============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 5 1.000 8.709 -52.530 35.843 -99.200 -91.000 HIS 7 0.900 11.240 -59.407 44.272 -99.200 -91.000 PHE 9 1.000 8.976 -62.864 46.076 -99.200 -91.000 PHE 14 1.000 4.263 -55.356 38.831 -99.200 -91.000 PHE 23 1.000 16.559 -50.184 28.757 -99.200 -91.000 PHE 35 1.000 30.666 -43.317 19.655 -99.200 -91.000 PHE 49 1.000 42.022 -43.074 12.818 -99.200 -91.000 PHE 64 1.000 36.776 -54.589 25.478 -99.200 -91.000 HIS 73 0.900 36.982 -51.443 41.462 -99.200 -91.000 HIS 102 0.900 36.032 -41.712 23.758 -99.200 -91.000 PHE 103 1.000 41.676 -37.601 16.830 -99.200 -91.000 HIS 132 0.900 -0.198 -60.763 19.070 -99.200 -91.000 HIS 146 0.900 -22.764 -56.300 15.295 -99.200 -91.000 TYR 152 0.840 -22.201 -49.067 34.650 -99.200 -91.000 TRP 170 1.040 -11.203 -50.654 26.325 -99.200 -91.000 TRP6 170 1.020 -12.393 -52.681 26.263 -99.200 -91.000 HIS 177 0.900 -1.407 -44.078 22.399 -99.200 -91.000 PHE 184 1.000 11.072 -40.544 19.204 -99.200 -91.000 PHE 189 1.000 14.327 -44.620 18.763 -99.200 -91.000 PHE 193 1.000 31.730 -37.856 16.270 -99.200 -91.000 TRP 226 1.040 21.363 -35.734 20.262 -99.200 -91.000 TRP6 226 1.020 20.862 -37.328 21.922 -99.200 -91.000 HIS 227 0.900 27.638 -33.436 23.739 -99.200 -91.000 PHE 236 1.000 11.414 -44.053 23.268 -99.200 -91.000 PHE 250 1.000 -7.822 -54.049 27.810 -99.200 -91.000 PHE 281 1.000 7.387 -46.888 37.516 -99.200 -91.000 HIS 290 0.900 8.152 -33.271 29.679 -99.200 -91.000 TRP 304 1.040 23.786 -37.890 30.405 -99.200 -91.000 TRP6 304 1.020 26.133 -38.194 30.495 -99.200 -91.000 TRP 308 1.040 22.735 -41.521 32.793 -99.200 -91.000 TRP6 308 1.020 24.912 -41.547 33.704 -99.200 -91.000