============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 4 1.000 49.790 76.049 -0.918 -99.200 -91.000 TRP 18 1.040 45.739 54.487 7.276 -99.200 -91.000 TRP6 18 1.020 46.752 56.530 7.878 -99.200 -91.000 PHE 25 1.000 56.558 54.717 4.946 -99.200 -91.000 HIS 35 0.900 59.324 61.023 -11.302 -99.200 -91.000 PHE 55 1.000 61.393 59.586 1.663 -99.200 -91.000 PHE 57 1.000 65.534 63.240 -3.075 -99.200 -91.000 TYR 65 0.840 71.125 63.991 2.745 -99.200 -91.000 PHE 73 1.000 50.949 55.838 11.382 -99.200 -91.000 HIS 78 0.900 41.461 56.423 8.367 -99.200 -91.000 TYR 89 0.840 60.942 70.613 -0.940 -99.200 -91.000 TYR 96 0.840 58.724 73.255 10.815 -99.200 -91.000 TYR 97 0.840 58.017 71.351 2.784 -99.200 -91.000 PHE 101 1.000 51.023 63.280 2.477 -99.200 -91.000 TYR 119 0.840 55.506 78.175 3.705 -99.200 -91.000 HIS 121 0.900 60.484 80.075 2.064 -99.200 -91.000 TYR 141 0.840 53.707 59.806 -2.412 -99.200 -91.000 TYR 148 0.840 52.241 50.628 -6.803 -99.200 -91.000