============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 5 0.840 17.119 -4.519 5.688 -99.200 -91.000 TYR 20 0.840 11.926 -5.431 9.476 -99.200 -91.000 PHE 22 1.000 17.673 -10.781 18.461 -99.200 -91.000 TRP 27 1.040 26.486 3.658 23.703 -99.200 -91.000 TRP6 27 1.020 25.445 4.776 25.508 -99.200 -91.000 TYR 33 0.840 20.331 14.977 36.004 -99.200 -91.000 TRP 40 1.040 25.183 13.541 37.990 -99.200 -91.000 TRP6 40 1.020 24.339 11.438 37.287 -99.200 -91.000 PHE 49 1.000 18.529 -7.163 23.414 -99.200 -91.000 TYR 54 0.840 8.470 -0.649 17.614 -99.200 -91.000 HIS 56 0.900 12.854 -2.671 21.838 -99.200 -91.000 PHE 62 1.000 22.474 5.458 35.538 -99.200 -91.000 PHE 65 1.000 28.923 11.591 42.004 -99.200 -91.000 PHE 77 1.000 22.746 5.696 21.641 -99.200 -91.000 PHE 94 1.000 10.794 10.137 17.464 -99.200 -91.000 HIS 95 0.900 14.315 11.281 9.965 -99.200 -91.000 TYR 101 0.840 8.043 6.338 21.111 -99.200 -91.000 TYR 118 0.840 14.662 3.238 46.444 -99.200 -91.000 TRP 124 1.040 9.509 13.159 27.822 -99.200 -91.000 TRP6 124 1.020 8.575 14.027 29.812 -99.200 -91.000 TRP 128 1.040 19.726 10.185 17.571 -99.200 -91.000 TRP6 128 1.020 20.553 11.073 15.542 -99.200 -91.000 HIS 145 0.900 19.190 14.433 45.403 -99.200 -91.000 TRP 150 1.040 20.118 7.761 38.166 -99.200 -91.000 TRP6 150 1.020 18.791 8.952 36.612 -99.200 -91.000 TYR 157 0.840 15.093 5.683 19.861 -99.200 -91.000 PHE 161 1.000 11.393 3.773 7.095 -99.200 -91.000