============================================================================= 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 -101.837 4.074 15.154 -99.200 -91.000 TYR 7 0.840 -113.089 9.647 9.438 -99.200 -91.000 TRP 12 1.040 -110.509 4.925 9.383 -99.200 -91.000 TRP6 12 1.020 -109.641 6.449 10.965 -99.200 -91.000 TYR 22 0.840 -88.629 5.776 16.654 -99.200 -91.000 TYR 43 0.840 -110.199 13.696 -1.249 -99.200 -91.000 TYR 45 0.840 -107.198 22.577 4.592 -99.200 -91.000 TRP 55 1.040 -121.403 20.078 10.706 -99.200 -91.000 TRP6 55 1.020 -122.070 18.105 11.818 -99.200 -91.000 TYR 60 0.840 -127.693 25.963 16.416 -99.200 -91.000 TYR 66 0.840 -124.232 12.735 13.529 -99.200 -91.000 HIS 68 0.900 -124.547 15.452 24.336 -99.200 -91.000 TYR 93 0.840 -103.206 3.696 32.343 -99.200 -91.000 TYR 109 0.840 -120.167 23.282 29.925 -99.200 -91.000 PHE 127 1.000 -127.548 55.530 16.683 -99.200 -91.000 PHE 152 1.000 -95.025 18.465 24.474 -99.200 -91.000 TYR 154 0.840 -102.986 19.275 28.953 -99.200 -91.000 PHE 175 1.000 -106.611 16.722 15.966 -99.200 -91.000 PHE 192 1.000 -114.539 14.009 16.866 -99.200 -91.000 PHE 202 1.000 -112.360 14.547 13.369 -99.200 -91.000 TYR 215 0.840 -100.576 23.685 0.673 -99.200 -91.000 HIS 219 0.900 -106.009 25.174 0.719 -99.200 -91.000 PHE 224 1.000 -111.258 30.871 14.738 -99.200 -91.000 PHE 227 1.000 -100.257 26.957 17.258 -99.200 -91.000 PHE 276 1.000 -91.226 21.330 40.499 -99.200 -91.000 TYR 278 0.840 -96.760 16.121 30.230 -99.200 -91.000 TYR 332 0.840 -84.993 26.404 26.289 -99.200 -91.000 PHE 363 1.000 -81.002 26.437 39.597 -99.200 -91.000 TRP 374 1.040 -86.278 37.811 32.613 -99.200 -91.000 TRP6 374 1.020 -87.930 39.227 33.537 -99.200 -91.000 PHE 378 1.000 -94.239 23.500 27.743 -99.200 -91.000 TYR 402 0.840 -93.587 33.633 27.423 -99.200 -91.000 PHE 409 1.000 -100.494 30.812 45.850 -99.200 -91.000 PHE 413 1.000 -109.683 35.642 48.594 -99.200 -91.000 PHE 417 1.000 -111.826 40.190 42.932 -99.200 -91.000 HIS 429 0.900 -106.663 30.236 38.416 -99.200 -91.000 PHE 441 1.000 -114.446 28.902 36.226 -99.200 -91.000 PHE 443 1.000 -106.104 28.821 28.672 -99.200 -91.000 TYR 458 0.840 -115.893 33.015 27.764 -99.200 -91.000 PHE 471 1.000 -138.463 41.998 9.973 -99.200 -91.000