============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TYR 9 0.840 8.916 11.535 41.891 -99.200 -91.000 TYR 20 0.840 -7.343 22.691 50.072 -99.200 -91.000 PHE 32 1.000 6.287 7.800 41.892 -99.200 -91.000 PHE 40 1.000 0.625 8.428 39.126 -99.200 -91.000 HIS 53 0.900 -4.458 7.029 53.114 -99.200 -91.000 PHE 57 1.000 -16.296 15.240 41.631 -99.200 -91.000 PHE 61 1.000 -7.121 11.269 34.604 -99.200 -91.000 TRP 62 1.040 -2.461 16.698 30.814 -99.200 -91.000 TRP6 62 1.020 -1.837 17.418 28.646 -99.200 -91.000 TYR 68 0.840 -4.327 -1.501 18.266 -99.200 -91.000 TYR 76 0.840 -7.099 -1.799 23.087 -99.200 -91.000 TYR 81 0.840 -7.326 -1.448 32.298 -99.200 -91.000 TRP 93 1.040 -14.790 10.351 42.241 -99.200 -91.000 TRP6 93 1.020 -12.635 9.948 41.356 -99.200 -91.000 TRP 104 1.040 -17.387 10.747 35.740 -99.200 -91.000 TRP6 104 1.020 -15.834 10.966 37.498 -99.200 -91.000 PHE 117 1.000 -18.850 5.713 25.542 -99.200 -91.000 PHE 118 1.000 -12.082 10.904 23.374 -99.200 -91.000 TYR 120 0.840 -8.101 6.102 22.288 -99.200 -91.000 TYR 129 0.840 -7.557 11.503 20.730 -99.200 -91.000 TRP 133 1.040 2.588 11.895 28.272 -99.200 -91.000 TRP6 133 1.020 1.727 11.169 30.349 -99.200 -91.000 PHE 134 1.000 -6.180 10.644 25.953 -99.200 -91.000 TYR 149 0.840 -15.211 20.322 29.302 -99.200 -91.000 PHE 172 1.000 -4.420 8.682 41.822 -99.200 -91.000 PHE 183 1.000 3.005 0.556 29.649 -99.200 -91.000 TRP 185 1.040 4.106 5.702 31.321 -99.200 -91.000 TRP6 185 1.020 5.744 6.385 32.887 -99.200 -91.000 PHE 189 1.000 -6.241 12.833 40.250 -99.200 -91.000 PHE 192 1.000 -8.906 22.238 39.366 -99.200 -91.000 TYR 205 0.840 -4.919 21.159 25.698 -99.200 -91.000 PHE 215 1.000 3.489 10.040 16.492 -99.200 -91.000 TRP 216 1.040 6.121 8.013 21.342 -99.200 -91.000 TRP6 216 1.020 4.460 6.856 20.117 -99.200 -91.000 TYR 222 0.840 20.079 19.112 22.153 -99.200 -91.000 TYR 226 0.840 13.730 12.110 19.016 -99.200 -91.000 TYR 227 0.840 12.723 5.077 13.119 -99.200 -91.000 PHE 229 1.000 2.890 12.541 11.745 -99.200 -91.000 TYR 237 0.840 8.987 5.289 4.700 -99.200 -91.000 TYR 240 0.840 20.921 8.181 1.239 -99.200 -91.000 PHE 241 1.000 16.607 8.838 -5.773 -99.200 -91.000 PHE 255 1.000 -1.317 -6.465 11.786 -99.200 -91.000 TYR 262 0.840 -0.326 -0.991 13.523 -99.200 -91.000 TYR 266 0.840 8.628 2.618 16.324 -99.200 -91.000 PHE 271 1.000 16.056 12.860 10.149 -99.200 -91.000 TYR 286 0.840 21.274 29.366 16.874 -99.200 -91.000 TYR 288 0.840 26.090 20.856 14.090 -99.200 -91.000 TYR 299 0.840 25.623 9.486 4.500 -99.200 -91.000 TYR 302 0.840 26.308 18.928 5.817 -99.200 -91.000 PHE 315 1.000 25.214 17.076 -0.139 -99.200 -91.000 PHE 325 1.000 26.896 21.086 -0.307 -99.200 -91.000 TYR 326 0.840 25.056 27.493 8.439 -99.200 -91.000 TYR 334 0.840 8.768 30.157 13.575 -99.200 -91.000 TYR 335 0.840 2.822 27.450 12.726 -99.200 -91.000 TYR 340 0.840 1.968 16.100 22.228 -99.200 -91.000 PHE 353 1.000 20.614 30.150 3.731 -99.200 -91.000 PHE 356 1.000 15.544 21.238 7.491 -99.200 -91.000 PHE 361 1.000 12.454 20.372 -4.800 -99.200 -91.000 TYR 363 0.840 4.813 15.493 -9.942 -99.200 -91.000 TYR 366 0.840 13.203 14.461 -4.809 -99.200 -91.000 PHE 367 1.000 14.146 16.330 5.400 -99.200 -91.000 TRP 372 1.040 4.468 27.247 0.221 -99.200 -91.000 TRP6 372 1.020 2.867 28.717 -0.715 -99.200 -91.000 TYR 373 0.840 6.886 24.594 3.705 -99.200 -91.000 TRP 390 1.040 9.254 18.870 9.373 -99.200 -91.000 TRP6 390 1.020 9.320 17.141 7.747 -99.200 -91.000 PHE 392 1.000 12.581 15.929 15.187 -99.200 -91.000 TRP 399 1.040 3.467 2.318 17.320 -99.200 -91.000 TRP6 399 1.020 1.246 3.100 17.047 -99.200 -91.000