============================================================================= 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. HIS 10 0.900 1.206 15.399 20.222 -99.200 -91.000 TYR 13 0.840 -1.735 8.395 25.457 -99.200 -91.000 TYR 14 0.840 -9.570 10.865 18.625 -99.200 -91.000 TYR 15 0.840 -5.032 15.828 18.026 -99.200 -91.000 PHE 17 1.000 -9.802 23.114 21.128 -99.200 -91.000 TRP 18 1.040 -17.274 21.373 18.864 -99.200 -91.000 TRP6 18 1.020 -18.480 22.898 20.209 -99.200 -91.000 PHE 27 1.000 -6.697 20.796 23.853 -99.200 -91.000 TYR 35 0.840 -5.789 17.656 27.741 -99.200 -91.000 TRP 39 1.040 -11.023 27.981 30.114 -99.200 -91.000 TRP6 39 1.020 -9.843 26.260 31.227 -99.200 -91.000 TRP 45 1.040 -12.917 25.552 26.379 -99.200 -91.000 TRP6 45 1.020 -11.427 23.905 27.190 -99.200 -91.000 TRP 51 1.040 -6.605 5.012 24.803 -99.200 -91.000 TRP6 51 1.020 -7.072 6.031 26.888 -99.200 -91.000 TYR 62 0.840 -8.022 11.706 35.872 -99.200 -91.000 TYR 66 0.840 -10.555 21.361 36.225 -99.200 -91.000 TYR 73 0.840 -19.243 20.626 33.024 -99.200 -91.000 TYR 77 0.840 -17.257 14.607 25.287 -99.200 -91.000 TRP 79 1.040 -19.400 11.992 21.237 -99.200 -91.000 TRP6 79 1.020 -21.561 12.850 20.814 -99.200 -91.000 TYR 87 0.840 -18.581 7.473 27.009 -99.200 -91.000 TYR 88 0.840 -19.945 15.129 28.971 -99.200 -91.000 PHE 93 1.000 -19.935 19.458 40.041 -99.200 -91.000 TYR 96 0.840 -25.139 23.741 34.908 -99.200 -91.000 TYR 115 0.840 -17.546 8.408 39.772 -99.200 -91.000 TYR 118 0.840 -27.426 12.781 37.976 -99.200 -91.000 PHE 134 1.000 -26.621 13.688 21.001 -99.200 -91.000 TYR 135 0.840 -32.739 9.159 25.464 -99.200 -91.000 TYR 137 0.840 -27.288 6.568 28.795 -99.200 -91.000 TRP 138 1.040 -24.827 13.958 31.846 -99.200 -91.000 TRP6 138 1.020 -23.126 15.579 31.575 -99.200 -91.000 HIS 155 0.900 -17.974 5.425 35.931 -99.200 -91.000 PHE 156 1.000 -18.724 2.505 28.442 -99.200 -91.000 TRP 159 1.040 -23.331 5.468 32.612 -99.200 -91.000 TRP6 159 1.020 -21.396 6.106 31.416 -99.200 -91.000 HIS 169 0.900 -17.098 1.745 23.518 -99.200 -91.000 TYR 171 0.840 -14.643 12.120 20.780 -99.200 -91.000 TYR 179 0.840 -22.065 27.820 27.902 -99.200 -91.000 TYR 180 0.840 -20.851 32.436 27.320 -99.200 -91.000