============================================================================= 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 42 1.040 38.008 31.486 50.927 -99.200 -91.000 TRP6 42 1.020 36.681 33.258 50.058 -99.200 -91.000 TRP 52 1.040 19.538 32.719 53.092 -99.200 -91.000 TRP6 52 1.020 19.557 33.893 51.034 -99.200 -91.000 TRP 54 1.040 21.080 25.198 46.880 -99.200 -91.000 TRP6 54 1.020 20.416 26.434 44.977 -99.200 -91.000