============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 2 0.840 -20.316 15.928 -7.140 -99.200 -91.000 PHE 3 1.000 -20.160 11.192 -17.363 -99.200 -91.000 TYR 10 0.840 -16.926 13.838 -23.418 -99.200 -91.000 PHE 11 1.000 -13.496 6.192 -25.300 -99.200 -91.000 TYR 13 0.840 -10.662 3.354 -15.127 -99.200 -91.000 TRP 20 1.040 -19.439 3.489 -16.582 -99.200 -91.000 TRP6 20 1.020 -21.793 3.540 -16.729 -99.200 -91.000 TYR 33 0.840 -22.695 -4.223 -30.609 -99.200 -91.000 TYR 38 0.840 -10.208 -0.274 -33.941 -99.200 -91.000 TYR 40 0.840 -14.316 4.413 -33.969 -99.200 -91.000 HIS 48 0.900 -9.920 15.998 -28.880 -99.200 -91.000 TRP 49 1.040 -14.714 19.661 -37.102 -99.200 -91.000 TRP6 49 1.020 -16.051 21.620 -37.102 -99.200 -91.000 HIS 50 0.900 -18.242 22.238 -32.373 -99.200 -91.000 PHE 52 1.000 -7.336 22.122 -36.272 -99.200 -91.000 TYR 59 0.840 -7.529 34.550 -42.154 -99.200 -91.000 HIS 61 0.900 -12.247 28.699 -39.749 -99.200 -91.000 TYR 65 0.840 -11.597 13.264 -40.177 -99.200 -91.000 PHE 86 1.000 -16.042 15.352 -44.363 -99.200 -91.000 PHE 109 1.000 -9.090 13.108 -55.759 -99.200 -91.000 PHE 130 1.000 -10.216 17.740 -59.091 -99.200 -91.000 HIS 167 0.900 16.450 27.068 -40.085 -99.200 -91.000 TYR 169 0.840 19.256 16.302 -41.993 -99.200 -91.000 PHE 179 1.000 4.271 12.832 -50.203 -99.200 -91.000 PHE 183 1.000 9.382 29.039 -52.083 -99.200 -91.000 TYR 190 0.840 0.509 28.356 -57.953 -99.200 -91.000 HIS 194 0.900 -3.837 33.035 -64.935 -99.200 -91.000 HIS 202 0.900 -10.919 28.333 -57.805 -99.200 -91.000 HIS 207 0.900 0.101 19.128 -46.872 -99.200 -91.000 PHE 218 1.000 4.682 26.783 -38.684 -99.200 -91.000 HIS 238 0.900 -5.225 38.533 -58.515 -99.200 -91.000 HIS 241 0.900 -8.233 27.226 -51.864 -99.200 -91.000 TYR 256 0.840 5.544 24.108 -34.348 -99.200 -91.000 HIS 267 0.900 -0.147 37.740 -46.603 -99.200 -91.000 PHE 274 1.000 -5.908 25.864 -40.083 -99.200 -91.000 PHE 293 1.000 -4.038 -19.027 -24.054 -99.200 -91.000 HIS 296 0.900 2.977 -14.980 -15.218 -99.200 -91.000 HIS 299 0.900 11.466 -14.429 -13.292 -99.200 -91.000 PHE 302 1.000 6.631 -12.819 -23.666 -99.200 -91.000 TRP 315 1.040 3.394 4.255 -23.721 -99.200 -91.000 TRP6 315 1.020 1.690 5.552 -22.718 -99.200 -91.000 TYR 331 0.840 1.392 -9.310 -16.854 -99.200 -91.000 PHE 343 1.000 5.644 -4.924 -30.518 -99.200 -91.000 TYR 366 0.840 -3.545 8.114 -39.750 -99.200 -91.000 PHE 368 1.000 -12.334 -1.287 -39.363 -99.200 -91.000 TYR 374 0.840 -0.299 -11.784 -41.921 -99.200 -91.000 TYR 391 0.840 -26.349 6.261 -32.251 -99.200 -91.000 TRP 403 1.040 -13.601 -18.886 -48.026 -99.200 -91.000 TRP6 403 1.020 -13.282 -18.717 -45.696 -99.200 -91.000