============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 17 1.000 -13.692 8.895 25.917 -99.200 -91.000 PHE 27 1.000 -0.272 12.303 25.654 -99.200 -91.000 HIS 36 0.900 24.247 4.598 20.478 -99.200 -91.000 TYR 38 0.840 10.498 3.527 26.052 -99.200 -91.000 TYR 54 0.840 9.857 18.673 22.948 -99.200 -91.000 TRP 63 1.040 3.471 14.968 8.503 -99.200 -91.000 TRP6 63 1.020 1.316 15.560 9.304 -99.200 -91.000 TRP 70 1.040 -2.823 12.405 16.311 -99.200 -91.000 TRP6 70 1.020 -2.270 13.083 14.095 -99.200 -91.000 HIS 71 0.900 -1.188 2.562 17.926 -99.200 -91.000 HIS 72 0.900 1.070 6.959 24.837 -99.200 -91.000 PHE 74 1.000 -6.953 8.112 17.999 -99.200 -91.000 TYR 75 0.840 -4.999 1.375 19.062 -99.200 -91.000 HIS 85 0.900 -14.971 5.955 20.315 -99.200 -91.000 PHE 108 1.000 -11.931 10.398 7.060 -99.200 -91.000 PHE 111 1.000 -4.052 6.616 14.025 -99.200 -91.000 TYR 117 0.840 -14.897 20.805 11.504 -99.200 -91.000 TYR 127 0.840 -17.213 27.765 18.255 -99.200 -91.000 HIS 145 0.900 -0.543 31.648 15.579 -99.200 -91.000 TYR 150 0.840 -19.233 38.014 10.664 -99.200 -91.000 TYR 153 0.840 -17.890 30.082 9.338 -99.200 -91.000 HIS 157 0.900 -8.715 39.612 6.557 -99.200 -91.000 TYR 172 0.840 14.129 38.075 29.838 -99.200 -91.000 TYR 182 0.840 19.303 31.861 42.786 -99.200 -91.000 PHE 184 1.000 18.248 28.352 37.679 -99.200 -91.000 TYR 202 0.840 4.231 41.090 39.771 -99.200 -91.000 PHE 207 1.000 9.478 46.703 33.101 -99.200 -91.000 TYR 224 0.840 9.992 26.926 43.377 -99.200 -91.000 PHE 239 1.000 8.801 44.076 38.124 -99.200 -91.000 PHE 246 1.000 1.593 43.186 27.963 -99.200 -91.000 PHE 250 1.000 11.937 43.982 29.084 -99.200 -91.000 HIS 259 0.900 1.491 46.573 23.535 -99.200 -91.000 TYR 263 0.840 -4.499 49.800 16.728 -99.200 -91.000 TYR 278 0.840 -10.594 47.569 19.461 -99.200 -91.000 TYR 290 0.840 3.332 34.801 32.615 -99.200 -91.000 TYR 321 0.840 -5.814 22.191 31.419 -99.200 -91.000 TRP 324 1.040 -9.974 18.104 25.241 -99.200 -91.000 TRP6 324 1.020 -11.871 17.715 26.613 -99.200 -91.000 PHE 336 1.000 -18.298 19.134 14.942 -99.200 -91.000 TRP 340 1.040 -19.071 14.694 13.185 -99.200 -91.000 TRP6 340 1.020 -17.078 14.629 14.454 -99.200 -91.000 TYR 346 0.840 -9.758 10.161 2.854 -99.200 -91.000 HIS 355 0.900 -7.050 21.660 1.520 -99.200 -91.000 PHE 359 1.000 -15.041 27.771 5.235 -99.200 -91.000