============================================================================= 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. HIS 3 0.900 3.461 22.406 28.075 -99.200 -91.000 TYR 7 0.840 15.037 13.660 22.422 -99.200 -91.000 PHE 8 1.000 16.170 12.956 30.969 -99.200 -91.000 HIS 9 0.900 20.939 11.313 24.905 -99.200 -91.000 PHE 22 1.000 22.793 5.503 23.268 -99.200 -91.000 TYR 27 0.840 10.965 10.710 30.479 -99.200 -91.000 PHE 33 1.000 9.239 12.379 22.725 -99.200 -91.000 PHE 36 1.000 18.932 2.677 19.757 -99.200 -91.000 TRP 51 1.040 1.791 12.462 22.828 -99.200 -91.000 TRP6 51 1.020 4.010 13.103 22.472 -99.200 -91.000 TYR 59 0.840 9.991 11.305 14.810 -99.200 -91.000 TRP 60 1.040 8.513 6.238 13.802 -99.200 -91.000 TRP6 60 1.020 8.760 6.665 16.098 -99.200 -91.000 TYR 84 0.840 40.044 13.331 27.560 -99.200 -91.000 TYR 85 0.840 38.259 11.928 34.385 -99.200 -91.000 HIS 93 0.900 35.334 3.555 34.513 -99.200 -91.000 TYR 99 0.840 19.806 16.379 23.028 -99.200 -91.000 TYR 113 0.840 17.931 22.944 30.968 -99.200 -91.000 HIS 114 0.900 25.227 18.788 24.635 -99.200 -91.000 HIS 116 0.900 27.711 14.751 27.159 -99.200 -91.000 TYR 118 0.840 34.217 8.690 32.944 -99.200 -91.000 TYR 123 0.840 34.050 15.160 30.750 -99.200 -91.000 TRP 133 1.040 31.473 24.553 25.570 -99.200 -91.000 TRP6 133 1.020 29.767 22.963 25.297 -99.200 -91.000 TRP 147 1.040 33.106 19.008 22.518 -99.200 -91.000 TRP6 147 1.020 31.408 18.454 24.078 -99.200 -91.000 TYR 159 0.840 18.102 19.963 18.980 -99.200 -91.000 TRP 167 1.040 11.874 18.068 16.012 -99.200 -91.000 TRP6 167 1.020 10.520 16.790 14.605 -99.200 -91.000 TYR 171 0.840 7.655 15.731 19.255 -99.200 -91.000 HIS 188 0.900 -6.226 9.521 51.315 -99.200 -91.000 HIS 191 0.900 -4.871 9.151 64.333 -99.200 -91.000 HIS 192 0.900 -1.584 5.648 58.967 -99.200 -91.000 HIS 197 0.900 3.090 7.428 75.617 -99.200 -91.000 TRP 204 1.040 -2.158 9.008 52.263 -99.200 -91.000 TRP6 204 1.020 -0.978 7.216 51.399 -99.200 -91.000 PHE 208 1.000 1.046 14.242 42.347 -99.200 -91.000 TYR 209 0.840 1.424 14.726 33.101 -99.200 -91.000 TRP 217 1.040 1.679 16.902 57.432 -99.200 -91.000 TRP6 217 1.020 -0.560 16.864 58.126 -99.200 -91.000 PHE 241 1.000 4.777 11.414 37.681 -99.200 -91.000 TRP 244 1.040 3.527 8.436 51.789 -99.200 -91.000 TRP6 244 1.020 5.011 8.545 53.598 -99.200 -91.000 TYR 257 0.840 0.849 18.520 63.957 -99.200 -91.000 HIS 260 0.900 -1.226 24.447 54.834 -99.200 -91.000 HIS 263 0.900 -0.690 19.056 40.145 -99.200 -91.000 TRP 274 1.040 -7.826 12.517 62.292 -99.200 -91.000 TRP6 274 1.020 -8.128 10.647 60.940 -99.200 -91.000