============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 25 rings ring int. center anis. iso. TYR 7 0.840 -27.727 -15.619 75.050 -99.200 -91.000 HIS 15 0.900 -39.124 -14.222 54.050 -99.200 -91.000 PHE 24 1.000 -31.883 12.149 48.447 -99.200 -91.000 PHE 28 1.000 -28.237 1.033 57.775 -99.200 -91.000 PHE 36 1.000 -36.165 -5.222 65.063 -99.200 -91.000 TYR 41 0.840 -33.436 -19.905 69.918 -99.200 -91.000 HIS 61 0.900 -21.688 5.817 59.441 -99.200 -91.000 PHE 70 1.000 -30.103 1.148 63.184 -99.200 -91.000 TYR 74 0.840 -36.575 -3.976 69.994 -99.200 -91.000 PHE 76 1.000 -37.267 -7.759 73.529 -99.200 -91.000 TYR 77 0.840 -45.099 -10.078 70.252 -99.200 -91.000 PHE 78 1.000 -40.524 -13.296 76.790 -99.200 -91.000 TYR 81 0.840 -44.876 -18.934 80.167 -99.200 -91.000 HIS 83 0.900 -47.061 -7.392 74.298 -99.200 -91.000 TYR 90 0.840 -30.499 -2.428 67.813 -99.200 -91.000 TYR 93 0.840 -21.839 3.494 68.616 -99.200 -91.000 PHE 97 1.000 -28.637 -0.398 81.353 -99.200 -91.000 PHE 107 1.000 -43.385 -11.355 80.421 -99.200 -91.000 TYR 111 0.840 -42.641 -0.179 87.578 -99.200 -91.000 TYR 121 0.840 -25.303 -4.218 63.922 -99.200 -91.000 PHE 126 1.000 -27.586 -12.205 78.073 -99.200 -91.000 TYR 127 0.840 -32.372 -7.567 73.622 -99.200 -91.000 PHE 129 1.000 -36.647 -7.609 78.406 -99.200 -91.000 TYR 130 0.840 -31.159 -5.297 85.011 -99.200 -91.000 TYR 171 0.840 -42.495 -22.854 68.494 -99.200 -91.000