============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 21 1.000 11.988 44.404 76.517 -99.200 -91.000 HIS 23 0.900 5.655 53.784 71.058 -99.200 -91.000 HIS 25 0.900 2.481 49.040 69.668 -99.200 -91.000 PHE 38 1.000 7.009 58.777 68.582 -99.200 -91.000 HIS 57 0.900 35.241 56.738 70.663 -99.200 -91.000 PHE 61 1.000 19.024 59.107 65.301 -99.200 -91.000 HIS 73 0.900 -2.128 52.904 64.816 -99.200 -91.000 TYR 77 0.840 -0.274 65.182 59.715 -99.200 -91.000 HIS 92 0.900 25.408 63.388 65.464 -99.200 -91.000 PHE 96 1.000 11.792 60.151 61.315 -99.200 -91.000 HIS 97 0.900 15.441 54.563 54.421 -99.200 -91.000 PHE 121 1.000 7.635 61.083 59.170 -99.200 -91.000 PHE 129 1.000 7.802 52.956 55.775 -99.200 -91.000 TYR 131 0.840 14.943 56.099 63.884 -99.200 -91.000 HIS 132 0.900 19.904 56.577 56.952 -99.200 -91.000 TRP 141 1.040 32.701 57.614 61.028 -99.200 -91.000 TRP6 141 1.020 32.939 59.685 62.106 -99.200 -91.000 HIS 142 0.900 27.401 61.290 61.708 -99.200 -91.000 HIS 160 0.900 -6.993 43.297 58.366 -99.200 -91.000 TYR 169 0.840 1.818 43.360 67.098 -99.200 -91.000 TYR 173 0.840 10.578 40.322 72.281 -99.200 -91.000 TYR 174 0.840 14.151 48.176 65.836 -99.200 -91.000 PHE 180 1.000 28.694 48.522 65.937 -99.200 -91.000 TYR 181 0.840 31.604 47.929 58.086 -99.200 -91.000 TYR 190 0.840 38.105 43.476 66.742 -99.200 -91.000 TYR 193 0.840 40.891 54.272 66.742 -99.200 -91.000 TYR 200 0.840 36.089 59.979 58.405 -99.200 -91.000 HIS 214 0.900 33.150 43.277 66.404 -99.200 -91.000 PHE 217 1.000 20.499 39.785 65.227 -99.200 -91.000 HIS 242 0.900 16.715 41.376 61.593 -99.200 -91.000 HIS 252 0.900 16.238 29.703 59.651 -99.200 -91.000 HIS 257 0.900 9.040 26.647 60.063 -99.200 -91.000 TYR 260 0.840 0.229 34.846 58.278 -99.200 -91.000 TRP 262 1.040 3.390 42.141 55.855 -99.200 -91.000 TRP6 262 1.020 2.890 41.171 57.962 -99.200 -91.000 PHE 267 1.000 3.177 46.435 58.453 -99.200 -91.000 TRP 278 1.040 12.396 37.123 57.678 -99.200 -91.000 TRP6 278 1.020 12.008 35.186 58.999 -99.200 -91.000 PHE 279 1.000 18.482 39.790 50.789 -99.200 -91.000 PHE 289 1.000 1.181 37.367 63.558 -99.200 -91.000 TYR 290 0.840 6.965 30.498 64.514 -99.200 -91.000 PHE 292 1.000 8.222 31.639 69.256 -99.200 -91.000 TYR 298 0.840 11.775 28.160 69.136 -99.200 -91.000 TYR 300 0.840 15.274 37.032 64.492 -99.200 -91.000 HIS 303 0.900 20.693 29.734 58.033 -99.200 -91.000 PHE 309 1.000 24.983 30.247 65.190 -99.200 -91.000 HIS 316 0.900 20.861 32.370 72.628 -99.200 -91.000 PHE 317 1.000 12.159 35.224 69.992 -99.200 -91.000 TRP 323 1.040 8.596 17.804 72.141 -99.200 -91.000 TRP6 323 1.020 10.122 19.289 71.114 -99.200 -91.000