============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. HIS 2 0.900 40.473 21.961 0.945 -99.200 -91.000 HIS 9 0.900 47.887 42.704 6.759 -99.200 -91.000 TRP 16 1.040 49.433 41.243 14.579 -99.200 -91.000 TRP6 16 1.020 48.159 43.228 14.405 -99.200 -91.000 PHE 20 1.000 45.641 38.197 14.092 -99.200 -91.000 TYR 38 0.840 51.401 34.824 11.291 -99.200 -91.000 PHE 60 1.000 47.438 24.245 -0.862 -99.200 -91.000 PHE 66 1.000 42.965 39.897 5.710 -99.200 -91.000 HIS 72 0.900 46.327 50.468 -1.272 -99.200 -91.000 HIS 87 0.900 54.627 27.748 -4.557 -99.200 -91.000