============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 14 0.840 -27.714 -82.531 -9.336 -99.200 -91.000 TYR 21 0.840 -49.880 -78.304 -14.074 -99.200 -91.000 PHE 53 1.000 -65.466 -48.251 -20.324 -99.200 -91.000 HIS 64 0.900 -72.437 -49.550 -19.972 -99.200 -91.000 TYR 68 0.840 -62.324 -51.793 -23.173 -99.200 -91.000 PHE 78 1.000 -59.534 -62.547 -31.319 -99.200 -91.000 TYR 81 0.840 -54.511 -60.233 -38.664 -99.200 -91.000 HIS 88 0.900 -59.540 -56.992 -14.028 -99.200 -91.000 PHE 102 1.000 -65.813 -62.506 -22.793 -99.200 -91.000 TYR 105 0.840 -65.851 -66.366 -28.472 -99.200 -91.000 TYR 140 0.840 -49.020 -66.451 -8.641 -99.200 -91.000 TYR 147 0.840 -57.003 -66.154 -11.807 -99.200 -91.000 TYR 148 0.840 -54.124 -76.017 -15.554 -99.200 -91.000 PHE 154 1.000 -51.278 -65.911 -21.949 -99.200 -91.000 TRP 157 1.040 -45.620 -59.877 -10.558 -99.200 -91.000 TRP6 157 1.020 -46.710 -60.780 -8.660 -99.200 -91.000 TYR 161 0.840 -37.515 -52.797 -12.374 -99.200 -91.000 PHE 175 1.000 -39.148 -56.470 -2.368 -99.200 -91.000 TYR 183 0.840 -45.347 -63.934 -12.621 -99.200 -91.000 HIS 206 0.900 -35.859 -41.764 -19.305 -99.200 -91.000 HIS 217 0.900 -27.715 -52.217 -12.529 -99.200 -91.000 TRP 219 1.040 -35.028 -55.305 -19.114 -99.200 -91.000 TRP6 219 1.020 -34.835 -54.756 -21.407 -99.200 -91.000 HIS 229 0.900 -36.365 -67.178 -6.630 -99.200 -91.000 TRP 233 1.040 -33.605 -69.930 -18.097 -99.200 -91.000 TRP6 233 1.020 -34.086 -67.613 -18.000 -99.200 -91.000 HIS 260 0.900 -27.302 -50.648 -32.287 -99.200 -91.000 TYR 261 0.840 -29.142 -46.810 -28.429 -99.200 -91.000 PHE 279 1.000 -39.714 -55.872 -27.785 -99.200 -91.000 TYR 292 0.840 -40.373 -46.691 -32.058 -99.200 -91.000 TYR 305 0.840 -33.937 -63.008 -27.511 -99.200 -91.000 PHE 306 1.000 -43.116 -64.946 -32.099 -99.200 -91.000 PHE 309 1.000 -48.905 -58.130 -31.762 -99.200 -91.000 TYR 311 0.840 -47.510 -53.483 -29.268 -99.200 -91.000 TRP 323 1.040 -68.068 -50.493 -28.824 -99.200 -91.000 TRP6 323 1.020 -67.575 -50.433 -26.513 -99.200 -91.000 PHE 337 1.000 -58.674 -56.331 -31.809 -99.200 -91.000 HIS 339 0.900 -55.032 -50.614 -40.451 -99.200 -91.000 TYR 352 0.840 -46.040 -50.681 -40.077 -99.200 -91.000