============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 6 0.840 10.844 3.309 -3.757 -99.200 -91.000 TYR 17 0.840 21.132 10.327 -4.330 -99.200 -91.000 TRP 18 1.040 25.141 6.943 -8.472 -99.200 -91.000 TRP6 18 1.020 27.152 5.993 -9.269 -99.200 -91.000 TYR 20 0.840 30.149 5.105 -1.012 -99.200 -91.000 TRP 27 1.040 37.292 17.939 7.269 -99.200 -91.000 TRP6 27 1.020 36.597 15.930 8.281 -99.200 -91.000 TYR 33 0.840 29.016 21.301 16.966 -99.200 -91.000 TYR 44 0.840 31.762 -1.001 12.336 -99.200 -91.000 PHE 48 1.000 31.147 10.380 23.894 -99.200 -91.000 HIS 99 0.900 48.774 16.944 17.802 -99.200 -91.000 PHE 107 1.000 24.255 11.979 13.524 -99.200 -91.000 TYR 109 0.840 19.126 14.968 23.422 -99.200 -91.000 PHE 115 1.000 16.174 -3.335 22.653 -99.200 -91.000 TYR 119 0.840 11.072 -2.389 21.650 -99.200 -91.000 TYR 125 0.840 -2.849 3.595 18.050 -99.200 -91.000 TYR 129 0.840 2.826 6.750 16.720 -99.200 -91.000 TYR 130 0.840 6.369 4.327 19.635 -99.200 -91.000 TYR 132 0.840 1.724 4.481 9.049 -99.200 -91.000 TYR 140 0.840 13.170 10.523 2.236 -99.200 -91.000 HIS 142 0.900 13.830 0.349 1.903 -99.200 -91.000 HIS 148 0.900 19.628 1.353 9.146 -99.200 -91.000 HIS 154 0.900 20.616 -2.591 21.318 -99.200 -91.000 HIS 160 0.900 5.679 5.007 25.258 -99.200 -91.000 TRP 170 1.040 20.656 6.545 8.689 -99.200 -91.000 TRP6 170 1.020 19.155 5.496 7.217 -99.200 -91.000 PHE 175 1.000 24.513 6.185 -2.063 -99.200 -91.000 TYR 176 0.840 18.992 -2.307 -5.791 -99.200 -91.000 HIS 177 0.900 24.639 1.998 -7.489 -99.200 -91.000 TYR 182 0.840 24.758 -3.742 -2.858 -99.200 -91.000 TYR 190 0.840 20.845 -12.053 18.408 -99.200 -91.000 PHE 191 1.000 17.070 -7.665 15.311 -99.200 -91.000 TYR 203 0.840 22.461 -7.451 0.501 -99.200 -91.000 TYR 205 0.840 15.891 -0.223 -2.541 -99.200 -91.000 TRP 210 1.040 14.754 -11.649 8.211 -99.200 -91.000 TRP6 210 1.020 13.517 -13.604 7.798 -99.200 -91.000 PHE 216 1.000 4.318 -6.693 13.806 -99.200 -91.000 PHE 221 1.000 4.433 -14.377 17.878 -99.200 -91.000 PHE 226 1.000 9.733 -14.994 16.670 -99.200 -91.000 PHE 227 1.000 13.205 -15.889 13.193 -99.200 -91.000 TYR 228 0.840 19.978 -15.430 22.111 -99.200 -91.000 HIS 230 0.900 23.778 -19.308 21.454 -99.200 -91.000 HIS 233 0.900 27.324 -21.902 9.025 -99.200 -91.000 TYR 251 0.840 15.760 -17.537 -0.423 -99.200 -91.000 TYR 255 0.840 15.855 -15.820 -5.403 -99.200 -91.000 HIS 270 0.900 14.535 -28.503 11.890 -99.200 -91.000 TRP 275 1.040 3.705 -16.698 11.288 -99.200 -91.000 TRP6 275 1.020 5.976 -16.341 11.770 -99.200 -91.000 PHE 278 1.000 6.886 -19.333 17.399 -99.200 -91.000 HIS 285 0.900 -0.996 -7.048 25.987 -99.200 -91.000 PHE 294 1.000 3.232 -5.510 8.955 -99.200 -91.000 TYR 301 0.840 12.992 -19.934 4.681 -99.200 -91.000 HIS 303 0.900 15.824 -11.904 -2.469 -99.200 -91.000 HIS 315 0.900 -1.710 -6.190 6.804 -99.200 -91.000 TYR 317 0.84