============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 1 1.000 -43.407 56.475 -35.549 -99.200 -91.000 TRP 8 1.040 -21.807 53.697 -21.720 -99.200 -91.000 TRP6 8 1.020 -20.780 51.774 -22.629 -99.200 -91.000 PHE 18 1.000 -16.848 51.920 -17.191 -99.200 -91.000 PHE 39 1.000 -24.200 69.944 -24.280 -99.200 -91.000 TYR 45 0.840 -19.247 62.267 -8.628 -99.200 -91.000 PHE 75 1.000 -39.217 69.371 -13.734 -99.200 -91.000 TRP 87 1.040 -21.832 57.575 -16.377 -99.200 -91.000 TRP6 87 1.020 -19.710 56.739 -17.000 -99.200 -91.000 HIS 90 0.900 -33.191 58.788 -25.626 -99.200 -91.000 PHE 91 1.000 -33.286 61.355 -17.180 -99.200 -91.000 TRP 103 1.040 -27.271 78.669 -19.492 -99.200 -91.000 TRP6 103 1.020 -26.041 77.852 -17.643 -99.200 -91.000 TYR 124 0.840 -18.688 81.205 -4.289 -99.200 -91.000 PHE 125 1.000 -20.403 77.284 -1.476 -99.200 -91.000 TYR 175 0.840 -6.587 76.112 -19.332 -99.200 -91.000 PHE 181 1.000 -3.908 78.706 -11.905 -99.200 -91.000 PHE 185 1.000 5.028 73.236 -9.123 -99.200 -91.000 TYR 187 0.840 1.409 66.446 -10.520 -99.200 -91.000 TYR 205 0.840 3.130 78.029 -1.811 -99.200 -91.000 TYR 208 0.840 -2.124 71.859 -1.369 -99.200 -91.000 PHE 209 1.000 -9.866 73.837 -3.771 -99.200 -91.000 PHE 216 1.000 1.602 69.287 -5.022 -99.200 -91.000 PHE 227 1.000 -1.084 81.058 14.075 -99.200 -91.000 TYR 249 0.840 7.448 72.144 17.136 -99.200 -91.000 PHE 257 1.000 -13.881 71.707 0.042 -99.200 -91.000 TYR 260 0.840 -22.868 67.013 -3.841 -99.200 -91.000 TRP 262 1.040 -20.852 75.834 2.058 -99.200 -91.000 TRP6 262 1.020 -18.968 74.419 1.846 -99.200 -91.000 TRP 277 1.040 -17.048 86.648 -10.045 -99.200 -91.000 TRP6 277 1.020 -16.826 85.189 -8.188 -99.200 -91.000 TYR 285 0.840 -16.911 79.215 -21.238 -99.200 -91.000 HIS 286 0.900 -10.520 73.647 -23.334 -99.200 -91.000 HIS 288 0.900 -10.382 66.283 -23.287 -99.200 -91.000 PHE 293 1.000 -24.745 56.638 -23.332 -99.200 -91.000 PHE 300 1.000 -14.960 57.180 -14.781 -99.200 -91.000