============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. HIS 1 0.900 9.184 -47.798 22.966 -99.200 -91.000 HIS 2 0.900 8.533 -44.383 27.466 -99.200 -91.000 TYR 13 0.840 36.897 -56.562 43.858 -99.200 -91.000 PHE 14 1.000 33.798 -61.605 49.298 -99.200 -91.000 TYR 34 0.840 20.527 -63.490 29.779 -99.200 -91.000 PHE 41 1.000 30.556 -58.242 14.876 -99.200 -91.000 HIS 43 0.900 26.517 -66.441 19.541 -99.200 -91.000 HIS 44 0.900 32.876 -65.530 17.021 -99.200 -91.000 PHE 47 1.000 33.399 -64.844 25.094 -99.200 -91.000 TYR 49 0.840 32.581 -53.972 24.066 -99.200 -91.000 TYR 53 0.840 28.149 -51.843 33.277 -99.200 -91.000 PHE 54 1.000 19.925 -52.782 26.973 -99.200 -91.000 TYR 74 0.840 26.931 -55.058 13.373 -99.200 -91.000 TYR 81 0.840 25.781 -49.221 14.930 -99.200 -91.000 HIS 86 0.900 13.527 -50.112 23.304 -99.200 -91.000 HIS 88 0.900 25.126 -54.557 22.547 -99.200 -91.000 TYR 91 0.840 28.047 -56.611 24.106 -99.200 -91.000 TYR 93 0.840 26.874 -45.832 27.187 -99.200 -91.000 PHE 104 1.000 26.651 -35.324 13.369 -99.200 -91.000 TYR 111 0.840 18.501 -45.672 31.910 -99.200 -91.000 HIS 113 0.900 19.878 -50.190 30.649 -99.200 -91.000 HIS 116 0.900 20.876 -48.383 37.022 -99.200 -91.000 HIS 118 0.900 16.643 -41.329 30.298 -99.200 -91.000 PHE 130 1.000 33.262 -37.036 8.850 -99.200 -91.000 HIS 131 0.900 37.367 -43.722 12.363 -99.200 -91.000 HIS 143 0.900 43.820 -28.310 27.519 -99.200 -91.000 HIS 157 0.900 30.915 -30.608 32.582 -99.200 -91.000 PHE 162 1.000 31.618 -46.145 23.950 -99.200 -91.000 PHE 164 1.000 28.839 -51.369 19.695 -99.200 -91.000 HIS 167 0.900 30.106 -46.376 13.130 -99.200 -91.000 PHE 172 1.000 29.535 -35.135 23.879 -99.200 -91.000 TYR 180 0.840 16.310 -22.349 13.425 -99.200 -91.000 PHE 188 1.000 11.195 -18.949 12.766 -99.200 -91.000 PHE 191 1.000 15.381 -16.020 21.852 -99.200 -91.000 PHE 199 1.000 19.486 -17.369 25.823 -99.200 -91.000 HIS 201 0.900 28.141 -12.832 32.174 -99.200 -91.000 HIS 211 0.900 41.634 -14.841 23.475 -99.200 -91.000 HIS 217 0.900 32.144 -24.405 18.784 -99.200 -91.000 PHE 240 1.000 33.800 -27.142 22.400 -99.200 -91.000 TYR 245 0.840 44.467 -27.294 21.751 -99.200 -91.000 HIS 247 0.900 49.307 -25.870 17.922 -99.200 -91.000 TYR 251 0.840 45.780 -21.084 8.979 -99.200 -91.000 PHE 257 1.000 22.100 -18.431 6.865 -99.200 -91.000 TYR 258 0.840 24.833 -18.441 12.403 -99.200 -91.000 TYR 269 0.840 40.672 -20.471 9.736 -99.200 -91.000 TRP 276 1.040 31.454 -12.621 11.240 -99.200 -91.000 TRP6 276 1.020 32.031 -10.514 10.419 -99.200 -91.000 TYR 289 0.840 12.579 -13.476 10.522 -99.200 -91.000 PHE 325 1.000 35.128 -14.427 -2.728 -99.200 -91.000 TYR 330 0.840 35.334 0.006 -9.223 -99.200 -91.000 TYR 333 0.840 27.805 -6.916 -3.447 -99.200 -91.000 TRP 363 1.040 24.641 -1.233 11.438 -99.200 -91.000 TRP6 363 1.020 24.859 -3.437 12.212 -99.200 -91.000 PHE 375 1.000 22.492 -6.245 20.329 -99.200 -91.000 PHE 378 1.000 28