============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. TRP 6 1.040 -53.038 80.452 39.918 -99.200 -91.000 TRP6 6 1.020 -51.800 80.752 41.893 -99.200 -91.000 TRP 42 1.040 -44.487 59.391 7.858 -99.200 -91.000 TRP6 42 1.020 -42.748 58.206 8.899 -99.200 -91.000 PHE 53 1.000 -31.981 59.529 21.917 -99.200 -91.000 TYR 59 0.840 -47.377 63.046 9.728 -99.200 -91.000 HIS 69 0.900 -57.723 81.924 18.655 -99.200 -91.000 PHE 99 1.000 -42.799 88.628 33.815 -99.200 -91.000