============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 20 1.000 18.846 -3.840 23.820 -99.200 -91.000 TRP 32 1.040 14.818 -0.198 30.572 -99.200 -91.000 TRP6 32 1.020 13.043 1.319 30.171 -99.200 -91.000 HIS 43 0.900 5.310 -15.484 22.445 -99.200 -91.000 PHE 45 1.000 13.922 -10.012 23.905 -99.200 -91.000 HIS 46 0.900 16.284 -16.461 19.316 -99.200 -91.000 HIS 48 0.900 17.731 -14.118 14.510 -99.200 -91.000 PHE 50 1.000 24.109 -10.991 8.330 -99.200 -91.000 HIS 63 0.900 19.665 -18.050 17.284 -99.200 -91.000 PHE 64 1.000 26.874 -10.503 17.466 -99.200 -91.000 HIS 71 0.900 19.657 -21.212 20.824 -99.200 -91.000 HIS 80 0.900 24.343 -19.567 18.784 -99.200 -91.000 HIS 110 0.900 31.700 -10.524 24.056 -99.200 -91.000 HIS 119 0.900 12.316 -16.395 16.718 -99.200 -91.000