============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. TRP 4 1.040 2.676 -3.333 -16.767 -99.200 -91.000 TRP6 4 1.020 3.806 -1.293 -17.145 -99.200 -91.000 TRP 7 1.040 -5.146 -7.610 -10.498 -99.200 -91.000 TRP6 7 1.020 -2.947 -8.176 -9.863 -99.200 -91.000 HIS 8 0.900 -8.959 0.243 -8.604 -99.200 -91.000