============================================================================= 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 12 0.900 141.607 85.097 67.116 -99.200 -91.000 HIS 14 0.900 138.680 80.400 68.554 -99.200 -91.000 PHE 19 1.000 138.562 85.604 59.395 -99.200 -91.000 TYR 20 0.840 132.681 91.728 56.375 -99.200 -91.000 TRP 34 1.040 137.973 114.522 50.981 -99.200 -91.000 TRP6 34 1.020 136.437 113.518 49.504 -99.200 -91.000 PHE 38 1.000 137.959 115.329 45.707 -99.200 -91.000 HIS 44 0.900 128.737 116.933 56.025 -99.200 -91.000 TYR 45 0.840 131.320 106.533 55.721 -99.200 -91.000 PHE 66 1.000 130.238 110.858 60.999 -99.200 -91.000 PHE 89 1.000 116.947 112.606 57.905 -99.200 -91.000 HIS 91 0.900 116.091 109.062 51.643 -99.200 -91.000 PHE 101 1.000 116.254 110.222 66.529 -99.200 -91.000 PHE 112 1.000 113.826 121.417 48.661 -99.200 -91.000 PHE 116 1.000 102.240 116.697 47.575 -99.200 -91.000 HIS 122 0.900 104.858 126.146 57.041 -99.200 -91.000 TYR 124 0.840 104.647 116.897 61.020 -99.200 -91.000 HIS 125 0.900 114.101 120.217 61.856 -99.200 -91.000 PHE 149 1.000 115.890 108.990 46.193 -99.200 -91.000 HIS 158 0.900 106.131 124.816 41.987 -99.200 -91.000 TYR 162 0.840 105.051 124.700 48.085 -99.200 -91.000 PHE 175 1.000 126.713 117.089 41.684 -99.200 -91.000 HIS 176 0.900 125.642 109.737 44.394 -99.200 -91.000 TYR 187 0.840 131.373 113.048 40.197 -99.200 -91.000 TYR 188 0.840 133.384 121.483 33.521 -99.200 -91.000 PHE 198 1.000 125.107 129.057 45.283 -99.200 -91.000 HIS 206 0.900 115.097 130.187 49.032 -99.200 -91.000 TYR 209 0.840 125.607 128.521 54.008 -99.200 -91.000 HIS 218 0.900 134.623 102.660 42.552 -99.200 -91.000 TYR 229 0.840 139.529 108.120 37.350 -99.200 -91.000 TYR 233 0.840 136.779 117.991 33.420 -99.200 -91.000 PHE 241 1.000 130.907 125.683 35.544 -99.200 -91.000 PHE 242 1.000 128.849 126.275 42.818 -99.200 -91.000 PHE 256 1.000 138.436 108.839 48.258 -99.200 -91.000 PHE 257 1.000 136.852 109.221 53.000 -99.200 -91.000 HIS 260 0.900 140.497 100.473 48.222 -99.200 -91.000 TYR 261 0.840 136.951 99.786 58.410 -99.200 -91.000 TYR 278 0.840 138.989 70.819 39.476 -99.200 -91.000 TYR 280 0.840 136.687 74.689 44.510 -99.200 -91.000 PHE 281 1.000 127.700 74.569 46.501 -99.200 -91.000 PHE 282 1.000 134.468 79.810 48.452 -99.200 -91.000 TYR 287 0.840 119.684 85.465 48.789 -99.200 -91.000 PHE 290 1.000 131.450 87.477 48.780 -99.200 -91.000 PHE 295 1.000 120.631 94.312 44.870 -99.200 -91.000 TYR 314 0.840 146.183 80.032 39.014 -99.200 -91.000 TYR 320 0.840 127.632 76.932 42.225 -99.200 -91.000 HIS 332 0.900 127.320 83.145 37.606 -99.200 -91.000 HIS 340 0.900 142.690 70.371 48.098 -99.200 -91.000 TRP 344 1.040 139.813 79.456 56.941 -99.200 -91.000 TRP6 344 1.020 137.863 80.689 57.502 -99.200 -91.000 TYR 346 0.840 143.261 87.991 51.511 -99.200 -91.000 PHE 347 1.000 136.004 86.356 47.583 -99.200 -91.000 TRP 350 1.040 133.228 91.816 49.817 -99.200 -91.000 TRP6 350 1.020 133.232 91.884 47.462 -99.200 -91.000 TYR 353 0.840 127.189 101.182 48.997 -99.200 -91.000 PHE 361 1.000 116.638 82.902 51.555 -99.200 -91.000 PHE 364 1.000 123.656 78.597 55.463 -99.200 -91.000 TYR 367 0.840 129.089 90.457 59.669 -99.200 -91.000 TYR 370 0.840 139.021 87.934 64.302 -99.200 -91.000 TYR 371 0.840 136.950 96.353 64.509 -99.200 -91.000