============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. TYR 5 0.840 49.860 4.883 -12.206 -99.200 -91.000 TYR 7 0.840 47.569 7.059 -6.858 -99.200 -91.000 TYR 11 0.840 42.199 10.926 -11.821 -99.200 -91.000 HIS 29 0.900 47.331 3.376 -7.432 -99.200 -91.000 TYR 35 0.840 51.009 -8.475 -10.894 -99.200 -91.000 HIS 38 0.900 53.897 1.307 -6.454 -99.200 -91.000 PHE 57 1.000 35.120 18.550 -28.279 -99.200 -91.000 HIS 58 0.900 33.153 18.872 -23.917 -99.200 -91.000 TYR 62 0.840 28.053 19.212 -22.047 -99.200 -91.000 HIS 65 0.900 21.791 21.516 -18.436 -99.200 -91.000 TYR 74 0.840 23.023 21.987 -22.961 -99.200 -91.000 TYR 78 0.840 18.220 3.641 -19.579 -99.200 -91.000 PHE 87 1.000 31.963 21.632 -13.844 -99.200 -91.000 TYR 89 0.840 32.294 12.198 -8.884 -99.200 -91.000 TRP 115 1.040 46.203 2.290 -16.868 -99.200 -91.000 TRP6 115 1.020 46.093 1.544 -19.116 -99.200 -91.000 TRP 119 1.040 35.118 9.247 -19.134 -99.200 -91.000 TRP6 119 1.020 33.896 10.697 -17.718 -99.200 -91.000 HIS 120 0.900 35.078 5.559 -26.970 -99.200 -91.000 HIS 121 0.900 30.867 6.398 -27.089 -99.200 -91.000 PHE 130 1.000 27.208 3.763 -19.990 -99.200 -91.000 TYR 132 0.840 27.835 12.154 -17.310 -99.200 -91.000 PHE 147 1.000 54.745 16.091 -29.436 -99.200 -91.000 TYR 152 0.840 41.101 8.684 -30.126 -99.200 -91.000 HIS 158 0.900 30.367 0.293 -26.887 -99.200 -91.000 HIS 159 0.900 32.738 5.628 -34.816 -99.200 -91.000 PHE 167 1.000 40.644 16.466 -32.817 -99.200 -91.000 PHE 169 1.000 33.376 18.920 -41.073 -99.200 -91.000 HIS 179 0.900 34.292 1.137 -35.063 -99.200 -91.000 PHE 181 1.000 28.631 -0.183 -38.823 -99.200 -91.000 PHE 185 1.000 27.995 -2.717 -29.857 -99.200 -91.000 PHE 186 1.000 26.180 4.766 -27.636 -99.200 -91.000 TYR 202 0.840 40.008 9.863 -49.326 -99.200 -91.000 TYR 203 0.840 44.369 13.601 -43.736 -99.200 -91.000 TYR 218 0.840 41.421 -5.803 -31.954 -99.200 -91.000 TYR 219 0.840 49.932 -7.624 -34.033 -99.200 -91.000 TYR 230 0.840 55.586 5.406 -38.358 -99.200 -91.000 PHE 233 1.000 48.168 12.000 -39.423 -99.200 -91.000 PHE 255 1.000 35.080 -6.578 -31.080 -99.200 -91.000 TYR 268 0.840 52.947 -2.019 -36.044 -99.200 -91.000 TRP 272 1.040 54.757 3.281 -35.191 -99.200 -91.000 TRP6 272 1.020 52.450 3.796 -34.986 -99.200 -91.000 TYR 284 0.840 31.269 -1.053 -19.447 -99.200 -91.000 TRP 293 1.040 42.804 -1.026 -19.092 -99.200 -91.000 TRP6 293 1.020 41.083 0.358 -18.245 -99.200 -91.000 TYR 295 0.840 49.864 -8.634 -20.848 -99.200 -91.000 HIS 312 0.900 44.957 -6.990 -5.286 -99.200 -91.000 PHE 314 1.000 39.565 -2.952 -4.516 -99.200 -91.000 PHE 315 1.000 44.155 -13.209 -3.339 -99.200 -91.000 TYR 318 0.840 41.853 -9.072 -9.284 -99.200 -91.000 TYR 322 0.840 41.637 -16.227 -5.641 -99.200 -91.000 HIS 338 0.900 35.437 -11.777 -50.057 -99.200 -91.000 TYR 346 0.840 35.785 1.390 -48.551 -99.200 -91.000 HIS 353 0.900 42.194 8.531 -52.153 -99.200 -91.000