============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 32 rings ring int. center anis. iso. PHE 23 1.000 46.117 62.947 -9.575 -99.200 -91.000 PHE 49 1.000 38.743 59.317 -9.369 -99.200 -91.000 PHE 59 1.000 43.151 53.972 -7.822 -99.200 -91.000 PHE 68 1.000 46.809 53.067 -2.059 -99.200 -91.000 HIS 73 0.900 45.813 62.155 2.157 -99.200 -91.000 PHE 75 1.000 41.667 56.414 -4.084 -99.200 -91.000 TYR 82 0.840 28.546 60.513 -11.756 -99.200 -91.000 TRP 83 1.040 24.761 58.638 -5.670 -99.200 -91.000 TRP6 83 1.020 25.466 59.683 -3.668 -99.200 -91.000 HIS 93 0.900 27.771 55.558 -17.493 -99.200 -91.000 HIS 96 0.900 28.249 49.933 -12.956 -99.200 -91.000 PHE 98 1.000 35.475 56.558 -7.060 -99.200 -91.000 TYR 107 0.840 45.874 47.750 -2.483 -99.200 -91.000 PHE 110 1.000 41.957 52.883 -0.058 -99.200 -91.000 HIS 128 0.900 45.122 36.457 2.143 -99.200 -91.000 PHE 139 1.000 24.399 59.512 6.771 -99.200 -91.000 HIS 148 0.900 18.821 51.149 -5.443 -99.200 -91.000 PHE 153 1.000 35.161 46.899 1.247 -99.200 -91.000 PHE 184 1.000 32.729 42.314 5.479 -99.200 -91.000 HIS 193 0.900 19.823 46.830 -0.312 -99.200 -91.000 HIS 205 0.900 31.503 26.621 -9.141 -99.200 -91.000 TYR 221 0.840 17.500 41.760 2.174 -99.200 -91.000 TYR 241 0.840 26.880 33.780 7.682 -99.200 -91.000 TYR 252 0.840 13.096 37.842 4.286 -99.200 -91.000 TYR 260 0.840 19.005 38.553 -6.191 -99.200 -91.000 PHE 273 1.000 22.744 28.889 -1.574 -99.200 -91.000 PHE 278 1.000 24.192 32.119 10.926 -99.200 -91.000 TRP 305 1.040 23.579 23.813 5.942 -99.200 -91.000 TRP6 305 1.020 22.269 25.484 4.886 -99.200 -91.000 TRP 307 1.040 22.579 27.664 10.462 -99.200 -91.000 TRP6 307 1.020 20.839 28.886 9.468 -99.200 -91.000 TYR 332 0.840 16.291 29.385 13.381 -99.200 -91.000