============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 8 1.000 45.474 25.421 61.212 -99.200 -91.000 TYR 23 0.840 33.514 43.482 64.967 -99.200 -91.000 PHE 28 1.000 37.658 52.316 71.450 -99.200 -91.000 TYR 49 0.840 55.250 30.995 50.641 -99.200 -91.000 HIS 54 0.900 56.820 24.199 58.226 -99.200 -91.000 HIS 99 0.900 23.343 54.655 60.305 -99.200 -91.000 TYR 119 0.840 40.840 56.518 87.434 -99.200 -91.000 TRP 141 1.040 39.611 36.635 76.259 -99.200 -91.000 TRP6 141 1.020 41.766 35.729 75.866 -99.200 -91.000 TRP 151 1.040 47.344 52.596 69.937 -99.200 -91.000 TRP6 151 1.020 45.360 52.062 71.113 -99.200 -91.000 PHE 153 1.000 47.954 47.888 68.270 -99.200 -91.000 PHE 159 1.000 51.280 46.022 78.881 -99.200 -91.000 HIS 178 0.900 33.713 42.927 88.882 -99.200 -91.000