============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 18 0.840 3.597 13.124 66.955 -99.200 -91.000 TRP 27 1.040 7.916 26.349 61.562 -99.200 -91.000 TRP6 27 1.020 8.648 27.646 59.705 -99.200 -91.000 PHE 34 1.000 5.743 16.762 63.609 -99.200 -91.000 PHE 38 1.000 5.135 9.674 57.056 -99.200 -91.000 PHE 42 1.000 6.550 4.375 54.244 -99.200 -91.000 TYR 45 0.840 6.813 -0.651 58.636 -99.200 -91.000 HIS 50 0.900 18.404 7.336 49.250 -99.200 -91.000 HIS 62 0.900 3.684 13.235 36.518 -99.200 -91.000 TYR 83 0.840 -7.514 4.690 42.104 -99.200 -91.000 TYR 92 0.840 -1.151 11.722 35.523 -99.200 -91.000 PHE 107 1.000 -8.688 -10.796 43.937 -99.200 -91.000 HIS 129 0.900 3.687 -5.137 45.607 -99.200 -91.000 TYR 131 0.840 -7.944 -5.742 46.170 -99.200 -91.000 HIS 147 0.900 13.554 -9.576 28.199 -99.200 -91.000 TYR 163 0.840 8.268 -12.206 47.017 -99.200 -91.000 PHE 177 1.000 5.083 1.976 50.245 -99.200 -91.000 PHE 179 1.000 1.935 7.377 53.320 -99.200 -91.000 PHE 180 1.000 -8.668 8.934 49.875 -99.200 -91.000 TYR 217 0.840 12.094 32.918 44.058 -99.200 -91.000 TRP 218 1.040 19.518 28.512 37.587 -99.200 -91.000 TRP6 218 1.020 19.618 30.396 36.164 -99.200 -91.000 PHE 219 1.000 12.467 27.396 39.647 -99.200 -91.000 PHE 224 1.000 6.359 17.055 37.563 -99.200 -91.000 TYR 226 0.840 3.696 15.977 41.334 -99.200 -91.000 HIS 246 0.900 -2.715 2.428 63.120 -99.200 -91.000 TRP 256 1.040 -13.123 -11.447 65.065 -99.200 -91.000 TRP6 256 1.020 -12.840 -9.174 65.683 -99.200 -91.000 TYR 257 0.840 -14.677 -9.763 56.898 -99.200 -91.000 HIS 272 0.900 -4.009 -18.911 47.334 -99.200 -91.000 HIS 279 0.900 -3.242 -10.445 51.681 -99.200 -91.000 PHE 281 1.000 -6.000 -10.774 54.095 -99.200 -91.000 TRP 282 1.040 -6.599 -0.646 51.642 -99.200 -91.000 TRP6 282 1.020 -7.576 -0.570 49.507 -99.200 -91.000 TYR 284 0.840 -11.588 -11.832 54.132 -99.200 -91.000 PHE 314 1.000 -8.841 -1.161 42.557 -99.200 -91.000 HIS 315 0.900 -16.156 -1.315 36.793 -99.200 -91.000 HIS 318 0.900 -9.393 -5.218 29.679 -99.200 -91.000 TYR 323 0.840 -5.741 4.274 30.498 -99.200 -91.000 HIS 325 0.900 -5.891 3.869 24.201 -99.200 -91.000 HIS 347 0.900 -13.121 0.409 59.713 -99.200 -91.000