============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 7 1.000 2.429 0.829 2.264 -99.200 -91.000 TYR 9 0.840 8.966 2.881 2.333 -99.200 -91.000 PHE 18 1.000 15.068 -7.699 18.577 -99.200 -91.000 TYR 32 0.840 0.848 11.362 5.558 -99.200 -91.000 TYR 33 0.840 -2.271 3.552 7.130 -99.200 -91.000 HIS 51 0.900 10.488 -12.945 21.637 -99.200 -91.000 HIS 64 0.900 -9.225 -1.286 24.282 -99.200 -91.000 PHE 66 1.000 -8.272 4.105 25.158 -99.200 -91.000 TYR 72 0.840 -2.778 -2.477 3.652 -99.200 -91.000 PHE 74 1.000 4.311 -4.990 3.023 -99.200 -91.000 HIS 77 0.900 11.531 -13.713 -3.092 -99.200 -91.000 PHE 82 1.000 4.152 -7.099 12.275 -99.200 -91.000 TYR 86 0.840 2.934 9.341 12.998 -99.200 -91.000 PHE 93 1.000 12.607 7.240 28.058 -99.200 -91.000 PHE 94 1.000 9.929 13.862 22.905 -99.200 -91.000 HIS 95 0.900 4.890 13.586 25.181 -99.200 -91.000 PHE 102 1.000 3.126 12.444 32.177 -99.200 -91.000 PHE 109 1.000 -6.857 10.773 29.173 -99.200 -91.000 TYR 110 0.840 -1.299 10.303 29.520 -99.200 -91.000 TYR 120 0.840 -9.706 -6.247 23.249 -99.200 -91.000 HIS 122 0.900 -4.490 -8.942 31.948 -99.200 -91.000 TYR 129 0.840 2.314 -4.876 26.429 -99.200 -91.000 HIS 144 0.900 -8.294 9.523 23.668 -99.200 -91.000 PHE 150 1.000 0.298 -4.906 21.067 -99.200 -91.000 PHE 165 1.000 14.588 -13.312 34.191 -99.200 -91.000 TYR 171 0.840 9.106 -0.316 33.346 -99.200 -91.000 TYR 182 0.840 5.668 -14.854 34.471 -99.200 -91.000 TRP 188 1.040 -3.647 -6.503 36.976 -99.200 -91.000 TRP6 188 1.020 -4.454 -5.149 35.238 -99.200 -91.000 TRP 189 1.040 6.111 -5.068 39.506 -99.200 -91.000 TRP6 189 1.020 6.525 -4.952 41.820 -99.200 -91.000 TYR 196 0.840 7.196 5.141 42.954 -99.200 -91.000 PHE 205 1.000 10.812 -1.608 44.088 -99.200 -91.000 TYR 206 0.840 18.218 3.941 38.554 -99.200 -91.000 HIS 210 0.900 19.759 -4.263 33.582 -99.200 -91.000 PHE 214 1.000 17.074 -8.539 37.897 -99.200 -91.000 PHE 224 1.000 4.208 4.528 49.572 -99.200 -91.000 HIS 261 0.900 -7.234 2.303 44.910 -99.200 -91.000 PHE 263 1.000 -5.003 7.595 40.854 -99.200 -91.000 PHE 264 1.000 -7.522 4.198 37.925 -99.200 -91.000 TRP 269 1.040 -13.556 2.371 35.274 -99.200 -91.000 TRP6 269 1.020 -11.246 2.397 34.788 -99.200 -91.000 HIS 271 0.900 -19.182 8.684 30.043 -99.200 -91.000 TYR 273 0.840 -14.454 0.043 24.092 -99.200 -91.000 PHE 281 1.000 0.914 16.791 24.960 -99.200 -91.000 TYR 293 0.840 4.728 16.339 20.541 -99.200 -91.000 PHE 294 1.000 7.349 9.655 16.897 -99.200 -91.000 PHE 298 1.000 16.069 5.990 17.360 -99.200 -91.000 HIS 308 0.900 5.818 -17.654 2.257 -99.200 -91.000 PHE 309 1.000 8.888 -15.474 9.052 -99.200 -91.000 PHE 312 1.000 4.294 -11.381 8.742 -99.200 -91.000 TYR 314 0.840 -5.287 -8.455 9.345 -99.200 -91.000