============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 34.201 9.512 38.819 -99.200 -91.000 TYR 6 0.840 35.459 1.365 41.450 -99.200 -91.000 TRP 15 1.040 29.204 -0.733 33.983 -99.200 -91.000 TRP6 15 1.020 27.292 0.334 34.879 -99.200 -91.000 TYR 21 0.840 27.748 5.653 44.330 -99.200 -91.000 TYR 32 0.840 15.104 2.372 25.378 -99.200 -91.000 PHE 39 1.000 27.672 -1.302 51.502 -99.200 -91.000 PHE 56 1.000 25.571 13.658 25.972 -99.200 -91.000 HIS 61 0.900 20.599 6.694 22.169 -99.200 -91.000 TYR 66 0.840 17.775 19.390 29.339 -99.200 -91.000 HIS 74 0.900 13.706 20.376 38.620 -99.200 -91.000 HIS 77 0.900 4.458 12.014 45.455 -99.200 -91.000 PHE 87 1.000 28.640 8.251 38.969 -99.200 -91.000 PHE 96 1.000 28.251 15.394 29.837 -99.200 -91.000 TYR 100 0.840 28.699 5.921 34.690 -99.200 -91.000 HIS 104 0.900 17.163 5.375 48.630 -99.200 -91.000 HIS 123 0.900 -0.950 -5.916 50.590 -99.200 -91.000 PHE 126 1.000 -0.077 1.694 52.259 -99.200 -91.000 TYR 129 0.840 -3.633 7.727 49.190 -99.200 -91.000 TYR 137 0.840 5.771 15.095 42.363 -99.200 -91.000 HIS 139 0.900 -1.224 11.378 35.170 -99.200 -91.000 HIS 145 0.900 5.438 5.015 33.853 -99.200 -91.000 PHE 166 1.000 12.211 -1.485 38.417 -99.200 -91.000 TRP 174 1.040 -0.532 -9.134 28.631 -99.200 -91.000 TRP6 174 1.020 0.707 -10.518 30.103 -99.200 -91.000 TYR 175 0.840 -0.422 -4.789 33.234 -99.200 -91.000 TRP 184 1.040 -7.007 8.964 19.432 -99.200 -91.000 TRP6 184 1.020 -8.608 7.277 19.075 -99.200 -91.000 HIS 186 0.900 -3.871 15.157 22.826 -99.200 -91.000 TYR 187 0.840 -0.188 8.554 23.754 -99.200 -91.000 TRP 194 1.040 -6.823 0.660 29.633 -99.200 -91.000 TRP6 194 1.020 -9.120 0.489 29.114 -99.200 -91.000 PHE 210 1.000 -9.089 -5.537 29.627 -99.200 -91.000 HIS 215 0.900 0.138 -3.768 20.550 -99.200 -91.000 TYR 245 0.840 -11.745 -3.483 12.005 -99.200 -91.000 PHE 257 1.000 -16.135 -2.878 34.470 -99.200 -91.000 PHE 261 1.000 -13.148 -6.898 37.774 -99.200 -91.000 HIS 292 0.900 -14.477 5.746 44.363 -99.200 -91.000 TYR 294 0.840 -10.938 0.452 46.995 -99.200 -91.000 PHE 295 1.000 -8.065 4.682 46.255 -99.200 -91.000 TYR 298 0.840 -4.821 3.275 53.321 -99.200 -91.000 HIS 299 0.900 -8.369 12.514 49.639 -99.200 -91.000 TYR 310 0.840 13.285 24.565 37.994 -99.200 -91.000 PHE 314 1.000 12.240 19.644 28.149 -99.200 -91.000 TRP 324 1.040 18.875 18.324 22.370 -99.200 -91.000 TRP6 324 1.020 17.139 19.146 23.760 -99.200 -91.000 TYR 329 0.840 30.173 19.284 32.241 -99.200 -91.000 PHE 335 1.000 22.132 15.521 42.332 -99.200 -91.000