============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TRP 31 1.040 180.396 -71.262 23.657 -99.200 -91.000 TRP6 31 1.020 180.019 -73.480 22.936 -99.200 -91.000 TRP 53 1.040 165.364 -43.438 34.774 -99.200 -91.000 TRP6 53 1.020 166.342 -45.584 34.965 -99.200 -91.000 TRP 64 1.040 154.861 -29.653 43.479 -99.200 -91.000 TRP6 64 1.020 156.769 -28.243 43.701 -99.200 -91.000