============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 1 0.900 37.428 -24.957 -8.183 -99.200 -91.000 TYR 9 0.840 29.173 -24.993 -3.618 -99.200 -91.000 PHE 10 1.000 28.710 -25.789 -8.924 -99.200 -91.000 HIS 28 0.900 7.003 -3.406 -6.559 -99.200 -91.000 HIS 33 0.900 15.682 7.376 -2.385 -99.200 -91.000 PHE 35 1.000 23.018 -1.363 0.481 -99.200 -91.000 TYR 39 0.840 17.472 -3.339 5.788 -99.200 -91.000 HIS 43 0.900 14.494 -5.764 6.523 -99.200 -91.000 TYR 55 0.840 8.712 -9.422 -10.628 -99.200 -91.000 PHE 58 1.000 15.858 0.205 -11.340 -99.200 -91.000 TRP 73 1.040 18.393 -4.895 -7.408 -99.200 -91.000 TRP6 73 1.020 18.873 -7.003 -6.447 -99.200 -91.000 TYR 74 0.840 21.979 -10.235 -8.481 -99.200 -91.000 PHE 82 1.000 32.250 -4.052 -1.205 -99.200 -91.000 TYR 86 0.840 24.549 3.129 2.103 -99.200 -91.000 PHE 89 1.000 31.087 -5.018 3.626 -99.200 -91.000 TYR 99 0.840 35.950 -1.993 -0.416 -99.200 -91.000 HIS 106 0.900 30.430 1.895 16.855 -99.200 -91.000 HIS 111 0.900 26.375 -2.093 13.572 -99.200 -91.000 TYR 114 0.840 20.671 -1.388 5.739 -99.200 -91.000 PHE 115 1.000 28.071 -5.040 8.728 -99.200 -91.000 PHE 117 1.000 19.719 -6.448 1.655 -99.200 -91.000 TYR 127 0.840 20.336 -21.167 -4.483 -99.200 -91.000 TYR 135 0.840 36.827 -7.537 -7.357 -99.200 -91.000 PHE 136 1.000 33.392 -9.229 0.322 -99.200 -91.000 PHE 140 1.000 33.855 -10.608 4.644 -99.200 -91.000 TYR 141 0.840 37.289 -13.257 -0.758 -99.200 -91.000 HIS 143 0.900 37.334 -13.077 9.159 -99.200 -91.000 TYR 151 0.840 53.650 -14.851 11.110 -99.200 -91.000 TYR 159 0.840 54.772 -2.406 7.334 -99.200 -91.000 HIS 160 0.900 53.676 1.383 12.460 -99.200 -91.000 PHE 161 1.000 49.475 -6.840 16.993 -99.200 -91.000 TYR 162 0.840 54.036 -8.843 8.784 -99.200 -91.000 TYR 167 0.840 62.475 -7.202 17.836 -99.200 -91.000 TYR 178 0.840 58.803 -5.597 24.061 -99.200 -91.000 PHE 182 1.000 49.497 -16.515 25.847 -99.200 -91.000 PHE 189 1.000 28.585 -2.831 18.625 -99.200 -91.000 TYR 214 0.840 51.194 -12.694 22.100 -99.200 -91.000 HIS 216 0.900 45.718 -19.802 15.956 -99.200 -91.000 PHE 234 1.000 29.071 -11.399 4.750 -99.200 -91.000 PHE 238 1.000 28.182 -17.123 1.938 -99.200 -91.000 TYR 239 0.840 28.418 -19.713 7.558 -99.200 -91.000 PHE 250 1.000 34.003 -24.081 -3.770 -99.200 -91.000 TYR 276 0.840 62.020 -6.476 -13.551 -99.200 -91.000 HIS 277 0.900 66.095 -3.308 -4.296 -99.200 -91.000 TYR 279 0.840 66.247 -11.611 -9.468 -99.200 -91.000 TRP 288 1.040 65.381 -19.374 -16.733 -99.200 -91.000 TRP6 288 1.020 67.052 -20.027 -15.196 -99.200 -91.000 PHE 289 1.000 57.340 -13.460 -12.889 -99.200 -91.000 TRP 290 1.040 58.656 -11.207 -17.127 -99.200 -91.000 TRP6 290 1.020 56.518 -10.548 -16.351 -99.200 -91.000 PHE 296 1.000 52.467 -20.445 -13.376 -99.200 -91.000 PHE 304 1.000 52.452 -13.830 -10.113 -99.200 -91.000 PHE 307 1.000 52.868 -16.071 -3.474 -99.200 -91.000 PHE 319 1.000 47.935 -6.316 -14.213 -99.200 -91.000 PHE 331 1.000 54.933 -8.729 -10.236 -99.200 -91.000 HIS 334 0.900 62.195 -5.952 -3.873 -99.200 -91.000 HIS 347 0.900 57.060 -9.596 2.501 -99.200 -91.000 PHE 350 1.000 55.598 -2.460 1.445 -99.200 -91.000 TYR 358 0.840 63.760 -20.539 -6.837 -99.200 -91.000 PHE 361 1.000 61.028 -22.491 -17.523 -99.200 -91.000 HIS 366 0.900 58.187 -28.565 -8.166 -99.200 -91.000