============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 3 1.000 -31.399 -81.570 -8.839 -99.200 -91.000 TYR 18 0.840 -17.492 -93.629 -2.489 -99.200 -91.000 TYR 19 0.840 -11.970 -86.893 -2.408 -99.200 -91.000 PHE 42 1.000 -17.803 -78.285 7.372 -99.200 -91.000 HIS 49 0.900 -2.027 -86.159 11.070 -99.200 -91.000 PHE 51 1.000 -0.412 -90.291 8.203 -99.200 -91.000 HIS 53 0.900 0.108 -84.560 1.657 -99.200 -91.000 TYR 55 0.840 -2.488 -76.410 7.879 -99.200 -91.000 TYR 56 0.840 -11.139 -72.878 8.638 -99.200 -91.000 TYR 64 0.840 -11.985 -68.423 13.553 -99.200 -91.000 TYR 72 0.840 -11.913 -86.650 23.101 -99.200 -91.000 TYR 75 0.840 -15.143 -89.895 14.267 -99.200 -91.000 TRP 80 1.040 -12.442 -85.324 14.681 -99.200 -91.000 TRP6 80 1.020 -13.552 -83.416 15.511 -99.200 -91.000 HIS 93 0.900 -17.115 -78.886 -9.182 -99.200 -91.000 PHE 112 1.000 -10.862 -87.572 11.399 -99.200 -91.000 PHE 113 1.000 -7.105 -85.275 9.552 -99.200 -91.000 TRP 119 1.040 -10.829 -88.577 3.625 -99.200 -91.000 TRP6 119 1.020 -10.777 -88.311 5.972 -99.200 -91.000 TYR 127 0.840 -31.917 -86.529 11.027 -99.200 -91.000 PHE 140 1.000 -22.796 -77.311 4.940 -99.200 -91.000 PHE 141 1.000 -29.026 -81.178 3.552 -99.200 -91.000 HIS 149 0.900 -35.937 -69.411 -0.946 -99.200 -91.000 PHE 154 1.000 -28.171 -86.148 2.586 -99.200 -91.000 HIS 172 0.900 -36.419 -90.839 -13.337 -99.200 -91.000 TYR 175 0.840 -34.359 -93.110 -9.991 -99.200 -91.000 TRP 180 1.040 -40.013-100.271 -4.652 -99.200 -91.000 TRP6 180 1.020 -42.177-100.892 -3.922 -99.200 -91.000 TYR 181 0.840 -38.735 -92.458 -1.423 -99.200 -91.000 TRP 188 1.040 -30.892 -92.399 16.363 -99.200 -91.000 TRP6 188 1.020 -29.641 -93.586 17.981 -99.200 -91.000 TYR 189 0.840 -25.699 -93.150 14.786 -99.200 -91.000 TYR 190 0.840 -29.508 -89.445 7.482 -99.200 -91.000 TYR 211 0.840 -33.062-110.524 10.353 -99.200 -91.000 TYR 213 0.840 -28.878-106.875 20.687 -99.200 -91.000 PHE 232 1.000 -19.433-111.861 10.549 -99.200 -91.000 PHE 248 1.000 -13.565-118.912 -1.266 -99.200 -91.000 PHE 252 1.000 -12.999-114.518 1.457 -99.200 -91.000 TRP 253 1.040 -15.064-117.737 4.693 -99.200 -91.000 TRP6 253 1.020 -16.787-117.058 3.230 -99.200 -91.000 TRP 261 1.040 -10.911-116.553 -7.816 -99.200 -91.000 TRP6 261 1.020 -12.069-115.262 -6.209 -99.200 -91.000 TRP 268 1.040 -17.652-111.514 -10.747 -99.200 -91.000 TRP6 268 1.020 -16.961-110.246 -8.875 -99.200 -91.000 PHE 271 1.000 -17.678-115.861 -3.558 -99.200 -91.000 TYR 277 0.840 -37.557-109.685 1.546 -99.200 -91.000 PHE 287 1.000 -37.927-100.719 0.227 -99.200 -91.000 TYR 296 0.840 -21.334-110.888 -1.109 -99.200 -91.000 TYR 305 0.840 -12.366-109.351 -6.418 -99.200 -91.000 PHE 307 1.000 -17.346-111.990 3.715 -99.200 -91.000 PHE 326 1.000 -29.239-101.438 -3.540 -99.200 -91.000 TYR 327 0.840 -29.963 -91.146 -6.908 -99.200 -91.000 PHE 330 1.000 -28.905 -90.979 3.028 -99.200 -91.000 PHE 339 1.000 -32.135 -98.140 0.659 -99.200 -91.000 HIS 345 0.900 -26.167-102.167 -10.399 -99.200 -91.000 HIS 347 0.900 -24.703-104.612 -13.739 -99.200 -91.000 PHE 350 1.000 -24.232-115.094 -17.919 -99.200 -91.000 PHE 359 1.000 -41.102-108.878 -1.892 -99.200 -91.000 TYR 369 0.840 -32.664-104.137 21.807 -99.200 -91.000