============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 15 0.840 16.846 -1.605 16.830 -99.200 -91.000 PHE 16 1.000 13.884 4.990 12.541 -99.200 -91.000 PHE 28 1.000 18.126 17.134 8.900 -99.200 -91.000 PHE 32 1.000 21.865 8.777 16.893 -99.200 -91.000 TRP 40 1.040 24.604 9.848 4.761 -99.200 -91.000 TRP6 40 1.020 22.410 9.869 3.894 -99.200 -91.000 HIS 55 0.900 13.715 9.623 3.074 -99.200 -91.000 TYR 58 0.840 22.179 22.122 6.796 -99.200 -91.000 TYR 66 0.840 26.308 26.814 5.389 -99.200 -91.000 PHE 72 1.000 32.360 14.158 -4.850 -99.200 -91.000 TYR 77 0.840 26.321 4.604 3.996 -99.200 -91.000 PHE 85 1.000 27.055 21.169 -0.752 -99.200 -91.000 PHE 86 1.000 32.722 16.054 4.312 -99.200 -91.000 PHE 103 1.000 26.001 19.032 7.983 -99.200 -91.000 PHE 114 1.000 21.015 5.486 1.457 -99.200 -91.000 HIS 116 0.900 9.589 4.146 -1.656 -99.200 -91.000 PHE 119 1.000 17.752 4.928 7.111 -99.200 -91.000 PHE 127 1.000 37.658 3.367 16.511 -99.200 -91.000 TRP 135 1.040 33.186 9.132 20.735 -99.200 -91.000 TRP6 135 1.020 32.041 9.401 22.781 -99.200 -91.000 TYR 136 0.840 37.385 10.324 16.514 -99.200 -91.000 PHE 149 1.000 29.927 5.262 20.921 -99.200 -91.000 PHE 151 1.000 24.216 2.357 19.569 -99.200 -91.000 TRP 152 1.040 17.675 -2.247 25.918 -99.200 -91.000 TRP6 152 1.020 15.582 -1.133 25.896 -99.200 -91.000 PHE 166 1.000 25.878 9.786 21.466 -99.200 -91.000 HIS 173 0.900 17.151 -0.327 29.160 -99.200 -91.000 PHE 174 1.000 24.933 -2.882 32.364 -99.200 -91.000 HIS 178 0.900 28.293 -3.949 29.525 -99.200 -91.000 TYR 180 0.840 33.796 -3.296 29.299 -99.200 -91.000 TYR 185 0.840 42.818 -2.325 10.405 -99.200 -91.000 TYR 187 0.840 37.737 1.809 7.970 -99.200 -91.000 TYR 188 0.840 34.550 -1.620 9.244 -99.200 -91.000 TRP 189 1.040 33.504 1.662 17.574 -99.200 -91.000 TRP6 189 1.020 34.558 2.259 19.589 -99.200 -91.000 PHE 191 1.000 34.263 -7.622 18.910 -99.200 -91.000 PHE 205 1.000 36.831 -20.213 7.681 -99.200 -91.000 PHE 213 1.000 32.245 -4.358 11.029 -99.200 -91.000 HIS 233 0.900 22.676 -29.276 6.450 -99.200 -91.000