============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. PHE 6 1.000 14.038 21.643 49.790 -99.200 -91.000 PHE 7 1.000 20.098 27.540 47.813 -99.200 -91.000 PHE 16 1.000 15.064 38.353 37.886 -99.200 -91.000 HIS 19 0.900 20.585 38.278 31.710 -99.200 -91.000 HIS 33 0.900 28.878 18.614 47.919 -99.200 -91.000 PHE 40 1.000 17.484 18.269 47.959 -99.200 -91.000 TYR 65 0.840 18.350 19.722 38.986 -99.200 -91.000 TYR 72 0.840 9.694 15.333 35.303 -99.200 -91.000 PHE 74 1.000 15.011 16.296 37.505 -99.200 -91.000 TYR 81 0.840 4.062 14.630 42.552 -99.200 -91.000 PHE 96 1.000 -8.410 33.722 28.809 -99.200 -91.000 PHE 106 1.000 -0.507 24.781 25.720 -99.200 -91.000 HIS 110 0.900 11.013 12.285 28.775 -99.200 -91.000 PHE 125 1.000 9.249 32.183 29.746 -99.200 -91.000 TYR 126 0.840 12.092 33.114 23.135 -99.200 -91.000 PHE 128 1.000 13.411 40.167 33.232 -99.200 -91.000 HIS 130 0.900 19.782 37.028 28.310 -99.200 -91.000 PHE 139 1.000 -2.826 28.916 21.459 -99.200 -91.000 PHE 153 1.000 4.827 34.133 27.961 -99.200 -91.000 TRP 174 1.040 8.715 34.532 38.500 -99.200 -91.000 TRP6 174 1.020 10.076 36.206 37.545 -99.200 -91.000 TYR 175 0.840 8.065 40.104 34.618 -99.200 -91.000 PHE 178 1.000 6.556 34.334 33.461 -99.200 -91.000 HIS 198 0.900 14.919 9.675 46.790 -99.200 -91.000 PHE 199 1.000 18.077 13.116 49.064 -99.200 -91.000 PHE 209 1.000 18.509 29.803 51.241 -99.200 -91.000 HIS 221 0.900 5.477 22.424 53.755 -99.200 -91.000 TYR 241 0.840 17.941 36.676 57.669 -99.200 -91.000 HIS 257 0.900 20.836 35.521 60.729 -99.200 -91.000 PHE 258 1.000 18.588 31.784 59.144 -99.200 -91.000