============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 17 0.900 40.636 -24.549 11.510 -99.200 -91.000 TYR 18 0.840 35.381 -22.973 7.027 -99.200 -91.000 HIS 23 0.900 32.368 -37.604 -0.898 -99.200 -91.000 PHE 27 1.000 46.115 -26.988 -7.128 -99.200 -91.000 PHE 37 1.000 48.718 -21.777 -3.985 -99.200 -91.000 TYR 39 0.840 43.451 -27.065 -2.528 -99.200 -91.000 TYR 48 0.840 30.697 -27.473 1.240 -99.200 -91.000 PHE 49 1.000 36.657 -21.818 -6.045 -99.200 -91.000 TYR 54 0.840 51.492 -20.099 0.645 -99.200 -91.000 TYR 56 0.840 51.454 -13.024 8.722 -99.200 -91.000 HIS 57 0.900 48.279 -10.621 2.926 -99.200 -91.000 HIS 69 0.900 25.757 -10.882 3.580 -99.200 -91.000 PHE 78 1.000 28.654 -12.856 3.483 -99.200 -91.000 HIS 81 0.900 29.128 -16.146 8.295 -99.200 -91.000 PHE 88 1.000 39.746 -14.025 7.565 -99.200 -91.000 HIS 93 0.900 53.597 -21.233 8.142 -99.200 -91.000 PHE 94 1.000 47.032 -22.720 4.921 -99.200 -91.000 TYR 99 0.840 33.991 -17.767 -1.614 -99.200 -91.000 PHE 101 1.000 32.631 -26.041 -8.003 -99.200 -91.000 HIS 103 0.900 31.744 -24.787 -12.347 -99.200 -91.000 PHE 108 1.000 34.321 -12.765 -21.309 -99.200 -91.000 TRP 117 1.040 22.098 -7.424 -20.951 -99.200 -91.000 TRP6 117 1.020 24.321 -6.638 -20.667 -99.200 -91.000 HIS 128 0.900 29.061 2.318 -9.972 -99.200 -91.000 TYR 145 0.840 42.053 10.499 -13.472 -99.200 -91.000 TRP 149 1.040 49.317 1.047 -16.538 -99.200 -91.000 TRP6 149 1.020 50.571 -0.902 -16.045 -99.200 -91.000 PHE 156 1.000 55.854 -2.006 -25.225 -99.200 -91.000 TYR 157 0.840 54.888 4.989 -29.602 -99.200 -91.000 PHE 162 1.000 63.574 -9.411 -39.692 -99.200 -91.000 PHE 173 1.000 54.654 -6.535 -29.022 -99.200 -91.000 PHE 176 1.000 48.009 -7.452 -34.475 -99.200 -91.000 PHE 177 1.000 53.504 -1.134 -31.006 -99.200 -91.000 HIS 185 0.900 52.547 5.987 -32.556 -99.200 -91.000 TYR 205 0.840 38.460 9.738 -7.453 -99.200 -91.000 HIS 209 0.900 34.623 -6.029 -10.553 -99.200 -91.000 HIS 213 0.900 36.256 -9.232 -17.574 -99.200 -91.000 TYR 226 0.840 24.828 -15.759 -7.732 -99.200 -91.000 TRP 230 1.040 33.082 -8.135 -5.637 -99.200 -91.000 TRP6 230 1.020 32.629 -5.863 -6.102 -99.200 -91.000 PHE 244 1.000 35.239 -2.979 -17.538 -99.200 -91.000 TRP 253 1.040 28.616 -8.027 -21.287 -99.200 -91.000 TRP6 253 1.020 29.094 -7.187 -19.122 -99.200 -91.000 HIS 257 0.900 19.661 -6.161 -26.951 -99.200 -91.000 TYR 261 0.840 16.679 -4.374 -23.187 -99.200 -91.000 PHE 262 1.000 24.588 -0.794 -16.393 -99.200 -91.000 TYR 263 0.840 23.912 3.570 -18.813 -99.200 -91.000 TYR 266 0.840 24.396 3.278 -12.821 -99.200 -91.000 TYR 278 0.840 41.916 8.036 -18.379 -99.200 -91.000 TYR 279 0.840 38.450 5.172 -15.711 -99.200 -91.000 HIS 281 0.900 40.041 5.982 -26.618 -99.200 -91.000 TYR 291 0.840 47.526 -8.803 -23.062 -99.200 -91.000 PHE 309 1.000 51.008 -12.439 -31.892 -99.200 -91.000 TYR 311 0.840 43.998 -13.633 -23.527 -99.200 -91.000 PHE 312 1.000 49.603 -6.217 -29.648 -99.200 -91.000 PHE 316 1.000 45.087 -3.426 -31.841 -99.200 -91.000 PHE 326 1.000 40.970 3.698 -32.275 -99.200 -91.000