============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. TYR 4 0.840 55.087 -25.444 -4.215 -99.200 -91.000 PHE 13 1.000 52.229 -24.275 6.766 -99.200 -91.000 TYR 14 0.840 58.660 -27.999 8.402 -99.200 -91.000 HIS 15 0.900 57.857 -22.657 2.517 -99.200 -91.000 TYR 16 0.840 55.134 -21.093 9.238 -99.200 -91.000 TYR 17 0.840 58.410 -23.900 11.582 -99.200 -91.000 PHE 34 1.000 55.075 -29.247 32.409 -99.200 -91.000 TRP 39 1.040 52.486 -24.160 13.602 -99.200 -91.000 TRP6 39 1.020 50.865 -25.460 12.471 -99.200 -91.000 PHE 50 1.000 51.606 -16.866 23.704 -99.200 -91.000 PHE 59 1.000 46.953 -37.119 28.201 -99.200 -91.000 HIS 61 0.900 41.948 -30.556 21.107 -99.200 -91.000 PHE 70 1.000 46.602 -22.010 27.645 -99.200 -91.000 PHE 74 1.000 56.789 -17.798 26.204 -99.200 -91.000 HIS 75 0.900 61.036 -23.686 29.657 -99.200 -91.000 PHE 77 1.000 71.003 -23.949 22.008 -99.200 -91.000 HIS 84 0.900 63.431 -33.309 19.699 -99.200 -91.000 TRP 85 1.040 61.856 -37.337 26.854 -99.200 -91.000 TRP6 85 1.020 60.097 -37.162 28.426 -99.200 -91.000 HIS 89 0.900 59.640 -39.491 24.265 -99.200 -91.000 HIS 101 0.900 55.405 -29.984 37.912 -99.200 -91.000 PHE 102 1.000 56.884 -21.997 39.050 -99.200 -91.000 HIS 105 0.900 51.037 -16.001 42.042 -99.200 -91.000 TYR 115 0.840 63.395 -17.055 27.845 -99.200 -91.000 TYR 118 0.840 53.065 -14.246 28.580 -99.200 -91.000 HIS 126 0.900 37.343 -18.967 17.560 -99.200 -91.000 PHE 128 1.000 41.252 -20.415 13.098 -99.200 -91.000 HIS 131 0.900 47.958 -28.405 14.150 -99.200 -91.000 PHE 134 1.000 43.022 -25.643 22.707 -99.200 -91.000 TRP 142 1.040 54.605 -17.073 37.389 -99.200 -91.000 TRP6 142 1.020 55.345 -17.428 39.605 -99.200 -91.000 TYR 162 0.840 60.838 -27.524 16.217 -99.200 -91.000 TYR 163 0.840 66.533 -22.789 12.684 -99.200 -91.000 TYR 168 0.840 64.568 -28.301 19.092 -99.200 -91.000 PHE 176 1.000 71.703 -6.717 12.610 -99.200 -91.000