============================================================================= 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. TYR 18 0.840 36.375 10.164 28.562 -99.200 -91.000 HIS 21 0.900 37.432 0.667 28.901 -99.200 -91.000 HIS 46 0.900 45.629 21.900 7.352 -99.200 -91.000 TYR 48 0.840 39.701 14.103 12.019 -99.200 -91.000 PHE 50 1.000 37.746 5.839 13.776 -99.200 -91.000 TYR 52 0.840 34.720 3.472 10.982 -99.200 -91.000 PHE 89 1.000 37.146 6.385 -7.725 -99.200 -91.000 TYR 94 0.840 31.140 8.522 -5.299 -99.200 -91.000 TRP 110 1.040 32.607 21.956 0.638 -99.200 -91.000 TRP6 110 1.020 31.427 23.935 0.140 -99.200 -91.000 HIS 117 0.900 36.055 32.988 -1.423 -99.200 -91.000 TYR 135 0.840 25.956 12.247 21.985 -99.200 -91.000 HIS 138 0.900 31.383 9.132 28.960 -99.200 -91.000 PHE 158 1.000 30.658 17.789 27.659 -99.200 -91.000 TYR 167 0.840 27.205 -4.387 29.594 -99.200 -91.000 PHE 188 1.000 23.974 13.951 32.511 -99.200 -91.000 TYR 194 0.840 20.816 -2.571 23.198 -99.200 -91.000 TRP 217 1.040 20.319 8.369 20.811 -99.200 -91.000 TRP6 217 1.020 20.886 10.618 20.336 -99.200 -91.000 HIS 225 0.900 22.441 -5.379 6.188 -99.200 -91.000 TYR 227 0.840 18.711 1.128 5.071 -99.200 -91.000 HIS 230 0.900 18.032 -0.490 12.246 -99.200 -91.000 TRP 247 1.040 21.629 5.676 6.894 -99.200 -91.000 TRP6 247 1.020 20.533 7.448 8.022 -99.200 -91.000 PHE 254 1.000 14.734 9.573 -1.103 -99.200 -91.000 TRP 278 1.040 25.618 18.105 7.703 -99.200 -91.000 TRP6 278 1.020 26.144 16.536 9.391 -99.200 -91.000 PHE 288 1.000 12.034 11.365 3.820 -99.200 -91.000 HIS 295 0.900 29.642 7.936 14.207 -99.200 -91.000 PHE 297 1.000 35.155 12.104 10.637 -99.200 -91.000 HIS 303 0.900 33.077 25.592 11.158 -99.200 -91.000 HIS 312 0.900 17.963 15.781 18.922 -99.200 -91.000 TRP 313 1.040 21.130 15.956 21.733 -99.200 -91.000 TRP6 313 1.020 22.031 16.775 23.743 -99.200 -91.000 PHE 330 1.000 33.179 20.285 23.081 -99.200 -91.000 TRP 347 1.040 47.630 19.087 9.676 -99.200 -91.000 TRP6 347 1.020 45.828 17.674 10.227 -99.200 -91.000 TYR 355 0.840 51.078 10.250 18.659 -99.200 -91.000