============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 8 1.000 -30.435 -35.157 1.114 -99.200 -91.000 TRP 15 1.040 -22.043 -21.368 6.911 -99.200 -91.000 TRP6 15 1.020 -20.418 -19.830 6.099 -99.200 -91.000 HIS 16 0.900 -26.078 -24.877 9.815 -99.200 -91.000 TYR 24 0.840 -30.633 -17.361 22.104 -99.200 -91.000 PHE 51 1.000 -45.134 -31.093 3.970 -99.200 -91.000 HIS 53 0.900 -50.412 -34.896 -4.607 -99.200 -91.000 PHE 56 1.000 -49.606 -25.594 -0.043 -99.200 -91.000 HIS 59 0.900 -56.454 -14.243 -0.965 -99.200 -91.000 HIS 61 0.900 -49.897 -16.325 -2.220 -99.200 -91.000 PHE 67 1.000 -55.800 -12.055 12.084 -99.200 -91.000 TYR 88 0.840 -23.698 -31.174 -4.996 -99.200 -91.000 TRP 100 1.040 -42.594 -17.923 13.428 -99.200 -91.000 TRP6 100 1.020 -41.495 -19.798 12.462 -99.200 -91.000 HIS 110 0.900 -47.332 -17.310 22.061 -99.200 -91.000 TYR 115 0.840 -42.472 -3.648 22.303 -99.200 -91.000 PHE 123 1.000 -48.778 -8.932 9.549 -99.200 -91.000 TYR 135 0.840 -37.092 -17.981 -9.044 -99.200 -91.000 TYR 136 0.840 -39.060 -17.585 -0.692 -99.200 -91.000 PHE 138 1.000 -43.784 -16.806 2.139 -99.200 -91.000 TYR 146 0.840 -39.350 -9.755 18.792 -99.200 -91.000 TRP 148 1.040 -33.822 -10.129 22.655 -99.200 -91.000 TRP6 148 1.020 -32.641 -12.162 22.922 -99.200 -91.000 TRP 155 1.040 -34.048 -2.490 22.092 -99.200 -91.000 TRP6 155 1.020 -36.291 -1.874 21.663 -99.200 -91.000 HIS 159 0.900 -36.888 -11.449 14.326 -99.200 -91.000 HIS 161 0.900 -38.597 -16.141 14.100 -99.200 -91.000 PHE 162 1.000 -38.476 -16.940 4.839 -99.200 -91.000 TYR 178 0.840 -31.583 -11.776 11.547 -99.200 -91.000 PHE 179 1.000 -36.993 -7.231 6.462 -99.200 -91.000 TYR 220 0.840 -36.420 -5.375 1.930 -99.200 -91.000 PHE 222 1.000 -33.626 -15.428 3.615 -99.200 -91.000 HIS 233 0.900 -20.241 -41.328 -4.993 -99.200 -91.000 PHE 234 1.000 -17.679 -45.806 -7.650 -99.200 -91.000