============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. HIS 8 0.900 -13.562 -18.154 -56.629 -99.200 -91.000 TYR 9 0.840 -23.212 -15.974 -58.263 -99.200 -91.000 TRP 15 1.040 -22.594 -29.103 -55.715 -99.200 -91.000 TRP6 15 1.020 -24.644 -29.650 -54.666 -99.200 -91.000 TYR 19 0.840 -29.583 -31.831 -55.243 -99.200 -91.000 PHE 27 1.000 -40.668 -36.368 -59.791 -99.200 -91.000 TYR 34 0.840 -47.159 -31.734 -65.527 -99.200 -91.000 PHE 35 1.000 -38.406 -31.745 -59.738 -99.200 -91.000 TYR 49 0.840 -33.753 -18.839 -61.758 -99.200 -91.000 TYR 55 0.840 -26.582 -27.547 -66.665 -99.200 -91.000 TYR 56 0.840 -34.821 -25.608 -73.503 -99.200 -91.000 PHE 63 1.000 -35.936 -26.538 -66.732 -99.200 -91.000 TYR 65 0.840 -44.308 -34.072 -69.811 -99.200 -91.000 PHE 69 1.000 -46.864 -24.508 -57.582 -99.200 -91.000 TYR 74 0.840 -40.916 -6.016 -54.638 -99.200 -91.000 HIS 81 0.900 -42.050 -1.692 -62.296 -99.200 -91.000 TYR 85 0.840 -39.450 -10.339 -56.451 -99.200 -91.000 HIS 86 0.900 -46.493 -12.157 -61.693 -99.200 -91.000 PHE 88 1.000 -34.875 -12.634 -61.259 -99.200 -91.000 TRP 90 1.040 -41.782 -14.087 -70.337 -99.200 -91.000 TRP6 90 1.020 -40.841 -12.425 -71.729 -99.200 -91.000 PHE 93 1.000 -35.800 -21.464 -65.134 -99.200 -91.000 PHE 94 1.000 -41.177 -18.843 -65.221 -99.200 -91.000 HIS 96 0.900 -33.588 -16.535 -71.951 -99.200 -91.000 HIS 100 0.900 -46.133 -27.088 -72.151 -99.200 -91.000 HIS 105 0.900 -49.158 -22.673 -61.266 -99.200 -91.000 PHE 121 1.000 -48.231 -19.245 -55.177 -99.200 -91.000 PHE 134 1.000 -40.648 -22.990 -52.299 -99.200 -91.000 HIS 143 0.900 -35.829 -11.795 -46.572 -99.200 -91.000 PHE 146 1.000 -40.227 -10.026 -50.354 -99.200 -91.000 PHE 173 1.000 -32.312 -5.096 -57.151 -99.200 -91.000 PHE 174 1.000 -38.630 -1.388 -56.778 -99.200 -91.000 HIS 207 0.900 -24.021 -10.001 -50.179 -99.200 -91.000 PHE 210 1.000 -24.641 -11.296 -37.529 -99.200 -91.000 TYR 213 0.840 -23.218 -16.736 -35.716 -99.200 -91.000 HIS 222 0.900 -40.301 -14.506 -33.513 -99.200 -91.000 TRP 224 1.040 -31.609 -13.906 -36.657 -99.200 -91.000 TRP6 224 1.020 -30.347 -12.314 -37.867 -99.200 -91.000 PHE 229 1.000 -36.405 -23.657 -44.520 -99.200 -91.000 HIS 232 0.900 -37.450 -29.733 -45.104 -99.200 -91.000 PHE 237 1.000 -29.168 -24.347 -44.885 -99.200 -91.000 TYR 254 0.840 -19.665 -33.123 -40.062 -99.200 -91.000 PHE 255 1.000 -22.050 -29.679 -42.656 -99.200 -91.000 HIS 262 0.900 -22.858 -33.671 -48.406 -99.200 -91.000 TYR 270 0.840 -27.716 -39.906 -63.564 -99.200 -91.000