============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 13 0.840 -20.627 51.833 -16.744 -99.200 -91.000 TYR 17 0.840 -22.905 34.483 -23.798 -99.200 -91.000 PHE 36 1.000 -33.183 44.253 -3.468 -99.200 -91.000 PHE 45 1.000 -27.127 46.415 -8.250 -99.200 -91.000 PHE 50 1.000 -12.472 44.299 -6.790 -99.200 -91.000 PHE 75 1.000 -17.436 51.174 -13.436 -99.200 -91.000 HIS 78 0.900 -17.670 58.333 -8.794 -99.200 -91.000 PHE 86 1.000 -32.068 56.407 -11.262 -99.200 -91.000 TYR 87 0.840 -34.921 53.134 -4.595 -99.200 -91.000 PHE 102 1.000 -11.258 30.405 -6.552 -99.200 -91.000 HIS 112 0.900 1.144 36.470 0.097 -99.200 -91.000 TYR 116 0.840 -6.643 41.585 -3.065 -99.200 -91.000 HIS 131 0.900 -23.127 54.781 -2.264 -99.200 -91.000 PHE 135 1.000 -20.972 36.896 3.257 -99.200 -91.000 PHE 143 1.000 -20.320 27.090 5.641 -99.200 -91.000 HIS 150 0.900 -8.645 30.948 7.060 -99.200 -91.000 TYR 161 0.840 -24.621 26.288 0.019 -99.200 -91.000 TYR 182 0.840 -12.002 23.104 -19.401 -99.200 -91.000 PHE 188 1.000 -9.633 34.428 -15.041 -99.200 -91.000 TYR 190 0.840 -0.243 28.770 -20.560 -99.200 -91.000 TYR 198 0.840 7.130 27.574 -16.256 -99.200 -91.000 TYR 214 0.840 -12.131 19.286 -16.046 -99.200 -91.000 TRP 221 1.040 -20.282 26.839 -11.858 -99.200 -91.000 TRP6 221 1.020 -20.273 24.911 -13.234 -99.200 -91.000 TRP 223 1.040 -18.111 33.057 -3.212 -99.200 -91.000 TRP6 223 1.020 -18.447 33.182 -0.864 -99.200 -91.000 PHE 231 1.000 -25.219 38.347 0.865 -99.200 -91.000 HIS 240 0.900 -15.933 34.641 -15.409 -99.200 -91.000 PHE 249 1.000 -26.247 43.600 -16.460 -99.200 -91.000 HIS 252 0.900 -16.578 45.787 -20.145 -99.200 -91.000 TRP 260 1.040 -10.420 44.077 -23.866 -99.200 -91.000 TRP6 260 1.020 -12.733 43.817 -24.307 -99.200 -91.000 TRP 264 1.040 -9.106 39.463 -9.539 -99.200 -91.000 TRP6 264 1.020 -11.058 40.775 -9.815 -99.200 -91.000 HIS 265 0.900 -6.461 37.183 -12.301 -99.200 -91.000 PHE 275 1.000 -4.494 55.510 -14.323 -99.200 -91.000 HIS 299 0.900 -0.397 55.046 -11.311 -99.200 -91.000 TYR 300 0.840 4.647 49.333 -14.188 -99.200 -91.000