============================================================================= 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 6 1.000 38.876 6.023 3.400 -99.200 -91.000 PHE 21 1.000 54.984 13.744 13.452 -99.200 -91.000 PHE 36 1.000 51.057 12.098 -0.676 -99.200 -91.000 PHE 38 1.000 52.898 19.328 -0.305 -99.200 -91.000 TYR 47 0.840 50.065 13.588 9.302 -99.200 -91.000 PHE 64 1.000 53.252 -1.341 1.738 -99.200 -91.000 HIS 75 0.900 40.019 -5.706 9.418 -99.200 -91.000 HIS 96 0.900 60.369 -1.462 1.900 -99.200 -91.000 PHE 99 1.000 63.305 7.149 -1.699 -99.200 -91.000 TYR 107 0.840 56.526 12.472 0.882 -99.200 -91.000 PHE 113 1.000 50.661 2.811 -0.834 -99.200 -91.000 PHE 121 1.000 46.541 7.685 -1.568 -99.200 -91.000 TRP 123 1.040 48.610 10.350 4.436 -99.200 -91.000 TRP6 123 1.020 49.307 8.131 4.018 -99.200 -91.000