============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 3 0.900 50.553 -83.256 -41.093 -99.200 -91.000 TYR 16 0.840 55.171-102.413 -37.228 -99.200 -91.000 PHE 20 1.000 58.613-105.017 -34.096 -99.200 -91.000 TYR 29 0.840 55.017 -82.889 -18.992 -99.200 -91.000 HIS 43 0.900 48.394 -94.205 -33.317 -99.200 -91.000 PHE 44 1.000 53.051 -94.791 -28.932 -99.200 -91.000 PHE 65 1.000 63.892 -96.050 -1.260 -99.200 -91.000 PHE 67 1.000 59.373 -96.643 -4.818 -99.200 -91.000 PHE 76 1.000 47.777 -93.869 -19.596 -99.200 -91.000 PHE 86 1.000 62.784 -98.876 -12.430 -99.200 -91.000 HIS 87 0.900 66.165 -95.469 -19.049 -99.200 -91.000 TRP 91 1.040 72.901 -93.468 -17.267 -99.200 -91.000 TRP6 91 1.020 71.403 -91.673 -17.809 -99.200 -91.000 HIS 92 0.900 77.329 -92.484 -17.175 -99.200 -91.000 TRP 98 1.040 71.816 -90.747 -1.791 -99.200 -91.000 TRP6 98 1.020 71.936 -93.088 -1.397 -99.200 -91.000 PHE 99 1.000 72.845 -94.986 -4.921 -99.200 -91.000 PHE 100 1.000 78.177 -93.092 -7.104 -99.200 -91.000 HIS 131 0.900 67.994 -96.951 -6.290 -99.200 -91.000 TYR 139 0.840 57.066 -99.508 -9.055 -99.200 -91.000 TYR 145 0.840 59.405-106.964 -21.615 -99.200 -91.000 TRP 146 1.040 62.113-105.083 -14.017 -99.200 -91.000 TRP6 146 1.020 61.943-103.588 -12.172 -99.200 -91.000 TRP 164 1.040 77.104 -96.433 -10.514 -99.200 -91.000 TRP6 164 1.020 76.083 -97.219 -8.532 -99.200 -91.000 TYR 165 0.840 85.599-100.675 -14.049 -99.200 -91.000 TYR 172 0.840 78.916-100.673 -12.243 -99.200 -91.000 PHE 177 1.000 72.142-107.216 -15.592 -99.200 -91.000 TYR 183 0.840 66.015-108.529 -2.720 -99.200 -91.000 TYR 191 0.840 65.419-106.831 -21.807 -99.200 -91.000 TYR 195 0.840 76.022 -93.756 -25.857 -99.200 -91.000 TYR 207 0.840 79.457-111.728 -28.803 -99.200 -91.000 HIS 225 0.900 70.537-103.778 -29.510 -99.200 -91.000 HIS 228 0.900 68.467 -91.981 -27.855 -99.200 -91.000 TRP 233 1.040 76.567 -93.874 -37.721 -99.200 -91.000 TRP6 233 1.020 75.793 -93.454 -35.535 -99.200 -91.000 PHE 246 1.000 75.030-107.562 -28.374 -99.200 -91.000 TYR 263 0.840 68.498 -81.054 -37.102 -99.200 -91.000 TRP 265 1.040 77.680 -86.341 -32.148 -99.200 -91.000 TRP6 265 1.020 75.977 -85.682 -30.646 -99.200 -91.000 TYR 270 0.840 66.691 -76.537 -41.291 -99.200 -91.000 TYR 273 0.840 57.960 -80.209 -36.878 -99.200 -91.000 PHE 281 1.000 59.417 -82.802 -41.671 -99.200 -91.000 TYR 288 0.840 61.075 -93.419 -38.081 -99.200 -91.000 PHE 292 1.000 59.472 -99.157 -36.937 -99.200 -91.000 TYR 295 0.840 63.920-101.678 -35.768 -99.200 -91.000 PHE 307 1.000 58.586 -95.008 -32.654 -99.200 -91.000 TRP 308 1.040 64.134 -91.074 -24.440 -99.200 -91.000 TRP6 308 1.020 63.819 -92.886 -22.949 -99.200 -91.000 HIS 314 0.900 58.947 -84.769 -24.213 -99.200 -91.000 TRP 316 1.040 66.676 -87.451 -26.131 -99.200 -91.000 TRP6 316 1.020 69.017 -87.608 -25.675 -99.200 -91.000 TYR 324 0.840 76.524 -75.128 -35.027 -99.200 -91.000 TYR 325 0.840 71.058 -68.195 -35.275 -99.200 -91.000 TYR 339 0.840 79.831 -72.037 -35.972 -99.200 -91.000 PHE 352 1.000 59.552 -88.811 -30.854 -99.200 -91.000 PHE 354 1.000 52.086 -91.394 -34.184 -99.200 -91.000 TYR 358 0.840 49.785 -84.281 -29.760 -99.200 -91.000 TYR 364 0.840 50.392 -93.511 -39.376 -99.200 -91.000 TRP 365 1.040 50.369 -91.493 -44.205 -99.200 -91.000 TRP6 365 1.020 48.377 -92.734 -43.870 -99.200 -91.000 HIS 370 0.900 50.566-104.571 -43.873 -99.200 -91.000