============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 11 1.000 28.428 -12.132 44.442 -99.200 -91.000 TRP 12 1.040 21.221 -10.180 47.095 -99.200 -91.000 TRP6 12 1.020 19.153 -9.167 46.542 -99.200 -91.000 TYR 23 0.840 30.664 -17.882 40.288 -99.200 -91.000 PHE 30 1.000 36.983 -8.323 49.291 -99.200 -91.000 HIS 34 0.900 40.730 -7.025 50.848 -99.200 -91.000 TYR 41 0.840 26.870 -17.111 47.492 -99.200 -91.000 PHE 46 1.000 18.242 -18.623 35.036 -99.200 -91.000 PHE 53 1.000 20.020 -4.286 42.013 -99.200 -91.000 TRP 73 1.040 19.390 -8.985 33.722 -99.200 -91.000 TRP6 73 1.020 19.493 -10.414 35.612 -99.200 -91.000 PHE 77 1.000 19.561 -4.961 37.489 -99.200 -91.000 TYR 82 0.840 16.570 0.780 41.029 -99.200 -91.000 HIS 98 0.900 37.902 -7.734 32.100 -99.200 -91.000 TYR 108 0.840 22.261 3.457 30.265 -99.200 -91.000 TYR 113 0.840 26.395 3.457 35.140 -99.200 -91.000 PHE 125 1.000 26.405 -27.276 20.896 -99.200 -91.000 TYR 126 0.840 31.479 -30.076 13.934 -99.200 -91.000 TYR 162 0.840 14.926 -28.031 15.852 -99.200 -91.000 TYR 169 0.840 21.047 -15.061 22.815 -99.200 -91.000 TRP 170 1.040 19.147 -20.892 19.182 -99.200 -91.000 TRP6 170 1.020 18.782 -20.537 21.499 -99.200 -91.000 PHE 171 1.000 16.023 -12.750 12.611 -99.200 -91.000 TYR 174 0.840 20.078 -18.435 11.003 -99.200 -91.000 TYR 176 0.840 24.264 -10.259 15.734 -99.200 -91.000 TYR 201 0.840 12.539 -11.224 10.448 -99.200 -91.000 TRP 221 1.040 16.118 -27.004 25.863 -99.200 -91.000 TRP6 221 1.020 18.215 -26.111 25.249 -99.200 -91.000 PHE 228 1.000 23.851 -32.028 17.828 -99.200 -91.000 TRP 241 1.040 22.274 -22.952 26.796 -99.200 -91.000 TRP6 241 1.020 23.186 -20.885 26.075 -99.200 -91.000 PHE 252 1.000 26.192 -36.137 19.673 -99.200 -91.000 TRP 277 1.040 25.517 -14.640 34.316 -99.200 -91.000 TRP6 277 1.020 23.562 -13.770 35.320 -99.200 -91.000 TYR 282 0.840 21.383 -0.123 46.237 -99.200 -91.000 TYR 292 0.840 33.787 2.096 44.475 -99.200 -91.000 PHE 294 1.000 32.590 -9.657 46.538 -99.200 -91.000 TYR 297 0.840 38.417 -12.286 45.628 -99.200 -91.000 TYR 321 0.840 39.441 -17.286 27.077 -99.200 -91.000 PHE 334 1.000 33.156 -29.527 23.090 -99.200 -91.000 PHE 335 1.000 30.282 -23.510 23.459 -99.200 -91.000 TRP 347 1.040 26.700 -2.833 24.884 -99.200 -91.000 TRP6 347 1.020 26.263 -5.028 25.634 -99.200 -91.000 PHE 355 1.000 16.962 -10.580 22.730 -99.200 -91.000 TYR 383 0.840 13.631 -3.831 17.331 -99.200 -91.000 TYR 390 0.840 17.355 4.416 19.424 -99.200 -91.000