============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. TRP 8 1.040 -0.146 -7.223 26.711 -99.200 -91.000 TRP6 8 1.020 0.683 -5.933 28.521 -99.200 -91.000 TRP 11 1.040 0.945 7.024 27.179 -99.200 -91.000 TRP6 11 1.020 2.486 8.825 27.118 -99.200 -91.000 HIS 20 0.900 15.530 -0.392 36.059 -99.200 -91.000 HIS 53 0.900 -0.791 -8.470 30.453 -99.200 -91.000 TYR 64 0.840 0.067 -1.258 41.111 -99.200 -91.000 TYR 73 0.840 8.794 -4.926 27.901 -99.200 -91.000 TYR 78 0.840 8.386 -12.140 30.333 -99.200 -91.000 TYR 85 0.840 12.146 -14.655 32.541 -99.200 -91.000