NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
520152 |
2l5t   |
17284 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!Tyr2 assign (resid 2 and name HN ) (resid 1 and name HA ) 2.524 0.505 0.505 assign (resid 2 and name HN ) (resid 1 and name HG# ) 3.631 0.726 0.726 assign (resid 2 and name HA ) (resid 2 and name HD# ) 3.849 0.770 0.770 assign (resid 2 and name HB# ) (resid 2 and name HD# ) 3.095 0.619 0.619 assign (resid 2 and name HN ) (resid 2 and name HB# ) 2.864 0.573 0.573 assign (resid 2 and name HN ) (resid 2 and name HA ) 3.264 0.653 0.653 assign (resid 2 and name HE# ) (resid 50 and name HB# ) 5.486 1.097 1.097 assign (resid 2 and name HB# ) (resid 51 and name HG# ) 4.719 0.944 0.944 assign (resid 2 and name HD# ) (resid 51 and name HB ) 4.092 0.818 0.818 !assign (resid 2 and name HE# ) (resid 51 and name HA ) 5.574 1.019 1.019 assign (resid 2 and name HE# ) (resid 51 and name HG# ) 4.994 1.019 1.019 assign (resid 2 and name HN ) (resid 75 and name HA ) 4.526 0.805 0.805 assign (resid 2 and name HN ) (resid 75 and name HN ) 4.050 0.805 0.805 assign (resid 2 and name HN ) (resid 75 and name HB ) 3.700 0.740 0.740 assign (resid 2 and name HD# ) (resid 75 and name HB ) 3.937 0.807 0.807 assign (resid 2 and name HN ) (resid 75 and name HG2#) 4.960 0.992 0.992 assign (resid 2 and name HB# ) (resid 75 and name HB ) 3.934 0.787 0.787 assign (resid 2 and name HD# ) (resid 75 and name HG2#) 6.073 1.215 1.215 assign (resid 2 and name HD# ) (resid 75 and name HG1#) 7.363 1.473 0.637 assign (resid 2 and name HE# ) (resid 75 and name HD1#) 6.093 1.219 1.219 assign (resid 2 and name HN ) (resid 77 and name HN ) 3.920 0.784 0.784 assign (resid 2 and name HN ) (resid 77 and name HG2#) 4.445 0.889 0.889 assign (resid 2 and name HB# ) (resid 77 and name HB ) 4.081 0.745 0.745 assign (resid 2 and name HB# ) (resid 77 and name HG2#) 4.481 0.896 0.896 !Glu3 assign (resid 3 and name HN ) (resid 2 and name HB# ) 3.702 0.740 0.740 assign (resid 3 and name HN ) (resid 2 and name HA ) 2.514 0.503 0.503 assign (resid 3 and name HN ) (resid 2 and name HN ) 4.194 0.839 0.839 assign (resid 3 and name HN ) (resid 3 and name HB# ) 3.212 0.662 0.662 assign (resid 3 and name HN ) (resid 3 and name HG# ) 3.814 0.663 0.663 assign (resid 3 and name HB# ) (resid 71 and name HG2#) 3.214 0.656 0.656 assign (resid 3 and name HG# ) (resid 71 and name HG2#) 4.414 0.863 0.863 assign (resid 3 and name HA ) (resid 71 and name HG2#) 4.772 0.883 0.883 assign (resid 3 and name HA ) (resid 74 and name HA ) 3.414 0.663 0.663 assign (resid 3 and name HG# ) (resid 74 and name HA ) 4.014 0.663 0.663 assign (resid 3 and name HG# ) (resid 74 and name HG# ) 3.014 0.563 0.563 !Phe4 assign (resid 4 and name HN ) (resid 3 and name HB# ) 3.155 0.631 0.631 !assign (resid 4 and name HN ) (resid 3 and name HG2 ) 3.161 0.632 0.632 assign (resid 4 and name HN ) (resid 3 and name HG# ) 4.350 0.870 0.870 assign (resid 4 and name HN ) (resid 3 and name HA ) 2.446 0.489 0.489 assign (resid 4 and name HA ) (resid 4 and name HD# ) 3.597 0.719 0.719 !assign (resid 4 and name HB# ) (resid 4 and name HD# ) 3.873 0.775 0.775 !assign (resid 4 and name HN ) (resid 4 and name HB2 ) 2.798 0.560 0.560 assign (resid 4 and name HA ) (resid 4 and name HN ) 3.318 0.664 0.664 assign (resid 4 and name HN ) (resid 4 and name HB# ) 2.986 0.597 0.597 assign (resid 4 and name HB# ) (resid 4 and name HE# ) 4.509 0.902 0.902 !assign (resid 4 and name HE# ) (resid 16 and name HA# ) 6.026 1.205 1.205 assign (resid 4 and name HE# ) (resid 18 and name HG2#) 7.000 1.600 1.600 !assign (resid 4 and name HZ ) (resid 18 and name HG2#) 4.295 0.859 0.859 assign (resid 4 and name HD# ) (resid 21 and name HZ3 ) 3.994 0.799 0.799 assign (resid 4 and name HD# ) (resid 21 and name HH2 ) 3.694 0.625 0.625 assign (resid 4 and name HE# ) (resid 21 and name HH2 ) 3.233 0.612 0.612 !assign (resid 4 and name HD# ) (resid 35 and name HD# ) 4.712 0.942 0.942 assign (resid 4 and name HZ ) (resid 36 and name HG# ) 5.194 1.039 1.039 !assign (resid 4 and name HZ ) (resid 66 and name HG# ) 5.188 1.038 1.038 assign (resid 4 and name HN ) (resid 71 and name HA ) 4.952 0.935 0.935 assign (resid 4 and name HN ) (resid 71 and name HG2#) 3.973 0.795 0.795 assign (resid 4 and name HN ) (resid 73 and name HD# ) 5.407 0.881 0.881 assign (resid 4 and name HB# ) (resid 73 and name HB# ) 4.554 0.931 0.931 assign (resid 4 and name HB# ) (resid 73 and name HD# ) 5.160 1.032 1.032 assign (resid 4 and name HE# ) (resid 73 and name HD# ) 4.160 0.832 0.832 assign (resid 4 and name HN ) (resid 74 and name HA ) 3.976 0.715 0.715 !Lys5 !assign (resid 5 and name HN ) (resid 4 and name HB1 ) 3.820 0.764 0.764 assign (resid 5 and name HN ) (resid 4 and name HB# ) 3.820 0.764 0.764 assign (resid 5 and name HN ) (resid 4 and name HA ) 2.436 0.487 0.487 assign (resid 5 and name HN ) (resid 5 and name HB# ) 3.213 0.683 0.683 !assign (resid 5 and name HN ) (resid 5 and name HB1 ) 2.913 0.583 0.583 !assign (resid 5 and name HN ) (resid 5 and name HB2 ) 2.909 0.582 0.582 assign (resid 5 and name HN ) (resid 6 and name HN ) 5.263 1.053 1.053 !assign (resid 5 and name HB2 ) (resid 6 and name HN ) 2.624 0.525 0.525 assign (resid 5 and name HB# ) (resid 6 and name HN ) 3.581 0.716 0.716 assign (resid 5 and name HA ) (resid 71 and name HA ) 3.090 0.618 0.618 assign (resid 5 and name HB# ) (resid 71 and name HA ) 4.890 0.818 0.818 !Leu6 assign (resid 6 and name HN ) (resid 5 and name HA ) 2.611 0.522 0.522 assign (resid 6 and name HB# ) (resid 6 and name HN ) 3.255 0.631 0.631 !assign (resid 6 and name HB2 ) (resid 6 and name HN ) 2.655 0.531 0.531 assign (resid 6 and name HN ) (resid 6 and name HD#) 4.646 0.929 0.929 assign (resid 6 and name HA ) (resid 6 and name HN ) 3.055 0.611 0.611 assign (resid 6 and name HG ) (resid 38 and name HB ) 4.555 0.811 0.811 assign (resid 6 and name HN ) (resid 69 and name HN ) 4.566 0.973 0.973 assign (resid 6 and name HB# ) (resid 69 and name HN ) 3.846 0.789 0.789 !assign (resid 6 and name HB1 ) (resid 69 and name HN ) 3.446 0.689 0.689 !assign (resid 6 and name HB2 ) (resid 69 and name HN ) 2.982 0.596 0.596 assign (resid 6 and name HN ) (resid 72 and name HD#) 4.179 0.836 0.836 assign (resid 6 and name HN ) (resid 72 and name HG ) 4.479 0.836 0.836 assign (resid 6 and name HN ) (resid 72 and name HB#) 4.658 0.836 0.836 assign (resid 6 and name HB# ) (resid 72 and name HD#) 3.745 0.784 0.784 !assign (resid 6 and name HN ) (resid 72 and name HD2#) 4.179 0.836 0.836 !Pro7 assign (resid 7 and name HD# ) (resid 47 and name HG2#) 4.665 0.933 0.933 !assign (resid 7 and name HD2 ) (resid 47 and name HG2#) 4.665 0.933 0.933 !assign (resid 7 and name HD1 ) (resid 47 and name HG2#) 4.317 0.863 0.863 !Asp8 !assign (resid 8 and name HN ) (resid 7 and name HG2 ) 2.771 0.554 0.554 !assign (resid 8 and name HN ) (resid 7 and name HG1 ) 3.736 0.747 0.747 assign (resid 8 and name HN ) (resid 7 and name HG# ) 3.736 0.747 0.747 assign (resid 8 and name HN ) (resid 7 and name HA ) 2.643 0.529 0.529 assign (resid 8 and name HN ) (resid 7 and name HB# ) 3.569 0.714 0.714 !assign (resid 8 and name HN ) (resid 7 and name HB2 ) 3.569 0.714 0.714 !assign (resid 8 and name HN ) (resid 7 and name HB1 ) 3.165 0.633 0.633 assign (resid 8 and name HN ) (resid 8 and name HB# ) 2.776 0.555 0.555 !assign (resid 8 and name HN ) (resid 8 and name HB2 ) 2.636 0.527 0.527 assign (resid 8 and name HN ) (resid 8 and name HA ) 2.915 0.583 0.583 !assign (resid 8 and name HN ) (resid 8 and name HB1 ) 2.776 0.555 0.555 !assign (resid 8 and name HB1 ) (resid 9 and name HN ) 3.708 0.742 0.742 assign (resid 8 and name HB# ) (resid 9 and name HN ) 3.708 0.742 0.742 !assign (resid 8 and name HB1 ) (resid 9 and name HN ) 3.708 0.742 0.742 !assign (resid 8 and name HB2 ) (resid 9 and name HN ) 3.719 0.744 0.744 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.776 0.755 0.755 !assign (resid 8 and name HA ) (resid 50 and name HG# ) 4.724 0.945 0.945 !assign (resid 8 and name HA ) (resid 50 and name HG1 ) 4.724 0.945 0.945 !Ile9 assign (resid 9 and name HN ) (resid 8 and name HA ) 2.934 0.587 0.587 assign (resid 9 and name HN ) (resid 9 and name HB ) 3.296 0.659 0.659 assign (resid 9 and name HN ) (resid 9 and name HD1#) 4.492 0.898 0.898 assign (resid 9 and name HN ) (resid 9 and name HG2#) 3.515 0.703 0.703 assign (resid 9 and name HA ) (resid 9 and name HD1#) 5.205 1.041 1.041 assign (resid 9 and name HG1#) (resid 10 and name HN ) 3.969 0.794 0.794 !assign (resid 9 and name HG11) (resid 10 and name HN ) 3.969 0.794 0.794 !Gly10 assign (resid 10 and name HN ) (resid 9 and name HB ) 3.310 0.662 0.662 assign (resid 10 and name HN ) (resid 9 and name HA ) 2.771 0.554 0.554 !assign (resid 10 and name HN ) (resid 10 and name HA2 ) 2.855 0.571 0.571 !assign (resid 10 and name HN ) (resid 10 and name HA1 ) 2.733 0.547 0.547 !Val13 assign (resid 13 and name HB ) (resid 8 and name HA ) 4.244 0.786 0.786 assign (resid 13 and name HG# ) (resid 8 and name HA ) 4.644 0.886 0.886 !assign (resid 13 and name HN ) (resid 12 and name HA# ) 3.432 0.686 0.686 assign (resid 13 and name HN ) (resid 13 and name HB ) 2.606 0.521 0.521 assign (resid 13 and name HN ) (resid 13 and name HG# ) 3.941 0.788 0.788 assign (resid 13 and name HG# ) (resid 40 and name HA ) 4.453 0.886 0.886 assign (resid 13 and name HG# ) (resid 40 and name HB ) 3.233 0.686 0.686 assign (resid 13 and name HG# ) (resid 40 and name HG2#) 3.000 0.586 0.586 !Glu15 !assign (resid 15 and name HN ) (resid 13 and name HG2#) 3.391 0.678 0.678 assign (resid 15 and name HN ) (resid 13 and name HG# ) 3.391 0.678 0.678 assign (resid 15 and name HN ) (resid 14 and name HG2#) 5.143 1.029 1.029 assign (resid 15 and name HN ) (resid 14 and name HB ) 3.544 0.709 0.709 !assign (resid 15 and name HN ) (resid 15 and name HG2 ) 3.539 0.708 0.708 assign (resid 15 and name HN ) (resid 15 and name HG# ) 3.739 0.708 0.708 !assign (resid 15 and name HN ) (resid 15 and name HB2 ) 3.651 0.730 0.730 assign (resid 15 and name HN ) (resid 15 and name HB# ) 3.651 0.730 0.730 !assign (resid 15 and name HN ) (resid 15 and name HG1 ) 2.943 0.589 0.589 assign (resid 15 and name HN ) (resid 15 and name HA ) 3.128 0.626 0.626 !assign (resid 15 and name HB1 ) (resid 67 and name HA ) 3.694 0.739 0.739 !assign (resid 15 and name HB2 ) (resid 67 and name HA ) 3.855 0.771 0.771 assign (resid 15 and name HA ) (resid 67 and name HA ) 3.161 0.632 0.632 assign (resid 15 and name HB# ) (resid 67 and name HA ) 3.855 0.771 0.771 assign (resid 15 and name HA ) (resid 68 and name HG# ) 4.725 0.945 0.945 assign (resid 15 and name HN ) (resid 68 and name HG# ) 4.125 0.825 0.825 !Gly16 assign (resid 16 and name HA# ) (resid 6 and name HD# ) 3.481 0.653 0.653 assign (resid 16 and name HN ) (resid 15 and name HA ) 2.649 0.530 0.530 assign (resid 16 and name HN ) (resid 15 and name HB# ) 3.381 0.676 0.676 !assign (resid 16 and name HN ) (resid 15 and name HB2 ) 2.996 0.599 0.599 !assign (resid 16 and name HN ) (resid 15 and name HN ) 4.250 0.850 0.850 assign (resid 16 and name HA# ) (resid 17 and name HN ) 2.969 0.594 0.594 !assign (resid 16 and name HA1 ) (resid 17 and name HN ) 2.819 0.564 0.564 assign (resid 16 and name HN ) (resid 17 and name HN ) 4.230 0.846 0.846 !assign (resid 16 and name HA2 ) (resid 17 and name HN ) 2.969 0.594 0.594 assign (resid 16 and name HA# ) (resid 40 and name HA ) 3.881 0.753 0.753 assign (resid 16 and name HA# ) (resid 40 and name HB ) 4.255 0.853 0.853 assign (resid 16 and name HN ) (resid 65 and name HA ) 3.753 0.751 0.751 assign (resid 16 and name HN ) (resid 65 and name HG# ) 3.566 0.713 0.713 assign (resid 16 and name HN ) (resid 66 and name HB ) 3.794 0.759 0.759 assign (resid 16 and name HN ) (resid 66 and name HN ) 3.178 0.636 0.636 assign (resid 16 and name HN ) (resid 66 and name HA ) 4.553 0.851 0.851 !assign (resid 16 and name HN ) (resid 66 and name HG1#) 4.405 0.881 0.881 assign (resid 16 and name HN ) (resid 66 and name HG# ) 4.605 0.981 0.981 assign (resid 16 and name HN ) (resid 67 and name HA ) 3.680 0.736 0.736 !Glu17 !assign (resid 17 and name HN ) (resid 17 and name HB2 ) 2.772 0.554 0.554 !assign (resid 17 and name HN ) (resid 17 and name HB1 ) 2.934 0.587 0.587 assign (resid 17 and name HN ) (resid 6 and name HD# ) 3.571 0.774 0.774 assign (resid 17 and name HA ) (resid 65 and name HA ) 3.088 0.618 0.618 assign (resid 17 and name HA ) (resid 65 and name HB ) 4.388 0.818 0.818 assign (resid 17 and name HA ) (resid 65 and name HG# ) 4.371 0.874 0.874 !Ile18 assign (resid 18 and name HN ) (resid 17 and name HA ) 2.553 0.511 0.511 assign (resid 18 and name HN ) (resid 17 and name HB# ) 3.077 0.615 0.615 !assign (resid 18 and name HN ) (resid 17 and name HG1 ) 3.077 0.615 0.615 assign (resid 18 and name HN ) (resid 18 and name HD1#) 3.852 0.770 0.770 assign (resid 18 and name HN ) (resid 18 and name HG2#) 4.207 0.841 0.841 !assign (resid 18 and name HG2#) (resid 18 and name HB ) 3.569 0.714 0.714 !assign (resid 18 and name HD1#) (resid 18 and name HG2#) 4.254 0.851 0.851 !assign (resid 18 and name HG12) (resid 18 and name HB ) 4.008 0.802 0.802 !assign (resid 18 and name HG11) (resid 18 and name HG12) 2.818 0.564 0.564 !assign (resid 18 and name HD1#) (resid 18 and name HG12) 3.681 0.736 0.736 !assign (resid 18 and name HA ) (resid 18 and name HG11) 3.570 0.714 0.714 !assign (resid 18 and name HA ) (resid 18 and name HB ) 3.236 0.647 0.647 !assign (resid 18 and name HA ) (resid 18 and name HG12) 4.025 0.805 0.805 !assign (resid 18 and name HD1#) (resid 18 and name HB ) 3.823 0.765 0.765 !assign (resid 18 and name HN ) (resid 18 and name HG11) 2.937 0.587 0.587 !assign (resid 18 and name HG2#) (resid 18 and name HG12) 4.261 0.852 0.852 !assign (resid 18 and name HG2#) (resid 18 and name HA ) 3.489 0.698 0.698 assign (resid 18 and name HN ) (resid 18 and name HA ) 3.250 0.650 0.650 assign (resid 18 and name HN ) (resid 18 and name HB ) 2.827 0.565 0.565 !assign (resid 18 and name HD1#) (resid 18 and name HG11) 3.233 0.647 0.647 !assign (resid 18 and name HG2#) (resid 18 and name HG11) 3.967 0.793 0.793 !assign (resid 18 and name HD1#) (resid 18 and name HA ) 4.044 0.809 0.809 !assign (resid 18 and name HN ) (resid 18 and name HG12) 2.943 0.589 0.589 assign (resid 18 and name HA ) (resid 36 and name HG# ) 4.902 0.980 0.980 assign (resid 18 and name HD1#) (resid 19 and name HN ) 4.169 0.834 0.834 !assign (resid 18 and name HD1#) (resid 36 and name HG# ) 5.211 1.042 1.042 !assign (resid 18 and name HG2#) (resid 36 and name HB ) 5.530 1.106 1.106 !assign (resid 18 and name HD1#) (resid 36 and name HG2#) 5.211 1.042 1.042 assign (resid 18 and name HA ) (resid 38 and name HA ) 3.555 0.711 0.711 assign (resid 18 and name HA ) (resid 38 and name HB ) 4.553 0.891 0.891 assign (resid 18 and name HA ) (resid 38 and name HG# ) 4.692 0.938 0.938 assign (resid 18 and name HG1#) (resid 38 and name HA ) 4.593 0.919 0.919 assign (resid 18 and name HG1#) (resid 38 and name HG# ) 4.008 0.802 0.802 assign (resid 18 and name HD1#) (resid 60 and name HE# ) 4.810 0.962 0.962 assign (resid 18 and name HD1#) (resid 60 and name HD# ) 4.685 0.937 0.937 assign (resid 18 and name HD1#) (resid 60 and name HB# ) 4.191 0.838 0.838 !assign (resid 18 and name HD1#) (resid 60 and name HB2 ) 4.191 0.838 0.838 !assign (resid 18 and name HD1#) (resid 60 and name HB1 ) 4.202 0.840 0.840 assign (resid 18 and name HG2#) (resid 62 and name HG# ) 4.071 0.814 0.814 assign (resid 18 and name HN ) (resid 63 and name HN ) 3.936 0.787 0.787 assign (resid 18 and name HD1#) (resid 64 and name HN ) 4.947 0.989 0.989 assign (resid 18 and name HN ) (resid 64 and name HN ) 3.935 0.787 0.787 assign (resid 18 and name HN ) (resid 65 and name HA ) 3.482 0.696 0.696 assign (resid 18 and name HN ) (resid 66 and name HG# ) 4.820 0.904 0.904 !assign (resid 18 and name HN ) (resid 66 and name HG1#) 4.520 0.904 0.904 !assign (resid 18 and name HG2#) (resid 66 and name HG# ) 7.506 1.501 0.494 assign (resid 18 and name HD1#) (resid 66 and name HG# ) 5.584 1.117 1.117 assign (resid 18 and name HG1#) (resid 66 and name HG# ) 5.012 1.002 1.002 !assign (resid 18 and name HG12) (resid 66 and name HG# ) 4.875 0.975 0.975 !assign (resid 18 and name HG11) (resid 66 and name HG# ) 5.012 1.002 1.002 assign (resid 18 and name HD1#) (resid 72 and name HD# ) 4.425 0.885 0.885 !Val19 assign (resid 19 and name HN ) (resid 18 and name HA ) 2.609 0.522 0.522 assign (resid 19 and name HN ) (resid 18 and name HG# ) 3.804 0.761 0.761 !assign (resid 19 and name HN ) (resid 18 and name HG1#) 2.796 0.559 0.559 !assign (resid 19 and name HN ) (resid 18 and name HG11) 2.796 0.559 0.559 !assign (resid 19 and name HN ) (resid 18 and name HG2#) 3.804 0.761 0.761 assign (resid 19 and name HN ) (resid 19 and name HA ) 3.446 0.689 0.689 !assign (resid 19 and name HA ) (resid 19 and name HB ) 3.607 0.721 0.721 !assign (resid 19 and name HN ) (resid 19 and name HG# ) 3.868 0.774 0.774 !assign (resid 19 and name HN ) (resid 19 and name HG2#) 3.868 0.774 0.774 !assign (resid 19 and name HG# ) (resid 19 and name HA ) 3.812 0.762 0.762 !assign (resid 19 and name HN ) (resid 19 and name HB ) 2.896 0.579 0.579 assign (resid 19 and name HN ) (resid 20 and name HN ) 2.671 0.534 0.534 assign (resid 19 and name HN ) (resid 36 and name HG# ) 5.007 0.921 0.921 !assign (resid 19 and name HN ) (resid 36 and name HG2#) 4.607 0.921 0.921 assign (resid 19 and name HN ) (resid 37 and name HN ) 4.671 0.934 0.934 assign (resid 19 and name HN ) (resid 37 and name HB# ) 4.801 0.940 0.940 assign (resid 19 and name HG# ) (resid 39 and name HB# ) 4.201 0.840 0.840 !assign (resid 19 and name HG# ) (resid 39 and name HB2 ) 4.201 0.840 0.840 !assign (resid 19 and name HG2#) (resid 39 and name HB1 ) 4.178 0.836 0.836 !Arg20 assign (resid 20 and name HN ) (resid 18 and name HA ) 3.447 0.689 0.689 assign (resid 20 and name HN ) (resid 18 and name HG2#) 3.627 0.725 0.725 assign (resid 20 and name HN ) (resid 19 and name HA ) 3.625 0.725 0.725 !assign (resid 20 and name HN ) (resid 19 and name HG2#) 5.131 1.026 1.026 assign (resid 20 and name HN ) (resid 19 and name HB ) 3.998 0.800 0.800 assign (resid 20 and name HG# ) (resid 20 and name HN ) 3.963 0.793 0.793 !assign (resid 20 and name HG2 ) (resid 20 and name HN ) 3.963 0.793 0.793 assign (resid 20 and name HN ) (resid 20 and name HA ) 3.184 0.637 0.637 assign (resid 20 and name HN ) (resid 37 and name HN ) 3.238 0.648 0.648 assign (resid 20 and name HB# ) (resid 37 and name HN ) 3.938 0.848 0.848 assign (resid 20 and name HD# ) (resid 37 and name HN ) 4.538 0.948 0.948 assign (resid 20 and name HA ) (resid 62 and name HB# ) 6.304 1.261 1.261 assign (resid 20 and name HA ) (resid 62 and name HG# ) 4.802 0.960 0.960 !Trp21 assign (resid 21 and name HD1 ) (resid 18 and name HG2#) 4.286 0.857 0.857 assign (resid 21 and name HE1 ) (resid 18 and name HG1#) 4.486 0.857 0.857 assign (resid 21 and name HE1 ) (resid 18 and name HD1#) 3.286 0.657 0.657 assign (resid 21 and name HN ) (resid 18 and name HG2#) 4.492 0.898 0.898 assign (resid 21 and name HN ) (resid 20 and name HB# ) 3.393 0.679 0.679 !assign (resid 21 and name HN ) (resid 20 and name HB1 ) 3.393 0.679 0.679 assign (resid 21 and name HN ) (resid 20 and name HA ) 2.424 0.485 0.485 assign (resid 21 and name HN ) (resid 20 and name HG# ) 3.336 0.667 0.667 !assign (resid 21 and name HN ) (resid 20 and name HG1 ) 3.336 0.667 0.667 !assign (resid 21 and name HN ) (resid 20 and name HG2 ) 3.497 0.699 0.699 !assign (resid 21 and name HD1 ) (resid 21 and name HN ) 3.055 0.611 0.611 assign (resid 21 and name HA ) (resid 21 and name HE3 ) 3.350 0.670 0.670 assign (resid 21 and name HB# ) (resid 21 and name HE3 ) 3.513 0.703 0.703 !assign (resid 21 and name HB2 ) (resid 21 and name HE3 ) 3.513 0.703 0.703 !assign (resid 21 and name HE3 ) (resid 21 and name HZ3 ) 2.831 0.566 0.566 !assign (resid 21 and name HD1 ) (resid 21 and name HN ) 3.753 0.751 0.751 assign (resid 21 and name HN ) (resid 21 and name HA ) 3.447 0.689 0.689 !assign (resid 21 and name HD1 ) (resid 21 and name HE1 ) 2.704 0.541 0.541 assign (resid 21 and name HN ) (resid 21 and name HB# ) 3.139 0.628 0.628 !assign (resid 21 and name HN ) (resid 21 and name HB2 ) 3.139 0.628 0.628 !assign (resid 21 and name HN ) (resid 21 and name HB1 ) 2.741 0.548 0.548 !assign (resid 21 and name HB1 ) (resid 21 and name HB2 ) 2.867 0.573 0.573 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.555 0.511 0.511 assign (resid 21 and name HA ) (resid 36 and name HA ) 3.239 0.648 0.648 assign (resid 21 and name HA ) (resid 36 and name HB ) 3.989 0.798 0.798 assign (resid 21 and name HA ) (resid 36 and name HG# ) 4.386 0.877 0.877 !assign (resid 21 and name HA ) (resid 36 and name HG2#) 4.386 0.877 0.877 !assign (resid 21 and name HZ2 ) (resid 36 and name HG# ) 4.269 0.854 0.854 !assign (resid 21 and name HE3 ) (resid 36 and name HG# ) 4.769 0.854 0.854 assign (resid 21 and name HA ) (resid 37 and name HN ) 3.691 0.738 0.738 assign (resid 21 and name HE1 ) (resid 58 and name HD1#) 3.874 0.775 0.775 !assign (resid 21 and name HE1 ) (resid 60 and name HE# ) 3.498 0.700 0.700 assign (resid 21 and name HD1 ) (resid 61 and name HA ) 3.384 0.677 0.677 assign (resid 21 and name HD1 ) (resid 61 and name HB# ) 4.749 0.857 0.857 assign (resid 21 and name HE1 ) (resid 61 and name HA ) 2.843 0.569 0.569 assign (resid 21 and name HE1 ) (resid 62 and name HA ) 4.023 0.769 0.769 assign (resid 21 and name HD1 ) (resid 62 and name HB# ) 3.874 0.775 0.775 assign (resid 21 and name HD1 ) (resid 62 and name HG# ) 2.874 0.575 0.575 assign (resid 21 and name HN ) (resid 62 and name HG# ) 4.589 0.818 0.818 assign (resid 62 and name HN ) (resid 21 and name HD1 ) 3.055 0.611 0.611 assign (resid 21 and name HZ3 ) (resid 73 and name HD# ) 4.748 0.910 0.910 assign (resid 21 and name HH2 ) (resid 73 and name HB# ) 4.419 0.884 0.884 assign (resid 21 and name HH2 ) (resid 73 and name HD# ) 4.419 0.884 0.884 !Asp22 !assign (resid 22 and name HN ) (resid 21 and name HB2 ) 3.428 0.686 0.686 !assign (resid 22 and name HN ) (resid 21 and name HB1 ) 3.875 0.775 0.775 assign (resid 22 and name HN ) (resid 21 and name HB# ) 3.875 0.775 0.775 !assign (resid 22 and name HN ) (resid 22 and name HB2 ) 2.858 0.572 0.572 assign (resid 22 and name HN ) (resid 22 and name HA ) 3.057 0.611 0.611 assign (resid 22 and name HN ) (resid 22 and name HB# ) 3.313 0.663 0.663 !assign (resid 22 and name HN ) (resid 22 and name HB1 ) 3.313 0.663 0.663 assign (resid 22 and name HN ) (resid 23 and name HN ) 2.767 0.553 0.553 assign (resid 22 and name HB# ) (resid 35 and name HD# ) 4.555 0.833 0.833 assign (resid 22 and name HN ) (resid 36 and name HG# ) 4.665 0.933 0.933 assign (resid 22 and name HB# ) (resid 36 and name HA ) 3.855 0.733 0.733 !assign (resid 22 and name HN ) (resid 36 and name HG2#) 4.665 0.933 0.933 !assign (resid 22 and name HN ) (resid 36 and name HG1#) 4.990 0.998 0.998 assign (resid 22 and name HN ) (resid 36 and name HA ) 3.488 0.698 0.698 !Val23 assign (resid 23 and name HG# ) (resid 21 and name HE3 ) 3.803 0.761 0.761 !assign (resid 23 and name HG2#) (resid 21 and name HE3 ) 3.803 0.761 0.761 assign (resid 23 and name HG# ) (resid 21 and name HZ3 ) 3.682 0.736 0.736 !assign (resid 23 and name HG2#) (resid 21 and name HZ3 ) 3.682 0.736 0.736 !assign (resid 23 and name HN ) (resid 21 and name HB2 ) 2.945 0.589 0.589 !assign (resid 23 and name HN ) (resid 21 and name HB1 ) 3.375 0.675 0.675 assign (resid 23 and name HN ) (resid 21 and name HB# ) 3.375 0.675 0.675 assign (resid 23 and name HN ) (resid 22 and name HB# ) 4.089 0.818 0.818 !assign (resid 23 and name HN ) (resid 22 and name HB1 ) 4.089 0.818 0.818 !assign (resid 23 and name HN ) (resid 22 and name HB2 ) 3.275 0.655 0.655 assign (resid 23 and name HN ) (resid 22 and name HA ) 3.255 0.651 0.651 !assign (resid 23 and name HN ) (resid 23 and name HG1#) 3.847 0.769 0.769 !assign (resid 23 and name HN ) (resid 23 and name HG2#) 3.180 0.636 0.636 assign (resid 23 and name HN ) (resid 23 and name HA ) 3.078 0.616 0.616 !assign (resid 23 and name HG1#) (resid 23 and name HB ) 3.458 0.692 0.692 !assign (resid 23 and name HG2#) (resid 23 and name HA ) 4.236 0.847 0.847 !assign (resid 23 and name HG1#) (resid 23 and name HA ) 3.501 0.700 0.700 !assign (resid 23 and name HG2#) (resid 23 and name HB ) 3.722 0.744 0.744 assign (resid 23 and name HG# ) (resid 27 and name HB# ) 5.830 1.166 1.166 assign (resid 23 and name HG# ) (resid 29 and name HG# ) 3.523 0.752 0.752 assign (resid 23 and name HG# ) (resid 35 and name HD# ) 6.854 1.371 1.146 assign (resid 23 and name HB ) (resid 55 and name HG1# ) 4.002 0.760 0.760 assign (resid 23 and name HG# ) (resid 55 and name HD1# ) 4.798 0.960 0.960 assign (resid 23 and name HG# ) (resid 55 and name HG2# ) 3.802 0.760 0.760 assign (resid 23 and name HG# ) (resid 58 and name HD1# ) 5.277 1.055 1.055 !Lys24 assign (resid 24 and name HN ) (resid 23 and name HG# ) 4.133 0.827 0.827 !assign (resid 24 and name HN ) (resid 23 and name HG1#) 4.027 0.805 0.805 !assign (resid 24 and name HN ) (resid 23 and name HG2#) 4.133 0.827 0.827 assign (resid 24 and name HN ) (resid 23 and name HA ) 2.571 0.514 0.514 assign (resid 24 and name HN ) (resid 23 and name HB ) 2.670 0.534 0.534 assign (resid 24 and name HN ) (resid 23 and name HN ) 3.912 0.782 0.782 assign (resid 24 and name HN ) (resid 24 and name HA ) 3.232 0.646 0.646 !assign (resid 24 and name HB# ) (resid 24 and name HA ) 3.145 0.629 0.629 !assign (resid 24 and name HN ) (resid 27 and name HB1 ) 3.193 0.639 0.639 !assign (resid 24 and name HN ) (resid 27 and name HB2 ) 3.798 0.760 0.760 assign (resid 24 and name HN ) (resid 27 and name HB# ) 3.798 0.760 0.760 !Glu25 assign (resid 25 and name HN ) (resid 24 and name HG# ) 3.930 0.786 0.786 !assign (resid 25 and name HN ) (resid 24 and name HG1 ) 3.930 0.786 0.786 !assign (resid 25 and name HN ) (resid 24 and name HG2 ) 3.842 0.768 0.768 assign (resid 25 and name HN ) (resid 24 and name HB# ) 2.605 0.521 0.521 assign (resid 25 and name HN ) (resid 24 and name HA ) 2.504 0.501 0.501 assign (resid 25 and name HN ) (resid 25 and name HB# ) 2.662 0.532 0.532 !assign (resid 25 and name HN ) (resid 25 and name HB1 ) 2.662 0.532 0.532 !assign (resid 25 and name HN ) (resid 25 and name HG# ) 2.829 0.566 0.566 !assign (resid 25 and name HN ) (resid 25 and name HG1 ) 2.829 0.566 0.566 assign (resid 25 and name HN ) (resid 25 and name HA ) 3.087 0.617 0.617 assign (resid 25 and name HB# ) (resid 26 and name HN ) 3.360 0.672 0.672 !assign (resid 25 and name HB2 ) (resid 26 and name HN ) 3.360 0.672 0.672 assign (resid 25 and name HA ) (resid 55 and name HB ) 3.805 0.761 0.761 assign (resid 25 and name HN ) (resid 55 and name HG2#) 4.611 0.922 0.922 assign (resid 25 and name HN ) (resid 58 and name HB ) 4.886 0.823 0.823 assign (resid 25 and name HN ) (resid 58 and name HD1#) 3.686 0.737 0.737 assign (resid 25 and name HN ) (resid 58 and name HG1#) 4.048 0.810 0.810 !assign (resid 25 and name HN ) (resid 58 and name HG11) 4.048 0.810 0.810 assign (resid 25 and name HB# ) (resid 58 and name HD1#) 4.197 0.839 0.839 assign (resid 25 and name HG# ) (resid 58 and name HD1#) 4.597 0.939 0.939 !assign (resid 25 and name HG1 ) (resid 58 and name HD1#) 4.197 0.839 0.839 !Gly26 assign (resid 26 and name HN ) (resid 25 and name HA ) 2.381 0.476 0.476 !assign (resid 26 and name HN ) (resid 26 and name HA1 ) 3.014 0.603 0.603 assign (resid 26 and name HN ) (resid 55 and name HB ) 2.984 0.597 0.597 assign (resid 26 and name HN ) (resid 56 and name HA ) 4.411 0.882 0.882 !Asp27 assign (resid 27 and name HN ) (resid 24 and name HN ) 3.912 0.782 0.782 assign (resid 27 and name HN ) (resid 26 and name HA# ) 3.217 0.643 0.643 !assign (resid 27 and name HN ) (resid 26 and name HA1 ) 3.217 0.643 0.643 !assign (resid 27 and name HN ) (resid 26 and name HA2 ) 3.171 0.634 0.634 assign (resid 27 and name HN ) (resid 26 and name HN ) 2.983 0.597 0.597 assign (resid 27 and name HN ) (resid 27 and name HA ) 3.070 0.614 0.614 !assign (resid 27 and name HN ) (resid 27 and name HB1 ) 2.697 0.539 0.539 !assign (resid 27 and name HN ) (resid 27 and name HB2 ) 3.127 0.625 0.625 assign (resid 27 and name HN ) (resid 27 and name HB# ) 3.127 0.625 0.625 assign (resid 27 and name HB# ) (resid 28 and name HN ) 3.468 0.694 0.694 !assign (resid 27 and name HB1 ) (resid 28 and name HN ) 3.468 0.694 0.694 !assign (resid 27 and name HB2 ) (resid 28 and name HN ) 2.718 0.544 0.544 assign (resid 27 and name HN ) (resid 28 and name HN ) 4.031 0.806 0.806 assign (resid 27 and name HA ) (resid 28 and name HN ) 2.482 0.496 0.496 assign (resid 27 and name HN ) (resid 55 and name HN ) 3.758 0.752 0.752 assign (resid 27 and name HN ) (resid 55 and name HG1#) 3.849 0.770 0.770 !assign (resid 27 and name HN ) (resid 55 and name HG12) 3.849 0.770 0.770 assign (resid 27 and name HN ) (resid 55 and name HD1#) 4.650 0.930 0.930 assign (resid 27 and name HN ) (resid 55 and name HG2#) 4.461 0.892 0.892 assign (resid 27 and name HN ) (resid 55 and name HB ) 3.021 0.604 0.604 !Met28 assign (resid 28 and name HB# ) (resid 28 and name HN ) 3.119 0.624 0.624 !assign (resid 28 and name HB2 ) (resid 28 and name HN ) 3.119 0.624 0.624 !assign (resid 28 and name HB1 ) (resid 28 and name HN ) 2.858 0.572 0.572 assign (resid 28 and name HN ) (resid 28 and name HA ) 3.167 0.633 0.633 assign (resid 28 and name HB# ) (resid 54 and name HA ) 4.119 0.824 0.824 assign (resid 28 and name HA ) (resid 54 and name HG# ) 4.870 0.934 0.934 assign (resid 28 and name HA ) (resid 55 and name HN ) 3.670 0.634 0.634 assign (resid 28 and name HA ) (resid 55 and name HB ) 5.070 0.834 0.834 assign (resid 28 and name HA ) (resid 55 and name HD1#) 5.670 1.134 1.134 assign (resid 28 and name HA ) (resid 55 and name HG1#) 4.270 0.834 0.834 !Val29 !assign (resid 29 and name HN ) (resid 28 and name HB1 ) 3.186 0.637 0.637 !assign (resid 29 and name HN ) (resid 28 and name HB2 ) 3.501 0.700 0.700 assign (resid 29 and name HN ) (resid 28 and name HB# ) 3.501 0.700 0.700 assign (resid 29 and name HN ) (resid 28 and name HG# ) 3.697 0.739 0.739 !assign (resid 29 and name HN ) (resid 28 and name HG1 ) 3.697 0.739 0.739 assign (resid 29 and name HN ) (resid 28 and name HN ) 4.468 0.894 0.894 assign (resid 29 and name HN ) (resid 28 and name HA ) 2.423 0.485 0.485 assign (resid 29 and name HN ) (resid 29 and name HG# ) 3.186 0.637 0.637 assign (resid 29 and name HN ) (resid 29 and name HA ) 3.098 0.620 0.620 !assign (resid 29 and name HA ) (resid 29 and name HG# ) 3.891 0.778 0.778 assign (resid 29 and name HN ) (resid 30 and name HN ) 3.689 0.738 0.738 assign (resid 29 and name HA ) (resid 30 and name HN ) 2.491 0.498 0.498 assign (resid 29 and name HN ) (resid 54 and name HA ) 4.091 0.780 0.780 assign (resid 29 and name HN ) (resid 55 and name HG1#) 3.891 0.778 0.778 assign (resid 29 and name HN ) (resid 55 and name HD1#) 4.891 0.978 0.978 !assign (resid 29 and name HG# ) (resid 55 and name HD1#) 7.332 1.466 0.668 !assign (resid 29 and name HG# ) (resid 75 and name HG2#) 6.020 1.204 1.204 !Glu30 assign (resid 30 and name HN ) (resid 29 and name HB ) 3.732 0.546 0.546 !assign (resid 30 and name HN ) (resid 29 and name HG# ) 5.095 0.839 0.839 assign (resid 30 and name HA ) (resid 30 and name HN ) 2.808 0.562 0.562 !assign (resid 30 and name HB1 ) (resid 30 and name HN ) 2.881 0.576 0.576 !assign (resid 30 and name HB2 ) (resid 30 and name HN ) 2.731 0.546 0.546 !assign (resid 30 and name HG2 ) (resid 30 and name HN ) 3.231 0.646 0.646 !assign (resid 30 and name HG1 ) (resid 30 and name HN ) 3.303 0.661 0.661 !assign (resid 30 and name HB2 ) (resid 30 and name HA ) 3.731 0.746 0.746 !assign (resid 30 and name HB1 ) (resid 30 and name HA ) 3.475 0.695 0.695 !Lys31 assign (resid 31 and name HN ) (resid 30 and name HA ) 2.644 0.529 0.529 !assign (resid 31 and name HN ) (resid 30 and name HB1 ) 2.902 0.580 0.580 !assign (resid 31 and name HN ) (resid 30 and name HB2 ) 3.292 0.658 0.658 assign (resid 31 and name HN ) (resid 30 and name HB# ) 3.292 0.658 0.658 assign (resid 31 and name HN ) (resid 30 and name HG# ) 3.608 0.722 0.722 !assign (resid 31 and name HN ) (resid 30 and name HG1 ) 3.608 0.722 0.722 !assign (resid 31 and name HN ) (resid 30 and name HG2 ) 3.702 0.740 0.740 assign (resid 31 and name HN ) (resid 31 and name HA ) 3.240 0.648 0.648 !assign (resid 31 and name HN ) (resid 31 and name HG1 ) 3.567 0.713 0.713 !assign (resid 31 and name HN ) (resid 31 and name HG2 ) 3.861 0.772 0.772 assign (resid 31 and name HN ) (resid 31 and name HG# ) 3.861 0.772 0.772 !assign (resid 31 and name HN ) (resid 31 and name HB1 ) 2.615 0.523 0.523 !assign (resid 31 and name HN ) (resid 31 and name HB2 ) 2.803 0.561 0.561 assign (resid 31 and name HN ) (resid 31 and name HB# ) 2.803 0.561 0.561 assign (resid 31 and name HN ) (resid 32 and name HN ) 4.621 0.864 0.864 !Asp32 !assign (resid 32 and name HN ) (resid 31 and name HB1 ) 3.298 0.660 0.660 !assign (resid 32 and name HN ) (resid 31 and name HB2 ) 3.648 0.730 0.730 assign (resid 32 and name HN ) (resid 31 and name HB# ) 3.948 0.830 0.830 assign (resid 32 and name HN ) (resid 31 and name HG# ) 3.393 0.679 0.679 !assign (resid 32 and name HN ) (resid 31 and name HG1 ) 3.393 0.679 0.679 !assign (resid 32 and name HN ) (resid 31 and name HG2 ) 3.447 0.689 0.689 assign (resid 32 and name HN ) (resid 31 and name HA ) 2.866 0.593 0.593 assign (resid 32 and name HN ) (resid 32 and name HB# ) 4.187 0.877 0.877 !assign (resid 32 and name HN ) (resid 32 and name HB1 ) 3.887 0.777 0.777 assign (resid 32 and name HN ) (resid 32 and name HA ) 2.634 0.527 0.527 assign (resid 32 and name HN ) (resid 33 and name HN ) 3.621 0.704 0.704 assign (resid 32 and name HA ) (resid 48 and name HB# ) 3.780 0.756 0.756 !assign (resid 32 and name HN ) (resid 49 and name HA ) 4.876 0.915 0.915 assign (resid 32 and name HA ) (resid 49 and name HN ) 4.238 0.748 0.748 assign (resid 32 and name HN ) (resid 49 and name HB# ) 4.340 0.868 0.868 assign (resid 32 and name HN ) (resid 51 and name HN ) 5.035 0.927 0.927 !Gln33 !assign (resid 33 and name HN ) (resid 32 and name HB2 ) 3.931 0.786 0.786 assign (resid 33 and name HN ) (resid 32 and name HB# ) 3.931 0.786 0.786 assign (resid 33 and name HN ) (resid 33 and name HG# ) 3.419 0.684 0.684 assign (resid 33 and name HN ) (resid 33 and name HA ) 2.844 0.569 0.569 assign (resid 33 and name HN ) (resid 33 and name HB# ) 2.513 0.503 0.503 assign (resid 33 and name HN ) (resid 34 and name HN ) 4.654 0.871 0.871 !assign (resid 33 and name HN ) (resid 49 and name HA ) 4.521 0.884 0.884 assign (resid 33 and name HN ) (resid 49 and name HB# ) 3.773 0.755 0.755 !Asp34 assign (resid 34 and name HN ) (resid 33 and name HA ) 3.023 0.585 0.585 !assign (resid 34 and name HN ) (resid 33 and name HB# ) 3.430 0.686 0.686 assign (resid 34 and name HN ) (resid 34 and name HB# ) 2.472 0.494 0.494 assign (resid 34 and name HN ) (resid 34 and name HA ) 3.071 0.614 0.614 !assign (resid 34 and name HA ) (resid 36 and name HN ) 3.753 0.751 0.751 !assign (resid 34 and name HA ) (resid 48 and name HA ) 3.787 0.737 0.737 !Leu35 assign (resid 35 and name HN ) (resid 34 and name HA ) 2.591 0.518 0.518 assign (resid 35 and name HN ) (resid 34 and name HB# ) 3.384 0.677 0.677 assign (resid 35 and name HN ) (resid 35 and name HB# ) 3.391 0.678 0.678 !assign (resid 35 and name HN ) (resid 35 and name HB1 ) 3.391 0.678 0.678 !assign (resid 35 and name HN ) (resid 35 and name HB2 ) 2.921 0.584 0.584 assign (resid 35 and name HN ) (resid 35 and name HA ) 3.219 0.644 0.644 assign (resid 35 and name HN ) (resid 35 and name HG ) 3.592 0.818 0.818 assign (resid 35 and name HN ) (resid 35 and name HD# ) 4.361 0.872 0.872 !assign (resid 35 and name HN ) (resid 35 and name HD1#) 4.361 0.872 0.872 !assign (resid 35 and name HN ) (resid 35 and name HD2#) 4.582 0.916 0.916 !assign (resid 35 and name HN ) (resid 48 and name HA ) 4.036 0.727 0.727 !assign (resid 35 and name HD# ) (resid 49 and name HA ) 5.252 1.050 1.050 !assign (resid 35 and name HD# ) (resid 49 and name HN ) 4.532 0.906 0.906 !assign (resid 35 and name HD# ) (resid 49 and name HB# ) 4.715 0.943 0.943 !assign (resid 35 and name HD# ) (resid 50 and name HD# ) 5.408 1.082 1.082 !Val36 !assign (resid 36 and name HG2#) (resid 18 and name HG2#) 4.518 0.904 0.904 !assign (resid 36 and name HG# ) (resid 18 and name HG2#) 4.518 0.904 0.904 assign (resid 36 and name HG# ) (resid 20 and name HN ) 4.290 0.858 0.858 !assign (resid 36 and name HG2#) (resid 20 and name HN ) 4.290 0.858 0.858 assign (resid 36 and name HB ) (resid 21 and name HZ3 ) 3.157 0.631 0.631 !assign (resid 36 and name HG1#) (resid 21 and name HZ3 ) 5.021 1.004 1.004 !assign (resid 36 and name HG2#) (resid 21 and name HZ3 ) 5.900 1.180 1.180 assign (resid 36 and name HG# ) (resid 21 and name HZ3 ) 4.900 0.880 0.880 assign (resid 36 and name HG# ) (resid 21 and name HE3 ) 4.875 0.895 0.895 !assign (resid 36 and name HG2#) (resid 21 and name HE3 ) 5.475 1.095 1.095 assign (resid 36 and name HB ) (resid 21 and name HE3 ) 3.306 0.661 0.661 !assign (resid 36 and name HN ) (resid 35 and name HN ) 2.679 0.536 0.536 assign (resid 36 and name HN ) (resid 35 and name HB# ) 3.229 0.646 0.646 !assign (resid 36 and name HN ) (resid 35 and name HB1 ) 3.229 0.646 0.646 assign (resid 36 and name HN ) (resid 35 and name HG ) 4.061 0.732 0.732 !assign (resid 36 and name HN ) (resid 35 and name HD# ) 5.261 1.052 1.052 !assign (resid 36 and name HN ) (resid 35 and name HD1#) 5.261 1.052 1.052 !assign (resid 36 and name HN ) (resid 35 and name HD2#) 4.569 0.914 0.914 !assign (resid 36 and name HN ) (resid 36 and name HB ) 2.788 0.558 0.558 !assign (resid 36 and name HN ) (resid 36 and name HG1#) 3.324 0.665 0.665 !assign (resid 36 and name HN ) (resid 36 and name HG2#) 4.453 0.891 0.891 assign (resid 36 and name HN ) (resid 36 and name HA ) 3.125 0.625 0.625 !assign (resid 36 and name HG# ) (resid 37 and name HN ) 5.080 0.956 0.956 !assign (resid 36 and name HG1#) (resid 37 and name HN ) 4.280 0.856 0.856 !assign (resid 36 and name HG2#) (resid 37 and name HN ) 3.254 0.651 0.651 assign (resid 36 and name HN ) (resid 37 and name HN ) 4.099 0.820 0.820 !assign (resid 36 and name HN ) (resid 47 and name HD1#) 5.521 1.104 1.104 assign (resid 36 and name HG# ) (resid 47 and name HB ) 4.000 0.810 0.810 assign (resid 36 and name HG# ) (resid 47 and name HD1#) 4.521 0.854 0.854 !Glu37 assign (resid 37 and name HN ) (resid 36 and name HA ) 2.548 0.510 0.510 assign (resid 37 and name HN ) (resid 37 and name HG# ) 3.600 0.720 0.720 !assign (resid 37 and name HN ) (resid 37 and name HG1 ) 3.600 0.720 0.720 assign (resid 37 and name HN ) (resid 37 and name HB# ) 2.660 0.532 0.532 assign (resid 37 and name HA ) (resid 37 and name HN ) 3.387 0.677 0.677 !assign (resid 37 and name HA ) (resid 37 and name HG1 ) 3.855 0.771 0.771 assign (resid 37 and name HA ) (resid 38 and name HN ) 2.464 0.493 0.493 assign (resid 37 and name HA ) (resid 46 and name HA ) 3.452 0.690 0.690 !assign (resid 37 and name HA ) (resid 67 and name HB# ) 4.573 0.915 0.915 !assign (resid 37 and name HA ) (resid 67 and name HB2 ) 4.573 0.915 0.915 !Val38 assign (resid 38 and name HA ) (resid 19 and name HN ) 3.069 0.614 0.614 assign (resid 38 and name HA ) (resid 19 and name HG# ) 4.259 0.852 0.852 !assign (resid 38 and name HA ) (resid 19 and name HG2#) 4.259 0.852 0.852 assign (resid 38 and name HA ) (resid 20 and name HN ) 4.112 0.822 0.822 assign (resid 38 and name HN ) (resid 37 and name HG# ) 3.397 0.679 0.679 !assign (resid 38 and name HN ) (resid 37 and name HG1 ) 3.397 0.679 0.679 !assign (resid 38 and name HN ) (resid 37 and name HG2 ) 3.076 0.615 0.615 !assign (resid 38 and name HG# ) (resid 38 and name HN ) 3.663 0.733 0.733 assign (resid 38 and name HA ) (resid 38 and name HN ) 3.248 0.650 0.650 assign (resid 38 and name HN ) (resid 38 and name HB ) 2.955 0.591 0.591 !assign (resid 38 and name HG1#) (resid 38 and name HA ) 3.871 0.774 0.774 !assign (resid 38 and name HG2#) (resid 38 and name HA ) 3.635 0.727 0.727 assign (resid 38 and name HN ) (resid 45 and name HG# ) 4.066 0.813 0.813 !assign (resid 38 and name HN ) (resid 45 and name HG2#) 4.066 0.813 0.813 assign (resid 38 and name HN ) (resid 45 and name HA ) 5.024 1.005 1.005 assign (resid 38 and name HG# ) (resid 45 and name HN ) 4.773 0.955 0.955 assign (resid 38 and name HG# ) (resid 46 and name HN ) 5.392 1.078 1.078 assign (resid 38 and name HN ) (resid 46 and name HA ) 3.441 0.688 0.688 !assign (resid 38 and name HG2#) (resid 46 and name HN ) 5.392 1.078 1.078 assign (resid 38 and name HB ) (resid 47 and name HD1#) 3.762 0.712 0.712 assign (resid 38 and name HG# ) (resid 47 and name HG1#) 4.062 0.912 0.912 !Met39 assign (resid 39 and name HN ) (resid 16 and name HA# ) 5.195 0.939 0.939 assign (resid 39 and name HN ) (resid 17 and name HN ) 3.195 0.639 0.639 assign (resid 39 and name HN ) (resid 18 and name HA ) 3.797 0.759 0.759 assign (resid 39 and name HN ) (resid 19 and name HN ) 3.696 0.739 0.739 assign (resid 39 and name HN ) (resid 19 and name HG# ) 3.626 0.725 0.725 !assign (resid 39 and name HN ) (resid 19 and name HG2#) 3.626 0.725 0.725 assign (resid 39 and name HG1 ) (resid 19 and name HG# ) 4.733 0.947 0.947 !assign (resid 39 and name HG1 ) (resid 19 and name HG2#) 4.733 0.947 0.947 assign (resid 39 and name HG2 ) (resid 19 and name HG# ) 4.795 0.959 0.959 !assign (resid 39 and name HG2 ) (resid 19 and name HG2#) 4.795 0.959 0.959 assign (resid 39 and name HN ) (resid 38 and name HA ) 2.497 0.499 0.499 assign (resid 39 and name HN ) (resid 38 and name HG# ) 3.572 0.714 0.714 !assign (resid 39 and name HN ) (resid 38 and name HG2#) 3.572 0.714 0.714 assign (resid 39 and name HN ) (resid 38 and name HB ) 3.310 0.662 0.662 !assign (resid 39 and name HN ) (resid 39 and name HB1 ) 2.922 0.584 0.584 !assign (resid 39 and name HN ) (resid 39 and name HB2 ) 2.905 0.581 0.581 assign (resid 39 and name HN ) (resid 39 and name HA ) 3.354 0.671 0.671 !assign (resid 39 and name HN ) (resid 39 and name HG2 ) 3.667 0.733 0.733 !assign (resid 39 and name HN ) (resid 39 and name HG1 ) 3.811 0.762 0.762 !assign (resid 39 and name HA ) (resid 39 and name HB1 ) 3.618 0.724 0.724 !assign (resid 39 and name HA ) (resid 39 and name HB2 ) 3.755 0.751 0.751 assign (resid 39 and name HN ) (resid 40 and name HN ) 4.014 0.803 0.803 assign (resid 39 and name HA ) (resid 43 and name HN ) 3.819 0.764 0.764 assign (resid 39 and name HG# ) (resid 44 and name HA ) 4.795 0.959 0.959 !Thr40 !assign (resid 40 and name HN ) (resid 39 and name HG1 ) 3.165 0.633 0.633 !assign (resid 40 and name HN ) (resid 39 and name HB2 ) 3.381 0.676 0.676 assign (resid 40 and name HN ) (resid 39 and name HA ) 2.379 0.476 0.476 assign (resid 40 and name HN ) (resid 40 and name HA ) 3.336 0.667 0.667 assign (resid 40 and name HN ) (resid 40 and name HB ) 3.968 0.794 0.794 !assign (resid 40 and name HN ) (resid 40 and name HG2#) 4.021 0.784 0.784 !assign (resid 40 and name HA ) (resid 40 and name HG2#) 4.475 0.895 0.895 !assign (resid 40 and name HG2#) (resid 40 and name HB ) 3.865 0.773 0.773 assign (resid 40 and name HB ) (resid 41 and name HN ) 4.015 0.803 0.803 assign (resid 40 and name HN ) (resid 43 and name HG# ) 4.072 0.814 0.814 !Asp41 assign (resid 41 and name HN ) (resid 40 and name HA ) 4.006 0.801 0.801 assign (resid 41 and name HN ) (resid 41 and name HA ) 4.139 0.828 0.828 !Lys42 !assign (resid 42 and name HA ) (resid 42 and name HN ) 4.597 0.839 0.839 assign (resid 41 and name HA ) (resid 42 and name HN ) 3.697 0.739 0.739 assign (resid 42 and name HB2 ) (resid 42 and name HN ) 4.176 0.835 0.835 assign (resid 42 and name HB1 ) (resid 42 and name HN ) 4.266 0.853 0.853 !assign (resid 42 and name HB1 ) (resid 42 and name HG1 ) 3.626 0.725 0.725 !assign (resid 42 and name HB2 ) (resid 42 and name HG1 ) 3.509 0.702 0.702 !Val43 assign (resid 43 and name HA ) (resid 40 and name HG2#) 4.512 0.902 0.902 assign (resid 43 and name HN ) (resid 40 and name HN ) 3.302 0.660 0.660 assign (resid 43 and name HG# ) (resid 40 and name HA ) 4.826 0.965 0.965 assign (resid 43 and name HN ) (resid 42 and name HN ) 3.263 0.653 0.653 assign (resid 43 and name HN ) (resid 42 and name HB# ) 3.565 0.713 0.713 !assign (resid 43 and name HN ) (resid 42 and name HB1 ) 3.565 0.713 0.713 !assign (resid 43 and name HN ) (resid 42 and name HB2 ) 3.430 0.686 0.686 assign (resid 43 and name HN ) (resid 42 and name HA ) 3.400 0.680 0.680 !assign (resid 43 and name HN ) (resid 43 and name HG2#) 3.371 0.674 0.674 assign (resid 43 and name HN ) (resid 43 and name HA ) 2.600 0.520 0.520 assign (resid 43 and name HN ) (resid 43 and name HB ) 3.393 0.679 0.679 assign (resid 43 and name HN ) (resid 43 and name HG# ) 3.421 0.684 0.684 !assign (resid 43 and name HN ) (resid 43 and name HG1#) 3.421 0.684 0.684 !assign (resid 43 and name HG1#) (resid 43 and name HA ) 4.422 0.884 0.884 !assign (resid 43 and name HG2#) (resid 43 and name HB ) 3.680 0.736 0.736 !assign (resid 43 and name HG1#) (resid 43 and name HB ) 3.881 0.776 0.776 !Thr44 assign (resid 44 and name HG2#) (resid 38 and name HN ) 4.653 0.931 0.931 !assign (resid 44 and name HN ) (resid 43 and name HG# ) 4.562 0.772 0.772 !assign (resid 44 and name HN ) (resid 43 and name HG2#) 3.862 0.772 0.772 !assign (resid 44 and name HN ) (resid 43 and name HG1#) 3.968 0.794 0.794 assign (resid 44 and name HN ) (resid 43 and name HB ) 3.221 0.644 0.644 assign (resid 44 and name HN ) (resid 43 and name HA ) 2.376 0.475 0.475 assign (resid 44 and name HN ) (resid 44 and name HG2#) 4.795 0.959 0.959 assign (resid 44 and name HN ) (resid 44 and name HB ) 3.520 0.704 0.704 assign (resid 44 and name HN ) (resid 44 and name HA ) 3.489 0.698 0.698 !assign (resid 44 and name HG2#) (resid 44 and name HB ) 3.693 0.739 0.739 !assign (resid 44 and name HG2#) (resid 44 and name HA ) 3.681 0.736 0.736 assign (resid 44 and name HG2#) (resid 45 and name HN ) 3.898 0.780 0.780 !Val45 assign (resid 45 and name HN ) (resid 38 and name HN ) 4.037 0.807 0.807 assign (resid 45 and name HN ) (resid 44 and name HA ) 2.428 0.486 0.486 assign (resid 45 and name HN ) (resid 44 and name HB ) 3.317 0.663 0.663 assign (resid 45 and name HN ) (resid 45 and name HA ) 3.276 0.655 0.655 assign (resid 45 and name HB ) (resid 45 and name HN ) 3.282 0.656 0.656 !assign (resid 45 and name HN ) (resid 45 and name HG# ) 3.997 0.799 0.799 !Lys46 assign (resid 46 and name HN ) (resid 37 and name HA ) 4.548 0.910 0.910 assign (resid 46 and name HN ) (resid 45 and name HA ) 2.414 0.483 0.483 assign (resid 46 and name HN ) (resid 45 and name HB ) 3.351 0.670 0.670 assign (resid 46 and name HN ) (resid 45 and name HN ) 4.508 0.902 0.902 assign (resid 46 and name HN ) (resid 45 and name HG# ) 3.993 0.739 0.739 !assign (resid 46 and name HN ) (resid 46 and name HG1 ) 3.417 0.683 0.683 !assign (resid 46 and name HN ) (resid 46 and name HB2 ) 2.861 0.572 0.572 !assign (resid 46 and name HN ) (resid 46 and name HB1 ) 3.028 0.606 0.606 assign (resid 46 and name HN ) (resid 46 and name HA ) 3.231 0.646 0.646 assign (resid 46 and name HN ) (resid 46 and name HG# ) 3.393 0.679 0.679 !assign (resid 46 and name HN ) (resid 46 and name HG2 ) 3.393 0.679 0.679 assign (resid 46 and name HA ) (resid 47 and name HD1#) 5.298 1.060 1.060 !Ile47 !assign (resid 47 and name HB ) (resid 6 and name HD# ) 4.656 0.931 0.931 !assign (resid 47 and name HB ) (resid 6 and name HD1#) 4.656 0.931 0.931 assign (resid 47 and name HD1#) (resid 7 and name HD# ) 4.229 0.846 0.846 !assign (resid 47 and name HD1#) (resid 7 and name HD2 ) 4.229 0.846 0.846 !assign (resid 47 and name HD1#) (resid 7 and name HD1 ) 4.277 0.855 0.855 assign (resid 47 and name HN ) (resid 36 and name HG# ) 3.839 0.768 0.768 !assign (resid 47 and name HN ) (resid 36 and name HG1#) 3.839 0.768 0.768 assign (resid 47 and name HN ) (resid 36 and name HN ) 3.340 0.668 0.668 assign (resid 47 and name HN ) (resid 37 and name HA ) 3.504 0.701 0.701 !assign (resid 47 and name HN ) (resid 46 and name HB1 ) 3.301 0.660 0.660 !assign (resid 47 and name HN ) (resid 46 and name HB2 ) 3.920 0.784 0.784 assign (resid 47 and name HN ) (resid 46 and name HB# ) 3.920 0.784 0.784 assign (resid 47 and name HN ) (resid 46 and name HA ) 2.481 0.496 0.496 assign (resid 47 and name HN ) (resid 47 and name HD1#) 4.258 0.852 0.852 assign (resid 47 and name HN ) (resid 47 and name HA ) 3.461 0.692 0.692 !assign (resid 47 and name HN ) (resid 47 and name HG12) 3.062 0.612 0.612 !assign (resid 47 and name HN ) (resid 47 and name HG11) 3.230 0.646 0.646 assign (resid 47 and name HN ) (resid 47 and name HB ) 2.802 0.560 0.560 assign (resid 47 and name HA ) (resid 47 and name HD1#) 4.511 0.902 0.902 !assign (resid 47 and name HA ) (resid 47 and name HG2#) 3.909 0.782 0.782 !assign (resid 47 and name HA ) (resid 48 and name HD1 ) 3.172 0.634 0.634 !assign (resid 47 and name HA ) (resid 48 and name HD2 ) 3.168 0.634 0.634 !Pro48 assign (resid 48 and name HA ) (resid 34 and name HN ) 4.339 0.868 0.868 !assign (resid 48 and name HA ) (resid 48 and name HB1 ) 3.655 0.731 0.731 !assign (resid 48 and name HA ) (resid 48 and name HB2 ) 3.597 0.719 0.719 !assign (resid 48 and name HB1 ) (resid 48 and name HB2 ) 2.797 0.559 0.559 !assign (resid 48 and name HD1 ) (resid 48 and name HD2 ) 2.698 0.540 0.540 assign (resid 48 and name HA ) (resid 49 and name HN ) 2.636 0.527 0.527 !Ser49 assign (resid 49 and name HB# ) (resid 31 and name HA ) 3.570 0.714 0.714 assign (resid 49 and name HN ) (resid 33 and name HN ) 3.570 0.714 0.714 assign (resid 49 and name HN ) (resid 48 and name HB# ) 4.049 0.790 0.790 !assign (resid 49 and name HN ) (resid 48 and name HB2 ) 3.449 0.690 0.690 !assign (resid 49 and name HN ) (resid 48 and name HB1 ) 3.340 0.668 0.668 assign (resid 49 and name HN ) (resid 48 and name HA ) 2.638 0.528 0.528 !assign (resid 49 and name HB# ) (resid 51 and name HN ) 3.987 0.797 0.797 !Pro50 !assign (resid 50 and name HD2 ) (resid 8 and name HA ) 3.148 0.630 0.630 !assign (resid 50 and name HD1 ) (resid 8 and name HA ) 3.169 0.634 0.634 !assign (resid 50 and name HD2 ) (resid 50 and name HG2 ) 3.440 0.688 0.688 !assign (resid 50 and name HD1 ) (resid 50 and name HG2 ) 3.487 0.697 0.697 !assign (resid 50 and name HD1 ) (resid 50 and name HG1 ) 3.577 0.715 0.715 !assign (resid 50 and name HD2 ) (resid 50 and name HG1 ) 3.771 0.754 0.754 !Val51 !assign (resid 51 and name HG2#) (resid 2 and name HD# ) 6.000 1.200 1.200 !assign (resid 51 and name HG1#) (resid 2 and name HD# ) 5.990 1.198 1.198 assign (resid 51 and name HG# ) (resid 2 and name HD# ) 4.990 0.898 0.898 assign (resid 51 and name HG# ) (resid 4 and name HA ) 4.600 0.800 0.800 assign (resid 51 and name HG# ) (resid 4 and name HB# ) 4.500 0.800 0.800 !assign (resid 51 and name HG# ) (resid 4 and name HE# ) 8.000 1.600 0.000 !assign (resid 51 and name HG2#) (resid 4 and name HE# ) 8.000 1.600 0.000 !assign (resid 51 and name HN ) (resid 8 and name HA ) 3.252 0.650 0.650 assign (resid 51 and name HN ) (resid 50 and name HA ) 3.950 0.850 0.850 !assign (resid 51 and name HN ) (resid 50 and name HB2 ) 3.865 0.773 0.773 !assign (resid 51 and name HN ) (resid 50 and name HB1 ) 4.014 0.803 0.803 assign (resid 51 and name HN ) (resid 50 and name HB# ) 4.014 0.803 0.803 !assign (resid 51 and name HN ) (resid 50 and name HG1 ) 3.673 0.735 0.735 assign (resid 51 and name HN ) (resid 50 and name HG# ) 3.673 0.735 0.735 assign (resid 51 and name HN ) (resid 50 and name HD# ) 3.796 0.759 0.759 !assign (resid 51 and name HN ) (resid 50 and name HD2 ) 3.796 0.759 0.759 !assign (resid 51 and name HN ) (resid 50 and name HD1 ) 3.173 0.635 0.635 assign (resid 51 and name HN ) (resid 51 and name HA ) 3.233 0.647 0.647 assign (resid 51 and name HN ) (resid 51 and name HB ) 3.707 0.741 0.741 !assign (resid 51 and name HB ) (resid 51 and name HG1#) 3.522 0.704 0.704 !assign (resid 51 and name HA ) (resid 51 and name HG1#) 4.690 0.938 0.938 !assign (resid 51 and name HA ) (resid 51 and name HG2#) 3.778 0.756 0.756 !assign (resid 51 and name HN ) (resid 51 and name HG1#) 3.343 0.669 0.669 !assign (resid 51 and name HN ) (resid 51 and name HG2#) 3.749 0.750 0.750 !assign (resid 51 and name HB ) (resid 51 and name HG2#) 3.475 0.695 0.695 !assign (resid 51 and name HN ) (resid 52 and name HA ) 4.634 0.727 0.727 assign (resid 51 and name HG# ) (resid 75 and name HD1#) 4.739 0.948 0.948 !assign (resid 51 and name HG1#) (resid 75 and name HD1#) 4.739 0.948 0.948 assign (resid 51 and name HB ) (resid 75 and name HG1#) 5.320 1.064 1.064 assign (resid 51 and name HA ) (resid 75 and name HG2#) 5.320 1.064 1.064 !Arg52 assign (resid 52 and name HN ) (resid 51 and name HA ) 2.968 0.594 0.594 assign (resid 52 and name HN ) (resid 51 and name HG# ) 3.866 0.773 0.773 !assign (resid 52 and name HN ) (resid 51 and name HG1#) 3.866 0.773 0.773 !assign (resid 52 and name HN ) (resid 51 and name HG2#) 3.862 0.772 0.772 assign (resid 52 and name HN ) (resid 51 and name HB ) 3.584 0.717 0.717 assign (resid 52 and name HN ) (resid 52 and name HB# ) 2.739 0.548 0.548 !assign (resid 52 and name HN ) (resid 52 and name HB1 ) 2.739 0.548 0.548 assign (resid 52 and name HA ) (resid 75 and name HD1#) 5.096 1.019 1.019 !Gly53 assign (resid 53 and name HN ) (resid 29 and name HN ) 3.098 0.620 0.620 assign (resid 53 and name HN ) (resid 29 and name HG# ) 3.365 0.673 0.673 assign (resid 53 and name HN ) (resid 30 and name HA ) 3.925 0.785 0.785 !assign (resid 53 and name HN ) (resid 52 and name HG1 ) 3.334 0.667 0.667 !assign (resid 53 and name HN ) (resid 52 and name HG2 ) 3.362 0.672 0.672 assign (resid 53 and name HN ) (resid 52 and name HG# ) 3.362 0.672 0.672 assign (resid 53 and name HN ) (resid 52 and name HB# ) 3.662 0.732 0.732 !assign (resid 53 and name HN ) (resid 52 and name HB1 ) 3.662 0.732 0.732 !assign (resid 53 and name HN ) (resid 52 and name HB2 ) 3.349 0.670 0.670 assign (resid 53 and name HN ) (resid 52 and name HD# ) 4.016 0.803 0.803 assign (resid 53 and name HN ) (resid 52 and name HA ) 2.452 0.490 0.490 assign (resid 53 and name HN ) (resid 53 and name HA# ) 2.959 0.592 0.592 !assign (resid 53 and name HN ) (resid 53 and name HA2 ) 3.113 0.623 0.623 assign (resid 53 and name HN ) (resid 75 and name HG2#) 4.388 0.878 0.878 assign (resid 53 and name HA# ) (resid 75 and name HG2#) 4.172 0.834 0.834 !assign (resid 53 and name HA1 ) (resid 75 and name HG2#) 4.172 0.834 0.834 !assign (resid 53 and name HA2 ) (resid 75 and name HG2#) 3.997 0.799 0.799 !Lys54 !assign (resid 54 and name HN ) (resid 27 and name HN ) 3.984 0.797 0.797 assign (resid 54 and name HN ) (resid 53 and name HA# ) 2.852 0.570 0.570 !assign (resid 54 and name HN ) (resid 53 and name HA1 ) 2.852 0.570 0.570 !assign (resid 54 and name HN ) (resid 53 and name HA2 ) 2.742 0.548 0.548 assign (resid 54 and name HN ) (resid 54 and name HA ) 3.141 0.628 0.628 assign (resid 54 and name HN ) (resid 54 and name HB# ) 2.600 0.520 0.520 assign (resid 54 and name HN ) (resid 54 and name HG# ) 3.732 0.746 0.746 !assign (resid 54 and name HN ) (resid 54 and name HG1 ) 3.732 0.746 0.746 assign (resid 54 and name HA ) (resid 54 and name HB# ) 3.223 0.645 0.645 assign (resid 54 and name HN ) (resid 55 and name HN ) 3.894 0.779 0.779 assign (resid 54 and name HN ) (resid 75 and name HA ) 3.906 0.781 0.781 assign (resid 54 and name HN ) (resid 75 and name HG2#) 3.577 0.715 0.715 assign (resid 54 and name HN ) (resid 76 and name HN ) 3.288 0.658 0.658 !assign (resid 54 and name HN ) (resid 76 and name HB2 ) 3.467 0.693 0.693 !assign (resid 54 and name HN ) (resid 76 and name HB1 ) 3.827 0.765 0.765 assign (resid 54 and name HN ) (resid 76 and name HB# ) 3.827 0.765 0.765 assign (resid 54 and name HN ) (resid 77 and name HA ) 3.829 0.766 0.766 !Ile55 assign (resid 55 and name HG2#) (resid 25 and name HA ) 3.775 0.755 0.755 assign (resid 55 and name HG1#) (resid 25 and name HA ) 4.575 0.855 0.855 assign (resid 55 and name HN ) (resid 26 and name HN ) 4.762 0.952 0.952 assign (resid 55 and name HG2#) (resid 26 and name HN ) 3.971 0.794 0.794 assign (resid 55 and name HN ) (resid 29 and name HG# ) 4.445 0.889 0.889 !assign (resid 55 and name HN ) (resid 29 and name HG2#) 4.445 0.889 0.889 assign (resid 55 and name HN ) (resid 54 and name HB# ) 3.306 0.661 0.661 assign (resid 55 and name HN ) (resid 54 and name HG# ) 3.393 0.679 0.679 !assign (resid 55 and name HN ) (resid 54 and name HG1 ) 3.393 0.679 0.679 assign (resid 55 and name HN ) (resid 54 and name HA ) 2.500 0.500 0.500 !assign (resid 55 and name HN ) (resid 55 and name HD1#) 4.152 0.830 0.830 assign (resid 55 and name HN ) (resid 55 and name HG2#) 4.190 0.838 0.838 !assign (resid 55 and name HN ) (resid 55 and name HG11) 2.722 0.544 0.544 !assign (resid 55 and name HN ) (resid 55 and name HG12) 2.995 0.599 0.599 !assign (resid 55 and name HA ) (resid 55 and name HG2#) 3.919 0.784 0.784 !assign (resid 55 and name HA ) (resid 55 and name HD1#) 4.174 0.835 0.835 !assign (resid 55 and name HN ) (resid 55 and name HB ) 2.842 0.568 0.568 assign (resid 55 and name HA ) (resid 55 and name HN ) 3.332 0.666 0.666 assign (resid 55 and name HA ) (resid 57 and name HN ) 3.549 0.710 0.710 assign (resid 55 and name HD1#) (resid 75 and name HA ) 5.414 1.083 1.083 assign (resid 55 and name HA ) (resid 75 and name HA ) 3.716 0.743 0.743 assign (resid 55 and name HA ) (resid 75 and name HG1#) 3.716 0.743 0.743 assign (resid 55 and name HA ) (resid 75 and name HG2#) 3.716 0.743 0.743 assign (resid 55 and name HD1#) (resid 75 and name HD1#) 3.716 0.743 0.743 !Val56 assign (resid 56 and name HN ) (resid 55 and name HG2#) 3.819 0.764 0.764 assign (resid 56 and name HN ) (resid 55 and name HD1#) 4.136 0.827 0.827 assign (resid 56 and name HN ) (resid 55 and name HA ) 2.590 0.518 0.518 assign (resid 56 and name HN ) (resid 56 and name HB ) 2.919 0.584 0.584 assign (resid 56 and name HN ) (resid 56 and name HG# ) 3.420 0.684 0.684 !assign (resid 56 and name HN ) (resid 56 and name HG1#) 3.420 0.684 0.684 !assign (resid 56 and name HN ) (resid 56 and name HG2#) 3.374 0.675 0.675 assign (resid 56 and name HN ) (resid 56 and name HA ) 3.387 0.677 0.677 !assign (resid 56 and name HG1#) (resid 56 and name HA ) 3.786 0.757 0.757 !assign (resid 56 and name HG2#) (resid 56 and name HA ) 4.392 0.878 0.878 assign (resid 56 and name HN ) (resid 57 and name HN ) 2.733 0.547 0.547 assign (resid 56 and name HN ) (resid 74 and name HN ) 4.693 0.939 0.939 assign (resid 56 and name HN ) (resid 75 and name HG1#) 3.780 0.756 0.756 !assign (resid 56 and name HN ) (resid 75 and name HG12) 3.780 0.756 0.756 assign (resid 56 and name HN ) (resid 75 and name HA ) 3.186 0.637 0.637 assign (resid 56 and name HN ) (resid 75 and name HG2#) 4.816 0.963 0.963 assign (resid 56 and name HN ) (resid 76 and name HN ) 3.726 0.745 0.745 assign (resid 56 and name HG# ) (resid 76 and name HA ) 4.574 0.935 0.935 assign (resid 56 and name HG# ) (resid 76 and name HB# ) 4.174 0.835 0.835 !Lys57 assign (resid 57 and name HN ) (resid 25 and name HA ) 4.432 0.886 0.886 assign (resid 57 and name HN ) (resid 55 and name HG2#) 3.797 0.759 0.759 assign (resid 57 and name HN ) (resid 56 and name HG# ) 3.620 0.724 0.724 !assign (resid 57 and name HN ) (resid 56 and name HG1#) 3.794 0.759 0.759 !assign (resid 57 and name HN ) (resid 56 and name HG2#) 3.620 0.724 0.724 assign (resid 57 and name HN ) (resid 56 and name HA ) 3.510 0.702 0.702 assign (resid 57 and name HN ) (resid 56 and name HB ) 2.729 0.546 0.546 assign (resid 57 and name HA ) (resid 57 and name HN ) 3.182 0.636 0.636 assign (resid 57 and name HN ) (resid 57 and name HB# ) 2.934 0.587 0.587 assign (resid 57 and name HN ) (resid 58 and name HN ) 4.028 0.806 0.806 assign (resid 57 and name HA ) (resid 58 and name HN ) 2.393 0.479 0.479 assign (resid 57 and name HN ) (resid 73 and name HA ) 4.860 0.932 0.932 assign (resid 57 and name HN ) (resid 74 and name HB# ) 4.206 0.841 0.841 !Ile58 assign (resid 58 and name HD1#) (resid 24 and name HA ) 4.036 0.807 0.807 assign (resid 58 and name HN ) (resid 25 and name HG# ) 3.536 0.707 0.707 !assign (resid 58 and name HN ) (resid 25 and name HG1 ) 3.536 0.707 0.707 !assign (resid 58 and name HN ) (resid 25 and name HG2 ) 3.272 0.654 0.654 assign (resid 58 and name HN ) (resid 55 and name HG2#) 4.924 0.985 0.985 assign (resid 58 and name HN ) (resid 57 and name HB# ) 3.228 0.646 0.646 assign (resid 58 and name HN ) (resid 58 and name HA ) 3.411 0.682 0.682 !assign (resid 58 and name HN ) (resid 58 and name HG2#) 3.826 0.765 0.765 assign (resid 58 and name HN ) (resid 58 and name HB ) 2.685 0.537 0.537 assign (resid 58 and name HN ) (resid 58 and name HD1#) 3.978 0.796 0.796 assign (resid 58 and name HN ) (resid 58 and name HG1#) 3.214 0.643 0.643 !assign (resid 58 and name HN ) (resid 58 and name HG11) 3.214 0.643 0.643 !assign (resid 58 and name HG2#) (resid 58 and name HB ) 3.502 0.700 0.700 assign (resid 58 and name HA ) (resid 58 and name HD1#) 4.842 0.968 0.968 !assign (resid 58 and name HD1#) (resid 58 and name HB ) 3.919 0.784 0.784 !assign (resid 58 and name HG2#) (resid 60 and name HE# ) 4.388 0.878 0.878 assign (resid 58 and name HG2#) (resid 61 and name HA ) 5.360 1.072 1.072 assign (resid 58 and name HA ) (resid 73 and name HD# ) 4.347 0.869 0.869 assign (resid 58 and name HA ) (resid 73 and name HB# ) 4.296 0.879 0.879 assign (resid 58 and name HG2#) (resid 73 and name HD# ) 4.088 0.778 0.778 assign (resid 58 and name HG1#) (resid 73 and name HB# ) 3.575 0.735 0.735 assign (resid 58 and name HG1#) (resid 73 and name HD# ) 3.675 0.795 0.795 !Leu59 assign (resid 59 and name HN ) (resid 58 and name HG2#) 3.682 0.736 0.736 assign (resid 59 and name HN ) (resid 58 and name HN ) 4.018 0.804 0.804 assign (resid 59 and name HN ) (resid 58 and name HA ) 2.581 0.516 0.516 assign (resid 59 and name HN ) (resid 59 and name HA ) 3.207 0.641 0.641 assign (resid 59 and name HN ) (resid 59 and name HB# ) 2.823 0.565 0.565 !assign (resid 59 and name HN ) (resid 59 and name HB1 ) 2.823 0.565 0.565 !assign (resid 59 and name HN ) (resid 59 and name HB2 ) 2.915 0.583 0.583 assign (resid 59 and name HN ) (resid 59 and name HD# ) 4.209 0.842 0.842 !assign (resid 59 and name HA ) (resid 59 and name HD1#) 4.227 0.845 0.845 !assign (resid 59 and name HA ) (resid 59 and name HD2#) 3.853 0.771 0.771 !assign (resid 59 and name HN ) (resid 59 and name HD1#) 4.742 0.948 0.948 !assign (resid 59 and name HN ) (resid 59 and name HD2#) 5.077 1.015 1.015 assign (resid 59 and name HB# ) (resid 60 and name HN ) 3.421 0.684 0.684 !assign (resid 59 and name HB1 ) (resid 60 and name HN ) 3.421 0.684 0.684 !assign (resid 59 and name HB2 ) (resid 60 and name HN ) 3.494 0.699 0.699 assign (resid 59 and name HN ) (resid 60 and name HN ) 2.789 0.558 0.558 assign (resid 59 and name HN ) (resid 73 and name HA ) 3.292 0.658 0.658 assign (resid 59 and name HN ) (resid 73 and name HG ) 4.566 0.751 0.751 assign (resid 59 and name HN ) (resid 73 and name HD# ) 4.292 0.758 0.758 !Tyr60 !assign (resid 60 and name HN ) (resid 18 and name HD1#) 4.328 0.866 0.866 !assign (resid 60 and name HB# ) (resid 18 and name HG2#) 7.469 1.494 0.531 !assign (resid 60 and name HB2 ) (resid 18 and name HG2#) 7.469 1.494 0.531 assign (resid 60 and name HN ) (resid 58 and name HG2#) 3.244 0.649 0.649 assign (resid 60 and name HN ) (resid 59 and name HA ) 3.302 0.660 0.660 assign (resid 60 and name HB# ) (resid 60 and name HD# ) 3.287 0.657 0.657 !assign (resid 60 and name HB1 ) (resid 60 and name HD# ) 3.287 0.657 0.657 !assign (resid 60 and name HB2 ) (resid 60 and name HD# ) 3.171 0.634 0.634 assign (resid 60 and name HB# ) (resid 60 and name HE# ) 3.953 0.791 0.791 !assign (resid 60 and name HB2 ) (resid 60 and name HE# ) 3.953 0.791 0.791 assign (resid 60 and name HA ) (resid 60 and name HD# ) 3.593 0.719 0.719 assign (resid 60 and name HN ) (resid 60 and name HA ) 3.177 0.635 0.635 assign (resid 60 and name HN ) (resid 60 and name HB# ) 3.005 0.601 0.601 !assign (resid 60 and name HN ) (resid 60 and name HB1 ) 3.328 0.666 0.666 !assign (resid 60 and name HN ) (resid 60 and name HB2 ) 3.005 0.601 0.601 assign (resid 60 and name HN ) (resid 60 and name HE# ) 4.666 0.893 0.893 !assign (resid 60 and name HB1 ) (resid 60 and name HA ) 3.829 0.766 0.766 !assign (resid 60 and name HB2 ) (resid 60 and name HA ) 3.992 0.798 0.798 !assign (resid 60 and name HB1 ) (resid 60 and name HB2 ) 2.832 0.566 0.566 !assign (resid 60 and name HB1 ) (resid 66 and name HG2#) 5.337 1.067 1.067 !assign (resid 60 and name HB2 ) (resid 66 and name HG2#) 6.244 1.249 1.249 assign (resid 60 and name HB# ) (resid 66 and name HG# ) 6.244 1.249 1.249 assign (resid 60 and name HN ) (resid 66 and name HG# ) 6.291 1.258 1.258 assign (resid 60 and name HN ) (resid 72 and name HA ) 4.057 0.811 0.811 assign (resid 60 and name HN ) (resid 72 and name HD# ) 4.558 0.912 0.912 !Arg61 assign (resid 61 and name HN ) (resid 21 and name HE1 ) 5.337 1.067 1.067 assign (resid 61 and name HN ) (resid 60 and name HN ) 3.764 0.753 0.753 !assign (resid 61 and name HN ) (resid 60 and name HB1 ) 3.226 0.645 0.645 !assign (resid 61 and name HN ) (resid 60 and name HB2 ) 3.779 0.756 0.756 assign (resid 61 and name HN ) (resid 60 and name HB# ) 3.779 0.756 0.756 assign (resid 61 and name HN ) (resid 60 and name HA ) 2.620 0.524 0.524 !assign (resid 61 and name HN ) (resid 61 and name HB1 ) 3.014 0.603 0.603 !assign (resid 61 and name HN ) (resid 61 and name HB2 ) 3.205 0.641 0.641 assign (resid 61 and name HN ) (resid 61 and name HB# ) 3.205 0.641 0.641 assign (resid 61 and name HN ) (resid 61 and name HA ) 3.101 0.620 0.620 !Glu62 assign (resid 62 and name HA ) (resid 18 and name HB ) 3.589 0.718 0.718 assign (resid 62 and name HA ) (resid 18 and name HG1#) 4.989 0.988 0.988 assign (resid 62 and name HA ) (resid 18 and name HD1#) 4.589 0.918 0.918 assign (resid 62 and name HA ) (resid 18 and name HG2#) 3.589 0.718 0.718 assign (resid 62 and name HN ) (resid 18 and name HG2#) 4.589 0.918 0.918 assign (resid 62 and name HB# ) (resid 18 and name HG2#) 5.089 0.918 0.918 assign (resid 62 and name HN ) (resid 21 and name HE1 ) 3.536 0.707 0.707 assign (resid 62 and name HN ) (resid 21 and name HD1 ) 3.658 0.732 0.732 assign (resid 62 and name HN ) (resid 61 and name HD# ) 4.110 0.822 0.822 !assign (resid 62 and name HN ) (resid 61 and name HB2 ) 2.623 0.525 0.525 assign (resid 62 and name HN ) (resid 62 and name HG# ) 2.879 0.576 0.576 !assign (resid 62 and name HN ) (resid 62 and name HB1 ) 3.050 0.610 0.610 assign (resid 62 and name HN ) (resid 62 and name HB# ) 3.050 0.610 0.610 assign (resid 62 and name HN ) (resid 62 and name HA ) 3.082 0.616 0.616 !assign (resid 62 and name HG# ) (resid 62 and name HB2 ) 3.243 0.649 0.649 !assign (resid 62 and name HG# ) (resid 62 and name HB1 ) 3.261 0.652 0.652 !Gly63 assign (resid 63 and name HN ) (resid 18 and name HG2#) 3.996 0.799 0.799 assign (resid 63 and name HN ) (resid 18 and name HB ) 2.977 0.595 0.595 assign (resid 63 and name HN ) (resid 62 and name HG# ) 3.424 0.685 0.685 assign (resid 63 and name HN ) (resid 62 and name HA ) 2.481 0.496 0.496 assign (resid 63 and name HN ) (resid 62 and name HN ) 4.620 0.924 0.924 assign (resid 63 and name HN ) (resid 63 and name HA# ) 3.143 0.629 0.629 !assign (resid 63 and name HN ) (resid 63 and name HA2 ) 3.143 0.629 0.629 !assign (resid 63 and name HN ) (resid 63 and name HA1 ) 2.775 0.555 0.555 assign (resid 63 and name HN ) (resid 64 and name HN ) 2.903 0.581 0.581 !Gln64 assign (resid 64 and name HN ) (resid 17 and name HA ) 4.404 0.881 0.881 assign (resid 64 and name HN ) (resid 17 and name HG# ) 4.823 0.881 0.881 assign (resid 64 and name HN ) (resid 18 and name HG2#) 4.668 0.934 0.934 assign (resid 64 and name HN ) (resid 18 and name HB ) 3.215 0.643 0.643 assign (resid 64 and name HN ) (resid 18 and name HG1#) 4.091 0.818 0.818 !assign (resid 64 and name HN ) (resid 18 and name HG11) 4.091 0.818 0.818 assign (resid 64 and name HG# ) (resid 60 and name HD# ) 4.097 0.719 0.719 assign (resid 64 and name HN ) (resid 62 and name HA ) 3.352 0.670 0.670 !assign (resid 64 and name HN ) (resid 63 and name HA2 ) 3.468 0.694 0.694 !assign (resid 64 and name HN ) (resid 63 and name HA1 ) 3.524 0.705 0.705 assign (resid 64 and name HN ) (resid 63 and name HA# ) 3.524 0.705 0.705 assign (resid 64 and name HN ) (resid 64 and name HA ) 3.151 0.630 0.630 !assign (resid 64 and name HN ) (resid 64 and name HB1 ) 3.103 0.621 0.621 !assign (resid 64 and name HN ) (resid 64 and name HG# ) 2.481 0.496 0.496 assign (resid 64 and name HG# ) (resid 65 and name HN ) 3.097 0.619 0.619 !Val65 assign (resid 65 and name HN ) (resid 64 and name HB# ) 2.997 0.599 0.599 !assign (resid 65 and name HN ) (resid 64 and name HB1 ) 2.997 0.599 0.599 assign (resid 65 and name HN ) (resid 64 and name HA ) 2.472 0.494 0.494 !assign (resid 65 and name HN ) (resid 65 and name HG# ) 4.357 0.871 0.871 !assign (resid 65 and name HN ) (resid 65 and name HG1#) 4.357 0.871 0.871 !assign (resid 65 and name HN ) (resid 65 and name HG2#) 3.372 0.674 0.674 assign (resid 65 and name HN ) (resid 65 and name HA ) 3.296 0.659 0.659 assign (resid 65 and name HN ) (resid 65 and name HB ) 3.047 0.629 0.629 !Val66 !assign (resid 66 and name HN ) (resid 6 and name HD# ) 4.780 0.956 0.956 !assign (resid 66 and name HN ) (resid 6 and name HD2#) 4.780 0.956 0.956 !assign (resid 66 and name HB ) (resid 6 and name HD# ) 4.343 0.869 0.869 !assign (resid 66 and name HB ) (resid 6 and name HD2#) 4.343 0.869 0.869 assign (resid 66 and name HN ) (resid 15 and name HA ) 4.288 0.858 0.858 assign (resid 66 and name HN ) (resid 17 and name HA ) 3.308 0.662 0.662 assign (resid 66 and name HG# ) (resid 60 and name HD# ) 4.234 0.847 0.847 !assign (resid 66 and name HG1#) (resid 60 and name HD# ) 5.347 1.069 1.069 !assign (resid 66 and name HG2#) (resid 60 and name HD# ) 5.161 1.032 1.032 assign (resid 66 and name HN ) (resid 65 and name HB ) 3.480 0.696 0.696 !assign (resid 66 and name HN ) (resid 65 and name HG1#) 3.504 0.701 0.701 !assign (resid 66 and name HN ) (resid 65 and name HG2#) 4.198 0.840 0.840 !assign (resid 66 and name HN ) (resid 65 and name HG# ) 4.598 0.840 0.840 assign (resid 66 and name HN ) (resid 65 and name HA ) 2.413 0.483 0.483 !assign (resid 66 and name HN ) (resid 66 and name HG# ) 3.357 0.671 0.671 !assign (resid 66 and name HA ) (resid 66 and name HG1#) 4.124 0.825 0.825 !assign (resid 66 and name HA ) (resid 66 and name HG2#) 4.170 0.834 0.834 !assign (resid 66 and name HB ) (resid 66 and name HG2#) 3.830 0.766 0.766 !assign (resid 66 and name HB ) (resid 66 and name HG1#) 3.879 0.776 0.776 assign (resid 66 and name HB ) (resid 66 and name HN ) 3.029 0.606 0.606 !assign (resid 66 and name HN ) (resid 66 and name HG1#) 4.205 0.841 0.841 !assign (resid 66 and name HN ) (resid 66 and name HG2#) 5.317 1.063 1.063 !assign (resid 66 and name HN ) (resid 66 and name HG# ) 5.317 1.063 1.063 !assign (resid 66 and name HB ) (resid 67 and name HD# ) 4.348 0.870 0.870 !assign (resid 66 and name HB ) (resid 67 and name HD1 ) 4.348 0.870 0.870 !assign (resid 66 and name HB ) (resid 67 and name HD2 ) 4.096 0.819 0.819 !assign (resid 66 and name HG2#) (resid 67 and name HD1 ) 4.797 0.959 0.959 !assign (resid 66 and name HG2#) (resid 67 and name HD2 ) 4.305 0.861 0.861 !assign (resid 66 and name HG1#) (resid 67 and name HD2 ) 4.898 0.980 0.980 !assign (resid 66 and name HG# ) (resid 67 and name HD1 ) 4.423 0.885 0.885 !assign (resid 66 and name HG# ) (resid 67 and name HD2 ) 5.424 1.085 1.085 !assign (resid 66 and name HG# ) (resid 67 and name HD# ) 5.424 1.085 1.085 !Pro67 !assign (resid 67 and name HD1 ) (resid 67 and name HD2 ) 2.714 0.543 0.543 !Val68 assign (resid 68 and name HA ) (resid 6 and name HN ) 4.830 0.866 0.866 assign (resid 68 and name HA ) (resid 6 and name HB# ) 4.125 0.825 0.825 !assign (resid 68 and name HA ) (resid 6 and name HB1 ) 4.125 0.825 0.825 !assign (resid 68 and name HA ) (resid 6 and name HB2 ) 3.271 0.654 0.654 assign (resid 68 and name HA ) (resid 6 and name HD# ) 4.538 0.888 0.888 assign (resid 68 and name HN ) (resid 6 and name HD# ) 4.538 0.888 0.888 assign (resid 68 and name HG# ) (resid 6 and name HB# ) 3.896 0.779 0.779 !assign (resid 68 and name HA ) (resid 6 and name HD2#) 3.938 0.788 0.788 assign (resid 68 and name HG# ) (resid 8 and name HA ) 3.796 0.679 0.679 assign (resid 68 and name HG# ) (resid 8 and name HB# ) 4.296 0.879 0.879 assign (resid 68 and name HG# ) (resid 8 and name HN ) 3.796 0.679 0.679 assign (resid 68 and name HN ) (resid 15 and name HB# ) 3.809 0.762 0.762 !assign (resid 68 and name HN ) (resid 15 and name HB2 ) 3.809 0.762 0.762 !assign (resid 68 and name HN ) (resid 15 and name HB1 ) 3.677 0.735 0.735 assign (resid 68 and name HN ) (resid 15 and name HA ) 3.460 0.692 0.692 !assign (resid 68 and name HN ) (resid 66 and name HA ) 3.685 0.737 0.737 assign (resid 68 and name HN ) (resid 67 and name HB# ) 3.729 0.746 0.746 !assign (resid 68 and name HN ) (resid 67 and name HB1 ) 3.729 0.746 0.746 !assign (resid 68 and name HN ) (resid 67 and name HB2 ) 2.938 0.588 0.588 assign (resid 68 and name HN ) (resid 67 and name HA ) 2.607 0.521 0.521 !assign (resid 68 and name HN ) (resid 68 and name HG# ) 3.144 0.629 0.629 assign (resid 68 and name HN ) (resid 68 and name HB ) 2.663 0.533 0.533 assign (resid 68 and name HN ) (resid 68 and name HA ) 3.318 0.664 0.664 !assign (resid 68 and name HA ) (resid 68 and name HG# ) 3.632 0.726 0.726 assign (resid 68 and name HA ) (resid 69 and name HN ) 2.594 0.519 0.519 assign (resid 68 and name HN ) (resid 69 and name HN ) 3.965 0.793 0.793 assign (resid 68 and name HG# ) (resid 69 and name HN ) 3.375 0.675 0.675 assign (resid 68 and name HG# ) (resid 70 and name HN ) 4.311 0.862 0.862 assign (resid 68 and name HA ) (resid 70 and name HN ) 3.353 0.671 0.671 !Gly69 assign (resid 69 and name HN ) (resid 5 and name HD# ) 5.234 0.966 0.966 assign (resid 69 and name HN ) (resid 6 and name HD# ) 4.834 0.847 0.847 !assign (resid 69 and name HN ) (resid 6 and name HD2#) 4.234 0.847 0.847 assign (resid 69 and name HN ) (resid 68 and name HB ) 3.802 0.760 0.760 assign (resid 69 and name HA# ) (resid 69 and name HN ) 3.067 0.613 0.613 !assign (resid 69 and name HA2 ) (resid 69 and name HN ) 3.067 0.613 0.613 !assign (resid 69 and name HA1 ) (resid 69 and name HN ) 2.797 0.559 0.559 !Ser70 assign (resid 70 and name HN ) (resid 6 and name HB# ) 4.041 0.768 0.768 !assign (resid 70 and name HN ) (resid 6 and name HB2 ) 3.161 0.632 0.632 !assign (resid 70 and name HN ) (resid 6 and name HB1 ) 3.341 0.668 0.668 assign (resid 70 and name HB# ) (resid 66 and name HG# ) 4.537 0.907 0.907 assign (resid 70 and name HN ) (resid 66 and name HG# ) 5.073 0.935 0.935 !assign (resid 70 and name HB1 ) (resid 66 and name HG2#) 4.262 0.852 0.852 !assign (resid 70 and name HB1 ) (resid 66 and name HG1#) 5.339 1.068 1.068 !assign (resid 70 and name HB2 ) (resid 66 and name HG# ) 4.537 0.907 0.907 !assign (resid 70 and name HB1 ) (resid 66 and name HG# ) 4.464 0.893 0.893 assign (resid 70 and name HN ) (resid 69 and name HA# ) 3.347 0.669 0.669 !assign (resid 70 and name HN ) (resid 69 and name HA1 ) 3.347 0.669 0.669 !assign (resid 70 and name HN ) (resid 69 and name HA2 ) 3.326 0.665 0.665 assign (resid 70 and name HN ) (resid 69 and name HN ) 2.932 0.586 0.586 assign (resid 70 and name HN ) (resid 70 and name HB# ) 3.139 0.628 0.628 !assign (resid 70 and name HN ) (resid 70 and name HB1 ) 2.828 0.566 0.566 !assign (resid 70 and name HN ) (resid 70 and name HB2 ) 3.139 0.628 0.628 assign (resid 70 and name HN ) (resid 70 and name HA ) 3.082 0.616 0.616 !Leu72 assign (resid 72 and name HB# ) (resid 4 and name HD# ) 3.551 0.710 0.710 assign (resid 72 and name HN ) (resid 6 and name HN ) 3.851 0.770 0.770 assign (resid 72 and name HB# ) (resid 60 and name HD# ) 3.624 0.725 0.725 assign (resid 72 and name HD# ) (resid 66 and name HG# ) 4.680 0.936 0.936 !assign (resid 72 and name HD2#) (resid 66 and name HG# ) 4.680 0.936 0.936 assign (resid 72 and name HN ) (resid 71 and name HA ) 2.584 0.517 0.517 assign (resid 72 and name HN ) (resid 71 and name HG2#) 3.535 0.707 0.707 !assign (resid 72 and name HD2#) (resid 72 and name HB# ) 6.409 1.282 1.282 assign (resid 72 and name HN ) (resid 72 and name HA ) 2.909 0.582 0.582 assign (resid 72 and name HN ) (resid 72 and name HB# ) 2.850 0.570 0.570 !assign (resid 72 and name HN ) (resid 72 and name HD# ) 3.948 0.790 0.790 !assign (resid 72 and name HN ) (resid 72 and name HD2#) 3.948 0.790 0.790 assign (resid 72 and name HN ) (resid 72 and name HG ) 2.945 0.589 0.589 !assign (resid 72 and name HA ) (resid 72 and name HD# ) 3.927 0.785 0.785 !assign (resid 72 and name HA ) (resid 72 and name HD2#) 3.927 0.785 0.785 !Leu73 assign (resid 73 and name HD# ) (resid 4 and name HD# ) 4.087 0.817 0.817 assign (resid 73 and name HB# ) (resid 4 and name HD# ) 4.087 0.817 0.817 assign (resid 73 and name HN ) (resid 4 and name HB# ) 3.614 0.723 0.723 !assign (resid 73 and name HN ) (resid 4 and name HB1 ) 3.614 0.723 0.723 !assign (resid 73 and name HN ) (resid 4 and name HB2 ) 3.346 0.669 0.669 assign (resid 73 and name HN ) (resid 4 and name HN ) 3.440 0.688 0.688 assign (resid 73 and name HN ) (resid 4 and name HD# ) 4.448 0.890 0.890 !assign (resid 73 and name HN ) (resid 57 and name HA ) 4.106 0.821 0.821 assign (resid 73 and name HA ) (resid 58 and name HA ) 3.583 0.717 0.717 !assign (resid 76 and name HA ) (resid 58 and name HA ) 3.583 0.717 0.717 assign (resid 73 and name HN ) (resid 59 and name HD# ) 4.162 0.832 0.832 assign (resid 73 and name HN ) (resid 71 and name HG2#) 3.440 0.688 0.688 assign (resid 73 and name HN ) (resid 71 and name HA ) 3.328 0.666 0.666 assign (resid 73 and name HN ) (resid 72 and name HB# ) 2.798 0.560 0.560 assign (resid 73 and name HN ) (resid 72 and name HN ) 2.589 0.518 0.518 assign (resid 73 and name HN ) (resid 72 and name HA ) 3.371 0.674 0.674 !assign (resid 73 and name HA ) (resid 73 and name HB# ) 4.676 0.935 0.935 assign (resid 73 and name HN ) (resid 73 and name HB# ) 2.870 0.574 0.574 assign (resid 73 and name HN ) (resid 73 and name HD# ) 3.820 0.764 0.764 !assign (resid 73 and name HN ) (resid 73 and name HD2#) 3.820 0.764 0.764 assign (resid 73 and name HN ) (resid 73 and name HA ) 3.056 0.611 0.611 assign (resid 73 and name HA ) (resid 74 and name HN ) 2.422 0.484 0.484 assign (resid 73 and name HN ) (resid 74 and name HN ) 4.069 0.814 0.814 !Gln74 assign (resid 74 and name HN ) (resid 58 and name HA ) 3.808 0.762 0.762 !assign (resid 74 and name HB# ) (resid 55 and name HD1#) 4.406 0.881 0.881 assign (resid 74 and name HN ) (resid 57 and name HN ) 3.106 0.621 0.621 assign (resid 74 and name HB# ) (resid 57 and name HB# ) 4.026 0.845 0.845 assign (resid 74 and name HN ) (resid 57 and name HB# ) 4.087 0.877 0.877 assign (resid 74 and name HN ) (resid 73 and name HB# ) 3.013 0.603 0.603 !assign (resid 74 and name HN ) (resid 73 and name HD# ) 3.978 0.796 0.796 !assign (resid 74 and name HN ) (resid 73 and name HD2#) 3.978 0.796 0.796 assign (resid 74 and name HN ) (resid 74 and name HG# ) 4.288 0.738 0.738 !assign (resid 74 and name HN ) (resid 74 and name HG1 ) 3.688 0.738 0.738 !assign (resid 74 and name HN ) (resid 74 and name HB# ) 4.243 0.749 0.749 !Ile75 assign (resid 75 and name HN ) (resid 2 and name HB# ) 3.524 0.705 0.705 !assign (resid 75 and name HN ) (resid 2 and name HB1 ) 3.674 0.735 0.735 !assign (resid 75 and name HN ) (resid 2 and name HB1 ) 3.674 0.735 0.735 assign (resid 75 and name HB ) (resid 2 and name HA ) 4.414 0.883 0.883 assign (resid 75 and name HD1#) (resid 2 and name HD# ) 5.299 1.060 1.060 assign (resid 75 and name HG2#) (resid 51 and name HG# ) 4.483 0.897 0.897 !assign (resid 75 and name HG2#) (resid 51 and name HG1#) 4.483 0.897 0.897 assign (resid 75 and name HA ) (resid 56 and name HG# ) 4.383 0.877 0.877 !assign (resid 75 and name HA ) (resid 56 and name HG1#) 4.383 0.877 0.877 !assign (resid 75 and name HB ) (resid 58 and name HD1#) 5.041 1.008 1.008 assign (resid 75 and name HN ) (resid 74 and name HA ) 2.516 0.503 0.503 assign (resid 75 and name HN ) (resid 74 and name HB# ) 3.022 0.604 0.604 assign (resid 75 and name HN ) (resid 75 and name HA ) 3.344 0.669 0.669 assign (resid 75 and name HN ) (resid 75 and name HD1#) 4.566 0.913 0.913 assign (resid 75 and name HN ) (resid 75 and name HG1#) 3.769 0.754 0.754 !assign (resid 75 and name HN ) (resid 75 and name HG11) 3.769 0.754 0.754 !assign (resid 75 and name HN ) (resid 75 and name HG12) 3.175 0.635 0.635 assign (resid 75 and name HN ) (resid 75 and name HG2#) 4.444 0.889 0.889 !assign (resid 75 and name HB ) (resid 75 and name HD1#) 3.835 0.767 0.767 assign (resid 75 and name HN ) (resid 75 and name HB ) 2.999 0.600 0.600 !assign (resid 75 and name HG2#) (resid 75 and name HA ) 3.967 0.793 0.793 !Asp76 assign (resid 76 and name HA ) (resid 2 and name HN ) 3.730 0.746 0.746 assign (resid 76 and name HN ) (resid 54 and name HB# ) 4.134 0.823 0.823 assign (resid 76 and name HB# ) (resid 54 and name HB# ) 3.866 0.773 0.773 !assign (resid 76 and name HB2 ) (resid 54 and name HB# ) 3.746 0.749 0.749 !assign (resid 76 and name HB1 ) (resid 54 and name HB# ) 3.866 0.773 0.773 assign (resid 76 and name HN ) (resid 55 and name HA ) 3.701 0.740 0.740 assign (resid 76 and name HN ) (resid 56 and name HG# ) 3.778 0.756 0.756 !assign (resid 76 and name HN ) (resid 56 and name HG1#) 4.081 0.816 0.816 !assign (resid 75 and name HN ) (resid 56 and name HG1#) assign (resid 76 and name HN ) (resid 75 and name HA ) 2.607 0.521 0.521 assign (resid 76 and name HN ) (resid 75 and name HG2#) 3.658 0.732 0.732 assign (resid 76 and name HN ) (resid 75 and name HG1#) 4.152 0.830 0.830 !assign (resid 76 and name HN ) (resid 75 and name HG11) 4.152 0.830 0.830 assign (resid 76 and name HN ) (resid 75 and name HB ) 3.322 0.664 0.664 assign (resid 76 and name HN ) (resid 76 and name HB# ) 3.015 0.603 0.603 !assign (resid 76 and name HN ) (resid 76 and name HB1 ) 2.973 0.595 0.595 !assign (resid 76 and name HN ) (resid 76 and name HB2 ) 3.015 0.603 0.603 assign (resid 76 and name HN ) (resid 76 and name HA ) 3.346 0.669 0.669 !assign (resid 76 and name HA ) (resid 76 and name HB1 ) 3.522 0.704 0.704 assign (resid 76 and name HA ) (resid 77 and name HN ) 2.675 0.535 0.535 !Thr77 assign (resid 77 and name HA ) (resid 77 and name HN ) 3.457 0.691 0.691
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