============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. TYR 9 0.840 25.409 60.575-108.145 -99.200 -91.000 TYR 19 0.840 46.337 66.485-105.634 -99.200 -91.000 PHE 22 1.000 58.568 60.629 -95.147 -99.200 -91.000 HIS 25 0.900 67.512 65.158 -91.645 -99.200 -91.000 TYR 31 0.840 72.783 66.062 -94.439 -99.200 -91.000 TYR 35 0.840 72.721 71.835 -96.685 -99.200 -91.000 PHE 47 1.000 67.926 75.312 -98.343 -99.200 -91.000 TYR 65 0.840 62.641 67.846 -91.714 -99.200 -91.000 PHE 70 1.000 66.777 61.349 -88.762 -99.200 -91.000 TYR 74 0.840 66.012 64.957 -85.439 -99.200 -91.000 PHE 75 1.000 67.724 61.885 -78.390 -99.200 -91.000 TRP 76 1.040 63.402 68.961 -80.238 -99.200 -91.000 TRP6 76 1.020 63.847 71.248 -79.843 -99.200 -91.000 TRP 94 1.040 66.521 55.011 -92.616 -99.200 -91.000 TRP6 94 1.020 65.365 53.315 -93.788 -99.200 -91.000 PHE 107 1.000 62.192 69.750 -94.920 -99.200 -91.000 TRP 110 1.040 64.496 72.763 -99.987 -99.200 -91.000 TRP6 110 1.020 62.924 71.008-100.192 -99.200 -91.000 TYR 138 0.840 63.544 75.956 -81.900 -99.200 -91.000 HIS 141 0.900 54.468 81.043 -76.551 -99.200 -91.000 TYR 147 0.840 62.714 74.033 -74.654 -99.200 -91.000 HIS 154 0.900 68.728 78.020 -81.513 -99.200 -91.000 HIS 160 0.900 60.297 77.618 -88.193 -99.200 -91.000 TRP 165 1.040 52.849 70.231 -84.980 -99.200 -91.000 TRP6 165 1.020 55.083 70.472 -84.241 -99.200 -91.000 TRP 175 1.040 60.584 48.119 -89.279 -99.200 -91.000 TRP6 175 1.020 58.744 46.714 -89.768 -99.200 -91.000 HIS 179 0.900 57.285 46.702 -80.934 -99.200 -91.000 TYR 185 0.840 51.198 55.805 -81.455 -99.200 -91.000 PHE 218 1.000 44.769 47.340 -91.463 -99.200 -91.000 TRP 221 1.040 48.766 50.912 -84.424 -99.200 -91.000 TRP6 221 1.020 50.623 50.402 -83.047 -99.200 -91.000 TYR 228 0.840 44.383 53.361 -74.763 -99.200 -91.000 TYR 230 0.840 36.903 59.570 -82.396 -99.200 -91.000 TYR 232 0.840 42.174 64.844 -75.450 -99.200 -91.000 TYR 235 0.840 44.157 65.185 -90.461 -99.200 -91.000 HIS 239 0.900 52.696 55.038 -92.688 -99.200 -91.000 TYR 241 0.840 56.329 52.591 -98.850 -99.200 -91.000 TYR 242 0.840 49.959 48.519-103.616 -99.200 -91.000 PHE 252 1.000 53.677 47.285-110.223 -99.200 -91.000 PHE 262 1.000 46.038 50.306 -95.840 -99.200 -91.000 TYR 272 0.840 34.454 49.104 -83.153 -99.200 -91.000 TYR 284 0.840 37.640 64.619 -91.744 -99.200 -91.000 PHE 287 1.000 47.380 55.480 -98.165 -99.200 -91.000 TRP 290 1.040 50.724 58.447-101.835 -99.200 -91.000 TRP6 290 1.020 50.943 58.372-104.189 -99.200 -91.000 TRP 293 1.040 61.211 50.713-101.243 -99.200 -91.000 TRP6 293 1.020 60.855 50.991 -98.921 -99.200 -91.000 TYR 294 0.840 59.413 46.810-108.349 -99.200 -91.000 HIS 295 0.900 62.166 49.341-110.214 -99.200 -91.000 TRP 309 1.040 77.907 52.582 -87.989 -99.200 -91.000 TRP6 309 1.020 75.748 53.163 -87.289 -99.200 -91.000 TYR 320 0.840 59.947 54.933-108.487 -99.200 -91.000 PHE 322 1.000 53.929 53.716-119.640 -99.200 -91.000 HIS 338 0.900 37.999 55.475-101.062 -99.200 -91.000 TRP 367 1.040 67.899 62.070-113.220 -99.200 -91.000 TRP6 367 1.020 66.615 60.084-113.291 -99.200 -91.000 PHE 372 1.000 58.118 66.090-111.967 -99.200 -91.000 TYR 373 0.840 56.747 64.472-116.838 -99.200 -91.000 PHE 375 1.000 52.381 64.159-106.220 -99.200 -91.000 HIS 377 0.900 50.069 65.034-116.583 -99.200 -91.000 TYR 381 0.840 46.191 69.848-115.880 -99.200 -91.000 HIS 396 0.900 42.139 43.360-116.332 -99.200 -91.000 HIS 401 0.900 45.098 41.528-107.321 -99.200 -91.000 TYR 413 0.840 31.816 71.835-111.839 -99.200 -91.000 PHE 423 1.000 43.319 63.811-112.942 -99.200 -91.000 HIS 430 0.900 47.615 41.686-122.745 -99.200 -91.000 HIS 447 0.900 43.006 62.047-124.122 -99.200 -91.000 HIS 452 0.900 58.531 53.941-124.083 -99.200 -91.000 TYR 467 0.840 58.555 63.009-124.100 -99.200 -91.000 PHE 476 1.000 32.100 67.739-124.798 -99.200 -91.000 TRP 490 1.040 48.443 60.271-116.182 -99.200 -91.000 TRP6 490 1.020 47.173 60.154-114.199 -99.200 -91.000