============================================================================= 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 36.804 7.586 46.132 -99.200 -91.000 TRP6 4 1.020 37.148 9.901 46.358 -99.200 -91.000 HIS 5 0.900 42.449 4.852 38.175 -99.200 -91.000 TRP 7 1.040 46.106 2.169 41.880 -99.200 -91.000 TRP6 7 1.020 43.775 1.798 41.909 -99.200 -91.000