============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 3 1.000 9.689 3.122 40.943 -99.200 -91.000 HIS 5 0.900 7.386 7.504 38.166 -99.200 -91.000 PHE 7 1.000 4.244 9.073 36.033 -99.200 -91.000 HIS 17 0.900 -9.809 22.704 27.510 -99.200 -91.000 PHE 31 1.000 3.022 16.948 43.096 -99.200 -91.000 PHE 34 1.000 -1.364 10.430 45.727 -99.200 -91.000 PHE 45 1.000 12.299 9.786 50.931 -99.200 -91.000 TYR 68 0.840 1.671 3.774 33.895 -99.200 -91.000 TRP 73 1.040 -4.603 5.023 33.312 -99.200 -91.000 TRP6 73 1.020 -4.307 7.044 32.123 -99.200 -91.000 TYR 74 0.840 -6.431 4.958 42.042 -99.200 -91.000 HIS 89 0.900 -2.689 1.151 43.683 -99.200 -91.000