============================================================================= 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 -8.723 -25.384 43.649 -99.200 -91.000 HIS 7 0.900 -14.553 -20.604 35.304 -99.200 -91.000 PHE 9 1.000 -18.466 -21.411 33.653 -99.200 -91.000 PHE 14 1.000 -13.125 -28.414 40.777 -99.200 -91.000 PHE 23 1.000 -2.904 -18.969 50.203 -99.200 -91.000 PHE 35 1.000 9.377 -8.490 58.365 -99.200 -91.000 PHE 49 1.000 14.576 2.017 64.630 -99.200 -91.000 PHE 64 1.000 1.272 1.573 52.856 -99.200 -91.000 HIS 73 0.900 6.607 1.136 37.589 -99.200 -91.000 HIS 102 0.900 12.666 -4.115 54.004 -99.200 -91.000 PHE 103 1.000 19.100 -0.703 60.489 -99.200 -91.000 HIS 132 0.900 -19.010 -29.714 60.944 -99.200 -91.000 HIS 146 0.900 -24.206 -52.042 65.589 -99.200 -91.000 TYR 152 0.840 -17.927 -55.054 46.105 -99.200 -91.000 TRP 170 1.040 -14.463 -44.052 53.920 -99.200 -91.000 TRP6 170 1.020 -16.810 -44.285 54.092 -99.200 -91.000 HIS 177 0.900 -4.290 -37.501 57.240 -99.200 -91.000 PHE 184 1.000 3.863 -27.452 59.792 -99.200 -91.000 PHE 189 1.000 1.630 -22.746 60.288 -99.200 -91.000 PHE 193 1.000 14.906 -9.531 61.241 -99.200 -91.000 TRP 226 1.040 12.411 -19.945 57.954 -99.200 -91.000 TRP6 226 1.020 10.669 -19.918 56.355 -99.200 -91.000 HIS 227 0.900 16.890 -15.195 54.086 -99.200 -91.000 PHE 236 1.000 0.594 -26.038 55.928 -99.200 -91.000 PHE 250 1.000 -16.385 -39.721 52.351 -99.200 -91.000 PHE 281 1.000 -4.165 -28.917 41.889 -99.200 -91.000 HIS 290 0.900 9.003 -33.535 49.057 -99.200 -91.000 TRP 304 1.040 11.040 -17.347 47.897 -99.200 -91.000 TRP6 304 1.020 11.553 -15.043 47.687 -99.200 -91.000 TRP 308 1.040 7.026 -16.869 45.515 -99.200 -91.000 TRP6 308 1.020 7.832 -14.902 44.484 -99.200 -91.000