============================================================================= 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 -6.384 53.071 64.022 -99.200 -91.000 TRP6 42 1.020 -4.869 54.116 62.544 -99.200 -91.000 TRP 52 1.040 11.379 47.043 61.457 -99.200 -91.000 TRP6 52 1.020 11.732 49.268 60.784 -99.200 -91.000 TRP 54 1.040 11.170 51.731 70.081 -99.200 -91.000 TRP6 54 1.020 12.222 53.638 69.141 -99.200 -91.000