============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 20.162 -5.595 23.728 -99.200 -91.000 TYR 7 0.840 8.761 -16.314 24.736 -99.200 -91.000 PHE 8 1.000 12.247 -17.942 16.949 -99.200 -91.000 PHE 9 1.000 5.261 -20.211 20.948 -99.200 -91.000 PHE 22 1.000 3.622 -26.095 21.365 -99.200 -91.000 TYR 27 0.840 16.832 -18.753 20.166 -99.200 -91.000 PHE 33 1.000 14.111 -16.362 27.512 -99.200 -91.000 PHE 36 1.000 5.814 -28.042 26.955 -99.200 -91.000 TRP 51 1.040 20.932 -15.200 30.830 -99.200 -91.000 TRP6 51 1.020 18.766 -14.712 30.021 -99.200 -91.000 TYR 59 0.840 9.867 -16.931 34.109 -99.200 -91.000 TRP 60 1.040 11.265 -21.307 36.588 -99.200 -91.000 TRP6 60 1.020 12.046 -21.286 34.371 -99.200 -91.000 HIS 70 0.900 1.397 -19.641 23.718 -99.200 -91.000 HIS 74 0.900 0.967 -23.619 17.682 -99.200 -91.000 TYR 84 0.840 -9.872 -22.511 8.259 -99.200 -91.000 TYR 85 0.840 -4.807 -24.189 3.400 -99.200 -91.000 HIS 93 0.900 -0.846 -31.486 6.144 -99.200 -91.000 TYR 99 0.840 4.271 -14.902 21.042 -99.200 -91.000 TRP 107 1.040 18.237 -0.695 27.575 -99.200 -91.000 TRP6 107 1.020 18.483 -2.377 29.217 -99.200 -91.000 PHE 109 1.000 6.691 -1.729 20.438 -99.200 -91.000 TYR 113 0.840 9.489 -9.263 16.135 -99.200 -91.000 HIS 114 0.900 0.819 -13.759 16.197 -99.200 -91.000 TYR 116 0.840 -0.651 -20.227 12.805 -99.200 -91.000 TYR 118 0.840 -1.432 -26.134 7.219 -99.200 -91.000 TYR 123 0.840 -3.427 -19.622 7.816 -99.200 -91.000 TRP 133 1.040 -5.042 -9.565 11.978 -99.200 -91.000 TRP6 133 1.020 -3.469 -10.650 13.324 -99.200 -91.000 HIS 145 0.900 -13.126 -13.029 6.473 -99.200 -91.000 TRP 147 1.040 -7.217 -15.219 14.752 -99.200 -91.000 TRP6 147 1.020 -4.883 -15.424 14.406 -99.200 -91.000 HIS 151 0.900 -12.935 -6.538 18.937 -99.200 -91.000 TYR 159 0.840 3.467 -10.871 25.052 -99.200 -91.000 TRP 167 1.040 7.863 -10.360 32.122 -99.200 -91.000 TRP6 167 1.020 8.652 -11.577 33.979 -99.200 -91.000 TYR 171 0.840 13.351 -12.611 30.557 -99.200 -91.000 HIS 188 0.900 41.565 -18.104 9.897 -99.200 -91.000 HIS 191 0.900 46.632 -20.145 -1.960 -99.200 -91.000 HIS 192 0.900 44.436 -25.274 2.317 -99.200 -91.000 HIS 197 0.900 43.816 -25.495 -13.823 -99.200 -91.000 TRP 204 1.040 38.039 -20.081 7.668 -99.200 -91.000 TRP6 204 1.020 36.501 -21.559 8.685 -99.200 -91.000 PHE 208 1.000 30.525 -14.246 13.809 -99.200 -91.000 TYR 209 0.840 25.738 -12.738 21.496 -99.200 -91.000 TRP 217 1.040 36.018 -13.954 -0.644 -99.200 -91.000 TRP6 217 1.020 38.348 -13.794 -0.330 -99.200 -91.000 PHE 241 1.000 25.702 -17.266 17.020 -99.200 -91.000 TRP 244 1.040 33.292 -21.767 5.692 -99.200 -91.000 TRP6 244 1.020 32.890 -22.200 3.401 -99.200 -91.000 TYR 257 0.840 39.837 -12.932 -6.516 -99.200 -91.000 HIS 260 0.900 36.715 -5.473 1.327 -99.200 -91.000 HIS 263 0.900 30.241 -8.813 15.183 -99.200 -91.000 TRP 274 1.040 44.576 -13.767 -0.360 -99.200 -91.000 TRP6 274 1.020 45.128 -15.512 1.144 -99.200 -91.000