============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 4 1.000 35.383 5.240 41.398 -99.200 -91.000 PHE 19 1.000 25.958 0.986 35.241 -99.200 -91.000 TYR 42 0.840 33.153 3.034 20.893 -99.200 -91.000 TYR 43 0.840 30.229 -1.019 21.533 -99.200 -91.000 TYR 66 0.840 19.619 8.783 13.612 -99.200 -91.000 HIS 73 0.900 17.385 -6.003 10.601 -99.200 -91.000 TRP 81 1.040 25.078 -6.351 16.979 -99.200 -91.000 TRP6 81 1.020 26.148 -4.570 18.084 -99.200 -91.000 HIS 89 0.900 30.214 -11.226 27.454 -99.200 -91.000 TRP 100 1.040 17.574 2.670 16.977 -99.200 -91.000 TRP6 100 1.020 18.476 4.852 16.922 -99.200 -91.000 HIS 101 0.900 10.274 1.361 14.166 -99.200 -91.000 HIS 107 0.900 15.270 11.021 3.411 -99.200 -91.000 PHE 161 1.000 10.707 -2.276 20.298 -99.200 -91.000 PHE 173 1.000 24.515 -7.091 22.415 -99.200 -91.000 HIS 179 0.900 16.511 5.474 22.506 -99.200 -91.000 HIS 182 0.900 17.633 10.548 24.447 -99.200 -91.000 TYR 184 0.840 15.560 8.300 18.330 -99.200 -91.000 HIS 187 0.900 9.874 10.843 24.368 -99.200 -91.000 PHE 189 1.000 2.560 4.307 18.908 -99.200 -91.000 TYR 201 0.840 -2.040 0.038 20.893 -99.200 -91.000 TRP 223 1.040 17.329 -13.393 28.550 -99.200 -91.000 TRP6 223 1.020 19.001 -11.938 27.726 -99.200 -91.000 PHE 238 1.000 14.924 14.771 26.885 -99.200 -91.000 TYR 253 0.840 -0.155 4.562 33.744 -99.200 -91.000 TYR 265 0.840 19.189 -0.719 32.592 -99.200 -91.000 HIS 267 0.900 20.438 5.087 30.873 -99.200 -91.000 TYR 279 0.840 14.810 14.141 35.929 -99.200 -91.000 PHE 283 1.000 10.173 13.016 38.164 -99.200 -91.000 PHE 291 1.000 12.519 0.592 38.338 -99.200 -91.000 HIS 292 0.900 9.475 -0.801 44.566 -99.200 -91.000 TYR 301 0.840 23.780 12.415 36.632 -99.200 -91.000 PHE 320 1.000 29.963 10.011 34.273 -99.200 -91.000 TYR 324 0.840 32.733 4.898 29.889 -99.200 -91.000 PHE 348 1.000 31.413 13.777 20.164 -99.200 -91.000 TYR 349 0.840 26.393 12.024 15.830 -99.200 -91.000 TYR 356 0.840 34.173 3.705 16.931 -99.200 -91.000 TYR 359 0.840 38.569 10.420 21.783 -99.200 -91.000