============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. PHE 4 1.000 34.779 17.963 2.734 -99.200 -91.000 HIS 14 0.900 27.723 29.038 13.153 -99.200 -91.000 HIS 60 0.900 23.587 9.012 21.228 -99.200 -91.000 PHE 67 1.000 28.112 14.626 32.317 -99.200 -91.000 HIS 82 0.900 44.783 13.621 19.538 -99.200 -91.000 PHE 84 1.000 38.305 15.064 18.916 -99.200 -91.000 PHE 87 1.000 26.139 15.725 16.189 -99.200 -91.000 PHE 92 1.000 18.773 19.645 22.784 -99.200 -91.000 TYR 103 0.840 22.375 24.062 23.183 -99.200 -91.000 PHE 108 1.000 23.538 14.301 30.927 -99.200 -91.000 TRP 113 1.040 29.446 19.161 27.626 -99.200 -91.000 TRP6 113 1.020 28.843 17.559 25.982 -99.200 -91.000 HIS 120 0.900 14.352 13.922 15.687 -99.200 -91.000 HIS 139 0.900 30.587 33.561 19.146 -99.200 -91.000 TYR 159 0.840 9.845 15.409 9.843 -99.200 -91.000 HIS 170 0.900 14.889 29.488 12.440 -99.200 -91.000 PHE 173 1.000 21.726 27.147 17.360 -99.200 -91.000 PHE 177 1.000 19.756 20.668 6.089 -99.200 -91.000 PHE 189 1.000 21.943 25.565 5.287 -99.200 -91.000 HIS 191 0.900 23.683 18.216 2.734 -99.200 -91.000 TYR 209 0.840 24.507 -0.170 10.159 -99.200 -91.000 TYR 243 0.840 33.552 2.180 8.700 -99.200 -91.000 TRP 248 1.040 40.430 12.735 1.684 -99.200 -91.000 TRP6 248 1.020 39.643 14.793 2.556 -99.200 -91.000 TYR 251 0.840 36.102 16.151 -0.372 -99.200 -91.000