============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. HIS 3 0.900 -38.095 -1.404 1.243 -99.200 -91.000 PHE 10 1.000 -32.065 -2.202 -19.129 -99.200 -91.000 PHE 13 1.000 -31.000 -5.360 -30.240 -99.200 -91.000 HIS 25 0.900 -28.037 -4.122 -16.217 -99.200 -91.000 HIS 37 0.900 -35.259 -10.099 -14.645 -99.200 -91.000 TRP 40 1.040 -31.074 -13.304 -28.135 -99.200 -91.000 TRP6 40 1.020 -32.478 -11.904 -29.430 -99.200 -91.000 PHE 60 1.000 -37.329 -13.426 -26.607 -99.200 -91.000 PHE 89 1.000 -39.894 -10.825 -23.767 -99.200 -91.000 TYR 99 0.840 -42.961 4.334 -15.732 -99.200 -91.000 HIS 124 0.900 -28.711 7.905 -34.885 -99.200 -91.000 TRP 125 1.040 -28.213 12.063 -35.909 -99.200 -91.000 TRP6 125 1.020 -27.645 12.472 -38.167 -99.200 -91.000 TYR 127 0.840 -30.778 4.736 -38.882 -99.200 -91.000 HIS 128 0.900 -37.223 12.096 -35.429 -99.200 -91.000 HIS 140 0.900 -37.087 15.966 -35.474 -99.200 -91.000 PHE 161 1.000 -35.206 5.978 -21.353 -99.200 -91.000 PHE 170 1.000 -37.923 2.552 -6.498 -99.200 -91.000 TYR 184 0.840 -25.836 11.289 -16.009 -99.200 -91.000 PHE 190 1.000 -14.379 17.919 -29.479 -99.200 -91.000 HIS 215 0.900 -32.128 2.030 -50.634 -99.200 -91.000