============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 29.343 48.581 179.992 -99.200 -91.000 PHE 19 1.000 16.718 52.165 151.024 -99.200 -91.000 TRP 27 1.040 21.369 41.770 149.264 -99.200 -91.000 TRP6 27 1.020 23.298 40.536 148.625 -99.200 -91.000 HIS 29 0.900 16.707 37.435 144.690 -99.200 -91.000 PHE 35 1.000 9.390 35.853 140.102 -99.200 -91.000 PHE 36 1.000 10.710 36.447 147.866 -99.200 -91.000 HIS 46 0.900 13.288 54.679 139.637 -99.200 -91.000 PHE 56 1.000 22.051 45.531 134.518 -99.200 -91.000 PHE 61 1.000 14.424 41.213 142.231 -99.200 -91.000 HIS 78 0.900 -8.387 39.935 143.398 -99.200 -91.000 PHE 99 1.000 7.370 33.664 149.591 -99.200 -91.000 HIS 124 0.900 -0.750 28.395 138.642 -99.200 -91.000 HIS 127 0.900 6.177 22.286 139.814 -99.200 -91.000 TYR 131 0.840 3.979 30.236 151.109 -99.200 -91.000 TYR 133 0.840 6.304 39.094 151.872 -99.200 -91.000 PHE 142 1.000 17.119 47.591 154.521 -99.200 -91.000 PHE 209 1.000 10.670 31.148 168.191 -99.200 -91.000 PHE 215 1.000 15.883 41.718 160.198 -99.200 -91.000 PHE 235 1.000 18.789 39.500 168.052 -99.200 -91.000 PHE 237 1.000 24.804 41.481 164.649 -99.200 -91.000 TRP 245 1.040 22.106 33.750 168.819 -99.200 -91.000 TRP6 245 1.020 22.327 31.725 167.624 -99.200 -91.000 TYR 253 0.840 18.282 22.150 172.260 -99.200 -91.000 PHE 260 1.000 29.225 28.265 175.417 -99.200 -91.000 HIS 278 0.900 39.384 46.266 162.113 -99.200 -91.000 PHE 288 1.000 22.698 60.644 165.603 -99.200 -91.000 PHE 289 1.000 20.713 60.338 161.134 -99.200 -91.000 PHE 301 1.000 31.443 44.257 167.367 -99.200 -91.000 PHE 316 1.000 8.309 47.017 166.491 -99.200 -91.000 HIS 318 0.900 9.047 41.958 170.222 -99.200 -91.000 HIS 347 0.900 24.739 64.209 162.581 -99.200 -91.000 HIS 370 0.900 28.515 66.163 160.985 -99.200 -91.000 TRP 374 1.040 27.825 52.121 152.297 -99.200 -91.000 TRP6 374 1.020 26.582 50.459 151.141 -99.200 -91.000 PHE 380 1.000 25.602 44.758 150.639 -99.200 -91.000 HIS 384 0.900 23.967 38.253 161.730 -99.200 -91.000 PHE 385 1.000 26.394 32.535 164.638 -99.200 -91.000 TYR 386 0.840 32.503 32.635 168.571 -99.200 -91.000 PHE 396 1.000 29.824 49.700 162.229 -99.200 -91.000