============================================================================= 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. PHE 6 1.000 15.802 -40.530 21.831 -99.200 -91.000 PHE 19 1.000 26.920 -20.005 -2.083 -99.200 -91.000 PHE 26 1.000 19.394 -7.004 -5.670 -99.200 -91.000 TYR 46 0.840 16.164 -33.858 12.927 -99.200 -91.000 TYR 57 0.840 15.106 -36.970 7.216 -99.200 -91.000 HIS 62 0.900 34.460 -39.095 7.481 -99.200 -91.000 TRP 72 1.040 33.066 -31.789 3.471 -99.200 -91.000 TRP6 72 1.020 31.887 -30.014 4.507 -99.200 -91.000 TYR 82 0.840 31.226 -29.841 11.332 -99.200 -91.000 HIS 111 0.900 20.217 -33.730 0.314 -99.200 -91.000 HIS 113 0.900 23.592 -32.149 -2.535 -99.200 -91.000 HIS 116 0.900 21.667 -32.641 4.574 -99.200 -91.000 TYR 122 0.840 31.656 -43.479 10.838 -99.200 -91.000 PHE 123 1.000 24.712 -45.626 10.108 -99.200 -91.000 HIS 131 0.900 14.425 -40.316 -5.961 -99.200 -91.000 PHE 135 1.000 23.611 -46.292 -5.608 -99.200 -91.000 TYR 141 0.840 28.270 -34.434 -9.443 -99.200 -91.000 PHE 142 1.000 33.978 -43.339 -6.361 -99.200 -91.000 HIS 147 0.900 37.466 -34.206 -6.411 -99.200 -91.000 TYR 151 0.840 25.390 -35.354 -5.174 -99.200 -91.000 TRP 159 1.040 29.093 -42.710 1.391 -99.200 -91.000 TRP6 159 1.020 27.701 -41.340 0.054 -99.200 -91.000 TRP 166 1.040 24.165 -48.602 -0.941 -99.200 -91.000 TRP6 166 1.020 23.941 -46.293 -0.424 -99.200 -91.000 PHE 187 1.000 9.264 -34.161 1.042 -99.200 -91.000 HIS 191 0.900 19.423 -29.215 -1.795 -99.200 -91.000 PHE 208 1.000 8.610 -32.374 16.206 -99.200 -91.000 TYR 216 0.840 19.544 -24.838 1.865 -99.200 -91.000 TYR 221 0.840 6.725 -24.037 5.559 -99.200 -91.000 HIS 232 0.900 19.008 -31.700 -10.395 -99.200 -91.000 TYR 237 0.840 13.231 -24.886 -3.093 -99.200 -91.000 HIS 243 0.900 3.779 -33.509 -1.073 -99.200 -91.000 TYR 247 0.840 2.436 -35.742 4.648 -99.200 -91.000 PHE 257 1.000 11.160 -24.640 8.283 -99.200 -91.000 HIS 259 0.900 21.503 -27.365 6.483 -99.200 -91.000 PHE 264 1.000 19.607 -28.481 15.744 -99.200 -91.000 PHE 274 1.000 12.151 -39.241 25.624 -99.200 -91.000 TYR 275 0.840 10.874 -32.407 20.813 -99.200 -91.000