============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TRP 3 1.040 11.861 19.428 1.988 -99.200 -91.000 TRP6 3 1.020 12.157 17.083 1.867 -99.200 -91.000 PHE 15 1.000 19.265 13.249 -6.133 -99.200 -91.000 HIS 17 0.900 29.895 13.693 -3.046 -99.200 -91.000 TYR 20 0.840 22.216 12.393 -11.862 -99.200 -91.000 TYR 35 0.840 9.155 -4.407 -7.656 -99.200 -91.000 TRP 37 1.040 4.166 -5.255 -12.259 -99.200 -91.000 TRP6 37 1.020 4.924 -6.895 -10.703 -99.200 -91.000 HIS 41 0.900 4.221 1.050 -18.377 -99.200 -91.000 PHE 42 1.000 10.352 1.393 -19.746 -99.200 -91.000 PHE 45 1.000 13.213 1.768 -23.821 -99.200 -91.000 TYR 49 0.840 15.321 -14.774 -24.012 -99.200 -91.000 HIS 63 0.900 13.605 5.461 -22.410 -99.200 -91.000 HIS 69 0.900 20.858 13.890 -15.783 -99.200 -91.000 TYR 85 0.840 9.286 15.921 -10.113 -99.200 -91.000 HIS 92 0.900 6.301 9.501 -16.449 -99.200 -91.000 HIS 97 0.900 -2.942 5.421 -21.163 -99.200 -91.000 PHE 103 1.000 4.697 7.231 -11.616 -99.200 -91.000 HIS 120 0.900 28.575 -0.978 6.170 -99.200 -91.000 PHE 122 1.000 20.953 4.621 1.273 -99.200 -91.000 PHE 130 1.000 17.689 8.520 -2.816 -99.200 -91.000 PHE 133 1.000 14.093 14.469 -4.077 -99.200 -91.000 TYR 145 0.840 -7.637 11.027 -4.926 -99.200 -91.000 HIS 146 0.900 -0.933 16.087 -1.789 -99.200 -91.000