR 176 0.840 2.379 -2.728 -11.491 -99.200 -91.000 TYR 189 0.840 11.441 4.309 -15.425 -99.200 -91.000 TYR 190 0.840 14.816 4.689 -11.384 -99.200 -91.000 TYR 193 0.840 20.628 -7.016 -18.606 -99.200 -91.000 PHE 195 1.000 13.888 -11.067 -15.373 -99.200 -91.000 PHE 197 1.000 9.626 -16.082 -12.149 -99.200 -91.000 PHE 198 1.000 1.788 -8.348 -12.790 -99.200 -91.000 TRP 202 1.040 -3.978 -4.375 -22.618 -99.200 -91.000 TRP6 202 1.020 -4.138 -2.118 -21.965 -99.200 -91.000 TYR 203 0.840 -2.736 -6.443 -12.342 -99.200 -91.000 TYR 204 0.840 -7.960 -6.955 -12.697 -99.200 -91.000 TRP 207 1.040 0.386 -3.673 -22.449 -99.200 -91.000 TRP6 207 1.020 2.719 -3.619 -22.541 -99.200 -91.000 TRP 212 1.040 13.978 -9.296 -18.499 -99.200 -91.000 TRP6 212 1.020 15.957 -10.430 -19.132 -99.200 -91.000 PHE 233 1.000 17.281 -22.169 -26.563 -99.200 -91.000 TYR 234 0.840 16.586 -30.670 -26.193 -99.200 -91.000 PHE 240 1.000 -4.874 -24.835 -18.333 -99.200 -91.000 PHE 251 1.000 -5.447 -11.452 -14.684 -99.200 -91.000 TRP 252 1.040 -7.688 -22.116 -15.856 -99.200 -91.000 TRP6 252 1.020 -6.634 -23.213 -14.068 -99.200 -91.000 PHE 261 1.000 12.419 -21.793 -24.556 -99.200 -91.000 TYR 285 0.840 -0.979 -18.292 -2.753 -99.200 -91.000 TRP 287 1.040 3.431 -16.166 -6.052 -99.200 -91.000 TRP6 287 1.020 5.340 -17.497 -5.845 -99.200 -91.000 TYR 293 0.840 7.027 -25.065 -1.302 -99.200 -91.000 HIS 306 0.900 7.347 -24.909 -10.087 -99.200 -91.000 PHE 307 1.000 9.193 -27.611 -6.003 -99.200 -91.000 TYR 334 0.840 7.599 -39.515 -18.219 -99.200 -91.000 TYR 342 0.840 3.928 -26.287 -22.752 -99.200 -91.000