============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 26.095 -44.187 -32.547 -99.200 -91.000 HIS 15 0.900 6.095 -29.972 -35.289 -99.200 -91.000 PHE 19 1.000 7.523 -22.874 -34.843 -99.200 -91.000 TYR 31 0.840 14.562 -10.664 -34.441 -99.200 -91.000 PHE 41 1.000 10.303 -11.953 -23.995 -99.200 -91.000 PHE 47 1.000 7.122 -14.100 -35.510 -99.200 -91.000 TYR 48 0.840 6.436 -19.004 -25.683 -99.200 -91.000 HIS 54 0.900 3.228 -24.836 -35.951 -99.200 -91.000 HIS 74 0.900 11.731 -38.667 -29.876 -99.200 -91.000 PHE 83 1.000 18.424 -22.262 -29.807 -99.200 -91.000 PHE 115 1.000 1.890 -23.856 -8.705 -99.200 -91.000 PHE 119 1.000 3.981 -22.965 -18.092 -99.200 -91.000 HIS 132 0.900 21.095 -20.608 -8.972 -99.200 -91.000 TRP 141 1.040 24.662 -22.061 -6.250 -99.200 -91.000 TRP6 141 1.020 22.588 -22.961 -5.523 -99.200 -91.000 TRP 160 1.040 7.923 -20.130 3.051 -99.200 -91.000 TRP6 160 1.020 9.972 -20.612 4.119 -99.200 -91.000 TRP 168 1.040 23.025 -12.236 -15.527 -99.200 -91.000 TRP6 168 1.020 23.638 -11.146 -17.540 -99.200 -91.000 TRP 175 1.040 4.546 -13.089 -23.258 -99.200 -91.000 TRP6 175 1.020 6.166 -13.430 -24.952 -99.200 -91.000 TYR 177 0.840 10.053 -5.616 -17.914 -99.200 -91.000 TYR 225 0.840 7.943 -9.264 -9.979 -99.200 -91.000 HIS 236 0.900 21.469 -16.438 -28.094 -99.200 -91.000 HIS 243 0.900 19.223 -5.424 -11.075 -99.200 -91.000 PHE 246 1.000 11.567 -11.608 -6.264 -99.200 -91.000 PHE 249 1.000 6.444 -11.329 -4.716 -99.200 -91.000 HIS 250 0.900 4.130 -10.766 3.106 -99.200 -91.000 HIS 253 0.900 4.522 -24.041 4.240 -99.200 -91.000 PHE 272 1.000 20.427 -23.565 -13.450 -99.200 -91.000 PHE 291 1.000 30.180 -27.955 -42.296 -99.200 -91.000 PHE 297 1.000 31.820 -17.156 -50.162 -99.200 -91.000 HIS 308 0.900 33.054 -23.547 -57.519 -99.200 -91.000 HIS 312 0.900 42.102 -21.937 -53.293 -99.200 -91.000 TRP 334 1.040 21.780 -36.747 -30.392 -99.200 -91.000 TRP6 334 1.020 21.357 -37.815 -32.464 -99.200 -91.000 TRP 347 1.040 23.131 -35.943 -9.628 -99.200 -91.000 TRP6 347 1.020 21.847 -35.425 -11.552 -99.200 -91.000 TYR 360 0.840 34.032 -31.295 -27.811 -99.200 -91.000 TYR 381 0.840 33.932 -7.383 -39.275 -99.200 -91.000 PHE 387 1.000 29.470 -17.024 -42.005 -99.200 -91.000 TYR 397 0.840 24.672 -20.856 -27.940 -99.200 -91.000 PHE 400 1.000 23.004 -20.194 -22.552 -99.200 -91.000 TYR 421 0.840 35.839 -39.723 -11.928 -99.200 -91.000 TRP 424 1.040 37.077 -44.917 -18.480 -99.200 -91.000 TRP6 424 1.020 36.980 -42.974 -19.822 -99.200 -91.000 TYR 428 0.840 34.086 -49.572 -21.951 -99.200 -91.000