============================================================================= 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 5 1.000 17.405 27.505 27.145 -99.200 -91.000 HIS 15 0.900 12.962 15.928 15.921 -99.200 -91.000 HIS 61 0.900 7.927 7.972 35.835 -99.200 -91.000 PHE 68 1.000 -3.764 5.572 29.950 -99.200 -91.000 HIS 83 0.900 -2.332 26.565 31.012 -99.200 -91.000 PHE 85 1.000 1.860 21.455 29.721 -99.200 -91.000 PHE 88 1.000 10.832 12.741 29.109 -99.200 -91.000 PHE 93 1.000 9.279 3.185 24.876 -99.200 -91.000 TYR 104 0.840 7.237 5.837 20.524 -99.200 -91.000 PHE 109 1.000 0.070 2.475 30.177 -99.200 -91.000 TRP 114 1.040 -0.556 9.242 25.360 -99.200 -91.000 TRP6 114 1.020 1.079 9.596 27.030 -99.200 -91.000 HIS 121 0.900 17.869 3.203 31.032 -99.200 -91.000 HIS 140 0.900 5.930 14.590 11.095 -99.200 -91.000 TYR 160 0.840 25.131 2.836 29.652 -99.200 -91.000 HIS 171 0.900 20.574 5.790 15.523 -99.200 -91.000 PHE 174 1.000 12.449 8.669 17.658 -99.200 -91.000 PHE 178 1.000 22.767 13.289 24.472 -99.200 -91.000 PHE 190 1.000 22.131 15.796 19.232 -99.200 -91.000 HIS 192 0.900 23.368 18.334 26.904 -99.200 -91.000 TYR 210 0.840 16.362 14.965 45.412 -99.200 -91.000 TYR 244 0.840 12.633 23.231 42.843 -99.200 -91.000 TRP 249 1.040 14.937 32.796 32.318 -99.200 -91.000 TRP6 249 1.020 14.675 31.614 30.292 -99.200 -91.000 TYR 252 0.840 19.149 30.391 29.028 -99.200 -91.000