============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 8 1.000 66.730 76.676 47.375 -99.200 -91.000 PHE 13 1.000 76.109 80.737 40.375 -99.200 -91.000 TYR 17 0.840 74.747 73.968 46.825 -99.200 -91.000 TYR 21 0.840 82.351 76.648 44.213 -99.200 -91.000 TYR 27 0.840 73.672 89.641 33.712 -99.200 -91.000 PHE 29 1.000 74.706 78.534 35.341 -99.200 -91.000 TYR 36 0.840 72.871 74.708 24.825 -99.200 -91.000 TYR 48 0.840 58.773 68.236 41.769 -99.200 -91.000 PHE 51 1.000 55.496 72.869 40.926 -99.200 -91.000 HIS 54 0.900 64.619 68.562 35.232 -99.200 -91.000 PHE 56 1.000 68.584 66.932 31.715 -99.200 -91.000 PHE 60 1.000 77.551 77.485 31.075 -99.200 -91.000 TYR 77 0.840 87.285 56.879 52.323 -99.200 -91.000 TYR 82 0.840 69.658 65.612 62.387 -99.200 -91.000 TRP 96 1.040 79.116 65.911 54.002 -99.200 -91.000 TRP6 96 1.020 77.744 66.242 55.929 -99.200 -91.000 PHE 97 1.000 81.244 59.155 49.417 -99.200 -91.000 TYR 112 0.840 75.507 65.579 28.722 -99.200 -91.000 TYR 118 0.840 60.346 74.483 41.293 -99.200 -91.000 TRP 145 1.040 59.047 78.295 31.903 -99.200 -91.000 TRP6 145 1.020 58.090 76.561 33.181 -99.200 -91.000 TYR 146 0.840 62.136 84.056 37.552 -99.200 -91.000 PHE 157 1.000 69.836 59.449 32.373 -99.200 -91.000 TYR 185 0.840 60.402 58.538 50.427 -99.200 -91.000 PHE 191 1.000 70.691 58.225 41.731 -99.200 -91.000 TRP 192 1.040 69.317 60.433 45.745 -99.200 -91.000 TRP6 192 1.020 71.437 61.526 45.623 -99.200 -91.000 HIS 195 0.900 73.674 56.077 42.817 -99.200 -91.000