============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 15 1.000 -1.907 -0.319 13.460 -99.200 -91.000 TYR 26 0.840 9.339 19.020 25.476 -99.200 -91.000 TYR 31 0.840 10.322 21.746 20.540 -99.200 -91.000 TYR 45 0.840 3.667 8.323 31.441 -99.200 -91.000 TYR 49 0.840 11.488 13.351 27.855 -99.200 -91.000 TYR 61 0.840 16.117 24.044 29.345 -99.200 -91.000 PHE 64 1.000 15.372 13.451 35.548 -99.200 -91.000 PHE 79 1.000 2.656 5.873 27.926 -99.200 -91.000 HIS 80 0.900 -2.981 12.810 33.216 -99.200 -91.000 TYR 84 0.840 7.043 19.197 33.468 -99.200 -91.000 HIS 110 0.900 28.702 9.896 36.999 -99.200 -91.000 TYR 119 0.840 39.715 0.189 47.148 -99.200 -91.000 PHE 123 1.000 25.871 7.183 39.845 -99.200 -91.000 TRP 131 1.040 -0.957 10.598 42.718 -99.200 -91.000 TRP6 131 1.020 -2.380 10.948 40.864 -99.200 -91.000 TRP 140 1.040 24.715 16.942 43.561 -99.200 -91.000 TRP6 140 1.020 25.375 16.060 41.472 -99.200 -91.000 TYR 154 0.840 33.348 -0.042 32.088 -99.200 -91.000 HIS 158 0.900 22.505 0.262 32.655 -99.200 -91.000 TRP 169 1.040 18.009 1.760 38.184 -99.200 -91.000 TRP6 169 1.020 17.633 3.253 39.956 -99.200 -91.000 PHE 186 1.000 37.614 -13.322 28.212 -99.200 -91.000 TRP 203 1.040 30.925 -2.802 26.319 -99.200 -91.000 TRP6 203 1.020 30.731 -4.377 28.069 -99.200 -91.000 TYR 214 0.840 25.419 -10.412 35.096 -99.200 -91.000 PHE 235 1.000 33.360 -12.101 38.681 -99.200 -91.000 HIS 241 0.900 25.645 -7.418 24.578 -99.200 -91.000 TYR 248 0.840 11.547 -5.600 33.010 -99.200 -91.000 HIS 252 0.900 9.394 -17.923 41.593 -99.200 -91.000 TYR 256 0.840 13.556 -7.532 41.980 -99.200 -91.000 TRP 257 1.040 11.550 -12.673 35.551 -99.200 -91.000 TRP6 257 1.020 12.324 -14.865 35.164 -99.200 -91.000 TRP 276 1.040 17.620 -9.419 47.583 -99.200 -91.000 TRP6 276 1.020 16.471 -8.717 45.642 -99.200 -91.000 PHE 280 1.000 24.865 -10.059 43.179 -99.200 -91.000 TYR 285 0.840 14.054 -19.256 33.043 -99.200 -91.000 PHE 287 1.000 16.110 -16.334 24.800 -99.200 -91.000 HIS 299 0.900 25.623 -21.131 32.375 -99.200 -91.000 TYR 303 0.840 29.046 -12.786 20.656 -99.200 -91.000 TYR 327 0.840 10.673 -13.684 26.735 -99.200 -91.000 TYR 332 0.840 14.038 -0.158 11.379 -99.200 -91.000 HIS 339 0.900 13.967 0.544 6.166 -99.200 -91.000 TYR 343 0.840 5.850 -4.083 19.213 -99.200 -91.000 TYR 344 0.840 10.148 -11.515 16.510 -99.200 -91.000 TYR 346 0.840 9.807 -14.750 21.712 -99.200 -91.000 PHE 352 1.000 1.029 -11.974 20.384 -99.200 -91.000 TYR 354 0.840 0.419 -6.597 14.287 -99.200 -91.000 PHE 355 1.000 2.425 -8.787 10.018 -99.200 -91.000 TYR 356 0.840 3.804 0.189 14.191 -99.200 -91.000 PHE 358 1.000 8.877 2.626 10.385 -99.200 -91.000 PHE 374 1.000 0.752 -0.102 28.124 -99.200 -91.000 TRP 376 1.040 -5.459 0.495 28.600 -99.200 -91.000 TRP6 376 1.020 -7.047 0.927 26.917 -99.200 -91.000 TRP 381 1.040 -3.109 -1.686 24.144 -99.200 -91.000 TRP6 381 1.020 -4.041 -0.352 22.439 -99.200 -91.000 HIS 384 0.900 7.673 2.072 17.444 -99.200 -91.000 PHE 385 1.000 9.159 6.458 22.984 -99.200 -91.000 HIS 393 0.900 7.911 6.388 13.624 -99.200 -91.000