============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 20.153 7.052 17.352 -99.200 -91.000 TRP6 14 1.020 21.370 8.956 16.656 -99.200 -91.000 PHE 19 1.000 16.007 -4.796 32.781 -99.200 -91.000 TRP 37 1.040 5.559 10.872 21.719 -99.200 -91.000 TRP6 37 1.020 3.748 9.353 21.673 -99.200 -91.000 HIS 43 0.900 9.371 -8.324 16.418 -99.200 -91.000 TYR 47 0.840 4.763 -13.739 16.826 -99.200 -91.000 TRP 49 1.040 6.882 -17.395 19.414 -99.200 -91.000 TRP6 49 1.020 9.052 -16.476 19.260 -99.200 -91.000 PHE 53 1.000 6.427 -8.623 27.309 -99.200 -91.000 HIS 65 0.900 29.677 1.237 25.736 -99.200 -91.000 TYR 70 0.840 21.446 2.293 37.828 -99.200 -91.000 TYR 84 0.840 -0.498 5.681 22.127 -99.200 -91.000 HIS 86 0.900 -0.242 0.475 11.251 -99.200 -91.000 TYR 89 0.840 2.255 -6.783 14.915 -99.200 -91.000 TRP 91 1.040 -1.525 -10.300 15.805 -99.200 -91.000 TRP6 91 1.020 -2.529 -12.424 16.107 -99.200 -91.000 PHE 110 1.000 16.363 15.273 24.137 -99.200 -91.000 TYR 113 0.840 27.391 9.933 28.366 -99.200 -91.000 HIS 115 0.900 20.614 15.079 20.434 -99.200 -91.000 TYR 132 0.840 22.690 5.115 -1.920 -99.200 -91.000 TRP 139 1.040 23.141 -3.185 24.844 -99.200 -91.000 TRP6 139 1.020 21.611 -1.394 24.646 -99.200 -91.000 PHE 177 1.000 14.854 -1.052 5.130 -99.200 -91.000 TYR 181 0.840 28.334 -6.473 3.833 -99.200 -91.000 PHE 200 1.000 19.263 -0.134 7.605 -99.200 -91.000 PHE 206 1.000 21.297 14.490 -0.334 -99.200 -91.000 TRP 210 1.040 24.237 9.834 12.567 -99.200 -91.000 TRP6 210 1.020 25.026 7.824 11.607 -99.200 -91.000 TYR 211 0.840 17.218 12.498 8.224 -99.200 -91.000 TRP 218 1.040 10.243 -10.277 8.813 -99.200 -91.000 TRP6 218 1.020 10.820 -11.948 7.241 -99.200 -91.000 TYR 228 0.840 20.198 -11.204 1.429 -99.200 -91.000 PHE 230 1.000 13.109 -9.848 4.470 -99.200 -91.000 TYR 231 0.840 16.970 -4.335 9.041 -99.200 -91.000 HIS 233 0.900 10.063 2.271 3.360 -99.200 -91.000 PHE 235 1.000 8.218 8.852 3.433 -99.200 -91.000 TRP 240 1.040 -0.152 4.213 13.479 -99.200 -91.000 TRP6 240 1.020 1.632 3.600 14.905 -99.200 -91.000 PHE 248 1.000 -3.948 8.833 21.308 -99.200 -91.000