============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 3 1.000 -45.894 -10.660 1.686 -99.200 -91.000 TYR 4 0.840 -44.977 -16.793 8.498 -99.200 -91.000 PHE 13 1.000 -44.186 -11.112 8.581 -99.200 -91.000 PHE 20 1.000 -43.690 -0.001 14.902 -99.200 -91.000 TYR 21 0.840 -43.690 -2.391 19.919 -99.200 -91.000 TYR 34 0.840 -46.796 1.917 19.853 -99.200 -91.000 PHE 49 1.000 -53.092 -7.770 12.104 -99.200 -91.000 TYR 53 0.840 -53.179 -8.467 6.226 -99.200 -91.000 TRP 54 1.040 -48.229 -9.383 5.732 -99.200 -91.000 TRP6 54 1.020 -48.838 -8.643 3.582 -99.200 -91.000 TYR 60 0.840 -54.454 -10.724 16.469 -99.200 -91.000 HIS 66 0.900 -63.662 -12.399 13.439 -99.200 -91.000 HIS 73 0.900 -54.688 0.279 16.419 -99.200 -91.000 PHE 76 1.000 -53.642 3.055 22.490 -99.200 -91.000 PHE 86 1.000 -47.650 1.879 12.334 -99.200 -91.000 HIS 91 0.900 -42.042 3.551 4.485 -99.200 -91.000 HIS 106 0.900 -42.819 -11.592 -2.120 -99.200 -91.000 TYR 113 0.840 -51.655 -4.578 6.034 -99.200 -91.000 HIS 119 0.900 -55.543 8.294 5.658 -99.200 -91.000 PHE 126 1.000 -57.191 18.244 18.715 -99.200 -91.000