============================================================================= 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 12.371 8.202 56.494 -99.200 -91.000 TYR 7 0.840 11.787 0.799 42.495 -99.200 -91.000 PHE 8 1.000 14.686 -5.194 47.847 -99.200 -91.000 PHE 9 1.000 14.033 -4.176 39.561 -99.200 -91.000 PHE 22 1.000 11.903 -8.421 35.923 -99.200 -91.000 TYR 27 0.840 9.695 -4.180 50.366 -99.200 -91.000 PHE 33 1.000 7.158 2.238 45.880 -99.200 -91.000 PHE 36 1.000 5.552 -6.679 35.208 -99.200 -91.000 TRP 51 1.040 2.360 5.422 50.736 -99.200 -91.000 TRP6 51 1.020 4.083 5.193 49.165 -99.200 -91.000 TYR 59 0.840 4.458 6.254 39.636 -99.200 -91.000 TRP 60 1.040 -0.261 4.073 38.816 -99.200 -91.000 TRP6 60 1.020 0.915 2.590 40.221 -99.200 -91.000 HIS 70 0.900 14.188 -1.902 35.199 -99.200 -91.000 HIS 74 0.900 16.787 -7.663 35.338 -99.200 -91.000 TYR 84 0.840 29.021 -12.909 29.979 -99.200 -91.000 TYR 85 0.840 29.326 -17.502 35.598 -99.200 -91.000 HIS 93 0.900 21.547 -21.708 35.601 -99.200 -91.000 TYR 99 0.840 17.070 0.021 40.415 -99.200 -91.000 TRP 107 1.040 13.002 13.287 54.985 -99.200 -91.000 TRP6 107 1.020 10.971 13.782 53.901 -99.200 -91.000 PHE 109 1.000 23.475 9.555 47.911 -99.200 -91.000 TYR 113 0.840 22.626 0.586 49.609 -99.200 -91.000 HIS 114 0.900 22.967 -1.747 39.398 -99.200 -91.000 TYR 116 0.840 22.809 -8.838 37.251 -99.200 -91.000 TYR 118 0.840 23.922 -16.912 36.600 -99.200 -91.000 TYR 123 0.840 27.830 -11.419 36.737 -99.200 -91.000 TRP 133 1.040 30.942 -0.820 37.425 -99.200 -91.000 TRP6 133 1.020 28.680 -1.143 37.978 -99.200 -91.000 HIS 145 0.900 37.136 -5.121 31.570 -99.200 -91.000 TRP 147 1.040 27.054 -3.398 32.706 -99.200 -91.000 TRP6 147 1.020 26.175 -4.022 34.770 -99.200 -91.000 HIS 151 0.900 31.678 6.600 30.051 -99.200 -91.000 TYR 159 0.840 17.067 5.578 39.886 -99.200 -91.000 TRP 167 1.040 10.660 9.978 41.054 -99.200 -91.000 TRP6 167 1.020 8.355 10.106 40.662 -99.200 -91.000 TYR 171 0.840 7.541 7.150 45.353 -99.200 -91.000 HIS 188 0.900 2.489 -10.418 75.488 -99.200 -91.000 HIS 191 0.900 6.711 -18.236 84.800 -99.200 -91.000 HIS 192 0.900 4.727 -20.418 78.102 -99.200 -91.000 HIS 197 0.900 15.466 -28.533 90.221 -99.200 -91.000 TRP 204 1.040 5.321 -12.549 73.217 -99.200 -91.000 TRP6 204 1.020 4.977 -13.362 71.037 -99.200 -91.000 PHE 208 1.000 8.522 -4.493 66.096 -99.200 -91.000 TYR 209 0.840 6.700 1.043 59.143 -99.200 -91.000 TRP 217 1.040 15.430 -12.015 77.674 -99.200 -91.000 TRP6 217 1.020 13.788 -11.791 79.366 -99.200 -91.000 PHE 241 1.000 7.887 -5.069 59.570 -99.200 -91.000 TRP 244 1.040 8.934 -14.949 69.963 -99.200 -91.000 TRP6 244 1.020 10.524 -16.531 70.695 -99.200 -91.000 TYR 257 0.840 17.109 -14.605 84.526 -99.200 -91.000 HIS 260 0.900 16.623 -3.702 80.220 -99.200 -91.000 HIS 263 0.900 9.973 0.753 66.947 -99.200 -91.000 TRP 274 1.040 6.616 -13.630 86.013 -99.200 -91.000 TRP6 274 1.020 4.963 -13.723 84.342 -99.200 -91.000