============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 14 1.000 -2.179 -46.553 -15.766 -99.200 -91.000 PHE 19 1.000 1.563 -51.989 -23.458 -99.200 -91.000 TYR 21 0.840 6.402 -51.915 -24.386 -99.200 -91.000 HIS 24 0.900 9.797 -58.648 -28.318 -99.200 -91.000 PHE 35 1.000 -1.122 -46.037 -11.519 -99.200 -91.000 TYR 38 0.840 -6.812 -39.366 -5.078 -99.200 -91.000 TYR 64 0.840 3.497 -48.397 -26.995 -99.200 -91.000 TYR 81 0.840 -10.009 -36.624 -22.137 -99.200 -91.000 HIS 83 0.900 -4.910 -35.468 -32.908 -99.200 -91.000 HIS 84 0.900 -3.296 -31.689 -32.920 -99.200 -91.000 TYR 85 0.840 -8.381 -31.230 -23.584 -99.200 -91.000 HIS 87 0.900 1.905 -32.207 -27.266 -99.200 -91.000 PHE 100 1.000 19.649 -32.796 -35.615 -99.200 -91.000 PHE 104 1.000 20.612 -23.890 -26.157 -99.200 -91.000 TYR 110 0.840 8.963 -30.050 -30.797 -99.200 -91.000 HIS 131 0.900 18.114 -16.169 -17.747 -99.200 -91.000 PHE 133 1.000 22.393 -24.102 -20.266 -99.200 -91.000 PHE 137 1.000 25.072 -21.174 -24.654 -99.200 -91.000 TYR 141 0.840 16.775 -17.875 -23.076 -99.200 -91.000 TYR 195 0.840 7.103 -32.368 -3.409 -99.200 -91.000 TRP 200 1.040 4.354 -26.532 -11.518 -99.200 -91.000 TRP6 200 1.020 3.804 -28.094 -13.203 -99.200 -91.000 HIS 210 0.900 15.412 -46.949 -10.633 -99.200 -91.000 HIS 219 0.900 2.036 -33.841 -1.811 -99.200 -91.000 HIS 220 0.900 -0.403 -43.136 -2.561 -99.200 -91.000 PHE 223 1.000 8.950 -51.398 -4.475 -99.200 -91.000 HIS 235 0.900 10.302 -42.476 3.923 -99.200 -91.000 TYR 245 0.840 9.566 -46.379 0.212 -99.200 -91.000