============================================================================= 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 -17.475 -27.572 -4.026 -99.200 -91.000 HIS 15 0.900 -13.070 -15.973 -15.256 -99.200 -91.000 HIS 61 0.900 -7.906 -7.964 4.640 -99.200 -91.000 PHE 68 1.000 3.725 -5.595 -1.226 -99.200 -91.000 HIS 82 0.900 2.239 -26.569 -0.093 -99.200 -91.000 PHE 84 1.000 -1.828 -21.522 -1.423 -99.200 -91.000 PHE 87 1.000 -10.855 -12.969 -1.897 -99.200 -91.000 PHE 92 1.000 -9.534 -3.220 -5.972 -99.200 -91.000 TYR 103 0.840 -7.316 -5.958 -10.441 -99.200 -91.000 PHE 108 1.000 -0.036 -2.472 -0.866 -99.200 -91.000 TRP 113 1.040 0.526 -9.341 -5.738 -99.200 -91.000 TRP6 113 1.020 -1.151 -9.649 -4.087 -99.200 -91.000 HIS 120 0.900 -17.776 -3.346 -0.089 -99.200 -91.000 HIS 139 0.900 -5.903 -14.628 -19.961 -99.200 -91.000 TYR 159 0.840 -25.167 -2.837 -1.396 -99.200 -91.000 HIS 170 0.900 -20.590 -5.741 -15.515 -99.200 -91.000 PHE 173 1.000 -12.505 -8.695 -13.377 -99.200 -91.000 PHE 177 1.000 -22.851 -13.280 -6.639 -99.200 -91.000 PHE 189 1.000 -22.297 -15.766 -11.817 -99.200 -91.000 HIS 191 0.900 -23.450 -18.335 -4.211 -99.200 -91.000 TYR 209 0.840 -16.331 -14.843 14.059 -99.200 -91.000 TYR 243 0.840 -12.657 -23.204 11.681 -99.200 -91.000 TRP 248 1.040 -14.933 -32.811 1.199 -99.200 -91.000 TRP6 248 1.020 -14.705 -31.620 -0.844 -99.200 -91.000 TYR 251 0.840 -19.188 -30.429 -2.123 -99.200 -91.000