============================================================================= 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. PHE 2 1.000 60.862 -32.815 -36.019 -99.200 -91.000 PHE 11 1.000 57.145 -22.784 -23.343 -99.200 -91.000 HIS 37 0.900 55.686 -1.865 -26.474 -99.200 -91.000 HIS 53 0.900 59.646 -17.417 -33.728 -99.200 -91.000 HIS 64 0.900 58.406 -7.668 -39.297 -99.200 -91.000 PHE 91 1.000 62.714 -12.989 -30.233 -99.200 -91.000 HIS 96 0.900 71.872 -8.433 -23.044 -99.200 -91.000 TYR 107 0.840 62.488 5.655 -24.050 -99.200 -91.000 PHE 113 1.000 53.246 2.769 -30.904 -99.200 -91.000 PHE 123 1.000 56.892 -1.469 -32.676 -99.200 -91.000 PHE 143 1.000 60.707 -4.522 -23.032 -99.200 -91.000 PHE 151 1.000 68.971 -22.978 -15.123 -99.200 -91.000 TYR 152 0.840 61.386 -25.249 -18.905 -99.200 -91.000 PHE 232 1.000 84.061 -23.488 -20.578 -99.200 -91.000 TYR 244 0.840 92.063 -18.077 -10.584 -99.200 -91.000 TYR 269 0.840 79.369 -23.124 -20.814 -99.200 -91.000 TYR 272 0.840 72.215 -27.360 -13.668 -99.200 -91.000 PHE 278 1.000 77.428 -29.338 -9.257 -99.200 -91.000 TYR 293 0.840 87.127 -28.007 -3.232 -99.200 -91.000 HIS 295 0.900 79.916 -34.318 -10.044 -99.200 -91.000 TYR 298 0.840 89.804 -31.559 -8.090 -99.200 -91.000