============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TRP 2 1.040 19.953 82.130 -58.330 -99.200 -91.000 TRP6 2 1.020 19.108 83.303 -56.476 -99.200 -91.000 HIS 4 0.900 28.478 67.169 -58.766 -99.200 -91.000 PHE 76 1.000 10.103 49.122 -94.786 -99.200 -91.000 TYR 78 0.840 10.963 59.452 -99.836 -99.200 -91.000 TYR 94 0.840 19.508 55.629 -84.883 -99.200 -91.000 TYR 99 0.840 25.426 48.723 -94.031 -99.200 -91.000 PHE 102 1.000 27.319 45.056 -89.089 -99.200 -91.000 TYR 146 0.840 22.174 64.993 -64.975 -99.200 -91.000 TRP 162 1.040 30.628 54.900 -72.823 -99.200 -91.000 TRP6 162 1.020 31.554 55.116 -74.995 -99.200 -91.000 PHE 165 1.000 31.058 49.486 -67.390 -99.200 -91.000 HIS 167 0.900 36.907 48.318 -75.866 -99.200 -91.000 HIS 180 0.900 21.377 54.047 -73.524 -99.200 -91.000 TYR 181 0.840 23.489 56.692 -65.139 -99.200 -91.000 PHE 183 1.000 27.335 58.541 -75.512 -99.200 -91.000 HIS 187 0.900 22.793 65.846 -73.292 -99.200 -91.000 PHE 189 1.000 28.591 63.572 -79.402 -99.200 -91.000 TYR 204 0.840 29.362 46.250 -74.635 -99.200 -91.000 TYR 217 0.840 11.859 48.805 -83.648 -99.200 -91.000 TYR 221 0.840 10.645 47.295 -72.617 -99.200 -91.000 HIS 225 0.900 7.384 49.604 -71.866 -99.200 -91.000 TYR 229 0.840 15.697 55.718 -72.469 -99.200 -91.000 TYR 230 0.840 13.760 60.273 -71.721 -99.200 -91.000 TRP 242 1.040 24.196 52.217 -60.224 -99.200 -91.000 TRP6 242 1.020 25.015 52.777 -62.371 -99.200 -91.000 TRP 245 1.040 19.874 51.922 -66.499 -99.200 -91.000 TRP6 245 1.020 18.556 52.915 -68.185 -99.200 -91.000 PHE 248 1.000 13.062 50.665 -69.331 -99.200 -91.000 TRP 259 1.040 7.795 43.161 -82.284 -99.200 -91.000 TRP6 259 1.020 8.869 43.957 -84.223 -99.200 -91.000 HIS 262 0.900 7.823 35.774 -81.075 -99.200 -91.000 HIS 273 0.900 1.053 32.292 -99.786 -99.200 -91.000 TYR 277 0.840 0.073 34.399-106.280 -99.200 -91.000 TYR 286 0.840 10.683 30.532-108.277 -99.200 -91.000 HIS 288 0.900 17.042 32.279-103.290 -99.200 -91.000 PHE 295 1.000 9.449 38.518 -99.547 -99.200 -91.000 TYR 299 0.840 7.640 52.008-101.050 -99.200 -91.000 TYR 319 0.840 12.122 38.511-115.766 -99.200 -91.000 PHE 340 1.000 7.695 48.445-111.096 -99.200 -91.000 HIS 342 0.900 6.854 41.877-101.490 -99.200 -91.000 PHE 345 1.000 9.138 42.014 -96.500 -99.200 -91.000 PHE 355 1.000 1.803 35.338 -94.534 -99.200 -91.000 TYR 358 0.840 0.558 37.126-102.708 -99.200 -91.000