============================================================================= 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 -1.390 -26.622 -39.512 -99.200 -91.000 PHE 10 1.000 -1.957 -9.106 -25.700 -99.200 -91.000 PHE 13 1.000 -5.694 -2.724 -17.029 -99.200 -91.000 HIS 25 0.900 -4.138 -7.837 -30.697 -99.200 -91.000 HIS 37 0.900 -9.306 -15.645 -26.986 -99.200 -91.000 TRP 40 1.040 -13.718 -4.957 -18.478 -99.200 -91.000 TRP6 40 1.020 -12.383 -4.880 -16.525 -99.200 -91.000 PHE 60 1.000 -12.265 -10.916 -15.892 -99.200 -91.000 PHE 89 1.000 -9.391 -14.378 -16.886 -99.200 -91.000 TYR 99 0.840 6.033 -19.097 -23.037 -99.200 -91.000 HIS 124 0.900 6.981 3.653 -15.440 -99.200 -91.000 TRP 125 1.040 11.132 5.245 -14.834 -99.200 -91.000 TRP6 125 1.020 11.604 7.022 -13.345 -99.200 -91.000 TYR 127 0.840 4.158 3.960 -10.578 -99.200 -91.000 HIS 128 0.900 12.448 -2.144 -10.138 -99.200 -91.000 HIS 140 0.900 16.116 -1.247 -10.569 -99.200 -91.000 PHE 161 1.000 6.629 -9.480 -22.760 -99.200 -91.000 PHE 170 1.000 3.984 -20.417 -33.669 -99.200 -91.000 TYR 184 0.840 10.451 -3.965 -32.713 -99.200 -91.000 PHE 190 1.000 15.012 13.792 -28.246 -99.200 -91.000 HIS 215 0.900 0.587 9.115 -0.292 -99.200 -91.000