============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TYR 13 0.840 -4.855 26.620 139.867 -99.200 -91.000 TYR 48 0.840 -2.068 36.026 140.895 -99.200 -91.000 TRP 61 1.040 4.261 44.307 136.724 -99.200 -91.000 TRP6 61 1.020 3.251 42.285 136.056 -99.200 -91.000 PHE 62 1.000 -1.958 47.597 134.110 -99.200 -91.000 PHE 71 1.000 -0.456 39.057 127.142 -99.200 -91.000 PHE 94 1.000 -4.985 40.273 124.984 -99.200 -91.000 TYR 111 0.840 -10.531 49.733 128.088 -99.200 -91.000 PHE 115 1.000 -7.236 35.452 122.129 -99.200 -91.000 TYR 117 0.840 -11.241 26.390 129.056 -99.200 -91.000 PHE 119 1.000 -15.533 28.007 135.050 -99.200 -91.000 TYR 135 0.840 -22.306 7.406 126.174 -99.200 -91.000 TRP 138 1.040 -25.381 13.645 129.982 -99.200 -91.000 TRP6 138 1.020 -23.966 15.519 129.836 -99.200 -91.000 PHE 139 1.000 -26.114 10.583 140.106 -99.200 -91.000 TYR 146 0.840 -16.170 23.494 138.730 -99.200 -91.000 PHE 170 1.000 -17.528 15.867 145.094 -99.200 -91.000 PHE 172 1.000 -12.003 22.023 151.222 -99.200 -91.000 PHE 177 1.000 -15.025 11.582 146.212 -99.200 -91.000 TYR 180 0.840 -20.959 11.585 147.915 -99.200 -91.000 PHE 210 1.000 -18.763 1.516 144.341 -99.200 -91.000 TYR 240 0.840 -10.761 14.399 131.450 -99.200 -91.000 PHE 244 1.000 -2.179 23.311 122.816 -99.200 -91.000 TYR 245 0.840 -3.389 15.823 123.819 -99.200 -91.000 TRP 246 1.040 1.050 16.793 124.394 -99.200 -91.000 TRP6 246 1.020 2.417 15.489 122.946 -99.200 -91.000 PHE 254 1.000 2.755 26.626 121.777 -99.200 -91.000 PHE 258 1.000 5.478 25.098 127.419 -99.200 -91.000 TYR 259 0.840 10.195 18.054 126.729 -99.200 -91.000 TYR 272 0.840 2.240 30.891 120.363 -99.200 -91.000 TYR 278 0.840 -0.880 43.898 123.109 -99.200 -91.000 PHE 294 1.000 -12.477 45.077 122.439 -99.200 -91.000 TYR 296 0.840 -5.750 44.395 113.346 -99.200 -91.000 PHE 302 1.000 -8.272 36.558 116.791 -99.200 -91.000 HIS 309 0.900 -12.260 26.541 111.850 -99.200 -91.000 TYR 322 0.840 -9.987 21.260 119.380 -99.200 -91.000 TRP 336 1.040 4.578 15.584 129.621 -99.200 -91.000 TRP6 336 1.020 3.242 16.662 131.216 -99.200 -91.000 TYR 338 0.840 -0.353 11.821 130.501 -99.200 -91.000 TYR 339 0.840 -6.201 14.458 127.703 -99.200 -91.000 PHE 351 1.000 -16.226 29.573 123.096 -99.200 -91.000