============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. TRP 4 1.040 32.931 10.306 -5.580 -99.200 -91.000 TRP6 4 1.020 32.403 8.169 -4.733 -99.200 -91.000 TRP 7 1.040 35.265 11.336 3.476 -99.200 -91.000 TRP6 7 1.020 33.819 12.607 4.854 -99.200 -91.000 PHE 10 1.000 41.290 8.880 12.936 -99.200 -91.000 HIS 19 0.900 37.015 5.402 18.436 -99.200 -91.000 HIS 21 0.900 44.964 6.951 9.851 -99.200 -91.000 HIS 26 0.900 40.109 9.466 -2.342 -99.200 -91.000 HIS 35 0.900 27.147 0.951 3.196 -99.200 -91.000 TYR 40 0.840 39.933 0.883 6.098 -99.200 -91.000 TRP 50 1.040 34.942 8.089 16.596 -99.200 -91.000 TRP6 50 1.020 36.422 9.119 18.125 -99.200 -91.000