============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 4 1.000 -56.833 -17.874 73.540 -99.200 -91.000 TYR 5 0.840 -58.100 -22.424 65.702 -99.200 -91.000 PHE 14 1.000 -58.350 -16.944 66.805 -99.200 -91.000 PHE 21 1.000 -57.533 -4.616 62.936 -99.200 -91.000 TYR 22 0.840 -57.541 -5.958 57.498 -99.200 -91.000 TYR 35 0.840 -54.111 -2.075 58.497 -99.200 -91.000 PHE 50 1.000 -48.909 -13.674 64.126 -99.200 -91.000 TYR 54 0.840 -49.188 -15.629 69.770 -99.200 -91.000 TRP 55 1.040 -54.081 -16.039 69.885 -99.200 -91.000 TRP6 55 1.020 -53.538 -15.792 72.186 -99.200 -91.000 TYR 61 0.840 -47.826 -15.713 59.231 -99.200 -91.000 HIS 67 0.900 -38.805 -18.736 61.880 -99.200 -91.000 HIS 74 0.900 -46.511 -5.097 61.468 -99.200 -91.000 PHE 77 1.000 -47.148 -0.961 56.154 -99.200 -91.000 PHE 87 1.000 -53.459 -3.848 65.804 -99.200 -91.000 HIS 92 0.900 -59.004 -3.138 73.776 -99.200 -91.000 HIS 107 0.900 -59.961 -19.307 77.351 -99.200 -91.000 TYR 114 0.840 -50.334 -11.716 70.756 -99.200 -91.000 HIS 120 0.900 -44.992 0.257 73.800 -99.200 -91.000 PHE 127 1.000 -42.333 12.639 63.031 -99.200 -91.000