============================================================================= 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. TYR 4 0.840 -101.712 4.201 15.144 -99.200 -91.000 TYR 7 0.840 -113.095 9.628 9.444 -99.200 -91.000 TRP 12 1.040 -110.481 5.095 9.335 -99.200 -91.000 TRP6 12 1.020 -109.561 6.513 10.991 -99.200 -91.000 TYR 22 0.840 -88.695 5.705 16.687 -99.200 -91.000 TYR 43 0.840 -110.132 13.803 -1.245 -99.200 -91.000 TYR 45 0.840 -107.133 22.676 4.548 -99.200 -91.000 TRP 55 1.040 -121.368 20.014 10.872 -99.200 -91.000 TRP6 55 1.020 -121.996 18.030 11.986 -99.200 -91.000 TYR 60 0.840 -127.683 25.960 16.569 -99.200 -91.000 TYR 66 0.840 -124.201 12.979 13.555 -99.200 -91.000 HIS 68 0.900 -124.452 15.392 24.387 -99.200 -91.000 TYR 93 0.840 -103.163 3.701 32.409 -99.200 -91.000 TYR 109 0.840 -120.172 23.345 30.144 -99.200 -91.000 PHE 127 1.000 -127.550 55.818 16.721 -99.200 -91.000 PHE 152 1.000 -94.918 18.655 24.649 -99.200 -91.000 TYR 154 0.840 -103.011 19.196 29.069 -99.200 -91.000 PHE 175 1.000 -106.581 16.828 16.058 -99.200 -91.000 PHE 192 1.000 -114.598 14.126 16.867 -99.200 -91.000 PHE 202 1.000 -112.300 14.702 13.435 -99.200 -91.000 TYR 215 0.840 -100.501 23.616 0.695 -99.200 -91.000 HIS 219 0.900 -105.925 25.191 0.821 -99.200 -91.000 PHE 224 1.000 -111.198 30.948 14.777 -99.200 -91.000 PHE 227 1.000 -100.080 27.071 17.336 -99.200 -91.000 PHE 276 1.000 -91.143 21.350 40.757 -99.200 -91.000 TYR 278 0.840 -96.773 16.187 30.345 -99.200 -91.000 TYR 332 0.840 -85.031 26.502 26.346 -99.200 -91.000 PHE 363 1.000 -81.045 26.535 39.843 -99.200 -91.000 TRP 374 1.040 -86.238 37.990 32.888 -99.200 -91.000 TRP6 374 1.020 -88.030 39.342 33.666 -99.200 -91.000 PHE 378 1.000 -94.308 23.614 27.789 -99.200 -91.000 TYR 402 0.840 -93.571 33.687 27.600 -99.200 -91.000 PHE 409 1.000 -100.539 30.848 46.179 -99.200 -91.000 PHE 413 1.000 -109.900 35.961 48.652 -99.200 -91.000 PHE 417 1.000 -111.824 40.339 43.036 -99.200 -91.000 HIS 429 0.900 -106.683 30.245 38.560 -99.200 -91.000 PHE 441 1.000 -114.411 28.913 36.435 -99.200 -91.000 PHE 443 1.000 -105.992 28.875 28.788 -99.200 -91.000 TYR 458 0.840 -115.868 33.014 27.949 -99.200 -91.000 PHE 471 1.000 -138.610 42.319 10.038 -99.200 -91.000