NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
592136 | 2n2h | 25599 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} (( segid "HID " and resid 723 and name HG2 )) (( segid "HID " and resid 723 and name HB1 )) 1.600 0.300 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.76934E-01 ppm1 2.030 ppm2 2.241 CV 1 OR { 2} (( segid "HID " and resid 616 and name HG2 )) (( segid "HID " and resid 616 and name HB1 )) OR { 2} (( segid "HID " and resid 720 and name HG2 )) (( segid "HID " and resid 720 and name HB1 )) OR { 2} (( segid "HID " and resid 614 and name HG1 )) (( segid "HID " and resid 614 and name HB1 )) OR { 2} (( segid "HID " and resid 723 and name HG1 )) (( segid "HID " and resid 723 and name HB2 )) OR { 2} (( segid "HID " and resid 614 and name HG2 )) (( segid "HID " and resid 614 and name HB1 )) OR { 2} (( segid "HID " and resid 723 and name HG2 )) (( segid "HID " and resid 723 and name HB2 )) OR { 2} (( segid "HID " and resid 723 and name HG1 )) (( segid "HID " and resid 723 and name HB1 )) OR { 2} (( segid "HID " and resid 720 and name HG2 )) (( segid "HID " and resid 720 and name HB2 )) ASSI { 5} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HG1 )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.23182E-02 ppm1 1.382 ppm2 2.961 CV 1 OR { 5} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HG2 )) OR { 5} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HG1 )) OR { 5} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HG2 )) OR { 5} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HG2 )) ASSI { 6} (( segid "HID " and resid 620 and name HB1 )) (( segid "HID " and resid 617 and name HA )) 2.900 1.000 1.000 peak 6 spectrum 1 weight 0.10000E+01 volume 0.22540E-02 ppm1 3.934 ppm2 1.695 CV 1 OR { 6} (( segid "HID " and resid 620 and name HB1 )) (( segid "HID " and resid 620 and name HA )) OR { 6} (( segid "HID " and resid 699 and name HG2 )) (( segid "HID " and resid 699 and name HA )) OR { 6} (( segid "HID " and resid 699 and name HG1 )) (( segid "HID " and resid 699 and name HA )) ASSI { 22} (( segid "SID " and resid 211 and name HG )) (( segid "HID " and resid 673 and name HA )) 4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.23317E-03 ppm1 5.188 ppm2 1.603 CV 1 OR { 22} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 673 and name HA )) ASSI { 25} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 670 and name HA )) 2.800 1.000 1.000 peak 25 spectrum 1 weight 0.10000E+01 volume 0.21933E-02 ppm1 4.530 ppm2 1.427 CV 1 OR { 25} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 670 and name HA )) ASSI { 27} (( segid "HID " and resid 615 and name HB2 )) (( segid "HID " and resid 615 and name HA )) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.50614E-02 ppm1 4.532 ppm2 2.655 CV 1 OR { 27} (( segid "HID " and resid 655 and name HB2 )) (( segid "HID " and resid 655 and name HA )) ASSI { 35} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 644 and name HA )) 2.600 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.31954E-02 ppm1 4.593 ppm2 1.612 CV 1 OR { 35} (( segid "HID " and resid 653 and name HB2 )) (( segid "HID " and resid 653 and name HA )) ASSI { 39} (( segid "HID " and resid 655 and name HB1 )) (( segid "HID " and resid 655 and name HA )) 2.300 0.700 0.700 peak 39 spectrum 1 weight 0.10000E+01 volume 0.75919E-02 ppm1 4.538 ppm2 2.828 CV 1 OR { 39} (( segid "HID " and resid 656 and name HB1 )) (( segid "HID " and resid 656 and name HA )) OR { 39} (( segid "HID " and resid 656 and name HB2 )) (( segid "HID " and resid 656 and name HA )) ASSI { 47} ( segid "HID " and resid 725 and name HE% ) (( segid "HID " and resid 725 and name HB1 )) 5.000 3.100 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.22608E-03 ppm1 2.922 ppm2 -1.201 CV 1 OR { 47} ( segid "HID " and resid 726 and name HE% ) (( segid "HID " and resid 726 and name HB2 )) ASSI { 52} ( segid "HID " and resid 726 and name HD% ) (( segid "HID " and resid 726 and name HB1 )) 2.600 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 3.008 ppm2 -0.918 CV 1 OR { 52} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 611 and name HB1 )) ASSI { 53} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 611 and name HB2 )) 2.600 0.800 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 2.909 ppm2 -0.921 CV 1 OR { 53} ( segid "HID " and resid 726 and name HD% ) (( segid "HID " and resid 726 and name HB2 )) ASSI { 60} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 614 and name HA )) 3.900 1.900 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.34080E-03 ppm1 4.127 ppm2 -0.906 CV 1 OR { 60} ( segid "SID " and resid 209 and name HD% ) (( segid "HID " and resid 616 and name HA )) OR { 60} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 616 and name HA )) OR { 60} (( segid "HID " and resid 718 and name HZ3 )) (( segid "HID " and resid 723 and name HA )) ASSI { 62} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 686 and name HD1 )) 2.600 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.39817E-02 ppm1 3.170 ppm2 0.914 CV 1 OR { 62} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 686 and name HD2 )) OR { 62} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 667 and name HD2 )) OR { 62} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 667 and name HD1 )) OR { 62} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 632 and name HD2 )) OR { 62} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HD2 )) OR { 62} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 653 and name HD2 )) ASSI { 66} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 686 and name HD2 )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 3.169 ppm2 0.739 CV 1 OR { 66} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 686 and name HD1 )) OR { 66} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 686 and name HD2 )) OR { 66} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 686 and name HD1 )) OR { 66} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 667 and name HD2 )) OR { 66} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 667 and name HD1 )) ASSI { 68} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 667 and name HD1 )) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 3.189 ppm2 0.848 CV 1 OR { 68} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 667 and name HD2 )) OR { 68} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 667 and name HD1 )) OR { 68} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 632 and name HD2 )) OR { 68} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 667 and name HD2 )) OR { 68} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HD2 )) OR { 68} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 653 and name HD2 )) OR { 68} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HD1 )) OR { 68} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 667 and name HD1 )) ASSI { 69} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 667 and name HD2 )) 3.000 1.100 1.100 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22169E-02 ppm1 3.203 ppm2 0.919 CV 1 OR { 69} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 667 and name HD1 )) OR { 69} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 708 and name HD2 )) OR { 69} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 653 and name HD2 )) OR { 69} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 653 and name HD2 )) OR { 69} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 667 and name HD1 )) ASSI { 72} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 708 and name HD1 )) 3.500 1.500 1.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.87735E-03 ppm1 3.295 ppm2 0.920 CV 1 OR { 72} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 708 and name HD1 )) ASSI { 73} ( segid "SID " and resid 220 and name HD1%) (( segid "HID " and resid 677 and name HE1 )) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 2.971 ppm2 0.797 CV 1 OR { 73} ( segid "SID " and resid 220 and name HD1%) (( segid "HID " and resid 677 and name HE2 )) OR { 73} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 651 and name HE2 )) OR { 73} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 651 and name HE1 )) OR { 73} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 687 and name HE1 )) ASSI { 95} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 681 and name HA )) 3.800 1.800 1.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.57025E-03 ppm1 3.471 ppm2 0.906 CV 1 OR { 95} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 681 and name HA )) ASSI { 105} (( segid "HID " and resid 624 and name HA )) ( segid "HID " and resid 623 and name HG2%) 4.100 2.100 1.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.24970E-03 ppm1 0.029 ppm2 4.209 CV 1 OR { 105} (( segid "HID " and resid 669 and name HA )) ( segid "HID " and resid 623 and name HG2%) ASSI { 111} (( segid "HID " and resid 633 and name HA )) ( segid "HID " and resid 633 and name HG2%) 2.600 0.900 0.900 peak 111 spectrum 1 weight 0.10000E+01 volume 0.30605E-02 ppm1 0.850 ppm2 3.900 CV 1 OR { 111} (( segid "HID " and resid 713 and name HA2 )) ( segid "HID " and resid 717 and name HG2%) ASSI { 112} (( segid "HID " and resid 717 and name HA )) ( segid "HID " and resid 717 and name HG2%) 2.700 0.900 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 0.866 ppm2 3.973 CV 1 OR { 112} (( segid "HID " and resid 713 and name HA1 )) ( segid "HID " and resid 717 and name HG2%) ASSI { 113} (( segid "HID " and resid 658 and name HA )) ( segid "HID " and resid 633 and name HG2%) 2.800 1.000 1.000 peak 113 spectrum 1 weight 0.10000E+01 volume 0.29424E-02 ppm1 0.851 ppm2 4.076 CV 1 OR { 113} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 633 and name HG2%) OR { 113} (( segid "HID " and resid 630 and name HA )) ( segid "HID " and resid 633 and name HG2%) ASSI { 114} (( segid "HID " and resid 658 and name HA )) ( segid "HID " and resid 633 and name HG2%) 3.200 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 0.850 ppm2 4.127 CV 1 OR { 114} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 633 and name HG2%) OR { 114} (( segid "HID " and resid 712 and name HA )) ( segid "HID " and resid 717 and name HG2%) ASSI { 116} (( segid "HID " and resid 664 and name HA )) ( segid "HID " and resid 664 and name HG2%) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 0.867 ppm2 3.733 CV 1 OR { 116} (( segid "HID " and resid 622 and name HA )) ( segid "HID " and resid 622 and name HG1%) ASSI { 117} (( segid "HID " and resid 718 and name HA )) ( segid "HID " and resid 717 and name HG2%) 4.200 2.200 1.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.34755E-03 ppm1 0.865 ppm2 4.471 CV 1 OR { 117} (( segid "HID " and resid 662 and name HA )) ( segid "HID " and resid 664 and name HG2%) OR { 117} (( segid "HID " and resid 618 and name HA )) ( segid "HID " and resid 622 and name HG1%) ASSI { 120} (( segid "HID " and resid 664 and name HA )) ( segid "HID " and resid 664 and name HG1%) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 0.991 ppm2 3.749 CV 1 OR { 120} (( segid "HID " and resid 665 and name HA )) ( segid "HID " and resid 664 and name HG1%) ASSI { 123} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 692 and name HB% ) 3.700 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.92118E-03 ppm1 1.263 ppm2 3.568 CV 1 OR { 123} (( segid "HID " and resid 694 and name HD1 )) ( segid "HID " and resid 692 and name HB% ) ASSI { 129} (( segid "HID " and resid 630 and name HB )) ( segid "HID " and resid 630 and name HG2%) 2.200 0.600 0.600 peak 129 spectrum 1 weight 0.10000E+01 volume 0.79293E-02 ppm1 1.190 ppm2 4.229 CV 1 OR { 129} (( segid "HID " and resid 657 and name HA )) ( segid "HID " and resid 657 and name HG2%) ASSI { 139} (( segid "HID " and resid 669 and name HA )) ( segid "HID " and resid 700 and name HD1%) 4.000 2.000 2.000 peak 139 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 0.968 ppm2 4.189 CV 1 OR { 139} (( segid "HID " and resid 628 and name HA )) ( segid "HID " and resid 700 and name HD1%) OR { 139} (( segid "HID " and resid 629 and name HA )) ( segid "HID " and resid 700 and name HD1%) ASSI { 146} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 693 and name HG2%) 2.600 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 0.860 ppm2 3.581 CV 1 OR { 146} (( segid "HID " and resid 694 and name HD1 )) ( segid "HID " and resid 693 and name HG2%) ASSI { 148} (( segid "HID " and resid 620 and name HA )) ( segid "HID " and resid 620 and name HD2%) 2.500 0.800 0.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.51627E-02 ppm1 0.849 ppm2 3.943 CV 1 OR { 148} (( segid "HID " and resid 711 and name HA )) ( segid "HID " and resid 620 and name HD2%) OR { 148} (( segid "HID " and resid 617 and name HA )) ( segid "HID " and resid 620 and name HD2%) ASSI { 153} (( segid "HID " and resid 629 and name HA )) ( segid "HID " and resid 633 and name HG1%) 3.500 1.500 1.500 peak 153 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 1.119 ppm2 4.158 CV 1 OR { 153} (( segid "HID " and resid 632 and name HA )) ( segid "HID " and resid 633 and name HG1%) ASSI { 159} (( segid "HID " and resid 652 and name HB2 )) ( segid "HID " and resid 644 and name HD1%) 3.900 1.900 1.900 peak 159 spectrum 1 weight 0.10000E+01 volume 0.21562E-03 ppm1 0.820 ppm2 2.998 CV 1 OR { 159} (( segid "HID " and resid 651 and name HE1 )) ( segid "HID " and resid 644 and name HD1%) ASSI { 160} (( segid "HID " and resid 654 and name HA )) ( segid "HID " and resid 657 and name HG2%) 3.400 1.500 1.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.79635E-03 ppm1 1.185 ppm2 4.514 CV 1 OR { 160} (( segid "HID " and resid 670 and name HA )) ( segid "HID " and resid 630 and name HG2%) OR { 160} (( segid "HID " and resid 656 and name HA )) ( segid "HID " and resid 657 and name HG2%) ASSI { 164} (( segid "HID " and resid 690 and name HA )) ( segid "HID " and resid 641 and name HD2%) 2.800 2.800 3.200 peak 164 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 0.464 ppm2 4.058 CV 1 OR { 164} (( segid "HID " and resid 648 and name HA )) ( segid "HID " and resid 641 and name HD2%) ASSI { 165} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 641 and name HD2%) 3.400 1.400 1.400 peak 165 spectrum 1 weight 0.10000E+01 volume 0.16703E-02 ppm1 0.463 ppm2 3.943 CV 1 OR { 165} (( segid "HID " and resid 640 and name HA )) ( segid "HID " and resid 641 and name HD2%) ASSI { 177} (( segid "HID " and resid 681 and name HA )) ( segid "HID " and resid 696 and name HG1%) 4.400 2.400 1.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.35093E-03 ppm1 1.045 ppm2 3.495 CV 1 OR { 177} (( segid "HID " and resid 682 and name HA )) ( segid "HID " and resid 696 and name HG1%) ASSI { 180} (( segid "HID " and resid 659 and name HA1 )) ( segid "HID " and resid 658 and name HD1%) 3.100 3.100 2.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.65460E-03 ppm1 0.733 ppm2 3.973 CV 1 OR { 180} (( segid "HID " and resid 659 and name HA2 )) ( segid "HID " and resid 658 and name HD1%) OR { 180} (( segid "HID " and resid 686 and name HA )) ( segid "HID " and resid 658 and name HD1%) OR { 180} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 658 and name HD1%) ASSI { 182} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 693 and name HG1%) 2.600 0.800 0.800 peak 182 spectrum 1 weight 0.10000E+01 volume 0.43866E-02 ppm1 1.040 ppm2 3.578 CV 1 OR { 182} (( segid "HID " and resid 694 and name HD1 )) ( segid "HID " and resid 693 and name HG1%) ASSI { 183} (( segid "HID " and resid 685 and name HA )) ( segid "HID " and resid 693 and name HG1%) 3.900 1.900 1.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.83346E-03 ppm1 1.039 ppm2 3.703 CV 1 OR { 183} (( segid "HID " and resid 637 and name HA )) ( segid "HID " and resid 693 and name HG1%) ASSI { 187} (( segid "HID " and resid 697 and name HA )) ( segid "HID " and resid 697 and name HD1%) 2.300 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.77948E-02 ppm1 0.907 ppm2 3.928 CV 1 OR { 187} (( segid "HID " and resid 635 and name HA )) ( segid "HID " and resid 697 and name HD1%) OR { 187} (( segid "HID " and resid 620 and name HA )) ( segid "HID " and resid 620 and name HD1%) ASSI { 188} (( segid "HID " and resid 628 and name HA )) ( segid "HID " and resid 628 and name HD2%) 2.400 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.57363E-02 ppm1 0.944 ppm2 4.153 CV 1 OR { 188} (( segid "HID " and resid 624 and name HA )) ( segid "HID " and resid 624 and name HD2%) ASSI { 189} (( segid "HID " and resid 694 and name HA )) ( segid "HID " and resid 697 and name HD1%) 2.800 2.800 3.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.30571E-02 ppm1 0.903 ppm2 4.189 CV 1 OR { 189} (( segid "HID " and resid 624 and name HA )) ( segid "HID " and resid 620 and name HD1%) ASSI { 202} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HG1 )) 3.700 1.700 1.700 peak 202 spectrum 1 weight 0.10000E+01 volume 0.78285E-03 ppm1 1.473 ppm2 4.167 CV 1 OR { 202} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 716 and name HG1 )) ASSI { 203} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HG2 )) 3.200 1.300 1.300 peak 203 spectrum 1 weight 0.10000E+01 volume 0.94141E-03 ppm1 1.387 ppm2 4.159 CV 1 OR { 203} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 716 and name HG2 )) ASSI { 211} (( segid "HID " and resid 708 and name HD1 )) ( segid "HID " and resid 624 and name HD1%) 3.500 1.500 1.500 peak 211 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 1.298 ppm2 3.313 CV 1 OR { 211} (( segid "HID " and resid 627 and name HB1 )) ( segid "HID " and resid 624 and name HD1%) ASSI { 214} (( segid "HID " and resid 690 and name HA )) ( segid "HID " and resid 641 and name HD1%) 2.800 1.000 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.28513E-02 ppm1 0.631 ppm2 4.056 CV 1 OR { 214} (( segid "HID " and resid 648 and name HA )) ( segid "HID " and resid 644 and name HD2%) ASSI { 216} (( segid "HID " and resid 649 and name HA )) ( segid "HID " and resid 644 and name HD2%) 3.100 1.200 1.200 peak 216 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 0.666 ppm2 3.790 CV 1 OR { 216} (( segid "HID " and resid 690 and name HB2 )) ( segid "HID " and resid 641 and name HD1%) OR { 216} (( segid "HID " and resid 649 and name HA )) ( segid "HID " and resid 641 and name HD1%) ASSI { 229} (( segid "HID " and resid 623 and name HA )) ( segid "HID " and resid 624 and name HD2%) 3.500 1.500 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 0.919 ppm2 3.298 CV 1 OR { 229} (( segid "HID " and resid 708 and name HD1 )) ( segid "HID " and resid 624 and name HD2%) OR { 229} (( segid "HID " and resid 627 and name HB1 )) ( segid "HID " and resid 624 and name HD2%) ASSI { 233} (( segid "HID " and resid 652 and name HB2 )) ( segid "HID " and resid 644 and name HD2%) 3.300 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 0.674 ppm2 3.004 CV 1 OR { 233} (( segid "HID " and resid 651 and name HE2 )) ( segid "HID " and resid 644 and name HD2%) OR { 233} (( segid "HID " and resid 651 and name HE1 )) ( segid "HID " and resid 644 and name HD2%) ASSI { 238} (( segid "HID " and resid 697 and name HA )) ( segid "HID " and resid 634 and name HD1%) 3.000 1.100 1.100 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17614E-02 ppm1 0.834 ppm2 3.922 CV 1 OR { 238} (( segid "HID " and resid 635 and name HA )) ( segid "HID " and resid 634 and name HD1%) OR { 238} (( segid "HID " and resid 684 and name HA1 )) ( segid "HID " and resid 685 and name HD1%) ASSI { 239} (( segid "HID " and resid 620 and name HA )) ( segid "HID " and resid 624 and name HD2%) 2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.76934E-02 ppm1 0.923 ppm2 3.925 CV 1 OR { 239} (( segid "HID " and resid 711 and name HA )) ( segid "HID " and resid 624 and name HD2%) ASSI { 243} (( segid "HID " and resid 670 and name HA )) ( segid "HID " and resid 670 and name HD2%) 3.300 1.400 1.400 peak 243 spectrum 1 weight 0.10000E+01 volume 0.86720E-03 ppm1 0.850 ppm2 4.520 CV 1 OR { 243} (( segid "HID " and resid 654 and name HA )) ( segid "HID " and resid 654 and name HD2%) ASSI { 254} (( segid "HID " and resid 682 and name HA )) ( segid "HID " and resid 670 and name HD2%) 3.400 1.500 1.500 peak 254 spectrum 1 weight 0.10000E+01 volume 0.91109E-03 ppm1 0.848 ppm2 3.521 CV 1 OR { 254} (( segid "HID " and resid 678 and name HA )) ( segid "HID " and resid 670 and name HD2%) ASSI { 255} (( segid "HID " and resid 685 and name HA )) ( segid "HID " and resid 654 and name HD2%) 3.800 1.900 1.900 peak 255 spectrum 1 weight 0.10000E+01 volume 0.60735E-03 ppm1 0.878 ppm2 3.731 CV 1 OR { 255} (( segid "HID " and resid 637 and name HA )) ( segid "HID " and resid 654 and name HD2%) OR { 255} (( segid "HID " and resid 696 and name HA )) ( segid "HID " and resid 670 and name HD2%) ASSI { 280} (( segid "HID " and resid 658 and name HA )) (( segid "HID " and resid 658 and name HG )) 2.700 0.900 0.900 peak 280 spectrum 1 weight 0.10000E+01 volume 0.25273E-02 ppm1 1.533 ppm2 4.074 CV 1 OR { 280} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 719 and name HG2 )) ASSI { 283} (( segid "HID " and resid 642 and name HA )) (( segid "HID " and resid 643 and name HG2 )) 3.600 1.600 1.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.11101E-02 ppm1 1.669 ppm2 4.151 CV 1 OR { 283} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 719 and name HG1 )) ASSI { 287} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 620 and name HG )) 3.100 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.13666E-02 ppm1 1.599 ppm2 3.936 CV 1 OR { 287} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 620 and name HG )) ASSI { 293} (( segid "HID " and resid 662 and name HB1 )) (( segid "HID " and resid 665 and name HG11)) 3.600 1.600 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.66811E-03 ppm1 1.433 ppm2 3.980 CV 1 OR { 293} (( segid "HID " and resid 626 and name HA )) (( segid "HID " and resid 665 and name HG11)) ASSI { 300} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HG1 )) 2.500 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.60063E-02 ppm1 1.893 ppm2 4.143 CV 1 OR { 300} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HG1 )) ASSI { 304} (( segid "HID " and resid 712 and name HD1 )) (( segid "HID " and resid 712 and name HG1 )) 2.300 0.700 0.700 peak 304 spectrum 1 weight 0.10000E+01 volume 0.59727E-02 ppm1 1.636 ppm2 3.230 CV 1 OR { 304} (( segid "HID " and resid 712 and name HD2 )) (( segid "HID " and resid 712 and name HG2 )) OR { 304} (( segid "HID " and resid 667 and name HD2 )) (( segid "HID " and resid 667 and name HG1 )) OR { 304} (( segid "HID " and resid 712 and name HD2 )) (( segid "HID " and resid 712 and name HG1 )) OR { 304} (( segid "HID " and resid 712 and name HD1 )) (( segid "HID " and resid 712 and name HG2 )) ASSI { 308} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 634 and name HG )) 3.800 1.800 1.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.55676E-03 ppm1 1.888 ppm2 4.005 CV 1 OR { 308} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 632 and name HG1 )) ASSI { 314} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HB2 )) 2.400 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 2.015 ppm2 3.934 CV 1 OR { 314} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 638 and name HB2 )) ASSI { 315} (( segid "HID " and resid 669 and name HA )) (( segid "HID " and resid 672 and name HB2 )) 2.300 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.69171E-02 ppm1 2.003 ppm2 4.202 CV 1 OR { 315} (( segid "HID " and resid 721 and name HA )) (( segid "HID " and resid 721 and name HB2 )) OR { 315} (( segid "HID " and resid 669 and name HA )) (( segid "HID " and resid 672 and name HB1 )) ASSI { 320} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 639 and name HD1 )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 1.669 ppm2 4.208 CV 1 OR { 320} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 687 and name HD2 )) OR { 320} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 687 and name HD1 )) ASSI { 324} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 668 and name HD1 )) 4.300 2.300 1.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.28884E-03 ppm1 1.642 ppm2 3.738 CV 1 OR { 324} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 668 and name HD2 )) OR { 324} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 668 and name HD1 )) ASSI { 329} (( segid "HID " and resid 667 and name HD2 )) (( segid "HID " and resid 667 and name HB2 )) 2.500 0.800 0.800 peak 329 spectrum 1 weight 0.10000E+01 volume 0.49602E-02 ppm1 1.901 ppm2 3.195 CV 1 OR { 329} (( segid "HID " and resid 667 and name HD1 )) (( segid "HID " and resid 667 and name HB2 )) OR { 329} (( segid "HID " and resid 632 and name HD2 )) (( segid "HID " and resid 632 and name HB2 )) OR { 329} (( segid "HID " and resid 667 and name HD1 )) (( segid "HID " and resid 667 and name HB1 )) ASSI { 330} (( segid "HID " and resid 632 and name HD2 )) (( segid "HID " and resid 632 and name HB1 )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.13598E-02 ppm1 2.019 ppm2 3.192 CV 1 OR { 330} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 619 and name HB2 )) ASSI { 335} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 616 and name HB2 )) 2.100 0.500 0.500 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13295E-01 ppm1 1.932 ppm2 4.140 CV 1 OR { 335} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 614 and name HB2 )) OR { 335} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 635 and name HB2 )) OR { 335} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HB2 )) ASSI { 336} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HB1 )) 1.900 0.500 0.500 peak 336 spectrum 1 weight 0.10000E+01 volume 0.23654E-01 ppm1 2.020 ppm2 4.129 CV 1 OR { 336} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 723 and name HB2 )) OR { 336} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HB1 )) OR { 336} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 614 and name HB1 )) OR { 336} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 723 and name HB1 )) OR { 336} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 616 and name HB1 )) ASSI { 344} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HD2 )) 3.300 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.15184E-02 ppm1 1.704 ppm2 4.081 CV 1 OR { 344} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HD1 )) OR { 344} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 716 and name HD1 )) ASSI { 353} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 689 and name HB2 )) 2.900 1.000 1.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 1.784 ppm2 4.414 CV 1 OR { 353} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HB2 )) ASSI { 363} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 612 and name HB2 )) 3.800 1.800 1.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.28344E-03 ppm1 1.693 ppm2 2.912 CV 1 OR { 363} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 612 and name HB2 )) OR { 363} (( segid "HID " and resid 611 and name HB2 )) (( segid "HID " and resid 612 and name HB2 )) ASSI { 367} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HB2 )) 2.000 0.500 0.500 peak 367 spectrum 1 weight 0.10000E+01 volume 0.16568E-01 ppm1 1.911 ppm2 3.987 CV 1 OR { 367} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 639 and name HB2 )) OR { 367} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 639 and name HB1 )) OR { 367} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HB1 )) ASSI { 368} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 696 and name HB )) 2.500 0.800 0.800 peak 368 spectrum 1 weight 0.10000E+01 volume 0.38804E-02 ppm1 1.967 ppm2 3.751 CV 1 OR { 368} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 668 and name HB1 )) OR { 368} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 698 and name HB2 )) ASSI { 371} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 622 and name HB )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.42516E-02 ppm1 2.094 ppm2 4.031 CV 1 OR { 371} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 633 and name HB )) ASSI { 376} (( segid "HID " and resid 714 and name HA )) (( segid "HID " and resid 717 and name HB )) 3.500 1.500 1.500 peak 376 spectrum 1 weight 0.10000E+01 volume 0.58713E-03 ppm1 2.064 ppm2 4.535 CV 1 OR { 376} (( segid "HID " and resid 662 and name HA )) (( segid "HID " and resid 664 and name HB )) ASSI { 377} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 716 and name HB1 )) 2.300 0.600 0.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.59727E-02 ppm1 1.884 ppm2 4.164 CV 1 OR { 377} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 716 and name HB2 )) OR { 377} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HB2 )) ASSI { 390} (( segid "HID " and resid 687 and name HE2 )) (( segid "HID " and resid 687 and name HB2 )) 3.600 1.600 1.600 peak 390 spectrum 1 weight 0.10000E+01 volume 0.69171E-03 ppm1 1.826 ppm2 2.984 CV 1 OR { 390} (( segid "HID " and resid 651 and name HE2 )) (( segid "HID " and resid 651 and name HB2 )) OR { 390} (( segid "HID " and resid 687 and name HE1 )) (( segid "HID " and resid 687 and name HB1 )) OR { 390} (( segid "HID " and resid 687 and name HE1 )) (( segid "HID " and resid 687 and name HB2 )) OR { 390} (( segid "HID " and resid 651 and name HE1 )) (( segid "HID " and resid 651 and name HB2 )) ASSI { 391} (( segid "HID " and resid 678 and name HA )) (( segid "HID " and resid 681 and name HB )) 2.700 0.900 0.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.25510E-02 ppm1 1.788 ppm2 3.509 CV 1 OR { 391} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 681 and name HB )) ASSI { 392} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 649 and name HG2 )) 2.700 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.24126E-02 ppm1 2.206 ppm2 3.810 CV 1 OR { 392} (( segid "HID " and resid 704 and name HA )) (( segid "HID " and resid 704 and name HG1 )) OR { 392} (( segid "HID " and resid 704 and name HA )) (( segid "HID " and resid 704 and name HG2 )) ASSI { 393} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 619 and name HG1 )) 2.500 0.800 0.800 peak 393 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 2.173 ppm2 4.030 CV 1 OR { 393} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 619 and name HG2 )) OR { 393} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 706 and name HG2 )) ASSI { 394} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 619 and name HG2 )) 3.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.30031E-02 ppm1 2.209 ppm2 3.965 CV 1 OR { 394} (( segid "HID " and resid 646 and name HA )) (( segid "HID " and resid 649 and name HG2 )) OR { 394} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 704 and name HG2 )) OR { 394} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 619 and name HG1 )) OR { 394} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 704 and name HG1 )) ASSI { 395} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 709 and name HG1 )) 2.200 0.600 0.600 peak 395 spectrum 1 weight 0.10000E+01 volume 0.11945E-01 ppm1 2.355 ppm2 4.167 CV 1 OR { 395} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HG2 )) OR { 395} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 709 and name HG2 )) ASSI { 396} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 616 and name HG1 )) 2.200 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.11540E-01 ppm1 2.240 ppm2 4.140 CV 1 OR { 396} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 723 and name HG1 )) OR { 396} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 616 and name HG2 )) OR { 396} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 614 and name HG1 )) OR { 396} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 723 and name HG2 )) ASSI { 405} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 695 and name HB )) 3.100 1.200 1.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.12215E-02 ppm1 2.026 ppm2 3.779 CV 1 OR { 405} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 695 and name HB )) ASSI { 406} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 647 and name HG2 )) 2.500 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.68498E-02 ppm1 2.339 ppm2 4.085 CV 1 OR { 406} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 647 and name HG1 )) OR { 406} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 720 and name HG1 )) ASSI { 430} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 620 and name HB2 )) 3.000 1.100 1.100 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 1.563 ppm2 3.949 CV 1 OR { 430} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 620 and name HB2 )) ASSI { 432} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 620 and name HB1 )) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.14442E-02 ppm1 1.720 ppm2 3.944 CV 1 OR { 432} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 620 and name HB1 )) ASSI { 434} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 628 and name HB1 )) 2.600 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.29626E-02 ppm1 1.896 ppm2 4.153 CV 1 OR { 434} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 628 and name HB2 )) OR { 434} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 628 and name HB2 )) ASSI { 438} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 641 and name HB2 )) 3.700 1.700 1.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.35767E-03 ppm1 1.273 ppm2 3.964 CV 1 OR { 438} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 685 and name HB2 )) OR { 438} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 685 and name HB2 )) ASSI { 443} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 624 and name HB2 )) 4.000 2.000 2.000 peak 443 spectrum 1 weight 0.10000E+01 volume 0.60399E-03 ppm1 1.571 ppm2 4.141 CV 1 OR { 443} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 624 and name HB2 )) ASSI { 444} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 685 and name HB1 )) 4.300 2.300 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.64452E-03 ppm1 2.076 ppm2 3.522 CV 1 OR { 444} (( segid "HID " and resid 707 and name HB1 )) (( segid "HID " and resid 624 and name HB1 )) ASSI { 453} (( segid "HID " and resid 662 and name HB1 )) ( segid "HID " and resid 665 and name HD1%) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 0.837 ppm2 3.953 CV 1 OR { 453} (( segid "HID " and resid 626 and name HA )) ( segid "HID " and resid 665 and name HD1%) ASSI { 455} (( segid "HID " and resid 629 and name HA )) ( segid "HID " and resid 665 and name HD1%) 4.300 2.300 1.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.37117E-03 ppm1 0.809 ppm2 4.160 CV 1 OR { 455} (( segid "HID " and resid 663 and name HA )) ( segid "HID " and resid 665 and name HD1%) ASSI { 457} (( segid "HID " and resid 657 and name HB )) ( segid "HID " and resid 637 and name HD1%) 2.800 1.000 1.000 peak 457 spectrum 1 weight 0.10000E+01 volume 0.25206E-02 ppm1 0.929 ppm2 4.113 CV 1 OR { 457} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 637 and name HD1%) ASSI { 459} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 667 and name HA )) 2.700 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.32191E-02 ppm1 3.881 ppm2 0.844 CV 1 OR { 459} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 635 and name HA )) OR { 459} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 667 and name HA )) OR { 459} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 635 and name HA )) ASSI { 460} (( segid "HID " and resid 692 and name HA )) ( segid "HID " and resid 695 and name HD1%) 2.400 0.700 0.700 peak 460 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 0.880 ppm2 4.051 CV 1 OR { 460} (( segid "SID " and resid 223 and name HA )) ( segid "HID " and resid 695 and name HD1%) ASSI { 461} (( segid "HID " and resid 628 and name HA )) ( segid "HID " and resid 631 and name HD1%) 3.300 1.400 1.400 peak 461 spectrum 1 weight 0.10000E+01 volume 0.24498E-02 ppm1 0.748 ppm2 4.143 CV 1 OR { 461} (( segid "HID " and resid 632 and name HA )) ( segid "HID " and resid 631 and name HD1%) ASSI { 462} (( segid "HID " and resid 701 and name HA )) ( segid "HID " and resid 631 and name HD1%) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.25206E-02 ppm1 0.745 ppm2 3.956 CV 1 OR { 462} (( segid "HID " and resid 700 and name HA )) ( segid "HID " and resid 631 and name HD1%) ASSI { 478} (( segid "HID " and resid 692 and name HA )) ( segid "HID " and resid 695 and name HG2%) 4.100 2.100 1.900 peak 478 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 0.910 ppm2 4.057 CV 1 OR { 478} (( segid "SID " and resid 223 and name HA )) ( segid "HID " and resid 695 and name HG2%) ASSI { 485} (( segid "SID " and resid 218 and name HB1 )) ( segid "HID " and resid 695 and name HG2%) 3.700 1.700 1.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.86048E-03 ppm1 0.908 ppm2 2.156 CV 1 OR { 485} (( segid "HID " and resid 694 and name HG1 )) ( segid "HID " and resid 695 and name HG2%) ASSI { 491} (( segid "HID " and resid 632 and name HA )) ( segid "HID " and resid 631 and name HG2%) 3.000 1.100 1.100 peak 491 spectrum 1 weight 0.10000E+01 volume 0.22608E-02 ppm1 0.824 ppm2 4.129 CV 1 OR { 491} (( segid "HID " and resid 628 and name HA )) ( segid "HID " and resid 631 and name HG2%) ASSI { 493} (( segid "HID " and resid 701 and name HA )) ( segid "HID " and resid 631 and name HG2%) 3.900 1.900 1.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.51964E-03 ppm1 0.838 ppm2 3.954 CV 1 OR { 493} (( segid "HID " and resid 697 and name HA )) ( segid "HID " and resid 631 and name HG2%) ASSI { 495} (( segid "HID " and resid 626 and name HA )) ( segid "HID " and resid 665 and name HG2%) 3.000 1.100 1.100 peak 495 spectrum 1 weight 0.10000E+01 volume 0.18660E-02 ppm1 0.747 ppm2 3.986 CV 1 OR { 495} (( segid "HID " and resid 662 and name HB1 )) ( segid "HID " and resid 665 and name HG2%) ASSI { 500} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 681 and name HG2%) 3.600 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.83010E-03 ppm1 0.523 ppm2 2.086 CV 1 OR { 500} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 681 and name HG2%) OR { 500} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 681 and name HG2%) ASSI { 502} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 681 and name HG2%) 3.400 1.500 1.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.83682E-03 ppm1 0.522 ppm2 1.249 CV 1 OR { 502} (( segid "HID " and resid 685 and name HB2 )) ( segid "HID " and resid 681 and name HG2%) ASSI { 505} (( segid "HID " and resid 679 and name HA )) ( segid "HID " and resid 682 and name HG2%) 3.600 1.600 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.96843E-03 ppm1 0.916 ppm2 3.963 CV 1 OR { 505} (( segid "HID " and resid 686 and name HA )) ( segid "HID " and resid 682 and name HG2%) ASSI { 516} (( segid "HID " and resid 631 and name HG11)) ( segid "HID " and resid 631 and name HG2%) 2.500 0.800 0.800 peak 516 spectrum 1 weight 0.10000E+01 volume 0.41166E-02 ppm1 0.826 ppm2 1.904 CV 1 OR { 516} (( segid "HID " and resid 635 and name HB2 )) ( segid "HID " and resid 631 and name HG2%) ASSI { 519} (( segid "HID " and resid 633 and name HA )) ( segid "HID " and resid 636 and name HB% ) 2.600 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.37117E-02 ppm1 1.623 ppm2 3.902 CV 1 OR { 519} (( segid "HID " and resid 711 and name HA )) ( segid "HID " and resid 710 and name HB% ) ASSI { 520} (( segid "HID " and resid 679 and name HA )) ( segid "HID " and resid 679 and name HB% ) 2.000 0.500 0.500 peak 520 spectrum 1 weight 0.10000E+01 volume 0.17749E-01 ppm1 1.474 ppm2 3.973 CV 1 OR { 520} (( segid "HID " and resid 646 and name HA )) ( segid "HID " and resid 646 and name HB% ) ASSI { 523} (( segid "HID " and resid 637 and name HA )) ( segid "HID " and resid 636 and name HB% ) 3.600 1.600 1.600 peak 523 spectrum 1 weight 0.10000E+01 volume 0.76597E-03 ppm1 1.627 ppm2 3.766 CV 1 OR { 523} (( segid "HID " and resid 665 and name HA )) ( segid "HID " and resid 629 and name HB% ) ASSI { 528} (( segid "HID " and resid 680 and name HA )) ( segid "HID " and resid 679 and name HB% ) 3.800 1.800 1.800 peak 528 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 1.472 ppm2 4.394 CV 1 OR { 528} (( segid "HID " and resid 645 and name HB1 )) ( segid "HID " and resid 646 and name HB% ) ASSI { 529} (( segid "HID " and resid 670 and name HA )) ( segid "HID " and resid 678 and name HB% ) 3.800 1.800 1.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.57700E-03 ppm1 1.452 ppm2 4.554 CV 1 OR { 529} (( segid "HID " and resid 676 and name HA )) ( segid "HID " and resid 678 and name HB% ) ASSI { 530} (( segid "HID " and resid 677 and name HA )) ( segid "HID " and resid 679 and name HB% ) 4.200 2.200 1.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 1.448 ppm2 4.707 CV 1 OR { 530} (( segid "HID " and resid 677 and name HA )) ( segid "HID " and resid 678 and name HB% ) OR { 530} (( segid "HID " and resid 674 and name HA )) ( segid "HID " and resid 678 and name HB% ) ASSI { 533} (( segid "HID " and resid 707 and name HB2 )) ( segid "HID " and resid 710 and name HB% ) 4.400 2.400 1.600 peak 533 spectrum 1 weight 0.10000E+01 volume 0.31685E-03 ppm1 1.589 ppm2 3.102 CV 1 OR { 533} (( segid "HID " and resid 714 and name HB2 )) ( segid "HID " and resid 710 and name HB% ) ASSI { 534} (( segid "HID " and resid 700 and name HA )) ( segid "HID " and resid 673 and name HG2%) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.32629E-03 ppm1 1.213 ppm2 3.985 CV 1 OR { 534} (( segid "HID " and resid 672 and name HA )) ( segid "HID " and resid 673 and name HG2%) ASSI { 544} (( segid "HID " and resid 630 and name HB )) ( segid "HID " and resid 669 and name HB% ) 2.700 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.37117E-02 ppm1 1.688 ppm2 4.275 CV 1 OR { 544} (( segid "HID " and resid 626 and name HB )) ( segid "HID " and resid 669 and name HB% ) ASSI { 570} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 673 and name HA )) 3.600 1.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.73560E-03 ppm1 5.179 ppm2 1.415 CV 1 OR { 570} (( segid "SID " and resid 211 and name HB2 )) (( segid "HID " and resid 673 and name HA )) ASSI { 572} (( segid "HID " and resid 672 and name HG1 )) ( segid "HID " and resid 623 and name HG2%) 3.300 1.300 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.99544E-03 ppm1 0.028 ppm2 1.680 CV 1 OR { 572} ( segid "HID " and resid 669 and name HB% ) ( segid "HID " and resid 623 and name HG2%) ASSI { 573} (( segid "HID " and resid 672 and name HG2 )) ( segid "HID " and resid 623 and name HG2%) 3.500 1.500 1.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 0.032 ppm2 1.609 CV 1 OR { 573} (( segid "HID " and resid 624 and name HB2 )) ( segid "HID " and resid 623 and name HG2%) ASSI { 574} ( segid "HID " and resid 624 and name HD1%) ( segid "HID " and resid 623 and name HG2%) 4.100 2.100 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.40491E-03 ppm1 0.022 ppm2 1.306 CV 1 OR { 574} ( segid "HID " and resid 626 and name HG2%) ( segid "HID " and resid 623 and name HG2%) ASSI { 576} (( segid "HID " and resid 672 and name HB1 )) ( segid "HID " and resid 623 and name HG2%) 4.000 2.000 2.000 peak 576 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 0.028 ppm2 2.070 CV 1 OR { 576} (( segid "HID " and resid 672 and name HB2 )) ( segid "HID " and resid 623 and name HG2%) OR { 576} (( segid "HID " and resid 622 and name HB )) ( segid "HID " and resid 623 and name HG2%) ASSI { 577} (( segid "HID " and resid 717 and name HB )) ( segid "HID " and resid 717 and name HG2%) 1.900 0.400 0.400 peak 577 spectrum 1 weight 0.10000E+01 volume 0.21224E-01 ppm1 0.862 ppm2 2.088 CV 1 OR { 577} (( segid "HID " and resid 633 and name HB )) ( segid "HID " and resid 633 and name HG2%) OR { 577} (( segid "HID " and resid 622 and name HB )) ( segid "HID " and resid 622 and name HG1%) OR { 577} (( segid "HID " and resid 664 and name HB )) ( segid "HID " and resid 664 and name HG2%) ASSI { 578} (( segid "HID " and resid 721 and name HG1 )) ( segid "HID " and resid 717 and name HG2%) 3.100 1.200 1.200 peak 578 spectrum 1 weight 0.10000E+01 volume 0.98530E-03 ppm1 0.867 ppm2 2.360 CV 1 OR { 578} (( segid "HID " and resid 720 and name HG1 )) ( segid "HID " and resid 717 and name HG2%) OR { 578} (( segid "HID " and resid 625 and name HG2 )) ( segid "HID " and resid 622 and name HG1%) ASSI { 580} (( segid "HID " and resid 668 and name HG2 )) ( segid "HID " and resid 664 and name HG2%) 4.000 2.000 2.000 peak 580 spectrum 1 weight 0.10000E+01 volume 0.52302E-03 ppm1 0.913 ppm2 1.425 CV 1 OR { 580} (( segid "HID " and resid 665 and name HG11)) ( segid "HID " and resid 664 and name HG2%) ASSI { 582} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 633 and name HG2%) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.24565E-02 ppm1 0.852 ppm2 1.903 CV 1 OR { 582} (( segid "HID " and resid 623 and name HB )) ( segid "HID " and resid 622 and name HG1%) OR { 582} (( segid "HID " and resid 716 and name HB2 )) ( segid "HID " and resid 717 and name HG2%) OR { 582} (( segid "HID " and resid 716 and name HB1 )) ( segid "HID " and resid 717 and name HG2%) ASSI { 584} (( segid "HID " and resid 658 and name HB1 )) ( segid "HID " and resid 633 and name HG2%) 3.500 1.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.11068E-02 ppm1 0.853 ppm2 1.722 CV 1 OR { 584} (( segid "HID " and resid 632 and name HG2 )) ( segid "HID " and resid 633 and name HG2%) ASSI { 591} (( segid "HID " and resid 665 and name HB )) ( segid "HID " and resid 664 and name HG1%) 3.300 1.300 1.300 peak 591 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 0.991 ppm2 1.632 CV 1 OR { 591} ( segid "HID " and resid 629 and name HB% ) ( segid "HID " and resid 664 and name HG1%) ASSI { 594} (( segid "HID " and resid 672 and name HD2 )) ( segid "HID " and resid 623 and name HG1%) 3.400 1.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.95492E-03 ppm1 0.507 ppm2 2.667 CV 1 OR { 594} (( segid "HID " and resid 672 and name HD1 )) ( segid "HID " and resid 623 and name HG1%) OR { 594} (( segid "HID " and resid 621 and name HB2 )) ( segid "HID " and resid 623 and name HG1%) ASSI { 595} (( segid "HID " and resid 624 and name HB2 )) ( segid "HID " and resid 623 and name HG1%) 3.800 1.800 1.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 0.508 ppm2 1.610 CV 1 OR { 595} (( segid "HID " and resid 620 and name HG )) ( segid "HID " and resid 623 and name HG1%) ASSI { 597} (( segid "HID " and resid 638 and name HG1 )) ( segid "HID " and resid 693 and name HG2%) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.55001E-02 ppm1 0.859 ppm2 2.232 CV 1 OR { 597} (( segid "HID " and resid 638 and name HG2 )) ( segid "HID " and resid 693 and name HG2%) OR { 597} (( segid "HID " and resid 648 and name HG2 )) ( segid "HID " and resid 644 and name HD1%) OR { 597} (( segid "HID " and resid 649 and name HG2 )) ( segid "HID " and resid 644 and name HD1%) OR { 597} (( segid "HID " and resid 649 and name HB1 )) ( segid "HID " and resid 644 and name HD1%) ASSI { 602} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 693 and name HG2%) 3.000 1.100 1.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.35767E-02 ppm1 0.860 ppm2 1.267 CV 1 OR { 602} (( segid "HID " and resid 685 and name HB2 )) ( segid "HID " and resid 693 and name HG2%) ASSI { 603} (( segid "HID " and resid 701 and name HD2 )) ( segid "HID " and resid 700 and name HD1%) 2.900 2.900 3.100 peak 603 spectrum 1 weight 0.10000E+01 volume 0.18457E-02 ppm1 0.967 ppm2 1.561 CV 1 OR { 603} (( segid "HID " and resid 701 and name HD1 )) ( segid "HID " and resid 700 and name HD1%) OR { 603} (( segid "HID " and resid 672 and name HG2 )) ( segid "HID " and resid 700 and name HD1%) ASSI { 608} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 633 and name HG1%) 3.600 1.600 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 1.120 ppm2 1.906 CV 1 OR { 608} (( segid "HID " and resid 632 and name HB2 )) ( segid "HID " and resid 633 and name HG1%) ASSI { 609} ( segid "HID " and resid 629 and name HB% ) ( segid "HID " and resid 633 and name HG1%) 3.200 1.200 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 1.118 ppm2 1.629 CV 1 OR { 609} (( segid "HID " and resid 665 and name HB )) ( segid "HID " and resid 633 and name HG1%) ASSI { 613} (( segid "HID " and resid 634 and name HB1 )) ( segid "HID " and resid 630 and name HG2%) 3.200 1.200 1.200 peak 613 spectrum 1 weight 0.10000E+01 volume 0.23856E-02 ppm1 1.191 ppm2 2.087 CV 1 OR { 613} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 630 and name HG2%) OR { 613} (( segid "HID " and resid 637 and name HB )) ( segid "HID " and resid 657 and name HG2%) OR { 613} (( segid "HID " and resid 633 and name HB )) ( segid "HID " and resid 630 and name HG2%) ASSI { 614} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 630 and name HG2%) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.24869E-02 ppm1 1.189 ppm2 1.909 CV 1 OR { 614} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 657 and name HG2%) ASSI { 616} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 630 and name HG2%) 3.000 3.000 3.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.13936E-02 ppm1 1.186 ppm2 1.510 CV 1 OR { 616} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 657 and name HG2%) ASSI { 620} ( segid "HID " and resid 669 and name HB% ) ( segid "HID " and resid 626 and name HG2%) 2.300 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.61077E-02 ppm1 1.310 ppm2 1.681 CV 1 OR { 620} (( segid "HID " and resid 665 and name HB )) ( segid "HID " and resid 626 and name HG2%) ASSI { 624} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 658 and name HD1%) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 0.730 ppm2 2.078 CV 1 OR { 624} (( segid "HID " and resid 633 and name HB )) ( segid "HID " and resid 658 and name HD1%) OR { 624} (( segid "HID " and resid 634 and name HB1 )) ( segid "HID " and resid 658 and name HD1%) ASSI { 625} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 658 and name HD1%) 2.900 1.100 1.100 peak 625 spectrum 1 weight 0.10000E+01 volume 0.14341E-02 ppm1 0.733 ppm2 1.896 CV 1 OR { 625} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 658 and name HD1%) ASSI { 628} (( segid "HID " and resid 654 and name HB2 )) ( segid "HID " and resid 658 and name HD1%) 3.300 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.15184E-02 ppm1 0.729 ppm2 1.639 CV 1 OR { 628} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 658 and name HD1%) ASSI { 629} (( segid "HID " and resid 620 and name HG )) ( segid "HID " and resid 620 and name HD2%) 2.100 0.600 0.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.11607E-01 ppm1 0.851 ppm2 1.585 CV 1 OR { 629} (( segid "HID " and resid 727 and name HB1 )) ( segid "HID " and resid 727 and name HD2%) OR { 629} (( segid "HID " and resid 620 and name HB2 )) ( segid "HID " and resid 620 and name HD2%) ASSI { 631} (( segid "HID " and resid 624 and name HG )) ( segid "HID " and resid 620 and name HD2%) 2.600 2.600 3.400 peak 631 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 0.851 ppm2 1.777 CV 1 OR { 631} (( segid "HID " and resid 658 and name HB1 )) ( segid "HID " and resid 634 and name HD2%) OR { 631} (( segid "HID " and resid 700 and name HB1 )) ( segid "HID " and resid 634 and name HD2%) OR { 631} (( segid "HID " and resid 654 and name HB1 )) ( segid "HID " and resid 634 and name HD2%) ASSI { 633} (( segid "HID " and resid 634 and name HB1 )) ( segid "HID " and resid 634 and name HD2%) 2.300 0.600 0.600 peak 633 spectrum 1 weight 0.10000E+01 volume 0.97179E-02 ppm1 0.866 ppm2 2.088 CV 1 OR { 633} (( segid "HID " and resid 711 and name HB2 )) ( segid "HID " and resid 620 and name HD2%) ASSI { 635} (( segid "HID " and resid 628 and name HB2 )) ( segid "HID " and resid 628 and name HD1%) 2.000 0.500 0.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.18862E-01 ppm1 0.987 ppm2 1.904 CV 1 OR { 635} (( segid "HID " and resid 632 and name HG1 )) ( segid "HID " and resid 628 and name HD1%) OR { 635} (( segid "HID " and resid 628 and name HB1 )) ( segid "HID " and resid 628 and name HD1%) ASSI { 640} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 696 and name HG1%) 3.200 1.300 1.300 peak 640 spectrum 1 weight 0.10000E+01 volume 0.17243E-02 ppm1 1.047 ppm2 1.627 CV 1 OR { 640} (( segid "HID " and resid 697 and name HG )) ( segid "HID " and resid 696 and name HG1%) ASSI { 641} ( segid "HID " and resid 657 and name HG2%) ( segid "HID " and resid 658 and name HD1%) 3.300 1.300 1.300 peak 641 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 0.732 ppm2 1.193 CV 1 OR { 641} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 658 and name HD1%) ASSI { 644} (( segid "HID " and resid 637 and name HG12)) ( segid "HID " and resid 654 and name HD1%) 3.400 1.400 1.400 peak 644 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 0.922 ppm2 1.353 CV 1 OR { 644} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 654 and name HD1%) ASSI { 645} (( segid "HID " and resid 697 and name HG )) ( segid "HID " and resid 697 and name HD1%) 1.900 0.400 0.400 peak 645 spectrum 1 weight 0.10000E+01 volume 0.22945E-01 ppm1 0.911 ppm2 1.594 CV 1 OR { 645} (( segid "HID " and resid 620 and name HG )) ( segid "HID " and resid 620 and name HD1%) OR { 645} (( segid "HID " and resid 620 and name HB2 )) ( segid "HID " and resid 620 and name HD1%) ASSI { 647} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 685 and name HD2%) 2.200 0.600 0.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.89758E-02 ppm1 0.731 ppm2 1.255 CV 1 OR { 647} (( segid "HID " and resid 685 and name HB2 )) ( segid "HID " and resid 685 and name HD2%) ASSI { 653} (( segid "HID " and resid 689 and name HB2 )) ( segid "HID " and resid 641 and name HD1%) 2.300 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.47240E-02 ppm1 0.631 ppm2 1.796 CV 1 OR { 653} (( segid "HID " and resid 641 and name HB1 )) ( segid "HID " and resid 641 and name HD1%) ASSI { 654} (( segid "HID " and resid 638 and name HG2 )) ( segid "HID " and resid 641 and name HD1%) 3.100 1.200 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 0.632 ppm2 2.226 CV 1 OR { 654} (( segid "HID " and resid 638 and name HG1 )) ( segid "HID " and resid 641 and name HD1%) OR { 654} (( segid "HID " and resid 649 and name HG2 )) ( segid "HID " and resid 641 and name HD1%) OR { 654} (( segid "HID " and resid 638 and name HB1 )) ( segid "HID " and resid 641 and name HD1%) ASSI { 655} (( segid "HID " and resid 693 and name HB )) ( segid "HID " and resid 641 and name HD1%) 3.400 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.84697E-03 ppm1 0.636 ppm2 2.423 CV 1 OR { 655} (( segid "HID " and resid 648 and name HG1 )) ( segid "HID " and resid 644 and name HD2%) ASSI { 659} (( segid "HID " and resid 637 and name HB )) ( segid "HID " and resid 693 and name HG1%) 3.100 1.200 1.200 peak 659 spectrum 1 weight 0.10000E+01 volume 0.16601E-02 ppm1 1.038 ppm2 2.136 CV 1 OR { 659} (( segid "HID " and resid 694 and name HG1 )) ( segid "HID " and resid 693 and name HG1%) ASSI { 661} (( segid "HID " and resid 689 and name HB2 )) ( segid "HID " and resid 693 and name HG1%) 3.000 1.100 1.100 peak 661 spectrum 1 weight 0.10000E+01 volume 0.35767E-02 ppm1 1.041 ppm2 1.805 CV 1 OR { 661} (( segid "HID " and resid 641 and name HB1 )) ( segid "HID " and resid 693 and name HG1%) ASSI { 662} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 693 and name HG1%) 3.400 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 1.037 ppm2 1.623 CV 1 OR { 662} (( segid "HID " and resid 697 and name HG )) ( segid "HID " and resid 693 and name HG1%) ASSI { 663} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 693 and name HG1%) 3.400 1.400 1.400 peak 663 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 1.043 ppm2 1.359 CV 1 OR { 663} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 693 and name HG1%) ASSI { 664} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 693 and name HG1%) 3.200 1.300 1.300 peak 664 spectrum 1 weight 0.10000E+01 volume 0.18120E-02 ppm1 1.042 ppm2 1.256 CV 1 OR { 664} (( segid "HID " and resid 641 and name HB2 )) ( segid "HID " and resid 693 and name HG1%) ASSI { 667} (( segid "HID " and resid 711 and name HB1 )) ( segid "HID " and resid 624 and name HD2%) 2.900 1.100 1.100 peak 667 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 0.922 ppm2 2.413 CV 1 OR { 667} (( segid "HID " and resid 711 and name HG1 )) ( segid "HID " and resid 624 and name HD2%) OR { 667} (( segid "HID " and resid 711 and name HG1 )) ( segid "HID " and resid 620 and name HD1%) ASSI { 669} (( segid "HID " and resid 711 and name HB2 )) ( segid "HID " and resid 624 and name HD2%) 2.100 0.600 0.600 peak 669 spectrum 1 weight 0.10000E+01 volume 0.10190E-01 ppm1 0.920 ppm2 2.120 CV 1 OR { 669} (( segid "HID " and resid 624 and name HB1 )) ( segid "HID " and resid 624 and name HD2%) ASSI { 674} (( segid "HID " and resid 624 and name HG )) ( segid "HID " and resid 624 and name HD2%) 2.000 0.500 0.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.14139E-01 ppm1 0.918 ppm2 1.776 CV 1 OR { 674} (( segid "HID " and resid 654 and name HB1 )) ( segid "HID " and resid 654 and name HD2%) ASSI { 675} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 685 and name HD1%) 2.200 0.600 0.600 peak 675 spectrum 1 weight 0.10000E+01 volume 0.93805E-02 ppm1 0.823 ppm2 2.069 CV 1 OR { 675} (( segid "HID " and resid 634 and name HB1 )) ( segid "HID " and resid 634 and name HD1%) ASSI { 679} (( segid "HID " and resid 685 and name HB2 )) ( segid "HID " and resid 685 and name HD1%) 2.300 0.600 0.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.80308E-02 ppm1 0.816 ppm2 1.227 CV 1 OR { 679} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 634 and name HD1%) ASSI { 684} (( segid "HID " and resid 648 and name HB2 )) ( segid "HID " and resid 644 and name HD2%) 2.900 1.100 1.100 peak 684 spectrum 1 weight 0.10000E+01 volume 0.30031E-02 ppm1 0.667 ppm2 2.136 CV 1 OR { 684} (( segid "HID " and resid 689 and name HG1 )) ( segid "HID " and resid 641 and name HD1%) ASSI { 685} (( segid "HID " and resid 648 and name HG2 )) ( segid "HID " and resid 644 and name HD2%) 3.200 1.300 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 0.666 ppm2 2.257 CV 1 OR { 685} (( segid "HID " and resid 638 and name HG2 )) ( segid "HID " and resid 641 and name HD1%) OR { 685} (( segid "HID " and resid 638 and name HG1 )) ( segid "HID " and resid 641 and name HD1%) OR { 685} (( segid "HID " and resid 638 and name HB1 )) ( segid "HID " and resid 641 and name HD1%) ASSI { 690} (( segid "HID " and resid 673 and name HG11)) ( segid "HID " and resid 700 and name HD2%) 3.000 1.100 1.100 peak 690 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 0.807 ppm2 1.410 CV 1 OR { 690} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 700 and name HD2%) OR { 690} (( segid "HID " and resid 670 and name HB2 )) ( segid "HID " and resid 700 and name HD2%) ASSI { 700} (( segid "HID " and resid 631 and name HG11)) ( segid "HID " and resid 700 and name HD2%) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.18288E-02 ppm1 0.821 ppm2 1.906 CV 1 OR { 700} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 700 and name HD2%) ASSI { 708} (( segid "SID " and resid 219 and name HB2 )) ( segid "HID " and resid 681 and name HD1%) 3.300 1.400 1.400 peak 708 spectrum 1 weight 0.10000E+01 volume 0.98193E-03 ppm1 0.206 ppm2 2.393 CV 1 OR { 708} (( segid "HID " and resid 680 and name HB2 )) ( segid "HID " and resid 681 and name HD1%) ASSI { 718} (( segid "HID " and resid 665 and name HB )) ( segid "HID " and resid 665 and name HD1%) 2.200 0.600 0.600 peak 718 spectrum 1 weight 0.10000E+01 volume 0.86384E-02 ppm1 0.807 ppm2 1.649 CV 1 OR { 718} ( segid "HID " and resid 629 and name HB% ) ( segid "HID " and resid 665 and name HD1%) ASSI { 722} (( segid "HID " and resid 631 and name HG11)) ( segid "HID " and resid 631 and name HD1%) 2.200 0.600 0.600 peak 722 spectrum 1 weight 0.10000E+01 volume 0.78621E-02 ppm1 0.746 ppm2 1.901 CV 1 OR { 722} (( segid "HID " and resid 704 and name HB2 )) ( segid "HID " and resid 631 and name HD1%) ASSI { 726} ( segid "HID " and resid 678 and name HB% ) ( segid "HID " and resid 682 and name HD1%) 2.400 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.69171E-02 ppm1 0.845 ppm2 1.456 CV 1 OR { 726} (( segid "HID " and resid 670 and name HB2 )) ( segid "HID " and resid 682 and name HD1%) OR { 726} (( segid "HID " and resid 667 and name HG2 )) ( segid "HID " and resid 682 and name HD1%) ASSI { 731} (( segid "HID " and resid 640 and name HD2 )) ( segid "HID " and resid 637 and name HD1%) 3.000 1.100 1.100 peak 731 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 0.930 ppm2 1.727 CV 1 OR { 731} (( segid "HID " and resid 640 and name HD1 )) ( segid "HID " and resid 637 and name HD1%) OR { 731} (( segid "HID " and resid 658 and name HB1 )) ( segid "HID " and resid 637 and name HD1%) OR { 731} (( segid "HID " and resid 654 and name HB1 )) ( segid "HID " and resid 637 and name HD1%) ASSI { 741} (( segid "HID " and resid 700 and name HG )) ( segid "HID " and resid 673 and name HD1%) 3.400 1.500 1.500 peak 741 spectrum 1 weight 0.10000E+01 volume 0.93132E-03 ppm1 0.679 ppm2 2.007 CV 1 OR { 741} (( segid "HID " and resid 672 and name HB1 )) ( segid "HID " and resid 673 and name HD1%) OR { 741} (( segid "HID " and resid 672 and name HB2 )) ( segid "HID " and resid 673 and name HD1%) ASSI { 742} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 673 and name HD1%) 3.700 1.800 1.800 peak 742 spectrum 1 weight 0.10000E+01 volume 0.77948E-03 ppm1 0.675 ppm2 2.075 CV 1 OR { 742} (( segid "HID " and resid 672 and name HB1 )) ( segid "HID " and resid 673 and name HD1%) OR { 742} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 673 and name HD1%) OR { 742} (( segid "HID " and resid 672 and name HB2 )) ( segid "HID " and resid 673 and name HD1%) ASSI { 747} ( segid "HID " and resid 700 and name HD1%) ( segid "HID " and resid 673 and name HD1%) 2.300 0.700 0.700 peak 747 spectrum 1 weight 0.10000E+01 volume 0.67484E-02 ppm1 0.677 ppm2 0.969 CV 1 OR { 747} ( segid "HID " and resid 670 and name HD1%) ( segid "HID " and resid 673 and name HD1%) ASSI { 748} (( segid "HID " and resid 697 and name HG )) ( segid "HID " and resid 631 and name HG2%) 3.100 1.200 1.200 peak 748 spectrum 1 weight 0.10000E+01 volume 0.24363E-02 ppm1 0.826 ppm2 1.659 CV 1 OR { 748} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 631 and name HG2%) OR { 748} (( segid "HID " and resid 628 and name HG )) ( segid "HID " and resid 631 and name HG2%) OR { 748} (( segid "HID " and resid 697 and name HB1 )) ( segid "HID " and resid 631 and name HG2%) OR { 748} ( segid "HID " and resid 629 and name HB% ) ( segid "HID " and resid 631 and name HG2%) ASSI { 749} (( segid "HID " and resid 632 and name HG2 )) ( segid "HID " and resid 631 and name HG2%) 3.100 1.200 1.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 0.826 ppm2 1.743 CV 1 OR { 749} (( segid "HID " and resid 700 and name HB1 )) ( segid "HID " and resid 631 and name HG2%) ASSI { 753} ( segid "HID " and resid 626 and name HG2%) ( segid "HID " and resid 665 and name HG2%) 2.600 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.41504E-02 ppm1 0.750 ppm2 1.304 CV 1 OR { 753} (( segid "HID " and resid 610 and name HG11)) ( segid "HID " and resid 610 and name HG2%) ASSI { 759} (( segid "HID " and resid 686 and name HG2 )) ( segid "HID " and resid 682 and name HG2%) 3.100 1.200 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.24767E-02 ppm1 0.915 ppm2 1.458 CV 1 OR { 759} ( segid "HID " and resid 678 and name HB% ) ( segid "HID " and resid 682 and name HG2%) OR { 759} ( segid "HID " and resid 679 and name HB% ) ( segid "HID " and resid 682 and name HG2%) OR { 759} (( segid "HID " and resid 670 and name HB2 )) ( segid "HID " and resid 682 and name HG2%) ASSI { 760} (( segid "HID " and resid 686 and name HG1 )) ( segid "HID " and resid 682 and name HG2%) 3.200 1.300 1.300 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 0.917 ppm2 1.640 CV 1 OR { 760} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 682 and name HG2%) OR { 760} (( segid "HID " and resid 667 and name HG1 )) ( segid "HID " and resid 682 and name HG2%) ASSI { 766} (( segid "HID " and resid 654 and name HG )) ( segid "HID " and resid 637 and name HG2%) 3.400 1.400 1.400 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10089E-02 ppm1 0.978 ppm2 1.829 CV 1 OR { 766} (( segid "HID " and resid 641 and name HB1 )) ( segid "HID " and resid 637 and name HG2%) ASSI { 767} (( segid "HID " and resid 640 and name HD2 )) ( segid "HID " and resid 637 and name HG2%) 3.700 1.700 1.700 peak 767 spectrum 1 weight 0.10000E+01 volume 0.71200E-03 ppm1 0.987 ppm2 1.703 CV 1 OR { 767} (( segid "HID " and resid 654 and name HB1 )) ( segid "HID " and resid 637 and name HG2%) OR { 767} (( segid "HID " and resid 640 and name HD1 )) ( segid "HID " and resid 637 and name HG2%) ASSI { 768} (( segid "HID " and resid 637 and name HG12)) ( segid "HID " and resid 637 and name HG2%) 2.600 0.800 0.800 peak 768 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 0.979 ppm2 1.355 CV 1 OR { 768} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 637 and name HG2%) ASSI { 774} ( segid "HID " and resid 620 and name HD2%) ( segid "HID " and resid 623 and name HG1%) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.51627E-02 ppm1 0.508 ppm2 0.856 CV 1 OR { 774} ( segid "HID " and resid 622 and name HG1%) ( segid "HID " and resid 623 and name HG1%) ASSI { 783} ( segid "HID " and resid 658 and name HD1%) ( segid "HID " and resid 641 and name HD2%) 2.500 2.500 3.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.68498E-02 ppm1 0.462 ppm2 0.710 CV 1 OR { 783} ( segid "HID " and resid 685 and name HD2%) ( segid "HID " and resid 641 and name HD2%) ASSI { 786} ( segid "HID " and resid 685 and name HD1%) ( segid "HID " and resid 696 and name HG2%) 2.300 0.700 0.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.88407E-02 ppm1 0.991 ppm2 0.817 CV 1 OR { 786} ( segid "HID " and resid 670 and name HD2%) ( segid "HID " and resid 696 and name HG2%) OR { 786} ( segid "HID " and resid 631 and name HG2%) ( segid "HID " and resid 628 and name HD1%) OR { 786} ( segid "SID " and resid 223 and name HD2%) ( segid "HID " and resid 696 and name HG2%) ASSI { 791} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 696 and name HG1%) 2.900 1.000 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 1.051 ppm2 1.245 CV 1 OR { 791} (( segid "HID " and resid 685 and name HB2 )) ( segid "HID " and resid 696 and name HG1%) ASSI { 796} ( segid "HID " and resid 696 and name HG1%) ( segid "HID " and resid 685 and name HD2%) 2.300 0.700 0.700 peak 796 spectrum 1 weight 0.10000E+01 volume 0.11034E-01 ppm1 0.732 ppm2 1.042 CV 1 OR { 796} ( segid "HID " and resid 693 and name HG1%) ( segid "HID " and resid 685 and name HD2%) ASSI { 802} ( segid "HID " and resid 673 and name HD1%) ( segid "HID " and resid 670 and name HD1%) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.72209E-02 ppm1 0.978 ppm2 0.700 CV 1 OR { 802} ( segid "HID " and resid 685 and name HD2%) ( segid "HID " and resid 670 and name HD1%) OR { 802} ( segid "HID " and resid 658 and name HD2%) ( segid "HID " and resid 670 and name HD1%) ASSI { 825} ( segid "HID " and resid 618 and name HD% ) ( segid "HID " and resid 622 and name HG1%) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.32596E-03 ppm1 0.871 ppm2 -0.777 CV 1 OR { 825} ( segid "HID " and resid 714 and name HD% ) ( segid "HID " and resid 717 and name HG2%) ASSI { 832} ( segid "SID " and resid 209 and name HD% ) ( segid "HID " and resid 620 and name HD2%) 3.800 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.51627E-03 ppm1 0.855 ppm2 -0.896 CV 1 OR { 832} ( segid "HID " and resid 726 and name HD% ) ( segid "HID " and resid 727 and name HD2%) ASSI { 840} ( segid "SID " and resid 209 and name HD% ) ( segid "HID " and resid 624 and name HD2%) 3.600 1.600 1.600 peak 840 spectrum 1 weight 0.10000E+01 volume 0.68162E-03 ppm1 0.923 ppm2 -0.890 CV 1 OR { 840} ( segid "SID " and resid 209 and name HD% ) ( segid "HID " and resid 620 and name HD1%) ASSI { 845} ( segid "HID " and resid 674 and name HD% ) ( segid "HID " and resid 673 and name HD1%) 3.800 1.800 1.800 peak 845 spectrum 1 weight 0.10000E+01 volume 0.54326E-03 ppm1 0.675 ppm2 -0.884 CV 1 OR { 845} (( segid "HID " and resid 707 and name HH2 )) ( segid "HID " and resid 673 and name HD1%) ASSI { 851} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 649 and name HA )) 3.400 1.400 1.400 peak 851 spectrum 1 weight 0.10000E+01 volume 0.11810E-02 ppm1 3.789 ppm2 0.669 CV 1 OR { 851} (( segid "HID " and resid 631 and name HG12)) (( segid "HID " and resid 704 and name HA )) OR { 851} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 649 and name HA )) ASSI { 854} (( segid "HID " and resid 695 and name HB )) ( segid "HID " and resid 692 and name HB% ) 4.000 2.000 2.000 peak 854 spectrum 1 weight 0.10000E+01 volume 0.50952E-03 ppm1 1.260 ppm2 2.001 CV 1 OR { 854} (( segid "HID " and resid 696 and name HB )) ( segid "HID " and resid 692 and name HB% ) OR { 854} (( segid "HID " and resid 694 and name HG2 )) ( segid "HID " and resid 692 and name HB% ) ASSI { 855} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 692 and name HB% ) 3.900 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.80308E-03 ppm1 1.255 ppm2 2.054 CV 1 OR { 855} (( segid "HID " and resid 695 and name HB )) ( segid "HID " and resid 692 and name HB% ) ASSI { 856} (( segid "HID " and resid 691 and name HB )) ( segid "HID " and resid 692 and name HB% ) 3.400 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 1.260 ppm2 1.826 CV 1 OR { 856} (( segid "SID " and resid 223 and name HG )) ( segid "HID " and resid 692 and name HB% ) ASSI { 863} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 640 and name HG1 )) 2.200 0.600 0.600 peak 863 spectrum 1 weight 0.10000E+01 volume 0.85033E-02 ppm1 1.381 ppm2 1.887 CV 1 OR { 863} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 701 and name HG2 )) OR { 863} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HG2 )) OR { 863} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 701 and name HG1 )) OR { 863} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HG2 )) OR { 863} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HG1 )) OR { 863} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 640 and name HG1 )) ASSI { 864} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 639 and name HG2 )) 2.100 0.600 0.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.98866E-02 ppm1 1.442 ppm2 1.899 CV 1 OR { 864} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 716 and name HG1 )) OR { 864} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HG1 )) OR { 864} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 640 and name HG1 )) OR { 864} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 639 and name HG2 )) ASSI { 865} (( segid "HID " and resid 728 and name HD1 )) (( segid "HID " and resid 728 and name HG2 )) 1.600 0.300 0.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.53989E-01 ppm1 1.439 ppm2 1.680 CV 1 OR { 865} (( segid "HID " and resid 728 and name HD2 )) (( segid "HID " and resid 728 and name HG1 )) OR { 865} (( segid "HID " and resid 640 and name HD2 )) (( segid "HID " and resid 640 and name HG1 )) OR { 865} (( segid "HID " and resid 728 and name HD1 )) (( segid "HID " and resid 728 and name HG1 )) OR { 865} (( segid "HID " and resid 728 and name HD2 )) (( segid "HID " and resid 728 and name HG2 )) ASSI { 867} (( segid "HID " and resid 708 and name HB1 )) ( segid "HID " and resid 624 and name HD1%) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.24531E-02 ppm1 1.302 ppm2 2.197 CV 1 OR { 867} (( segid "HID " and resid 704 and name HG1 )) ( segid "HID " and resid 624 and name HD1%) OR { 867} (( segid "HID " and resid 704 and name HG2 )) ( segid "HID " and resid 624 and name HD1%) OR { 867} (( segid "HID " and resid 625 and name HB2 )) ( segid "HID " and resid 624 and name HD1%) ASSI { 868} (( segid "HID " and resid 624 and name HB1 )) ( segid "HID " and resid 624 and name HD1%) 2.800 1.000 1.000 peak 868 spectrum 1 weight 0.10000E+01 volume 0.22101E-02 ppm1 1.302 ppm2 2.132 CV 1 OR { 868} (( segid "HID " and resid 711 and name HB2 )) ( segid "HID " and resid 624 and name HD1%) ASSI { 875} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 653 and name HG2 )) 2.300 2.300 3.700 peak 875 spectrum 1 weight 0.10000E+01 volume 0.60063E-02 ppm1 1.657 ppm2 1.412 CV 1 OR { 875} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 653 and name HG1 )) OR { 875} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 685 and name HG )) ASSI { 881} (( segid "HID " and resid 687 and name HB2 )) (( segid "HID " and resid 687 and name HG2 )) 2.100 0.500 0.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10325E-01 ppm1 1.443 ppm2 1.840 CV 1 OR { 881} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 687 and name HG2 )) OR { 881} (( segid "HID " and resid 673 and name HB )) (( segid "HID " and resid 673 and name HG11)) ASSI { 885} (( segid "HID " and resid 668 and name HG1 )) (( segid "HID " and resid 668 and name HG2 )) 1.500 0.300 0.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.47915E-01 ppm1 1.443 ppm2 1.578 CV 1 OR { 885} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 639 and name HG2 )) ASSI { 887} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 719 and name HG2 )) 1.800 0.400 0.400 peak 887 spectrum 1 weight 0.10000E+01 volume 0.28547E-01 ppm1 1.534 ppm2 1.800 CV 1 OR { 887} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 691 and name HG11)) OR { 887} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HG1 )) OR { 887} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HG2 )) ASSI { 894} (( segid "HID " and resid 667 and name HB1 )) (( segid "HID " and resid 665 and name HG11)) 2.000 2.000 4.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.12485E-01 ppm1 1.445 ppm2 1.895 CV 1 OR { 894} (( segid "HID " and resid 667 and name HB2 )) (( segid "HID " and resid 665 and name HG11)) OR { 894} (( segid "HID " and resid 628 and name HB2 )) (( segid "HID " and resid 665 and name HG11)) OR { 894} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 665 and name HG11)) OR { 894} (( segid "HID " and resid 628 and name HB1 )) (( segid "HID " and resid 665 and name HG11)) OR { 894} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 665 and name HG11)) ASSI { 897} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HG1 )) 1.900 0.400 0.400 peak 897 spectrum 1 weight 0.10000E+01 volume 0.23553E-01 ppm1 1.643 ppm2 1.893 CV 1 OR { 897} (( segid "HID " and resid 667 and name HB1 )) (( segid "HID " and resid 667 and name HG1 )) OR { 897} (( segid "HID " and resid 667 and name HB2 )) (( segid "HID " and resid 667 and name HG1 )) OR { 897} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HG2 )) ASSI { 899} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 695 and name HG11)) 2.100 0.500 0.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.97857E-02 ppm1 1.747 ppm2 2.013 CV 1 OR { 899} (( segid "HID " and resid 632 and name HB1 )) (( segid "HID " and resid 632 and name HG2 )) ASSI { 900} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 637 and name HG11)) 2.400 0.700 0.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.10494E-01 ppm1 1.893 ppm2 1.651 CV 1 OR { 900} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 632 and name HG1 )) OR { 900} (( segid "HID " and resid 628 and name HG )) (( segid "HID " and resid 632 and name HG1 )) ASSI { 902} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 637 and name HG11)) 2.500 2.500 3.500 peak 902 spectrum 1 weight 0.10000E+01 volume 0.50277E-02 ppm1 1.893 ppm2 1.440 CV 1 OR { 902} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 634 and name HG )) ASSI { 906} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 671 and name HB1 )) 3.700 1.700 1.700 peak 906 spectrum 1 weight 0.10000E+01 volume 0.96506E-03 ppm1 2.230 ppm2 1.442 CV 1 OR { 906} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 649 and name HB1 )) ASSI { 911} (( segid "HID " and resid 649 and name HB2 )) (( segid "HID " and resid 649 and name HB1 )) 1.700 0.300 0.500 peak 911 spectrum 1 weight 0.10000E+01 volume 0.21326E-01 ppm1 2.231 ppm2 2.082 CV 1 OR { 911} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HB1 )) ASSI { 914} (( segid "HID " and resid 694 and name HG1 )) (( segid "HID " and resid 694 and name HG2 )) 1.700 0.300 0.500 peak 914 spectrum 1 weight 0.10000E+01 volume 0.24936E-01 ppm1 2.008 ppm2 2.163 CV 1 OR { 914} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 708 and name HG1 )) ASSI { 920} (( segid "HID " and resid 728 and name HE1 )) (( segid "HID " and resid 728 and name HD2 )) 1.900 0.400 0.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.24801E-01 ppm1 1.685 ppm2 2.959 CV 1 OR { 920} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HD2 )) OR { 920} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 716 and name HD2 )) OR { 920} (( segid "HID " and resid 651 and name HE1 )) (( segid "HID " and resid 651 and name HD1 )) OR { 920} (( segid "HID " and resid 651 and name HE2 )) (( segid "HID " and resid 651 and name HD2 )) OR { 920} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HD1 )) OR { 920} (( segid "HID " and resid 687 and name HE2 )) (( segid "HID " and resid 687 and name HD1 )) OR { 920} (( segid "HID " and resid 728 and name HE2 )) (( segid "HID " and resid 728 and name HD1 )) OR { 920} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HD1 )) OR { 920} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 716 and name HD1 )) OR { 920} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HD2 )) OR { 920} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HD1 )) OR { 920} (( segid "HID " and resid 728 and name HE1 )) (( segid "HID " and resid 728 and name HD1 )) OR { 920} (( segid "HID " and resid 728 and name HE2 )) (( segid "HID " and resid 728 and name HD2 )) OR { 920} (( segid "HID " and resid 687 and name HE2 )) (( segid "HID " and resid 687 and name HD2 )) OR { 920} (( segid "HID " and resid 651 and name HE2 )) (( segid "HID " and resid 651 and name HD1 )) ASSI { 925} (( segid "HID " and resid 728 and name HE1 )) (( segid "HID " and resid 728 and name HD2 )) 1.900 0.500 0.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.18660E-01 ppm1 1.722 ppm2 2.972 CV 1 OR { 925} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HD2 )) OR { 925} (( segid "HID " and resid 651 and name HE1 )) (( segid "HID " and resid 651 and name HD1 )) OR { 925} (( segid "HID " and resid 651 and name HE2 )) (( segid "HID " and resid 651 and name HD2 )) OR { 925} (( segid "HID " and resid 728 and name HE2 )) (( segid "HID " and resid 728 and name HD1 )) OR { 925} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HD1 )) OR { 925} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HD1 )) OR { 925} (( segid "HID " and resid 728 and name HE1 )) (( segid "HID " and resid 728 and name HD1 )) OR { 925} (( segid "HID " and resid 728 and name HE2 )) (( segid "HID " and resid 728 and name HD2 )) OR { 925} (( segid "HID " and resid 651 and name HE2 )) (( segid "HID " and resid 651 and name HD1 )) ASSI { 929} (( segid "HID " and resid 647 and name HG1 )) (( segid "HID " and resid 647 and name HB1 )) 1.600 0.300 0.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.60399E-01 ppm1 2.097 ppm2 2.313 CV 1 OR { 929} (( segid "HID " and resid 705 and name HG2 )) (( segid "HID " and resid 705 and name HB1 )) OR { 929} (( segid "HID " and resid 647 and name HG2 )) (( segid "HID " and resid 647 and name HB1 )) OR { 929} (( segid "HID " and resid 705 and name HG2 )) (( segid "HID " and resid 705 and name HB2 )) ASSI { 930} (( segid "HID " and resid 721 and name HG1 )) (( segid "HID " and resid 721 and name HB2 )) 1.900 0.500 0.500 peak 930 spectrum 1 weight 0.10000E+01 volume 0.21022E-01 ppm1 1.964 ppm2 2.330 CV 1 OR { 930} (( segid "HID " and resid 647 and name HG1 )) (( segid "HID " and resid 647 and name HB2 )) OR { 930} (( segid "HID " and resid 647 and name HG2 )) (( segid "HID " and resid 647 and name HB2 )) ASSI { 935} (( segid "HID " and resid 635 and name HB1 )) (( segid "HID " and resid 635 and name HB2 )) 1.500 0.300 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.57700E-01 ppm1 1.918 ppm2 2.222 CV 1 OR { 935} (( segid "HID " and resid 608 and name HG2 )) (( segid "HID " and resid 608 and name HB2 )) OR { 935} (( segid "HID " and resid 608 and name HG1 )) (( segid "HID " and resid 608 and name HB1 )) OR { 935} (( segid "HID " and resid 614 and name HG2 )) (( segid "HID " and resid 614 and name HB2 )) OR { 935} (( segid "HID " and resid 614 and name HG1 )) (( segid "HID " and resid 614 and name HB2 )) OR { 935} (( segid "HID " and resid 608 and name HG2 )) (( segid "HID " and resid 608 and name HB1 )) OR { 935} (( segid "HID " and resid 608 and name HG1 )) (( segid "HID " and resid 608 and name HB2 )) ASSI { 940} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HD1 )) 1.500 0.300 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.87056E-01 ppm1 1.680 ppm2 1.445 CV 1 OR { 940} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HD2 )) OR { 940} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HD2 )) OR { 940} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HD1 )) OR { 940} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HD2 )) OR { 940} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HD1 )) OR { 940} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HD2 )) ASSI { 948} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 719 and name HB1 )) 2.000 0.500 0.500 peak 948 spectrum 1 weight 0.10000E+01 volume 0.17681E-01 ppm1 1.804 ppm2 1.539 CV 1 OR { 948} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HB1 )) OR { 948} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HB1 )) OR { 948} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 719 and name HB2 )) ASSI { 951} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 612 and name HB1 )) 1.600 0.300 0.600 peak 951 spectrum 1 weight 0.10000E+01 volume 0.36105E-01 ppm1 1.801 ppm2 1.688 CV 1 OR { 951} (( segid "HID " and resid 719 and name HG1 )) (( segid "HID " and resid 719 and name HB2 )) ASSI { 952} (( segid "HID " and resid 608 and name HG1 )) (( segid "HID " and resid 608 and name HB1 )) 1.700 0.400 0.500 peak 952 spectrum 1 weight 0.10000E+01 volume 0.42854E-01 ppm1 1.959 ppm2 2.186 CV 1 OR { 952} (( segid "HID " and resid 706 and name HG2 )) (( segid "HID " and resid 706 and name HB2 )) OR { 952} (( segid "HID " and resid 608 and name HG2 )) (( segid "HID " and resid 608 and name HB1 )) ASSI { 966} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HB1 )) 2.200 0.600 0.600 peak 966 spectrum 1 weight 0.10000E+01 volume 0.87056E-02 ppm1 1.881 ppm2 1.457 CV 1 OR { 966} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HB1 )) OR { 966} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HB2 )) OR { 966} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HB1 )) ASSI { 967} (( segid "HID " and resid 701 and name HG2 )) (( segid "HID " and resid 701 and name HB1 )) 2.200 0.600 0.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.80644E-02 ppm1 1.882 ppm2 1.361 CV 1 OR { 967} (( segid "HID " and resid 701 and name HG2 )) (( segid "HID " and resid 701 and name HB2 )) OR { 967} (( segid "HID " and resid 701 and name HG1 )) (( segid "HID " and resid 701 and name HB1 )) OR { 967} (( segid "HID " and resid 716 and name HG2 )) (( segid "HID " and resid 716 and name HB2 )) OR { 967} (( segid "HID " and resid 701 and name HG1 )) (( segid "HID " and resid 701 and name HB2 )) ASSI { 981} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HG2 )) 2.100 0.500 0.500 peak 981 spectrum 1 weight 0.10000E+01 volume 0.94483E-02 ppm1 2.438 ppm2 2.095 CV 1 OR { 981} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 711 and name HG1 )) OR { 981} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HG1 )) ASSI { 982} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 711 and name HG1 )) 1.800 0.400 0.400 peak 982 spectrum 1 weight 0.10000E+01 volume 0.16973E-01 ppm1 2.436 ppm2 2.255 CV 1 OR { 982} (( segid "HID " and resid 671 and name HB1 )) (( segid "HID " and resid 671 and name HG2 )) ASSI { 986} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 711 and name HG2 )) 2.400 0.700 0.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.66811E-02 ppm1 2.249 ppm2 3.932 CV 1 OR { 986} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HG2 )) OR { 986} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HG1 )) ASSI { 988} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 711 and name HG2 )) 3.500 1.500 1.500 peak 988 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 2.263 ppm2 4.140 CV 1 OR { 988} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 711 and name HG2 )) OR { 988} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 711 and name HG2 )) ASSI { 990} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 671 and name HG2 )) 3.200 1.300 1.300 peak 990 spectrum 1 weight 0.10000E+01 volume 0.97179E-03 ppm1 2.442 ppm2 1.619 CV 1 OR { 990} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 671 and name HG1 )) OR { 990} (( segid "HID " and resid 620 and name HG )) (( segid "HID " and resid 711 and name HG1 )) OR { 990} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 711 and name HG1 )) ASSI { 993} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 651 and name HB1 )) 3.400 1.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 2.012 ppm2 2.247 CV 1 OR { 993} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 651 and name HB1 )) ASSI { 995} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 704 and name HG1 )) 2.900 1.100 1.100 peak 995 spectrum 1 weight 0.10000E+01 volume 0.20145E-02 ppm1 2.204 ppm2 1.303 CV 1 OR { 995} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 704 and name HG2 )) OR { 995} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 704 and name HG1 )) OR { 995} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 704 and name HG2 )) ASSI { 999} (( segid "HID " and resid 625 and name HB2 )) (( segid "HID " and resid 625 and name HG2 )) 1.800 0.400 0.400 peak 999 spectrum 1 weight 0.10000E+01 volume 0.28850E-01 ppm1 2.358 ppm2 2.194 CV 1 OR { 999} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 709 and name HG1 )) OR { 999} (( segid "HID " and resid 625 and name HB1 )) (( segid "HID " and resid 625 and name HG2 )) OR { 999} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 709 and name HG2 )) OR { 999} (( segid "HID " and resid 709 and name HB1 )) (( segid "HID " and resid 709 and name HG1 )) ASSI { 1004} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 614 and name HG1 )) 3.700 1.700 1.700 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.62086E-03 ppm1 2.235 ppm2 2.911 CV 1 OR { 1004} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 614 and name HG1 )) OR { 1004} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 614 and name HG2 )) OR { 1004} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 616 and name HG2 )) OR { 1004} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 614 and name HG2 )) OR { 1004} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 616 and name HG2 )) OR { 1004} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 616 and name HG1 )) OR { 1004} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 616 and name HG1 )) OR { 1004} (( segid "HID " and resid 617 and name HD2 )) (( segid "HID " and resid 616 and name HG2 )) OR { 1004} (( segid "HID " and resid 617 and name HD1 )) (( segid "HID " and resid 616 and name HG2 )) ASSI { 1008} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 647 and name HG2 )) 3.300 1.400 1.400 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 2.336 ppm2 1.487 CV 1 OR { 1008} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 720 and name HG1 )) OR { 1008} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 647 and name HG1 )) ASSI { 1009} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 647 and name HG2 )) 2.900 2.900 3.100 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 2.338 ppm2 1.571 CV 1 OR { 1009} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 647 and name HG1 )) OR { 1009} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 720 and name HG1 )) OR { 1009} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 720 and name HG1 )) ASSI { 1011} (( segid "HID " and resid 716 and name HG2 )) (( segid "HID " and resid 720 and name HG2 )) 3.300 1.400 1.400 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.11270E-02 ppm1 2.244 ppm2 1.349 CV 1 OR { 1011} ( segid "HID " and resid 607 and name HB% ) (( segid "HID " and resid 608 and name HG1 )) OR { 1011} ( segid "HID " and resid 607 and name HB% ) (( segid "HID " and resid 608 and name HG2 )) ASSI { 1022} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 695 and name HB )) 4.700 2.700 1.300 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.32326E-03 ppm1 2.031 ppm2 1.249 CV 1 OR { 1022} ( segid "SID " and resid 222 and name HG2%) (( segid "HID " and resid 695 and name HB )) ASSI { 1030} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 688 and name HB2 )) 3.600 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.47578E-03 ppm1 2.543 ppm2 1.255 CV 1 OR { 1030} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 674 and name HB2 )) ASSI { 1031} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 674 and name HB2 )) 3.200 1.300 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.84697E-03 ppm1 2.551 ppm2 1.454 CV 1 OR { 1031} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 674 and name HB2 )) ASSI { 1032} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 688 and name HB2 )) 3.300 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.12350E-02 ppm1 2.541 ppm2 1.818 CV 1 OR { 1032} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 688 and name HB2 )) ASSI { 1043} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 670 and name HB1 )) 2.000 0.500 0.500 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.67147E-02 ppm1 2.085 ppm2 1.429 CV 1 OR { 1043} (( segid "HID " and resid 634 and name HB2 )) (( segid "HID " and resid 634 and name HB1 )) ASSI { 1054} (( segid "HID " and resid 640 and name HG2 )) (( segid "HID " and resid 640 and name HE2 )) 3.100 1.200 1.200 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 2.751 ppm2 1.236 CV 1 OR { 1054} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 703 and name HE2 )) ASSI { 1055} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HE2 )) 3.400 1.400 1.400 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.85033E-03 ppm1 2.752 ppm2 1.406 CV 1 OR { 1055} (( segid "HID " and resid 703 and name HG2 )) (( segid "HID " and resid 703 and name HE2 )) OR { 1055} (( segid "HID " and resid 703 and name HG1 )) (( segid "HID " and resid 703 and name HE2 )) ASSI { 1060} (( segid "HID " and resid 703 and name HG2 )) ( segid "HID " and resid 702 and name HE% ) 3.300 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 2.063 ppm2 1.401 CV 1 OR { 1060} (( segid "HID " and resid 703 and name HG1 )) ( segid "HID " and resid 702 and name HE% ) OR { 1060} (( segid "SID " and resid 211 and name HB2 )) ( segid "HID " and resid 702 and name HE% ) ASSI { 1061} (( segid "SID " and resid 211 and name HB1 )) ( segid "HID " and resid 702 and name HE% ) 3.500 1.500 1.500 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.90430E-03 ppm1 2.062 ppm2 1.714 CV 1 OR { 1061} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 702 and name HE% ) ASSI { 1065} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 678 and name HB% ) 2.900 1.000 1.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.31718E-02 ppm1 1.447 ppm2 2.088 CV 1 OR { 1065} (( segid "HID " and resid 671 and name HB2 )) ( segid "HID " and resid 678 and name HB% ) OR { 1065} (( segid "HID " and resid 649 and name HB2 )) ( segid "HID " and resid 646 and name HB% ) OR { 1065} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 678 and name HB% ) OR { 1065} (( segid "HID " and resid 677 and name HB1 )) ( segid "HID " and resid 679 and name HB% ) ASSI { 1068} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 636 and name HB% ) 2.700 0.900 0.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.43191E-02 ppm1 1.623 ppm2 1.910 CV 1 OR { 1068} (( segid "HID " and resid 628 and name HB2 )) ( segid "HID " and resid 629 and name HB% ) OR { 1068} (( segid "HID " and resid 635 and name HB2 )) ( segid "HID " and resid 636 and name HB% ) OR { 1068} (( segid "HID " and resid 632 and name HB2 )) ( segid "HID " and resid 629 and name HB% ) OR { 1068} (( segid "HID " and resid 628 and name HB1 )) ( segid "HID " and resid 629 and name HB% ) OR { 1068} (( segid "HID " and resid 632 and name HB2 )) ( segid "HID " and resid 636 and name HB% ) ASSI { 1069} (( segid "HID " and resid 628 and name HB2 )) ( segid "HID " and resid 629 and name HB% ) 3.200 1.300 1.300 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.16264E-02 ppm1 1.688 ppm2 1.881 CV 1 OR { 1069} (( segid "SID " and resid 210 and name HG )) ( segid "HID " and resid 675 and name HB% ) OR { 1069} (( segid "HID " and resid 628 and name HB1 )) ( segid "HID " and resid 629 and name HB% ) OR { 1069} (( segid "SID " and resid 210 and name HB1 )) ( segid "HID " and resid 675 and name HB% ) ASSI { 1070} (( segid "HID " and resid 676 and name HB2 )) ( segid "HID " and resid 675 and name HB% ) 3.900 1.900 1.900 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.23991E-03 ppm1 1.685 ppm2 2.874 CV 1 OR { 1070} (( segid "HID " and resid 676 and name HB1 )) ( segid "HID " and resid 675 and name HB% ) OR { 1070} (( segid "HID " and resid 674 and name HB1 )) ( segid "HID " and resid 675 and name HB% ) ASSI { 1072} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 669 and name HB% ) 3.500 1.500 1.500 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.691 ppm2 2.083 CV 1 OR { 1072} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 669 and name HB% ) OR { 1072} (( segid "HID " and resid 671 and name HB2 )) ( segid "HID " and resid 669 and name HB% ) ASSI { 1078} ( segid "HID " and resid 696 and name HG1%) ( segid "HID " and resid 692 and name HB% ) 3.200 1.300 1.300 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 1.256 ppm2 1.049 CV 1 OR { 1078} ( segid "HID " and resid 693 and name HG1%) ( segid "HID " and resid 692 and name HB% ) ASSI { 1079} ( segid "HID " and resid 631 and name HD1%) ( segid "HID " and resid 630 and name HG2%) 2.500 0.800 0.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.47578E-02 ppm1 1.189 ppm2 0.739 CV 1 OR { 1079} ( segid "HID " and resid 658 and name HD1%) ( segid "HID " and resid 657 and name HG2%) OR { 1079} ( segid "HID " and resid 658 and name HD2%) ( segid "HID " and resid 630 and name HG2%) OR { 1079} ( segid "HID " and resid 658 and name HD1%) ( segid "HID " and resid 630 and name HG2%) ASSI { 1080} ( segid "HID " and resid 700 and name HD2%) ( segid "HID " and resid 630 and name HG2%) 2.200 0.600 0.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.10730E-01 ppm1 1.192 ppm2 0.830 CV 1 OR { 1080} ( segid "HID " and resid 634 and name HD2%) ( segid "HID " and resid 630 and name HG2%) OR { 1080} ( segid "HID " and resid 634 and name HD1%) ( segid "HID " and resid 630 and name HG2%) ASSI { 1082} ( segid "HID " and resid 622 and name HG1%) ( segid "HID " and resid 626 and name HG2%) 2.700 2.700 3.300 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.39817E-02 ppm1 1.307 ppm2 0.863 CV 1 OR { 1082} ( segid "HID " and resid 664 and name HG2%) ( segid "HID " and resid 626 and name HG2%) ASSI { 1083} ( segid "HID " and resid 633 and name HG2%) ( segid "HID " and resid 633 and name HG1%) 2.200 0.600 0.600 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.89758E-02 ppm1 1.119 ppm2 0.848 CV 1 OR { 1083} ( segid "HID " and resid 634 and name HD2%) ( segid "HID " and resid 633 and name HG1%) ASSI { 1091} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 653 and name HG1 )) 2.400 2.400 3.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.99202E-02 ppm1 1.666 ppm2 0.973 CV 1 OR { 1091} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 653 and name HG2 )) OR { 1091} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 719 and name HG1 )) ASSI { 1096} (( segid "HID " and resid 685 and name HB2 )) (( segid "HID " and resid 685 and name HG )) 2.400 0.700 0.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 1.618 ppm2 1.248 CV 1 OR { 1096} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 685 and name HG )) ASSI { 1106} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 638 and name HB1 )) 3.100 1.200 1.200 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.19504E-02 ppm1 2.183 ppm2 0.885 CV 1 OR { 1106} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 638 and name HB1 )) OR { 1106} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HG1 )) OR { 1106} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 694 and name HG1 )) ASSI { 1110} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 695 and name HG12)) 2.000 0.500 0.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.12215E-01 ppm1 1.345 ppm2 0.897 CV 1 OR { 1110} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 637 and name HG12)) OR { 1110} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 695 and name HG12)) ASSI { 1111} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 695 and name HG11)) 2.000 0.500 0.500 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.11607E-01 ppm1 1.748 ppm2 0.894 CV 1 OR { 1111} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 624 and name HG )) ASSI { 1112} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 638 and name HB2 )) 2.600 0.900 0.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.31179E-02 ppm1 2.004 ppm2 0.876 CV 1 OR { 1112} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 638 and name HB2 )) OR { 1112} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 638 and name HB2 )) OR { 1112} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 694 and name HG2 )) OR { 1112} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HG2 )) ASSI { 1114} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 634 and name HG )) 3.100 1.200 1.200 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 1.889 ppm2 0.739 CV 1 OR { 1114} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 634 and name HG )) OR { 1114} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 634 and name HG )) OR { 1114} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 632 and name HG1 )) ASSI { 1117} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 640 and name HD2 )) 2.800 1.000 1.000 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.27770E-02 ppm1 1.720 ppm2 0.909 CV 1 OR { 1117} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 698 and name HD1 )) OR { 1117} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 698 and name HD2 )) OR { 1117} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 640 and name HD1 )) OR { 1117} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 698 and name HD2 )) ASSI { 1118} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 635 and name HB2 )) 2.900 1.000 1.000 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 1.906 ppm2 0.848 CV 1 OR { 1118} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 667 and name HB2 )) OR { 1118} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 667 and name HB1 )) OR { 1118} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 632 and name HB2 )) OR { 1118} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 667 and name HB2 )) OR { 1118} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 632 and name HB2 )) ASSI { 1119} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 720 and name HB1 )) 2.900 1.100 1.100 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 2.028 ppm2 0.872 CV 1 OR { 1119} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 720 and name HB2 )) OR { 1119} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 619 and name HB1 )) OR { 1119} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 619 and name HB2 )) OR { 1119} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 616 and name HB1 )) OR { 1119} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 632 and name HB1 )) OR { 1119} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 619 and name HB1 )) ASSI { 1120} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 625 and name HB1 )) 3.800 1.900 1.900 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.56351E-03 ppm1 2.229 ppm2 0.869 CV 1 OR { 1120} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 635 and name HB1 )) OR { 1120} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 625 and name HB1 )) ASSI { 1121} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 651 and name HD1 )) 3.400 3.400 2.600 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.98530E-03 ppm1 1.696 ppm2 0.672 CV 1 OR { 1121} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 651 and name HD2 )) OR { 1121} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 640 and name HD1 )) OR { 1121} ( segid "HID " and resid 673 and name HD1%) (( segid "HID " and resid 698 and name HD1 )) OR { 1121} ( segid "HID " and resid 673 and name HD1%) (( segid "HID " and resid 698 and name HD2 )) ASSI { 1122} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 720 and name HB1 )) 3.600 1.600 1.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.70522E-03 ppm1 2.032 ppm2 0.981 CV 1 OR { 1122} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HB1 )) OR { 1122} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 720 and name HB2 )) ASSI { 1123} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HB2 )) 3.900 1.900 1.900 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.55001E-03 ppm1 1.908 ppm2 0.988 CV 1 OR { 1123} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 667 and name HB1 )) OR { 1123} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 667 and name HB2 )) OR { 1123} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 632 and name HB2 )) ASSI { 1124} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 623 and name HB )) 2.900 1.000 1.000 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.30436E-02 ppm1 1.908 ppm2 0.859 CV 1 OR { 1124} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 694 and name HB2 )) OR { 1124} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 623 and name HB )) OR { 1124} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HB2 )) OR { 1124} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HB2 )) OR { 1124} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 623 and name HB )) OR { 1124} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HB1 )) ASSI { 1129} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 717 and name HB )) 1.800 0.400 0.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.27905E-01 ppm1 2.095 ppm2 0.864 CV 1 OR { 1129} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 633 and name HB )) OR { 1129} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 622 and name HB )) OR { 1129} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 622 and name HB )) OR { 1129} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 664 and name HB )) ASSI { 1132} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 664 and name HB )) 2.100 0.500 0.500 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.12721E-01 ppm1 2.067 ppm2 0.987 CV 1 OR { 1132} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 717 and name HB )) ASSI { 1135} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HB1 )) 2.100 0.600 0.600 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.10393E-01 ppm1 1.914 ppm2 1.438 CV 1 OR { 1135} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 639 and name HB2 )) OR { 1135} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HB2 )) OR { 1135} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 639 and name HB1 )) ASSI { 1138} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 696 and name HB )) 2.800 1.000 1.000 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 1.970 ppm2 0.838 CV 1 OR { 1138} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 696 and name HB )) OR { 1138} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 696 and name HB )) OR { 1138} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 696 and name HB )) OR { 1138} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 696 and name HB )) OR { 1138} ( segid "HID " and resid 665 and name HD1%) (( segid "HID " and resid 668 and name HB1 )) ASSI { 1140} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HG2 )) 2.800 1.000 1.000 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.31685E-02 ppm1 2.254 ppm2 0.915 CV 1 OR { 1140} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 711 and name HG2 )) OR { 1140} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 638 and name HG1 )) ASSI { 1142} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HG1 )) 3.200 1.300 1.300 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 2.434 ppm2 0.919 CV 1 OR { 1142} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 711 and name HG1 )) ASSI { 1153} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 619 and name HG1 )) 3.600 1.600 1.600 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.97179E-03 ppm1 2.192 ppm2 0.889 CV 1 OR { 1153} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 619 and name HG1 )) OR { 1153} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 720 and name HG2 )) OR { 1153} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 619 and name HG2 )) ASSI { 1154} ( segid "SID " and resid 207 and name HD1%) (( segid "HID " and resid 616 and name HG1 )) 3.000 1.200 1.200 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 2.238 ppm2 0.731 CV 1 OR { 1154} ( segid "SID " and resid 207 and name HD1%) (( segid "HID " and resid 616 and name HG2 )) OR { 1154} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 608 and name HG1 )) OR { 1154} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 608 and name HG2 )) ASSI { 1159} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 720 and name HG1 )) 4.000 2.000 2.000 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.45553E-03 ppm1 2.403 ppm2 0.877 CV 1 OR { 1159} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 625 and name HG1 )) OR { 1159} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 625 and name HG1 )) ASSI { 1160} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 720 and name HG1 )) 3.700 1.700 1.700 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 2.332 ppm2 0.878 CV 1 OR { 1160} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 625 and name HG2 )) ASSI { 1165} ( segid "HID " and resid 679 and name HB% ) (( segid "HID " and resid 682 and name HB )) 4.100 2.100 1.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.46228E-03 ppm1 1.847 ppm2 1.458 CV 1 OR { 1165} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 682 and name HB )) ASSI { 1167} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 637 and name HB )) 2.900 1.000 1.000 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.25004E-02 ppm1 2.126 ppm2 0.852 CV 1 OR { 1167} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 637 and name HB )) OR { 1167} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 637 and name HB )) OR { 1167} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 637 and name HB )) ASSI { 1173} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 635 and name HG1 )) 2.800 0.900 0.900 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.20448E-02 ppm1 2.596 ppm2 0.829 CV 1 OR { 1173} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 635 and name HG1 )) ASSI { 1180} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HB1 )) 2.500 0.800 0.800 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.49940E-02 ppm1 2.074 ppm2 0.846 CV 1 OR { 1180} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 670 and name HB1 )) OR { 1180} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HB1 )) ASSI { 1182} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 628 and name HB2 )) 3.400 1.400 1.400 peak 1182 spectrum 1 weight 0.10000E+01 volume 0.72887E-03 ppm1 1.902 ppm2 0.831 CV 1 OR { 1182} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 628 and name HB1 )) OR { 1182} ( segid "HID " and resid 665 and name HD1%) (( segid "HID " and resid 628 and name HB1 )) OR { 1182} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 628 and name HB1 )) OR { 1182} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 628 and name HB2 )) OR { 1182} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 628 and name HB2 )) ASSI { 1185} ( segid "HID " and resid 700 and name HD2%) (( segid "HID " and resid 700 and name HB2 )) 3.000 1.100 1.100 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.18559E-02 ppm1 1.700 ppm2 0.850 CV 1 OR { 1185} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HB1 )) ASSI { 1186} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HB1 )) 3.000 1.100 1.100 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.13666E-02 ppm1 1.754 ppm2 0.833 CV 1 OR { 1186} ( segid "HID " and resid 700 and name HD2%) (( segid "HID " and resid 700 and name HB1 )) ASSI { 1192} ( segid "HID " and resid 727 and name HD1%) (( segid "HID " and resid 727 and name HB2 )) 2.200 0.600 0.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.10157E-01 ppm1 1.572 ppm2 0.893 CV 1 OR { 1192} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 624 and name HB2 )) OR { 1192} ( segid "HID " and resid 727 and name HD2%) (( segid "HID " and resid 727 and name HB1 )) OR { 1192} ( segid "HID " and resid 727 and name HD1%) (( segid "HID " and resid 727 and name HB1 )) ASSI { 1193} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 697 and name HB2 )) 2.100 0.600 0.600 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.13092E-01 ppm1 1.671 ppm2 0.912 CV 1 OR { 1193} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 654 and name HB2 )) OR { 1193} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 654 and name HB2 )) OR { 1193} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 697 and name HB1 )) ASSI { 1195} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 624 and name HB1 )) 3.100 1.200 1.200 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.25105E-02 ppm1 2.101 ppm2 0.916 CV 1 OR { 1195} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 685 and name HB1 )) ASSI { 1206} ( segid "HID " and resid 637 and name HD1%) ( segid "HID " and resid 636 and name HB% ) 2.500 0.800 0.800 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 1.592 ppm2 0.918 CV 1 OR { 1206} ( segid "HID " and resid 620 and name HD1%) ( segid "HID " and resid 710 and name HB% ) OR { 1206} ( segid "HID " and resid 624 and name HD2%) ( segid "HID " and resid 710 and name HB% ) ASSI { 1207} ( segid "HID " and resid 665 and name HD1%) ( segid "HID " and resid 629 and name HB% ) 2.500 0.800 0.800 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.41841E-02 ppm1 1.625 ppm2 0.843 CV 1 OR { 1207} ( segid "HID " and resid 633 and name HG2%) ( segid "HID " and resid 636 and name HB% ) ASSI { 1209} ( segid "HID " and resid 633 and name HG1%) ( segid "HID " and resid 629 and name HB% ) 3.100 1.200 1.200 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.22776E-02 ppm1 1.626 ppm2 1.122 CV 1 OR { 1209} (( segid "HID " and resid 665 and name HG12)) ( segid "HID " and resid 629 and name HB% ) ASSI { 1210} (( segid "SID " and resid 207 and name HG )) ( segid "HID " and resid 710 and name HB% ) 2.500 0.800 0.800 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.59390E-02 ppm1 1.620 ppm2 1.326 CV 1 OR { 1210} ( segid "SID " and resid 205 and name HB% ) ( segid "HID " and resid 710 and name HB% ) OR { 1210} (( segid "HID " and resid 637 and name HG12)) ( segid "HID " and resid 636 and name HB% ) ASSI { 1214} ( segid "HID " and resid 700 and name HD1%) ( segid "HID " and resid 669 and name HB% ) 2.800 1.000 1.000 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.23384E-02 ppm1 1.689 ppm2 0.970 CV 1 OR { 1214} ( segid "HID " and resid 670 and name HD1%) ( segid "HID " and resid 669 and name HB% ) ASSI { 1215} ( segid "HID " and resid 700 and name HD2%) ( segid "HID " and resid 669 and name HB% ) 2.900 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.22709E-02 ppm1 1.687 ppm2 0.835 CV 1 OR { 1215} ( segid "HID " and resid 670 and name HD2%) ( segid "HID " and resid 669 and name HB% ) OR { 1215} ( segid "HID " and resid 634 and name HD2%) ( segid "HID " and resid 669 and name HB% ) OR { 1215} ( segid "HID " and resid 665 and name HD1%) ( segid "HID " and resid 669 and name HB% ) ASSI { 1216} ( segid "HID " and resid 665 and name HG2%) ( segid "HID " and resid 669 and name HB% ) 3.900 1.900 1.900 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.70185E-03 ppm1 1.683 ppm2 0.748 CV 1 OR { 1216} ( segid "HID " and resid 631 and name HD1%) ( segid "HID " and resid 669 and name HB% ) ASSI { 1222} (( segid "HID " and resid 707 and name HZ3 )) ( segid "HID " and resid 673 and name HG2%) 4.300 2.300 1.700 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.44204E-03 ppm1 1.214 ppm2 -1.291 CV 1 OR { 1222} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 673 and name HG2%) ASSI { 1230} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 709 and name HB2 )) 2.300 0.700 0.700 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.76934E-02 ppm1 2.194 ppm2 4.167 CV 1 OR { 1230} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 708 and name HB1 )) OR { 1230} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 709 and name HB1 )) ASSI { 1231} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 708 and name HB1 )) 2.600 0.800 0.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.45553E-02 ppm1 2.193 ppm2 4.028 CV 1 OR { 1231} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 709 and name HB1 )) OR { 1231} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 709 and name HB2 )) ASSI { 1232} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 638 and name HB1 )) 2.500 0.800 0.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 2.191 ppm2 3.926 CV 1 OR { 1232} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HB1 )) ASSI { 1238} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 671 and name HB1 )) 3.400 1.500 1.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 2.231 ppm2 4.067 CV 1 OR { 1238} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 638 and name HB1 )) ASSI { 1246} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HB2 )) 2.300 0.700 0.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.56013E-02 ppm1 2.165 ppm2 4.156 CV 1 OR { 1246} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 708 and name HB1 )) ASSI { 1247} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HB1 )) 2.700 0.900 0.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 2.232 ppm2 4.155 CV 1 OR { 1247} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 635 and name HB1 )) ASSI { 1258} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 715 and name HB1 )) 3.100 1.200 1.200 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.19807E-02 ppm1 2.885 ppm2 4.151 CV 1 OR { 1258} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 715 and name HB1 )) OR { 1258} (( segid "HID " and resid 724 and name HA )) (( segid "HID " and resid 725 and name HB2 )) OR { 1258} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 715 and name HB2 )) ASSI { 1261} (( segid "HID " and resid 618 and name HA )) (( segid "HID " and resid 618 and name HB2 )) 2.400 0.700 0.700 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.55001E-02 ppm1 3.022 ppm2 4.511 CV 1 OR { 1261} (( segid "HID " and resid 726 and name HA )) (( segid "HID " and resid 726 and name HB1 )) ASSI { 1267} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 714 and name HB1 )) 3.900 1.900 1.900 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.43191E-03 ppm1 3.077 ppm2 3.918 CV 1 OR { 1267} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 714 and name HB2 )) OR { 1267} (( segid "HID " and resid 713 and name HA1 )) (( segid "HID " and resid 714 and name HB1 )) OR { 1267} (( segid "HID " and resid 713 and name HA1 )) (( segid "HID " and resid 714 and name HB2 )) OR { 1267} (( segid "HID " and resid 713 and name HA2 )) (( segid "HID " and resid 714 and name HB2 )) ASSI { 1278} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 683 and name HB1 )) 2.600 0.800 0.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.48590E-02 ppm1 2.772 ppm2 4.397 CV 1 OR { 1278} (( segid "HID " and resid 680 and name HA )) (( segid "HID " and resid 683 and name HB1 )) ASSI { 1279} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 701 and name HE1 )) 3.800 1.800 1.800 peak 1279 spectrum 1 weight 0.10000E+01 volume 0.78285E-03 ppm1 2.858 ppm2 3.956 CV 1 OR { 1279} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 701 and name HE2 )) OR { 1279} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 701 and name HE1 )) ASSI { 1280} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 716 and name HE1 )) 4.200 2.200 1.800 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.44878E-03 ppm1 2.949 ppm2 3.985 CV 1 OR { 1280} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HE1 )) OR { 1280} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 716 and name HE2 )) OR { 1280} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HE2 )) OR { 1280} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 687 and name HE1 )) ASSI { 1286} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 653 and name HD2 )) 2.800 1.000 1.000 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.25138E-02 ppm1 3.198 ppm2 3.980 CV 1 OR { 1286} (( segid "HID " and resid 642 and name HB1 )) (( segid "HID " and resid 643 and name HD2 )) OR { 1286} (( segid "HID " and resid 642 and name HB1 )) (( segid "HID " and resid 643 and name HD1 )) ASSI { 1291} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HD2 )) 2.900 1.000 1.000 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.30942E-02 ppm1 3.177 ppm2 4.136 CV 1 OR { 1291} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HD2 )) OR { 1291} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 719 and name HD1 )) OR { 1291} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 719 and name HD2 )) OR { 1291} (( segid "HID " and resid 642 and name HA )) (( segid "HID " and resid 643 and name HD2 )) ASSI { 1292} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HD1 )) 2.900 1.000 1.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.32427E-02 ppm1 3.257 ppm2 4.151 CV 1 OR { 1292} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 712 and name HD1 )) OR { 1292} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HD1 )) OR { 1292} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HD2 )) OR { 1292} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HD1 )) ASSI { 1294} (( segid "HID " and resid 655 and name HA )) (( segid "HID " and resid 686 and name HD2 )) 3.600 1.700 1.700 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.71536E-03 ppm1 3.161 ppm2 4.527 CV 1 OR { 1294} (( segid "HID " and resid 655 and name HA )) (( segid "HID " and resid 686 and name HD1 )) OR { 1294} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 653 and name HD2 )) OR { 1294} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 686 and name HD2 )) OR { 1294} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 686 and name HD1 )) ASSI { 1295} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HD1 )) 2.700 0.900 0.900 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.29457E-02 ppm1 3.230 ppm2 4.192 CV 1 OR { 1295} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 653 and name HD2 )) OR { 1295} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 712 and name HD1 )) OR { 1295} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 712 and name HD2 )) ASSI { 1301} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 615 and name HA )) 3.200 1.300 1.300 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.10258E-02 ppm1 4.542 ppm2 3.172 CV 1 OR { 1301} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 655 and name HA )) ASSI { 1302} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 615 and name HA )) 3.600 1.600 1.600 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.74232E-03 ppm1 4.533 ppm2 4.129 CV 1 OR { 1302} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 615 and name HA )) ASSI { 1316} (( segid "HID " and resid 627 and name HB1 )) (( segid "HID " and resid 624 and name HA )) 2.900 1.000 1.000 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.13295E-02 ppm1 4.220 ppm2 3.327 CV 1 OR { 1316} (( segid "HID " and resid 653 and name HD1 )) (( segid "HID " and resid 687 and name HA )) ASSI { 1323} (( segid "HID " and resid 718 and name HB2 )) (( segid "HID " and resid 718 and name HA )) 2.400 0.700 0.700 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.55338E-02 ppm1 4.492 ppm2 3.196 CV 1 OR { 1323} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 618 and name HA )) ASSI { 1324} (( segid "HID " and resid 714 and name HB2 )) (( segid "HID " and resid 714 and name HA )) 2.400 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.56013E-02 ppm1 4.534 ppm2 3.079 CV 1 OR { 1324} (( segid "HID " and resid 618 and name HB2 )) (( segid "HID " and resid 618 and name HA )) OR { 1324} (( segid "HID " and resid 714 and name HB1 )) (( segid "HID " and resid 714 and name HA )) ASSI { 1328} (( segid "HID " and resid 708 and name HD1 )) (( segid "HID " and resid 708 and name HA )) 2.700 0.900 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.23620E-02 ppm1 4.139 ppm2 3.291 CV 1 OR { 1328} (( segid "HID " and resid 632 and name HD1 )) (( segid "HID " and resid 632 and name HA )) OR { 1328} (( segid "HID " and resid 712 and name HD2 )) (( segid "HID " and resid 712 and name HA )) ASSI { 1329} (( segid "HID " and resid 653 and name HD2 )) (( segid "HID " and resid 686 and name HA )) 3.300 1.400 1.400 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.990 ppm2 3.195 CV 1 OR { 1329} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 686 and name HA )) OR { 1329} (( segid "HID " and resid 686 and name HD1 )) (( segid "HID " and resid 686 and name HA )) ASSI { 1353} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 653 and name HD1 )) 3.100 1.200 1.200 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 3.330 ppm2 4.227 CV 1 OR { 1353} (( segid "HID " and resid 650 and name HA )) (( segid "HID " and resid 653 and name HD1 )) ASSI { 1358} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 666 and name HA )) 3.000 1.100 1.100 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.15286E-02 ppm1 4.759 ppm2 1.686 CV 1 OR { 1358} (( segid "HID " and resid 665 and name HB )) (( segid "HID " and resid 666 and name HA )) ASSI { 1368} ( segid "HID " and resid 626 and name HG2%) (( segid "HID " and resid 669 and name HA )) 3.400 1.500 1.500 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.97515E-03 ppm1 4.172 ppm2 1.307 CV 1 OR { 1368} (( segid "HID " and resid 637 and name HG12)) (( segid "HID " and resid 636 and name HA )) ASSI { 1383} (( segid "HID " and resid 643 and name HG2 )) (( segid "HID " and resid 643 and name HA )) 2.300 2.300 3.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.71200E-02 ppm1 4.412 ppm2 1.705 CV 1 OR { 1383} (( segid "HID " and resid 651 and name HD1 )) (( segid "HID " and resid 651 and name HA )) ASSI { 1384} (( segid "HID " and resid 651 and name HB2 )) (( segid "HID " and resid 651 and name HA )) 2.300 0.700 0.700 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.70522E-02 ppm1 4.414 ppm2 1.786 CV 1 OR { 1384} (( segid "HID " and resid 643 and name HB2 )) (( segid "HID " and resid 643 and name HA )) OR { 1384} (( segid "HID " and resid 643 and name HG1 )) (( segid "HID " and resid 643 and name HA )) ASSI { 1385} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HA )) 2.200 0.600 0.600 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.79293E-02 ppm1 4.411 ppm2 2.059 CV 1 OR { 1385} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 651 and name HA )) ASSI { 1388} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 636 and name HA )) 2.600 0.800 0.800 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 4.215 ppm2 1.908 CV 1 OR { 1388} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 636 and name HA )) OR { 1388} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 636 and name HA )) ASSI { 1395} (( segid "HID " and resid 721 and name HG2 )) (( segid "HID " and resid 721 and name HA )) 2.900 1.100 1.100 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.20820E-02 ppm1 4.190 ppm2 2.197 CV 1 OR { 1395} (( segid "HID " and resid 608 and name HG1 )) (( segid "HID " and resid 608 and name HA )) OR { 1395} (( segid "HID " and resid 608 and name HG2 )) (( segid "HID " and resid 608 and name HA )) ASSI { 1397} (( segid "HID " and resid 608 and name HB1 )) (( segid "HID " and resid 608 and name HA )) 2.400 0.700 0.700 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.66811E-02 ppm1 4.195 ppm2 1.972 CV 1 OR { 1397} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HA )) ASSI { 1404} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 617 and name HA )) 2.300 0.700 0.700 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.63437E-02 ppm1 3.940 ppm2 1.574 CV 1 OR { 1404} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 620 and name HA )) OR { 1404} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 617 and name HA )) ASSI { 1409} (( segid "HID " and resid 627 and name HB2 )) (( segid "HID " and resid 628 and name HA )) 3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.71536E-03 ppm1 4.147 ppm2 2.919 CV 1 OR { 1409} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 614 and name HA )) OR { 1409} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 614 and name HA )) ASSI { 1414} (( segid "HID " and resid 644 and name HG )) (( segid "HID " and resid 641 and name HA )) 3.200 1.300 1.300 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 3.583 ppm2 1.899 CV 1 OR { 1414} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 641 and name HA )) OR { 1414} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 641 and name HA )) ASSI { 1418} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 685 and name HA )) 2.500 0.800 0.800 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 3.710 ppm2 1.257 CV 1 OR { 1418} (( segid "HID " and resid 685 and name HB2 )) (( segid "HID " and resid 685 and name HA )) ASSI { 1423} (( segid "HID " and resid 700 and name HB2 )) (( segid "HID " and resid 700 and name HA )) 2.600 0.900 0.900 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.32292E-02 ppm1 3.972 ppm2 1.676 CV 1 OR { 1423} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 672 and name HA )) ASSI { 1425} (( segid "HID " and resid 635 and name HB1 )) (( segid "HID " and resid 635 and name HA )) 2.000 0.500 0.500 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 3.928 ppm2 2.198 CV 1 OR { 1425} (( segid "HID " and resid 638 and name HB1 )) (( segid "HID " and resid 635 and name HA )) ASSI { 1426} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 723 and name HA )) 2.100 0.500 0.500 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.15218E-01 ppm1 4.136 ppm2 2.018 CV 1 OR { 1426} (( segid "HID " and resid 614 and name HB1 )) (( segid "HID " and resid 614 and name HA )) OR { 1426} (( segid "HID " and resid 723 and name HB1 )) (( segid "HID " and resid 723 and name HA )) OR { 1426} (( segid "HID " and resid 616 and name HB1 )) (( segid "HID " and resid 616 and name HA )) ASSI { 1427} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 720 and name HA )) 2.100 0.600 0.600 peak 1427 spectrum 1 weight 0.10000E+01 volume 0.11236E-01 ppm1 4.091 ppm2 2.039 CV 1 OR { 1427} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 634 and name HA )) OR { 1427} (( segid "HID " and resid 720 and name HB1 )) (( segid "HID " and resid 720 and name HA )) ASSI { 1428} (( segid "HID " and resid 631 and name HB )) (( segid "HID " and resid 628 and name HA )) 2.200 0.600 0.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.12046E-01 ppm1 4.141 ppm2 2.232 CV 1 OR { 1428} (( segid "HID " and resid 616 and name HG1 )) (( segid "HID " and resid 616 and name HA )) OR { 1428} (( segid "HID " and resid 723 and name HG1 )) (( segid "HID " and resid 723 and name HA )) OR { 1428} (( segid "HID " and resid 616 and name HG2 )) (( segid "HID " and resid 616 and name HA )) OR { 1428} (( segid "HID " and resid 614 and name HG1 )) (( segid "HID " and resid 614 and name HA )) OR { 1428} (( segid "HID " and resid 723 and name HG2 )) (( segid "HID " and resid 723 and name HA )) ASSI { 1429} (( segid "HID " and resid 616 and name HB2 )) (( segid "HID " and resid 616 and name HA )) 2.100 0.600 0.600 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.11000E-01 ppm1 4.146 ppm2 1.939 CV 1 OR { 1429} (( segid "HID " and resid 614 and name HB2 )) (( segid "HID " and resid 614 and name HA )) ASSI { 1441} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 645 and name HA )) 3.900 1.900 1.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 4.412 ppm2 1.592 CV 1 OR { 1441} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 683 and name HA )) ASSI { 1443} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 671 and name HA )) 2.300 0.600 0.600 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.81322E-02 ppm1 4.147 ppm2 1.444 CV 1 OR { 1443} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 712 and name HA )) ASSI { 1446} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HA )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 4.215 ppm2 1.574 CV 1 OR { 1446} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 624 and name HA )) ASSI { 1447} (( segid "HID " and resid 687 and name HD2 )) (( segid "HID " and resid 687 and name HA )) 3.200 1.300 1.300 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.20212E-02 ppm1 4.220 ppm2 1.652 CV 1 OR { 1447} (( segid "HID " and resid 687 and name HD1 )) (( segid "HID " and resid 687 and name HA )) OR { 1447} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 687 and name HA )) ASSI { 1451} (( segid "HID " and resid 619 and name HB1 )) (( segid "HID " and resid 619 and name HA )) 2.200 0.600 0.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.81322E-02 ppm1 3.978 ppm2 2.056 CV 1 OR { 1451} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 672 and name HA )) OR { 1451} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 672 and name HA )) OR { 1451} (( segid "HID " and resid 619 and name HB2 )) (( segid "HID " and resid 619 and name HA )) ASSI { 1453} (( segid "HID " and resid 711 and name HB1 )) (( segid "HID " and resid 708 and name HA )) 2.300 0.600 0.600 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.79635E-02 ppm1 4.169 ppm2 2.366 CV 1 OR { 1453} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 709 and name HA )) OR { 1453} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 709 and name HA )) ASSI { 1454} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 709 and name HA )) 1.900 0.500 0.500 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.18727E-01 ppm1 4.160 ppm2 2.205 CV 1 OR { 1454} (( segid "HID " and resid 671 and name HB1 )) (( segid "HID " and resid 671 and name HA )) OR { 1454} (( segid "HID " and resid 709 and name HB1 )) (( segid "HID " and resid 709 and name HA )) OR { 1454} (( segid "HID " and resid 702 and name HB2 )) (( segid "HID " and resid 702 and name HA )) ASSI { 1455} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HA )) 2.400 0.700 0.700 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.71536E-02 ppm1 4.147 ppm2 2.098 CV 1 OR { 1455} (( segid "HID " and resid 705 and name HB1 )) (( segid "HID " and resid 702 and name HA )) OR { 1455} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 708 and name HA )) OR { 1455} (( segid "HID " and resid 705 and name HB2 )) (( segid "HID " and resid 702 and name HA )) ASSI { 1458} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 712 and name HA )) 3.200 1.300 1.300 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.18559E-02 ppm1 4.148 ppm2 2.877 CV 1 OR { 1458} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 671 and name HA )) OR { 1458} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 712 and name HA )) ASSI { 1461} (( segid "HID " and resid 712 and name HG2 )) (( segid "HID " and resid 712 and name HA )) 2.500 0.800 0.800 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 4.152 ppm2 1.653 CV 1 OR { 1461} (( segid "HID " and resid 712 and name HG1 )) (( segid "HID " and resid 712 and name HA )) OR { 1461} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 671 and name HA )) ASSI { 1463} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 647 and name HA )) 2.500 0.800 0.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.32866E-02 ppm1 4.086 ppm2 1.571 CV 1 OR { 1463} (( segid "HID " and resid 668 and name HG1 )) (( segid "HID " and resid 668 and name HA )) ASSI { 1464} (( segid "HID " and resid 668 and name HG2 )) (( segid "HID " and resid 668 and name HA )) 3.000 1.100 1.100 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.29728E-02 ppm1 4.067 ppm2 1.457 CV 1 OR { 1464} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 647 and name HA )) ASSI { 1465} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 639 and name HA )) 2.500 0.800 0.800 peak 1465 spectrum 1 weight 0.10000E+01 volume 0.53314E-02 ppm1 3.967 ppm2 1.410 CV 1 OR { 1465} (( segid "HID " and resid 698 and name HG2 )) (( segid "HID " and resid 698 and name HA )) OR { 1465} (( segid "HID " and resid 698 and name HG1 )) (( segid "HID " and resid 698 and name HA )) OR { 1465} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HA )) ASSI { 1466} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 686 and name HA )) 2.300 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.97515E-02 ppm1 3.982 ppm2 1.695 CV 1 OR { 1466} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 686 and name HA )) OR { 1466} (( segid "HID " and resid 640 and name HD1 )) (( segid "HID " and resid 640 and name HA )) OR { 1466} (( segid "HID " and resid 640 and name HD2 )) (( segid "HID " and resid 640 and name HA )) OR { 1466} (( segid "HID " and resid 698 and name HD1 )) (( segid "HID " and resid 698 and name HA )) OR { 1466} (( segid "HID " and resid 698 and name HD2 )) (( segid "HID " and resid 698 and name HA )) ASSI { 1467} (( segid "HID " and resid 686 and name HG1 )) (( segid "HID " and resid 686 and name HA )) 2.300 0.700 0.700 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.77606E-02 ppm1 3.965 ppm2 1.673 CV 1 OR { 1467} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 686 and name HA )) OR { 1467} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 686 and name HA )) OR { 1467} (( segid "HID " and resid 640 and name HD1 )) (( segid "HID " and resid 640 and name HA )) OR { 1467} (( segid "HID " and resid 640 and name HD2 )) (( segid "HID " and resid 640 and name HA )) OR { 1467} (( segid "HID " and resid 698 and name HD1 )) (( segid "HID " and resid 698 and name HA )) OR { 1467} (( segid "HID " and resid 654 and name HB2 )) (( segid "HID " and resid 686 and name HA )) OR { 1467} (( segid "HID " and resid 698 and name HD2 )) (( segid "HID " and resid 698 and name HA )) ASSI { 1468} (( segid "HID " and resid 701 and name HD2 )) (( segid "HID " and resid 701 and name HA )) 2.400 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.53989E-02 ppm1 3.984 ppm2 1.567 CV 1 OR { 1468} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 639 and name HA )) OR { 1468} (( segid "HID " and resid 701 and name HD1 )) (( segid "HID " and resid 701 and name HA )) ASSI { 1470} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 704 and name HA )) 3.200 1.300 1.300 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 3.822 ppm2 1.299 CV 1 OR { 1470} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 704 and name HA )) ASSI { 1471} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 649 and name HA )) 2.300 0.600 0.600 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.73223E-02 ppm1 3.805 ppm2 2.209 CV 1 OR { 1471} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HA )) OR { 1471} (( segid "HID " and resid 704 and name HG1 )) (( segid "HID " and resid 704 and name HA )) ASSI { 1472} (( segid "HID " and resid 706 and name HB2 )) (( segid "HID " and resid 706 and name HA )) 1.800 0.400 0.400 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.27467E-01 ppm1 3.991 ppm2 1.897 CV 1 OR { 1472} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 686 and name HA )) OR { 1472} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 640 and name HA )) OR { 1472} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 639 and name HA )) OR { 1472} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 701 and name HA )) OR { 1472} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 639 and name HA )) OR { 1472} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HA )) OR { 1472} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 640 and name HA )) OR { 1472} (( segid "HID " and resid 686 and name HB1 )) (( segid "HID " and resid 686 and name HA )) OR { 1472} (( segid "HID " and resid 704 and name HB1 )) (( segid "HID " and resid 701 and name HA )) ASSI { 1473} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 712 and name HA )) 1.900 0.400 0.400 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.20448E-01 ppm1 4.133 ppm2 1.906 CV 1 OR { 1473} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 712 and name HA )) OR { 1473} (( segid "HID " and resid 708 and name HB2 )) (( segid "HID " and resid 708 and name HA )) OR { 1473} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HA )) OR { 1473} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 632 and name HA )) OR { 1473} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 632 and name HA )) ASSI { 1479} (( segid "HID " and resid 647 and name HB1 )) (( segid "HID " and resid 647 and name HA )) 2.200 0.600 0.600 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.89758E-02 ppm1 4.086 ppm2 2.096 CV 1 OR { 1479} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 668 and name HA )) ASSI { 1481} (( segid "HID " and resid 663 and name HB2 )) (( segid "HID " and resid 663 and name HA )) 2.100 0.600 0.600 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.12013E-01 ppm1 4.188 ppm2 2.081 CV 1 OR { 1481} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 624 and name HA )) OR { 1481} (( segid "HID " and resid 663 and name HB1 )) (( segid "HID " and resid 663 and name HA )) OR { 1481} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HA )) ASSI { 1482} (( segid "HID " and resid 706 and name HG1 )) (( segid "HID " and resid 706 and name HA )) 2.600 0.800 0.800 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 4.028 ppm2 2.422 CV 1 OR { 1482} (( segid "HID " and resid 705 and name HG1 )) (( segid "HID " and resid 705 and name HA )) ASSI { 1483} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 639 and name HA )) 2.500 0.800 0.800 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.47578E-02 ppm1 3.990 ppm2 1.434 CV 1 OR { 1483} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 686 and name HA )) OR { 1483} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HA )) ASSI { 1484} (( segid "HID " and resid 632 and name HB1 )) (( segid "HID " and resid 632 and name HA )) 2.200 0.600 0.600 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.89758E-02 ppm1 4.149 ppm2 2.002 CV 1 OR { 1484} (( segid "HID " and resid 712 and name HB1 )) (( segid "HID " and resid 712 and name HA )) OR { 1484} (( segid "HID " and resid 708 and name HG2 )) (( segid "HID " and resid 708 and name HA )) OR { 1484} (( segid "HID " and resid 708 and name HG1 )) (( segid "HID " and resid 708 and name HA )) ASSI { 1485} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 647 and name HA )) 2.100 0.600 0.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.11169E-01 ppm1 4.089 ppm2 1.956 CV 1 OR { 1485} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 668 and name HA )) OR { 1485} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 632 and name HA )) ASSI { 1486} (( segid "HID " and resid 667 and name HB2 )) (( segid "HID " and resid 667 and name HA )) 2.200 0.600 0.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.86384E-02 ppm1 3.883 ppm2 1.892 CV 1 OR { 1486} (( segid "HID " and resid 667 and name HB1 )) (( segid "HID " and resid 667 and name HA )) OR { 1486} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 635 and name HA )) ASSI { 1489} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 718 and name HA )) 3.100 1.200 1.200 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.99544E-03 ppm1 4.478 ppm2 2.009 CV 1 OR { 1489} (( segid "HID " and resid 619 and name HB1 )) (( segid "HID " and resid 618 and name HA )) ASSI { 1490} (( segid "HID " and resid 717 and name HB )) (( segid "HID " and resid 714 and name HA )) 3.400 1.400 1.400 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.92118E-03 ppm1 4.523 ppm2 2.078 CV 1 OR { 1490} (( segid "HID " and resid 664 and name HB )) (( segid "HID " and resid 662 and name HA )) OR { 1490} (( segid "HID " and resid 663 and name HB1 )) (( segid "HID " and resid 662 and name HA )) ASSI { 1493} (( segid "HID " and resid 670 and name HB1 )) (( segid "HID " and resid 667 and name HA )) 3.000 1.100 1.100 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.18795E-02 ppm1 3.881 ppm2 2.097 CV 1 OR { 1493} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 635 and name HA )) OR { 1493} (( segid "HID " and resid 670 and name HG )) (( segid "HID " and resid 667 and name HA )) ASSI { 1503} (( segid "HID " and resid 720 and name HB1 )) (( segid "HID " and resid 717 and name HA )) 2.900 1.100 1.100 peak 1503 spectrum 1 weight 0.10000E+01 volume 0.18761E-02 ppm1 3.974 ppm2 2.062 CV 1 OR { 1503} (( segid "HID " and resid 717 and name HB )) (( segid "HID " and resid 717 and name HA )) OR { 1503} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 717 and name HA )) ASSI { 1505} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 695 and name HA )) 2.400 0.700 0.700 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.55676E-02 ppm1 3.784 ppm2 1.997 CV 1 OR { 1505} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 695 and name HA )) OR { 1505} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 695 and name HA )) ASSI { 1514} (( segid "HID " and resid 637 and name HG11)) (( segid "HID " and resid 637 and name HA )) 2.400 0.700 0.700 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.56013E-02 ppm1 3.737 ppm2 1.917 CV 1 OR { 1514} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 637 and name HA )) OR { 1514} (( segid "HID " and resid 667 and name HB1 )) (( segid "HID " and resid 664 and name HA )) OR { 1514} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 637 and name HA )) ASSI { 1516} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 637 and name HA )) 2.400 0.700 0.700 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.62764E-02 ppm1 3.744 ppm2 0.984 CV 1 OR { 1516} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 664 and name HA )) ASSI { 1517} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 664 and name HA )) 2.400 0.700 0.700 peak 1517 spectrum 1 weight 0.10000E+01 volume 0.60063E-02 ppm1 3.750 ppm2 0.914 CV 1 OR { 1517} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 637 and name HA )) ASSI { 1518} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 682 and name HA )) 2.500 0.800 0.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 3.521 ppm2 0.838 CV 1 OR { 1518} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 682 and name HA )) OR { 1518} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 682 and name HA )) ASSI { 1522} (( segid "HID " and resid 685 and name HB1 )) (( segid "HID " and resid 682 and name HA )) 3.700 1.700 1.700 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.11574E-02 ppm1 3.526 ppm2 2.075 CV 1 OR { 1522} (( segid "HID " and resid 670 and name HG )) (( segid "HID " and resid 682 and name HA )) ASSI { 1528} (( segid "HID " and resid 696 and name HB )) (( segid "HID " and resid 696 and name HA )) 3.400 1.500 1.500 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.74574E-03 ppm1 3.773 ppm2 1.992 CV 1 OR { 1528} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 696 and name HA )) ASSI { 1536} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HA )) 3.500 1.600 1.600 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.62422E-03 ppm1 4.197 ppm2 0.899 CV 1 OR { 1536} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 694 and name HA )) OR { 1536} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 694 and name HA )) OR { 1536} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 694 and name HA )) ASSI { 1544} (( segid "HID " and resid 631 and name HG11)) (( segid "HID " and resid 631 and name HA )) 3.500 1.500 1.500 peak 1544 spectrum 1 weight 0.10000E+01 volume 0.13329E-02 ppm1 3.398 ppm2 1.903 CV 1 OR { 1544} (( segid "HID " and resid 634 and name HG )) (( segid "HID " and resid 631 and name HA )) ASSI { 1553} (( segid "HID " and resid 677 and name HG1 )) (( segid "HID " and resid 676 and name HB1 )) 3.700 1.700 1.700 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.72209E-03 ppm1 2.859 ppm2 1.692 CV 1 OR { 1553} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 676 and name HB2 )) OR { 1553} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 676 and name HB1 )) OR { 1553} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 674 and name HB1 )) OR { 1553} (( segid "HID " and resid 677 and name HG1 )) (( segid "HID " and resid 674 and name HB1 )) OR { 1553} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 676 and name HB1 )) ASSI { 1556} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 668 and name HE2 )) 2.600 0.800 0.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 2.875 ppm2 1.836 CV 1 OR { 1556} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 668 and name HE1 )) OR { 1556} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HE1 )) OR { 1556} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HE2 )) ASSI { 1558} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 651 and name HE2 )) 2.700 0.900 0.900 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.26016E-02 ppm1 2.976 ppm2 2.323 CV 1 OR { 1558} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 651 and name HE1 )) OR { 1558} (( segid "HID " and resid 694 and name HB1 )) (( segid "HID " and resid 698 and name HE1 )) ASSI { 1560} (( segid "HID " and resid 677 and name HG2 )) (( segid "HID " and resid 677 and name HE1 )) 2.000 0.500 0.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.17715E-01 ppm1 2.974 ppm2 1.571 CV 1 OR { 1560} (( segid "HID " and resid 677 and name HG2 )) (( segid "HID " and resid 677 and name HE2 )) OR { 1560} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HE1 )) OR { 1560} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HE2 )) ASSI { 1561} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HE2 )) 2.200 0.600 0.600 peak 1561 spectrum 1 weight 0.10000E+01 volume 0.10359E-01 ppm1 2.960 ppm2 1.448 CV 1 OR { 1561} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HE2 )) OR { 1561} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HE1 )) OR { 1561} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HE1 )) OR { 1561} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HE2 )) OR { 1561} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HE1 )) OR { 1561} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HE1 )) ASSI { 1563} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HE2 )) 2.600 0.800 0.800 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.64788E-02 ppm1 2.952 ppm2 1.901 CV 1 OR { 1563} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HE1 )) OR { 1563} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 728 and name HE2 )) OR { 1563} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 716 and name HE2 )) OR { 1563} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 728 and name HE1 )) OR { 1563} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 716 and name HE1 )) ASSI { 1566} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 701 and name HE1 )) 2.400 0.700 0.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.52302E-02 ppm1 2.866 ppm2 0.831 CV 1 OR { 1566} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 701 and name HE2 )) OR { 1566} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 701 and name HE1 )) ASSI { 1567} ( segid "SID " and resid 211 and name HD2%) (( segid "HID " and resid 703 and name HE1 )) 2.900 1.000 1.000 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.23789E-02 ppm1 2.873 ppm2 0.732 CV 1 OR { 1567} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 701 and name HE1 )) OR { 1567} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 701 and name HE2 )) ASSI { 1568} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 651 and name HE2 )) 3.100 1.200 1.200 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 3.001 ppm2 0.831 CV 1 OR { 1568} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 651 and name HE1 )) OR { 1568} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 716 and name HE1 )) OR { 1568} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 716 and name HE2 )) OR { 1568} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 687 and name HE1 )) ASSI { 1570} (( segid "HID " and resid 712 and name HB1 )) (( segid "HID " and resid 712 and name HD2 )) 2.400 0.700 0.700 peak 1570 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 3.250 ppm2 1.994 CV 1 OR { 1570} (( segid "HID " and resid 632 and name HB1 )) (( segid "HID " and resid 632 and name HD1 )) OR { 1570} (( segid "HID " and resid 712 and name HB1 )) (( segid "HID " and resid 712 and name HD1 )) ASSI { 1571} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 632 and name HD2 )) 1.900 0.400 0.400 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.26489E-01 ppm1 3.180 ppm2 1.900 CV 1 OR { 1571} (( segid "HID " and resid 686 and name HB1 )) (( segid "HID " and resid 686 and name HD1 )) OR { 1571} (( segid "HID " and resid 667 and name HB2 )) (( segid "HID " and resid 667 and name HD2 )) OR { 1571} (( segid "HID " and resid 667 and name HB2 )) (( segid "HID " and resid 667 and name HD1 )) OR { 1571} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 686 and name HD1 )) OR { 1571} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 632 and name HD2 )) OR { 1571} (( segid "HID " and resid 667 and name HB1 )) (( segid "HID " and resid 667 and name HD1 )) OR { 1571} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 686 and name HD2 )) ASSI { 1572} (( segid "HID " and resid 643 and name HG1 )) (( segid "HID " and resid 643 and name HD2 )) 2.000 0.500 0.500 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.16129E-01 ppm1 3.199 ppm2 1.776 CV 1 OR { 1572} (( segid "HID " and resid 643 and name HG1 )) (( segid "HID " and resid 643 and name HD1 )) OR { 1572} (( segid "HID " and resid 632 and name HG2 )) (( segid "HID " and resid 632 and name HD2 )) OR { 1572} (( segid "HID " and resid 643 and name HB2 )) (( segid "HID " and resid 643 and name HD1 )) ASSI { 1573} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 653 and name HD2 )) 2.000 0.500 0.500 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.12451E-01 ppm1 3.202 ppm2 1.697 CV 1 OR { 1573} (( segid "HID " and resid 643 and name HG2 )) (( segid "HID " and resid 643 and name HD1 )) OR { 1573} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 653 and name HD2 )) OR { 1573} (( segid "HID " and resid 643 and name HG2 )) (( segid "HID " and resid 643 and name HD2 )) ASSI { 1575} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HD1 )) 2.100 0.500 0.500 peak 1575 spectrum 1 weight 0.10000E+01 volume 0.12114E-01 ppm1 3.121 ppm2 1.535 CV 1 OR { 1575} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HD1 )) OR { 1575} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HD2 )) OR { 1575} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HD2 )) OR { 1575} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 719 and name HD1 )) ASSI { 1576} (( segid "HID " and resid 719 and name HG1 )) (( segid "HID " and resid 719 and name HD1 )) 2.300 0.700 0.700 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.78621E-02 ppm1 3.122 ppm2 1.672 CV 1 OR { 1576} (( segid "HID " and resid 719 and name HG1 )) (( segid "HID " and resid 719 and name HD2 )) OR { 1576} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 612 and name HD1 )) ASSI { 1577} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 719 and name HD1 )) 2.200 0.600 0.600 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.11034E-01 ppm1 3.137 ppm2 1.808 CV 1 OR { 1577} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 719 and name HD1 )) OR { 1577} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 719 and name HD2 )) OR { 1577} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 719 and name HD2 )) OR { 1577} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HD1 )) ASSI { 1578} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 632 and name HD1 )) 2.000 0.500 0.500 peak 1578 spectrum 1 weight 0.10000E+01 volume 0.15758E-01 ppm1 3.248 ppm2 1.896 CV 1 OR { 1578} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HD1 )) OR { 1578} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HD2 )) OR { 1578} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 632 and name HD1 )) ASSI { 1580} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 653 and name HD2 )) 1.800 0.400 0.400 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.27804E-01 ppm1 3.215 ppm2 1.653 CV 1 OR { 1580} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 653 and name HD2 )) OR { 1580} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 667 and name HD2 )) OR { 1580} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 667 and name HD1 )) ASSI { 1590} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HD2 )) 4.200 2.200 1.800 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.53314E-03 ppm1 3.440 ppm2 0.862 CV 1 OR { 1590} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 694 and name HD2 )) ASSI { 1603} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 641 and name HA )) 3.200 1.300 1.300 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.22608E-02 ppm1 3.579 ppm2 0.664 CV 1 OR { 1603} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 641 and name HA )) ASSI { 1606} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HA )) 2.900 1.000 1.000 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.25577E-02 ppm1 3.942 ppm2 0.851 CV 1 OR { 1606} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 617 and name HA )) ASSI { 1607} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HA )) 3.000 1.100 1.100 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.16230E-02 ppm1 3.939 ppm2 0.917 CV 1 OR { 1607} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 620 and name HA )) ASSI { 1617} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 697 and name HA )) 2.600 0.800 0.800 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.40154E-02 ppm1 3.927 ppm2 0.832 CV 1 OR { 1617} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 711 and name HA )) OR { 1617} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 697 and name HA )) ASSI { 1618} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 697 and name HA )) 2.300 0.700 0.700 peak 1618 spectrum 1 weight 0.10000E+01 volume 0.85705E-02 ppm1 3.927 ppm2 0.917 CV 1 OR { 1618} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 711 and name HA )) ASSI { 1619} (( segid "HID " and resid 703 and name HB2 )) (( segid "HID " and resid 700 and name HA )) 3.100 1.200 1.200 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.10461E-02 ppm1 3.977 ppm2 1.227 CV 1 OR { 1619} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 700 and name HA )) ASSI { 1626} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 708 and name HA )) 3.200 1.200 1.200 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 4.142 ppm2 0.925 CV 1 OR { 1626} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 625 and name HA )) ASSI { 1627} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 625 and name HA )) 3.500 1.600 1.600 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.70522E-03 ppm1 4.152 ppm2 0.959 CV 1 OR { 1627} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 625 and name HA )) OR { 1627} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HA )) ASSI { 1633} ( segid "HID " and resid 620 and name HD2%) ( segid "HID " and resid 710 and name HB% ) 2.800 1.000 1.000 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 1.593 ppm2 0.855 CV 1 OR { 1633} ( segid "HID " and resid 633 and name HG2%) ( segid "HID " and resid 636 and name HB% ) ASSI { 1637} (( segid "SID " and resid 211 and name HG )) ( segid "HID " and resid 673 and name HG2%) 2.700 0.900 0.900 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 1.220 ppm2 1.623 CV 1 OR { 1637} (( segid "HID " and resid 672 and name HG2 )) ( segid "HID " and resid 673 and name HG2%) OR { 1637} (( segid "HID " and resid 672 and name HG1 )) ( segid "HID " and resid 673 and name HG2%) ASSI { 1638} (( segid "HID " and resid 703 and name HB1 )) ( segid "HID " and resid 702 and name HE% ) 3.400 1.500 1.500 peak 1638 spectrum 1 weight 0.10000E+01 volume 0.13902E-02 ppm1 2.063 ppm2 1.241 CV 1 OR { 1638} ( segid "HID " and resid 673 and name HG2%) ( segid "HID " and resid 702 and name HE% ) ASSI { 1639} (( segid "SID " and resid 219 and name HA )) ( segid "HID " and resid 695 and name HD1%) 2.800 1.000 1.000 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.34418E-02 ppm1 0.879 ppm2 4.293 CV 1 OR { 1639} (( segid "SID " and resid 222 and name HA )) ( segid "HID " and resid 695 and name HD1%) ASSI { 1649} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 673 and name HD1%) 2.900 1.100 1.100 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 0.678 ppm2 1.666 CV 1 OR { 1649} ( segid "HID " and resid 669 and name HB% ) ( segid "HID " and resid 673 and name HD1%) OR { 1649} (( segid "HID " and resid 699 and name HG1 )) ( segid "HID " and resid 673 and name HD1%) OR { 1649} (( segid "SID " and resid 211 and name HG )) ( segid "HID " and resid 673 and name HD1%) OR { 1649} (( segid "HID " and resid 699 and name HG2 )) ( segid "HID " and resid 673 and name HD1%) ASSI { 1650} ( segid "HID " and resid 700 and name HD1%) ( segid "HID " and resid 673 and name HG2%) 3.000 1.100 1.100 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.27433E-02 ppm1 1.220 ppm2 0.966 CV 1 OR { 1650} ( segid "SID " and resid 210 and name HD1%) ( segid "HID " and resid 673 and name HG2%) OR { 1650} ( segid "SID " and resid 210 and name HD2%) ( segid "HID " and resid 673 and name HG2%) ASSI { 1662} ( segid "SID " and resid 220 and name HD2%) ( segid "HID " and resid 681 and name HD1%) 2.700 2.700 3.300 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 0.202 ppm2 0.920 CV 1 OR { 1662} ( segid "HID " and resid 695 and name HG2%) ( segid "HID " and resid 681 and name HD1%) ASSI { 1663} (( segid "HID " and resid 677 and name HG1 )) ( segid "HID " and resid 681 and name HD1%) 3.600 1.600 1.600 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.79635E-03 ppm1 0.205 ppm2 1.710 CV 1 OR { 1663} (( segid "HID " and resid 677 and name HD1 )) ( segid "HID " and resid 681 and name HD1%) OR { 1663} (( segid "HID " and resid 682 and name HG11)) ( segid "HID " and resid 681 and name HD1%) ASSI { 1665} ( segid "HID " and resid 670 and name HD2%) ( segid "HID " and resid 681 and name HG2%) 2.400 0.700 0.700 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.67147E-02 ppm1 0.522 ppm2 0.829 CV 1 OR { 1665} ( segid "HID " and resid 685 and name HD1%) ( segid "HID " and resid 681 and name HG2%) OR { 1665} ( segid "SID " and resid 223 and name HD1%) ( segid "HID " and resid 681 and name HG2%) ASSI { 1668} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 691 and name HD1%) 3.400 1.500 1.500 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.83010E-03 ppm1 0.834 ppm2 1.236 CV 1 OR { 1668} ( segid "SID " and resid 222 and name HG2%) ( segid "HID " and resid 691 and name HD1%) ASSI { 1669} (( segid "SID " and resid 222 and name HA )) ( segid "HID " and resid 691 and name HG2%) 3.200 3.200 2.800 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.16500E-02 ppm1 0.880 ppm2 4.275 CV 1 OR { 1669} (( segid "SID " and resid 219 and name HA )) ( segid "HID " and resid 691 and name HG2%) ASSI { 1671} ( segid "SID " and resid 222 and name HG2%) ( segid "HID " and resid 691 and name HG2%) 2.600 0.900 0.900 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.49265E-02 ppm1 0.879 ppm2 1.233 CV 1 OR { 1671} ( segid "HID " and resid 692 and name HB% ) ( segid "HID " and resid 691 and name HG2%) ASSI { 1672} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 692 and name HA )) 2.600 0.800 0.800 peak 1672 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 4.054 ppm2 0.883 CV 1 OR { 1672} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 692 and name HA )) OR { 1672} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 692 and name HA )) ASSI { 1673} ( segid "HID " and resid 691 and name HG2%) ( segid "HID " and resid 692 and name HB% ) 3.100 1.200 1.200 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.28276E-02 ppm1 1.257 ppm2 0.866 CV 1 OR { 1673} ( segid "HID " and resid 695 and name HD1%) ( segid "HID " and resid 692 and name HB% ) OR { 1673} ( segid "HID " and resid 693 and name HG2%) ( segid "HID " and resid 692 and name HB% ) ASSI { 1678} ( segid "HID " and resid 622 and name HG1%) ( segid "HID " and resid 623 and name HG2%) 3.200 1.300 1.300 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 0.022 ppm2 0.860 CV 1 OR { 1678} ( segid "HID " and resid 620 and name HD2%) ( segid "HID " and resid 623 and name HG2%) OR { 1678} ( segid "HID " and resid 622 and name HG2%) ( segid "HID " and resid 623 and name HG2%) ASSI { 1680} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 714 and name HA )) 2.700 0.900 0.900 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.28108E-02 ppm1 4.503 ppm2 -0.778 CV 1 OR { 1680} ( segid "HID " and resid 618 and name HD% ) (( segid "HID " and resid 618 and name HA )) ASSI { 1691} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HD1 )) 2.700 0.900 0.900 peak 1691 spectrum 1 weight 0.10000E+01 volume 0.51289E-02 ppm1 1.686 ppm2 3.983 CV 1 OR { 1691} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HD2 )) OR { 1691} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 716 and name HD2 )) OR { 1691} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HD1 )) OR { 1691} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HD2 )) ASSI { 1692} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 701 and name HG1 )) 2.900 1.000 1.000 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.19402E-02 ppm1 1.361 ppm2 3.969 CV 1 OR { 1692} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HG2 )) OR { 1692} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HG1 )) OR { 1692} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 701 and name HG2 )) ASSI { 1710} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 671 and name HG2 )) 3.400 1.400 1.400 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.75919E-03 ppm1 2.416 ppm2 0.861 CV 1 OR { 1710} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 671 and name HG1 )) OR { 1710} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 711 and name HG1 )) OR { 1710} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 671 and name HG1 )) ASSI { 1713} (( segid "HID " and resid 664 and name HB )) (( segid "HID " and resid 668 and name HE1 )) 3.300 1.400 1.400 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 2.890 ppm2 2.051 CV 1 OR { 1713} (( segid "HID " and resid 664 and name HB )) (( segid "HID " and resid 668 and name HE2 )) OR { 1713} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 724 and name HE2 )) OR { 1713} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 724 and name HE1 )) OR { 1713} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 701 and name HE2 )) OR { 1713} (( segid "HID " and resid 700 and name HG )) (( segid "HID " and resid 701 and name HE1 )) OR { 1713} (( segid "HID " and resid 700 and name HG )) (( segid "HID " and resid 701 and name HE2 )) OR { 1713} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 701 and name HE1 )) OR { 1713} (( segid "HID " and resid 720 and name HB1 )) (( segid "HID " and resid 724 and name HE2 )) OR { 1713} (( segid "HID " and resid 720 and name HB1 )) (( segid "HID " and resid 724 and name HE1 )) OR { 1713} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 724 and name HE2 )) ASSI { 1720} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 708 and name HD1 )) 2.400 2.400 3.600 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 3.294 ppm2 1.848 CV 1 OR { 1720} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 708 and name HD1 )) OR { 1720} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 708 and name HD1 )) ASSI { 1725} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 670 and name HD1%) 2.500 0.800 0.800 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.56688E-02 ppm1 0.978 ppm2 1.197 CV 1 OR { 1725} ( segid "HID " and resid 673 and name HG2%) ( segid "HID " and resid 670 and name HD1%) ASSI { 1726} ( segid "HID " and resid 670 and name HD2%) ( segid "HID " and resid 670 and name HD1%) 2.300 0.600 0.600 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.88743E-02 ppm1 0.978 ppm2 0.826 CV 1 OR { 1726} ( segid "HID " and resid 682 and name HD1%) ( segid "HID " and resid 670 and name HD1%) ASSI { 1729} (( segid "SID " and resid 211 and name HA )) (( segid "HID " and resid 703 and name HE2 )) 3.300 1.400 1.400 peak 1729 spectrum 1 weight 0.10000E+01 volume 0.93132E-03 ppm1 2.751 ppm2 4.459 CV 1 OR { 1729} (( segid "SID " and resid 210 and name HA )) (( segid "HID " and resid 703 and name HE2 )) ASSI { 1730} (( segid "SID " and resid 210 and name HA )) (( segid "HID " and resid 703 and name HE1 )) 4.400 2.400 1.600 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.15218E-03 ppm1 2.889 ppm2 4.473 CV 1 OR { 1730} (( segid "SID " and resid 211 and name HA )) (( segid "HID " and resid 703 and name HE1 )) ASSI { 1733} (( segid "HID " and resid 703 and name HG2 )) (( segid "HID " and resid 703 and name HE1 )) 2.600 0.800 0.800 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 2.886 ppm2 1.408 CV 1 OR { 1733} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 640 and name HE1 )) OR { 1733} (( segid "HID " and resid 703 and name HG1 )) (( segid "HID " and resid 703 and name HE1 )) OR { 1733} (( segid "HID " and resid 668 and name HG2 )) (( segid "HID " and resid 668 and name HE1 )) ASSI { 1738} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 652 and name HB2 )) 4.900 3.000 1.100 peak 1738 spectrum 1 weight 0.10000E+01 volume 0.18154E-03 ppm1 3.017 ppm2 3.793 CV 1 OR { 1738} (( segid "HID " and resid 690 and name HB2 )) (( segid "HID " and resid 688 and name HB1 )) ASSI { 1757} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 638 and name HG1 )) 3.100 1.200 1.200 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.16230E-02 ppm1 2.249 ppm2 0.853 CV 1 OR { 1757} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 638 and name HG2 )) OR { 1757} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 711 and name HG2 )) OR { 1757} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 638 and name HG1 )) ASSI { 1762} (( segid "HID " and resid 697 and name HA )) ( segid "HID " and resid 696 and name HG2%) 2.700 0.900 0.900 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.24970E-02 ppm1 0.984 ppm2 3.948 CV 1 OR { 1762} (( segid "HID " and resid 700 and name HA )) ( segid "HID " and resid 696 and name HG2%) OR { 1762} (( segid "HID " and resid 626 and name HA )) ( segid "HID " and resid 628 and name HD1%) OR { 1762} (( segid "HID " and resid 684 and name HA1 )) ( segid "HID " and resid 696 and name HG2%) OR { 1762} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 696 and name HG2%) ASSI { 1771} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 649 and name HG1 )) 4.400 2.400 1.600 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.27703E-03 ppm1 2.669 ppm2 0.641 CV 1 OR { 1771} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 649 and name HG1 )) ASSI { 1777} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 718 and name HA )) 3.700 1.700 1.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.66811E-03 ppm1 4.493 ppm2 0.869 CV 1 OR { 1777} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 618 and name HA )) OR { 1777} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 714 and name HA )) OR { 1777} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 662 and name HA )) ASSI { 1779} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 658 and name HD2%) 3.000 1.100 1.100 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.17445E-02 ppm1 0.715 ppm2 2.085 CV 1 OR { 1779} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 658 and name HD2%) OR { 1779} (( segid "HID " and resid 663 and name HB2 )) ( segid "HID " and resid 658 and name HD2%) OR { 1779} (( segid "HID " and resid 637 and name HB )) ( segid "HID " and resid 658 and name HD2%) OR { 1779} (( segid "HID " and resid 633 and name HB )) ( segid "HID " and resid 658 and name HD2%) ASSI { 1784} ( segid "HID " and resid 654 and name HD1%) ( segid "HID " and resid 644 and name HD2%) 2.100 2.100 3.900 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.69849E-02 ppm1 0.672 ppm2 0.916 CV 1 OR { 1784} ( segid "HID " and resid 654 and name HD2%) ( segid "HID " and resid 644 and name HD2%) OR { 1784} ( segid "HID " and resid 637 and name HD1%) ( segid "HID " and resid 644 and name HD2%) OR { 1784} ( segid "HID " and resid 691 and name HG2%) ( segid "HID " and resid 644 and name HD2%) ASSI { 1787} (( segid "HID " and resid 710 and name HA )) ( segid "HID " and resid 710 and name HB% ) 2.000 0.500 0.500 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.16669E-01 ppm1 1.626 ppm2 4.161 CV 1 OR { 1787} (( segid "HID " and resid 629 and name HA )) ( segid "HID " and resid 629 and name HB% ) ASSI { 1792} (( segid "HID " and resid 699 and name HA )) (( segid "HID " and resid 702 and name HG1 )) 5.100 3.200 0.900 peak 1792 spectrum 1 weight 0.10000E+01 volume 0.13902E-03 ppm1 2.716 ppm2 3.944 CV 1 OR { 1792} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 702 and name HG1 )) ASSI { 1793} (( segid "HID " and resid 699 and name HA )) (( segid "HID " and resid 702 and name HG2 )) 5.000 3.100 1.000 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.12721E-03 ppm1 2.515 ppm2 3.940 CV 1 OR { 1793} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 702 and name HG2 )) ASSI { 1794} (( segid "HID " and resid 631 and name HB )) ( segid "HID " and resid 628 and name HD2%) 2.500 0.800 0.800 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.51289E-02 ppm1 0.952 ppm2 2.197 CV 1 OR { 1794} (( segid "HID " and resid 704 and name HG1 )) ( segid "HID " and resid 628 and name HD2%) OR { 1794} (( segid "HID " and resid 704 and name HG2 )) ( segid "HID " and resid 628 and name HD2%) ASSI { 1799} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 621 and name HB2 )) 4.000 2.000 2.000 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.17985E-03 ppm1 2.661 ppm2 0.878 CV 1 OR { 1799} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 621 and name HB2 )) ASSI { 4} (( segid "HID " and resid 614 and name HN )) (( segid "HID " and resid 615 and name HN )) 3.400 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.67961E-03 ppm1 8.113 ppm2 8.709 CV 1 OR { 4} (( segid "HID " and resid 697 and name HN )) (( segid "HID " and resid 696 and name HN )) ASSI { 18} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HE21)) 3.800 1.800 1.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.72616E-03 ppm1 7.644 ppm2 0.908 CV 1 OR { 18} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 711 and name HE21)) ASSI { 20} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 711 and name HE21)) 4.800 2.900 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19364E-03 ppm1 7.643 ppm2 2.101 CV 1 OR { 20} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 711 and name HE21)) ASSI { 26} (( segid "HID " and resid 606 and name HD22)) (( segid "HID " and resid 606 and name HD21)) 1.700 0.400 0.500 peak 26 spectrum 1 weight 0.10000E+01 volume 0.21738E-01 ppm1 7.608 ppm2 6.875 CV 1 OR { 26} (( segid "HID " and resid 656 and name HD22)) (( segid "HID " and resid 656 and name HD21)) ASSI { 33} (( segid "HID " and resid 691 and name HG11)) (( segid "HID " and resid 688 and name HD22)) 4.500 2.500 1.500 peak 33 spectrum 1 weight 0.10000E+01 volume 0.38915E-03 ppm1 6.758 ppm2 1.533 CV 1 OR { 33} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 688 and name HD22)) ASSI { 34} (( segid "HID " and resid 687 and name HD1 )) (( segid "HID " and resid 688 and name HD21)) 3.800 1.800 1.800 peak 34 spectrum 1 weight 0.10000E+01 volume 0.69825E-03 ppm1 7.683 ppm2 1.641 CV 1 OR { 34} (( segid "SID " and resid 223 and name HB1 )) (( segid "HID " and resid 688 and name HD21)) OR { 34} (( segid "HID " and resid 687 and name HD2 )) (( segid "HID " and resid 688 and name HD21)) OR { 34} (( segid "SID " and resid 226 and name HB1 )) (( segid "HID " and resid 688 and name HD21)) OR { 34} (( segid "SID " and resid 223 and name HB2 )) (( segid "HID " and resid 688 and name HD21)) ASSI { 35} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 688 and name HD21)) 3.700 1.700 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.93097E-03 ppm1 7.688 ppm2 1.799 CV 1 OR { 35} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 688 and name HD21)) ASSI { 36} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 688 and name HD22)) 3.900 1.900 1.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.98217E-03 ppm1 6.768 ppm2 1.798 CV 1 OR { 36} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 688 and name HD22)) ASSI { 46} (( segid "HID " and resid 667 and name HG2 )) (( segid "HID " and resid 671 and name HE22)) 3.500 1.600 1.600 peak 46 spectrum 1 weight 0.10000E+01 volume 0.60511E-03 ppm1 6.775 ppm2 1.461 CV 1 OR { 46} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 671 and name HE22)) ASSI { 53} (( segid "HID " and resid 656 and name HB1 )) (( segid "HID " and resid 656 and name HD21)) 3.000 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 7.608 ppm2 2.821 CV 1 OR { 53} (( segid "HID " and resid 606 and name HB2 )) (( segid "HID " and resid 606 and name HD21)) OR { 53} (( segid "HID " and resid 606 and name HB1 )) (( segid "HID " and resid 606 and name HD21)) OR { 53} (( segid "HID " and resid 656 and name HB2 )) (( segid "HID " and resid 656 and name HD21)) ASSI { 55} (( segid "HID " and resid 691 and name HG11)) (( segid "HID " and resid 649 and name HE22)) 4.200 2.200 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.23367E-03 ppm1 6.701 ppm2 1.567 CV 1 OR { 55} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 649 and name HE22)) OR { 55} (( segid "HID " and resid 724 and name HD2 )) (( segid "HID " and resid 721 and name HE22)) ASSI { 57} (( segid "HID " and resid 721 and name HG2 )) (( segid "HID " and resid 721 and name HE22)) 4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.84720E-03 ppm1 6.712 ppm2 2.208 CV 1 OR { 57} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HE22)) ASSI { 61} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 649 and name HE22)) 4.600 2.600 1.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.35470E-03 ppm1 6.715 ppm2 4.113 CV 1 OR { 61} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 721 and name HE22)) OR { 61} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 649 and name HE22)) OR { 61} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 649 and name HE22)) ASSI { 62} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 649 and name HE21)) 4.300 2.300 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.35889E-03 ppm1 7.115 ppm2 4.120 CV 1 OR { 62} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 649 and name HE21)) OR { 62} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 649 and name HE21)) ASSI { 65} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 638 and name HE21)) 3.400 1.400 1.400 peak 65 spectrum 1 weight 0.10000E+01 volume 0.49341E-03 ppm1 7.200 ppm2 0.888 CV 1 OR { 65} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 638 and name HE21)) OR { 65} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 638 and name HE21)) ASSI { 88} (( segid "HID " and resid 726 and name HA )) (( segid "HID " and resid 728 and name HN )) 4.000 2.000 2.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.62841E-03 ppm1 8.126 ppm2 4.489 CV 1 OR { 88} (( segid "HID " and resid 655 and name HA )) (( segid "HID " and resid 659 and name HN )) OR { 88} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 659 and name HN )) ASSI { 98} (( segid "HID " and resid 725 and name HB1 )) (( segid "HID " and resid 726 and name HN )) 2.600 0.800 0.800 peak 98 spectrum 1 weight 0.10000E+01 volume 0.47480E-02 ppm1 7.750 ppm2 2.994 CV 1 OR { 98} (( segid "HID " and resid 726 and name HB1 )) (( segid "HID " and resid 726 and name HN )) ASSI { 99} (( segid "HID " and resid 725 and name HB1 )) (( segid "HID " and resid 726 and name HN )) 2.300 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.84254E-02 ppm1 7.750 ppm2 2.913 CV 1 OR { 99} (( segid "HID " and resid 726 and name HB2 )) (( segid "HID " and resid 726 and name HN )) ASSI { 100} (( segid "HID " and resid 619 and name HB2 )) (( segid "HID " and resid 620 and name HN )) 2.400 0.700 0.700 peak 100 spectrum 1 weight 0.10000E+01 volume 0.78202E-02 ppm1 7.816 ppm2 2.027 CV 1 OR { 100} (( segid "HID " and resid 619 and name HB1 )) (( segid "HID " and resid 620 and name HN )) OR { 100} (( segid "HID " and resid 708 and name HG1 )) (( segid "HID " and resid 709 and name HN )) ASSI { 109} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 722 and name HN )) 4.200 2.200 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.25695E-03 ppm1 8.115 ppm2 4.071 CV 1 OR { 109} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 722 and name HN )) ASSI { 113} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 722 and name HN )) 3.500 1.500 1.500 peak 113 spectrum 1 weight 0.10000E+01 volume 0.72150E-03 ppm1 8.108 ppm2 2.009 CV 1 OR { 113} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 722 and name HN )) OR { 113} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 722 and name HN )) ASSI { 114} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HN )) 2.200 0.600 0.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.92165E-02 ppm1 8.168 ppm2 2.021 CV 1 OR { 114} (( segid "HID " and resid 721 and name HB1 )) (( segid "HID " and resid 721 and name HN )) OR { 114} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 721 and name HN )) ASSI { 115} (( segid "HID " and resid 721 and name HG1 )) (( segid "HID " and resid 721 and name HN )) 3.300 1.300 1.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26719E-02 ppm1 8.168 ppm2 2.350 CV 1 OR { 115} (( segid "HID " and resid 720 and name HG1 )) (( segid "HID " and resid 721 and name HN )) ASSI { 117} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 721 and name HN )) 2.800 1.000 1.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.35377E-02 ppm1 8.168 ppm2 4.076 CV 1 OR { 117} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 721 and name HN )) ASSI { 124} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HN )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 7.942 ppm2 4.151 CV 1 OR { 124} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 716 and name HN )) ASSI { 125} (( segid "HID " and resid 715 and name HA )) (( segid "HID " and resid 716 and name HN )) 4.000 2.000 2.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.47945E-03 ppm1 7.947 ppm2 4.630 CV 1 OR { 125} (( segid "HID " and resid 715 and name HA )) (( segid "HID " and resid 714 and name HN )) ASSI { 131} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 715 and name HN )) 3.400 1.500 1.500 peak 131 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 8.296 ppm2 4.141 CV 1 OR { 131} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 715 and name HN )) ASSI { 136} (( segid "HID " and resid 713 and name HA1 )) (( segid "HID " and resid 714 and name HN )) 2.900 1.100 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.18480E-02 ppm1 7.983 ppm2 3.937 CV 1 OR { 136} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 714 and name HN )) ASSI { 139} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 713 and name HN )) 3.500 1.500 1.500 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11172E-02 ppm1 7.926 ppm2 1.884 CV 1 OR { 139} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 713 and name HN )) ASSI { 140} (( segid "HID " and resid 712 and name HG2 )) (( segid "HID " and resid 712 and name HN )) 3.600 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 7.938 ppm2 1.624 CV 1 OR { 140} (( segid "HID " and resid 712 and name HG1 )) (( segid "HID " and resid 712 and name HN )) OR { 140} ( segid "HID " and resid 710 and name HB% ) (( segid "HID " and resid 712 and name HN )) ASSI { 145} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 712 and name HN )) 3.200 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19923E-02 ppm1 7.933 ppm2 3.939 CV 1 OR { 145} (( segid "HID " and resid 713 and name HA1 )) (( segid "HID " and resid 712 and name HN )) ASSI { 146} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HN )) 2.700 0.900 0.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.31653E-02 ppm1 7.934 ppm2 4.142 CV 1 OR { 146} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 712 and name HN )) OR { 146} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 712 and name HN )) ASSI { 148} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 701 and name HN )) 2.200 0.600 0.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.10194E-01 ppm1 8.389 ppm2 3.939 CV 1 OR { 148} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 711 and name HN )) OR { 148} (( segid "HID " and resid 700 and name HA )) (( segid "HID " and resid 701 and name HN )) OR { 148} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 701 and name HN )) OR { 148} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 641 and name HN )) ASSI { 149} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 711 and name HN )) 2.600 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.47480E-02 ppm1 8.385 ppm2 4.132 CV 1 OR { 149} (( segid "HID " and resid 710 and name HA )) (( segid "HID " and resid 711 and name HN )) OR { 149} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 711 and name HN )) ASSI { 152} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 710 and name HN )) 3.800 1.800 1.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 7.961 ppm2 2.350 CV 1 OR { 152} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 710 and name HN )) OR { 152} (( segid "HID " and resid 711 and name HB1 )) (( segid "HID " and resid 710 and name HN )) ASSI { 153} (( segid "HID " and resid 710 and name HA )) (( segid "HID " and resid 710 and name HN )) 2.700 0.900 0.900 peak 153 spectrum 1 weight 0.10000E+01 volume 0.36448E-02 ppm1 7.960 ppm2 4.130 CV 1 OR { 153} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 710 and name HN )) ASSI { 157} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 620 and name HN )) 4.200 2.200 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.45851E-03 ppm1 7.802 ppm2 3.239 CV 1 OR { 157} (( segid "HID " and resid 708 and name HD2 )) (( segid "HID " and resid 709 and name HN )) ASSI { 158} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 620 and name HN )) 2.500 0.800 0.800 peak 158 spectrum 1 weight 0.10000E+01 volume 0.52135E-02 ppm1 7.795 ppm2 4.009 CV 1 OR { 158} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 709 and name HN )) ASSI { 159} (( segid "HID " and resid 709 and name HA )) (( segid "HID " and resid 709 and name HN )) 2.400 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.66563E-02 ppm1 7.791 ppm2 4.148 CV 1 OR { 159} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 709 and name HN )) ASSI { 160} (( segid "HID " and resid 725 and name HA )) (( segid "HID " and resid 726 and name HN )) 2.300 0.700 0.700 peak 160 spectrum 1 weight 0.10000E+01 volume 0.76338E-02 ppm1 7.750 ppm2 4.467 CV 1 OR { 160} (( segid "HID " and resid 726 and name HA )) (( segid "HID " and resid 726 and name HN )) ASSI { 166} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 708 and name HN )) 2.700 0.900 0.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 8.973 ppm2 2.146 CV 1 OR { 166} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 708 and name HN )) ASSI { 169} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 708 and name HN )) 3.200 1.300 1.300 peak 169 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 8.975 ppm2 4.001 CV 1 OR { 169} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 708 and name HN )) ASSI { 174} (( segid "HID " and resid 706 and name HB2 )) (( segid "HID " and resid 707 and name HN )) 3.700 1.700 1.700 peak 174 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 9.227 ppm2 1.920 CV 1 OR { 174} (( segid "HID " and resid 708 and name HB2 )) (( segid "HID " and resid 707 and name HN )) ASSI { 175} (( segid "HID " and resid 706 and name HG2 )) (( segid "HID " and resid 707 and name HN )) 4.200 2.200 1.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.63307E-03 ppm1 9.228 ppm2 2.139 CV 1 OR { 175} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 707 and name HN )) OR { 175} (( segid "HID " and resid 705 and name HB2 )) (( segid "HID " and resid 707 and name HN )) ASSI { 176} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 707 and name HN )) 3.900 1.900 1.900 peak 176 spectrum 1 weight 0.10000E+01 volume 0.48876E-03 ppm1 9.222 ppm2 4.003 CV 1 OR { 176} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 707 and name HN )) ASSI { 179} (( segid "HID " and resid 706 and name HG1 )) (( segid "HID " and resid 706 and name HN )) 3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.17455E-02 ppm1 7.624 ppm2 2.415 CV 1 OR { 179} (( segid "HID " and resid 705 and name HG1 )) (( segid "HID " and resid 706 and name HN )) ASSI { 180} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 617 and name HN )) 2.700 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.28069E-02 ppm1 8.001 ppm2 3.931 CV 1 OR { 180} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 618 and name HN )) ASSI { 184} (( segid "HID " and resid 616 and name HG2 )) (( segid "HID " and resid 617 and name HN )) 4.000 2.000 2.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 8.006 ppm2 2.223 CV 1 OR { 184} (( segid "HID " and resid 723 and name HG2 )) (( segid "HID " and resid 724 and name HN )) OR { 184} (( segid "HID " and resid 723 and name HG1 )) (( segid "HID " and resid 724 and name HN )) OR { 184} (( segid "HID " and resid 616 and name HG1 )) (( segid "HID " and resid 617 and name HN )) ASSI { 186} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 640 and name HN )) 3.200 1.300 1.300 peak 186 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 7.496 ppm2 1.538 CV 1 OR { 186} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 622 and name HN )) ASSI { 187} (( segid "HID " and resid 641 and name HG )) (( segid "HID " and resid 640 and name HN )) 3.500 1.500 1.500 peak 187 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 7.495 ppm2 1.336 CV 1 OR { 187} (( segid "HID " and resid 637 and name HG12)) (( segid "HID " and resid 640 and name HN )) ASSI { 190} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 706 and name HN )) 2.600 0.900 0.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.40032E-02 ppm1 7.627 ppm2 4.017 CV 1 OR { 190} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 706 and name HN )) ASSI { 196} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HN )) 2.900 1.000 1.000 peak 196 spectrum 1 weight 0.10000E+01 volume 0.21971E-02 ppm1 7.316 ppm2 3.993 CV 1 OR { 196} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 705 and name HN )) ASSI { 199} (( segid "HID " and resid 705 and name HG2 )) (( segid "HID " and resid 705 and name HN )) 3.900 1.900 1.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 7.316 ppm2 2.272 CV 1 OR { 199} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 698 and name HN )) ASSI { 202} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 704 and name HN )) 2.900 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.25229E-02 ppm1 7.757 ppm2 3.949 CV 1 OR { 202} (( segid "HID " and resid 700 and name HA )) (( segid "HID " and resid 704 and name HN )) ASSI { 205} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 702 and name HN )) 3.300 1.400 1.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 7.884 ppm2 3.938 CV 1 OR { 205} (( segid "HID " and resid 699 and name HA )) (( segid "HID " and resid 702 and name HN )) OR { 205} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 702 and name HN )) ASSI { 208} ( segid "HID " and resid 700 and name HD2%) (( segid "HID " and resid 700 and name HN )) 3.700 1.700 1.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 8.511 ppm2 0.798 CV 1 OR { 208} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 700 and name HN )) ASSI { 209} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 618 and name HN )) 2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 7.998 ppm2 1.489 CV 1 OR { 209} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 617 and name HN )) ASSI { 210} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 618 and name HN )) 3.100 1.200 1.200 peak 210 spectrum 1 weight 0.10000E+01 volume 0.33329E-02 ppm1 8.004 ppm2 1.331 CV 1 OR { 210} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 617 and name HN )) OR { 210} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 617 and name HN )) OR { 210} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 618 and name HN )) ASSI { 211} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 617 and name HN )) 2.400 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.50272E-02 ppm1 7.998 ppm2 1.568 CV 1 OR { 211} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 724 and name HN )) OR { 211} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 618 and name HN )) ASSI { 212} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 700 and name HN )) 3.500 1.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.20667E-02 ppm1 8.509 ppm2 0.954 CV 1 OR { 212} ( segid "HID " and resid 700 and name HD1%) (( segid "HID " and resid 700 and name HN )) ASSI { 214} (( segid "HID " and resid 700 and name HG )) (( segid "HID " and resid 700 and name HN )) 3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.24112E-02 ppm1 8.511 ppm2 1.995 CV 1 OR { 214} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 700 and name HN )) OR { 214} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 700 and name HN )) ASSI { 216} (( segid "HID " and resid 700 and name HA )) (( segid "HID " and resid 700 and name HN )) 2.900 1.100 1.100 peak 216 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 8.513 ppm2 3.930 CV 1 OR { 216} (( segid "HID " and resid 699 and name HA )) (( segid "HID " and resid 700 and name HN )) OR { 216} (( segid "HID " and resid 697 and name HA )) (( segid "HID " and resid 700 and name HN )) ASSI { 220} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 699 and name HN )) 3.400 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 7.477 ppm2 0.914 CV 1 OR { 220} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 699 and name HN )) ASSI { 221} ( segid "HID " and resid 702 and name HE% ) (( segid "HID " and resid 699 and name HN )) 3.300 1.400 1.400 peak 221 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 7.468 ppm2 2.062 CV 1 OR { 221} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 699 and name HN )) OR { 221} (( segid "HID " and resid 700 and name HG )) (( segid "HID " and resid 699 and name HN )) ASSI { 223} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 699 and name HN )) 3.600 1.600 1.600 peak 223 spectrum 1 weight 0.10000E+01 volume 0.63773E-03 ppm1 7.471 ppm2 3.760 CV 1 OR { 223} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 699 and name HN )) ASSI { 224} (( segid "HID " and resid 699 and name HA )) (( segid "HID " and resid 699 and name HN )) 2.900 1.100 1.100 peak 224 spectrum 1 weight 0.10000E+01 volume 0.20016E-02 ppm1 7.477 ppm2 3.922 CV 1 OR { 224} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 699 and name HN )) ASSI { 225} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 698 and name HN )) 3.900 1.900 1.900 peak 225 spectrum 1 weight 0.10000E+01 volume 0.81924E-03 ppm1 7.370 ppm2 0.894 CV 1 OR { 225} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 698 and name HN )) OR { 225} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 698 and name HN )) ASSI { 227} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 698 and name HN )) 3.300 1.400 1.400 peak 227 spectrum 1 weight 0.10000E+01 volume 0.97751E-03 ppm1 7.371 ppm2 3.764 CV 1 OR { 227} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 698 and name HN )) ASSI { 228} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HN )) 2.600 0.900 0.900 peak 228 spectrum 1 weight 0.10000E+01 volume 0.38496E-02 ppm1 7.368 ppm2 3.948 CV 1 OR { 228} (( segid "HID " and resid 697 and name HA )) (( segid "HID " and resid 698 and name HN )) ASSI { 229} (( segid "HID " and resid 677 and name HG2 )) (( segid "HID " and resid 677 and name HN )) 3.600 1.600 1.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 7.911 ppm2 1.568 CV 1 OR { 229} (( segid "SID " and resid 216 and name HG11)) (( segid "HID " and resid 677 and name HN )) ASSI { 230} (( segid "HID " and resid 677 and name HG1 )) (( segid "HID " and resid 677 and name HN )) 3.000 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.42266E-02 ppm1 7.912 ppm2 1.677 CV 1 OR { 230} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 677 and name HN )) OR { 230} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 677 and name HN )) ASSI { 235} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 697 and name HN )) 3.200 1.300 1.300 peak 235 spectrum 1 weight 0.10000E+01 volume 0.28488E-02 ppm1 8.755 ppm2 0.832 CV 1 OR { 235} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 697 and name HN )) OR { 235} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 697 and name HN )) OR { 235} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 697 and name HN )) ASSI { 236} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 697 and name HN )) 3.600 1.700 1.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.17363E-02 ppm1 8.753 ppm2 0.891 CV 1 OR { 236} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 697 and name HN )) OR { 236} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 697 and name HN )) ASSI { 237} ( segid "HID " and resid 710 and name HB% ) (( segid "HID " and resid 711 and name HN )) 2.400 0.700 0.700 peak 237 spectrum 1 weight 0.10000E+01 volume 0.75872E-02 ppm1 8.392 ppm2 1.574 CV 1 OR { 237} (( segid "HID " and resid 701 and name HD2 )) (( segid "HID " and resid 701 and name HN )) OR { 237} (( segid "HID " and resid 701 and name HD1 )) (( segid "HID " and resid 701 and name HN )) ASSI { 243} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 697 and name HN )) 3.900 1.900 1.900 peak 243 spectrum 1 weight 0.10000E+01 volume 0.37146E-03 ppm1 8.757 ppm2 3.759 CV 1 OR { 243} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 697 and name HN )) ASSI { 245} (( segid "HID " and resid 693 and name HA )) (( segid "HID " and resid 696 and name HN )) 3.600 1.600 1.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.75872E-03 ppm1 8.152 ppm2 3.570 CV 1 OR { 245} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 696 and name HN )) ASSI { 265} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 611 and name HN )) 4.100 2.100 1.900 peak 265 spectrum 1 weight 0.10000E+01 volume 0.97751E-03 ppm1 8.198 ppm2 7.067 CV 1 OR { 265} ( segid "HID " and resid 674 and name HD% ) (( segid "HID " and resid 675 and name HN )) ASSI { 269} (( segid "HID " and resid 611 and name HB2 )) (( segid "HID " and resid 611 and name HN )) 2.400 0.700 0.700 peak 269 spectrum 1 weight 0.10000E+01 volume 0.75412E-02 ppm1 8.197 ppm2 2.890 CV 1 OR { 269} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 675 and name HN )) ASSI { 272} (( segid "HID " and resid 610 and name HG11)) (( segid "HID " and resid 611 and name HN )) 4.000 2.000 2.000 peak 272 spectrum 1 weight 0.10000E+01 volume 0.93563E-03 ppm1 8.197 ppm2 1.265 CV 1 OR { 272} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 675 and name HN )) ASSI { 273} ( segid "SID " and resid 210 and name HD1%) (( segid "HID " and resid 675 and name HN )) 3.500 1.500 1.500 peak 273 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 8.201 ppm2 1.033 CV 1 OR { 273} ( segid "SID " and resid 216 and name HD1%) (( segid "HID " and resid 675 and name HN )) OR { 273} (( segid "HID " and resid 610 and name HG12)) (( segid "HID " and resid 611 and name HN )) ASSI { 281} (( segid "HID " and resid 613 and name HA )) (( segid "HID " and resid 613 and name HN )) 2.600 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.49807E-02 ppm1 8.330 ppm2 4.321 CV 1 OR { 281} (( segid "HID " and resid 612 and name HA )) (( segid "HID " and resid 613 and name HN )) ASSI { 291} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 655 and name HN )) 2.300 0.700 0.700 peak 291 spectrum 1 weight 0.10000E+01 volume 0.76804E-02 ppm1 8.107 ppm2 4.505 CV 1 OR { 291} (( segid "HID " and resid 615 and name HA )) (( segid "HID " and resid 615 and name HN )) OR { 291} (( segid "HID " and resid 655 and name HA )) (( segid "HID " and resid 655 and name HN )) ASSI { 292} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 634 and name HN )) 2.200 0.600 0.600 peak 292 spectrum 1 weight 0.10000E+01 volume 0.11079E-01 ppm1 8.115 ppm2 4.139 CV 1 OR { 292} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HN )) OR { 292} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 615 and name HN )) ASSI { 293} (( segid "HID " and resid 655 and name HB2 )) (( segid "HID " and resid 655 and name HN )) 2.500 0.800 0.800 peak 293 spectrum 1 weight 0.10000E+01 volume 0.60045E-02 ppm1 8.111 ppm2 2.642 CV 1 OR { 293} (( segid "HID " and resid 615 and name HB2 )) (( segid "HID " and resid 615 and name HN )) ASSI { 296} (( segid "HID " and resid 654 and name HB2 )) (( segid "HID " and resid 655 and name HN )) 2.600 0.900 0.900 peak 296 spectrum 1 weight 0.10000E+01 volume 0.80992E-02 ppm1 8.103 ppm2 1.631 CV 1 OR { 296} (( segid "HID " and resid 719 and name HG1 )) (( segid "HID " and resid 720 and name HN )) OR { 296} (( segid "HID " and resid 716 and name HD2 )) (( segid "HID " and resid 720 and name HN )) OR { 296} (( segid "HID " and resid 697 and name HB2 )) (( segid "HID " and resid 696 and name HN )) OR { 296} (( segid "HID " and resid 716 and name HD1 )) (( segid "HID " and resid 720 and name HN )) OR { 296} (( segid "HID " and resid 697 and name HB1 )) (( segid "HID " and resid 696 and name HN )) ASSI { 297} (( segid "HID " and resid 634 and name HG )) (( segid "HID " and resid 634 and name HN )) 2.500 0.800 0.800 peak 297 spectrum 1 weight 0.10000E+01 volume 0.92631E-02 ppm1 8.120 ppm2 1.923 CV 1 OR { 297} (( segid "HID " and resid 614 and name HB2 )) (( segid "HID " and resid 615 and name HN )) OR { 297} (( segid "HID " and resid 616 and name HB2 )) (( segid "HID " and resid 615 and name HN )) OR { 297} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 634 and name HN )) OR { 297} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 634 and name HN )) ASSI { 301} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 616 and name HN )) 4.200 2.200 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.35703E-03 ppm1 8.373 ppm2 2.893 CV 1 OR { 301} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 616 and name HN )) OR { 301} (( segid "HID " and resid 617 and name HD1 )) (( segid "HID " and resid 616 and name HN )) ASSI { 304} (( segid "HID " and resid 618 and name HA )) (( segid "HID " and resid 618 and name HN )) 2.900 1.100 1.100 peak 304 spectrum 1 weight 0.10000E+01 volume 0.20994E-02 ppm1 8.001 ppm2 4.498 CV 1 OR { 304} (( segid "HID " and resid 615 and name HA )) (( segid "HID " and resid 618 and name HN )) ASSI { 306} (( segid "HID " and resid 720 and name HG2 )) (( segid "HID " and resid 720 and name HN )) 2.700 0.900 0.900 peak 306 spectrum 1 weight 0.10000E+01 volume 0.30955E-02 ppm1 8.123 ppm2 2.234 CV 1 OR { 306} (( segid "HID " and resid 614 and name HG2 )) (( segid "HID " and resid 615 and name HN )) OR { 306} (( segid "HID " and resid 614 and name HG1 )) (( segid "HID " and resid 615 and name HN )) ASSI { 308} (( segid "HID " and resid 616 and name HB1 )) (( segid "HID " and resid 617 and name HN )) 2.800 1.000 1.000 peak 308 spectrum 1 weight 0.10000E+01 volume 0.21831E-02 ppm1 8.029 ppm2 1.988 CV 1 OR { 308} (( segid "HID " and resid 723 and name HB1 )) (( segid "HID " and resid 724 and name HN )) OR { 308} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 724 and name HN )) ASSI { 311} (( segid "HID " and resid 617 and name HD2 )) (( segid "HID " and resid 617 and name HN )) 4.000 2.000 2.000 peak 311 spectrum 1 weight 0.10000E+01 volume 0.82856E-03 ppm1 7.996 ppm2 2.911 CV 1 OR { 311} (( segid "HID " and resid 617 and name HD2 )) (( segid "HID " and resid 618 and name HN )) OR { 311} (( segid "HID " and resid 617 and name HD1 )) (( segid "HID " and resid 618 and name HN )) OR { 311} (( segid "HID " and resid 617 and name HD1 )) (( segid "HID " and resid 617 and name HN )) ASSI { 316} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 696 and name HN )) 1.900 0.500 0.500 peak 316 spectrum 1 weight 0.10000E+01 volume 0.20016E-01 ppm1 8.127 ppm2 2.027 CV 1 OR { 316} (( segid "HID " and resid 720 and name HB1 )) (( segid "HID " and resid 720 and name HN )) OR { 316} (( segid "HID " and resid 696 and name HB )) (( segid "HID " and resid 696 and name HN )) OR { 316} (( segid "HID " and resid 720 and name HB2 )) (( segid "HID " and resid 720 and name HN )) OR { 316} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 634 and name HN )) ASSI { 317} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 696 and name HN )) 2.000 0.500 0.500 peak 317 spectrum 1 weight 0.10000E+01 volume 0.12242E-01 ppm1 8.149 ppm2 1.971 CV 1 OR { 317} (( segid "HID " and resid 696 and name HB )) (( segid "HID " and resid 696 and name HN )) ASSI { 322} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 620 and name HN )) 2.300 0.700 0.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.67961E-02 ppm1 7.825 ppm2 1.597 CV 1 OR { 322} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 725 and name HN )) OR { 322} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 725 and name HN )) ASSI { 324} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HN )) 2.900 1.100 1.100 peak 324 spectrum 1 weight 0.10000E+01 volume 0.51204E-02 ppm1 7.813 ppm2 0.915 CV 1 OR { 324} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 620 and name HN )) ASSI { 325} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HN )) 2.900 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.43151E-02 ppm1 7.811 ppm2 0.839 CV 1 OR { 325} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 620 and name HN )) ASSI { 326} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 620 and name HN )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.55393E-02 ppm1 7.813 ppm2 3.936 CV 1 OR { 326} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 620 and name HN )) ASSI { 330} (( segid "HID " and resid 662 and name HA )) (( segid "HID " and resid 664 and name HN )) 3.200 1.300 1.300 peak 330 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 7.792 ppm2 4.488 CV 1 OR { 330} (( segid "HID " and resid 618 and name HA )) (( segid "HID " and resid 621 and name HN )) ASSI { 333} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 621 and name HN )) 3.000 1.100 1.100 peak 333 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 7.792 ppm2 3.938 CV 1 OR { 333} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 621 and name HN )) ASSI { 337} (( segid "HID " and resid 618 and name HB2 )) (( segid "HID " and resid 621 and name HN )) 4.000 2.000 2.000 peak 337 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 7.795 ppm2 3.026 CV 1 OR { 337} (( segid "HID " and resid 666 and name HB2 )) (( segid "HID " and resid 664 and name HN )) ASSI { 338} (( segid "HID " and resid 664 and name HB )) (( segid "HID " and resid 664 and name HN )) 2.300 0.700 0.700 peak 338 spectrum 1 weight 0.10000E+01 volume 0.75412E-02 ppm1 7.820 ppm2 2.050 CV 1 OR { 338} (( segid "HID " and resid 663 and name HB1 )) (( segid "HID " and resid 664 and name HN )) ASSI { 341} ( segid "HID " and resid 679 and name HB% ) (( segid "HID " and resid 679 and name HN )) 2.200 0.600 0.600 peak 341 spectrum 1 weight 0.10000E+01 volume 0.12661E-01 ppm1 7.859 ppm2 1.450 CV 1 OR { 341} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 679 and name HN )) ASSI { 342} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 664 and name HN )) 3.200 1.300 1.300 peak 342 spectrum 1 weight 0.10000E+01 volume 0.39939E-02 ppm1 7.798 ppm2 0.872 CV 1 OR { 342} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 621 and name HN )) ASSI { 352} (( segid "HID " and resid 620 and name HA )) (( segid "HID " and resid 623 and name HN )) 3.000 1.100 1.100 peak 352 spectrum 1 weight 0.10000E+01 volume 0.20482E-02 ppm1 8.182 ppm2 3.946 CV 1 OR { 352} (( segid "HID " and resid 672 and name HA )) (( segid "HID " and resid 675 and name HN )) ASSI { 367} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 624 and name HN )) 3.700 1.700 1.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 8.559 ppm2 0.831 CV 1 OR { 367} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 624 and name HN )) OR { 367} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 624 and name HN )) ASSI { 370} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HN )) 2.400 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.62375E-02 ppm1 8.154 ppm2 4.152 CV 1 OR { 370} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 625 and name HN )) ASSI { 373} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 625 and name HN )) 4.400 2.400 1.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.44593E-03 ppm1 8.157 ppm2 1.291 CV 1 OR { 373} ( segid "HID " and resid 626 and name HG2%) (( segid "HID " and resid 625 and name HN )) ASSI { 374} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HN )) 2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 8.161 ppm2 0.879 CV 1 OR { 374} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 634 and name HN )) OR { 374} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HN )) ASSI { 377} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HN )) 3.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.17735E-02 ppm1 8.396 ppm2 4.141 CV 1 OR { 377} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HN )) OR { 377} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 626 and name HN )) ASSI { 378} (( segid "HID " and resid 623 and name HA )) (( segid "HID " and resid 626 and name HN )) 3.800 1.800 1.800 peak 378 spectrum 1 weight 0.10000E+01 volume 0.74480E-03 ppm1 8.400 ppm2 3.283 CV 1 OR { 378} (( segid "HID " and resid 632 and name HD1 )) (( segid "HID " and resid 632 and name HN )) ASSI { 380} (( segid "HID " and resid 625 and name HB1 )) (( segid "HID " and resid 626 and name HN )) 2.400 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 8.395 ppm2 2.163 CV 1 OR { 380} (( segid "HID " and resid 631 and name HB )) (( segid "HID " and resid 632 and name HN )) OR { 380} (( segid "HID " and resid 625 and name HB2 )) (( segid "HID " and resid 626 and name HN )) ASSI { 381} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 632 and name HN )) 3.300 1.300 1.300 peak 381 spectrum 1 weight 0.10000E+01 volume 0.17502E-02 ppm1 8.404 ppm2 1.620 CV 1 OR { 381} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 626 and name HN )) ASSI { 389} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 627 and name HN )) 3.500 1.500 1.500 peak 389 spectrum 1 weight 0.10000E+01 volume 0.95427E-03 ppm1 8.331 ppm2 4.199 CV 1 OR { 389} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 627 and name HN )) OR { 389} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 627 and name HN )) ASSI { 390} (( segid "HID " and resid 663 and name HA )) (( segid "HID " and resid 663 and name HN )) 3.900 1.900 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.36494E-03 ppm1 8.275 ppm2 4.179 CV 1 OR { 390} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 627 and name HN )) ASSI { 393} (( segid "HID " and resid 692 and name HA )) (( segid "HID " and resid 692 and name HN )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 8.375 ppm2 4.044 CV 1 OR { 393} (( segid "HID " and resid 690 and name HA )) (( segid "HID " and resid 692 and name HN )) ASSI { 394} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 692 and name HN )) 4.000 2.000 2.000 peak 394 spectrum 1 weight 0.10000E+01 volume 0.84720E-03 ppm1 8.374 ppm2 3.575 CV 1 OR { 394} (( segid "HID " and resid 693 and name HA )) (( segid "HID " and resid 692 and name HN )) ASSI { 397} (( segid "HID " and resid 628 and name HG )) (( segid "HID " and resid 628 and name HN )) 3.700 1.800 1.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 8.387 ppm2 1.649 CV 1 OR { 397} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 628 and name HN )) ASSI { 400} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 692 and name HN )) 4.000 2.000 2.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.11730E-02 ppm1 8.379 ppm2 1.024 CV 1 OR { 400} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 628 and name HN )) ASSI { 401} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 692 and name HN )) 2.900 1.100 1.100 peak 401 spectrum 1 weight 0.10000E+01 volume 0.46548E-02 ppm1 8.375 ppm2 0.854 CV 1 OR { 401} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 692 and name HN )) ASSI { 402} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 692 and name HN )) 3.600 1.600 1.600 peak 402 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 8.380 ppm2 0.719 CV 1 OR { 402} (( segid "HID " and resid 631 and name HG12)) (( segid "HID " and resid 628 and name HN )) ASSI { 403} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 629 and name HN )) 2.800 1.000 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.24997E-02 ppm1 8.048 ppm2 4.147 CV 1 OR { 403} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 629 and name HN )) ASSI { 405} (( segid "HID " and resid 718 and name HB2 )) (( segid "HID " and resid 719 and name HN )) 3.800 1.800 1.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.16758E-02 ppm1 8.057 ppm2 3.167 CV 1 OR { 405} (( segid "HID " and resid 719 and name HD2 )) (( segid "HID " and resid 719 and name HN )) ASSI { 410} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 630 and name HN )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 7.649 ppm2 4.139 CV 1 OR { 410} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 630 and name HN )) ASSI { 415} ( segid "HID " and resid 665 and name HD1%) (( segid "HID " and resid 630 and name HN )) 3.600 1.600 1.600 peak 415 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 7.651 ppm2 0.803 CV 1 OR { 415} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 630 and name HN )) OR { 415} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 630 and name HN )) ASSI { 417} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 631 and name HN )) 3.200 1.200 1.200 peak 417 spectrum 1 weight 0.10000E+01 volume 0.15640E-02 ppm1 8.545 ppm2 4.116 CV 1 OR { 417} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 631 and name HN )) ASSI { 421} (( segid "HID " and resid 631 and name HG11)) (( segid "HID " and resid 631 and name HN )) 3.600 1.600 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 8.538 ppm2 1.897 CV 1 OR { 421} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 631 and name HN )) ASSI { 429} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 632 and name HN )) 2.400 0.700 0.700 peak 429 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 8.399 ppm2 4.113 CV 1 OR { 429} (( segid "HID " and resid 629 and name HA )) (( segid "HID " and resid 632 and name HN )) ASSI { 432} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 633 and name HN )) 3.100 1.200 1.200 peak 432 spectrum 1 weight 0.10000E+01 volume 0.21273E-02 ppm1 7.476 ppm2 4.093 CV 1 OR { 432} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 633 and name HN )) ASSI { 433} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 622 and name HN )) 2.900 1.100 1.100 peak 433 spectrum 1 weight 0.10000E+01 volume 0.19038E-02 ppm1 7.495 ppm2 3.710 CV 1 OR { 433} (( segid "HID " and resid 637 and name HA )) (( segid "HID " and resid 640 and name HN )) ASSI { 434} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HN )) 2.500 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.59585E-02 ppm1 7.496 ppm2 3.965 CV 1 OR { 434} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 622 and name HN )) OR { 434} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 640 and name HN )) ASSI { 436} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 640 and name HN )) 2.100 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.12289E-01 ppm1 7.496 ppm2 1.883 CV 1 OR { 436} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 640 and name HN )) OR { 436} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 640 and name HN )) ASSI { 437} (( segid "HID " and resid 640 and name HD2 )) (( segid "HID " and resid 640 and name HN )) 3.300 1.400 1.400 peak 437 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 7.497 ppm2 1.741 CV 1 OR { 437} (( segid "HID " and resid 640 and name HD1 )) (( segid "HID " and resid 640 and name HN )) OR { 437} (( segid "HID " and resid 620 and name HB1 )) (( segid "HID " and resid 622 and name HN )) ASSI { 440} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 634 and name HN )) 2.100 0.500 0.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.15780E-01 ppm1 8.170 ppm2 4.081 CV 1 OR { 440} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 634 and name HN )) ASSI { 441} (( segid "HID " and resid 633 and name HA )) (( segid "HID " and resid 634 and name HN )) 3.000 1.200 1.200 peak 441 spectrum 1 weight 0.10000E+01 volume 0.21040E-02 ppm1 8.174 ppm2 3.924 CV 1 OR { 441} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 634 and name HN )) ASSI { 442} (( segid "HID " and resid 696 and name HA )) (( segid "HID " and resid 696 and name HN )) 2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.26579E-02 ppm1 8.155 ppm2 3.758 CV 1 OR { 442} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 696 and name HN )) ASSI { 443} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 696 and name HN )) 2.000 0.500 0.500 peak 443 spectrum 1 weight 0.10000E+01 volume 0.19411E-01 ppm1 8.176 ppm2 2.059 CV 1 OR { 443} (( segid "HID " and resid 723 and name HB1 )) (( segid "HID " and resid 723 and name HN )) OR { 443} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 625 and name HN )) OR { 443} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 723 and name HN )) OR { 443} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 634 and name HN )) ASSI { 444} (( segid "HID " and resid 634 and name HG )) (( segid "HID " and resid 634 and name HN )) 2.400 2.400 3.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.11125E-01 ppm1 8.173 ppm2 1.892 CV 1 OR { 444} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 634 and name HN )) OR { 444} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 634 and name HN )) OR { 444} (( segid "HID " and resid 694 and name HB2 )) (( segid "HID " and resid 696 and name HN )) ASSI { 446} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 634 and name HN )) 3.700 1.700 1.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 8.161 ppm2 1.234 CV 1 OR { 446} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 696 and name HN )) ASSI { 448} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HN )) 2.500 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.97751E-02 ppm1 8.174 ppm2 0.839 CV 1 OR { 448} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 634 and name HN )) OR { 448} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HN )) OR { 448} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 696 and name HN )) ASSI { 449} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 635 and name HN )) 3.400 1.500 1.500 peak 449 spectrum 1 weight 0.10000E+01 volume 0.88442E-03 ppm1 9.337 ppm2 4.101 CV 1 OR { 449} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 635 and name HN )) ASSI { 457} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 635 and name HN )) 3.300 1.400 1.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.16199E-02 ppm1 9.338 ppm2 0.889 CV 1 OR { 457} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 635 and name HN )) OR { 457} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 635 and name HN )) OR { 457} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 635 and name HN )) ASSI { 458} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 635 and name HN )) 3.300 1.400 1.400 peak 458 spectrum 1 weight 0.10000E+01 volume 0.16990E-02 ppm1 9.337 ppm2 0.820 CV 1 OR { 458} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 635 and name HN )) OR { 458} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 635 and name HN )) OR { 458} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 635 and name HN )) ASSI { 460} (( segid "HID " and resid 632 and name HA )) (( segid "HID " and resid 636 and name HN )) 3.200 1.300 1.300 peak 460 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 7.622 ppm2 4.096 CV 1 OR { 460} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 636 and name HN )) ASSI { 461} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 636 and name HN )) 2.900 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 7.620 ppm2 3.896 CV 1 OR { 461} (( segid "HID " and resid 633 and name HA )) (( segid "HID " and resid 636 and name HN )) ASSI { 466} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 636 and name HN )) 3.600 1.700 1.700 peak 466 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 7.618 ppm2 0.839 CV 1 OR { 466} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 636 and name HN )) OR { 466} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 636 and name HN )) ASSI { 467} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 636 and name HN )) 3.300 1.400 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.93097E-03 ppm1 7.617 ppm2 0.903 CV 1 OR { 467} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 636 and name HN )) ASSI { 471} (( segid "HID " and resid 633 and name HA )) (( segid "HID " and resid 637 and name HN )) 3.900 1.900 1.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.41801E-03 ppm1 7.843 ppm2 3.887 CV 1 OR { 471} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 637 and name HN )) ASSI { 474} (( segid "HID " and resid 709 and name HB1 )) (( segid "HID " and resid 709 and name HN )) 2.000 0.500 0.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.19364E-01 ppm1 7.793 ppm2 2.176 CV 1 OR { 474} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 709 and name HN )) OR { 474} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 709 and name HN )) ASSI { 478} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 637 and name HN )) 3.100 1.200 1.200 peak 478 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 7.842 ppm2 0.866 CV 1 OR { 478} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 637 and name HN )) ASSI { 479} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HN )) 2.700 0.900 0.900 peak 479 spectrum 1 weight 0.10000E+01 volume 0.29745E-02 ppm1 8.667 ppm2 3.920 CV 1 OR { 479} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 638 and name HN )) ASSI { 483} (( segid "HID " and resid 637 and name HG11)) (( segid "HID " and resid 638 and name HN )) 3.500 1.600 1.600 peak 483 spectrum 1 weight 0.10000E+01 volume 0.18852E-02 ppm1 8.668 ppm2 1.882 CV 1 OR { 483} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 638 and name HN )) OR { 483} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 638 and name HN )) OR { 483} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 638 and name HN )) ASSI { 487} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 639 and name HN )) 2.800 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.26858E-02 ppm1 8.005 ppm2 3.976 CV 1 OR { 487} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 639 and name HN )) ASSI { 492} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 639 and name HN )) 4.200 2.200 1.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 8.005 ppm2 1.427 CV 1 OR { 492} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 639 and name HN )) ASSI { 493} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HN )) 2.600 0.800 0.800 peak 493 spectrum 1 weight 0.10000E+01 volume 0.84720E-02 ppm1 8.158 ppm2 0.882 CV 1 OR { 493} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 696 and name HN )) OR { 493} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 634 and name HN )) OR { 493} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HN )) ASSI { 494} (( segid "HID " and resid 643 and name HN )) (( segid "HID " and resid 641 and name HN )) 3.500 1.500 1.500 peak 494 spectrum 1 weight 0.10000E+01 volume 0.35051E-03 ppm1 8.379 ppm2 7.116 CV 1 OR { 494} ( segid "HID " and resid 652 and name HD% ) (( segid "HID " and resid 641 and name HN )) ASSI { 498} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 711 and name HN )) 3.300 1.400 1.400 peak 498 spectrum 1 weight 0.10000E+01 volume 0.27091E-02 ppm1 8.388 ppm2 2.247 CV 1 OR { 498} (( segid "HID " and resid 702 and name HB2 )) (( segid "HID " and resid 701 and name HN )) OR { 498} (( segid "HID " and resid 702 and name HB1 )) (( segid "HID " and resid 701 and name HN )) ASSI { 501} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HN )) 2.200 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.85652E-02 ppm1 8.393 ppm2 1.869 CV 1 OR { 501} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 701 and name HN )) OR { 501} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 641 and name HN )) ASSI { 502} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 641 and name HN )) 2.300 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.88442E-02 ppm1 8.387 ppm2 1.945 CV 1 OR { 502} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 641 and name HN )) OR { 502} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 711 and name HN )) OR { 502} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 641 and name HN )) ASSI { 503} (( segid "HID " and resid 700 and name HB1 )) (( segid "HID " and resid 701 and name HN )) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.70752E-02 ppm1 8.390 ppm2 1.778 CV 1 OR { 503} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 641 and name HN )) ASSI { 504} (( segid "HID " and resid 641 and name HG )) (( segid "HID " and resid 641 and name HN )) 2.300 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.79600E-02 ppm1 8.383 ppm2 1.357 CV 1 OR { 504} (( segid "HID " and resid 701 and name HG2 )) (( segid "HID " and resid 701 and name HN )) ASSI { 506} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HN )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 8.382 ppm2 0.906 CV 1 OR { 506} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 711 and name HN )) ASSI { 508} ( segid "HID " and resid 700 and name HD2%) (( segid "HID " and resid 701 and name HN )) 2.900 2.900 3.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.23135E-02 ppm1 8.423 ppm2 0.802 CV 1 OR { 508} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 701 and name HN )) OR { 508} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 701 and name HN )) ASSI { 511} (( segid "HID " and resid 642 and name HB2 )) (( segid "HID " and resid 642 and name HN )) 2.500 0.800 0.800 peak 511 spectrum 1 weight 0.10000E+01 volume 0.64705E-02 ppm1 7.866 ppm2 3.985 CV 1 OR { 511} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 642 and name HN )) OR { 511} (( segid "HID " and resid 642 and name HB1 )) (( segid "HID " and resid 642 and name HN )) ASSI { 513} (( segid "HID " and resid 640 and name HB1 )) (( segid "HID " and resid 642 and name HN )) 3.700 1.700 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.92631E-03 ppm1 7.869 ppm2 1.878 CV 1 OR { 513} (( segid "HID " and resid 640 and name HB2 )) (( segid "HID " and resid 642 and name HN )) OR { 513} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 642 and name HN )) OR { 513} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 642 and name HN )) ASSI { 522} (( segid "HID " and resid 642 and name HB1 )) (( segid "HID " and resid 643 and name HN )) 3.200 1.300 1.300 peak 522 spectrum 1 weight 0.10000E+01 volume 0.18852E-02 ppm1 7.108 ppm2 3.971 CV 1 OR { 522} (( segid "HID " and resid 642 and name HB2 )) (( segid "HID " and resid 643 and name HN )) OR { 522} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 643 and name HN )) ASSI { 525} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 643 and name HN )) 2.200 0.600 0.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.10380E-01 ppm1 7.108 ppm2 1.763 CV 1 OR { 525} (( segid "HID " and resid 643 and name HG1 )) (( segid "HID " and resid 643 and name HN )) OR { 525} (( segid "HID " and resid 643 and name HB2 )) (( segid "HID " and resid 643 and name HN )) ASSI { 533} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 644 and name HN )) 3.400 1.400 1.400 peak 533 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 7.449 ppm2 1.768 CV 1 OR { 533} (( segid "HID " and resid 643 and name HB2 )) (( segid "HID " and resid 644 and name HN )) OR { 533} (( segid "HID " and resid 643 and name HG1 )) (( segid "HID " and resid 644 and name HN )) ASSI { 550} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 647 and name HN )) 2.400 0.700 0.700 peak 550 spectrum 1 weight 0.10000E+01 volume 0.59119E-02 ppm1 8.795 ppm2 4.079 CV 1 OR { 550} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 645 and name HN )) OR { 550} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 647 and name HN )) ASSI { 551} (( segid "HID " and resid 647 and name HG2 )) (( segid "HID " and resid 647 and name HN )) 2.700 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 8.795 ppm2 2.319 CV 1 OR { 551} (( segid "HID " and resid 647 and name HG1 )) (( segid "HID " and resid 647 and name HN )) OR { 551} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 645 and name HN )) ASSI { 552} (( segid "HID " and resid 648 and name HB2 )) (( segid "HID " and resid 645 and name HN )) 2.300 0.600 0.600 peak 552 spectrum 1 weight 0.10000E+01 volume 0.66097E-02 ppm1 8.793 ppm2 2.089 CV 1 OR { 552} (( segid "HID " and resid 647 and name HB1 )) (( segid "HID " and resid 647 and name HN )) ASSI { 553} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 645 and name HN )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.45478E-02 ppm1 8.794 ppm2 1.950 CV 1 OR { 553} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 647 and name HN )) ASSI { 556} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 648 and name HN )) 2.500 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.43709E-02 ppm1 7.609 ppm2 4.069 CV 1 OR { 556} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 648 and name HN )) ASSI { 560} (( segid "HID " and resid 648 and name HB2 )) (( segid "HID " and resid 648 and name HN )) 2.200 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.67495E-02 ppm1 7.610 ppm2 2.103 CV 1 OR { 560} (( segid "HID " and resid 647 and name HB1 )) (( segid "HID " and resid 648 and name HN )) ASSI { 561} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 648 and name HN )) 2.800 1.000 1.000 peak 561 spectrum 1 weight 0.10000E+01 volume 0.25788E-02 ppm1 7.608 ppm2 1.950 CV 1 OR { 561} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 648 and name HN )) ASSI { 562} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 648 and name HN )) 3.400 1.400 1.400 peak 562 spectrum 1 weight 0.10000E+01 volume 0.23833E-02 ppm1 7.609 ppm2 1.564 CV 1 OR { 562} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 648 and name HN )) ASSI { 566} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 649 and name HN )) 3.200 1.300 1.300 peak 566 spectrum 1 weight 0.10000E+01 volume 0.13779E-02 ppm1 9.032 ppm2 4.067 CV 1 OR { 566} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 649 and name HN )) ASSI { 573} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 649 and name HN )) 3.000 1.100 1.100 peak 573 spectrum 1 weight 0.10000E+01 volume 0.25462E-02 ppm1 9.033 ppm2 1.961 CV 1 OR { 573} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 649 and name HN )) ASSI { 580} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 650 and name HN )) 3.100 1.200 1.200 peak 580 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 7.489 ppm2 4.074 CV 1 OR { 580} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 650 and name HN )) ASSI { 597} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 651 and name HN )) 2.400 0.700 0.700 peak 597 spectrum 1 weight 0.10000E+01 volume 0.97751E-02 ppm1 7.136 ppm2 1.555 CV 1 OR { 597} (( segid "HID " and resid 651 and name HG2 )) (( segid "HID " and resid 651 and name HN )) ASSI { 602} (( segid "HID " and resid 652 and name HB2 )) (( segid "HID " and resid 652 and name HN )) 2.800 1.000 1.000 peak 602 spectrum 1 weight 0.10000E+01 volume 0.37658E-02 ppm1 7.392 ppm2 2.997 CV 1 OR { 602} (( segid "HID " and resid 651 and name HE1 )) (( segid "HID " and resid 652 and name HN )) ASSI { 606} (( segid "HID " and resid 651 and name HG2 )) (( segid "HID " and resid 652 and name HN )) 3.800 1.800 1.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.69825E-03 ppm1 7.395 ppm2 1.546 CV 1 OR { 606} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 652 and name HN )) ASSI { 619} (( segid "HID " and resid 653 and name HA )) (( segid "HID " and resid 654 and name HN )) 2.500 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.40311E-02 ppm1 8.531 ppm2 4.550 CV 1 OR { 619} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 654 and name HN )) ASSI { 621} (( segid "HID " and resid 654 and name HG )) (( segid "HID " and resid 654 and name HN )) 3.000 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.23554E-02 ppm1 8.533 ppm2 1.828 CV 1 OR { 621} (( segid "HID " and resid 653 and name HB1 )) (( segid "HID " and resid 654 and name HN )) ASSI { 623} (( segid "HID " and resid 653 and name HB2 )) (( segid "HID " and resid 654 and name HN )) 2.600 0.800 0.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.28581E-02 ppm1 8.528 ppm2 1.621 CV 1 OR { 623} (( segid "HID " and resid 654 and name HB2 )) (( segid "HID " and resid 654 and name HN )) ASSI { 625} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 634 and name HN )) 2.200 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.11125E-01 ppm1 8.127 ppm2 4.076 CV 1 OR { 625} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 720 and name HN )) OR { 625} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 720 and name HN )) OR { 625} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 634 and name HN )) ASSI { 627} (( segid "HID " and resid 658 and name HA )) (( segid "HID " and resid 658 and name HN )) 2.500 0.800 0.800 peak 627 spectrum 1 weight 0.10000E+01 volume 0.45432E-02 ppm1 8.296 ppm2 4.103 CV 1 OR { 627} (( segid "HID " and resid 657 and name HB )) (( segid "HID " and resid 658 and name HN )) ASSI { 629} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 658 and name HN )) 3.400 1.500 1.500 peak 629 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 8.293 ppm2 0.860 CV 1 OR { 629} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 658 and name HN )) ASSI { 632} (( segid "HID " and resid 658 and name HB1 )) (( segid "HID " and resid 658 and name HN )) 3.200 1.300 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.16013E-02 ppm1 8.293 ppm2 1.717 CV 1 OR { 632} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 613 and name HN )) ASSI { 637} (( segid "HID " and resid 727 and name HB1 )) (( segid "HID " and resid 728 and name HN )) 3.400 1.500 1.500 peak 637 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 8.123 ppm2 1.556 CV 1 OR { 637} (( segid "HID " and resid 727 and name HB2 )) (( segid "HID " and resid 728 and name HN )) OR { 637} (( segid "HID " and resid 658 and name HB2 )) (( segid "HID " and resid 659 and name HN )) ASSI { 638} (( segid "HID " and resid 728 and name HB2 )) (( segid "HID " and resid 728 and name HN )) 3.000 1.100 1.100 peak 638 spectrum 1 weight 0.10000E+01 volume 0.19364E-02 ppm1 8.123 ppm2 1.739 CV 1 OR { 638} (( segid "HID " and resid 658 and name HB1 )) (( segid "HID " and resid 659 and name HN )) ASSI { 650} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 665 and name HN )) 2.800 1.000 1.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.24903E-02 ppm1 7.505 ppm2 3.728 CV 1 OR { 650} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 665 and name HN )) ASSI { 658} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 668 and name HN )) 3.600 1.600 1.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.15315E-02 ppm1 8.129 ppm2 1.607 CV 1 OR { 658} (( segid "HID " and resid 668 and name HG1 )) (( segid "HID " and resid 668 and name HN )) OR { 658} (( segid "HID " and resid 668 and name HD1 )) (( segid "HID " and resid 668 and name HN )) OR { 658} (( segid "HID " and resid 668 and name HD2 )) (( segid "HID " and resid 668 and name HN )) ASSI { 659} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 668 and name HN )) 2.600 0.900 0.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.29279E-02 ppm1 8.118 ppm2 1.960 CV 1 OR { 659} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HN )) ASSI { 661} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HN )) 3.000 1.200 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 8.122 ppm2 4.061 CV 1 OR { 661} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 721 and name HN )) ASSI { 664} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 669 and name HN )) 4.500 2.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.35470E-03 ppm1 8.064 ppm2 2.067 CV 1 OR { 664} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 669 and name HN )) OR { 664} (( segid "HID " and resid 670 and name HB1 )) (( segid "HID " and resid 669 and name HN )) OR { 664} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 669 and name HN )) ASSI { 674} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 671 and name HN )) 2.300 0.700 0.700 peak 674 spectrum 1 weight 0.10000E+01 volume 0.58651E-02 ppm1 9.006 ppm2 2.067 CV 1 OR { 674} (( segid "HID " and resid 670 and name HB1 )) (( segid "HID " and resid 671 and name HN )) ASSI { 675} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 671 and name HN )) 4.300 2.300 1.700 peak 675 spectrum 1 weight 0.10000E+01 volume 0.40544E-03 ppm1 9.012 ppm2 1.667 CV 1 OR { 675} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 671 and name HN )) OR { 675} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 671 and name HN )) ASSI { 676} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 671 and name HN )) 3.000 1.100 1.100 peak 676 spectrum 1 weight 0.10000E+01 volume 0.28069E-02 ppm1 9.007 ppm2 1.424 CV 1 OR { 676} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 671 and name HN )) ASSI { 678} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 671 and name HN )) 3.800 1.800 1.800 peak 678 spectrum 1 weight 0.10000E+01 volume 0.61443E-03 ppm1 9.002 ppm2 0.830 CV 1 OR { 678} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 671 and name HN )) ASSI { 679} (( segid "HID " and resid 669 and name HA )) (( segid "HID " and resid 672 and name HN )) 3.100 1.200 1.200 peak 679 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 7.728 ppm2 4.129 CV 1 OR { 679} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 672 and name HN )) ASSI { 680} (( segid "HID " and resid 672 and name HA )) (( segid "HID " and resid 672 and name HN )) 2.700 0.900 0.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.36820E-02 ppm1 7.735 ppm2 3.968 CV 1 OR { 680} (( segid "HID " and resid 701 and name HA )) (( segid "HID " and resid 704 and name HN )) ASSI { 681} (( segid "HID " and resid 671 and name HB1 )) (( segid "HID " and resid 672 and name HN )) 3.100 1.200 1.200 peak 681 spectrum 1 weight 0.10000E+01 volume 0.41056E-02 ppm1 7.736 ppm2 2.211 CV 1 OR { 681} (( segid "HID " and resid 704 and name HG2 )) (( segid "HID " and resid 704 and name HN )) OR { 681} (( segid "HID " and resid 704 and name HG1 )) (( segid "HID " and resid 704 and name HN )) ASSI { 682} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 672 and name HN )) 2.200 0.600 0.600 peak 682 spectrum 1 weight 0.10000E+01 volume 0.91233E-02 ppm1 7.734 ppm2 2.055 CV 1 OR { 682} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 672 and name HN )) OR { 682} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 672 and name HN )) ASSI { 684} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 672 and name HN )) 3.300 1.400 1.400 peak 684 spectrum 1 weight 0.10000E+01 volume 0.20109E-02 ppm1 7.735 ppm2 1.644 CV 1 OR { 684} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 672 and name HN )) OR { 684} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 672 and name HN )) ASSI { 692} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 673 and name HN )) 3.300 1.400 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 6.554 ppm2 1.665 CV 1 OR { 692} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 673 and name HN )) OR { 692} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 673 and name HN )) OR { 692} (( segid "SID " and resid 211 and name HG )) (( segid "HID " and resid 673 and name HN )) ASSI { 696} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 673 and name HN )) 3.600 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.90307E-03 ppm1 6.560 ppm2 0.939 CV 1 OR { 696} ( segid "SID " and resid 210 and name HD2%) (( segid "HID " and resid 673 and name HN )) ASSI { 697} ( segid "SID " and resid 211 and name HD1%) (( segid "HID " and resid 673 and name HN )) 4.300 2.300 1.700 peak 697 spectrum 1 weight 0.10000E+01 volume 0.41987E-03 ppm1 6.556 ppm2 0.834 CV 1 OR { 697} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 673 and name HN )) ASSI { 707} ( segid "SID " and resid 210 and name HD2%) (( segid "HID " and resid 674 and name HN )) 3.500 1.500 1.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.11637E-02 ppm1 8.331 ppm2 0.940 CV 1 OR { 707} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 674 and name HN )) ASSI { 708} ( segid "SID " and resid 211 and name HD1%) (( segid "HID " and resid 674 and name HN )) 3.300 1.300 1.300 peak 708 spectrum 1 weight 0.10000E+01 volume 0.16525E-02 ppm1 8.330 ppm2 0.834 CV 1 OR { 708} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 674 and name HN )) ASSI { 715} (( segid "HID " and resid 671 and name HB2 )) (( segid "HID " and resid 675 and name HN )) 3.500 1.600 1.600 peak 715 spectrum 1 weight 0.10000E+01 volume 0.18526E-02 ppm1 8.223 ppm2 2.070 CV 1 OR { 715} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 675 and name HN )) OR { 715} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 675 and name HN )) ASSI { 717} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 675 and name HN )) 3.300 1.300 1.300 peak 717 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 8.231 ppm2 1.424 CV 1 OR { 717} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 675 and name HN )) ASSI { 718} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 695 and name HN )) 2.300 0.700 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 6.518 ppm2 1.992 CV 1 OR { 718} (( segid "HID " and resid 694 and name HG2 )) (( segid "HID " and resid 695 and name HN )) ASSI { 722} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 682 and name HN )) 3.000 1.200 1.200 peak 722 spectrum 1 weight 0.10000E+01 volume 0.14058E-02 ppm1 8.628 ppm2 3.502 CV 1 OR { 722} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 682 and name HN )) ASSI { 725} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 682 and name HN )) 2.600 0.800 0.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.31141E-02 ppm1 8.630 ppm2 1.829 CV 1 OR { 725} (( segid "HID " and resid 682 and name HB )) (( segid "HID " and resid 682 and name HN )) ASSI { 726} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 682 and name HN )) 3.900 1.900 1.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.57720E-03 ppm1 8.632 ppm2 1.422 CV 1 OR { 726} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 676 and name HN )) OR { 726} ( segid "HID " and resid 679 and name HB% ) (( segid "HID " and resid 682 and name HN )) OR { 726} (( segid "HID " and resid 640 and name HG1 )) (( segid "HID " and resid 638 and name HN )) OR { 726} (( segid "HID " and resid 634 and name HB2 )) (( segid "HID " and resid 638 and name HN )) OR { 726} (( segid "HID " and resid 639 and name HG2 )) (( segid "HID " and resid 638 and name HN )) ASSI { 727} (( segid "HID " and resid 677 and name HA )) (( segid "HID " and resid 677 and name HN )) 2.900 1.100 1.100 peak 727 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 7.913 ppm2 4.693 CV 1 OR { 727} (( segid "HID " and resid 674 and name HA )) (( segid "HID " and resid 677 and name HN )) ASSI { 733} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 677 and name HN )) 4.000 2.000 2.000 peak 733 spectrum 1 weight 0.10000E+01 volume 0.68893E-03 ppm1 7.914 ppm2 0.900 CV 1 OR { 733} ( segid "SID " and resid 210 and name HD2%) (( segid "HID " and resid 677 and name HN )) ASSI { 736} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 718 and name HN )) 3.200 1.300 1.300 peak 736 spectrum 1 weight 0.10000E+01 volume 0.24810E-02 ppm1 8.196 ppm2 4.141 CV 1 OR { 736} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 678 and name HN )) ASSI { 737} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 718 and name HN )) 2.600 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.51669E-02 ppm1 8.195 ppm2 3.963 CV 1 OR { 737} (( segid "HID " and resid 679 and name HA )) (( segid "HID " and resid 678 and name HN )) ASSI { 741} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 678 and name HN )) 3.000 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.26905E-02 ppm1 8.206 ppm2 2.857 CV 1 OR { 741} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 718 and name HN )) OR { 741} (( segid "HID " and resid 676 and name HB1 )) (( segid "HID " and resid 678 and name HN )) OR { 741} (( segid "HID " and resid 676 and name HB2 )) (( segid "HID " and resid 678 and name HN )) ASSI { 744} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 718 and name HN )) 3.600 1.600 1.600 peak 744 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 8.205 ppm2 1.761 CV 1 OR { 744} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 718 and name HN )) OR { 744} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 678 and name HN )) ASSI { 745} (( segid "HID " and resid 677 and name HD2 )) (( segid "HID " and resid 678 and name HN )) 3.100 1.200 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.41615E-02 ppm1 8.208 ppm2 1.686 CV 1 OR { 745} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 678 and name HN )) OR { 745} (( segid "HID " and resid 677 and name HG1 )) (( segid "HID " and resid 678 and name HN )) OR { 745} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 678 and name HN )) ASSI { 755} (( segid "HID " and resid 678 and name HA )) (( segid "HID " and resid 680 and name HN )) 3.900 1.900 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.61909E-03 ppm1 7.571 ppm2 3.478 CV 1 OR { 755} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 680 and name HN )) ASSI { 760} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 680 and name HN )) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 7.577 ppm2 1.766 CV 1 OR { 760} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 680 and name HN )) ASSI { 767} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 681 and name HN )) 3.000 1.100 1.100 peak 767 spectrum 1 weight 0.10000E+01 volume 0.16059E-02 ppm1 7.406 ppm2 3.477 CV 1 OR { 767} (( segid "HID " and resid 678 and name HA )) (( segid "HID " and resid 681 and name HN )) ASSI { 770} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 681 and name HN )) 4.400 2.400 1.600 peak 770 spectrum 1 weight 0.10000E+01 volume 0.45664E-03 ppm1 7.400 ppm2 1.438 CV 1 OR { 770} ( segid "HID " and resid 679 and name HB% ) (( segid "HID " and resid 681 and name HN )) ASSI { 772} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 681 and name HN )) 3.800 1.800 1.800 peak 772 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 7.402 ppm2 0.836 CV 1 OR { 772} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 681 and name HN )) OR { 772} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 681 and name HN )) ASSI { 775} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 682 and name HN )) 2.300 0.700 0.700 peak 775 spectrum 1 weight 0.10000E+01 volume 0.62841E-02 ppm1 8.627 ppm2 1.755 CV 1 OR { 775} (( segid "HID " and resid 682 and name HG11)) (( segid "HID " and resid 682 and name HN )) ASSI { 776} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 695 and name HN )) 4.200 2.200 1.800 peak 776 spectrum 1 weight 0.10000E+01 volume 0.11404E-02 ppm1 6.515 ppm2 1.239 CV 1 OR { 776} ( segid "SID " and resid 222 and name HG2%) (( segid "HID " and resid 695 and name HN )) ASSI { 777} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 695 and name HN )) 3.900 1.900 1.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.96353E-03 ppm1 6.515 ppm2 1.028 CV 1 OR { 777} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 695 and name HN )) ASSI { 779} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 717 and name HN )) 2.700 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 7.766 ppm2 4.153 CV 1 OR { 779} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 717 and name HN )) ASSI { 780} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 717 and name HN )) 2.500 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.53531E-02 ppm1 7.766 ppm2 3.964 CV 1 OR { 780} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 683 and name HN )) ASSI { 783} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 717 and name HN )) 2.200 0.600 0.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.79600E-02 ppm1 7.765 ppm2 1.866 CV 1 OR { 783} (( segid "HID " and resid 682 and name HB )) (( segid "HID " and resid 683 and name HN )) OR { 783} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 717 and name HN )) ASSI { 784} (( segid "HID " and resid 716 and name HD1 )) (( segid "HID " and resid 717 and name HN )) 3.300 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 7.760 ppm2 1.673 CV 1 OR { 784} (( segid "HID " and resid 716 and name HD2 )) (( segid "HID " and resid 717 and name HN )) OR { 784} (( segid "HID " and resid 712 and name HG1 )) (( segid "HID " and resid 717 and name HN )) ASSI { 790} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 683 and name HN )) 3.200 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.16897E-02 ppm1 7.756 ppm2 3.492 CV 1 OR { 790} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 683 and name HN )) OR { 790} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 683 and name HN )) ASSI { 800} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 685 and name HN )) 4.400 2.400 1.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.26346E-03 ppm1 8.468 ppm2 4.392 CV 1 OR { 800} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 685 and name HN )) ASSI { 805} (( segid "HID " and resid 686 and name HB1 )) (( segid "HID " and resid 685 and name HN )) 4.000 2.000 2.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 8.466 ppm2 1.872 CV 1 OR { 805} (( segid "HID " and resid 682 and name HB )) (( segid "HID " and resid 685 and name HN )) OR { 805} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 685 and name HN )) OR { 805} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 685 and name HN )) ASSI { 808} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 685 and name HN )) 3.600 1.700 1.700 peak 808 spectrum 1 weight 0.10000E+01 volume 0.53996E-03 ppm1 8.462 ppm2 1.029 CV 1 OR { 808} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 685 and name HN )) OR { 808} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 685 and name HN )) ASSI { 816} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 686 and name HN )) 3.800 1.800 1.800 peak 816 spectrum 1 weight 0.10000E+01 volume 0.53531E-03 ppm1 7.765 ppm2 3.495 CV 1 OR { 816} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 686 and name HN )) ASSI { 820} (( segid "HID " and resid 686 and name HG1 )) (( segid "HID " and resid 686 and name HN )) 3.000 1.100 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 7.762 ppm2 1.616 CV 1 OR { 820} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 686 and name HN )) ASSI { 823} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 686 and name HN )) 3.400 1.400 1.400 peak 823 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 7.762 ppm2 0.890 CV 1 OR { 823} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HN )) OR { 823} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 686 and name HN )) ASSI { 824} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 686 and name HN )) 3.100 1.200 1.200 peak 824 spectrum 1 weight 0.10000E+01 volume 0.10613E-02 ppm1 7.761 ppm2 0.824 CV 1 OR { 824} ( segid "SID " and resid 223 and name HD2%) (( segid "HID " and resid 686 and name HN )) OR { 824} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 686 and name HN )) OR { 824} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 686 and name HN )) OR { 824} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 686 and name HN )) OR { 824} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 686 and name HN )) ASSI { 827} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 687 and name HN )) 3.800 1.800 1.800 peak 827 spectrum 1 weight 0.10000E+01 volume 0.56789E-03 ppm1 8.070 ppm2 3.979 CV 1 OR { 827} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 687 and name HN )) ASSI { 831} (( segid "HID " and resid 686 and name HG1 )) (( segid "HID " and resid 687 and name HN )) 3.700 1.700 1.700 peak 831 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 8.068 ppm2 1.650 CV 1 OR { 831} (( segid "HID " and resid 687 and name HD2 )) (( segid "HID " and resid 687 and name HN )) OR { 831} (( segid "HID " and resid 687 and name HD1 )) (( segid "HID " and resid 687 and name HN )) OR { 831} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 687 and name HN )) OR { 831} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 687 and name HN )) ASSI { 834} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 688 and name HN )) 3.700 1.700 1.700 peak 834 spectrum 1 weight 0.10000E+01 volume 0.50738E-03 ppm1 8.441 ppm2 4.392 CV 1 OR { 834} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 688 and name HN )) ASSI { 836} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 688 and name HN )) 2.800 1.000 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.439 ppm2 3.935 CV 1 OR { 836} (( segid "HID " and resid 689 and name HD1 )) (( segid "HID " and resid 688 and name HN )) ASSI { 844} (( segid "HID " and resid 687 and name HD1 )) (( segid "HID " and resid 688 and name HN )) 3.700 1.700 1.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.13406E-02 ppm1 8.437 ppm2 1.642 CV 1 OR { 844} (( segid "HID " and resid 687 and name HD2 )) (( segid "HID " and resid 688 and name HN )) OR { 844} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 688 and name HN )) ASSI { 846} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 688 and name HN )) 3.300 1.400 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.12801E-02 ppm1 8.433 ppm2 0.845 CV 1 OR { 846} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 688 and name HN )) OR { 846} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 688 and name HN )) OR { 846} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 688 and name HN )) OR { 846} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 688 and name HN )) ASSI { 849} (( segid "HID " and resid 689 and name HB2 )) (( segid "HID " and resid 693 and name HN )) 4.500 2.600 1.500 peak 849 spectrum 1 weight 0.10000E+01 volume 0.40265E-03 ppm1 9.087 ppm2 1.793 CV 1 OR { 849} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 693 and name HN )) ASSI { 850} (( segid "HID " and resid 694 and name HG1 )) (( segid "HID " and resid 693 and name HN )) 5.200 3.400 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.29977E-03 ppm1 9.092 ppm2 2.164 CV 1 OR { 850} (( segid "HID " and resid 689 and name HG1 )) (( segid "HID " and resid 693 and name HN )) ASSI { 851} (( segid "HID " and resid 689 and name HD1 )) (( segid "HID " and resid 690 and name HN )) 2.700 0.900 0.900 peak 851 spectrum 1 weight 0.10000E+01 volume 0.40078E-02 ppm1 8.734 ppm2 3.931 CV 1 OR { 851} (( segid "HID " and resid 690 and name HB1 )) (( segid "HID " and resid 690 and name HN )) ASSI { 862} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 690 and name HN )) 3.400 1.500 1.500 peak 862 spectrum 1 weight 0.10000E+01 volume 0.73548E-03 ppm1 8.735 ppm2 0.860 CV 1 OR { 862} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 690 and name HN )) OR { 862} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 690 and name HN )) OR { 862} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 690 and name HN )) ASSI { 864} (( segid "HID " and resid 690 and name HA )) (( segid "HID " and resid 691 and name HN )) 3.100 1.200 1.200 peak 864 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 6.972 ppm2 4.045 CV 1 OR { 864} (( segid "HID " and resid 692 and name HA )) (( segid "HID " and resid 691 and name HN )) ASSI { 865} (( segid "HID " and resid 690 and name HB1 )) (( segid "HID " and resid 691 and name HN )) 3.600 1.600 1.600 peak 865 spectrum 1 weight 0.10000E+01 volume 0.87976E-03 ppm1 6.972 ppm2 3.926 CV 1 OR { 865} (( segid "HID " and resid 689 and name HD1 )) (( segid "HID " and resid 691 and name HN )) ASSI { 872} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 691 and name HN )) 3.100 1.200 1.200 peak 872 spectrum 1 weight 0.10000E+01 volume 0.38030E-02 ppm1 6.974 ppm2 0.851 CV 1 OR { 872} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 691 and name HN )) OR { 872} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 691 and name HN )) ASSI { 873} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 692 and name HN )) 3.000 1.100 1.100 peak 873 spectrum 1 weight 0.10000E+01 volume 0.23879E-02 ppm1 8.374 ppm2 4.208 CV 1 OR { 873} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 628 and name HN )) ASSI { 874} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 628 and name HN )) 2.600 0.800 0.800 peak 874 spectrum 1 weight 0.10000E+01 volume 0.38589E-02 ppm1 8.387 ppm2 4.137 CV 1 OR { 874} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 628 and name HN )) ASSI { 875} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 693 and name HN )) 2.500 0.800 0.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.51204E-02 ppm1 9.093 ppm2 3.566 CV 1 OR { 875} (( segid "HID " and resid 693 and name HA )) (( segid "HID " and resid 693 and name HN )) ASSI { 876} (( segid "HID " and resid 692 and name HA )) (( segid "HID " and resid 693 and name HN )) 3.800 1.800 1.800 peak 876 spectrum 1 weight 0.10000E+01 volume 0.52135E-03 ppm1 9.097 ppm2 4.039 CV 1 OR { 876} (( segid "HID " and resid 690 and name HA )) (( segid "HID " and resid 693 and name HN )) ASSI { 880} (( segid "HID " and resid 694 and name HG2 )) (( segid "HID " and resid 693 and name HN )) 4.000 2.000 2.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 9.091 ppm2 1.998 CV 1 OR { 880} (( segid "HID " and resid 689 and name HG2 )) (( segid "HID " and resid 693 and name HN )) ASSI { 887} ( segid "SID " and resid 211 and name HD1%) (( segid "HID " and resid 675 and name HN )) 2.900 2.900 3.100 peak 887 spectrum 1 weight 0.10000E+01 volume 0.33701E-02 ppm1 8.229 ppm2 0.845 CV 1 OR { 887} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 675 and name HN )) ASSI { 890} (( segid "HID " and resid 609 and name HN )) (( segid "HID " and resid 610 and name HN )) 4.000 2.000 2.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.64705E-03 ppm1 7.857 ppm2 8.210 CV 1 OR { 890} (( segid "HID " and resid 611 and name HN )) (( segid "HID " and resid 610 and name HN )) ASSI { 891} (( segid "HID " and resid 610 and name HN )) (( segid "HID " and resid 611 and name HN )) 3.500 1.500 1.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.17130E-02 ppm1 8.198 ppm2 7.866 CV 1 OR { 891} (( segid "HID " and resid 677 and name HN )) (( segid "HID " and resid 675 and name HN )) ASSI { 894} (( segid "HID " and resid 616 and name HN )) (( segid "HID " and resid 615 and name HN )) 2.600 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.112 ppm2 8.387 CV 1 OR { 894} (( segid "HID " and resid 626 and name HN )) (( segid "HID " and resid 625 and name HN )) ASSI { 905} (( segid "HID " and resid 622 and name HN )) (( segid "HID " and resid 621 and name HN )) 2.400 0.700 0.700 peak 905 spectrum 1 weight 0.10000E+01 volume 0.54462E-02 ppm1 7.795 ppm2 7.511 CV 1 OR { 905} (( segid "HID " and resid 665 and name HN )) (( segid "HID " and resid 664 and name HN )) ASSI { 906} (( segid "HID " and resid 623 and name HN )) (( segid "HID " and resid 621 and name HN )) 3.400 1.400 1.400 peak 906 spectrum 1 weight 0.10000E+01 volume 0.16339E-02 ppm1 7.791 ppm2 8.165 CV 1 OR { 906} (( segid "HID " and resid 662 and name HN )) (( segid "HID " and resid 664 and name HN )) ASSI { 911} (( segid "HID " and resid 623 and name HN )) (( segid "HID " and resid 624 and name HN )) 2.400 0.700 0.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.44314E-02 ppm1 8.553 ppm2 8.164 CV 1 OR { 911} (( segid "HID " and resid 625 and name HN )) (( segid "HID " and resid 624 and name HN )) ASSI { 917} (( segid "HID " and resid 632 and name HN )) (( segid "HID " and resid 630 and name HN )) 3.900 1.900 1.900 peak 917 spectrum 1 weight 0.10000E+01 volume 0.48411E-03 ppm1 7.654 ppm2 8.400 CV 1 OR { 917} (( segid "HID " and resid 628 and name HN )) (( segid "HID " and resid 630 and name HN )) ASSI { 929} (( segid "HID " and resid 641 and name HN )) (( segid "HID " and resid 640 and name HN )) 3.000 1.100 1.100 peak 929 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 7.471 ppm2 8.413 CV 1 OR { 929} (( segid "HID " and resid 632 and name HN )) (( segid "HID " and resid 633 and name HN )) ASSI { 945} (( segid "HID " and resid 639 and name HD1 )) (( segid "HID " and resid 639 and name HN )) 3.800 1.800 1.800 peak 945 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 8.000 ppm2 1.651 CV 1 OR { 945} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 639 and name HN )) ASSI { 954} (( segid "HID " and resid 712 and name HN )) (( segid "HID " and resid 711 and name HN )) 2.300 0.600 0.600 peak 954 spectrum 1 weight 0.10000E+01 volume 0.76338E-02 ppm1 8.377 ppm2 7.891 CV 1 OR { 954} (( segid "HID " and resid 642 and name HN )) (( segid "HID " and resid 641 and name HN )) ASSI { 964} (( segid "HID " and resid 649 and name HN )) (( segid "HID " and resid 645 and name HN )) 3.400 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 8.833 ppm2 9.047 CV 1 OR { 964} (( segid "HID " and resid 646 and name HN )) (( segid "HID " and resid 645 and name HN )) ASSI { 967} (( segid "HID " and resid 646 and name HN )) (( segid "HID " and resid 647 and name HN )) 3.000 1.200 1.200 peak 967 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 8.792 ppm2 9.039 CV 1 OR { 967} (( segid "HID " and resid 649 and name HN )) (( segid "HID " and resid 647 and name HN )) ASSI { 968} (( segid "HID " and resid 648 and name HN )) (( segid "HID " and resid 647 and name HN )) 2.700 0.900 0.900 peak 968 spectrum 1 weight 0.10000E+01 volume 0.29139E-02 ppm1 8.794 ppm2 7.617 CV 1 OR { 968} (( segid "HID " and resid 648 and name HN )) (( segid "HID " and resid 645 and name HN )) ASSI { 972} (( segid "HID " and resid 647 and name HN )) (( segid "HID " and resid 649 and name HN )) 3.700 1.700 1.700 peak 972 spectrum 1 weight 0.10000E+01 volume 0.71218E-03 ppm1 9.032 ppm2 8.801 CV 1 OR { 972} (( segid "HID " and resid 645 and name HN )) (( segid "HID " and resid 649 and name HN )) ASSI { 975} (( segid "HID " and resid 651 and name HN )) (( segid "HID " and resid 649 and name HN )) 3.700 1.700 1.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.69359E-03 ppm1 9.033 ppm2 7.131 CV 1 OR { 975} (( segid "HID " and resid 649 and name HE21)) (( segid "HID " and resid 649 and name HN )) ASSI { 987} (( segid "HID " and resid 659 and name HN )) (( segid "HID " and resid 660 and name HN )) 3.500 1.500 1.500 peak 987 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 8.263 ppm2 8.142 CV 1 OR { 987} (( segid "HID " and resid 662 and name HN )) (( segid "HID " and resid 660 and name HN )) ASSI { 993} (( segid "HID " and resid 622 and name HN )) (( segid "HID " and resid 621 and name HN )) 2.400 0.700 0.700 peak 993 spectrum 1 weight 0.10000E+01 volume 0.53531E-02 ppm1 7.816 ppm2 7.532 CV 1 OR { 993} (( segid "HID " and resid 680 and name HN )) (( segid "HID " and resid 679 and name HN )) OR { 993} (( segid "HID " and resid 665 and name HN )) (( segid "HID " and resid 664 and name HN )) ASSI { 1005} (( segid "HID " and resid 669 and name HN )) (( segid "HID " and resid 671 and name HN )) 3.800 1.800 1.800 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.51204E-03 ppm1 9.005 ppm2 8.069 CV 1 OR { 1005} (( segid "HID " and resid 668 and name HN )) (( segid "HID " and resid 671 and name HN )) ASSI { 1009} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 672 and name HN )) 3.500 1.500 1.500 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.14244E-02 ppm1 7.735 ppm2 1.683 CV 1 OR { 1009} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 672 and name HN )) ASSI { 1010} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 672 and name HN )) 3.400 1.500 1.500 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.14523E-02 ppm1 7.732 ppm2 1.585 CV 1 OR { 1010} (( segid "HID " and resid 668 and name HG1 )) (( segid "HID " and resid 672 and name HN )) ASSI { 1035} (( segid "HID " and resid 683 and name HN )) (( segid "HID " and resid 682 and name HN )) 2.900 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.16013E-02 ppm1 8.632 ppm2 7.782 CV 1 OR { 1035} (( segid "HID " and resid 637 and name HN )) (( segid "HID " and resid 638 and name HN )) ASSI { 1039} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 684 and name HN )) 2.600 0.800 0.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.60045E-02 ppm1 7.804 ppm2 3.476 CV 1 OR { 1039} (( segid "HID " and resid 681 and name HA )) (( segid "HID " and resid 684 and name HN )) ASSI { 1042} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 685 and name HN )) 2.800 1.000 1.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.34213E-02 ppm1 8.460 ppm2 3.489 CV 1 OR { 1042} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 685 and name HN )) ASSI { 1043} (( segid "HID " and resid 684 and name HN )) (( segid "HID " and resid 685 and name HN )) 2.400 0.700 0.700 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.43802E-02 ppm1 8.461 ppm2 7.796 CV 1 OR { 1043} (( segid "HID " and resid 686 and name HN )) (( segid "HID " and resid 685 and name HN )) ASSI { 1049} (( segid "HID " and resid 686 and name HN )) (( segid "HID " and resid 688 and name HN )) 3.500 1.600 1.600 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 8.432 ppm2 7.784 CV 1 OR { 1049} (( segid "HID " and resid 684 and name HN )) (( segid "HID " and resid 688 and name HN )) ASSI { 1072} (( segid "HID " and resid 697 and name HB1 )) (( segid "HID " and resid 698 and name HN )) 2.800 1.000 1.000 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.28953E-02 ppm1 7.368 ppm2 1.670 CV 1 OR { 1072} (( segid "HID " and resid 697 and name HB2 )) (( segid "HID " and resid 698 and name HN )) OR { 1072} (( segid "HID " and resid 698 and name HD2 )) (( segid "HID " and resid 698 and name HN )) ASSI { 1082} (( segid "HID " and resid 700 and name HB2 )) (( segid "HID " and resid 700 and name HN )) 3.100 1.200 1.200 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 8.507 ppm2 1.657 CV 1 OR { 1082} (( segid "HID " and resid 699 and name HG2 )) (( segid "HID " and resid 700 and name HN )) ASSI { 1085} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 704 and name HN )) 3.200 1.300 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 7.755 ppm2 1.292 CV 1 OR { 1085} (( segid "HID " and resid 673 and name HG12)) (( segid "HID " and resid 672 and name HN )) ASSI { 1088} (( segid "HID " and resid 704 and name HG2 )) (( segid "HID " and resid 704 and name HN )) 2.900 1.100 1.100 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.71684E-02 ppm1 7.756 ppm2 2.172 CV 1 OR { 1088} (( segid "HID " and resid 704 and name HG1 )) (( segid "HID " and resid 704 and name HN )) OR { 1088} (( segid "HID " and resid 702 and name HB1 )) (( segid "HID " and resid 704 and name HN )) ASSI { 1105} (( segid "HID " and resid 710 and name HN )) (( segid "HID " and resid 709 and name HN )) 2.400 0.700 0.700 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.51669E-02 ppm1 7.794 ppm2 7.968 CV 1 OR { 1105} (( segid "HID " and resid 618 and name HN )) (( segid "HID " and resid 620 and name HN )) ASSI { 1109} (( segid "HID " and resid 712 and name HN )) (( segid "HID " and resid 711 and name HN )) 2.200 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.99149E-02 ppm1 8.385 ppm2 7.957 CV 1 OR { 1109} (( segid "HID " and resid 710 and name HN )) (( segid "HID " and resid 711 and name HN )) ASSI { 1111} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 713 and name HN )) 2.900 1.100 1.100 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.20621E-02 ppm1 7.928 ppm2 4.136 CV 1 OR { 1111} (( segid "HID " and resid 710 and name HA )) (( segid "HID " and resid 713 and name HN )) ASSI { 1115} (( segid "HID " and resid 714 and name HN )) (( segid "HID " and resid 715 and name HN )) 2.300 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.71218E-02 ppm1 8.290 ppm2 7.971 CV 1 OR { 1115} (( segid "HID " and resid 716 and name HN )) (( segid "HID " and resid 715 and name HN )) ASSI { 1124} (( segid "HID " and resid 724 and name HA )) (( segid "HID " and resid 724 and name HN )) 2.400 0.700 0.700 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.70286E-02 ppm1 8.033 ppm2 4.127 CV 1 OR { 1124} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 724 and name HN )) ASSI { 1132} (( segid "HID " and resid 706 and name HG2 )) (( segid "HID " and resid 706 and name HN )) 3.000 1.200 1.200 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 7.626 ppm2 2.153 CV 1 OR { 1132} (( segid "HID " and resid 704 and name HG2 )) (( segid "HID " and resid 706 and name HN )) OR { 1132} (( segid "HID " and resid 704 and name HG1 )) (( segid "HID " and resid 706 and name HN )) ASSI { 1134} (( segid "HID " and resid 680 and name HN )) (( segid "HID " and resid 678 and name HN )) 3.900 1.900 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.74480E-03 ppm1 8.202 ppm2 7.575 CV 1 OR { 1134} (( segid "HID " and resid 718 and name HE3 )) (( segid "HID " and resid 718 and name HN )) ASSI { 1140} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 639 and name HN )) 3.200 1.300 1.300 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.14895E-02 ppm1 8.004 ppm2 3.894 CV 1 OR { 1140} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 639 and name HN )) ASSI { 1142} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 649 and name HN )) 3.100 1.200 1.200 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.35936E-02 ppm1 9.033 ppm2 2.279 CV 1 OR { 1142} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HN )) OR { 1142} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 649 and name HN )) ASSI { 1147} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 672 and name HN )) 3.000 1.100 1.100 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.38542E-02 ppm1 7.755 ppm2 1.442 CV 1 OR { 1147} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 672 and name HN )) OR { 1147} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 621 and name HN )) ASSI { 1152} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 717 and name HN )) 3.600 1.600 1.600 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 7.764 ppm2 1.450 CV 1 OR { 1152} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 620 and name HN )) ASSI { 1153} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 683 and name HN )) 2.300 0.700 0.700 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.75872E-02 ppm1 7.763 ppm2 0.870 CV 1 OR { 1153} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 717 and name HN )) ASSI { 1156} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 717 and name HN )) 3.200 1.300 1.300 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.32863E-02 ppm1 7.763 ppm2 0.938 CV 1 OR { 1156} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 683 and name HN )) OR { 1156} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HN )) ASSI { 1157} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 707 and name HE1 )) 3.600 1.600 1.600 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 9.794 ppm2 1.241 CV 1 OR { 1157} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 707 and name HE1 )) ASSI { 1159} ( segid "HID " and resid 710 and name HB% ) (( segid "HID " and resid 707 and name HE1 )) 4.100 2.100 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.36354E-03 ppm1 9.798 ppm2 1.584 CV 1 OR { 1159} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 707 and name HE1 )) OR { 1159} (( segid "HID " and resid 620 and name HG )) (( segid "HID " and resid 707 and name HE1 )) OR { 1159} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 707 and name HE1 )) ASSI { 1160} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 707 and name HE1 )) 3.800 1.800 1.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.73082E-03 ppm1 9.789 ppm2 0.869 CV 1 OR { 1160} ( segid "SID " and resid 211 and name HD1%) (( segid "HID " and resid 707 and name HE1 )) OR { 1160} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 707 and name HE1 )) ASSI { 1168} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 620 and name HN )) 2.200 0.600 0.600 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.78202E-02 ppm1 7.826 ppm2 1.567 CV 1 OR { 1168} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 725 and name HN )) ASSI { 11} (( segid "SID " and resid 206 and name HG1 )) (( segid "SID " and resid 206 and name HB1 )) 1.900 0.400 0.400 peak 11 spectrum 1 weight 0.10000E+01 volume 0.22812E-01 ppm1 2.039 ppm2 2.289 CV 1 OR { 11} (( segid "SID " and resid 214 and name HG2 )) (( segid "SID " and resid 214 and name HB1 )) OR { 11} (( segid "SID " and resid 214 and name HG1 )) (( segid "SID " and resid 214 and name HB1 )) OR { 11} (( segid "SID " and resid 206 and name HG2 )) (( segid "SID " and resid 206 and name HB1 )) ASSI { 13} (( segid "SID " and resid 214 and name HG1 )) (( segid "SID " and resid 214 and name HB2 )) 2.100 0.600 0.600 peak 13 spectrum 1 weight 0.10000E+01 volume 0.13707E-01 ppm1 1.934 ppm2 2.289 CV 1 OR { 13} (( segid "SID " and resid 206 and name HG2 )) (( segid "SID " and resid 206 and name HB2 )) OR { 13} (( segid "SID " and resid 214 and name HG2 )) (( segid "SID " and resid 214 and name HB2 )) OR { 13} (( segid "SID " and resid 206 and name HG1 )) (( segid "SID " and resid 206 and name HB2 )) ASSI { 31} (( segid "SID " and resid 206 and name HA )) ( segid "SID " and resid 207 and name HD2%) 3.300 1.400 1.400 peak 31 spectrum 1 weight 0.10000E+01 volume 0.13247E-02 ppm1 0.703 ppm2 4.246 CV 1 OR { 31} (( segid "SID " and resid 205 and name HA )) ( segid "SID " and resid 207 and name HD2%) ASSI { 40} (( segid "HID " and resid 711 and name HA )) ( segid "SID " and resid 207 and name HD2%) 3.700 1.700 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.62033E-03 ppm1 0.697 ppm2 3.925 CV 1 OR { 40} (( segid "HID " and resid 620 and name HA )) ( segid "SID " and resid 207 and name HD2%) OR { 40} (( segid "HID " and resid 713 and name HA1 )) ( segid "SID " and resid 207 and name HD2%) ASSI { 54} (( segid "SID " and resid 210 and name HB2 )) ( segid "SID " and resid 210 and name HD1%) 2.300 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.64634E-02 ppm1 1.001 ppm2 1.678 CV 1 OR { 54} ( segid "HID " and resid 675 and name HB% ) ( segid "SID " and resid 210 and name HD1%) ASSI { 56} (( segid "HID " and resid 675 and name HA )) ( segid "SID " and resid 210 and name HD1%) 3.900 1.900 1.900 peak 56 spectrum 1 weight 0.10000E+01 volume 0.58429E-03 ppm1 0.997 ppm2 4.291 CV 1 OR { 56} (( segid "SID " and resid 212 and name HA )) ( segid "SID " and resid 210 and name HD1%) ASSI { 58} (( segid "SID " and resid 210 and name HB2 )) ( segid "SID " and resid 210 and name HD2%) 2.100 0.600 0.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15448E-01 ppm1 0.929 ppm2 1.673 CV 1 OR { 58} ( segid "HID " and resid 675 and name HB% ) ( segid "SID " and resid 210 and name HD2%) ASSI { 63} (( segid "HID " and resid 676 and name HB2 )) ( segid "SID " and resid 210 and name HD2%) 3.700 1.700 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.29815E-03 ppm1 0.929 ppm2 2.860 CV 1 OR { 63} (( segid "HID " and resid 676 and name HB1 )) ( segid "SID " and resid 210 and name HD2%) OR { 63} (( segid "SID " and resid 208 and name HB1 )) ( segid "SID " and resid 210 and name HD2%) ASSI { 67} (( segid "SID " and resid 211 and name HA )) ( segid "SID " and resid 211 and name HD1%) 3.400 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 0.843 ppm2 4.444 CV 1 OR { 67} (( segid "SID " and resid 210 and name HA )) ( segid "SID " and resid 211 and name HD1%) ASSI { 91} (( segid "SID " and resid 214 and name HG2 )) (( segid "SID " and resid 214 and name HA )) 2.600 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.45423E-02 ppm1 4.003 ppm2 2.317 CV 1 OR { 91} (( segid "SID " and resid 218 and name HG1 )) (( segid "SID " and resid 218 and name HA )) OR { 91} (( segid "SID " and resid 214 and name HG1 )) (( segid "SID " and resid 214 and name HA )) ASSI { 115} ( segid "HID " and resid 710 and name HB% ) (( segid "SID " and resid 207 and name HB2 )) 2.500 2.500 3.500 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26013E-02 ppm1 1.011 ppm2 1.569 CV 1 OR { 115} (( segid "HID " and resid 677 and name HG2 )) ( segid "SID " and resid 216 and name HD1%) ASSI { 125} (( segid "HID " and resid 677 and name HG1 )) ( segid "SID " and resid 216 and name HG2%) 3.000 1.100 1.100 peak 125 spectrum 1 weight 0.10000E+01 volume 0.20210E-02 ppm1 1.090 ppm2 1.684 CV 1 OR { 125} (( segid "SID " and resid 211 and name HB1 )) ( segid "SID " and resid 216 and name HG2%) ASSI { 132} (( segid "SID " and resid 220 and name HG )) (( segid "SID " and resid 217 and name HA )) 4.000 2.000 2.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.43222E-03 ppm1 4.208 ppm2 1.606 CV 1 OR { 132} (( segid "SID " and resid 216 and name HG11)) (( segid "SID " and resid 217 and name HA )) ASSI { 134} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 217 and name HB1 )) 4.600 2.700 1.400 peak 134 spectrum 1 weight 0.10000E+01 volume 0.14127E-03 ppm1 2.206 ppm2 3.980 CV 1 OR { 134} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 217 and name HB1 )) ASSI { 138} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 217 and name HB2 )) 3.800 1.800 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.34017E-03 ppm1 2.063 ppm2 3.987 CV 1 OR { 138} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 217 and name HB2 )) ASSI { 142} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 217 and name HG1 )) 4.200 2.200 1.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.26213E-03 ppm1 2.733 ppm2 3.986 CV 1 OR { 142} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 217 and name HG1 )) ASSI { 147} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 217 and name HG2 )) 4.400 2.400 1.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16408E-03 ppm1 2.662 ppm2 3.991 CV 1 OR { 147} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 217 and name HG2 )) ASSI { 163} (( segid "SID " and resid 215 and name HA )) (( segid "SID " and resid 218 and name HB1 )) 2.700 0.900 0.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.25613E-02 ppm1 2.171 ppm2 3.985 CV 1 OR { 163} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 218 and name HB1 )) ASSI { 165} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 218 and name HB2 )) 2.600 0.800 0.800 peak 165 spectrum 1 weight 0.10000E+01 volume 0.33817E-02 ppm1 2.108 ppm2 3.985 CV 1 OR { 165} (( segid "SID " and resid 215 and name HA )) (( segid "SID " and resid 218 and name HB2 )) ASSI { 167} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 218 and name HG1 )) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.63231E-02 ppm1 2.334 ppm2 3.992 CV 1 OR { 167} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 218 and name HG2 )) OR { 167} (( segid "SID " and resid 215 and name HA )) (( segid "SID " and resid 218 and name HG2 )) ASSI { 180} ( segid "SID " and resid 223 and name HD1%) (( segid "SID " and resid 220 and name HA )) 2.800 1.000 1.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.20210E-02 ppm1 3.866 ppm2 0.761 CV 1 OR { 180} ( segid "SID " and resid 220 and name HD1%) (( segid "SID " and resid 220 and name HA )) ASSI { 224} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 221 and name HG1 )) 2.900 1.000 1.000 peak 224 spectrum 1 weight 0.10000E+01 volume 0.23212E-02 ppm1 1.809 ppm2 4.036 CV 1 OR { 224} (( segid "SID " and resid 223 and name HA )) (( segid "SID " and resid 223 and name HG )) ASSI { 237} (( segid "SID " and resid 219 and name HA )) (( segid "SID " and resid 222 and name HB )) 2.800 1.000 1.000 peak 237 spectrum 1 weight 0.10000E+01 volume 0.21011E-02 ppm1 3.898 ppm2 4.261 CV 1 OR { 237} (( segid "SID " and resid 222 and name HA )) (( segid "SID " and resid 222 and name HB )) ASSI { 242} (( segid "SID " and resid 223 and name HA )) ( segid "SID " and resid 222 and name HG2%) 3.100 1.200 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.18589E-02 ppm1 1.212 ppm2 4.031 CV 1 OR { 242} (( segid "HID " and resid 692 and name HA )) ( segid "SID " and resid 222 and name HG2%) ASSI { 243} (( segid "HID " and resid 695 and name HB )) ( segid "SID " and resid 222 and name HG2%) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.66434E-03 ppm1 1.212 ppm2 2.003 CV 1 OR { 243} (( segid "SID " and resid 221 and name HB2 )) ( segid "SID " and resid 222 and name HG2%) ASSI { 246} (( segid "SID " and resid 223 and name HG )) (( segid "SID " and resid 223 and name HA )) 3.300 1.400 1.400 peak 246 spectrum 1 weight 0.10000E+01 volume 0.87446E-03 ppm1 4.033 ppm2 1.802 CV 1 OR { 246} (( segid "HID " and resid 691 and name HB )) (( segid "SID " and resid 223 and name HA )) ASSI { 249} ( segid "SID " and resid 222 and name HG2%) (( segid "SID " and resid 223 and name HG )) 3.900 1.900 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.71436E-03 ppm1 1.805 ppm2 1.222 CV 1 OR { 249} ( segid "HID " and resid 692 and name HB% ) (( segid "SID " and resid 223 and name HG )) ASSI { 252} (( segid "SID " and resid 219 and name HA )) ( segid "SID " and resid 223 and name HD1%) 3.900 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.52827E-03 ppm1 0.797 ppm2 4.265 CV 1 OR { 252} (( segid "SID " and resid 222 and name HA )) ( segid "SID " and resid 223 and name HD1%) ASSI { 254} (( segid "SID " and resid 223 and name HA )) ( segid "SID " and resid 223 and name HD1%) 3.000 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.43022E-02 ppm1 0.799 ppm2 4.043 CV 1 OR { 254} (( segid "HID " and resid 692 and name HA )) ( segid "SID " and resid 223 and name HD1%) ASSI { 259} (( segid "HID " and resid 681 and name HA )) ( segid "SID " and resid 223 and name HD1%) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.29615E-02 ppm1 0.800 ppm2 3.461 CV 1 OR { 259} (( segid "HID " and resid 684 and name HA2 )) ( segid "SID " and resid 223 and name HD1%) ASSI { 261} (( segid "SID " and resid 217 and name HA )) ( segid "SID " and resid 223 and name HD1%) 4.300 2.300 1.700 peak 261 spectrum 1 weight 0.10000E+01 volume 0.42821E-03 ppm1 0.799 ppm2 4.201 CV 1 OR { 261} (( segid "HID " and resid 691 and name HA )) ( segid "SID " and resid 223 and name HD1%) ASSI { 262} (( segid "HID " and resid 695 and name HB )) ( segid "SID " and resid 223 and name HD1%) 3.100 3.100 2.900 peak 262 spectrum 1 weight 0.10000E+01 volume 0.11646E-02 ppm1 0.801 ppm2 2.015 CV 1 OR { 262} (( segid "SID " and resid 221 and name HB1 )) ( segid "SID " and resid 223 and name HD1%) OR { 262} (( segid "SID " and resid 221 and name HB2 )) ( segid "SID " and resid 223 and name HD1%) ASSI { 263} (( segid "HID " and resid 692 and name HA )) ( segid "SID " and resid 223 and name HD2%) 2.300 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.61431E-02 ppm1 0.780 ppm2 4.036 CV 1 OR { 263} (( segid "SID " and resid 223 and name HA )) ( segid "SID " and resid 223 and name HD2%) ASSI { 268} (( segid "HID " and resid 681 and name HA )) ( segid "SID " and resid 223 and name HD2%) 3.100 1.200 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.20610E-02 ppm1 0.781 ppm2 3.462 CV 1 OR { 268} (( segid "HID " and resid 684 and name HA2 )) ( segid "SID " and resid 223 and name HD2%) ASSI { 278} (( segid "SID " and resid 225 and name HB2 )) (( segid "SID " and resid 224 and name HA )) 4.400 2.400 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.26013E-03 ppm1 4.626 ppm2 1.778 CV 1 OR { 278} (( segid "SID " and resid 223 and name HG )) (( segid "SID " and resid 224 and name HA )) ASSI { 295} (( segid "SID " and resid 226 and name HG )) ( segid "SID " and resid 226 and name HD2%) 2.000 0.500 0.500 peak 295 spectrum 1 weight 0.10000E+01 volume 0.15428E-01 ppm1 0.883 ppm2 1.612 CV 1 OR { 295} (( segid "SID " and resid 211 and name HG )) ( segid "SID " and resid 211 and name HD1%) OR { 295} (( segid "SID " and resid 226 and name HB1 )) ( segid "SID " and resid 226 and name HD2%) ASSI { 2} ( segid "SID " and resid 205 and name HB% ) (( segid "SID " and resid 205 and name HN )) 2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.66693E-02 ppm1 8.170 ppm2 1.309 CV 1 OR { 2} ( segid "SID " and resid 204 and name HB% ) (( segid "SID " and resid 205 and name HN )) ASSI { 3} (( segid "SID " and resid 205 and name HA )) (( segid "SID " and resid 206 and name HN )) 2.200 0.600 0.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.10250E-01 ppm1 8.150 ppm2 4.232 CV 1 OR { 3} (( segid "SID " and resid 206 and name HA )) (( segid "SID " and resid 206 and name HN )) ASSI { 34} (( segid "SID " and resid 210 and name HA )) (( segid "SID " and resid 211 and name HN )) 2.400 0.700 0.700 peak 34 spectrum 1 weight 0.10000E+01 volume 0.45633E-02 ppm1 8.292 ppm2 4.451 CV 1 OR { 34} (( segid "SID " and resid 211 and name HA )) (( segid "SID " and resid 211 and name HN )) ASSI { 35} (( segid "SID " and resid 211 and name HB1 )) (( segid "SID " and resid 211 and name HN )) 3.700 1.700 1.700 peak 35 spectrum 1 weight 0.10000E+01 volume 0.15726E-02 ppm1 8.295 ppm2 1.706 CV 1 OR { 35} (( segid "SID " and resid 210 and name HB2 )) (( segid "SID " and resid 211 and name HN )) ASSI { 45} (( segid "SID " and resid 212 and name HA )) (( segid "SID " and resid 213 and name HN )) 2.200 0.600 0.600 peak 45 spectrum 1 weight 0.10000E+01 volume 0.99692E-02 ppm1 8.916 ppm2 4.329 CV 1 OR { 45} (( segid "SID " and resid 213 and name HA )) (( segid "SID " and resid 213 and name HN )) ASSI { 49} (( segid "SID " and resid 213 and name HA )) (( segid "SID " and resid 214 and name HN )) 3.600 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 8.510 ppm2 4.327 CV 1 OR { 49} (( segid "SID " and resid 212 and name HA )) (( segid "SID " and resid 214 and name HN )) ASSI { 55} (( segid "SID " and resid 214 and name HG2 )) (( segid "SID " and resid 214 and name HN )) 3.800 1.800 1.800 peak 55 spectrum 1 weight 0.10000E+01 volume 0.19657E-02 ppm1 8.510 ppm2 2.324 CV 1 OR { 55} (( segid "SID " and resid 214 and name HG1 )) (( segid "SID " and resid 214 and name HN )) OR { 55} (( segid "SID " and resid 215 and name HB2 )) (( segid "SID " and resid 214 and name HN )) ASSI { 60} (( segid "SID " and resid 215 and name HA )) (( segid "SID " and resid 215 and name HN )) 2.900 1.000 1.000 peak 60 spectrum 1 weight 0.10000E+01 volume 0.22044E-02 ppm1 7.709 ppm2 3.984 CV 1 OR { 60} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 215 and name HN )) ASSI { 80} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 218 and name HN )) 2.500 0.800 0.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.55742E-02 ppm1 8.064 ppm2 4.003 CV 1 OR { 80} (( segid "SID " and resid 215 and name HA )) (( segid "SID " and resid 218 and name HN )) ASSI { 81} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 218 and name HN )) 2.300 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.88460E-02 ppm1 8.062 ppm2 2.186 CV 1 OR { 81} (( segid "SID " and resid 217 and name HB1 )) (( segid "SID " and resid 218 and name HN )) ASSI { 83} (( segid "SID " and resid 218 and name HG1 )) (( segid "SID " and resid 218 and name HN )) 3.700 1.700 1.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.21202E-02 ppm1 8.061 ppm2 2.351 CV 1 OR { 83} (( segid "SID " and resid 218 and name HG2 )) (( segid "SID " and resid 218 and name HN )) OR { 83} (( segid "SID " and resid 219 and name HB2 )) (( segid "SID " and resid 218 and name HN )) ASSI { 108} (( segid "SID " and resid 222 and name HA )) (( segid "SID " and resid 222 and name HN )) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.54619E-02 ppm1 8.187 ppm2 4.291 CV 1 OR { 108} (( segid "SID " and resid 219 and name HA )) (( segid "SID " and resid 222 and name HN )) ASSI { 112} (( segid "SID " and resid 222 and name HB )) (( segid "SID " and resid 223 and name HN )) 3.000 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.14743E-02 ppm1 7.731 ppm2 3.888 CV 1 OR { 112} (( segid "SID " and resid 220 and name HA )) (( segid "SID " and resid 223 and name HN )) ASSI { 113} (( segid "SID " and resid 222 and name HA )) (( segid "SID " and resid 223 and name HN )) 3.100 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 7.731 ppm2 4.298 CV 1 OR { 113} (( segid "SID " and resid 219 and name HA )) (( segid "SID " and resid 223 and name HN )) ASSI { 120} (( segid "SID " and resid 223 and name HA )) (( segid "SID " and resid 224 and name HN )) 3.000 1.100 1.100 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18534E-02 ppm1 8.084 ppm2 4.062 CV 1 OR { 120} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 224 and name HN )) ASSI { 121} (( segid "SID " and resid 223 and name HN )) (( segid "SID " and resid 224 and name HN )) 2.600 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.40157E-02 ppm1 8.085 ppm2 7.735 CV 1 OR { 121} (( segid "SID " and resid 226 and name HN )) (( segid "SID " and resid 224 and name HN )) ASSI { 132} (( segid "SID " and resid 225 and name HD1 )) (( segid "SID " and resid 225 and name HN )) 3.600 1.600 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.16147E-02 ppm1 7.939 ppm2 1.648 CV 1 OR { 132} (( segid "SID " and resid 225 and name HD2 )) (( segid "SID " and resid 225 and name HN )) OR { 132} (( segid "SID " and resid 226 and name HB2 )) (( segid "SID " and resid 225 and name HN )) OR { 132} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 225 and name HN )) OR { 132} (( segid "SID " and resid 226 and name HB1 )) (( segid "SID " and resid 225 and name HN )) ASSI { 143} (( segid "SID " and resid 226 and name HA )) (( segid "SID " and resid 227 and name HN )) 2.600 0.800 0.800 peak 143 spectrum 1 weight 0.10000E+01 volume 0.38472E-02 ppm1 8.120 ppm2 4.384 CV 1 OR { 143} (( segid "SID " and resid 227 and name HA )) (( segid "SID " and resid 227 and name HN )) ASSI { 145} (( segid "SID " and resid 226 and name HB1 )) (( segid "SID " and resid 227 and name HN )) 3.900 1.900 1.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.94778E-03 ppm1 8.119 ppm2 1.628 CV 1 OR { 145} (( segid "SID " and resid 226 and name HB2 )) (( segid "SID " and resid 227 and name HN )) OR { 145} (( segid "SID " and resid 226 and name HG )) (( segid "SID " and resid 227 and name HN )) OR { 145} (( segid "SID " and resid 227 and name HD1 )) (( segid "SID " and resid 227 and name HN )) ASSI { 148} (( segid "SID " and resid 227 and name HD1 )) (( segid "SID " and resid 228 and name HN )) 4.400 2.400 1.600 peak 148 spectrum 1 weight 0.10000E+01 volume 0.25835E-03 ppm1 7.917 ppm2 1.634 CV 1 OR { 148} (( segid "SID " and resid 226 and name HB1 )) (( segid "SID " and resid 228 and name HN )) OR { 148} (( segid "SID " and resid 226 and name HG )) (( segid "SID " and resid 228 and name HN )) OR { 148} (( segid "SID " and resid 226 and name HB2 )) (( segid "SID " and resid 228 and name HN )) ASSI { 4} ( segid "SID " and resid 216 and name HD1%) (( segid "HID " and resid 674 and name HA )) 2.900 1.100 1.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 4.676 ppm2 1.029 CV 1 OR { 4} (( segid "SID " and resid 216 and name HG12)) (( segid "HID " and resid 674 and name HA )) ASSI { 7} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 669 and name HA )) 3.200 1.300 1.300 peak 7 spectrum 1 weight 0.10000E+01 volume 0.99880E-03 ppm1 4.163 ppm2 2.026 CV 1 OR { 7} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 669 and name HA )) ASSI { 8} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 708 and name HD1 )) 2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.18188E-02 ppm1 3.297 ppm2 4.140 CV 1 ASSI { 9} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 708 and name HD2 )) 2.900 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 3.206 ppm2 4.140 CV 1 ASSI { 10} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 670 and name HA )) 3.200 1.300 1.300 peak 10 spectrum 1 weight 0.10000E+01 volume 0.93468E-03 ppm1 4.533 ppm2 0.846 CV 1 ASSI { 12} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HA )) 3.500 1.500 1.500 peak 12 spectrum 1 weight 0.10000E+01 volume 0.76597E-03 ppm1 4.349 ppm2 1.436 CV 1 OR { 12} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HA )) ASSI { 14} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 654 and name HA )) 2.600 0.800 0.800 peak 14 spectrum 1 weight 0.10000E+01 volume 0.42516E-02 ppm1 4.484 ppm2 0.917 CV 1 OR { 14} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 654 and name HA )) ASSI { 15} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 644 and name HA )) 2.600 0.900 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.60399E-02 ppm1 4.604 ppm2 0.819 CV 1 ASSI { 16} (( segid "HID " and resid 706 and name HB2 )) (( segid "HID " and resid 703 and name HA )) 3.400 1.400 1.400 peak 16 spectrum 1 weight 0.10000E+01 volume 0.98530E-03 ppm1 3.412 ppm2 1.933 CV 1 ASSI { 17} (( segid "HID " and resid 706 and name HB1 )) (( segid "HID " and resid 703 and name HA )) 3.100 1.200 1.200 peak 17 spectrum 1 weight 0.10000E+01 volume 0.78621E-03 ppm1 3.417 ppm2 1.997 CV 1 ASSI { 19} (( segid "HID " and resid 689 and name HB1 )) (( segid "HID " and resid 689 and name HA )) 2.900 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.11506E-02 ppm1 4.411 ppm2 2.881 CV 1 ASSI { 20} (( segid "HID " and resid 689 and name HB2 )) (( segid "HID " and resid 689 and name HA )) 3.600 1.700 1.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.50614E-03 ppm1 4.409 ppm2 1.812 CV 1 ASSI { 24} (( segid "HID " and resid 670 and name HB1 )) (( segid "HID " and resid 670 and name HA )) 3.000 1.200 1.200 peak 24 spectrum 1 weight 0.10000E+01 volume 0.14239E-02 ppm1 4.534 ppm2 2.090 CV 1 OR { 24} (( segid "HID " and resid 670 and name HG )) (( segid "HID " and resid 670 and name HA )) ASSI { 26} (( segid "HID " and resid 676 and name HB2 )) (( segid "HID " and resid 676 and name HA )) 2.300 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.74232E-02 ppm1 4.549 ppm2 2.860 CV 1 OR { 26} (( segid "HID " and resid 676 and name HB1 )) (( segid "HID " and resid 676 and name HA )) ASSI { 28} (( segid "HID " and resid 615 and name HB1 )) (( segid "HID " and resid 615 and name HA )) 2.600 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.36780E-02 ppm1 4.532 ppm2 2.752 CV 1 ASSI { 29} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 677 and name HA )) 2.500 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.31010E-02 ppm1 4.714 ppm2 1.707 CV 1 ASSI { 30} (( segid "HID " and resid 677 and name HB1 )) (( segid "HID " and resid 677 and name HA )) 2.800 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 4.713 ppm2 2.106 CV 1 OR { 30} (( segid "HID " and resid 677 and name HB2 )) (( segid "HID " and resid 677 and name HA )) ASSI { 31} (( segid "HID " and resid 654 and name HG )) (( segid "HID " and resid 654 and name HA )) 3.200 1.300 1.300 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 4.502 ppm2 1.847 CV 1 ASSI { 32} (( segid "HID " and resid 656 and name HB1 )) (( segid "HID " and resid 656 and name HA )) 2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 4.501 ppm2 2.822 CV 1 OR { 32} (( segid "HID " and resid 656 and name HB2 )) (( segid "HID " and resid 656 and name HA )) ASSI { 33} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 644 and name HA )) 2.900 1.000 1.000 peak 33 spectrum 1 weight 0.10000E+01 volume 0.15623E-02 ppm1 4.601 ppm2 1.941 CV 1 ASSI { 34} (( segid "HID " and resid 653 and name HB1 )) (( segid "HID " and resid 653 and name HA )) 2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.33439E-02 ppm1 4.576 ppm2 1.845 CV 1 ASSI { 36} (( segid "HID " and resid 654 and name HB1 )) (( segid "HID " and resid 654 and name HA )) 2.700 0.900 0.900 peak 36 spectrum 1 weight 0.10000E+01 volume 0.22776E-02 ppm1 4.488 ppm2 1.736 CV 1 ASSI { 37} (( segid "HID " and resid 654 and name HB2 )) (( segid "HID " and resid 654 and name HA )) 2.800 1.000 1.000 peak 37 spectrum 1 weight 0.10000E+01 volume 0.27872E-02 ppm1 4.488 ppm2 1.633 CV 1 ASSI { 38} (( segid "HID " and resid 655 and name HB2 )) (( segid "HID " and resid 656 and name HA )) 2.700 2.700 3.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 4.501 ppm2 2.661 CV 1 ASSI { 40} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 715 and name HA )) 2.400 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.58038E-02 ppm1 4.650 ppm2 2.880 CV 1 OR { 40} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 715 and name HA )) ASSI { 41} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 722 and name HA )) 2.600 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 4.609 ppm2 2.477 CV 1 ASSI { 42} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 722 and name HA )) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 4.608 ppm2 2.672 CV 1 ASSI { 43} (( segid "HID " and resid 707 and name HZ3 )) (( segid "HID " and resid 627 and name HB2 )) 3.600 1.600 1.600 peak 43 spectrum 1 weight 0.10000E+01 volume 0.36780E-03 ppm1 2.931 ppm2 -1.305 CV 1 ASSI { 44} ( segid "HID " and resid 652 and name HD% ) (( segid "HID " and resid 652 and name HB2 )) 3.900 1.900 1.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.31516E-03 ppm1 3.001 ppm2 -0.903 CV 1 ASSI { 45} ( segid "HID " and resid 674 and name HD% ) (( segid "HID " and resid 674 and name HB1 )) 4.200 2.200 1.800 peak 45 spectrum 1 weight 0.10000E+01 volume 0.23080E-03 ppm1 2.878 ppm2 -0.895 CV 1 ASSI { 46} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 715 and name HB2 )) 4.900 3.000 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.18525E-03 ppm1 2.904 ppm2 -0.799 CV 1 OR { 46} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 715 and name HB1 )) ASSI { 48} ( segid "HID " and resid 726 and name HE% ) (( segid "HID " and resid 726 and name HB1 )) 4.700 2.800 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.32933E-03 ppm1 3.001 ppm2 -1.202 CV 1 ASSI { 49} ( segid "HID " and resid 618 and name HD% ) (( segid "HID " and resid 618 and name HB1 )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.89080E-03 ppm1 3.191 ppm2 -0.752 CV 1 ASSI { 50} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 714 and name HB1 )) 3.100 1.200 1.200 peak 50 spectrum 1 weight 0.10000E+01 volume 0.12046E-02 ppm1 3.081 ppm2 -0.802 CV 1 OR { 50} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 714 and name HB2 )) ASSI { 51} ( segid "HID " and resid 618 and name HD% ) (( segid "HID " and resid 618 and name HB2 )) 2.900 1.000 1.000 peak 51 spectrum 1 weight 0.10000E+01 volume 0.19706E-02 ppm1 3.027 ppm2 -0.780 CV 1 ASSI { 54} ( segid "HID " and resid 725 and name HD% ) (( segid "HID " and resid 725 and name HB1 )) 2.900 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.16905E-02 ppm1 2.964 ppm2 -1.009 CV 1 ASSI { 55} ( segid "HID " and resid 725 and name HD% ) (( segid "HID " and resid 725 and name HB2 )) 3.000 1.100 1.100 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 2.846 ppm2 -1.009 CV 1 ASSI { 56} (( segid "HID " and resid 609 and name HD2 )) (( segid "HID " and resid 609 and name HB1 )) 4.000 2.000 2.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.31482E-03 ppm1 3.065 ppm2 -1.065 CV 1 OR { 56} (( segid "HID " and resid 609 and name HD2 )) (( segid "HID " and resid 609 and name HB2 )) ASSI { 57} (( segid "HID " and resid 707 and name HE3 )) (( segid "HID " and resid 704 and name HA )) 3.500 1.600 1.600 peak 57 spectrum 1 weight 0.10000E+01 volume 0.36105E-03 ppm1 3.828 ppm2 -0.795 CV 1 ASSI { 58} ( segid "HID " and resid 714 and name HD% ) (( segid "HID " and resid 711 and name HA )) 3.800 1.800 1.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.35767E-03 ppm1 3.949 ppm2 -0.775 CV 1 ASSI { 59} (( segid "HID " and resid 707 and name HD1 )) (( segid "HID " and resid 624 and name HA )) 3.500 3.500 2.500 peak 59 spectrum 1 weight 0.10000E+01 volume 0.32326E-03 ppm1 4.198 ppm2 -0.999 CV 1 ASSI { 61} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 686 and name HD2 )) 2.300 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.65460E-02 ppm1 3.169 ppm2 1.449 CV 1 OR { 61} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 686 and name HD1 )) ASSI { 63} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HD2 )) 3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 3.182 ppm2 0.980 CV 1 OR { 63} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 632 and name HD2 )) ASSI { 64} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HD1 )) 3.400 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.93132E-03 ppm1 3.257 ppm2 0.968 CV 1 ASSI { 67} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 612 and name HD2 )) 3.500 1.600 1.600 peak 67 spectrum 1 weight 0.10000E+01 volume 0.54664E-03 ppm1 3.113 ppm2 0.778 CV 1 OR { 67} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 612 and name HD1 )) ASSI { 70} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 708 and name HD2 )) 3.500 1.500 1.500 peak 70 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 3.202 ppm2 1.310 CV 1 ASSI { 71} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 708 and name HD1 )) 4.100 2.100 1.900 peak 71 spectrum 1 weight 0.10000E+01 volume 0.21899E-03 ppm1 3.298 ppm2 1.301 CV 1 ASSI { 76} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 688 and name HB1 )) 3.100 1.200 1.200 peak 76 spectrum 1 weight 0.10000E+01 volume 0.96843E-03 ppm1 3.035 ppm2 0.828 CV 1 ASSI { 78} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 693 and name HA )) 2.600 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.31651E-02 ppm1 3.579 ppm2 0.861 CV 1 ASSI { 79} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 630 and name HB )) 2.800 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.17107E-02 ppm1 4.264 ppm2 1.198 CV 1 ASSI { 84} (( segid "HID " and resid 707 and name HZ3 )) ( segid "HID " and resid 623 and name HG2%) 3.000 3.000 3.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.76597E-03 ppm1 0.025 ppm2 -1.301 CV 1 ASSI { 86} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 623 and name HA )) 3.700 1.700 1.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.48590E-03 ppm1 3.280 ppm2 0.859 CV 1 ASSI { 87} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 631 and name HA )) 2.800 1.000 1.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.24194E-02 ppm1 3.405 ppm2 0.907 CV 1 ASSI { 88} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 631 and name HA )) 2.800 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.15353E-02 ppm1 3.399 ppm2 0.748 CV 1 ASSI { 89} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 631 and name HA )) 2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 3.399 ppm2 0.830 CV 1 ASSI { 90} ( segid "HID " and resid 665 and name HD1%) (( segid "HID " and resid 662 and name HB2 )) 4.100 2.100 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.32899E-03 ppm1 3.796 ppm2 0.814 CV 1 ASSI { 91} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 690 and name HB2 )) 4.400 2.400 1.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.20853E-03 ppm1 3.821 ppm2 0.630 CV 1 ASSI { 92} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 690 and name HB1 )) 4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.35430E-03 ppm1 3.945 ppm2 0.464 CV 1 ASSI { 93} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 690 and name HB2 )) 4.100 2.100 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.30234E-03 ppm1 3.818 ppm2 0.469 CV 1 ASSI { 94} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 681 and name HA )) 4.200 2.200 1.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.52639E-03 ppm1 3.471 ppm2 1.053 CV 1 ASSI { 96} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 681 and name HA )) 3.100 1.200 1.200 peak 96 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 3.469 ppm2 0.810 CV 1 ASSI { 97} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 690 and name HA )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.51964E-03 ppm1 4.057 ppm2 0.464 CV 1 ASSI { 98} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 690 and name HA )) 3.100 1.200 1.200 peak 98 spectrum 1 weight 0.10000E+01 volume 0.11642E-02 ppm1 4.060 ppm2 0.628 CV 1 ASSI { 101} (( segid "HID " and resid 610 and name HG12)) (( segid "HID " and resid 610 and name HA )) 3.300 1.400 1.400 peak 101 spectrum 1 weight 0.10000E+01 volume 0.75583E-03 ppm1 4.085 ppm2 1.043 CV 1 ASSI { 102} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 610 and name HA )) 2.800 1.000 1.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.25341E-02 ppm1 4.083 ppm2 0.760 CV 1 OR { 102} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 610 and name HA )) ASSI { 103} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 691 and name HA )) 2.500 0.800 0.800 peak 103 spectrum 1 weight 0.10000E+01 volume 0.47578E-02 ppm1 4.212 ppm2 0.859 CV 1 OR { 103} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 691 and name HA )) ASSI { 106} (( segid "HID " and resid 620 and name HA )) ( segid "HID " and resid 623 and name HG2%) 4.200 2.200 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.49602E-03 ppm1 0.020 ppm2 3.936 CV 1 ASSI { 107} (( segid "HID " and resid 623 and name HA )) ( segid "HID " and resid 623 and name HG2%) 2.900 1.000 1.000 peak 107 spectrum 1 weight 0.10000E+01 volume 0.20043E-02 ppm1 0.024 ppm2 3.279 CV 1 ASSI { 108} (( segid "HID " and resid 672 and name HD2 )) ( segid "HID " and resid 623 and name HG2%) 3.200 1.200 1.200 peak 108 spectrum 1 weight 0.10000E+01 volume 0.10865E-02 ppm1 0.028 ppm2 2.661 CV 1 OR { 108} (( segid "HID " and resid 672 and name HD1 )) ( segid "HID " and resid 623 and name HG2%) ASSI { 115} (( segid "HID " and resid 626 and name HB )) ( segid "HID " and resid 622 and name HG1%) 3.800 1.800 1.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.44541E-03 ppm1 0.861 ppm2 4.261 CV 1 ASSI { 118} (( segid "HID " and resid 662 and name HA )) ( segid "HID " and resid 664 and name HG1%) 3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.64452E-03 ppm1 0.982 ppm2 4.535 CV 1 ASSI { 119} (( segid "HID " and resid 717 and name HA )) ( segid "HID " and resid 717 and name HG1%) 2.600 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.35767E-02 ppm1 0.981 ppm2 3.973 CV 1 ASSI { 121} (( segid "HID " and resid 661 and name HA )) ( segid "HID " and resid 664 and name HG1%) 3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.58713E-03 ppm1 0.988 ppm2 4.314 CV 1 OR { 121} (( segid "HID " and resid 661 and name HB )) ( segid "HID " and resid 664 and name HG1%) ASSI { 122} (( segid "HID " and resid 684 and name HA2 )) ( segid "HID " and resid 692 and name HB% ) 3.900 1.900 1.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.60063E-03 ppm1 1.254 ppm2 3.480 CV 1 ASSI { 124} (( segid "HID " and resid 685 and name HA )) ( segid "HID " and resid 692 and name HB% ) 2.300 0.700 0.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.51627E-02 ppm1 1.258 ppm2 3.710 CV 1 ASSI { 125} (( segid "HID " and resid 692 and name HA )) ( segid "HID " and resid 692 and name HB% ) 2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.73896E-02 ppm1 1.258 ppm2 4.054 CV 1 ASSI { 126} (( segid "HID " and resid 689 and name HA )) ( segid "HID " and resid 692 and name HB% ) 2.700 0.900 0.900 peak 126 spectrum 1 weight 0.10000E+01 volume 0.26387E-02 ppm1 1.258 ppm2 4.415 CV 1 ASSI { 127} (( segid "HID " and resid 661 and name HB )) ( segid "HID " and resid 661 and name HG2%) 2.100 0.600 0.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.13295E-01 ppm1 1.265 ppm2 4.327 CV 1 OR { 127} (( segid "HID " and resid 661 and name HA )) ( segid "HID " and resid 661 and name HG2%) ASSI { 128} (( segid "HID " and resid 657 and name HB )) ( segid "HID " and resid 657 and name HG2%) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.67484E-02 ppm1 1.187 ppm2 4.154 CV 1 ASSI { 132} (( segid "HID " and resid 700 and name HA )) ( segid "HID " and resid 700 and name HD1%) 2.400 0.700 0.700 peak 132 spectrum 1 weight 0.10000E+01 volume 0.64452E-02 ppm1 0.969 ppm2 3.970 CV 1 ASSI { 133} (( segid "HID " and resid 626 and name HA )) ( segid "HID " and resid 626 and name HG2%) 2.500 0.800 0.800 peak 133 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 1.309 ppm2 3.990 CV 1 ASSI { 134} (( segid "HID " and resid 626 and name HB )) ( segid "HID " and resid 626 and name HG2%) 2.300 0.600 0.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.64109E-02 ppm1 1.307 ppm2 4.266 CV 1 ASSI { 135} (( segid "HID " and resid 669 and name HA )) ( segid "HID " and resid 626 and name HG2%) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 1.307 ppm2 4.169 CV 1 ASSI { 136} (( segid "HID " and resid 665 and name HA )) ( segid "HID " and resid 626 and name HG2%) 3.300 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.81995E-03 ppm1 1.306 ppm2 3.729 CV 1 ASSI { 137} (( segid "HID " and resid 623 and name HA )) ( segid "HID " and resid 626 and name HG2%) 4.300 2.400 1.700 peak 137 spectrum 1 weight 0.10000E+01 volume 0.33439E-03 ppm1 1.309 ppm2 3.283 CV 1 ASSI { 138} (( segid "HID " and resid 630 and name HA )) ( segid "HID " and resid 630 and name HG2%) 2.300 0.700 0.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.61077E-02 ppm1 1.189 ppm2 4.065 CV 1 ASSI { 140} (( segid "HID " and resid 630 and name HB )) ( segid "HID " and resid 700 and name HD1%) 3.800 1.800 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.38129E-03 ppm1 0.972 ppm2 4.271 CV 1 ASSI { 141} (( segid "HID " and resid 627 and name HA )) ( segid "HID " and resid 700 and name HD1%) 3.800 1.800 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 0.969 ppm2 4.435 CV 1 ASSI { 144} (( segid "HID " and resid 620 and name HA )) ( segid "HID " and resid 623 and name HG1%) 2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.17175E-02 ppm1 0.509 ppm2 3.948 CV 1 ASSI { 145} (( segid "HID " and resid 623 and name HA )) ( segid "HID " and resid 623 and name HG1%) 2.700 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 0.507 ppm2 3.280 CV 1 ASSI { 147} (( segid "HID " and resid 694 and name HD2 )) ( segid "HID " and resid 693 and name HG2%) 3.700 1.700 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.16264E-02 ppm1 0.860 ppm2 3.439 CV 1 ASSI { 149} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 634 and name HD2%) 2.300 0.700 0.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.63101E-02 ppm1 0.864 ppm2 4.108 CV 1 ASSI { 150} (( segid "HID " and resid 727 and name HA )) ( segid "HID " and resid 727 and name HD2%) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.30942E-02 ppm1 0.855 ppm2 4.302 CV 1 ASSI { 151} (( segid "HID " and resid 633 and name HA )) ( segid "HID " and resid 633 and name HG1%) 2.800 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.49602E-02 ppm1 1.118 ppm2 3.899 CV 1 ASSI { 152} (( segid "HID " and resid 630 and name HA )) ( segid "HID " and resid 633 and name HG1%) 2.600 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.28141E-02 ppm1 1.116 ppm2 4.067 CV 1 ASSI { 154} (( segid "HID " and resid 628 and name HA )) ( segid "HID " and resid 628 and name HD1%) 2.500 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.48927E-02 ppm1 0.986 ppm2 4.149 CV 1 ASSI { 155} (( segid "HID " and resid 696 and name HA )) ( segid "HID " and resid 696 and name HG2%) 2.600 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.30369E-02 ppm1 0.991 ppm2 3.766 CV 1 ASSI { 156} (( segid "HID " and resid 696 and name HA )) ( segid "HID " and resid 696 and name HG1%) 2.600 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 1.046 ppm2 3.769 CV 1 ASSI { 157} (( segid "HID " and resid 666 and name HB2 )) ( segid "HID " and resid 630 and name HG2%) 3.800 1.800 1.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.10595E-02 ppm1 1.191 ppm2 3.018 CV 1 ASSI { 158} (( segid "HID " and resid 666 and name HB1 )) ( segid "HID " and resid 630 and name HG2%) 3.500 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.52639E-03 ppm1 1.192 ppm2 3.108 CV 1 ASSI { 162} (( segid "HID " and resid 654 and name HA )) ( segid "HID " and resid 654 and name HD1%) 2.400 0.700 0.700 peak 162 spectrum 1 weight 0.10000E+01 volume 0.56351E-02 ppm1 0.919 ppm2 4.484 CV 1 ASSI { 163} (( segid "HID " and resid 670 and name HA )) ( segid "HID " and resid 670 and name HD1%) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.50614E-02 ppm1 0.978 ppm2 4.531 CV 1 ASSI { 167} (( segid "HID " and resid 641 and name HA )) ( segid "HID " and resid 641 and name HD2%) 2.500 0.800 0.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 0.461 ppm2 3.581 CV 1 ASSI { 168} (( segid "HID " and resid 652 and name HB1 )) ( segid "HID " and resid 641 and name HD2%) 3.400 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.81995E-03 ppm1 0.462 ppm2 3.186 CV 1 ASSI { 169} (( segid "HID " and resid 652 and name HB2 )) ( segid "HID " and resid 641 and name HD2%) 3.900 1.900 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.10089E-02 ppm1 0.462 ppm2 3.014 CV 1 ASSI { 170} (( segid "HID " and resid 649 and name HG1 )) ( segid "HID " and resid 641 and name HD2%) 3.900 1.900 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.46228E-03 ppm1 0.462 ppm2 2.664 CV 1 ASSI { 171} (( segid "HID " and resid 649 and name HG2 )) ( segid "HID " and resid 641 and name HD2%) 2.700 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.23957E-02 ppm1 0.461 ppm2 2.208 CV 1 OR { 171} (( segid "HID " and resid 649 and name HB1 )) ( segid "HID " and resid 641 and name HD2%) ASSI { 172} (( segid "HID " and resid 689 and name HG2 )) ( segid "HID " and resid 641 and name HD2%) 2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.16467E-02 ppm1 0.464 ppm2 2.041 CV 1 ASSI { 173} (( segid "HID " and resid 641 and name HB1 )) ( segid "HID " and resid 641 and name HD2%) 2.700 0.900 0.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 0.462 ppm2 1.795 CV 1 ASSI { 174} (( segid "HID " and resid 714 and name HB1 )) ( segid "HID " and resid 620 and name HD2%) 3.300 1.300 1.300 peak 174 spectrum 1 weight 0.10000E+01 volume 0.96506E-03 ppm1 0.849 ppm2 3.087 CV 1 OR { 174} (( segid "HID " and resid 714 and name HB2 )) ( segid "HID " and resid 620 and name HD2%) ASSI { 175} (( segid "HID " and resid 686 and name HD2 )) ( segid "HID " and resid 658 and name HD1%) 3.100 3.100 2.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.62422E-03 ppm1 0.729 ppm2 3.153 CV 1 OR { 175} (( segid "HID " and resid 686 and name HD1 )) ( segid "HID " and resid 658 and name HD1%) ASSI { 176} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 696 and name HG1%) 4.000 2.000 2.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.53989E-03 ppm1 1.053 ppm2 3.600 CV 1 ASSI { 178} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 634 and name HD2%) 2.700 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 0.863 ppm2 3.572 CV 1 ASSI { 179} (( segid "HID " and resid 658 and name HA )) ( segid "HID " and resid 658 and name HD1%) 2.800 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.31887E-02 ppm1 0.731 ppm2 4.090 CV 1 ASSI { 181} (( segid "HID " and resid 694 and name HD2 )) ( segid "HID " and resid 693 and name HG1%) 3.700 1.700 1.700 peak 181 spectrum 1 weight 0.10000E+01 volume 0.15859E-02 ppm1 1.040 ppm2 3.442 CV 1 ASSI { 184} (( segid "HID " and resid 693 and name HA )) ( segid "HID " and resid 685 and name HD2%) 2.600 0.900 0.900 peak 184 spectrum 1 weight 0.10000E+01 volume 0.26758E-02 ppm1 0.732 ppm2 3.577 CV 1 ASSI { 185} (( segid "HID " and resid 685 and name HA )) ( segid "HID " and resid 685 and name HD2%) 2.400 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.44204E-02 ppm1 0.732 ppm2 3.709 CV 1 ASSI { 186} (( segid "HID " and resid 658 and name HA )) ( segid "HID " and resid 658 and name HD2%) 3.700 1.700 1.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.96843E-03 ppm1 0.718 ppm2 4.108 CV 1 ASSI { 190} (( segid "HID " and resid 689 and name HA )) ( segid "HID " and resid 693 and name HG1%) 4.100 2.100 1.900 peak 190 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 1.039 ppm2 4.414 CV 1 ASSI { 191} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 693 and name HG1%) 4.000 2.000 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.24565E-03 ppm1 1.037 ppm2 3.950 CV 1 ASSI { 192} (( segid "HID " and resid 707 and name HB1 )) ( segid "HID " and resid 624 and name HD1%) 2.700 0.900 0.900 peak 192 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 1.299 ppm2 3.532 CV 1 ASSI { 193} (( segid "HID " and resid 704 and name HA )) ( segid "HID " and resid 624 and name HD1%) 3.200 1.300 1.300 peak 193 spectrum 1 weight 0.10000E+01 volume 0.14645E-02 ppm1 1.303 ppm2 3.821 CV 1 ASSI { 194} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 639 and name HG2 )) 2.700 0.900 0.900 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31685E-02 ppm1 1.450 ppm2 3.992 CV 1 ASSI { 195} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HG2 )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.22372E-02 ppm1 1.450 ppm2 4.064 CV 1 ASSI { 197} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HG1 )) 2.900 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 1.597 ppm2 4.061 CV 1 ASSI { 199} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HG1 )) 3.100 1.200 1.200 peak 199 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 1.624 ppm2 4.403 CV 1 ASSI { 201} (( segid "HID " and resid 669 and name HA )) (( segid "HID " and resid 668 and name HG1 )) 3.400 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.98866E-03 ppm1 1.623 ppm2 4.205 CV 1 ASSI { 207} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 724 and name HG1 )) 3.700 1.700 1.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.50952E-03 ppm1 1.258 ppm2 4.053 CV 1 OR { 207} (( segid "HID " and resid 720 and name HA )) (( segid "HID " and resid 724 and name HG2 )) ASSI { 209} (( segid "HID " and resid 639 and name HA )) (( segid "HID " and resid 639 and name HG1 )) 2.500 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.41504E-02 ppm1 1.564 ppm2 3.976 CV 1 ASSI { 210} (( segid "HID " and resid 640 and name HA )) (( segid "HID " and resid 640 and name HG2 )) 3.300 1.300 1.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.80308E-03 ppm1 1.306 ppm2 3.971 CV 1 ASSI { 212} (( segid "HID " and resid 727 and name HA )) ( segid "HID " and resid 727 and name HD1%) 4.400 2.400 1.600 peak 212 spectrum 1 weight 0.10000E+01 volume 0.52302E-03 ppm1 0.898 ppm2 4.305 CV 1 ASSI { 213} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 641 and name HD1%) 2.600 0.900 0.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.31044E-02 ppm1 0.629 ppm2 3.937 CV 1 ASSI { 215} (( segid "HID " and resid 641 and name HA )) ( segid "HID " and resid 644 and name HD2%) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.31583E-02 ppm1 0.669 ppm2 3.583 CV 1 ASSI { 219} (( segid "HID " and resid 692 and name HA )) ( segid "HID " and resid 685 and name HD2%) 4.200 2.200 1.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.56013E-03 ppm1 0.729 ppm2 4.046 CV 1 ASSI { 220} (( segid "HID " and resid 677 and name HE1 )) (( segid "HID " and resid 677 and name HG2 )) 2.400 0.700 0.700 peak 220 spectrum 1 weight 0.10000E+01 volume 0.52976E-02 ppm1 1.564 ppm2 2.955 CV 1 OR { 220} (( segid "HID " and resid 677 and name HE2 )) (( segid "HID " and resid 677 and name HG2 )) ASSI { 221} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HG1 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.34418E-02 ppm1 1.443 ppm2 2.942 CV 1 OR { 221} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 716 and name HG1 )) ASSI { 222} (( segid "HID " and resid 707 and name HB2 )) ( segid "HID " and resid 624 and name HD1%) 3.200 1.300 1.300 peak 222 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 1.301 ppm2 3.081 CV 1 ASSI { 224} (( segid "HID " and resid 624 and name HA )) ( segid "HID " and resid 624 and name HD1%) 2.400 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 1.301 ppm2 4.206 CV 1 ASSI { 226} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 687 and name HG1 )) 3.200 1.300 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.90430E-03 ppm1 1.568 ppm2 4.225 CV 1 ASSI { 231} (( segid "HID " and resid 707 and name HB2 )) ( segid "HID " and resid 624 and name HD2%) 3.900 1.900 1.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.11135E-02 ppm1 0.923 ppm2 3.085 CV 1 ASSI { 232} (( segid "HID " and resid 686 and name HD2 )) ( segid "HID " and resid 658 and name HD2%) 2.900 2.900 3.100 peak 232 spectrum 1 weight 0.10000E+01 volume 0.90430E-03 ppm1 0.712 ppm2 3.141 CV 1 OR { 232} (( segid "HID " and resid 686 and name HD1 )) ( segid "HID " and resid 658 and name HD2%) ASSI { 234} (( segid "HID " and resid 652 and name HB1 )) ( segid "HID " and resid 644 and name HD2%) 3.300 1.300 1.300 peak 234 spectrum 1 weight 0.10000E+01 volume 0.47578E-03 ppm1 0.675 ppm2 3.159 CV 1 ASSI { 235} (( segid "HID " and resid 682 and name HA )) ( segid "HID " and resid 685 and name HD1%) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.30132E-02 ppm1 0.808 ppm2 3.522 CV 1 ASSI { 236} (( segid "HID " and resid 685 and name HA )) ( segid "HID " and resid 685 and name HD1%) 3.900 1.900 1.900 peak 236 spectrum 1 weight 0.10000E+01 volume 0.11236E-02 ppm1 0.815 ppm2 3.713 CV 1 ASSI { 237} (( segid "HID " and resid 631 and name HA )) ( segid "HID " and resid 634 and name HD1%) 3.600 1.600 1.600 peak 237 spectrum 1 weight 0.10000E+01 volume 0.92118E-03 ppm1 0.828 ppm2 3.410 CV 1 ASSI { 240} (( segid "HID " and resid 624 and name HA )) ( segid "HID " and resid 624 and name HD2%) 2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.55338E-02 ppm1 0.926 ppm2 4.155 CV 1 ASSI { 244} (( segid "HID " and resid 689 and name HA )) ( segid "HID " and resid 654 and name HD2%) 3.600 1.600 1.600 peak 244 spectrum 1 weight 0.10000E+01 volume 0.84355E-03 ppm1 0.874 ppm2 4.436 CV 1 ASSI { 245} (( segid "HID " and resid 644 and name HA )) ( segid "HID " and resid 644 and name HD2%) 3.400 1.400 1.400 peak 245 spectrum 1 weight 0.10000E+01 volume 0.81995E-03 ppm1 0.670 ppm2 4.604 CV 1 ASSI { 246} (( segid "HID " and resid 668 and name HE2 )) (( segid "HID " and resid 668 and name HG1 )) 3.300 1.300 1.300 peak 246 spectrum 1 weight 0.10000E+01 volume 0.16703E-02 ppm1 1.587 ppm2 2.890 CV 1 OR { 246} (( segid "HID " and resid 668 and name HE1 )) (( segid "HID " and resid 668 and name HG1 )) ASSI { 253} (( segid "HID " and resid 641 and name HA )) (( segid "HID " and resid 644 and name HG )) 3.900 1.900 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.31685E-03 ppm1 1.905 ppm2 3.588 CV 1 ASSI { 256} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 617 and name HG2 )) 2.700 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.27602E-02 ppm1 1.343 ppm2 3.943 CV 1 OR { 256} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 617 and name HG1 )) ASSI { 257} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 641 and name HG )) 2.900 1.000 1.000 peak 257 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 1.404 ppm2 3.965 CV 1 ASSI { 258} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 685 and name HG )) 3.200 1.300 1.300 peak 258 spectrum 1 weight 0.10000E+01 volume 0.16197E-02 ppm1 1.644 ppm2 3.954 CV 1 ASSI { 261} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 634 and name HD1%) 3.300 1.300 1.300 peak 261 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 0.835 ppm2 4.105 CV 1 ASSI { 263} (( segid "HID " and resid 689 and name HB1 )) ( segid "HID " and resid 693 and name HG1%) 3.900 1.900 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 1.039 ppm2 2.888 CV 1 ASSI { 264} (( segid "HID " and resid 701 and name HE2 )) ( segid "HID " and resid 697 and name HD1%) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.15353E-02 ppm1 0.900 ppm2 2.863 CV 1 OR { 264} (( segid "HID " and resid 701 and name HE1 )) ( segid "HID " and resid 697 and name HD1%) ASSI { 265} (( segid "HID " and resid 715 and name HB2 )) ( segid "HID " and resid 624 and name HD2%) 2.700 2.700 3.300 peak 265 spectrum 1 weight 0.10000E+01 volume 0.16062E-02 ppm1 0.927 ppm2 2.863 CV 1 OR { 265} (( segid "HID " and resid 715 and name HB1 )) ( segid "HID " and resid 624 and name HD2%) ASSI { 266} (( segid "HID " and resid 643 and name HD2 )) (( segid "HID " and resid 643 and name HG1 )) 2.500 0.800 0.800 peak 266 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 1.777 ppm2 3.202 CV 1 OR { 266} (( segid "HID " and resid 643 and name HD1 )) (( segid "HID " and resid 643 and name HG1 )) ASSI { 267} (( segid "HID " and resid 643 and name HD1 )) (( segid "HID " and resid 643 and name HG2 )) 2.300 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.71872E-02 ppm1 1.694 ppm2 3.200 CV 1 OR { 267} (( segid "HID " and resid 643 and name HD2 )) (( segid "HID " and resid 643 and name HG2 )) ASSI { 270} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HG2 )) 2.600 0.800 0.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.26117E-02 ppm1 1.700 ppm2 4.411 CV 1 ASSI { 272} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HG1 )) 3.200 1.300 1.300 peak 272 spectrum 1 weight 0.10000E+01 volume 0.17648E-02 ppm1 1.777 ppm2 4.419 CV 1 ASSI { 273} (( segid "HID " and resid 719 and name HD1 )) (( segid "HID " and resid 719 and name HG1 )) 2.400 0.700 0.700 peak 273 spectrum 1 weight 0.10000E+01 volume 0.53989E-02 ppm1 1.642 ppm2 3.153 CV 1 OR { 273} (( segid "HID " and resid 719 and name HD2 )) (( segid "HID " and resid 719 and name HG1 )) ASSI { 278} (( segid "HID " and resid 610 and name HA )) (( segid "HID " and resid 610 and name HG11)) 3.500 1.500 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.75583E-03 ppm1 1.286 ppm2 4.087 CV 1 ASSI { 279} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 691 and name HG12)) 2.900 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 1.337 ppm2 4.215 CV 1 ASSI { 281} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 691 and name HG11)) 3.000 1.200 1.200 peak 281 spectrum 1 weight 0.10000E+01 volume 0.20685E-02 ppm1 1.546 ppm2 4.216 CV 1 ASSI { 282} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 719 and name HG1 )) 2.900 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.15826E-02 ppm1 1.648 ppm2 4.075 CV 1 ASSI { 284} (( segid "HID " and resid 690 and name HA )) (( segid "HID " and resid 643 and name HG1 )) 3.200 3.200 2.800 peak 284 spectrum 1 weight 0.10000E+01 volume 0.57700E-03 ppm1 1.807 ppm2 4.071 CV 1 ASSI { 285} (( segid "HID " and resid 642 and name HB1 )) (( segid "HID " and resid 643 and name HG1 )) 3.800 1.800 1.800 peak 285 spectrum 1 weight 0.10000E+01 volume 0.40829E-03 ppm1 1.780 ppm2 3.988 CV 1 OR { 285} (( segid "HID " and resid 642 and name HB2 )) (( segid "HID " and resid 643 and name HG1 )) ASSI { 286} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 653 and name HG2 )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.14206E-02 ppm1 1.696 ppm2 3.961 CV 1 OR { 286} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 653 and name HG1 )) ASSI { 290} (( segid "HID " and resid 697 and name HA )) ( segid "HID " and resid 700 and name HD2%) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 0.819 ppm2 3.928 CV 1 ASSI { 291} (( segid "HID " and resid 631 and name HA )) ( segid "HID " and resid 700 and name HD2%) 4.100 2.100 1.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.35767E-03 ppm1 0.823 ppm2 3.390 CV 1 ASSI { 292} (( segid "HID " and resid 630 and name HB )) ( segid "HID " and resid 700 and name HD2%) 3.700 1.700 1.700 peak 292 spectrum 1 weight 0.10000E+01 volume 0.41841E-03 ppm1 0.817 ppm2 4.267 CV 1 ASSI { 295} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 665 and name HG11)) 3.300 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 1.406 ppm2 3.740 CV 1 ASSI { 296} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 665 and name HG12)) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.70858E-03 ppm1 1.121 ppm2 3.732 CV 1 ASSI { 299} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HG2 )) 2.800 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.23317E-02 ppm1 1.651 ppm2 4.149 CV 1 OR { 299} (( segid "HID " and resid 712 and name HA )) (( segid "HID " and resid 712 and name HG1 )) ASSI { 301} (( segid "HID " and resid 632 and name HD1 )) (( segid "HID " and resid 632 and name HG1 )) 2.400 0.700 0.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 1.894 ppm2 3.261 CV 1 ASSI { 302} (( segid "HID " and resid 632 and name HD2 )) (( segid "HID " and resid 632 and name HG1 )) 2.400 0.700 0.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.45553E-02 ppm1 1.893 ppm2 3.172 CV 1 ASSI { 303} (( segid "HID " and resid 667 and name HD1 )) (( segid "HID " and resid 667 and name HG2 )) 2.300 0.600 0.600 peak 303 spectrum 1 weight 0.10000E+01 volume 0.71200E-02 ppm1 1.490 ppm2 3.191 CV 1 OR { 303} (( segid "HID " and resid 667 and name HD2 )) (( segid "HID " and resid 667 and name HG2 )) ASSI { 305} (( segid "HID " and resid 677 and name HE2 )) (( segid "HID " and resid 677 and name HD2 )) 3.000 1.100 1.100 peak 305 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 1.638 ppm2 2.967 CV 1 OR { 305} (( segid "HID " and resid 677 and name HE1 )) (( segid "HID " and resid 677 and name HD2 )) ASSI { 306} (( segid "HID " and resid 677 and name HE1 )) (( segid "HID " and resid 677 and name HD1 )) 3.100 1.200 1.200 peak 306 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 1.730 ppm2 2.968 CV 1 OR { 306} (( segid "HID " and resid 677 and name HE2 )) (( segid "HID " and resid 677 and name HD1 )) ASSI { 309} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 694 and name HG2 )) 3.100 1.200 1.200 peak 309 spectrum 1 weight 0.10000E+01 volume 0.17243E-02 ppm1 2.009 ppm2 3.582 CV 1 ASSI { 310} (( segid "HID " and resid 694 and name HD2 )) (( segid "HID " and resid 694 and name HG2 )) 2.800 0.900 0.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 2.005 ppm2 3.441 CV 1 ASSI { 316} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 671 and name HB2 )) 3.100 1.200 1.200 peak 316 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 2.080 ppm2 4.147 CV 1 ASSI { 317} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 671 and name HB2 )) 2.900 1.100 1.100 peak 317 spectrum 1 weight 0.10000E+01 volume 0.13936E-02 ppm1 2.079 ppm2 4.066 CV 1 ASSI { 319} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 708 and name HB2 )) 2.600 0.800 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.28648E-02 ppm1 1.914 ppm2 4.001 CV 1 ASSI { 321} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HD2 )) 3.700 1.700 1.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13970E-02 ppm1 1.708 ppm2 4.398 CV 1 OR { 321} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HD1 )) ASSI { 322} (( segid "HID " and resid 724 and name HA )) (( segid "HID " and resid 724 and name HD1 )) 4.200 2.200 1.800 peak 322 spectrum 1 weight 0.10000E+01 volume 0.52302E-03 ppm1 1.587 ppm2 4.132 CV 1 OR { 322} (( segid "HID " and resid 724 and name HA )) (( segid "HID " and resid 724 and name HD2 )) ASSI { 323} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HD1 )) 3.100 1.200 1.200 peak 323 spectrum 1 weight 0.10000E+01 volume 0.20583E-02 ppm1 1.646 ppm2 4.072 CV 1 OR { 323} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HD2 )) ASSI { 325} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 698 and name HD1 )) 3.200 1.300 1.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.94819E-03 ppm1 1.721 ppm2 3.779 CV 1 OR { 325} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 698 and name HD2 )) ASSI { 326} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 647 and name HB2 )) 2.500 0.800 0.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.55001E-02 ppm1 1.961 ppm2 4.083 CV 1 ASSI { 327} (( segid "HID " and resid 647 and name HA )) (( segid "HID " and resid 647 and name HB1 )) 2.500 0.800 0.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.46228E-02 ppm1 2.096 ppm2 4.089 CV 1 ASSI { 338} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 719 and name HB1 )) 2.800 1.000 1.000 peak 338 spectrum 1 weight 0.10000E+01 volume 0.22642E-02 ppm1 1.812 ppm2 4.185 CV 1 OR { 338} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 719 and name HB2 )) ASSI { 340} (( segid "HID " and resid 643 and name HD2 )) (( segid "HID " and resid 643 and name HB2 )) 2.900 1.100 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.22405E-02 ppm1 1.779 ppm2 3.196 CV 1 OR { 340} (( segid "HID " and resid 643 and name HD1 )) (( segid "HID " and resid 643 and name HB2 )) ASSI { 342} (( segid "HID " and resid 686 and name HD1 )) (( segid "HID " and resid 686 and name HB1 )) 2.500 0.800 0.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 1.917 ppm2 3.164 CV 1 OR { 342} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 686 and name HB1 )) OR { 342} (( segid "HID " and resid 686 and name HD1 )) (( segid "HID " and resid 686 and name HB2 )) OR { 342} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 686 and name HB2 )) ASSI { 343} (( segid "HID " and resid 712 and name HD1 )) (( segid "HID " and resid 712 and name HB2 )) 2.400 0.700 0.700 peak 343 spectrum 1 weight 0.10000E+01 volume 0.59048E-02 ppm1 1.909 ppm2 3.227 CV 1 OR { 343} (( segid "HID " and resid 712 and name HD2 )) (( segid "HID " and resid 712 and name HB2 )) ASSI { 346} (( segid "HID " and resid 617 and name HA )) (( segid "HID " and resid 617 and name HB1 )) 3.600 1.600 1.600 peak 346 spectrum 1 weight 0.10000E+01 volume 0.84697E-03 ppm1 1.583 ppm2 3.941 CV 1 ASSI { 349} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 667 and name HB1 )) 3.200 1.300 1.300 peak 349 spectrum 1 weight 0.10000E+01 volume 0.97857E-03 ppm1 1.894 ppm2 3.755 CV 1 OR { 349} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 667 and name HB2 )) ASSI { 350} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 705 and name HB2 )) 2.300 0.600 0.600 peak 350 spectrum 1 weight 0.10000E+01 volume 0.85033E-02 ppm1 2.094 ppm2 4.008 CV 1 OR { 350} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 705 and name HB1 )) ASSI { 355} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HB1 )) 2.600 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 2.075 ppm2 4.412 CV 1 ASSI { 356} (( segid "HID " and resid 612 and name HD2 )) (( segid "HID " and resid 612 and name HB2 )) 3.100 1.200 1.200 peak 356 spectrum 1 weight 0.10000E+01 volume 0.14476E-02 ppm1 1.685 ppm2 3.111 CV 1 OR { 356} (( segid "HID " and resid 612 and name HD1 )) (( segid "HID " and resid 612 and name HB2 )) ASSI { 357} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 682 and name HG11)) 3.500 1.500 1.500 peak 357 spectrum 1 weight 0.10000E+01 volume 0.80980E-03 ppm1 1.761 ppm2 3.523 CV 1 ASSI { 358} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 694 and name HB2 )) 4.100 2.100 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.50277E-03 ppm1 1.864 ppm2 3.591 CV 1 ASSI { 361} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 648 and name HB2 )) 3.100 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 2.123 ppm2 4.086 CV 1 ASSI { 362} (( segid "HID " and resid 689 and name HB1 )) (( segid "HID " and resid 689 and name HB2 )) 2.200 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.35767E-02 ppm1 1.805 ppm2 2.878 CV 1 ASSI { 365} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 639 and name HB2 )) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.44541E-02 ppm1 1.909 ppm2 4.214 CV 1 OR { 365} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 639 and name HB1 )) ASSI { 366} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 668 and name HB2 )) 2.500 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 1.827 ppm2 4.056 CV 1 ASSI { 370} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 664 and name HB )) 2.400 0.700 0.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.47240E-02 ppm1 2.057 ppm2 3.750 CV 1 ASSI { 372} (( segid "HID " and resid 633 and name HA )) (( segid "HID " and resid 633 and name HB )) 2.700 0.900 0.900 peak 372 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 2.095 ppm2 3.891 CV 1 ASSI { 373} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 717 and name HB )) 2.700 0.900 0.900 peak 373 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 2.075 ppm2 3.976 CV 1 ASSI { 374} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HB1 )) 2.000 0.500 0.500 peak 374 spectrum 1 weight 0.10000E+01 volume 0.16230E-01 ppm1 1.955 ppm2 3.974 CV 1 OR { 374} (( segid "HID " and resid 698 and name HA )) (( segid "HID " and resid 698 and name HB2 )) ASSI { 381} (( segid "HID " and resid 728 and name HA )) (( segid "HID " and resid 728 and name HB2 )) 3.900 1.900 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.34080E-03 ppm1 1.783 ppm2 4.346 CV 1 ASSI { 383} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HB1 )) 3.100 1.200 1.200 peak 383 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 2.040 ppm2 4.402 CV 1 ASSI { 384} (( segid "HID " and resid 653 and name HD2 )) (( segid "HID " and resid 653 and name HB1 )) 3.600 1.600 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.71536E-03 ppm1 1.842 ppm2 3.224 CV 1 ASSI { 387} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HB2 )) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.16433E-02 ppm1 1.823 ppm2 4.405 CV 1 ASSI { 388} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HB2 )) 3.700 1.700 1.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.60399E-03 ppm1 1.819 ppm2 4.093 CV 1 ASSI { 398} (( segid "HID " and resid 705 and name HA )) (( segid "HID " and resid 705 and name HG2 )) 2.700 0.900 0.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.29053E-02 ppm1 2.293 ppm2 4.017 CV 1 ASSI { 399} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 709 and name HG2 )) 2.900 1.100 1.100 peak 399 spectrum 1 weight 0.10000E+01 volume 0.20347E-02 ppm1 2.362 ppm2 4.044 CV 1 OR { 399} (( segid "HID " and resid 706 and name HA )) (( segid "HID " and resid 709 and name HG1 )) ASSI { 400} (( segid "HID " and resid 679 and name HA )) (( segid "HID " and resid 682 and name HB )) 2.800 1.000 1.000 peak 400 spectrum 1 weight 0.10000E+01 volume 0.18761E-02 ppm1 1.849 ppm2 3.959 CV 1 ASSI { 401} (( segid "HID " and resid 665 and name HA )) (( segid "HID " and resid 665 and name HB )) 2.800 1.000 1.000 peak 401 spectrum 1 weight 0.10000E+01 volume 0.18356E-02 ppm1 1.666 ppm2 3.735 CV 1 ASSI { 402} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 682 and name HB )) 3.500 1.500 1.500 peak 402 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 1.854 ppm2 3.522 CV 1 ASSI { 403} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 635 and name HG2 )) 2.700 0.900 0.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.21629E-02 ppm1 2.155 ppm2 3.916 CV 1 ASSI { 404} (( segid "HID " and resid 692 and name HA )) (( segid "HID " and resid 695 and name HB )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.12519E-02 ppm1 2.021 ppm2 4.053 CV 1 ASSI { 408} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 637 and name HB )) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.15319E-02 ppm1 2.132 ppm2 4.107 CV 1 ASSI { 409} (( segid "HID " and resid 610 and name HA )) (( segid "HID " and resid 610 and name HB )) 3.000 1.100 1.100 peak 409 spectrum 1 weight 0.10000E+01 volume 0.14341E-02 ppm1 1.721 ppm2 4.083 CV 1 ASSI { 410} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 691 and name HB )) 3.100 1.200 1.200 peak 410 spectrum 1 weight 0.10000E+01 volume 0.11506E-02 ppm1 1.807 ppm2 4.209 CV 1 ASSI { 413} (( segid "SID " and resid 220 and name HA )) ( segid "HID " and resid 681 and name HD1%) 3.700 1.700 1.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.49602E-03 ppm1 0.206 ppm2 3.884 CV 1 ASSI { 414} (( segid "HID " and resid 681 and name HA )) ( segid "HID " and resid 681 and name HD1%) 2.400 0.700 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 0.203 ppm2 3.472 CV 1 ASSI { 415} (( segid "SID " and resid 219 and name HB1 )) ( segid "HID " and resid 681 and name HD1%) 3.500 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.52976E-03 ppm1 0.202 ppm2 3.075 CV 1 ASSI { 417} (( segid "HID " and resid 658 and name HA )) (( segid "HID " and resid 658 and name HB2 )) 3.300 1.300 1.300 peak 417 spectrum 1 weight 0.10000E+01 volume 0.81659E-03 ppm1 1.545 ppm2 4.094 CV 1 ASSI { 419} (( segid "HID " and resid 691 and name HA )) ( segid "HID " and resid 691 and name HD1%) 3.000 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 0.835 ppm2 4.211 CV 1 ASSI { 420} (( segid "SID " and resid 223 and name HA )) ( segid "HID " and resid 691 and name HD1%) 4.200 2.200 1.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.74910E-03 ppm1 0.831 ppm2 4.058 CV 1 ASSI { 423} (( segid "HID " and resid 691 and name HB )) ( segid "HID " and resid 691 and name HD1%) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.20651E-02 ppm1 0.834 ppm2 1.807 CV 1 ASSI { 424} (( segid "HID " and resid 691 and name HG11)) ( segid "HID " and resid 691 and name HD1%) 2.400 0.700 0.700 peak 424 spectrum 1 weight 0.10000E+01 volume 0.49602E-02 ppm1 0.833 ppm2 1.535 CV 1 ASSI { 425} (( segid "HID " and resid 691 and name HG12)) ( segid "HID " and resid 691 and name HD1%) 2.500 0.800 0.800 peak 425 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 0.834 ppm2 1.336 CV 1 ASSI { 429} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 670 and name HB2 )) 3.500 1.500 1.500 peak 429 spectrum 1 weight 0.10000E+01 volume 0.53651E-03 ppm1 1.432 ppm2 4.539 CV 1 ASSI { 433} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 641 and name HB1 )) 3.400 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.17479E-02 ppm1 1.776 ppm2 3.935 CV 1 ASSI { 436} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 685 and name HB2 )) 3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.53651E-03 ppm1 1.238 ppm2 3.524 CV 1 ASSI { 437} (( segid "HID " and resid 685 and name HA )) (( segid "HID " and resid 685 and name HB2 )) 3.700 1.700 1.700 peak 437 spectrum 1 weight 0.10000E+01 volume 0.54326E-03 ppm1 1.242 ppm2 3.714 CV 1 ASSI { 440} (( segid "HID " and resid 694 and name HA )) (( segid "HID " and resid 697 and name HB2 )) 2.700 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.26691E-02 ppm1 1.673 ppm2 4.199 CV 1 OR { 440} (( segid "HID " and resid 694 and name HA )) (( segid "HID " and resid 697 and name HB1 )) ASSI { 441} (( segid "HID " and resid 697 and name HA )) (( segid "HID " and resid 697 and name HB2 )) 2.500 0.800 0.800 peak 441 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 1.673 ppm2 3.927 CV 1 OR { 441} (( segid "HID " and resid 697 and name HA )) (( segid "HID " and resid 697 and name HB1 )) ASSI { 442} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 624 and name HB2 )) 3.300 1.400 1.400 peak 442 spectrum 1 weight 0.10000E+01 volume 0.80308E-03 ppm1 1.604 ppm2 4.216 CV 1 ASSI { 445} (( segid "HID " and resid 685 and name HA )) (( segid "HID " and resid 685 and name HB1 )) 3.300 1.400 1.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.56351E-03 ppm1 2.078 ppm2 3.712 CV 1 ASSI { 446} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 624 and name HB1 )) 3.800 1.800 1.800 peak 446 spectrum 1 weight 0.10000E+01 volume 0.27433E-03 ppm1 2.112 ppm2 4.196 CV 1 ASSI { 447} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 670 and name HB1 )) 3.900 1.900 1.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.30538E-03 ppm1 2.095 ppm2 4.542 CV 1 ASSI { 448} (( segid "HID " and resid 610 and name HA )) ( segid "HID " and resid 610 and name HD1%) 3.400 1.500 1.500 peak 448 spectrum 1 weight 0.10000E+01 volume 0.93805E-03 ppm1 0.777 ppm2 4.083 CV 1 ASSI { 449} (( segid "HID " and resid 682 and name HA )) ( segid "HID " and resid 682 and name HD1%) 2.900 1.100 1.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.22169E-02 ppm1 0.843 ppm2 3.523 CV 1 ASSI { 450} (( segid "HID " and resid 667 and name HD1 )) ( segid "HID " and resid 682 and name HD1%) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.89080E-03 ppm1 0.849 ppm2 3.194 CV 1 OR { 450} (( segid "HID " and resid 667 and name HD2 )) ( segid "HID " and resid 682 and name HD1%) ASSI { 451} (( segid "HID " and resid 665 and name HA )) ( segid "HID " and resid 665 and name HD1%) 3.700 1.700 1.700 peak 451 spectrum 1 weight 0.10000E+01 volume 0.14712E-02 ppm1 0.806 ppm2 3.735 CV 1 ASSI { 452} (( segid "HID " and resid 667 and name HA )) ( segid "HID " and resid 682 and name HD1%) 2.600 0.900 0.900 peak 452 spectrum 1 weight 0.10000E+01 volume 0.32899E-02 ppm1 0.844 ppm2 3.884 CV 1 ASSI { 456} (( segid "HID " and resid 662 and name HA )) ( segid "HID " and resid 665 and name HD1%) 3.900 1.900 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.43866E-03 ppm1 0.802 ppm2 4.517 CV 1 ASSI { 458} (( segid "HID " and resid 637 and name HA )) ( segid "HID " and resid 637 and name HD1%) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.13025E-02 ppm1 0.929 ppm2 3.724 CV 1 ASSI { 464} (( segid "HID " and resid 701 and name HE1 )) ( segid "HID " and resid 631 and name HD1%) 3.800 1.800 1.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.38467E-03 ppm1 0.749 ppm2 2.856 CV 1 OR { 464} (( segid "HID " and resid 701 and name HE2 )) ( segid "HID " and resid 631 and name HD1%) ASSI { 471} (( segid "HID " and resid 695 and name HA )) ( segid "HID " and resid 695 and name HD1%) 3.700 1.700 1.700 peak 471 spectrum 1 weight 0.10000E+01 volume 0.14881E-02 ppm1 0.878 ppm2 3.785 CV 1 ASSI { 474} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 654 and name HB1 )) 4.400 2.400 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.52639E-03 ppm1 1.741 ppm2 3.999 CV 1 ASSI { 475} (( segid "HID " and resid 700 and name HA )) ( segid "HID " and resid 673 and name HD1%) 3.300 1.400 1.400 peak 475 spectrum 1 weight 0.10000E+01 volume 0.76597E-03 ppm1 0.679 ppm2 3.954 CV 1 ASSI { 476} (( segid "HID " and resid 670 and name HA )) ( segid "HID " and resid 673 and name HD1%) 3.800 1.800 1.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.39142E-03 ppm1 0.674 ppm2 4.528 CV 1 ASSI { 477} (( segid "HID " and resid 695 and name HA )) ( segid "HID " and resid 695 and name HG2%) 2.600 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.33135E-02 ppm1 0.909 ppm2 3.785 CV 1 ASSI { 483} (( segid "SID " and resid 219 and name HB2 )) ( segid "HID " and resid 695 and name HG2%) 3.300 1.400 1.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.13464E-02 ppm1 0.908 ppm2 2.385 CV 1 ASSI { 484} (( segid "HID " and resid 699 and name HB1 )) ( segid "HID " and resid 695 and name HG2%) 3.800 1.800 1.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.60063E-03 ppm1 0.906 ppm2 2.288 CV 1 OR { 484} (( segid "HID " and resid 699 and name HB2 )) ( segid "HID " and resid 695 and name HG2%) ASSI { 486} (( segid "HID " and resid 695 and name HB )) ( segid "HID " and resid 695 and name HG2%) 2.300 0.600 0.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 0.907 ppm2 2.021 CV 1 ASSI { 487} (( segid "HID " and resid 695 and name HG11)) ( segid "HID " and resid 695 and name HG2%) 3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.39142E-02 ppm1 0.907 ppm2 1.741 CV 1 ASSI { 488} (( segid "HID " and resid 695 and name HG12)) ( segid "HID " and resid 695 and name HG2%) 2.600 0.900 0.900 peak 488 spectrum 1 weight 0.10000E+01 volume 0.25915E-02 ppm1 0.909 ppm2 1.343 CV 1 ASSI { 490} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 695 and name HG2%) 3.600 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.53651E-03 ppm1 0.910 ppm2 0.204 CV 1 ASSI { 494} (( segid "HID " and resid 665 and name HA )) ( segid "HID " and resid 665 and name HG2%) 2.700 0.900 0.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.25982E-02 ppm1 0.747 ppm2 3.730 CV 1 ASSI { 496} (( segid "HID " and resid 610 and name HA )) ( segid "HID " and resid 610 and name HG2%) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.28648E-02 ppm1 0.754 ppm2 4.082 CV 1 ASSI { 497} (( segid "HID " and resid 626 and name HB )) ( segid "HID " and resid 665 and name HG2%) 3.900 1.900 1.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.89422E-03 ppm1 0.746 ppm2 4.268 CV 1 ASSI { 498} (( segid "HID " and resid 666 and name HA )) ( segid "HID " and resid 665 and name HG2%) 3.600 1.600 1.600 peak 498 spectrum 1 weight 0.10000E+01 volume 0.28749E-03 ppm1 0.746 ppm2 4.756 CV 1 ASSI { 499} (( segid "HID " and resid 681 and name HA )) ( segid "HID " and resid 681 and name HG2%) 2.500 0.800 0.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 0.522 ppm2 3.478 CV 1 ASSI { 501} (( segid "HID " and resid 681 and name HB )) ( segid "HID " and resid 681 and name HG2%) 2.400 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 0.523 ppm2 1.787 CV 1 ASSI { 504} (( segid "HID " and resid 686 and name HD1 )) ( segid "HID " and resid 682 and name HG2%) 2.800 1.000 1.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.21393E-02 ppm1 0.916 ppm2 3.169 CV 1 OR { 504} (( segid "HID " and resid 686 and name HD2 )) ( segid "HID " and resid 682 and name HG2%) ASSI { 507} (( segid "HID " and resid 699 and name HA )) ( segid "HID " and resid 702 and name HE% ) 3.300 1.300 1.300 peak 507 spectrum 1 weight 0.10000E+01 volume 0.87735E-03 ppm1 2.063 ppm2 3.928 CV 1 ASSI { 508} (( segid "HID " and resid 702 and name HA )) ( segid "HID " and resid 702 and name HE% ) 5.100 3.200 0.900 peak 508 spectrum 1 weight 0.10000E+01 volume 0.25510E-03 ppm1 2.067 ppm2 4.141 CV 1 ASSI { 509} (( segid "HID " and resid 699 and name HD1 )) ( segid "HID " and resid 702 and name HE% ) 3.700 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.50614E-03 ppm1 2.062 ppm2 3.112 CV 1 ASSI { 510} (( segid "HID " and resid 703 and name HE1 )) ( segid "HID " and resid 702 and name HE% ) 3.200 3.200 2.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.60063E-03 ppm1 2.061 ppm2 2.900 CV 1 ASSI { 511} (( segid "HID " and resid 702 and name HG1 )) ( segid "HID " and resid 702 and name HE% ) 3.000 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.24126E-02 ppm1 2.063 ppm2 2.742 CV 1 ASSI { 512} (( segid "HID " and resid 702 and name HG2 )) ( segid "HID " and resid 702 and name HE% ) 2.900 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.18525E-02 ppm1 2.063 ppm2 2.528 CV 1 ASSI { 513} (( segid "HID " and resid 701 and name HE1 )) ( segid "HID " and resid 631 and name HG2%) 2.900 1.000 1.000 peak 513 spectrum 1 weight 0.10000E+01 volume 0.18424E-02 ppm1 0.824 ppm2 2.852 CV 1 OR { 513} (( segid "HID " and resid 701 and name HE2 )) ( segid "HID " and resid 631 and name HG2%) ASSI { 514} (( segid "HID " and resid 635 and name HG1 )) ( segid "HID " and resid 631 and name HG2%) 2.700 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.22405E-02 ppm1 0.826 ppm2 2.596 CV 1 ASSI { 515} (( segid "HID " and resid 631 and name HB )) ( segid "HID " and resid 631 and name HG2%) 2.200 0.600 0.600 peak 515 spectrum 1 weight 0.10000E+01 volume 0.67147E-02 ppm1 0.827 ppm2 2.197 CV 1 ASSI { 517} (( segid "HID " and resid 675 and name HA )) ( segid "HID " and resid 675 and name HB% ) 2.300 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.75919E-02 ppm1 1.689 ppm2 4.291 CV 1 ASSI { 518} (( segid "HID " and resid 636 and name HA )) ( segid "HID " and resid 636 and name HB% ) 2.000 0.500 0.500 peak 518 spectrum 1 weight 0.10000E+01 volume 0.15961E-01 ppm1 1.624 ppm2 4.211 CV 1 ASSI { 521} (( segid "HID " and resid 671 and name HA )) ( segid "HID " and resid 678 and name HB% ) 2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.76597E-02 ppm1 1.447 ppm2 4.144 CV 1 ASSI { 522} (( segid "HID " and resid 678 and name HA )) ( segid "HID " and resid 678 and name HB% ) 2.400 0.700 0.700 peak 522 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 1.445 ppm2 3.523 CV 1 ASSI { 525} (( segid "HID " and resid 626 and name HA )) ( segid "HID " and resid 629 and name HB% ) 2.600 0.900 0.900 peak 525 spectrum 1 weight 0.10000E+01 volume 0.32157E-02 ppm1 1.631 ppm2 3.992 CV 1 ASSI { 526} (( segid "HID " and resid 707 and name HA )) ( segid "HID " and resid 710 and name HB% ) 2.600 0.800 0.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 1.587 ppm2 4.713 CV 1 ASSI { 527} (( segid "HID " and resid 675 and name HA )) ( segid "HID " and resid 678 and name HB% ) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.11979E-02 ppm1 1.445 ppm2 4.298 CV 1 ASSI { 531} (( segid "HID " and resid 676 and name HA )) ( segid "HID " and resid 675 and name HB% ) 3.800 1.800 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.50614E-03 ppm1 1.690 ppm2 4.547 CV 1 ASSI { 532} (( segid "HID " and resid 674 and name HA )) ( segid "HID " and resid 675 and name HB% ) 4.800 2.900 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.20718E-03 ppm1 1.677 ppm2 4.671 CV 1 ASSI { 535} (( segid "HID " and resid 703 and name HE1 )) ( segid "HID " and resid 673 and name HG2%) 3.200 1.300 1.300 peak 535 spectrum 1 weight 0.10000E+01 volume 0.73223E-03 ppm1 1.210 ppm2 2.885 CV 1 ASSI { 536} (( segid "HID " and resid 674 and name HB1 )) ( segid "HID " and resid 678 and name HB% ) 3.400 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 1.446 ppm2 2.862 CV 1 ASSI { 537} (( segid "HID " and resid 669 and name HA )) ( segid "HID " and resid 669 and name HB% ) 2.200 0.600 0.600 peak 537 spectrum 1 weight 0.10000E+01 volume 0.77606E-02 ppm1 1.687 ppm2 4.173 CV 1 ASSI { 539} (( segid "HID " and resid 634 and name HA )) ( segid "HID " and resid 637 and name HG2%) 4.100 2.100 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.49602E-03 ppm1 0.980 ppm2 4.105 CV 1 ASSI { 540} (( segid "HID " and resid 638 and name HA )) ( segid "HID " and resid 637 and name HG2%) 3.400 1.500 1.500 peak 540 spectrum 1 weight 0.10000E+01 volume 0.73560E-03 ppm1 0.976 ppm2 3.922 CV 1 ASSI { 541} (( segid "HID " and resid 637 and name HA )) ( segid "HID " and resid 637 and name HG2%) 2.700 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.24396E-02 ppm1 0.979 ppm2 3.727 CV 1 ASSI { 542} (( segid "HID " and resid 627 and name HA )) ( segid "HID " and resid 669 and name HB% ) 2.700 0.900 0.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.22642E-02 ppm1 1.689 ppm2 4.431 CV 1 ASSI { 543} (( segid "HID " and resid 666 and name HA )) ( segid "HID " and resid 669 and name HB% ) 2.900 1.000 1.000 peak 543 spectrum 1 weight 0.10000E+01 volume 0.20516E-02 ppm1 1.688 ppm2 4.755 CV 1 ASSI { 545} (( segid "HID " and resid 710 and name HA )) ( segid "HID " and resid 710 and name HB% ) 2.100 0.500 0.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.12721E-01 ppm1 1.568 ppm2 4.107 CV 1 ASSI { 547} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 688 and name HB2 )) 3.000 1.100 1.100 peak 547 spectrum 1 weight 0.10000E+01 volume 0.18019E-02 ppm1 2.539 ppm2 5.360 CV 1 ASSI { 548} (( segid "HID " and resid 673 and name HA )) ( segid "HID " and resid 673 and name HG2%) 3.000 1.100 1.100 peak 548 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 1.219 ppm2 5.180 CV 1 ASSI { 552} (( segid "HID " and resid 718 and name HA )) (( segid "HID " and resid 718 and name HB2 )) 3.000 1.100 1.100 peak 552 spectrum 1 weight 0.10000E+01 volume 0.12755E-02 ppm1 3.187 ppm2 4.481 CV 1 ASSI { 558} (( segid "HID " and resid 606 and name HA )) (( segid "HID " and resid 606 and name HB2 )) 3.600 1.600 1.600 peak 558 spectrum 1 weight 0.10000E+01 volume 0.64788E-03 ppm1 2.783 ppm2 4.748 CV 1 ASSI { 559} (( segid "HID " and resid 606 and name HA )) (( segid "HID " and resid 606 and name HB1 )) 3.200 1.300 1.300 peak 559 spectrum 1 weight 0.10000E+01 volume 0.95155E-03 ppm1 2.853 ppm2 4.746 CV 1 ASSI { 560} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 688 and name HB1 )) 2.700 0.900 0.900 peak 560 spectrum 1 weight 0.10000E+01 volume 0.18829E-02 ppm1 3.038 ppm2 5.361 CV 1 ASSI { 561} (( segid "HID " and resid 689 and name HD1 )) (( segid "HID " and resid 688 and name HA )) 3.000 1.200 1.200 peak 561 spectrum 1 weight 0.10000E+01 volume 0.25206E-02 ppm1 5.365 ppm2 3.919 CV 1 ASSI { 562} (( segid "HID " and resid 689 and name HD2 )) (( segid "HID " and resid 688 and name HA )) 2.800 1.000 1.000 peak 562 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 5.361 ppm2 3.645 CV 1 ASSI { 567} (( segid "HID " and resid 673 and name HB )) (( segid "HID " and resid 673 and name HA )) 3.000 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.13362E-02 ppm1 5.196 ppm2 1.833 CV 1 ASSI { 571} (( segid "HID " and resid 623 and name HB )) ( segid "HID " and resid 623 and name HG2%) 2.600 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.33170E-02 ppm1 0.026 ppm2 1.918 CV 1 ASSI { 575} (( segid "HID " and resid 624 and name HG )) ( segid "HID " and resid 623 and name HG2%) 4.100 2.100 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.63101E-03 ppm1 0.025 ppm2 1.772 CV 1 ASSI { 583} (( segid "HID " and resid 667 and name HB1 )) ( segid "HID " and resid 664 and name HG2%) 3.500 1.500 1.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.87392E-03 ppm1 0.909 ppm2 1.883 CV 1 OR { 583} (( segid "HID " and resid 667 and name HB2 )) ( segid "HID " and resid 664 and name HG2%) ASSI { 585} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 633 and name HG2%) 3.700 1.700 1.700 peak 585 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 0.852 ppm2 1.534 CV 1 OR { 585} (( segid "HID " and resid 658 and name HB2 )) ( segid "HID " and resid 633 and name HG2%) ASSI { 586} (( segid "HID " and resid 637 and name HG12)) ( segid "HID " and resid 633 and name HG2%) 2.700 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.25341E-02 ppm1 0.860 ppm2 1.311 CV 1 ASSI { 587} ( segid "HID " and resid 633 and name HG1%) ( segid "HID " and resid 633 and name HG2%) 2.200 0.600 0.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.90767E-02 ppm1 0.849 ppm2 1.119 CV 1 ASSI { 588} (( segid "HID " and resid 664 and name HB )) ( segid "HID " and resid 664 and name HG2%) 2.000 0.500 0.500 peak 588 spectrum 1 weight 0.10000E+01 volume 0.15724E-01 ppm1 0.910 ppm2 2.057 CV 1 ASSI { 589} (( segid "HID " and resid 716 and name HB2 )) ( segid "HID " and resid 717 and name HG1%) 3.500 1.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.14037E-02 ppm1 0.984 ppm2 1.887 CV 1 OR { 589} (( segid "HID " and resid 716 and name HB1 )) ( segid "HID " and resid 717 and name HG1%) ASSI { 592} (( segid "HID " and resid 623 and name HB )) ( segid "HID " and resid 623 and name HG1%) 2.400 0.700 0.700 peak 592 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 0.507 ppm2 1.920 CV 1 ASSI { 593} (( segid "HID " and resid 619 and name HG2 )) ( segid "HID " and resid 623 and name HG1%) 2.800 1.000 1.000 peak 593 spectrum 1 weight 0.10000E+01 volume 0.27737E-02 ppm1 0.507 ppm2 2.175 CV 1 OR { 593} (( segid "HID " and resid 619 and name HG1 )) ( segid "HID " and resid 623 and name HG1%) ASSI { 596} (( segid "HID " and resid 693 and name HB )) ( segid "HID " and resid 693 and name HG2%) 2.200 0.600 0.600 peak 596 spectrum 1 weight 0.10000E+01 volume 0.56013E-02 ppm1 0.860 ppm2 2.417 CV 1 ASSI { 598} (( segid "HID " and resid 644 and name HG )) ( segid "HID " and resid 644 and name HD1%) 2.100 0.600 0.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.11169E-01 ppm1 0.818 ppm2 1.904 CV 1 OR { 598} (( segid "HID " and resid 644 and name HB1 )) ( segid "HID " and resid 644 and name HD1%) ASSI { 599} (( segid "HID " and resid 648 and name HB1 )) ( segid "HID " and resid 644 and name HD1%) 2.500 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.34418E-02 ppm1 0.820 ppm2 2.292 CV 1 ASSI { 600} (( segid "HID " and resid 644 and name HB2 )) ( segid "HID " and resid 644 and name HD1%) 2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 0.819 ppm2 1.602 CV 1 ASSI { 601} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 693 and name HG2%) 3.100 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.27973E-02 ppm1 0.862 ppm2 1.363 CV 1 ASSI { 604} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 700 and name HD1%) 2.700 0.900 0.900 peak 604 spectrum 1 weight 0.10000E+01 volume 0.24565E-02 ppm1 0.967 ppm2 1.690 CV 1 ASSI { 605} (( segid "HID " and resid 700 and name HB1 )) ( segid "HID " and resid 700 and name HD1%) 3.200 1.300 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 0.967 ppm2 1.762 CV 1 ASSI { 606} (( segid "HID " and resid 700 and name HG )) ( segid "HID " and resid 700 and name HD1%) 2.200 0.600 0.600 peak 606 spectrum 1 weight 0.10000E+01 volume 0.87735E-02 ppm1 0.968 ppm2 2.018 CV 1 ASSI { 607} (( segid "HID " and resid 633 and name HB )) ( segid "HID " and resid 633 and name HG1%) 2.300 0.700 0.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.62764E-02 ppm1 1.118 ppm2 2.099 CV 1 ASSI { 610} (( segid "HID " and resid 689 and name HB1 )) ( segid "HID " and resid 693 and name HG2%) 3.600 1.600 1.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.62422E-03 ppm1 0.871 ppm2 2.880 CV 1 ASSI { 611} (( segid "HID " and resid 621 and name HB1 )) ( segid "HID " and resid 622 and name HG2%) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.40491E-03 ppm1 0.870 ppm2 2.806 CV 1 ASSI { 612} (( segid "HID " and resid 621 and name HB2 )) ( segid "HID " and resid 622 and name HG2%) 4.600 2.700 1.400 peak 612 spectrum 1 weight 0.10000E+01 volume 0.29221E-03 ppm1 0.865 ppm2 2.668 CV 1 ASSI { 615} ( segid "HID " and resid 669 and name HB% ) ( segid "HID " and resid 630 and name HG2%) 2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 1.193 ppm2 1.686 CV 1 ASSI { 617} (( segid "HID " and resid 656 and name HB1 )) ( segid "HID " and resid 657 and name HG2%) 4.300 2.300 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.27062E-03 ppm1 1.195 ppm2 2.838 CV 1 OR { 617} (( segid "HID " and resid 656 and name HB2 )) ( segid "HID " and resid 657 and name HG2%) ASSI { 618} (( segid "HID " and resid 668 and name HB1 )) ( segid "HID " and resid 626 and name HG2%) 2.900 1.000 1.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 1.311 ppm2 1.977 CV 1 ASSI { 619} (( segid "HID " and resid 668 and name HB2 )) ( segid "HID " and resid 626 and name HG2%) 3.900 1.900 1.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.10258E-02 ppm1 1.313 ppm2 1.831 CV 1 ASSI { 621} (( segid "HID " and resid 620 and name HB1 )) ( segid "HID " and resid 623 and name HG1%) 4.800 2.900 1.200 peak 621 spectrum 1 weight 0.10000E+01 volume 0.19942E-03 ppm1 0.508 ppm2 1.728 CV 1 ASSI { 622} (( segid "HID " and resid 641 and name HB2 )) ( segid "HID " and resid 641 and name HD2%) 3.200 1.300 1.300 peak 622 spectrum 1 weight 0.10000E+01 volume 0.26252E-02 ppm1 0.462 ppm2 1.268 CV 1 ASSI { 623} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 641 and name HD2%) 2.400 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.40491E-02 ppm1 0.462 ppm2 1.365 CV 1 ASSI { 626} (( segid "HID " and resid 658 and name HB1 )) ( segid "HID " and resid 658 and name HD1%) 3.000 1.100 1.100 peak 626 spectrum 1 weight 0.10000E+01 volume 0.25679E-02 ppm1 0.731 ppm2 1.744 CV 1 ASSI { 627} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 658 and name HD1%) 2.300 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.57363E-02 ppm1 0.730 ppm2 1.520 CV 1 ASSI { 630} (( segid "HID " and resid 727 and name HG )) ( segid "HID " and resid 727 and name HD2%) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.36442E-02 ppm1 0.852 ppm2 1.486 CV 1 ASSI { 632} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 634 and name HD2%) 2.200 0.600 0.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.85705E-02 ppm1 0.864 ppm2 1.901 CV 1 ASSI { 634} (( segid "HID " and resid 631 and name HB )) ( segid "HID " and resid 628 and name HD1%) 2.400 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.54664E-02 ppm1 0.986 ppm2 2.199 CV 1 ASSI { 636} (( segid "HID " and resid 628 and name HG )) ( segid "HID " and resid 628 and name HD1%) 2.200 0.600 0.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.95492E-02 ppm1 0.986 ppm2 1.672 CV 1 ASSI { 637} (( segid "HID " and resid 670 and name HB2 )) ( segid "HID " and resid 670 and name HD1%) 2.500 0.800 0.800 peak 637 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 0.977 ppm2 1.432 CV 1 ASSI { 638} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 670 and name HD1%) 2.200 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.82667E-02 ppm1 0.977 ppm2 2.090 CV 1 OR { 638} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 670 and name HD1%) ASSI { 639} (( segid "HID " and resid 696 and name HB )) ( segid "HID " and resid 696 and name HG1%) 2.100 0.600 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.10528E-01 ppm1 1.048 ppm2 1.980 CV 1 ASSI { 642} ( segid "HID " and resid 633 and name HG1%) ( segid "HID " and resid 658 and name HD1%) 3.200 1.300 1.300 peak 642 spectrum 1 weight 0.10000E+01 volume 0.12586E-02 ppm1 0.731 ppm2 1.124 CV 1 ASSI { 643} (( segid "HID " and resid 654 and name HB1 )) ( segid "HID " and resid 654 and name HD1%) 2.400 0.700 0.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.71536E-02 ppm1 0.919 ppm2 1.713 CV 1 ASSI { 646} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 685 and name HD2%) 2.300 0.700 0.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.52639E-02 ppm1 0.732 ppm2 1.616 CV 1 ASSI { 648} (( segid "HID " and resid 696 and name HB )) ( segid "HID " and resid 685 and name HD2%) 2.800 1.000 1.000 peak 648 spectrum 1 weight 0.10000E+01 volume 0.21798E-02 ppm1 0.732 ppm2 1.983 CV 1 ASSI { 649} (( segid "HID " and resid 685 and name HB1 )) ( segid "HID " and resid 685 and name HD2%) 2.800 1.000 1.000 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 0.734 ppm2 2.058 CV 1 ASSI { 650} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 658 and name HD2%) 2.300 0.700 0.700 peak 650 spectrum 1 weight 0.10000E+01 volume 0.66139E-02 ppm1 0.717 ppm2 1.535 CV 1 OR { 650} (( segid "HID " and resid 658 and name HB2 )) ( segid "HID " and resid 658 and name HD2%) ASSI { 651} (( segid "HID " and resid 641 and name HB2 )) ( segid "HID " and resid 641 and name HD1%) 2.500 0.800 0.800 peak 651 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 0.629 ppm2 1.270 CV 1 ASSI { 652} (( segid "HID " and resid 641 and name HG )) ( segid "HID " and resid 641 and name HD1%) 2.500 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.33068E-02 ppm1 0.630 ppm2 1.361 CV 1 ASSI { 656} (( segid "HID " and resid 658 and name HB1 )) ( segid "HID " and resid 658 and name HD2%) 2.500 0.800 0.800 peak 656 spectrum 1 weight 0.10000E+01 volume 0.40829E-02 ppm1 0.720 ppm2 1.747 CV 1 ASSI { 657} (( segid "HID " and resid 649 and name HG1 )) ( segid "HID " and resid 644 and name HD2%) 3.300 1.300 1.300 peak 657 spectrum 1 weight 0.10000E+01 volume 0.48590E-03 ppm1 0.671 ppm2 2.676 CV 1 ASSI { 658} (( segid "HID " and resid 693 and name HB )) ( segid "HID " and resid 693 and name HG1%) 2.400 0.700 0.700 peak 658 spectrum 1 weight 0.10000E+01 volume 0.41166E-02 ppm1 1.038 ppm2 2.416 CV 1 ASSI { 660} (( segid "HID " and resid 638 and name HB2 )) ( segid "HID " and resid 693 and name HG1%) 2.800 1.000 1.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 1.038 ppm2 2.016 CV 1 ASSI { 665} (( segid "HID " and resid 628 and name HB1 )) ( segid "HID " and resid 628 and name HD2%) 2.100 0.600 0.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.13227E-01 ppm1 0.952 ppm2 1.896 CV 1 OR { 665} (( segid "HID " and resid 628 and name HB2 )) ( segid "HID " and resid 628 and name HD2%) ASSI { 668} (( segid "HID " and resid 711 and name HG2 )) ( segid "HID " and resid 624 and name HD2%) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.77948E-02 ppm1 0.924 ppm2 2.228 CV 1 ASSI { 670} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 670 and name HD2%) 2.100 0.600 0.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.10663E-01 ppm1 0.846 ppm2 2.085 CV 1 OR { 670} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 670 and name HD2%) ASSI { 671} (( segid "HID " and resid 624 and name HB2 )) ( segid "HID " and resid 624 and name HD2%) 1.700 0.400 0.500 peak 671 spectrum 1 weight 0.10000E+01 volume 0.27703E-01 ppm1 0.920 ppm2 1.632 CV 1 ASSI { 672} ( segid "HID " and resid 624 and name HD1%) ( segid "HID " and resid 624 and name HD2%) 2.200 0.600 0.600 peak 672 spectrum 1 weight 0.10000E+01 volume 0.95828E-02 ppm1 0.919 ppm2 1.302 CV 1 ASSI { 673} (( segid "HID " and resid 670 and name HB2 )) ( segid "HID " and resid 670 and name HD2%) 2.400 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 0.848 ppm2 1.444 CV 1 ASSI { 676} (( segid "HID " and resid 634 and name HG )) ( segid "HID " and resid 634 and name HD1%) 2.400 0.700 0.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.54326E-02 ppm1 0.826 ppm2 1.905 CV 1 ASSI { 677} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 685 and name HD1%) 2.000 0.500 0.500 peak 677 spectrum 1 weight 0.10000E+01 volume 0.14003E-01 ppm1 0.810 ppm2 1.620 CV 1 ASSI { 678} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 634 and name HD1%) 2.900 1.000 1.000 peak 678 spectrum 1 weight 0.10000E+01 volume 0.26758E-02 ppm1 0.828 ppm2 1.374 CV 1 ASSI { 683} (( segid "HID " and resid 644 and name HG )) ( segid "HID " and resid 644 and name HD2%) 2.000 0.500 0.500 peak 683 spectrum 1 weight 0.10000E+01 volume 0.14273E-01 ppm1 0.670 ppm2 1.901 CV 1 OR { 683} (( segid "HID " and resid 644 and name HB1 )) ( segid "HID " and resid 644 and name HD2%) ASSI { 686} (( segid "HID " and resid 644 and name HB2 )) ( segid "HID " and resid 644 and name HD2%) 2.900 1.100 1.100 peak 686 spectrum 1 weight 0.10000E+01 volume 0.37117E-02 ppm1 0.672 ppm2 1.606 CV 1 ASSI { 688} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 634 and name HD1%) 2.800 2.800 3.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.25847E-02 ppm1 0.851 ppm2 1.487 CV 1 ASSI { 689} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 700 and name HD2%) 2.600 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.33709E-02 ppm1 0.817 ppm2 1.192 CV 1 ASSI { 692} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 700 and name HD2%) 3.100 1.200 1.200 peak 692 spectrum 1 weight 0.10000E+01 volume 0.17411E-02 ppm1 0.814 ppm2 1.681 CV 1 ASSI { 693} (( segid "HID " and resid 700 and name HB1 )) ( segid "HID " and resid 700 and name HD2%) 2.800 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.16534E-02 ppm1 0.822 ppm2 1.792 CV 1 ASSI { 694} (( segid "HID " and resid 700 and name HG )) ( segid "HID " and resid 700 and name HD2%) 2.600 0.800 0.800 peak 694 spectrum 1 weight 0.10000E+01 volume 0.29896E-02 ppm1 0.818 ppm2 2.010 CV 1 ASSI { 695} (( segid "HID " and resid 665 and name HG11)) (( segid "HID " and resid 665 and name HG12)) 1.900 0.400 0.400 peak 695 spectrum 1 weight 0.10000E+01 volume 0.99880E-02 ppm1 1.119 ppm2 1.409 CV 1 ASSI { 696} (( segid "HID " and resid 665 and name HB )) (( segid "HID " and resid 665 and name HG12)) 3.200 1.300 1.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.15049E-02 ppm1 1.121 ppm2 1.656 CV 1 ASSI { 706} (( segid "HID " and resid 681 and name HB )) ( segid "HID " and resid 681 and name HD1%) 3.300 1.400 1.400 peak 706 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 0.202 ppm2 1.775 CV 1 ASSI { 707} (( segid "SID " and resid 220 and name HB1 )) ( segid "HID " and resid 681 and name HD1%) 3.700 1.700 1.700 peak 707 spectrum 1 weight 0.10000E+01 volume 0.90767E-03 ppm1 0.206 ppm2 1.917 CV 1 ASSI { 709} (( segid "HID " and resid 681 and name HG11)) ( segid "HID " and resid 681 and name HD1%) 2.300 0.700 0.700 peak 709 spectrum 1 weight 0.10000E+01 volume 0.56013E-02 ppm1 0.202 ppm2 1.051 CV 1 ASSI { 710} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 681 and name HD1%) 2.500 0.800 0.800 peak 710 spectrum 1 weight 0.10000E+01 volume 0.43529E-02 ppm1 0.202 ppm2 0.522 CV 1 ASSI { 711} (( segid "HID " and resid 681 and name HG12)) ( segid "HID " and resid 681 and name HD1%) 2.500 0.800 0.800 peak 711 spectrum 1 weight 0.10000E+01 volume 0.35093E-02 ppm1 0.200 ppm2 -0.500 CV 1 ASSI { 715} (( segid "HID " and resid 610 and name HG11)) ( segid "HID " and resid 610 and name HD1%) 2.400 0.700 0.700 peak 715 spectrum 1 weight 0.10000E+01 volume 0.57363E-02 ppm1 0.777 ppm2 1.281 CV 1 ASSI { 716} (( segid "HID " and resid 610 and name HG12)) ( segid "HID " and resid 610 and name HD1%) 2.200 0.600 0.600 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10258E-01 ppm1 0.776 ppm2 1.038 CV 1 ASSI { 717} (( segid "HID " and resid 610 and name HB )) ( segid "HID " and resid 610 and name HD1%) 2.600 0.900 0.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.42178E-02 ppm1 0.780 ppm2 1.716 CV 1 ASSI { 719} (( segid "HID " and resid 665 and name HG11)) ( segid "HID " and resid 665 and name HD1%) 2.200 0.600 0.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.74232E-02 ppm1 0.806 ppm2 1.409 CV 1 ASSI { 720} (( segid "HID " and resid 665 and name HG12)) ( segid "HID " and resid 665 and name HD1%) 2.200 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.89422E-02 ppm1 0.805 ppm2 1.108 CV 1 ASSI { 721} (( segid "HID " and resid 682 and name HB )) ( segid "HID " and resid 682 and name HD1%) 2.400 0.700 0.700 peak 721 spectrum 1 weight 0.10000E+01 volume 0.80308E-02 ppm1 0.844 ppm2 1.852 CV 1 ASSI { 723} (( segid "HID " and resid 631 and name HB )) ( segid "HID " and resid 631 and name HD1%) 2.700 0.900 0.900 peak 723 spectrum 1 weight 0.10000E+01 volume 0.52302E-02 ppm1 0.745 ppm2 2.199 CV 1 ASSI { 724} (( segid "HID " and resid 670 and name HB1 )) ( segid "HID " and resid 682 and name HD1%) 2.600 0.900 0.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.31550E-02 ppm1 0.850 ppm2 2.078 CV 1 OR { 724} (( segid "HID " and resid 670 and name HG )) ( segid "HID " and resid 682 and name HD1%) ASSI { 725} (( segid "HID " and resid 695 and name HG11)) ( segid "HID " and resid 695 and name HD1%) 2.000 0.500 0.500 peak 725 spectrum 1 weight 0.10000E+01 volume 0.12552E-01 ppm1 0.877 ppm2 1.743 CV 1 ASSI { 727} (( segid "HID " and resid 637 and name HB )) ( segid "HID " and resid 637 and name HD1%) 2.800 1.000 1.000 peak 727 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 0.927 ppm2 2.115 CV 1 ASSI { 728} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 637 and name HD1%) 2.400 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.52639E-02 ppm1 0.929 ppm2 1.919 CV 1 ASSI { 729} (( segid "HID " and resid 637 and name HG12)) ( segid "HID " and resid 637 and name HD1%) 2.200 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.79293E-02 ppm1 0.926 ppm2 1.348 CV 1 ASSI { 730} ( segid "HID " and resid 657 and name HG2%) ( segid "HID " and resid 637 and name HD1%) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 0.927 ppm2 1.188 CV 1 ASSI { 732} (( segid "HID " and resid 658 and name HB2 )) ( segid "HID " and resid 637 and name HD1%) 3.700 1.700 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.47578E-03 ppm1 0.932 ppm2 1.526 CV 1 OR { 732} (( segid "HID " and resid 658 and name HG )) ( segid "HID " and resid 637 and name HD1%) ASSI { 733} (( segid "HID " and resid 700 and name HB2 )) ( segid "HID " and resid 631 and name HD1%) 3.100 1.200 1.200 peak 733 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 0.744 ppm2 1.665 CV 1 ASSI { 734} (( segid "HID " and resid 701 and name HD2 )) ( segid "HID " and resid 631 and name HD1%) 2.800 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.17782E-02 ppm1 0.746 ppm2 1.568 CV 1 OR { 734} (( segid "HID " and resid 701 and name HD1 )) ( segid "HID " and resid 631 and name HD1%) ASSI { 735} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 631 and name HD1%) 3.300 1.300 1.300 peak 735 spectrum 1 weight 0.10000E+01 volume 0.14037E-02 ppm1 0.746 ppm2 1.419 CV 1 ASSI { 736} ( segid "HID " and resid 700 and name HD1%) ( segid "HID " and resid 631 and name HD1%) 2.300 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.77270E-02 ppm1 0.746 ppm2 0.961 CV 1 ASSI { 737} (( segid "SID " and resid 219 and name HB2 )) ( segid "HID " and resid 695 and name HD1%) 4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.53314E-03 ppm1 0.882 ppm2 2.383 CV 1 ASSI { 738} (( segid "HID " and resid 695 and name HB )) ( segid "HID " and resid 695 and name HD1%) 2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.47240E-02 ppm1 0.879 ppm2 2.021 CV 1 ASSI { 739} (( segid "HID " and resid 695 and name HG12)) ( segid "HID " and resid 695 and name HD1%) 2.100 0.600 0.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.90094E-02 ppm1 0.879 ppm2 1.342 CV 1 ASSI { 740} (( segid "HID " and resid 699 and name HB2 )) ( segid "HID " and resid 673 and name HD1%) 3.100 1.200 1.200 peak 740 spectrum 1 weight 0.10000E+01 volume 0.10697E-02 ppm1 0.680 ppm2 2.341 CV 1 OR { 740} (( segid "HID " and resid 699 and name HB1 )) ( segid "HID " and resid 673 and name HD1%) ASSI { 743} (( segid "HID " and resid 673 and name HB )) ( segid "HID " and resid 673 and name HD1%) 2.700 0.900 0.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.25206E-02 ppm1 0.676 ppm2 1.818 CV 1 ASSI { 744} (( segid "HID " and resid 673 and name HG11)) ( segid "HID " and resid 673 and name HD1%) 2.300 0.700 0.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.57025E-02 ppm1 0.677 ppm2 1.421 CV 1 ASSI { 745} (( segid "HID " and resid 673 and name HG12)) ( segid "HID " and resid 673 and name HD1%) 2.600 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.30504E-02 ppm1 0.677 ppm2 1.340 CV 1 ASSI { 746} ( segid "HID " and resid 673 and name HG2%) ( segid "HID " and resid 673 and name HD1%) 2.300 0.700 0.700 peak 746 spectrum 1 weight 0.10000E+01 volume 0.62422E-02 ppm1 0.677 ppm2 1.223 CV 1 ASSI { 750} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 631 and name HG2%) 3.500 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.87392E-03 ppm1 0.822 ppm2 1.413 CV 1 ASSI { 751} (( segid "HID " and resid 665 and name HB )) ( segid "HID " and resid 665 and name HG2%) 2.000 0.500 0.500 peak 751 spectrum 1 weight 0.10000E+01 volume 0.14779E-01 ppm1 0.746 ppm2 1.656 CV 1 ASSI { 754} (( segid "HID " and resid 665 and name HG12)) ( segid "HID " and resid 665 and name HG2%) 2.600 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.26185E-02 ppm1 0.746 ppm2 1.116 CV 1 ASSI { 755} (( segid "HID " and resid 610 and name HG12)) ( segid "HID " and resid 610 and name HG2%) 2.700 0.900 0.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.29795E-02 ppm1 0.755 ppm2 1.045 CV 1 ASSI { 757} (( segid "HID " and resid 681 and name HG11)) ( segid "HID " and resid 681 and name HG2%) 2.200 0.600 0.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.87392E-02 ppm1 0.522 ppm2 1.045 CV 1 ASSI { 758} (( segid "HID " and resid 682 and name HB )) ( segid "HID " and resid 682 and name HG2%) 2.000 0.500 0.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12654E-01 ppm1 0.916 ppm2 1.852 CV 1 ASSI { 762} (( segid "HID " and resid 691 and name HB )) ( segid "HID " and resid 691 and name HG2%) 2.100 0.500 0.500 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10663E-01 ppm1 0.880 ppm2 1.808 CV 1 ASSI { 763} (( segid "HID " and resid 691 and name HG12)) ( segid "HID " and resid 691 and name HG2%) 2.600 0.800 0.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 0.879 ppm2 1.338 CV 1 ASSI { 764} (( segid "HID " and resid 637 and name HB )) ( segid "HID " and resid 637 and name HG2%) 2.400 0.700 0.700 peak 764 spectrum 1 weight 0.10000E+01 volume 0.49265E-02 ppm1 0.980 ppm2 2.120 CV 1 ASSI { 765} (( segid "HID " and resid 637 and name HG11)) ( segid "HID " and resid 637 and name HG2%) 2.800 1.000 1.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 0.978 ppm2 1.913 CV 1 ASSI { 769} ( segid "HID " and resid 657 and name HG2%) ( segid "HID " and resid 637 and name HG2%) 2.600 2.600 3.400 peak 769 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 0.976 ppm2 1.183 CV 1 ASSI { 771} ( segid "HID " and resid 623 and name HG1%) ( segid "HID " and resid 622 and name HG1%) 3.200 1.300 1.300 peak 771 spectrum 1 weight 0.10000E+01 volume 0.20010E-02 ppm1 0.862 ppm2 0.523 CV 1 ASSI { 773} ( segid "HID " and resid 623 and name HG2%) ( segid "HID " and resid 623 and name HG1%) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.62086E-02 ppm1 0.507 ppm2 0.025 CV 1 ASSI { 775} ( segid "HID " and resid 644 and name HD2%) ( segid "HID " and resid 644 and name HD1%) 1.900 0.400 0.400 peak 775 spectrum 1 weight 0.10000E+01 volume 0.26556E-01 ppm1 0.817 ppm2 0.679 CV 1 ASSI { 776} ( segid "HID " and resid 673 and name HD1%) ( segid "HID " and resid 700 and name HD1%) 2.300 0.700 0.700 peak 776 spectrum 1 weight 0.10000E+01 volume 0.68162E-02 ppm1 0.967 ppm2 0.680 CV 1 ASSI { 777} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 700 and name HD1%) 2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.62422E-02 ppm1 0.968 ppm2 1.201 CV 1 ASSI { 778} ( segid "HID " and resid 700 and name HD2%) ( segid "HID " and resid 700 and name HD1%) 1.900 0.500 0.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.23317E-01 ppm1 0.967 ppm2 0.830 CV 1 ASSI { 779} (( segid "HID " and resid 666 and name HE1 )) ( segid "HID " and resid 633 and name HG1%) 3.500 1.500 1.500 peak 779 spectrum 1 weight 0.10000E+01 volume 0.58713E-03 ppm1 1.118 ppm2 -0.463 CV 1 ASSI { 780} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 696 and name HG1%) 3.700 1.700 1.700 peak 780 spectrum 1 weight 0.10000E+01 volume 0.95155E-03 ppm1 1.046 ppm2 0.203 CV 1 ASSI { 781} ( segid "HID " and resid 623 and name HG2%) ( segid "HID " and resid 620 and name HD2%) 3.200 1.300 1.300 peak 781 spectrum 1 weight 0.10000E+01 volume 0.16973E-02 ppm1 0.850 ppm2 0.029 CV 1 ASSI { 782} ( segid "HID " and resid 641 and name HD1%) ( segid "HID " and resid 641 and name HD2%) 2.200 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.95492E-02 ppm1 0.463 ppm2 0.636 CV 1 ASSI { 784} ( segid "HID " and resid 623 and name HG1%) ( segid "HID " and resid 620 and name HD2%) 3.000 1.100 1.100 peak 784 spectrum 1 weight 0.10000E+01 volume 0.24396E-02 ppm1 0.852 ppm2 0.516 CV 1 ASSI { 785} ( segid "HID " and resid 630 and name HG2%) ( segid "HID " and resid 634 and name HD2%) 2.900 1.000 1.000 peak 785 spectrum 1 weight 0.10000E+01 volume 0.20448E-02 ppm1 0.863 ppm2 1.192 CV 1 ASSI { 787} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 696 and name HG2%) 4.000 2.000 2.000 peak 787 spectrum 1 weight 0.10000E+01 volume 0.36442E-03 ppm1 0.996 ppm2 0.181 CV 1 ASSI { 788} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 696 and name HG1%) 2.500 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.56351E-02 ppm1 1.047 ppm2 0.523 CV 1 ASSI { 789} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 696 and name HG2%) 2.600 0.900 0.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.27332E-02 ppm1 0.993 ppm2 0.531 CV 1 ASSI { 792} ( segid "HID " and resid 637 and name HG2%) ( segid "HID " and resid 641 and name HD2%) 3.000 1.100 1.100 peak 792 spectrum 1 weight 0.10000E+01 volume 0.20448E-02 ppm1 0.460 ppm2 0.974 CV 1 ASSI { 793} (( segid "HID " and resid 681 and name HG12)) (( segid "HID " and resid 681 and name HG11)) 2.100 0.600 0.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 1.056 ppm2 -0.498 CV 1 ASSI { 797} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 685 and name HD2%) 3.000 1.100 1.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.21663E-02 ppm1 0.734 ppm2 0.531 CV 1 ASSI { 798} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 670 and name HD1%) 3.800 1.800 1.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.10629E-02 ppm1 0.980 ppm2 0.183 CV 1 ASSI { 801} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 670 and name HD1%) 2.600 0.800 0.800 peak 801 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 0.977 ppm2 0.526 CV 1 ASSI { 803} ( segid "HID " and resid 641 and name HD1%) ( segid "HID " and resid 693 and name HG1%) 2.900 1.100 1.100 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17580E-02 ppm1 1.040 ppm2 0.634 CV 1 ASSI { 804} ( segid "HID " and resid 685 and name HD2%) ( segid "HID " and resid 693 and name HG1%) 2.700 0.900 0.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.47240E-02 ppm1 1.040 ppm2 0.733 CV 1 ASSI { 805} ( segid "HID " and resid 693 and name HG2%) ( segid "HID " and resid 693 and name HG1%) 2.400 0.700 0.700 peak 805 spectrum 1 weight 0.10000E+01 volume 0.48590E-02 ppm1 1.039 ppm2 0.854 CV 1 ASSI { 808} ( segid "HID " and resid 623 and name HG1%) ( segid "HID " and resid 624 and name HD2%) 2.700 0.900 0.900 peak 808 spectrum 1 weight 0.10000E+01 volume 0.24160E-02 ppm1 0.916 ppm2 0.519 CV 1 ASSI { 810} ( segid "HID " and resid 637 and name HG2%) ( segid "HID " and resid 641 and name HD1%) 2.300 0.600 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.69849E-02 ppm1 0.629 ppm2 0.975 CV 1 ASSI { 811} ( segid "HID " and resid 693 and name HG2%) ( segid "HID " and resid 641 and name HD1%) 2.100 0.600 0.600 peak 811 spectrum 1 weight 0.10000E+01 volume 0.99544E-02 ppm1 0.630 ppm2 0.872 CV 1 ASSI { 812} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 685 and name HD1%) 2.600 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 0.814 ppm2 0.527 CV 1 ASSI { 815} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 665 and name HG12)) 3.600 1.600 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.85033E-03 ppm1 1.121 ppm2 0.912 CV 1 ASSI { 818} ( segid "HID " and resid 633 and name HG1%) ( segid "HID " and resid 700 and name HD2%) 3.400 1.500 1.500 peak 818 spectrum 1 weight 0.10000E+01 volume 0.13700E-02 ppm1 0.809 ppm2 1.120 CV 1 ASSI { 819} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 682 and name HD1%) 3.300 1.300 1.300 peak 819 spectrum 1 weight 0.10000E+01 volume 0.12991E-02 ppm1 0.845 ppm2 0.524 CV 1 ASSI { 820} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 695 and name HD1%) 4.000 2.000 2.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.36442E-03 ppm1 0.880 ppm2 0.198 CV 1 ASSI { 822} (( segid "HID " and resid 681 and name HG12)) ( segid "HID " and resid 681 and name HG2%) 3.400 1.400 1.400 peak 822 spectrum 1 weight 0.10000E+01 volume 0.20988E-02 ppm1 0.523 ppm2 -0.503 CV 1 ASSI { 826} ( segid "HID " and resid 618 and name HD% ) ( segid "HID " and resid 622 and name HG2%) 3.900 1.900 1.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.33439E-03 ppm1 0.856 ppm2 -0.771 CV 1 ASSI { 827} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 696 and name HG2%) 3.400 1.500 1.500 peak 827 spectrum 1 weight 0.10000E+01 volume 0.72887E-03 ppm1 0.990 ppm2 -1.282 CV 1 ASSI { 828} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 696 and name HG1%) 3.600 1.600 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 1.046 ppm2 -1.287 CV 1 ASSI { 829} ( segid "HID " and resid 652 and name HD% ) ( segid "HID " and resid 641 and name HD2%) 3.400 1.400 1.400 peak 829 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 0.463 ppm2 -0.906 CV 1 ASSI { 830} ( segid "HID " and resid 652 and name HE% ) ( segid "HID " and resid 641 and name HD2%) 3.800 1.800 1.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.40154E-03 ppm1 0.461 ppm2 -0.814 CV 1 ASSI { 833} ( segid "HID " and resid 652 and name HE% ) ( segid "HID " and resid 654 and name HD1%) 3.000 1.100 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17074E-02 ppm1 0.921 ppm2 -0.803 CV 1 ASSI { 834} ( segid "HID " and resid 652 and name HD% ) ( segid "HID " and resid 654 and name HD1%) 3.300 1.400 1.400 peak 834 spectrum 1 weight 0.10000E+01 volume 0.96170E-03 ppm1 0.924 ppm2 -0.898 CV 1 ASSI { 835} ( segid "HID " and resid 674 and name HD% ) ( segid "HID " and resid 670 and name HD1%) 3.200 1.300 1.300 peak 835 spectrum 1 weight 0.10000E+01 volume 0.98866E-03 ppm1 0.975 ppm2 -0.887 CV 1 ASSI { 836} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 670 and name HD1%) 3.200 1.300 1.300 peak 836 spectrum 1 weight 0.10000E+01 volume 0.13194E-02 ppm1 0.975 ppm2 -1.280 CV 1 ASSI { 837} ( segid "HID " and resid 623 and name HG2%) ( segid "HID " and resid 624 and name HD2%) 3.700 1.700 1.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.66475E-03 ppm1 0.918 ppm2 0.037 CV 1 ASSI { 838} ( segid "HID " and resid 652 and name HD% ) ( segid "HID " and resid 641 and name HD1%) 3.600 1.600 1.600 peak 838 spectrum 1 weight 0.10000E+01 volume 0.71536E-03 ppm1 0.662 ppm2 -0.903 CV 1 ASSI { 839} ( segid "HID " and resid 652 and name HE% ) ( segid "HID " and resid 641 and name HD1%) 3.400 1.400 1.400 peak 839 spectrum 1 weight 0.10000E+01 volume 0.39142E-03 ppm1 0.656 ppm2 -0.819 CV 1 ASSI { 841} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 681 and name HD1%) 3.400 1.400 1.400 peak 841 spectrum 1 weight 0.10000E+01 volume 0.82331E-03 ppm1 0.206 ppm2 -1.282 CV 1 ASSI { 842} ( segid "HID " and resid 674 and name HD% ) ( segid "HID " and resid 681 and name HD1%) 4.000 2.000 2.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.35430E-03 ppm1 0.198 ppm2 -0.883 CV 1 ASSI { 843} ( segid "HID " and resid 652 and name HE% ) ( segid "HID " and resid 637 and name HD1%) 4.100 2.100 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.28951E-03 ppm1 0.925 ppm2 -0.808 CV 1 ASSI { 844} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 673 and name HD1%) 3.000 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 0.680 ppm2 -1.287 CV 1 ASSI { 846} ( segid "HID " and resid 674 and name HE% ) ( segid "HID " and resid 681 and name HG2%) 3.300 1.400 1.400 peak 846 spectrum 1 weight 0.10000E+01 volume 0.85369E-03 ppm1 0.524 ppm2 -1.282 CV 1 ASSI { 847} ( segid "HID " and resid 674 and name HD% ) ( segid "HID " and resid 681 and name HG2%) 4.300 2.300 1.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.17580E-03 ppm1 0.524 ppm2 -0.906 CV 1 ASSI { 848} ( segid "HID " and resid 652 and name HE% ) ( segid "HID " and resid 637 and name HG2%) 3.000 1.200 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.12687E-02 ppm1 0.980 ppm2 -0.805 CV 1 ASSI { 849} ( segid "HID " and resid 652 and name HD% ) ( segid "HID " and resid 637 and name HG2%) 4.200 2.200 1.800 peak 849 spectrum 1 weight 0.10000E+01 volume 0.31651E-03 ppm1 0.978 ppm2 -0.908 CV 1 ASSI { 850} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 649 and name HA )) 3.200 1.300 1.300 peak 850 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 3.785 ppm2 0.461 CV 1 ASSI { 852} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 686 and name HA )) 2.500 0.800 0.800 peak 852 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 3.981 ppm2 0.881 CV 1 OR { 852} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 686 and name HA )) ASSI { 853} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 632 and name HA )) 3.200 1.300 1.300 peak 853 spectrum 1 weight 0.10000E+01 volume 0.95492E-03 ppm1 4.115 ppm2 0.826 CV 1 ASSI { 857} (( segid "HID " and resid 685 and name HG )) ( segid "HID " and resid 692 and name HB% ) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.27568E-02 ppm1 1.257 ppm2 1.629 CV 1 ASSI { 858} (( segid "HID " and resid 688 and name HB1 )) ( segid "HID " and resid 692 and name HB% ) 4.200 2.200 1.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.30605E-03 ppm1 1.251 ppm2 3.019 CV 1 ASSI { 859} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 724 and name HG2 )) 2.200 0.600 0.600 peak 859 spectrum 1 weight 0.10000E+01 volume 0.90094E-02 ppm1 1.197 ppm2 1.587 CV 1 OR { 859} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 724 and name HG1 )) OR { 859} (( segid "HID " and resid 724 and name HD2 )) (( segid "HID " and resid 724 and name HG2 )) OR { 859} (( segid "HID " and resid 724 and name HD1 )) (( segid "HID " and resid 724 and name HG2 )) OR { 859} (( segid "HID " and resid 724 and name HD2 )) (( segid "HID " and resid 724 and name HG1 )) OR { 859} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 724 and name HG2 )) OR { 859} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 724 and name HG1 )) ASSI { 860} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 639 and name HG1 )) 2.100 0.600 0.600 peak 860 spectrum 1 weight 0.10000E+01 volume 0.11236E-01 ppm1 1.564 ppm2 1.920 CV 1 OR { 860} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 639 and name HG1 )) ASSI { 861} (( segid "HID " and resid 677 and name HB1 )) (( segid "HID " and resid 677 and name HG2 )) 2.600 0.900 0.900 peak 861 spectrum 1 weight 0.10000E+01 volume 0.29930E-02 ppm1 1.575 ppm2 2.127 CV 1 OR { 861} (( segid "HID " and resid 677 and name HB2 )) (( segid "HID " and resid 677 and name HG2 )) ASSI { 862} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 698 and name HG1 )) 2.200 0.600 0.600 peak 862 spectrum 1 weight 0.10000E+01 volume 0.84697E-02 ppm1 1.382 ppm2 1.962 CV 1 OR { 862} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 698 and name HG2 )) OR { 862} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 698 and name HG1 )) OR { 862} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 698 and name HG2 )) ASSI { 869} (( segid "HID " and resid 708 and name HG2 )) ( segid "HID " and resid 624 and name HD1%) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.29525E-02 ppm1 1.310 ppm2 1.985 CV 1 OR { 869} (( segid "HID " and resid 708 and name HG1 )) ( segid "HID " and resid 624 and name HD1%) ASSI { 870} (( segid "HID " and resid 624 and name HG )) ( segid "HID " and resid 624 and name HD1%) 2.200 0.600 0.600 peak 870 spectrum 1 weight 0.10000E+01 volume 0.80644E-02 ppm1 1.306 ppm2 1.786 CV 1 ASSI { 871} (( segid "HID " and resid 701 and name HD1 )) (( segid "HID " and resid 701 and name HG2 )) 1.800 0.400 0.400 peak 871 spectrum 1 weight 0.10000E+01 volume 0.28243E-01 ppm1 1.357 ppm2 1.548 CV 1 OR { 871} (( segid "HID " and resid 701 and name HD2 )) (( segid "HID " and resid 701 and name HG1 )) OR { 871} (( segid "HID " and resid 701 and name HD2 )) (( segid "HID " and resid 701 and name HG2 )) OR { 871} (( segid "HID " and resid 701 and name HD1 )) (( segid "HID " and resid 701 and name HG1 )) ASSI { 872} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 668 and name HG1 )) 2.100 0.600 0.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.96843E-02 ppm1 1.602 ppm2 1.826 CV 1 ASSI { 873} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 668 and name HG1 )) 2.400 0.700 0.700 peak 873 spectrum 1 weight 0.10000E+01 volume 0.68834E-02 ppm1 1.601 ppm2 1.963 CV 1 ASSI { 878} (( segid "HID " and resid 689 and name HB1 )) (( segid "HID " and resid 653 and name HG1 )) 3.300 1.400 1.400 peak 878 spectrum 1 weight 0.10000E+01 volume 0.57025E-03 ppm1 1.675 ppm2 2.860 CV 1 OR { 878} (( segid "HID " and resid 689 and name HB1 )) (( segid "HID " and resid 653 and name HG2 )) ASSI { 882} (( segid "HID " and resid 685 and name HB1 )) (( segid "HID " and resid 685 and name HG )) 2.400 0.700 0.700 peak 882 spectrum 1 weight 0.10000E+01 volume 0.72209E-02 ppm1 1.626 ppm2 2.048 CV 1 ASSI { 884} (( segid "HID " and resid 668 and name HD2 )) (( segid "HID " and resid 668 and name HG2 )) 1.800 1.800 4.200 peak 884 spectrum 1 weight 0.10000E+01 volume 0.36105E-01 ppm1 1.443 ppm2 1.654 CV 1 OR { 884} (( segid "HID " and resid 668 and name HD1 )) (( segid "HID " and resid 668 and name HG2 )) ASSI { 886} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HG1 )) 1.600 0.300 0.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.26927E-01 ppm1 1.569 ppm2 1.439 CV 1 ASSI { 888} (( segid "HID " and resid 691 and name HG11)) (( segid "HID " and resid 691 and name HG12)) 1.600 0.300 0.600 peak 888 spectrum 1 weight 0.10000E+01 volume 0.24329E-01 ppm1 1.340 ppm2 1.537 CV 1 ASSI { 889} (( segid "HID " and resid 610 and name HB )) (( segid "HID " and resid 610 and name HG11)) 2.600 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.32596E-02 ppm1 1.287 ppm2 1.715 CV 1 ASSI { 890} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 691 and name HG12)) 2.500 0.800 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 1.345 ppm2 1.804 CV 1 ASSI { 891} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HG2 )) 2.000 0.500 0.500 peak 891 spectrum 1 weight 0.10000E+01 volume 0.10561E-01 ppm1 1.697 ppm2 2.071 CV 1 ASSI { 893} (( segid "HID " and resid 703 and name HE2 )) (( segid "HID " and resid 703 and name HG2 )) 3.600 1.600 1.600 peak 893 spectrum 1 weight 0.10000E+01 volume 0.64109E-03 ppm1 1.391 ppm2 2.746 CV 1 OR { 893} (( segid "HID " and resid 703 and name HE2 )) (( segid "HID " and resid 703 and name HG1 )) ASSI { 895} (( segid "HID " and resid 695 and name HB )) (( segid "HID " and resid 695 and name HG12)) 3.000 1.100 1.100 peak 895 spectrum 1 weight 0.10000E+01 volume 0.22304E-02 ppm1 1.339 ppm2 2.010 CV 1 ASSI { 896} (( segid "HID " and resid 695 and name HG11)) (( segid "HID " and resid 695 and name HG12)) 1.800 0.400 0.400 peak 896 spectrum 1 weight 0.10000E+01 volume 0.10224E-01 ppm1 1.345 ppm2 1.746 CV 1 ASSI { 898} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 632 and name HG2 )) 1.700 0.400 0.500 peak 898 spectrum 1 weight 0.10000E+01 volume 0.19942E-01 ppm1 1.746 ppm2 1.896 CV 1 OR { 898} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 632 and name HG2 )) ASSI { 901} (( segid "HID " and resid 632 and name HG2 )) (( segid "HID " and resid 632 and name HG1 )) 1.700 0.400 0.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15049E-01 ppm1 1.895 ppm2 1.749 CV 1 ASSI { 905} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 670 and name HG )) 2.800 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.18626E-02 ppm1 2.086 ppm2 1.440 CV 1 ASSI { 907} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 649 and name HB1 )) 3.300 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.13464E-02 ppm1 2.218 ppm2 2.659 CV 1 ASSI { 909} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 671 and name HB2 )) 2.200 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.78621E-02 ppm1 2.082 ppm2 2.433 CV 1 OR { 909} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 671 and name HB2 )) ASSI { 910} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 671 and name HB1 )) 2.300 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.74574E-02 ppm1 2.229 ppm2 2.431 CV 1 OR { 910} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 671 and name HB1 )) ASSI { 912} (( segid "HID " and resid 694 and name HB2 )) (( segid "HID " and resid 694 and name HG1 )) 2.500 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.70858E-02 ppm1 2.160 ppm2 1.882 CV 1 ASSI { 915} (( segid "HID " and resid 694 and name HB2 )) (( segid "HID " and resid 694 and name HG2 )) 1.900 0.400 0.400 peak 915 spectrum 1 weight 0.10000E+01 volume 0.14239E-01 ppm1 2.000 ppm2 1.849 CV 1 ASSI { 919} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 624 and name HG )) 2.400 0.700 0.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.47578E-02 ppm1 1.805 ppm2 2.114 CV 1 ASSI { 921} (( segid "HID " and resid 668 and name HE1 )) (( segid "HID " and resid 668 and name HD2 )) 2.100 0.500 0.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.11709E-01 ppm1 1.641 ppm2 2.878 CV 1 OR { 921} (( segid "HID " and resid 668 and name HE2 )) (( segid "HID " and resid 668 and name HD1 )) OR { 921} (( segid "HID " and resid 668 and name HE2 )) (( segid "HID " and resid 668 and name HD2 )) OR { 921} (( segid "HID " and resid 668 and name HE1 )) (( segid "HID " and resid 668 and name HD1 )) ASSI { 922} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HD1 )) 2.300 0.700 0.700 peak 922 spectrum 1 weight 0.10000E+01 volume 0.71200E-02 ppm1 1.587 ppm2 1.236 CV 1 OR { 922} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HD2 )) OR { 922} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HD1 )) OR { 922} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HD2 )) ASSI { 923} (( segid "HID " and resid 724 and name HE2 )) (( segid "HID " and resid 724 and name HD1 )) 2.500 0.800 0.800 peak 923 spectrum 1 weight 0.10000E+01 volume 0.43529E-02 ppm1 1.589 ppm2 2.901 CV 1 OR { 923} (( segid "HID " and resid 724 and name HE1 )) (( segid "HID " and resid 724 and name HD2 )) OR { 923} (( segid "HID " and resid 724 and name HE1 )) (( segid "HID " and resid 724 and name HD1 )) OR { 923} (( segid "HID " and resid 724 and name HE2 )) (( segid "HID " and resid 724 and name HD2 )) ASSI { 924} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 698 and name HD1 )) 1.900 0.500 0.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.21562E-01 ppm1 1.717 ppm2 1.963 CV 1 OR { 924} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 698 and name HD2 )) OR { 924} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 698 and name HD2 )) OR { 924} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 698 and name HD1 )) ASSI { 926} (( segid "HID " and resid 637 and name HG11)) (( segid "HID " and resid 637 and name HG12)) 1.900 0.500 0.500 peak 926 spectrum 1 weight 0.10000E+01 volume 0.84355E-02 ppm1 1.347 ppm2 1.917 CV 1 ASSI { 928} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 709 and name HB1 )) 1.900 0.400 0.400 peak 928 spectrum 1 weight 0.10000E+01 volume 0.25138E-01 ppm1 2.191 ppm2 2.356 CV 1 OR { 928} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 709 and name HB2 )) OR { 928} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 709 and name HB2 )) OR { 928} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 709 and name HB1 )) ASSI { 931} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 711 and name HB1 )) 2.200 0.600 0.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 2.408 ppm2 2.108 CV 1 ASSI { 934} (( segid "HID " and resid 706 and name HG1 )) (( segid "HID " and resid 706 and name HB2 )) 2.500 0.800 0.800 peak 934 spectrum 1 weight 0.10000E+01 volume 0.40829E-02 ppm1 1.928 ppm2 2.423 CV 1 ASSI { 936} (( segid "HID " and resid 635 and name HG1 )) (( segid "HID " and resid 635 and name HB1 )) 3.100 1.200 1.200 peak 936 spectrum 1 weight 0.10000E+01 volume 0.17074E-02 ppm1 2.232 ppm2 2.594 CV 1 ASSI { 938} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 617 and name HB2 )) 2.500 0.800 0.800 peak 938 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 1.490 ppm2 1.340 CV 1 OR { 938} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 617 and name HB2 )) ASSI { 939} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 617 and name HB1 )) 2.400 0.700 0.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.53314E-02 ppm1 1.567 ppm2 1.337 CV 1 OR { 939} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 617 and name HB1 )) ASSI { 941} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HB2 )) 1.800 0.400 0.400 peak 941 spectrum 1 weight 0.10000E+01 volume 0.14003E-01 ppm1 1.780 ppm2 2.076 CV 1 ASSI { 942} (( segid "HID " and resid 694 and name HB1 )) (( segid "HID " and resid 694 and name HB2 )) 1.800 0.400 0.400 peak 942 spectrum 1 weight 0.10000E+01 volume 0.11405E-01 ppm1 1.877 ppm2 2.323 CV 1 ASSI { 946} (( segid "HID " and resid 694 and name HG2 )) (( segid "HID " and resid 694 and name HB1 )) 2.800 1.000 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 2.323 ppm2 2.003 CV 1 ASSI { 947} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 648 and name HB1 )) 3.600 1.600 1.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.13767E-02 ppm1 2.322 ppm2 1.623 CV 1 ASSI { 949} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HB2 )) 2.100 0.500 0.500 peak 949 spectrum 1 weight 0.10000E+01 volume 0.13160E-01 ppm1 1.682 ppm2 1.534 CV 1 OR { 949} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HB2 )) ASSI { 950} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HB2 )) 1.500 0.300 0.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.34755E-01 ppm1 1.684 ppm2 1.798 CV 1 ASSI { 954} (( segid "HID " and resid 712 and name HG2 )) (( segid "HID " and resid 712 and name HB1 )) 2.100 0.600 0.600 peak 954 spectrum 1 weight 0.10000E+01 volume 0.11810E-01 ppm1 2.011 ppm2 1.653 CV 1 OR { 954} (( segid "HID " and resid 712 and name HG1 )) (( segid "HID " and resid 712 and name HB1 )) ASSI { 955} (( segid "HID " and resid 702 and name HG1 )) (( segid "HID " and resid 702 and name HB1 )) 2.500 0.800 0.800 peak 955 spectrum 1 weight 0.10000E+01 volume 0.36105E-02 ppm1 2.200 ppm2 2.725 CV 1 OR { 955} (( segid "HID " and resid 702 and name HG1 )) (( segid "HID " and resid 702 and name HB2 )) ASSI { 956} (( segid "HID " and resid 702 and name HG2 )) (( segid "HID " and resid 702 and name HB2 )) 2.600 0.800 0.800 peak 956 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 2.200 ppm2 2.523 CV 1 OR { 956} (( segid "HID " and resid 702 and name HG2 )) (( segid "HID " and resid 702 and name HB1 )) ASSI { 957} (( segid "HID " and resid 702 and name HG1 )) (( segid "HID " and resid 702 and name HG2 )) 1.900 0.500 0.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.10393E-01 ppm1 2.526 ppm2 2.724 CV 1 ASSI { 963} (( segid "HID " and resid 627 and name HB2 )) (( segid "HID " and resid 631 and name HG11)) 3.600 1.600 1.600 peak 963 spectrum 1 weight 0.10000E+01 volume 0.12519E-02 ppm1 1.915 ppm2 2.938 CV 1 ASSI { 964} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HB2 )) 4.000 2.000 2.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 1.950 ppm2 2.972 CV 1 OR { 964} (( segid "HID " and resid 698 and name HE1 )) (( segid "HID " and resid 698 and name HB1 )) OR { 964} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HB1 )) OR { 964} (( segid "HID " and resid 698 and name HE2 )) (( segid "HID " and resid 698 and name HB2 )) ASSI { 968} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 716 and name HB2 )) 3.700 1.700 1.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.64788E-03 ppm1 1.878 ppm2 2.968 CV 1 OR { 968} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HB2 )) OR { 968} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 716 and name HB1 )) OR { 968} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 716 and name HB1 )) ASSI { 970} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HB1 )) 2.300 0.700 0.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.61077E-02 ppm1 1.618 ppm2 1.240 CV 1 OR { 970} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HB2 )) OR { 970} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HB2 )) OR { 970} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HB1 )) ASSI { 972} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HB2 )) 2.600 0.900 0.900 peak 972 spectrum 1 weight 0.10000E+01 volume 0.33574E-02 ppm1 1.752 ppm2 1.448 CV 1 OR { 972} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HB2 )) ASSI { 973} (( segid "HID " and resid 651 and name HB2 )) (( segid "HID " and resid 651 and name HB1 )) 1.800 0.400 0.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.10832E-01 ppm1 2.039 ppm2 1.823 CV 1 ASSI { 976} (( segid "HID " and resid 651 and name HG2 )) (( segid "HID " and resid 651 and name HB1 )) 2.500 0.800 0.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 2.036 ppm2 1.535 CV 1 ASSI { 977} (( segid "HID " and resid 651 and name HG1 )) (( segid "HID " and resid 651 and name HB1 )) 2.900 1.100 1.100 peak 977 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 2.035 ppm2 1.630 CV 1 ASSI { 978} (( segid "HID " and resid 651 and name HD2 )) (( segid "HID " and resid 651 and name HB1 )) 2.900 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.26556E-02 ppm1 2.039 ppm2 1.707 CV 1 OR { 978} (( segid "HID " and resid 651 and name HD1 )) (( segid "HID " and resid 651 and name HB1 )) ASSI { 979} (( segid "HID " and resid 653 and name HB2 )) (( segid "HID " and resid 653 and name HB1 )) 1.700 0.400 0.500 peak 979 spectrum 1 weight 0.10000E+01 volume 0.20549E-01 ppm1 1.843 ppm2 1.630 CV 1 ASSI { 980} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 638 and name HG1 )) 2.100 0.600 0.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.97179E-02 ppm1 2.249 ppm2 2.014 CV 1 OR { 980} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 638 and name HG2 )) ASSI { 983} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 671 and name HG1 )) 2.600 0.800 0.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.31988E-02 ppm1 2.447 ppm2 4.142 CV 1 OR { 983} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 671 and name HG2 )) ASSI { 985} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 671 and name HG1 )) 3.600 1.600 1.600 peak 985 spectrum 1 weight 0.10000E+01 volume 0.70522E-03 ppm1 2.437 ppm2 4.284 CV 1 OR { 985} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 671 and name HG2 )) ASSI { 987} (( segid "HID " and resid 721 and name HA )) (( segid "HID " and resid 721 and name HG1 )) 3.100 1.200 1.200 peak 987 spectrum 1 weight 0.10000E+01 volume 0.24227E-02 ppm1 2.362 ppm2 4.200 CV 1 ASSI { 989} (( segid "HID " and resid 721 and name HB1 )) (( segid "HID " and resid 721 and name HG1 )) 2.100 0.500 0.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.11945E-01 ppm1 2.358 ppm2 2.069 CV 1 ASSI { 991} (( segid "HID " and resid 711 and name HG1 )) (( segid "HID " and resid 711 and name HG2 )) 1.800 0.400 0.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.12923E-01 ppm1 2.261 ppm2 2.435 CV 1 ASSI { 996} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HG1 )) 2.100 0.500 0.500 peak 996 spectrum 1 weight 0.10000E+01 volume 0.60063E-02 ppm1 2.673 ppm2 2.210 CV 1 ASSI { 997} (( segid "HID " and resid 649 and name HB2 )) (( segid "HID " and resid 649 and name HG1 )) 2.800 1.000 1.000 peak 997 spectrum 1 weight 0.10000E+01 volume 0.14645E-02 ppm1 2.668 ppm2 2.058 CV 1 ASSI { 998} (( segid "HID " and resid 689 and name HG2 )) (( segid "HID " and resid 649 and name HG1 )) 3.700 1.700 1.700 peak 998 spectrum 1 weight 0.10000E+01 volume 0.93132E-03 ppm1 2.672 ppm2 1.980 CV 1 ASSI { 1000} (( segid "HID " and resid 706 and name HG2 )) (( segid "HID " and resid 706 and name HG1 )) 1.700 0.400 0.500 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.21595E-01 ppm1 2.420 ppm2 2.158 CV 1 ASSI { 1002} (( segid "HID " and resid 706 and name HB1 )) (( segid "HID " and resid 706 and name HG1 )) 2.400 0.700 0.700 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.65460E-02 ppm1 2.426 ppm2 2.012 CV 1 ASSI { 1005} (( segid "HID " and resid 716 and name HE1 )) (( segid "HID " and resid 720 and name HG1 )) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.43866E-03 ppm1 2.331 ppm2 2.984 CV 1 OR { 1005} (( segid "HID " and resid 716 and name HE2 )) (( segid "HID " and resid 720 and name HG1 )) ASSI { 1006} (( segid "HID " and resid 647 and name HB1 )) (( segid "HID " and resid 647 and name HG1 )) 1.800 0.400 0.400 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.40491E-01 ppm1 2.332 ppm2 2.099 CV 1 OR { 1006} (( segid "HID " and resid 647 and name HB1 )) (( segid "HID " and resid 647 and name HG2 )) ASSI { 1007} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 647 and name HG1 )) 1.900 0.500 0.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.21798E-01 ppm1 2.329 ppm2 1.968 CV 1 OR { 1007} (( segid "HID " and resid 647 and name HB2 )) (( segid "HID " and resid 647 and name HG2 )) ASSI { 1010} (( segid "HID " and resid 716 and name HD2 )) (( segid "HID " and resid 720 and name HG1 )) 3.100 1.200 1.200 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.15184E-02 ppm1 2.333 ppm2 1.708 CV 1 OR { 1010} (( segid "HID " and resid 716 and name HD1 )) (( segid "HID " and resid 720 and name HG1 )) ASSI { 1012} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 648 and name HG1 )) 1.700 0.400 0.500 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.17580E-01 ppm1 2.438 ppm2 2.271 CV 1 ASSI { 1013} (( segid "HID " and resid 648 and name HB2 )) (( segid "HID " and resid 648 and name HG1 )) 2.200 0.600 0.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 2.438 ppm2 2.143 CV 1 ASSI { 1015} (( segid "HID " and resid 665 and name HG11)) (( segid "HID " and resid 665 and name HB )) 2.600 0.900 0.900 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.23249E-02 ppm1 1.665 ppm2 1.407 CV 1 ASSI { 1017} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 635 and name HG2 )) 2.600 0.800 0.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.55001E-02 ppm1 2.159 ppm2 1.917 CV 1 ASSI { 1018} (( segid "HID " and resid 635 and name HG2 )) (( segid "HID " and resid 635 and name HG1 )) 1.800 0.400 0.400 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.12316E-01 ppm1 2.595 ppm2 2.158 CV 1 ASSI { 1019} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 635 and name HG1 )) 2.600 0.800 0.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.24363E-02 ppm1 2.598 ppm2 1.920 CV 1 ASSI { 1020} (( segid "HID " and resid 695 and name HG11)) (( segid "HID " and resid 695 and name HB )) 2.900 1.000 1.000 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.11776E-02 ppm1 2.025 ppm2 1.754 CV 1 ASSI { 1023} (( segid "HID " and resid 691 and name HG11)) (( segid "HID " and resid 691 and name HB )) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.31516E-02 ppm1 1.808 ppm2 1.537 CV 1 ASSI { 1026} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 722 and name HB2 )) 1.800 0.400 0.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.14645E-01 ppm1 2.476 ppm2 2.673 CV 1 ASSI { 1029} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 673 and name HB )) 2.700 0.900 0.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.20246E-02 ppm1 1.820 ppm2 1.426 CV 1 ASSI { 1033} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 674 and name HB2 )) 2.200 0.600 0.600 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.36780E-02 ppm1 2.551 ppm2 2.862 CV 1 ASSI { 1034} (( segid "HID " and resid 621 and name HB1 )) (( segid "HID " and resid 621 and name HB2 )) 1.900 0.400 0.400 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.13126E-01 ppm1 2.652 ppm2 2.816 CV 1 ASSI { 1035} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 688 and name HB2 )) 1.800 0.400 0.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.12721E-01 ppm1 2.540 ppm2 3.037 CV 1 ASSI { 1036} (( segid "HID " and resid 658 and name HB1 )) (( segid "HID " and resid 658 and name HB2 )) 2.000 0.500 0.500 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.71872E-02 ppm1 1.547 ppm2 1.744 CV 1 ASSI { 1038} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 634 and name HB2 )) 2.100 0.600 0.600 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 1.382 ppm2 2.056 CV 1 ASSI { 1039} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HB2 )) 2.700 0.900 0.900 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 1.374 ppm2 0.852 CV 1 OR { 1039} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HB2 )) ASSI { 1040} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 658 and name HB2 )) 2.700 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.29390E-02 ppm1 1.546 ppm2 0.725 CV 1 OR { 1040} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 658 and name HB2 )) ASSI { 1042} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HB2 )) 2.700 0.900 0.900 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.37117E-02 ppm1 1.538 ppm2 0.837 CV 1 ASSI { 1044} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 641 and name HB2 )) 2.000 0.500 0.500 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.62764E-02 ppm1 1.268 ppm2 1.786 CV 1 ASSI { 1045} (( segid "HID " and resid 685 and name HB1 )) (( segid "HID " and resid 685 and name HB2 )) 2.100 0.500 0.500 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.48927E-02 ppm1 1.242 ppm2 2.076 CV 1 ASSI { 1047} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 624 and name HB2 )) 2.100 0.600 0.600 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.45216E-02 ppm1 1.609 ppm2 2.107 CV 1 ASSI { 1049} (( segid "HID " and resid 641 and name HG )) (( segid "HID " and resid 641 and name HB1 )) 3.200 1.300 1.300 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.12789E-02 ppm1 1.792 ppm2 1.359 CV 1 ASSI { 1050} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 624 and name HB2 )) 3.500 1.500 1.500 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 1.602 ppm2 1.295 CV 1 ASSI { 1057} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 672 and name HD1 )) 3.000 1.100 1.100 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 2.662 ppm2 1.649 CV 1 OR { 1057} (( segid "HID " and resid 672 and name HG1 )) (( segid "HID " and resid 672 and name HD2 )) ASSI { 1059} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 644 and name HB2 )) 2.400 0.700 0.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.22270E-02 ppm1 1.600 ppm2 1.955 CV 1 ASSI { 1062} (( segid "HID " and resid 671 and name HG1 )) ( segid "HID " and resid 678 and name HB% ) 2.400 0.700 0.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.41504E-02 ppm1 1.444 ppm2 2.436 CV 1 OR { 1062} (( segid "HID " and resid 671 and name HG2 )) ( segid "HID " and resid 678 and name HB% ) ASSI { 1063} (( segid "HID " and resid 674 and name HB2 )) ( segid "HID " and resid 678 and name HB% ) 2.800 1.000 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.19537E-02 ppm1 1.446 ppm2 2.554 CV 1 ASSI { 1064} (( segid "HID " and resid 671 and name HB1 )) ( segid "HID " and resid 678 and name HB% ) 3.300 1.300 1.300 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.18424E-02 ppm1 1.452 ppm2 2.224 CV 1 ASSI { 1066} (( segid "HID " and resid 673 and name HB )) ( segid "HID " and resid 673 and name HG2%) 2.600 0.800 0.800 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 1.221 ppm2 1.826 CV 1 ASSI { 1067} (( segid "HID " and resid 672 and name HB1 )) ( segid "HID " and resid 673 and name HG2%) 3.100 1.200 1.200 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 1.222 ppm2 2.055 CV 1 OR { 1067} (( segid "HID " and resid 672 and name HB2 )) ( segid "HID " and resid 673 and name HG2%) ASSI { 1073} (( segid "HID " and resid 668 and name HB1 )) ( segid "HID " and resid 669 and name HB% ) 4.000 2.000 2.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.55676E-03 ppm1 1.690 ppm2 1.963 CV 1 ASSI { 1075} ( segid "HID " and resid 626 and name HG2%) ( segid "HID " and resid 669 and name HB% ) 2.600 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.32292E-02 ppm1 1.689 ppm2 1.305 CV 1 ASSI { 1076} ( segid "HID " and resid 685 and name HD2%) ( segid "HID " and resid 692 and name HB% ) 2.200 0.600 0.600 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.72545E-02 ppm1 1.257 ppm2 0.735 CV 1 ASSI { 1077} ( segid "SID " and resid 223 and name HD2%) ( segid "HID " and resid 692 and name HB% ) 2.300 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 1.258 ppm2 0.806 CV 1 ASSI { 1081} ( segid "HID " and resid 665 and name HG2%) ( segid "HID " and resid 626 and name HG2%) 2.300 0.700 0.700 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.61750E-02 ppm1 1.309 ppm2 0.748 CV 1 ASSI { 1085} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 644 and name HG )) 2.300 0.700 0.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.58038E-02 ppm1 1.897 ppm2 0.670 CV 1 ASSI { 1086} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 644 and name HG )) 2.900 1.000 1.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 1.894 ppm2 0.818 CV 1 ASSI { 1087} ( segid "HID " and resid 623 and name HG2%) ( segid "HID " and resid 624 and name HD1%) 4.300 2.300 1.700 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.32157E-03 ppm1 1.306 ppm2 0.027 CV 1 ASSI { 1092} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 641 and name HG )) 2.900 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.16095E-02 ppm1 1.384 ppm2 0.984 CV 1 ASSI { 1093} (( segid "HID " and resid 610 and name HG12)) (( segid "HID " and resid 610 and name HG11)) 1.800 0.400 0.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.14172E-01 ppm1 1.284 ppm2 1.044 CV 1 ASSI { 1094} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 610 and name HG11)) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.61077E-02 ppm1 1.285 ppm2 0.775 CV 1 OR { 1094} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 610 and name HG11)) ASSI { 1099} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 691 and name HG11)) 2.100 0.500 0.500 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.12552E-01 ppm1 1.536 ppm2 0.850 CV 1 OR { 1099} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 691 and name HG11)) ASSI { 1100} ( segid "HID " and resid 620 and name HD2%) (( segid "HID " and resid 620 and name HG )) 2.000 0.500 0.500 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.14104E-01 ppm1 1.622 ppm2 0.852 CV 1 ASSI { 1101} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HG )) 2.200 0.600 0.600 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.93468E-02 ppm1 1.894 ppm2 0.860 CV 1 OR { 1101} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HG )) ASSI { 1102} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 670 and name HG )) 2.800 0.900 0.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 2.092 ppm2 0.846 CV 1 ASSI { 1103} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 670 and name HG )) 2.800 1.000 1.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.21258E-02 ppm1 2.098 ppm2 0.979 CV 1 ASSI { 1104} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 634 and name HG )) 3.000 1.100 1.100 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 1.902 ppm2 1.189 CV 1 ASSI { 1109} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 691 and name HG12)) 2.200 0.600 0.600 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.91781E-02 ppm1 1.340 ppm2 0.849 CV 1 OR { 1109} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 691 and name HG12)) ASSI { 1115} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 668 and name HD1 )) 2.500 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.56688E-02 ppm1 1.644 ppm2 0.910 CV 1 OR { 1115} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 668 and name HD2 )) ASSI { 1116} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HB2 )) 2.700 0.900 0.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.18390E-02 ppm1 2.107 ppm2 0.922 CV 1 ASSI { 1125} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 682 and name HG11)) 1.800 0.400 0.400 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.13261E-01 ppm1 1.753 ppm2 0.850 CV 1 OR { 1125} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 682 and name HG11)) ASSI { 1126} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 689 and name HB2 )) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 1.809 ppm2 1.032 CV 1 ASSI { 1130} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 648 and name HB1 )) 3.500 1.500 1.500 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.50952E-03 ppm1 2.322 ppm2 0.668 CV 1 ASSI { 1131} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 648 and name HB2 )) 3.600 1.600 1.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.89080E-03 ppm1 2.135 ppm2 0.811 CV 1 ASSI { 1133} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 696 and name HB )) 2.400 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.42516E-02 ppm1 1.976 ppm2 0.997 CV 1 ASSI { 1137} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 639 and name HB1 )) 2.100 0.500 0.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.14510E-01 ppm1 1.916 ppm2 1.572 CV 1 OR { 1137} (( segid "HID " and resid 639 and name HD2 )) (( segid "HID " and resid 639 and name HB2 )) OR { 1137} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 639 and name HB2 )) ASSI { 1139} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 631 and name HG11)) 2.600 0.900 0.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.24565E-02 ppm1 1.912 ppm2 0.744 CV 1 ASSI { 1141} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 638 and name HG2 )) 3.900 1.900 1.900 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.57025E-03 ppm1 2.247 ppm2 0.634 CV 1 OR { 1141} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 638 and name HG1 )) ASSI { 1143} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 721 and name HG1 )) 4.200 2.200 1.800 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.57025E-03 ppm1 2.352 ppm2 0.864 CV 1 ASSI { 1144} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HB2 )) 2.500 0.800 0.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.37117E-02 ppm1 1.841 ppm2 1.439 CV 1 OR { 1144} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HB1 )) ASSI { 1145} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HB1 )) 2.000 0.500 0.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.13632E-01 ppm1 1.844 ppm2 1.564 CV 1 OR { 1145} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HB2 )) ASSI { 1146} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 681 and name HB )) 2.700 0.900 0.900 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.20246E-02 ppm1 1.792 ppm2 1.056 CV 1 ASSI { 1149} (( segid "HID " and resid 681 and name HG12)) (( segid "HID " and resid 681 and name HB )) 3.100 1.200 1.200 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.94483E-03 ppm1 1.792 ppm2 -0.488 CV 1 ASSI { 1156} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 720 and name HG2 )) 4.100 2.100 1.900 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 2.245 ppm2 0.988 CV 1 ASSI { 1158} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 720 and name HG1 )) 3.600 1.700 1.700 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.66139E-03 ppm1 2.340 ppm2 0.983 CV 1 ASSI { 1163} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 682 and name HB )) 2.500 0.800 0.800 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.57025E-02 ppm1 1.849 ppm2 0.847 CV 1 OR { 1163} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 682 and name HB )) ASSI { 1169} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 631 and name HB )) 2.800 1.000 1.000 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.23418E-02 ppm1 2.192 ppm2 0.976 CV 1 OR { 1169} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 631 and name HB )) ASSI { 1171} ( segid "HID " and resid 665 and name HD1%) (( segid "HID " and resid 665 and name HB )) 2.800 1.000 1.000 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.22507E-02 ppm1 1.664 ppm2 0.809 CV 1 ASSI { 1172} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 635 and name HG1 )) 3.000 1.100 1.100 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.22203E-02 ppm1 2.596 ppm2 0.915 CV 1 ASSI { 1174} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 635 and name HG2 )) 2.600 0.800 0.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.32629E-02 ppm1 2.157 ppm2 0.913 CV 1 ASSI { 1175} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 695 and name HB )) 2.200 0.600 0.600 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.67826E-02 ppm1 2.024 ppm2 0.899 CV 1 OR { 1175} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 695 and name HB )) ASSI { 1177} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 610 and name HB )) 2.400 0.700 0.700 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.57700E-02 ppm1 1.720 ppm2 0.762 CV 1 OR { 1177} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 610 and name HB )) ASSI { 1178} (( segid "HID " and resid 610 and name HG12)) (( segid "HID " and resid 610 and name HB )) 3.400 1.400 1.400 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.79293E-03 ppm1 1.717 ppm2 1.049 CV 1 ASSI { 1181} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 628 and name HB2 )) 2.400 0.700 0.700 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.59727E-02 ppm1 1.893 ppm2 0.966 CV 1 OR { 1181} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 628 and name HB1 )) OR { 1181} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 628 and name HB2 )) OR { 1181} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 628 and name HB1 )) ASSI { 1183} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HB1 )) 3.100 1.200 1.200 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.18323E-02 ppm1 1.706 ppm2 0.921 CV 1 ASSI { 1184} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HB2 )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.44878E-02 ppm1 1.558 ppm2 0.923 CV 1 ASSI { 1187} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 670 and name HB1 )) 3.000 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.14510E-02 ppm1 2.091 ppm2 0.964 CV 1 ASSI { 1188} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 641 and name HB1 )) 3.000 1.100 1.100 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.15522E-02 ppm1 1.783 ppm2 0.629 CV 1 ASSI { 1191} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 685 and name HB2 )) 3.300 1.400 1.400 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.19740E-02 ppm1 1.253 ppm2 0.730 CV 1 ASSI { 1197} ( segid "HID " and resid 623 and name HG1%) (( segid "HID " and resid 672 and name HD2 )) 4.100 2.100 1.900 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.31988E-03 ppm1 2.670 ppm2 0.510 CV 1 OR { 1197} ( segid "HID " and resid 623 and name HG1%) (( segid "HID " and resid 672 and name HD1 )) ASSI { 1200} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 672 and name HD2 )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.93132E-03 ppm1 2.634 ppm2 1.595 CV 1 ASSI { 1203} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 654 and name HB1 )) 2.800 1.000 1.000 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.24666E-02 ppm1 1.748 ppm2 0.877 CV 1 ASSI { 1204} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 644 and name HB1 )) 3.400 1.500 1.500 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.51627E-03 ppm1 1.956 ppm2 0.668 CV 1 ASSI { 1208} ( segid "SID " and resid 207 and name HD2%) ( segid "HID " and resid 710 and name HB% ) 2.500 0.800 0.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.46903E-02 ppm1 1.629 ppm2 0.747 CV 1 OR { 1208} ( segid "SID " and resid 207 and name HD1%) ( segid "HID " and resid 710 and name HB% ) ASSI { 1212} (( segid "HID " and resid 707 and name HZ2 )) ( segid "HID " and resid 673 and name HG2%) 3.200 1.300 1.300 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 1.217 ppm2 -0.043 CV 1 ASSI { 1213} (( segid "HID " and resid 707 and name HH2 )) ( segid "HID " and resid 673 and name HG2%) 2.700 0.900 0.900 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.21866E-02 ppm1 1.224 ppm2 -0.883 CV 1 ASSI { 1217} (( segid "HID " and resid 707 and name HE3 )) ( segid "HID " and resid 624 and name HD1%) 3.100 1.200 1.200 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.16129E-02 ppm1 1.304 ppm2 -0.795 CV 1 ASSI { 1219} ( segid "HID " and resid 652 and name HE% ) (( segid "HID " and resid 640 and name HD1 )) 3.600 1.600 1.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.51964E-03 ppm1 1.727 ppm2 -0.773 CV 1 OR { 1219} ( segid "HID " and resid 652 and name HE% ) (( segid "HID " and resid 640 and name HD2 )) ASSI { 1220} (( segid "HID " and resid 707 and name HD1 )) ( segid "HID " and resid 710 and name HB% ) 3.600 1.700 1.700 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 1.585 ppm2 -1.021 CV 1 ASSI { 1221} ( segid "HID " and resid 714 and name HD% ) ( segid "HID " and resid 710 and name HB% ) 3.400 1.500 1.500 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.66139E-03 ppm1 1.588 ppm2 -0.798 CV 1 ASSI { 1223} (( segid "HID " and resid 666 and name HE1 )) ( segid "HID " and resid 629 and name HB% ) 3.600 1.600 1.600 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.26218E-03 ppm1 1.629 ppm2 -0.457 CV 1 ASSI { 1233} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 694 and name HG1 )) 2.600 0.900 0.900 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.17817E-02 ppm1 2.157 ppm2 3.582 CV 1 ASSI { 1234} (( segid "HID " and resid 694 and name HD2 )) (( segid "HID " and resid 694 and name HG1 )) 3.400 1.400 1.400 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.11068E-02 ppm1 2.158 ppm2 3.441 CV 1 ASSI { 1237} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 671 and name HB1 )) 2.900 1.100 1.100 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 2.232 ppm2 4.141 CV 1 ASSI { 1239} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 649 and name HB1 )) 3.100 1.200 1.200 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.10022E-02 ppm1 2.217 ppm2 3.808 CV 1 ASSI { 1240} (( segid "HID " and resid 707 and name HB1 )) (( segid "HID " and resid 707 and name HB2 )) 2.500 0.800 0.800 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 3.085 ppm2 3.529 CV 1 ASSI { 1241} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 711 and name HB1 )) 3.500 1.500 1.500 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 2.399 ppm2 4.140 CV 1 ASSI { 1242} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 711 and name HB1 )) 4.300 2.300 1.700 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.26421E-03 ppm1 2.416 ppm2 3.941 CV 1 ASSI { 1244} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 625 and name HB1 )) 3.100 1.200 1.200 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.82667E-03 ppm1 2.224 ppm2 3.735 CV 1 ASSI { 1245} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 635 and name HB1 )) 3.000 1.100 1.100 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.13295E-02 ppm1 2.233 ppm2 3.910 CV 1 ASSI { 1248} (( segid "HID " and resid 694 and name HA )) (( segid "HID " and resid 694 and name HB1 )) 2.600 0.900 0.900 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 2.323 ppm2 4.201 CV 1 ASSI { 1249} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 648 and name HB1 )) 3.500 1.500 1.500 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.44541E-03 ppm1 2.316 ppm2 4.071 CV 1 ASSI { 1250} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 702 and name HG2 )) 3.600 1.600 1.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.59048E-03 ppm1 2.529 ppm2 4.140 CV 1 ASSI { 1252} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 702 and name HB1 )) 2.700 0.900 0.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.26758E-02 ppm1 2.200 ppm2 4.144 CV 1 OR { 1252} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 702 and name HB2 )) ASSI { 1254} (( segid "HID " and resid 626 and name HB )) (( segid "HID " and resid 623 and name HA )) 3.400 1.500 1.500 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.57363E-03 ppm1 3.286 ppm2 4.260 CV 1 ASSI { 1256} (( segid "HID " and resid 628 and name HA )) (( segid "HID " and resid 631 and name HB )) 2.900 1.000 1.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 2.199 ppm2 4.145 CV 1 ASSI { 1257} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 635 and name HG1 )) 3.400 1.500 1.500 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.11911E-02 ppm1 2.599 ppm2 3.921 CV 1 ASSI { 1264} (( segid "HID " and resid 726 and name HA )) (( segid "HID " and resid 726 and name HB2 )) 2.600 0.800 0.800 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 2.920 ppm2 4.515 CV 1 ASSI { 1266} (( segid "HID " and resid 618 and name HA )) (( segid "HID " and resid 618 and name HB1 )) 3.100 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.15758E-02 ppm1 3.203 ppm2 4.512 CV 1 ASSI { 1268} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 618 and name HB2 )) 1.800 0.400 0.400 peak 1268 spectrum 1 weight 0.10000E+01 volume 0.14003E-01 ppm1 3.042 ppm2 3.201 CV 1 ASSI { 1273} (( segid "HID " and resid 627 and name HA )) (( segid "HID " and resid 627 and name HB2 )) 3.200 1.300 1.300 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.75583E-03 ppm1 2.929 ppm2 4.428 CV 1 ASSI { 1274} (( segid "HID " and resid 655 and name HA )) (( segid "HID " and resid 655 and name HB1 )) 2.900 1.100 1.100 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 2.816 ppm2 4.501 CV 1 ASSI { 1277} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 683 and name HB2 )) 2.500 0.800 0.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.39817E-02 ppm1 2.639 ppm2 4.404 CV 1 ASSI { 1281} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HE2 )) 3.600 1.600 1.600 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.49602E-03 ppm1 2.978 ppm2 4.081 CV 1 OR { 1281} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HE1 )) ASSI { 1282} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HE1 )) 3.800 1.800 1.800 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.71200E-03 ppm1 2.939 ppm2 4.199 CV 1 OR { 1282} (( segid "HID " and resid 716 and name HA )) (( segid "HID " and resid 716 and name HE2 )) ASSI { 1283} (( segid "HID " and resid 677 and name HA )) (( segid "HID " and resid 677 and name HE2 )) 4.200 2.300 1.800 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.45891E-03 ppm1 2.967 ppm2 4.710 CV 1 OR { 1283} (( segid "HID " and resid 677 and name HA )) (( segid "HID " and resid 677 and name HE1 )) ASSI { 1285} (( segid "HID " and resid 699 and name HD1 )) (( segid "HID " and resid 699 and name HD2 )) 2.400 0.700 0.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.19267E-02 ppm1 2.795 ppm2 3.118 CV 1 ASSI { 1288} (( segid "HID " and resid 612 and name HA )) (( segid "HID " and resid 612 and name HD2 )) 3.600 1.600 1.600 peak 1288 spectrum 1 weight 0.10000E+01 volume 0.76597E-03 ppm1 3.110 ppm2 4.325 CV 1 OR { 1288} (( segid "HID " and resid 612 and name HA )) (( segid "HID " and resid 612 and name HD1 )) ASSI { 1289} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HD2 )) 3.400 1.400 1.400 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.22608E-02 ppm1 3.200 ppm2 4.415 CV 1 OR { 1289} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HD1 )) ASSI { 1290} (( segid "HID " and resid 653 and name HA )) (( segid "HID " and resid 653 and name HD2 )) 3.700 1.800 1.800 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 3.228 ppm2 4.566 CV 1 ASSI { 1293} (( segid "HID " and resid 667 and name HA )) (( segid "HID " and resid 667 and name HD1 )) 3.100 1.200 1.200 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.15455E-02 ppm1 3.191 ppm2 3.897 CV 1 OR { 1293} (( segid "HID " and resid 667 and name HA )) (( segid "HID " and resid 667 and name HD2 )) ASSI { 1297} (( segid "HID " and resid 653 and name HD1 )) (( segid "HID " and resid 653 and name HA )) 3.600 1.600 1.600 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 4.568 ppm2 3.334 CV 1 ASSI { 1299} (( segid "HID " and resid 718 and name HB1 )) (( segid "HID " and resid 715 and name HA )) 3.100 1.200 1.200 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.95492E-03 ppm1 4.650 ppm2 3.311 CV 1 ASSI { 1300} (( segid "HID " and resid 718 and name HB2 )) (( segid "HID " and resid 715 and name HA )) 3.700 1.700 1.700 peak 1300 spectrum 1 weight 0.10000E+01 volume 0.82331E-03 ppm1 4.647 ppm2 3.196 CV 1 ASSI { 1303} (( segid "HID " and resid 609 and name HB1 )) (( segid "HID " and resid 609 and name HA )) 2.500 0.800 0.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.50952E-02 ppm1 4.597 ppm2 3.061 CV 1 OR { 1303} (( segid "HID " and resid 609 and name HB2 )) (( segid "HID " and resid 609 and name HA )) ASSI { 1306} (( segid "HID " and resid 699 and name HD1 )) (( segid "HID " and resid 699 and name HA )) 2.700 0.900 0.900 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.18491E-02 ppm1 3.921 ppm2 3.124 CV 1 ASSI { 1307} (( segid "HID " and resid 699 and name HD2 )) (( segid "HID " and resid 699 and name HA )) 3.200 1.300 1.300 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.14948E-02 ppm1 3.920 ppm2 2.792 CV 1 ASSI { 1308} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 645 and name HA )) 2.400 0.700 0.700 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.68834E-02 ppm1 4.438 ppm2 4.108 CV 1 ASSI { 1309} (( segid "HID " and resid 719 and name HD1 )) (( segid "HID " and resid 719 and name HA )) 4.300 2.300 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.34418E-03 ppm1 4.074 ppm2 3.149 CV 1 OR { 1309} (( segid "HID " and resid 719 and name HD2 )) (( segid "HID " and resid 719 and name HA )) ASSI { 1310} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 719 and name HA )) 3.900 1.900 1.900 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.31617E-03 ppm1 4.070 ppm2 2.465 CV 1 ASSI { 1311} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 719 and name HA )) 2.400 0.700 0.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.57025E-02 ppm1 4.071 ppm2 1.812 CV 1 OR { 1311} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 719 and name HA )) ASSI { 1312} (( segid "HID " and resid 726 and name HB1 )) (( segid "HID " and resid 726 and name HA )) 2.500 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.44541E-02 ppm1 4.510 ppm2 3.018 CV 1 ASSI { 1314} (( segid "HID " and resid 611 and name HB2 )) (( segid "HID " and resid 611 and name HA )) 2.500 0.800 0.800 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.33507E-02 ppm1 4.574 ppm2 2.902 CV 1 ASSI { 1315} (( segid "HID " and resid 611 and name HB1 )) (( segid "HID " and resid 611 and name HA )) 2.900 1.000 1.000 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.28648E-02 ppm1 4.573 ppm2 2.996 CV 1 ASSI { 1317} (( segid "HID " and resid 653 and name HD2 )) (( segid "HID " and resid 687 and name HA )) 3.100 1.200 1.200 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.13126E-02 ppm1 4.220 ppm2 3.229 CV 1 ASSI { 1318} (( segid "HID " and resid 662 and name HB1 )) (( segid "HID " and resid 662 and name HA )) 2.500 0.800 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.41504E-02 ppm1 4.518 ppm2 3.965 CV 1 ASSI { 1319} (( segid "HID " and resid 662 and name HB2 )) (( segid "HID " and resid 662 and name HA )) 2.900 1.100 1.100 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 4.515 ppm2 3.799 CV 1 ASSI { 1322} (( segid "HID " and resid 718 and name HB1 )) (( segid "HID " and resid 718 and name HA )) 2.900 1.100 1.100 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.28648E-02 ppm1 4.481 ppm2 3.306 CV 1 ASSI { 1325} (( segid "HID " and resid 621 and name HB1 )) (( segid "HID " and resid 618 and name HA )) 3.400 1.400 1.400 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.77270E-03 ppm1 4.506 ppm2 2.818 CV 1 ASSI { 1326} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 613 and name HA )) 2.500 0.800 0.800 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.44204E-02 ppm1 4.354 ppm2 2.893 CV 1 OR { 1326} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 613 and name HA )) ASSI { 1330} (( segid "HID " and resid 652 and name HB1 )) (( segid "HID " and resid 652 and name HA )) 3.000 1.100 1.100 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.23519E-02 ppm1 4.306 ppm2 3.175 CV 1 ASSI { 1331} (( segid "HID " and resid 652 and name HB2 )) (( segid "HID " and resid 652 and name HA )) 2.800 1.000 1.000 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.17749E-02 ppm1 4.304 ppm2 3.013 CV 1 ASSI { 1332} (( segid "HID " and resid 729 and name HB2 )) (( segid "HID " and resid 729 and name HA )) 3.100 1.200 1.200 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 4.260 ppm2 3.838 CV 1 OR { 1332} (( segid "HID " and resid 729 and name HB1 )) (( segid "HID " and resid 729 and name HA )) ASSI { 1333} (( segid "HID " and resid 652 and name HB1 )) (( segid "HID " and resid 649 and name HA )) 3.300 1.300 1.300 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.75247E-03 ppm1 3.793 ppm2 3.182 CV 1 ASSI { 1335} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 691 and name HA )) 4.100 2.100 1.900 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.43529E-03 ppm1 4.213 ppm2 3.586 CV 1 ASSI { 1336} (( segid "HID " and resid 690 and name HB1 )) (( segid "HID " and resid 690 and name HA )) 2.800 1.000 1.000 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.22540E-02 ppm1 4.056 ppm2 3.940 CV 1 ASSI { 1337} (( segid "HID " and resid 690 and name HB2 )) (( segid "HID " and resid 690 and name HA )) 2.600 0.800 0.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 4.056 ppm2 3.823 CV 1 ASSI { 1338} (( segid "HID " and resid 690 and name HB1 )) (( segid "HID " and resid 690 and name HB2 )) 2.100 0.600 0.600 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.59048E-02 ppm1 3.820 ppm2 3.933 CV 1 ASSI { 1343} (( segid "HID " and resid 662 and name HB2 )) (( segid "HID " and resid 662 and name HB1 )) 1.700 0.400 0.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.22507E-01 ppm1 3.960 ppm2 3.825 CV 1 ASSI { 1344} (( segid "HID " and resid 645 and name HB1 )) (( segid "HID " and resid 645 and name HB2 )) 2.000 0.500 0.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.88407E-02 ppm1 4.103 ppm2 4.392 CV 1 ASSI { 1346} (( segid "HID " and resid 626 and name HB )) (( segid "HID " and resid 626 and name HA )) 2.900 1.000 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.21292E-02 ppm1 3.988 ppm2 4.265 CV 1 ASSI { 1347} (( segid "HID " and resid 685 and name HA )) (( segid "HID " and resid 689 and name HA )) 3.100 1.200 1.200 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.89758E-03 ppm1 4.412 ppm2 3.700 CV 1 ASSI { 1351} (( segid "HID " and resid 627 and name HB2 )) (( segid "HID " and resid 627 and name HB1 )) 2.300 0.600 0.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 3.336 ppm2 2.934 CV 1 ASSI { 1354} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 684 and name HA1 )) 2.100 0.500 0.500 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.65797E-02 ppm1 3.972 ppm2 3.494 CV 1 ASSI { 1356} (( segid "HID " and resid 666 and name HB2 )) (( segid "HID " and resid 666 and name HA )) 2.900 1.100 1.100 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.28141E-02 ppm1 4.760 ppm2 3.034 CV 1 ASSI { 1357} (( segid "HID " and resid 666 and name HB1 )) (( segid "HID " and resid 666 and name HA )) 2.700 0.900 0.900 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.21460E-02 ppm1 4.762 ppm2 3.096 CV 1 ASSI { 1359} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 666 and name HA )) 3.200 1.300 1.300 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.97857E-03 ppm1 4.762 ppm2 1.199 CV 1 ASSI { 1360} ( segid "HID " and resid 607 and name HB% ) (( segid "HID " and resid 607 and name HA )) 2.700 0.900 0.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.29154E-02 ppm1 4.277 ppm2 1.360 CV 1 ASSI { 1363} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 650 and name HA )) 2.100 0.500 0.500 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.13531E-01 ppm1 4.261 ppm2 1.565 CV 1 ASSI { 1366} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 629 and name HA )) 2.100 0.500 0.500 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.14239E-01 ppm1 4.170 ppm2 1.632 CV 1 ASSI { 1367} (( segid "HID " and resid 695 and name HG12)) (( segid "HID " and resid 692 and name HA )) 4.300 2.300 1.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.55676E-03 ppm1 4.057 ppm2 1.343 CV 1 ASSI { 1370} (( segid "HID " and resid 658 and name HB1 )) (( segid "HID " and resid 658 and name HA )) 3.100 1.200 1.200 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.13497E-02 ppm1 4.058 ppm2 1.732 CV 1 ASSI { 1373} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 678 and name HA )) 2.800 1.000 1.000 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.18592E-02 ppm1 3.521 ppm2 1.792 CV 1 ASSI { 1377} (( segid "HID " and resid 658 and name HG )) (( segid "HID " and resid 658 and name HA )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.25037E-02 ppm1 4.093 ppm2 1.531 CV 1 OR { 1377} (( segid "HID " and resid 658 and name HB2 )) (( segid "HID " and resid 658 and name HA )) ASSI { 1378} (( segid "HID " and resid 727 and name HB1 )) (( segid "HID " and resid 727 and name HA )) 2.300 0.700 0.700 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.71200E-02 ppm1 4.303 ppm2 1.574 CV 1 OR { 1378} (( segid "HID " and resid 727 and name HB2 )) (( segid "HID " and resid 727 and name HA )) ASSI { 1379} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HA )) 2.600 0.900 0.900 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.38804E-02 ppm1 4.329 ppm2 1.532 CV 1 OR { 1379} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HA )) ASSI { 1380} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 612 and name HA )) 2.700 0.900 0.900 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 4.328 ppm2 1.686 CV 1 ASSI { 1381} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HA )) 2.600 0.800 0.800 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 4.327 ppm2 1.801 CV 1 ASSI { 1382} (( segid "HID " and resid 651 and name HG2 )) (( segid "HID " and resid 651 and name HA )) 2.700 0.900 0.900 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 4.404 ppm2 1.537 CV 1 ASSI { 1386} (( segid "HID " and resid 674 and name HB2 )) (( segid "HID " and resid 678 and name HA )) 3.500 1.500 1.500 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 3.525 ppm2 2.555 CV 1 ASSI { 1387} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 678 and name HA )) 3.500 1.500 1.500 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.41504E-03 ppm1 3.523 ppm2 2.886 CV 1 ASSI { 1389} (( segid "HID " and resid 703 and name HB1 )) (( segid "HID " and resid 703 and name HA )) 2.900 1.000 1.000 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.17749E-02 ppm1 3.410 ppm2 1.273 CV 1 ASSI { 1390} (( segid "HID " and resid 703 and name HG1 )) (( segid "HID " and resid 703 and name HA )) 3.000 1.100 1.100 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.19031E-02 ppm1 3.410 ppm2 1.393 CV 1 OR { 1390} (( segid "HID " and resid 703 and name HG2 )) (( segid "HID " and resid 703 and name HA )) ASSI { 1391} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 646 and name HA )) 3.700 1.800 1.800 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.11709E-02 ppm1 3.990 ppm2 2.224 CV 1 OR { 1391} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 646 and name HA )) ASSI { 1392} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 646 and name HA )) 3.600 1.600 1.600 peak 1392 spectrum 1 weight 0.10000E+01 volume 0.48253E-03 ppm1 3.986 ppm2 2.668 CV 1 ASSI { 1393} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 646 and name HA )) 2.200 0.600 0.600 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.98193E-02 ppm1 3.983 ppm2 1.488 CV 1 ASSI { 1396} (( segid "HID " and resid 721 and name HB1 )) (( segid "HID " and resid 721 and name HA )) 2.500 0.800 0.800 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.43529E-02 ppm1 4.203 ppm2 2.061 CV 1 ASSI { 1398} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 724 and name HA )) 2.400 0.700 0.700 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.57700E-02 ppm1 4.134 ppm2 1.609 CV 1 OR { 1398} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 724 and name HA )) ASSI { 1399} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HA )) 3.100 1.200 1.200 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.12384E-02 ppm1 4.130 ppm2 1.219 CV 1 OR { 1399} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HA )) ASSI { 1400} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 728 and name HA )) 2.700 0.900 0.900 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.24430E-02 ppm1 4.349 ppm2 1.878 CV 1 ASSI { 1401} (( segid "HID " and resid 683 and name HB1 )) (( segid "HID " and resid 680 and name HA )) 2.600 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 4.362 ppm2 2.758 CV 1 ASSI { 1402} (( segid "HID " and resid 683 and name HB2 )) (( segid "HID " and resid 680 and name HA )) 3.000 1.200 1.200 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.29221E-02 ppm1 4.360 ppm2 2.642 CV 1 ASSI { 1403} (( segid "HID " and resid 680 and name HB2 )) (( segid "HID " and resid 680 and name HA )) 2.700 0.900 0.900 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.28007E-02 ppm1 4.362 ppm2 2.398 CV 1 ASSI { 1406} (( segid "HID " and resid 623 and name HB )) (( segid "HID " and resid 620 and name HA )) 3.000 1.200 1.200 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.21697E-02 ppm1 3.944 ppm2 1.919 CV 1 ASSI { 1407} (( segid "HID " and resid 702 and name HB2 )) (( segid "HID " and resid 699 and name HA )) 3.000 1.100 1.100 peak 1407 spectrum 1 weight 0.10000E+01 volume 0.14813E-02 ppm1 3.923 ppm2 2.199 CV 1 OR { 1407} (( segid "HID " and resid 702 and name HB1 )) (( segid "HID " and resid 699 and name HA )) ASSI { 1408} (( segid "HID " and resid 617 and name HD2 )) (( segid "HID " and resid 617 and name HA )) 3.900 1.900 1.900 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.75919E-03 ppm1 3.940 ppm2 2.914 CV 1 OR { 1408} (( segid "HID " and resid 617 and name HD1 )) (( segid "HID " and resid 617 and name HA )) ASSI { 1410} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 699 and name HA )) 3.200 1.200 1.200 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.97857E-03 ppm1 3.921 ppm2 2.310 CV 1 OR { 1410} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 699 and name HA )) ASSI { 1411} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 617 and name HA )) 2.500 0.800 0.800 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.29964E-02 ppm1 3.930 ppm2 1.504 CV 1 ASSI { 1413} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 719 and name HA )) 3.100 1.200 1.200 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.15994E-02 ppm1 4.073 ppm2 1.543 CV 1 ASSI { 1415} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 641 and name HA )) 3.100 1.200 1.200 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.97515E-03 ppm1 3.585 ppm2 1.799 CV 1 ASSI { 1416} (( segid "HID " and resid 641 and name HG )) (( segid "HID " and resid 641 and name HA )) 3.400 1.400 1.400 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.79972E-03 ppm1 3.579 ppm2 1.360 CV 1 ASSI { 1417} (( segid "HID " and resid 641 and name HB2 )) (( segid "HID " and resid 641 and name HA )) 3.400 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.83682E-03 ppm1 3.585 ppm2 1.259 CV 1 ASSI { 1419} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 685 and name HA )) 3.600 1.600 1.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.56351E-03 ppm1 3.710 ppm2 1.623 CV 1 ASSI { 1420} (( segid "HID " and resid 672 and name HD1 )) (( segid "HID " and resid 672 and name HA )) 3.000 1.200 1.200 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.15353E-02 ppm1 3.979 ppm2 2.665 CV 1 OR { 1420} (( segid "HID " and resid 672 and name HD2 )) (( segid "HID " and resid 672 and name HA )) ASSI { 1421} (( segid "HID " and resid 672 and name HG2 )) (( segid "HID " and resid 672 and name HA )) 2.700 0.900 0.900 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 3.972 ppm2 1.587 CV 1 ASSI { 1424} (( segid "HID " and resid 711 and name HG1 )) (( segid "HID " and resid 711 and name HA )) 2.600 0.800 0.800 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.30706E-02 ppm1 3.933 ppm2 2.423 CV 1 ASSI { 1430} (( segid "HID " and resid 621 and name HB2 )) (( segid "HID " and resid 621 and name HA )) 2.600 0.900 0.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.30638E-02 ppm1 4.349 ppm2 2.653 CV 1 ASSI { 1432} (( segid "HID " and resid 683 and name HB1 )) (( segid "HID " and resid 683 and name HA )) 2.800 1.000 1.000 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.37792E-02 ppm1 4.415 ppm2 2.772 CV 1 ASSI { 1433} (( segid "HID " and resid 621 and name HB1 )) (( segid "HID " and resid 621 and name HA )) 3.000 1.100 1.100 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.19976E-02 ppm1 4.351 ppm2 2.816 CV 1 ASSI { 1435} (( segid "HID " and resid 725 and name HB2 )) (( segid "HID " and resid 725 and name HA )) 2.600 0.900 0.900 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.38467E-02 ppm1 4.464 ppm2 2.848 CV 1 ASSI { 1436} (( segid "HID " and resid 725 and name HB1 )) (( segid "HID " and resid 725 and name HA )) 2.400 0.700 0.700 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.49602E-02 ppm1 4.465 ppm2 2.965 CV 1 ASSI { 1437} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 621 and name HA )) 3.500 1.600 1.600 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.15758E-02 ppm1 4.345 ppm2 2.105 CV 1 ASSI { 1438} (( segid "HID " and resid 686 and name HB1 )) (( segid "HID " and resid 683 and name HA )) 2.700 0.900 0.900 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.27399E-02 ppm1 4.411 ppm2 1.910 CV 1 OR { 1438} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 683 and name HA )) ASSI { 1440} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 621 and name HA )) 3.200 1.300 1.300 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.68162E-03 ppm1 4.345 ppm2 1.613 CV 1 ASSI { 1442} (( segid "HID " and resid 716 and name HG2 )) (( segid "HID " and resid 716 and name HA )) 2.700 0.900 0.900 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.24160E-02 ppm1 4.162 ppm2 1.395 CV 1 ASSI { 1445} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HA )) 2.800 1.000 1.000 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.26589E-02 ppm1 4.223 ppm2 1.440 CV 1 ASSI { 1448} (( segid "HID " and resid 716 and name HD2 )) (( segid "HID " and resid 716 and name HA )) 3.100 1.200 1.200 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.15657E-02 ppm1 4.166 ppm2 1.675 CV 1 OR { 1448} (( segid "HID " and resid 716 and name HD1 )) (( segid "HID " and resid 716 and name HA )) ASSI { 1449} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 716 and name HA )) 2.100 0.600 0.600 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.10764E-01 ppm1 4.162 ppm2 1.886 CV 1 OR { 1449} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HA )) ASSI { 1450} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 687 and name HA )) 2.200 0.600 0.600 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.10359E-01 ppm1 4.219 ppm2 1.848 CV 1 OR { 1450} (( segid "HID " and resid 687 and name HB2 )) (( segid "HID " and resid 687 and name HA )) ASSI { 1452} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 711 and name HA )) 2.200 0.600 0.600 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.64788E-02 ppm1 3.938 ppm2 2.110 CV 1 ASSI { 1456} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 648 and name HA )) 2.300 0.600 0.600 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.63437E-02 ppm1 4.082 ppm2 2.280 CV 1 ASSI { 1457} (( segid "HID " and resid 702 and name HG1 )) (( segid "HID " and resid 702 and name HA )) 3.200 1.300 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.10967E-02 ppm1 4.144 ppm2 2.723 CV 1 ASSI { 1459} (( segid "HID " and resid 714 and name HB1 )) (( segid "HID " and resid 711 and name HA )) 3.500 1.600 1.600 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.65124E-03 ppm1 3.937 ppm2 3.084 CV 1 OR { 1459} (( segid "HID " and resid 714 and name HB2 )) (( segid "HID " and resid 711 and name HA )) ASSI { 1462} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 648 and name HA )) 2.700 0.900 0.900 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.41841E-02 ppm1 4.077 ppm2 2.442 CV 1 ASSI { 1469} (( segid "HID " and resid 704 and name HB1 )) (( segid "HID " and resid 704 and name HA )) 2.300 0.700 0.700 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.59727E-02 ppm1 3.825 ppm2 1.907 CV 1 OR { 1469} (( segid "HID " and resid 704 and name HB2 )) (( segid "HID " and resid 704 and name HA )) ASSI { 1474} (( segid "HID " and resid 647 and name HG2 )) (( segid "HID " and resid 647 and name HA )) 2.500 0.800 0.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.54326E-02 ppm1 4.089 ppm2 2.330 CV 1 OR { 1474} (( segid "HID " and resid 647 and name HG1 )) (( segid "HID " and resid 647 and name HA )) ASSI { 1476} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 649 and name HA )) 3.400 1.400 1.400 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.94819E-03 ppm1 3.796 ppm2 2.675 CV 1 ASSI { 1480} (( segid "HID " and resid 632 and name HG2 )) (( segid "HID " and resid 632 and name HA )) 2.600 0.800 0.800 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.31212E-02 ppm1 4.115 ppm2 1.747 CV 1 ASSI { 1488} (( segid "HID " and resid 649 and name HB2 )) (( segid "HID " and resid 649 and name HA )) 3.000 1.100 1.100 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.20820E-02 ppm1 3.791 ppm2 2.062 CV 1 ASSI { 1491} (( segid "HID " and resid 667 and name HG2 )) (( segid "HID " and resid 667 and name HA )) 3.300 1.400 1.400 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.11473E-02 ppm1 3.880 ppm2 1.491 CV 1 ASSI { 1492} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 667 and name HA )) 2.900 1.000 1.000 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.17107E-02 ppm1 3.882 ppm2 1.620 CV 1 ASSI { 1500} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 681 and name HA )) 3.400 1.400 1.400 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 3.470 ppm2 1.806 CV 1 ASSI { 1501} ( segid "HID " and resid 661 and name HG2%) (( segid "HID " and resid 661 and name HA )) 2.800 1.000 1.000 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.23350E-02 ppm1 4.310 ppm2 1.263 CV 1 ASSI { 1502} ( segid "HID " and resid 657 and name HG2%) (( segid "HID " and resid 657 and name HA )) 2.900 1.000 1.000 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.24531E-02 ppm1 4.223 ppm2 1.188 CV 1 ASSI { 1506} (( segid "HID " and resid 695 and name HG11)) (( segid "HID " and resid 695 and name HA )) 3.000 1.100 1.100 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.19571E-02 ppm1 3.790 ppm2 1.736 CV 1 ASSI { 1507} (( segid "HID " and resid 695 and name HG12)) (( segid "HID " and resid 695 and name HA )) 2.700 0.900 0.900 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.23249E-02 ppm1 3.788 ppm2 1.345 CV 1 ASSI { 1513} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 717 and name HA )) 2.800 1.000 1.000 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.21123E-02 ppm1 3.975 ppm2 0.870 CV 1 ASSI { 1515} (( segid "HID " and resid 637 and name HG12)) (( segid "HID " and resid 637 and name HA )) 2.800 1.000 1.000 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.19166E-02 ppm1 3.725 ppm2 1.347 CV 1 ASSI { 1519} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 682 and name HA )) 2.700 0.900 0.900 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.30571E-02 ppm1 3.521 ppm2 0.908 CV 1 ASSI { 1523} (( segid "HID " and resid 622 and name HB )) (( segid "HID " and resid 622 and name HA )) 2.800 1.000 1.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.27129E-02 ppm1 3.733 ppm2 2.115 CV 1 ASSI { 1524} (( segid "HID " and resid 625 and name HB1 )) (( segid "HID " and resid 622 and name HA )) 2.900 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.18727E-02 ppm1 3.731 ppm2 2.209 CV 1 OR { 1524} (( segid "HID " and resid 625 and name HB2 )) (( segid "HID " and resid 622 and name HA )) ASSI { 1525} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 696 and name HA )) 2.900 1.000 1.000 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.19098E-02 ppm1 3.745 ppm2 2.348 CV 1 OR { 1525} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 696 and name HA )) ASSI { 1526} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 622 and name HA )) 2.300 0.600 0.600 peak 1526 spectrum 1 weight 0.10000E+01 volume 0.87056E-02 ppm1 3.734 ppm2 0.869 CV 1 OR { 1526} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 622 and name HA )) ASSI { 1531} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 633 and name HA )) 2.900 1.000 1.000 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.19908E-02 ppm1 3.896 ppm2 0.847 CV 1 ASSI { 1532} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 633 and name HA )) 3.000 1.100 1.100 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.16028E-02 ppm1 3.899 ppm2 1.623 CV 1 ASSI { 1535} ( segid "HID " and resid 665 and name HG2%) (( segid "HID " and resid 626 and name HA )) 3.900 1.900 1.900 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.36105E-03 ppm1 3.993 ppm2 0.761 CV 1 ASSI { 1539} (( segid "HID " and resid 694 and name HG2 )) (( segid "HID " and resid 694 and name HA )) 4.100 2.100 1.900 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.52302E-03 ppm1 4.209 ppm2 2.004 CV 1 ASSI { 1540} (( segid "HID " and resid 694 and name HG1 )) (( segid "HID " and resid 694 and name HA )) 4.200 2.200 1.800 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.35430E-03 ppm1 4.209 ppm2 2.156 CV 1 ASSI { 1543} (( segid "HID " and resid 631 and name HB )) (( segid "HID " and resid 631 and name HA )) 3.500 1.500 1.500 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.53989E-03 ppm1 3.405 ppm2 2.206 CV 1 ASSI { 1545} (( segid "HID " and resid 623 and name HB )) (( segid "HID " and resid 623 and name HA )) 3.400 1.400 1.400 peak 1545 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 3.283 ppm2 1.922 CV 1 ASSI { 1547} ( segid "HID " and resid 661 and name HG2%) (( segid "HID " and resid 661 and name HB )) 2.300 0.700 0.700 peak 1547 spectrum 1 weight 0.10000E+01 volume 0.77270E-02 ppm1 4.335 ppm2 1.267 CV 1 ASSI { 1549} (( segid "HID " and resid 696 and name HB )) (( segid "HID " and resid 693 and name HA )) 3.100 1.200 1.200 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.96506E-03 ppm1 3.577 ppm2 1.967 CV 1 ASSI { 1550} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 693 and name HA )) 2.600 0.900 0.900 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.32933E-02 ppm1 3.579 ppm2 1.038 CV 1 ASSI { 1552} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 688 and name HB1 )) 2.700 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 3.036 ppm2 1.810 CV 1 ASSI { 1555} (( segid "HID " and resid 668 and name HG2 )) (( segid "HID " and resid 668 and name HE1 )) 2.400 0.700 0.700 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.60735E-02 ppm1 2.880 ppm2 1.441 CV 1 OR { 1555} (( segid "HID " and resid 668 and name HG2 )) (( segid "HID " and resid 668 and name HE2 )) ASSI { 1557} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 651 and name HE2 )) 3.700 1.700 1.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.11203E-02 ppm1 2.975 ppm2 2.467 CV 1 OR { 1557} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 651 and name HE1 )) ASSI { 1559} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 651 and name HE2 )) 2.300 0.600 0.600 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.52302E-02 ppm1 2.976 ppm2 2.037 CV 1 OR { 1559} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 651 and name HE1 )) ASSI { 1562} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 668 and name HE1 )) 3.100 1.200 1.200 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.20718E-02 ppm1 2.891 ppm2 1.964 CV 1 OR { 1562} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 668 and name HE2 )) ASSI { 1564} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HE2 )) 2.500 0.800 0.800 peak 1564 spectrum 1 weight 0.10000E+01 volume 0.50277E-02 ppm1 2.907 ppm2 1.223 CV 1 OR { 1564} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HE2 )) OR { 1564} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HE1 )) OR { 1564} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HE1 )) ASSI { 1565} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 668 and name HE1 )) 3.000 1.200 1.200 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.18997E-02 ppm1 2.885 ppm2 0.982 CV 1 OR { 1565} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 668 and name HE2 )) ASSI { 1569} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HD2 )) 2.300 0.700 0.700 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.72209E-02 ppm1 3.199 ppm2 2.072 CV 1 OR { 1569} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HD1 )) ASSI { 1579} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 653 and name HD1 )) 2.300 0.700 0.700 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.61414E-02 ppm1 3.329 ppm2 1.670 CV 1 OR { 1579} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 653 and name HD1 )) ASSI { 1581} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 617 and name HD2 )) 2.300 0.600 0.600 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.70185E-02 ppm1 2.922 ppm2 1.335 CV 1 OR { 1581} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 617 and name HD1 )) OR { 1581} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 617 and name HD1 )) OR { 1581} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 617 and name HD2 )) ASSI { 1582} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 617 and name HD2 )) 2.800 1.000 1.000 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.20549E-02 ppm1 2.923 ppm2 1.493 CV 1 OR { 1582} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 617 and name HD1 )) ASSI { 1583} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 617 and name HD2 )) 3.000 1.100 1.100 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.17276E-02 ppm1 2.919 ppm2 1.578 CV 1 OR { 1583} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 617 and name HD1 )) ASSI { 1584} (( segid "HID " and resid 693 and name HB )) (( segid "HID " and resid 694 and name HD2 )) 3.300 1.400 1.400 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.18424E-02 ppm1 3.441 ppm2 2.412 CV 1 ASSI { 1587} (( segid "HID " and resid 693 and name HB )) (( segid "HID " and resid 694 and name HD1 )) 2.500 0.800 0.800 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.17142E-02 ppm1 3.584 ppm2 2.409 CV 1 ASSI { 1591} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 694 and name HD1 )) 4.600 2.700 1.400 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.36442E-03 ppm1 3.586 ppm2 0.860 CV 1 ASSI { 1599} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 658 and name HA )) 2.900 1.100 1.100 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.28986E-02 ppm1 4.090 ppm2 0.729 CV 1 OR { 1599} ( segid "HID " and resid 658 and name HD2%) (( segid "HID " and resid 658 and name HA )) ASSI { 1600} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 679 and name HA )) 3.000 1.100 1.100 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.19807E-02 ppm1 3.962 ppm2 0.847 CV 1 OR { 1600} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 679 and name HA )) ASSI { 1601} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 679 and name HA )) 3.600 1.600 1.600 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 3.963 ppm2 0.912 CV 1 ASSI { 1602} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 678 and name HA )) 3.700 1.800 1.800 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.47915E-03 ppm1 3.521 ppm2 1.060 CV 1 ASSI { 1608} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 628 and name HA )) 3.400 1.400 1.400 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.22439E-02 ppm1 4.145 ppm2 0.746 CV 1 ASSI { 1609} ( segid "HID " and resid 634 and name HD2%) (( segid "HID " and resid 634 and name HA )) 2.300 0.700 0.700 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.72209E-02 ppm1 4.110 ppm2 0.861 CV 1 OR { 1609} ( segid "HID " and resid 634 and name HD1%) (( segid "HID " and resid 634 and name HA )) ASSI { 1610} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 628 and name HA )) 2.400 0.700 0.700 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 4.144 ppm2 0.976 CV 1 OR { 1610} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 628 and name HA )) ASSI { 1611} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 621 and name HA )) 3.100 1.200 1.200 peak 1611 spectrum 1 weight 0.10000E+01 volume 0.16939E-02 ppm1 4.350 ppm2 0.922 CV 1 ASSI { 1612} (( segid "HID " and resid 718 and name HE3 )) (( segid "HID " and resid 719 and name HA )) 4.000 2.000 2.000 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.28209E-03 ppm1 4.078 ppm2 -0.451 CV 1 ASSI { 1616} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 685 and name HA )) 4.600 2.700 1.400 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.27298E-03 ppm1 3.710 ppm2 1.052 CV 1 ASSI { 1620} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 619 and name HA )) 2.900 1.000 1.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.29424E-02 ppm1 4.030 ppm2 0.871 CV 1 OR { 1620} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 619 and name HA )) ASSI { 1622} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 683 and name HA )) 3.100 1.200 1.200 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 4.407 ppm2 0.920 CV 1 ASSI { 1624} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 701 and name HA )) 2.700 0.900 0.900 peak 1624 spectrum 1 weight 0.10000E+01 volume 0.22338E-02 ppm1 3.956 ppm2 0.741 CV 1 ASSI { 1625} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 635 and name HA )) 2.700 0.900 0.900 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.30706E-02 ppm1 3.919 ppm2 0.912 CV 1 ASSI { 1628} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 689 and name HA )) 4.000 2.000 2.000 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 4.413 ppm2 0.735 CV 1 ASSI { 1629} ( segid "HID " and resid 681 and name HD1%) ( segid "HID " and resid 673 and name HD1%) 3.200 3.200 2.800 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.18694E-02 ppm1 0.677 ppm2 0.168 CV 1 ASSI { 1630} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 728 and name HB2 )) 1.500 0.300 0.700 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.38804E-01 ppm1 1.751 ppm2 1.876 CV 1 ASSI { 1632} ( segid "HID " and resid 714 and name HD% ) ( segid "HID " and resid 620 and name HD1%) 2.900 1.000 1.000 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.19369E-02 ppm1 0.920 ppm2 -0.783 CV 1 ASSI { 1636} (( segid "HID " and resid 634 and name HB2 )) ( segid "HID " and resid 634 and name HD2%) 2.900 1.000 1.000 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.21966E-02 ppm1 0.860 ppm2 1.369 CV 1 ASSI { 1640} ( segid "SID " and resid 211 and name HD1%) (( segid "HID " and resid 703 and name HE2 )) 3.600 1.600 1.600 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.65460E-03 ppm1 2.756 ppm2 0.874 CV 1 ASSI { 1641} (( segid "SID " and resid 210 and name HA )) ( segid "HID " and resid 673 and name HG2%) 3.700 1.700 1.700 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.59390E-03 ppm1 1.228 ppm2 4.461 CV 1 ASSI { 1642} ( segid "HID " and resid 714 and name HD% ) ( segid "HID " and resid 620 and name HD2%) 3.300 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.83010E-03 ppm1 0.849 ppm2 -0.785 CV 1 ASSI { 1643} ( segid "SID " and resid 211 and name HD1%) ( segid "HID " and resid 702 and name HE% ) 3.200 1.300 1.300 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.12249E-02 ppm1 2.062 ppm2 0.870 CV 1 ASSI { 1646} ( segid "SID " and resid 209 and name HE% ) ( segid "HID " and resid 623 and name HG2%) 4.300 2.300 1.700 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.22608E-03 ppm1 0.028 ppm2 -1.172 CV 1 ASSI { 1648} (( segid "SID " and resid 211 and name HG )) ( segid "HID " and resid 702 and name HE% ) 3.600 1.600 1.600 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.75583E-03 ppm1 2.064 ppm2 1.603 CV 1 ASSI { 1651} ( segid "SID " and resid 210 and name HD1%) ( segid "HID " and resid 675 and name HB% ) 2.800 1.000 1.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.26691E-02 ppm1 1.689 ppm2 1.015 CV 1 ASSI { 1652} ( segid "SID " and resid 210 and name HD2%) ( segid "HID " and resid 675 and name HB% ) 2.500 0.800 0.800 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.49602E-02 ppm1 1.690 ppm2 0.950 CV 1 ASSI { 1653} ( segid "HID " and resid 665 and name HD1%) ( segid "HID " and resid 629 and name HB% ) 2.600 0.900 0.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.30706E-02 ppm1 1.692 ppm2 0.848 CV 1 ASSI { 1654} ( segid "HID " and resid 620 and name HD1%) (( segid "HID " and resid 620 and name HG )) 2.000 0.500 0.500 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.13666E-01 ppm1 1.637 ppm2 0.922 CV 1 ASSI { 1655} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 691 and name HG11)) 2.600 0.800 0.800 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.79293E-02 ppm1 1.577 ppm2 0.914 CV 1 ASSI { 1656} ( segid "SID " and resid 211 and name HD2%) ( segid "HID " and resid 702 and name HE% ) 2.700 0.900 0.900 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.28783E-02 ppm1 2.062 ppm2 0.717 CV 1 ASSI { 1657} ( segid "SID " and resid 209 and name HE% ) ( segid "HID " and resid 620 and name HD2%) 3.700 1.700 1.700 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.49602E-03 ppm1 0.846 ppm2 -1.172 CV 1 ASSI { 1658} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 677 and name HG2 )) 3.700 1.700 1.700 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.46903E-03 ppm1 1.579 ppm2 0.942 CV 1 ASSI { 1659} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 677 and name HE1 )) 2.600 0.800 0.800 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.48253E-02 ppm1 2.967 ppm2 0.933 CV 1 OR { 1659} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 677 and name HE2 )) ASSI { 1660} ( segid "HID " and resid 682 and name HD1%) ( segid "HID " and resid 678 and name HB% ) 2.600 0.900 0.900 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.35093E-02 ppm1 1.453 ppm2 0.844 CV 1 OR { 1660} (( segid "HID " and resid 682 and name HG12)) ( segid "HID " and resid 678 and name HB% ) ASSI { 1664} (( segid "HID " and resid 680 and name HB1 )) ( segid "HID " and resid 681 and name HD1%) 3.400 1.500 1.500 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.69513E-03 ppm1 0.200 ppm2 2.727 CV 1 ASSI { 1666} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 688 and name HB2 )) 3.600 1.600 1.600 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.12519E-02 ppm1 2.536 ppm2 0.837 CV 1 ASSI { 1667} ( segid "HID " and resid 691 and name HG2%) (( segid "HID " and resid 688 and name HB1 )) 4.300 2.300 1.700 peak 1667 spectrum 1 weight 0.10000E+01 volume 0.45553E-03 ppm1 3.045 ppm2 0.884 CV 1 ASSI { 1675} (( segid "SID " and resid 223 and name HG )) ( segid "HID " and resid 695 and name HD1%) 2.500 0.800 0.800 peak 1675 spectrum 1 weight 0.10000E+01 volume 0.47915E-02 ppm1 0.875 ppm2 1.824 CV 1 ASSI { 1676} (( segid "SID " and resid 211 and name HA )) ( segid "HID " and resid 702 and name HE% ) 4.200 2.200 1.800 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.31111E-03 ppm1 2.060 ppm2 4.464 CV 1 ASSI { 1679} ( segid "HID " and resid 611 and name HD% ) (( segid "HID " and resid 611 and name HA )) 2.900 1.100 1.100 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 4.571 ppm2 -0.924 CV 1 ASSI { 1681} (( segid "HID " and resid 619 and name HB1 )) (( segid "HID " and resid 619 and name HA )) 2.100 0.600 0.600 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.11540E-01 ppm1 4.027 ppm2 2.042 CV 1 OR { 1681} (( segid "HID " and resid 619 and name HB2 )) (( segid "HID " and resid 619 and name HA )) ASSI { 1683} (( segid "HID " and resid 632 and name HD1 )) (( segid "HID " and resid 632 and name HG2 )) 2.900 1.000 1.000 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.19436E-02 ppm1 1.745 ppm2 3.262 CV 1 ASSI { 1684} ( segid "HID " and resid 652 and name HD% ) (( segid "HID " and resid 652 and name HA )) 3.200 1.300 1.300 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.94819E-03 ppm1 4.307 ppm2 -0.903 CV 1 ASSI { 1685} ( segid "HID " and resid 674 and name HD% ) (( segid "HID " and resid 674 and name HA )) 3.100 1.200 1.200 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.88743E-03 ppm1 4.671 ppm2 -0.886 CV 1 ASSI { 1686} (( segid "HID " and resid 682 and name HA )) (( segid "HID " and resid 682 and name HG12)) 3.100 1.200 1.200 peak 1686 spectrum 1 weight 0.10000E+01 volume 0.10292E-02 ppm1 0.849 ppm2 3.517 CV 1 ASSI { 1687} (( segid "HID " and resid 682 and name HB )) (( segid "HID " and resid 682 and name HG12)) 3.100 1.200 1.200 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.13531E-02 ppm1 0.853 ppm2 1.845 CV 1 ASSI { 1688} (( segid "HID " and resid 682 and name HG11)) (( segid "HID " and resid 682 and name HG12)) 2.300 0.600 0.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.32933E-02 ppm1 0.854 ppm2 1.752 CV 1 ASSI { 1693} (( segid "HID " and resid 707 and name HD1 )) (( segid "HID " and resid 707 and name HA )) 2.500 0.800 0.800 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.35430E-02 ppm1 4.712 ppm2 -1.021 CV 1 ASSI { 1695} (( segid "HID " and resid 718 and name HE3 )) (( segid "HID " and resid 718 and name HA )) 3.600 1.600 1.600 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.66811E-03 ppm1 4.476 ppm2 -0.450 CV 1 ASSI { 1696} (( segid "HID " and resid 718 and name HD1 )) (( segid "HID " and resid 718 and name HB2 )) 3.800 1.800 1.800 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.29728E-03 ppm1 3.189 ppm2 -0.802 CV 1 ASSI { 1697} ( segid "HID " and resid 725 and name HD% ) (( segid "HID " and resid 725 and name HA )) 3.100 1.200 1.200 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.13835E-02 ppm1 4.464 ppm2 -1.010 CV 1 ASSI { 1698} ( segid "HID " and resid 726 and name HD% ) (( segid "HID " and resid 726 and name HA )) 3.100 1.200 1.200 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.15555E-02 ppm1 4.512 ppm2 -0.917 CV 1 ASSI { 1699} (( segid "HID " and resid 677 and name HD2 )) (( segid "HID " and resid 677 and name HA )) 3.300 1.400 1.400 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.20853E-02 ppm1 4.712 ppm2 1.633 CV 1 ASSI { 1700} (( segid "HID " and resid 653 and name HB2 )) (( segid "HID " and resid 653 and name HA )) 2.500 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.31819E-02 ppm1 4.569 ppm2 1.630 CV 1 ASSI { 1701} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 653 and name HA )) 2.600 0.800 0.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 4.566 ppm2 1.688 CV 1 OR { 1701} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 653 and name HA )) ASSI { 1703} (( segid "HID " and resid 653 and name HD2 )) (( segid "HID " and resid 653 and name HG2 )) 2.600 0.800 0.800 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.26556E-02 ppm1 1.656 ppm2 3.225 CV 1 OR { 1703} (( segid "HID " and resid 653 and name HD2 )) (( segid "HID " and resid 653 and name HG1 )) ASSI { 1706} ( segid "HID " and resid 636 and name HB% ) ( segid "HID " and resid 637 and name HD1%) 3.800 1.800 1.800 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.63437E-03 ppm1 0.923 ppm2 1.628 CV 1 ASSI { 1707} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HG1 )) 2.200 0.600 0.600 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.78285E-02 ppm1 2.358 ppm2 2.002 CV 1 ASSI { 1709} (( segid "HID " and resid 631 and name HG12)) (( segid "HID " and resid 631 and name HG11)) 2.300 0.700 0.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.22574E-02 ppm1 1.920 ppm2 0.658 CV 1 ASSI { 1714} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 668 and name HE1 )) 2.400 0.700 0.700 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.57363E-02 ppm1 2.875 ppm2 0.911 CV 1 OR { 1714} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 668 and name HE2 )) ASSI { 1715} (( segid "HID " and resid 653 and name HB1 )) (( segid "HID " and resid 653 and name HD1 )) 2.800 1.000 1.000 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.34418E-02 ppm1 3.328 ppm2 1.841 CV 1 ASSI { 1716} ( segid "SID " and resid 223 and name HD2%) (( segid "HID " and resid 692 and name HA )) 2.600 0.900 0.900 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.26691E-02 ppm1 4.056 ppm2 0.820 CV 1 ASSI { 1717} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 685 and name HB1 )) 2.700 0.900 0.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.29457E-02 ppm1 2.075 ppm2 0.819 CV 1 ASSI { 1718} (( segid "HID " and resid 708 and name HG2 )) (( segid "HID " and resid 708 and name HD1 )) 2.600 0.800 0.800 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.34755E-02 ppm1 3.293 ppm2 1.997 CV 1 OR { 1718} (( segid "HID " and resid 708 and name HG1 )) (( segid "HID " and resid 708 and name HD1 )) ASSI { 1719} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 708 and name HD1 )) 3.000 1.100 1.100 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.17681E-02 ppm1 3.297 ppm2 2.159 CV 1 ASSI { 1721} (( segid "HID " and resid 708 and name HB2 )) (( segid "HID " and resid 708 and name HD1 )) 2.700 0.900 0.900 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.30402E-02 ppm1 3.293 ppm2 1.908 CV 1 ASSI { 1722} (( segid "HID " and resid 708 and name HG1 )) (( segid "HID " and resid 708 and name HD2 )) 2.300 0.700 0.700 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.53989E-02 ppm1 3.202 ppm2 2.000 CV 1 OR { 1722} (( segid "HID " and resid 708 and name HG2 )) (( segid "HID " and resid 708 and name HD2 )) ASSI { 1723} (( segid "HID " and resid 708 and name HB1 )) (( segid "HID " and resid 708 and name HD2 )) 2.500 0.800 0.800 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.37455E-02 ppm1 3.205 ppm2 2.163 CV 1 ASSI { 1724} ( segid "SID " and resid 209 and name HD% ) ( segid "HID " and resid 623 and name HG2%) 3.200 1.300 1.300 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.96506E-03 ppm1 0.023 ppm2 -0.885 CV 1 ASSI { 1734} (( segid "HID " and resid 606 and name HB2 )) (( segid "HID " and resid 610 and name HG11)) 3.900 1.900 1.900 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.39479E-03 ppm1 1.270 ppm2 2.746 CV 1 ASSI { 1735} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 672 and name HD2 )) 3.800 1.800 1.800 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.44541E-03 ppm1 2.646 ppm2 2.069 CV 1 OR { 1735} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 672 and name HD1 )) OR { 1735} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 672 and name HD1 )) OR { 1735} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 672 and name HD2 )) ASSI { 1736} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 670 and name HG )) 4.100 2.100 1.900 peak 1736 spectrum 1 weight 0.10000E+01 volume 0.24261E-03 ppm1 2.098 ppm2 4.530 CV 1 ASSI { 1739} (( segid "HID " and resid 627 and name HA )) (( segid "HID " and resid 627 and name HB1 )) 4.000 2.000 2.000 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.40154E-03 ppm1 3.332 ppm2 4.431 CV 1 ASSI { 1740} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 627 and name HB1 )) 4.100 2.100 1.900 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.14779E-03 ppm1 3.329 ppm2 4.210 CV 1 ASSI { 1741} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 627 and name HB2 )) 4.200 2.200 1.800 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.31685E-03 ppm1 2.927 ppm2 4.197 CV 1 ASSI { 1743} (( segid "HID " and resid 680 and name HA )) (( segid "HID " and resid 680 and name HB1 )) 3.700 1.700 1.700 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.49940E-03 ppm1 2.707 ppm2 4.352 CV 1 ASSI { 1745} (( segid "HID " and resid 680 and name HB1 )) (( segid "HID " and resid 680 and name HB2 )) 2.200 0.600 0.600 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.49940E-02 ppm1 2.397 ppm2 2.709 CV 1 ASSI { 1746} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 699 and name HD1 )) 3.300 1.400 1.400 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.10561E-02 ppm1 3.121 ppm2 2.307 CV 1 OR { 1746} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 699 and name HD1 )) ASSI { 1747} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 699 and name HD2 )) 3.600 1.700 1.700 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.49940E-03 ppm1 2.806 ppm2 2.309 CV 1 OR { 1747} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 699 and name HD2 )) ASSI { 1749} (( segid "HID " and resid 689 and name HG2 )) (( segid "HID " and resid 689 and name HB1 )) 4.200 2.200 1.800 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.38467E-03 ppm1 2.886 ppm2 2.004 CV 1 ASSI { 1750} (( segid "HID " and resid 689 and name HG1 )) (( segid "HID " and resid 689 and name HB1 )) 3.800 1.800 1.800 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.19537E-03 ppm1 2.886 ppm2 2.132 CV 1 ASSI { 1752} (( segid "HID " and resid 694 and name HA )) (( segid "HID " and resid 694 and name HB2 )) 2.900 1.100 1.100 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.27129E-02 ppm1 1.881 ppm2 4.198 CV 1 ASSI { 1754} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 665 and name HA )) 3.000 1.100 1.100 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 3.732 ppm2 0.913 CV 1 ASSI { 1755} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 665 and name HA )) 2.700 0.900 0.900 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.24700E-02 ppm1 3.741 ppm2 1.977 CV 1 ASSI { 1756} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 665 and name HA )) 3.200 1.300 1.300 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.86048E-03 ppm1 3.739 ppm2 1.834 CV 1 ASSI { 1758} (( segid "HID " and resid 718 and name HD1 )) (( segid "HID " and resid 718 and name HB1 )) 4.600 2.700 1.400 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.20549E-03 ppm1 3.299 ppm2 -0.796 CV 1 ASSI { 1759} (( segid "HID " and resid 718 and name HE3 )) (( segid "HID " and resid 718 and name HB1 )) 3.600 1.600 1.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.42854E-03 ppm1 3.304 ppm2 -0.458 CV 1 ASSI { 1760} (( segid "HID " and resid 718 and name HE3 )) (( segid "HID " and resid 718 and name HB2 )) 4.400 2.500 1.600 peak 1760 spectrum 1 weight 0.10000E+01 volume 0.35093E-03 ppm1 3.183 ppm2 -0.459 CV 1 ASSI { 1761} (( segid "HID " and resid 662 and name HB2 )) ( segid "HID " and resid 633 and name HG1%) 3.600 3.600 2.400 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.67147E-03 ppm1 1.121 ppm2 3.795 CV 1 ASSI { 1763} (( segid "HID " and resid 631 and name HG12)) (( segid "HID " and resid 631 and name HA )) 3.200 1.300 1.300 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 3.398 ppm2 0.691 CV 1 ASSI { 1767} (( segid "HID " and resid 703 and name HB2 )) (( segid "HID " and resid 703 and name HA )) 2.900 1.100 1.100 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.15184E-02 ppm1 3.409 ppm2 1.211 CV 1 ASSI { 1768} (( segid "HID " and resid 700 and name HB1 )) (( segid "HID " and resid 700 and name HA )) 2.600 0.800 0.800 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.39479E-02 ppm1 3.976 ppm2 1.787 CV 1 ASSI { 1769} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 711 and name HA )) 2.300 0.700 0.700 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.76261E-02 ppm1 3.938 ppm2 2.250 CV 1 ASSI { 1778} (( segid "HID " and resid 666 and name HB2 )) ( segid "HID " and resid 658 and name HD2%) 4.000 2.000 2.000 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.37117E-03 ppm1 0.712 ppm2 3.005 CV 1 ASSI { 1780} ( segid "HID " and resid 681 and name HG2%) ( segid "HID " and resid 670 and name HD2%) 2.500 0.800 0.800 peak 1780 spectrum 1 weight 0.10000E+01 volume 0.42854E-02 ppm1 0.848 ppm2 0.523 CV 1 ASSI { 1782} ( segid "HID " and resid 641 and name HD2%) ( segid "HID " and resid 644 and name HD2%) 2.900 1.000 1.000 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.33743E-02 ppm1 0.673 ppm2 0.463 CV 1 ASSI { 1786} (( segid "HID " and resid 673 and name HG11)) ( segid "HID " and resid 673 and name HG2%) 3.000 1.100 1.100 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.44541E-02 ppm1 1.222 ppm2 1.450 CV 1 ASSI { 1789} (( segid "HID " and resid 651 and name HA )) ( segid "HID " and resid 650 and name HB% ) 3.300 1.400 1.400 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.11034E-02 ppm1 1.565 ppm2 4.385 CV 1 ASSI { 1790} (( segid "HID " and resid 625 and name HA )) (( segid "HID " and resid 625 and name HG1 )) 2.500 0.800 0.800 peak 1790 spectrum 1 weight 0.10000E+01 volume 0.43866E-02 ppm1 2.395 ppm2 4.156 CV 1 ASSI { 1791} (( segid "HID " and resid 663 and name HA )) (( segid "HID " and resid 663 and name HG2 )) 2.500 0.800 0.800 peak 1791 spectrum 1 weight 0.10000E+01 volume 0.53651E-02 ppm1 2.324 ppm2 4.174 CV 1 OR { 1791} (( segid "HID " and resid 663 and name HA )) (( segid "HID " and resid 663 and name HG1 )) ASSI { 1796} (( segid "HID " and resid 721 and name HG1 )) ( segid "HID " and resid 717 and name HG1%) 3.800 1.800 1.800 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.40491E-03 ppm1 0.990 ppm2 2.344 CV 1 ASSI { 1797} (( segid "HID " and resid 686 and name HD1 )) (( segid "HID " and resid 683 and name HA )) 3.500 1.500 1.500 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.65460E-03 ppm1 4.415 ppm2 3.160 CV 1 OR { 1797} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 683 and name HA )) ASSI { 1800} (( segid "HID " and resid 631 and name HA )) (( segid "HID " and resid 631 and name HG11)) 4.200 2.200 1.800 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.52302E-03 ppm1 1.913 ppm2 3.397 CV 1 ASSI { 1801} ( segid "HID " and resid 665 and name HG2%) (( segid "HID " and resid 665 and name HG11)) 3.300 1.300 1.300 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.28580E-02 ppm1 1.408 ppm2 0.745 CV 1 ASSI { 1802} ( segid "SID " and resid 211 and name HD2%) (( segid "HID " and resid 703 and name HG2 )) 3.300 1.400 1.400 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.11034E-02 ppm1 1.413 ppm2 0.727 CV 1 OR { 1802} ( segid "SID " and resid 211 and name HD2%) (( segid "HID " and resid 703 and name HG1 )) ASSI { 1803} (( segid "HID " and resid 711 and name HG1 )) ( segid "HID " and resid 620 and name HD2%) 6.000 4.500 0.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.20246E-10 ppm1 0.859 ppm2 2.415 CV 1 OR { 1803} (( segid "HID " and resid 711 and name HB1 )) ( segid "HID " and resid 620 and name HD2%) ASSI { 1} (( segid "HID " and resid 697 and name HN )) (( segid "HID " and resid 696 and name HN )) 2.700 0.900 0.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 8.159 ppm2 8.759 CV 1 ASSI { 5} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 721 and name HE22)) 5.500 3.800 0.500 peak 5 spectrum 1 weight 0.10000E+01 volume 0.13220E-03 ppm1 6.760 ppm2 0.862 CV 1 ASSI { 6} (( segid "HID " and resid 721 and name HE22)) (( segid "HID " and resid 721 and name HE21)) 1.800 0.400 0.400 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17316E-01 ppm1 7.398 ppm2 6.768 CV 1 ASSI { 8} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 715 and name HD22)) 4.600 2.700 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.37891E-03 ppm1 6.961 ppm2 2.257 CV 1 ASSI { 9} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 715 and name HD21)) 4.000 2.000 2.000 peak 9 spectrum 1 weight 0.10000E+01 volume 0.24205E-03 ppm1 7.595 ppm2 2.260 CV 1 ASSI { 10} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 715 and name HD22)) 3.600 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.16758E-02 ppm1 6.964 ppm2 2.872 CV 1 OR { 10} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 715 and name HD22)) ASSI { 11} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 715 and name HD21)) 2.600 0.900 0.900 peak 11 spectrum 1 weight 0.10000E+01 volume 0.26858E-02 ppm1 7.582 ppm2 2.870 CV 1 OR { 11} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 715 and name HD21)) ASSI { 12} (( segid "HID " and resid 715 and name HD22)) (( segid "HID " and resid 715 and name HD21)) 1.800 0.400 0.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.15082E-01 ppm1 7.583 ppm2 6.968 CV 1 ASSI { 14} (( segid "HID " and resid 721 and name HG1 )) (( segid "HID " and resid 721 and name HE21)) 3.400 1.400 1.400 peak 14 spectrum 1 weight 0.10000E+01 volume 0.67961E-03 ppm1 7.400 ppm2 2.350 CV 1 ASSI { 15} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HE21)) 5.100 3.300 0.900 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10008E-03 ppm1 7.403 ppm2 1.998 CV 1 ASSI { 16} (( segid "HID " and resid 721 and name HB1 )) (( segid "HID " and resid 721 and name HE22)) 4.700 2.700 1.300 peak 16 spectrum 1 weight 0.10000E+01 volume 0.36261E-03 ppm1 6.756 ppm2 2.038 CV 1 OR { 16} (( segid "HID " and resid 721 and name HB2 )) (( segid "HID " and resid 721 and name HE22)) ASSI { 17} (( segid "HID " and resid 721 and name HG1 )) (( segid "HID " and resid 721 and name HE22)) 4.700 2.700 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.37565E-03 ppm1 6.760 ppm2 2.347 CV 1 ASSI { 19} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 711 and name HE22)) 4.100 2.100 1.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.55859E-03 ppm1 6.822 ppm2 0.903 CV 1 ASSI { 21} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 711 and name HE21)) 3.400 1.400 1.400 peak 21 spectrum 1 weight 0.10000E+01 volume 0.65165E-03 ppm1 7.648 ppm2 2.268 CV 1 ASSI { 22} (( segid "HID " and resid 711 and name HG2 )) (( segid "HID " and resid 711 and name HE22)) 4.200 2.200 1.800 peak 22 spectrum 1 weight 0.10000E+01 volume 0.65631E-03 ppm1 6.820 ppm2 2.264 CV 1 ASSI { 23} (( segid "HID " and resid 711 and name HG1 )) (( segid "HID " and resid 711 and name HE22)) 4.200 2.200 1.800 peak 23 spectrum 1 weight 0.10000E+01 volume 0.67495E-03 ppm1 6.817 ppm2 2.427 CV 1 ASSI { 24} (( segid "HID " and resid 711 and name HG1 )) (( segid "HID " and resid 711 and name HE21)) 3.000 1.100 1.100 peak 24 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 7.649 ppm2 2.424 CV 1 ASSI { 25} (( segid "HID " and resid 656 and name HD21)) (( segid "HID " and resid 656 and name HD22)) 1.800 0.400 0.400 peak 25 spectrum 1 weight 0.10000E+01 volume 0.18480E-01 ppm1 6.875 ppm2 7.617 CV 1 ASSI { 28} (( segid "HID " and resid 711 and name HE21)) (( segid "HID " and resid 711 and name HE22)) 1.800 0.400 0.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.13918E-01 ppm1 6.821 ppm2 7.654 CV 1 ASSI { 29} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 688 and name HD22)) 3.600 1.600 1.600 peak 29 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 6.764 ppm2 0.833 CV 1 ASSI { 30} ( segid "HID " and resid 691 and name HD1%) (( segid "HID " and resid 688 and name HD21)) 3.100 1.200 1.200 peak 30 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 7.687 ppm2 0.844 CV 1 ASSI { 31} (( segid "HID " and resid 691 and name HG12)) (( segid "HID " and resid 688 and name HD21)) 5.100 3.300 0.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.20761E-03 ppm1 7.692 ppm2 1.320 CV 1 ASSI { 32} (( segid "HID " and resid 691 and name HG12)) (( segid "HID " and resid 688 and name HD22)) 5.100 3.200 0.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.36866E-03 ppm1 6.769 ppm2 1.325 CV 1 ASSI { 37} (( segid "HID " and resid 688 and name HB2 )) (( segid "HID " and resid 688 and name HD22)) 4.700 2.800 1.300 peak 37 spectrum 1 weight 0.10000E+01 volume 0.36448E-03 ppm1 6.763 ppm2 2.538 CV 1 ASSI { 38} (( segid "HID " and resid 688 and name HB2 )) (( segid "HID " and resid 688 and name HD21)) 3.100 1.200 1.200 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 7.691 ppm2 2.531 CV 1 ASSI { 39} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 688 and name HD21)) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.17549E-02 ppm1 7.686 ppm2 3.024 CV 1 ASSI { 40} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 688 and name HD22)) 4.000 2.000 2.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.85186E-03 ppm1 6.764 ppm2 3.031 CV 1 ASSI { 41} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 688 and name HD21)) 3.400 1.400 1.400 peak 41 spectrum 1 weight 0.10000E+01 volume 0.97751E-03 ppm1 7.691 ppm2 5.347 CV 1 ASSI { 42} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 688 and name HD22)) 4.800 2.800 1.200 peak 42 spectrum 1 weight 0.10000E+01 volume 0.21179E-03 ppm1 6.761 ppm2 5.347 CV 1 ASSI { 44} (( segid "HID " and resid 688 and name HD21)) (( segid "HID " and resid 688 and name HD22)) 1.800 0.400 0.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.15501E-01 ppm1 6.763 ppm2 7.697 CV 1 ASSI { 45} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 671 and name HE21)) 4.600 2.700 1.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.16711E-03 ppm1 7.479 ppm2 1.430 CV 1 ASSI { 47} (( segid "HID " and resid 667 and name HD1 )) (( segid "HID " and resid 671 and name HE22)) 4.300 2.300 1.700 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26161E-03 ppm1 6.782 ppm2 3.186 CV 1 OR { 47} (( segid "HID " and resid 667 and name HD2 )) (( segid "HID " and resid 671 and name HE22)) ASSI { 48} (( segid "HID " and resid 667 and name HG1 )) (( segid "HID " and resid 671 and name HE22)) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.50272E-03 ppm1 6.774 ppm2 1.615 CV 1 ASSI { 49} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 671 and name HE21)) 2.900 1.000 1.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 7.481 ppm2 2.425 CV 1 OR { 49} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 671 and name HE21)) ASSI { 51} (( segid "HID " and resid 671 and name HE22)) (( segid "HID " and resid 671 and name HE21)) 1.900 0.400 0.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.12010E-01 ppm1 7.480 ppm2 6.775 CV 1 ASSI { 54} (( segid "HID " and resid 656 and name HB1 )) (( segid "HID " and resid 656 and name HD22)) 4.600 2.600 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.47480E-03 ppm1 6.875 ppm2 2.821 CV 1 OR { 54} (( segid "HID " and resid 656 and name HB2 )) (( segid "HID " and resid 656 and name HD22)) ASSI { 56} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 649 and name HE21)) 4.400 2.400 1.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.17223E-03 ppm1 7.121 ppm2 1.581 CV 1 ASSI { 58} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HE21)) 3.300 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.12242E-02 ppm1 7.116 ppm2 2.195 CV 1 OR { 58} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 649 and name HE21)) ASSI { 59} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 649 and name HE21)) 3.200 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.68427E-03 ppm1 7.119 ppm2 2.641 CV 1 ASSI { 60} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 649 and name HE22)) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 6.716 ppm2 2.650 CV 1 ASSI { 63} (( segid "HID " and resid 649 and name HE22)) (( segid "HID " and resid 649 and name HE21)) 1.800 0.400 0.400 peak 63 spectrum 1 weight 0.10000E+01 volume 0.14523E-01 ppm1 7.116 ppm2 6.719 CV 1 ASSI { 66} ( segid "HID " and resid 697 and name HD1%) (( segid "HID " and resid 638 and name HE22)) 3.400 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.40357E-03 ppm1 6.563 ppm2 0.893 CV 1 OR { 66} ( segid "HID " and resid 697 and name HD2%) (( segid "HID " and resid 638 and name HE22)) ASSI { 67} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 638 and name HE22)) 5.100 3.200 0.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.20854E-03 ppm1 6.564 ppm2 1.987 CV 1 ASSI { 68} (( segid "HID " and resid 638 and name HG2 )) (( segid "HID " and resid 638 and name HE22)) 4.100 2.100 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.74014E-03 ppm1 6.560 ppm2 2.236 CV 1 OR { 68} (( segid "HID " and resid 638 and name HG1 )) (( segid "HID " and resid 638 and name HE22)) ASSI { 69} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HE21)) 3.900 1.900 1.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.47014E-03 ppm1 7.199 ppm2 3.929 CV 1 ASSI { 70} (( segid "HID " and resid 638 and name HA )) (( segid "HID " and resid 638 and name HE22)) 4.400 2.400 1.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.33422E-03 ppm1 6.555 ppm2 3.971 CV 1 ASSI { 71} (( segid "HID " and resid 638 and name HE22)) (( segid "HID " and resid 638 and name HE21)) 1.700 0.400 0.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24252E-01 ppm1 7.198 ppm2 6.567 CV 1 ASSI { 74} (( segid "HID " and resid 627 and name HD21)) (( segid "HID " and resid 627 and name HD22)) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.15222E-02 ppm1 6.500 ppm2 8.229 CV 1 ASSI { 75} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 722 and name HD22)) 5.000 3.200 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.23274E-03 ppm1 6.627 ppm2 2.667 CV 1 ASSI { 76} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 722 and name HD21)) 3.800 1.800 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.31513E-03 ppm1 7.294 ppm2 2.670 CV 1 ASSI { 77} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 722 and name HD22)) 4.700 2.800 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.33469E-03 ppm1 6.627 ppm2 2.476 CV 1 ASSI { 78} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 722 and name HD21)) 3.600 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.47480E-03 ppm1 7.294 ppm2 2.469 CV 1 ASSI { 79} (( segid "HID " and resid 722 and name HD22)) (( segid "HID " and resid 722 and name HD21)) 1.900 0.500 0.500 peak 79 spectrum 1 weight 0.10000E+01 volume 0.11870E-01 ppm1 7.293 ppm2 6.633 CV 1 ASSI { 81} (( segid "HID " and resid 628 and name HB2 )) (( segid "HID " and resid 629 and name HN )) 2.900 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.051 ppm2 1.874 CV 1 OR { 81} (( segid "HID " and resid 628 and name HB1 )) (( segid "HID " and resid 629 and name HN )) ASSI { 82} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 626 and name HN )) 4.000 2.000 2.000 peak 82 spectrum 1 weight 0.10000E+01 volume 0.34912E-03 ppm1 8.395 ppm2 3.719 CV 1 ASSI { 84} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 729 and name HN )) 4.600 2.700 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.19458E-03 ppm1 7.909 ppm2 1.438 CV 1 OR { 84} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 729 and name HN )) ASSI { 85} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 729 and name HN )) 4.000 2.000 2.000 peak 85 spectrum 1 weight 0.10000E+01 volume 0.39008E-03 ppm1 7.905 ppm2 1.865 CV 1 ASSI { 86} (( segid "HID " and resid 729 and name HB2 )) (( segid "HID " and resid 729 and name HN )) 3.400 1.400 1.400 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 7.906 ppm2 3.830 CV 1 OR { 86} (( segid "HID " and resid 729 and name HB1 )) (( segid "HID " and resid 729 and name HN )) ASSI { 87} (( segid "HID " and resid 728 and name HA )) (( segid "HID " and resid 729 and name HN )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.32957E-02 ppm1 7.905 ppm2 4.333 CV 1 ASSI { 90} (( segid "HID " and resid 727 and name HA )) (( segid "HID " and resid 727 and name HN )) 2.600 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.33888E-02 ppm1 7.844 ppm2 4.292 CV 1 ASSI { 91} (( segid "HID " and resid 726 and name HA )) (( segid "HID " and resid 727 and name HN )) 2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.50738E-02 ppm1 7.845 ppm2 4.495 CV 1 ASSI { 92} (( segid "HID " and resid 726 and name HB2 )) (( segid "HID " and resid 727 and name HN )) 3.900 1.900 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.82390E-03 ppm1 7.845 ppm2 2.910 CV 1 ASSI { 93} (( segid "HID " and resid 726 and name HB1 )) (( segid "HID " and resid 727 and name HN )) 3.600 1.600 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.90773E-03 ppm1 7.845 ppm2 3.007 CV 1 ASSI { 94} (( segid "HID " and resid 727 and name HG )) (( segid "HID " and resid 727 and name HN )) 2.700 0.900 0.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.27091E-02 ppm1 7.842 ppm2 1.479 CV 1 ASSI { 95} ( segid "HID " and resid 727 and name HD2%) (( segid "HID " and resid 727 and name HN )) 4.100 2.100 1.900 peak 95 spectrum 1 weight 0.10000E+01 volume 0.64705E-03 ppm1 7.844 ppm2 0.862 CV 1 OR { 95} ( segid "HID " and resid 727 and name HD1%) (( segid "HID " and resid 727 and name HN )) ASSI { 96} (( segid "HID " and resid 727 and name HB2 )) (( segid "HID " and resid 727 and name HN )) 2.500 0.800 0.800 peak 96 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 7.845 ppm2 1.560 CV 1 OR { 96} (( segid "HID " and resid 727 and name HB1 )) (( segid "HID " and resid 727 and name HN )) ASSI { 101} (( segid "HID " and resid 723 and name HB1 )) (( segid "HID " and resid 723 and name HN )) 2.300 0.600 0.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.97285E-02 ppm1 8.229 ppm2 1.988 CV 1 OR { 101} (( segid "HID " and resid 723 and name HB2 )) (( segid "HID " and resid 723 and name HN )) ASSI { 102} (( segid "HID " and resid 723 and name HG1 )) (( segid "HID " and resid 723 and name HN )) 2.600 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.42685E-02 ppm1 8.229 ppm2 2.252 CV 1 OR { 102} (( segid "HID " and resid 723 and name HG2 )) (( segid "HID " and resid 723 and name HN )) ASSI { 103} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 723 and name HN )) 3.900 1.900 1.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.85186E-03 ppm1 8.231 ppm2 2.476 CV 1 ASSI { 104} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 723 and name HN )) 3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.10380E-02 ppm1 8.235 ppm2 2.669 CV 1 ASSI { 105} (( segid "HID " and resid 723 and name HA )) (( segid "HID " and resid 723 and name HN )) 2.300 0.600 0.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.92165E-02 ppm1 8.229 ppm2 4.129 CV 1 ASSI { 106} (( segid "HID " and resid 722 and name HA )) (( segid "HID " and resid 723 and name HN )) 3.100 1.200 1.200 peak 106 spectrum 1 weight 0.10000E+01 volume 0.21366E-02 ppm1 8.229 ppm2 4.603 CV 1 ASSI { 107} (( segid "HID " and resid 723 and name HN )) (( segid "HID " and resid 722 and name HN )) 3.000 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 8.113 ppm2 8.230 CV 1 ASSI { 108} (( segid "HID " and resid 722 and name HA )) (( segid "HID " and resid 722 and name HN )) 3.500 1.500 1.500 peak 108 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 8.106 ppm2 4.605 CV 1 ASSI { 110} (( segid "HID " and resid 721 and name HA )) (( segid "HID " and resid 722 and name HN )) 3.400 1.400 1.400 peak 110 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 8.110 ppm2 4.189 CV 1 ASSI { 111} (( segid "HID " and resid 722 and name HB1 )) (( segid "HID " and resid 722 and name HN )) 3.300 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.11125E-02 ppm1 8.108 ppm2 2.667 CV 1 ASSI { 112} (( segid "HID " and resid 722 and name HB2 )) (( segid "HID " and resid 722 and name HN )) 2.900 1.100 1.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 8.107 ppm2 2.470 CV 1 ASSI { 116} (( segid "HID " and resid 718 and name HA )) (( segid "HID " and resid 721 and name HN )) 4.200 2.200 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.24997E-03 ppm1 8.167 ppm2 4.476 CV 1 ASSI { 118} (( segid "HID " and resid 721 and name HA )) (( segid "HID " and resid 721 and name HN )) 2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.35191E-02 ppm1 8.168 ppm2 4.192 CV 1 ASSI { 120} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 719 and name HN )) 4.100 2.100 1.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.80066E-03 ppm1 8.057 ppm2 1.531 CV 1 ASSI { 121} (( segid "HID " and resid 719 and name HA )) (( segid "HID " and resid 719 and name HN )) 2.900 1.000 1.000 peak 121 spectrum 1 weight 0.10000E+01 volume 0.22437E-02 ppm1 8.057 ppm2 4.069 CV 1 ASSI { 122} (( segid "HID " and resid 718 and name HA )) (( segid "HID " and resid 719 and name HN )) 2.900 1.100 1.100 peak 122 spectrum 1 weight 0.10000E+01 volume 0.26021E-02 ppm1 8.059 ppm2 4.473 CV 1 ASSI { 123} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 716 and name HN )) 3.100 1.200 1.200 peak 123 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 7.947 ppm2 2.870 CV 1 OR { 123} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 716 and name HN )) ASSI { 127} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 715 and name HN )) 3.600 1.600 1.600 peak 127 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 8.296 ppm2 1.888 CV 1 OR { 127} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 715 and name HN )) ASSI { 128} (( segid "HID " and resid 715 and name HB2 )) (( segid "HID " and resid 715 and name HN )) 2.300 0.700 0.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.59585E-02 ppm1 8.289 ppm2 2.869 CV 1 OR { 128} (( segid "HID " and resid 715 and name HB1 )) (( segid "HID " and resid 715 and name HN )) ASSI { 129} (( segid "HID " and resid 714 and name HB1 )) (( segid "HID " and resid 715 and name HN )) 2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.28906E-02 ppm1 8.288 ppm2 3.076 CV 1 OR { 129} (( segid "HID " and resid 714 and name HB2 )) (( segid "HID " and resid 715 and name HN )) ASSI { 130} (( segid "HID " and resid 711 and name HA )) (( segid "HID " and resid 715 and name HN )) 2.600 0.800 0.800 peak 130 spectrum 1 weight 0.10000E+01 volume 0.41102E-02 ppm1 8.296 ppm2 3.931 CV 1 ASSI { 132} (( segid "HID " and resid 714 and name HA )) (( segid "HID " and resid 715 and name HN )) 3.100 1.200 1.200 peak 132 spectrum 1 weight 0.10000E+01 volume 0.21133E-02 ppm1 8.290 ppm2 4.530 CV 1 ASSI { 133} (( segid "HID " and resid 715 and name HA )) (( segid "HID " and resid 715 and name HN )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.17735E-02 ppm1 8.290 ppm2 4.633 CV 1 ASSI { 134} (( segid "HID " and resid 714 and name HB1 )) (( segid "HID " and resid 714 and name HN )) 2.500 0.800 0.800 peak 134 spectrum 1 weight 0.10000E+01 volume 0.43197E-02 ppm1 7.985 ppm2 3.078 CV 1 OR { 134} (( segid "HID " and resid 714 and name HB2 )) (( segid "HID " and resid 714 and name HN )) ASSI { 135} (( segid "HID " and resid 713 and name HA2 )) (( segid "HID " and resid 714 and name HN )) 3.600 1.600 1.600 peak 135 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 7.985 ppm2 3.869 CV 1 ASSI { 137} (( segid "HID " and resid 714 and name HA )) (( segid "HID " and resid 714 and name HN )) 3.000 1.100 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 7.983 ppm2 4.526 CV 1 ASSI { 138} (( segid "HID " and resid 712 and name HB1 )) (( segid "HID " and resid 713 and name HN )) 3.400 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.74480E-03 ppm1 7.928 ppm2 1.992 CV 1 ASSI { 141} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 712 and name HN )) 4.000 2.000 2.000 peak 141 spectrum 1 weight 0.10000E+01 volume 0.94495E-03 ppm1 7.930 ppm2 2.091 CV 1 ASSI { 142} (( segid "HID " and resid 712 and name HB2 )) (( segid "HID " and resid 712 and name HN )) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.58651E-02 ppm1 7.935 ppm2 1.890 CV 1 ASSI { 143} (( segid "HID " and resid 712 and name HB1 )) (( segid "HID " and resid 712 and name HN )) 2.700 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.29372E-02 ppm1 7.936 ppm2 1.983 CV 1 ASSI { 144} (( segid "HID " and resid 711 and name HB1 )) (( segid "HID " and resid 712 and name HN )) 2.900 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 7.935 ppm2 2.381 CV 1 ASSI { 147} (( segid "HID " and resid 641 and name HA )) (( segid "HID " and resid 641 and name HN )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 8.382 ppm2 3.573 CV 1 ASSI { 150} ( segid "HID " and resid 710 and name HB% ) (( segid "HID " and resid 710 and name HN )) 2.500 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.45990E-02 ppm1 7.960 ppm2 1.572 CV 1 ASSI { 151} (( segid "HID " and resid 709 and name HB1 )) (( segid "HID " and resid 710 and name HN )) 2.700 0.900 0.900 peak 151 spectrum 1 weight 0.10000E+01 volume 0.30955E-02 ppm1 7.959 ppm2 2.175 CV 1 OR { 151} (( segid "HID " and resid 709 and name HB2 )) (( segid "HID " and resid 710 and name HN )) ASSI { 155} (( segid "HID " and resid 708 and name HB2 )) (( segid "HID " and resid 709 and name HN )) 2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.47480E-02 ppm1 7.796 ppm2 1.904 CV 1 ASSI { 156} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 709 and name HN )) 2.500 0.800 0.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.50738E-02 ppm1 7.791 ppm2 2.346 CV 1 OR { 156} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 709 and name HN )) ASSI { 161} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 708 and name HN )) 4.600 2.600 1.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.29745E-03 ppm1 8.967 ppm2 0.899 CV 1 ASSI { 162} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 708 and name HN )) 3.400 1.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.87510E-03 ppm1 8.978 ppm2 1.291 CV 1 ASSI { 163} (( segid "HID " and resid 709 and name HG2 )) (( segid "HID " and resid 708 and name HN )) 4.200 2.200 1.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.44593E-03 ppm1 8.979 ppm2 2.366 CV 1 OR { 163} (( segid "HID " and resid 709 and name HG1 )) (( segid "HID " and resid 708 and name HN )) ASSI { 164} (( segid "HID " and resid 708 and name HG2 )) (( segid "HID " and resid 708 and name HN )) 3.000 1.100 1.100 peak 164 spectrum 1 weight 0.10000E+01 volume 0.44966E-02 ppm1 8.969 ppm2 1.961 CV 1 OR { 164} (( segid "HID " and resid 708 and name HG1 )) (( segid "HID " and resid 708 and name HN )) ASSI { 165} (( segid "HID " and resid 708 and name HB2 )) (( segid "HID " and resid 708 and name HN )) 2.400 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.36541E-02 ppm1 8.972 ppm2 1.861 CV 1 ASSI { 167} (( segid "HID " and resid 707 and name HB2 )) (( segid "HID " and resid 708 and name HN )) 3.400 1.400 1.400 peak 167 spectrum 1 weight 0.10000E+01 volume 0.59585E-03 ppm1 8.968 ppm2 3.088 CV 1 ASSI { 168} (( segid "HID " and resid 707 and name HB1 )) (( segid "HID " and resid 708 and name HN )) 3.600 1.600 1.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.86578E-03 ppm1 8.977 ppm2 3.509 CV 1 ASSI { 170} (( segid "HID " and resid 708 and name HA )) (( segid "HID " and resid 708 and name HN )) 2.900 1.000 1.000 peak 170 spectrum 1 weight 0.10000E+01 volume 0.20761E-02 ppm1 8.971 ppm2 4.131 CV 1 ASSI { 171} (( segid "HID " and resid 707 and name HA )) (( segid "HID " and resid 708 and name HN )) 3.500 1.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.70752E-03 ppm1 8.971 ppm2 4.701 CV 1 ASSI { 172} (( segid "HID " and resid 707 and name HA )) (( segid "HID " and resid 707 and name HN )) 3.400 1.400 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 9.232 ppm2 4.693 CV 1 ASSI { 173} (( segid "HID " and resid 706 and name HB1 )) (( segid "HID " and resid 707 and name HN )) 2.900 1.000 1.000 peak 173 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 9.230 ppm2 1.983 CV 1 ASSI { 177} (( segid "HID " and resid 705 and name HB1 )) (( segid "HID " and resid 706 and name HN )) 2.200 0.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.10380E-01 ppm1 7.626 ppm2 2.080 CV 1 OR { 177} (( segid "HID " and resid 705 and name HB2 )) (( segid "HID " and resid 706 and name HN )) ASSI { 178} (( segid "HID " and resid 705 and name HG2 )) (( segid "HID " and resid 706 and name HN )) 3.900 1.900 1.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 7.626 ppm2 2.290 CV 1 ASSI { 181} (( segid "HID " and resid 618 and name HB2 )) (( segid "HID " and resid 618 and name HN )) 2.700 0.900 0.900 peak 181 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 7.996 ppm2 3.024 CV 1 ASSI { 182} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 618 and name HN )) 3.000 1.100 1.100 peak 182 spectrum 1 weight 0.10000E+01 volume 0.21692E-02 ppm1 7.995 ppm2 3.185 CV 1 ASSI { 183} (( segid "HID " and resid 616 and name HB2 )) (( segid "HID " and resid 617 and name HN )) 3.600 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.22809E-02 ppm1 8.003 ppm2 1.938 CV 1 ASSI { 185} (( segid "HID " and resid 705 and name HG1 )) (( segid "HID " and resid 705 and name HN )) 3.400 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.93563E-03 ppm1 7.314 ppm2 2.407 CV 1 ASSI { 188} (( segid "HID " and resid 615 and name HB1 )) (( segid "HID " and resid 616 and name HN )) 3.300 1.300 1.300 peak 188 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 8.378 ppm2 2.740 CV 1 ASSI { 189} (( segid "HID " and resid 615 and name HB2 )) (( segid "HID " and resid 616 and name HN )) 3.100 1.200 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.26905E-02 ppm1 8.377 ppm2 2.643 CV 1 ASSI { 191} (( segid "HID " and resid 704 and name HB2 )) (( segid "HID " and resid 705 and name HN )) 3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.11498E-02 ppm1 7.310 ppm2 1.884 CV 1 OR { 191} (( segid "HID " and resid 704 and name HB1 )) (( segid "HID " and resid 705 and name HN )) ASSI { 192} (( segid "HID " and resid 625 and name HB2 )) (( segid "HID " and resid 625 and name HN )) 2.300 0.700 0.700 peak 192 spectrum 1 weight 0.10000E+01 volume 0.64705E-02 ppm1 8.156 ppm2 2.210 CV 1 OR { 192} (( segid "HID " and resid 625 and name HB1 )) (( segid "HID " and resid 625 and name HN )) ASSI { 193} (( segid "HID " and resid 625 and name HB2 )) (( segid "HID " and resid 625 and name HN )) 2.400 0.700 0.700 peak 193 spectrum 1 weight 0.10000E+01 volume 0.57255E-02 ppm1 8.156 ppm2 2.157 CV 1 ASSI { 194} (( segid "HID " and resid 625 and name HG2 )) (( segid "HID " and resid 625 and name HN )) 3.400 1.400 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.31141E-02 ppm1 8.152 ppm2 2.345 CV 1 ASSI { 195} (( segid "HID " and resid 620 and name HB1 )) (( segid "HID " and resid 620 and name HN )) 2.700 0.900 0.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.56789E-02 ppm1 7.812 ppm2 1.684 CV 1 ASSI { 197} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 705 and name HN )) 3.600 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.53996E-03 ppm1 7.321 ppm2 4.133 CV 1 ASSI { 198} (( segid "HID " and resid 706 and name HB2 )) (( segid "HID " and resid 706 and name HN )) 2.300 0.700 0.700 peak 198 spectrum 1 weight 0.10000E+01 volume 0.76338E-02 ppm1 7.625 ppm2 1.922 CV 1 ASSI { 200} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 704 and name HN )) 3.800 1.800 1.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.80992E-03 ppm1 7.757 ppm2 0.726 CV 1 ASSI { 201} (( segid "HID " and resid 704 and name HA )) (( segid "HID " and resid 704 and name HN )) 2.900 1.000 1.000 peak 201 spectrum 1 weight 0.10000E+01 volume 0.17875E-02 ppm1 7.759 ppm2 3.809 CV 1 ASSI { 203} (( segid "HID " and resid 702 and name HG1 )) (( segid "HID " and resid 702 and name HN )) 4.600 2.700 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.45385E-03 ppm1 7.880 ppm2 2.710 CV 1 ASSI { 204} (( segid "HID " and resid 625 and name HG1 )) (( segid "HID " and resid 625 and name HN )) 3.600 1.600 1.600 peak 204 spectrum 1 weight 0.10000E+01 volume 0.23507E-02 ppm1 8.154 ppm2 2.379 CV 1 OR { 204} (( segid "HID " and resid 625 and name HG2 )) (( segid "HID " and resid 625 and name HN )) ASSI { 206} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 702 and name HN )) 3.100 1.200 1.200 peak 206 spectrum 1 weight 0.10000E+01 volume 0.14570E-02 ppm1 7.882 ppm2 4.140 CV 1 ASSI { 207} ( segid "HID " and resid 673 and name HD1%) (( segid "HID " and resid 700 and name HN )) 3.600 1.600 1.600 peak 207 spectrum 1 weight 0.10000E+01 volume 0.81458E-03 ppm1 8.513 ppm2 0.664 CV 1 ASSI { 213} (( segid "HID " and resid 701 and name HD1 )) (( segid "HID " and resid 700 and name HN )) 3.700 1.700 1.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.47945E-03 ppm1 8.515 ppm2 1.547 CV 1 OR { 213} (( segid "HID " and resid 701 and name HD2 )) (( segid "HID " and resid 700 and name HN )) ASSI { 215} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 700 and name HN )) 3.200 1.300 1.300 peak 215 spectrum 1 weight 0.10000E+01 volume 0.99149E-03 ppm1 8.515 ppm2 2.291 CV 1 OR { 215} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 700 and name HN )) ASSI { 217} (( segid "HID " and resid 676 and name HB1 )) (( segid "HID " and resid 677 and name HN )) 3.300 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 7.913 ppm2 2.853 CV 1 OR { 217} (( segid "HID " and resid 676 and name HB2 )) (( segid "HID " and resid 677 and name HN )) ASSI { 218} (( segid "HID " and resid 677 and name HB2 )) (( segid "HID " and resid 677 and name HN )) 2.600 0.800 0.800 peak 218 spectrum 1 weight 0.10000E+01 volume 0.41940E-02 ppm1 7.911 ppm2 2.108 CV 1 OR { 218} (( segid "HID " and resid 677 and name HB1 )) (( segid "HID " and resid 677 and name HN )) ASSI { 222} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 699 and name HN )) 2.600 0.900 0.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.32025E-02 ppm1 7.474 ppm2 1.963 CV 1 OR { 222} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 699 and name HN )) ASSI { 226} (( segid "HID " and resid 698 and name HB2 )) (( segid "HID " and resid 698 and name HN )) 2.300 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.81458E-02 ppm1 7.368 ppm2 1.953 CV 1 OR { 226} (( segid "HID " and resid 698 and name HB1 )) (( segid "HID " and resid 698 and name HN )) ASSI { 231} (( segid "HID " and resid 718 and name HD1 )) (( segid "HID " and resid 718 and name HN )) 4.200 2.200 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 8.200 ppm2 7.203 CV 1 ASSI { 233} (( segid "HID " and resid 674 and name HB2 )) (( segid "HID " and resid 678 and name HN )) 3.700 1.700 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 8.210 ppm2 2.537 CV 1 ASSI { 234} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 678 and name HN )) 3.900 1.900 1.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 8.209 ppm2 2.419 CV 1 OR { 234} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 678 and name HN )) ASSI { 238} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 697 and name HN )) 3.400 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.752 ppm2 1.011 CV 1 OR { 238} ( segid "HID " and resid 696 and name HG1%) (( segid "HID " and resid 697 and name HN )) ASSI { 239} (( segid "HID " and resid 697 and name HB2 )) (( segid "HID " and resid 697 and name HN )) 2.300 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.67495E-02 ppm1 8.753 ppm2 1.654 CV 1 OR { 239} (( segid "HID " and resid 697 and name HB1 )) (( segid "HID " and resid 697 and name HN )) ASSI { 240} (( segid "HID " and resid 696 and name HB )) (( segid "HID " and resid 697 and name HN )) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.25043E-02 ppm1 8.753 ppm2 1.962 CV 1 ASSI { 241} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 702 and name HN )) 2.700 0.900 0.900 peak 241 spectrum 1 weight 0.10000E+01 volume 0.28860E-02 ppm1 7.887 ppm2 1.850 CV 1 OR { 241} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 702 and name HN )) ASSI { 244} (( segid "HID " and resid 697 and name HA )) (( segid "HID " and resid 697 and name HN )) 3.000 1.100 1.100 peak 244 spectrum 1 weight 0.10000E+01 volume 0.16385E-02 ppm1 8.755 ppm2 3.907 CV 1 ASSI { 247} ( segid "HID " and resid 726 and name HD% ) (( segid "HID " and resid 726 and name HN )) 3.500 1.600 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.80992E-03 ppm1 7.750 ppm2 7.080 CV 1 ASSI { 248} (( segid "HID " and resid 719 and name HG2 )) (( segid "HID " and resid 720 and name HN )) 2.900 1.100 1.100 peak 248 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 8.120 ppm2 1.534 CV 1 ASSI { 250} (( segid "HID " and resid 638 and name HG2 )) (( segid "HID " and resid 638 and name HE21)) 3.100 1.200 1.200 peak 250 spectrum 1 weight 0.10000E+01 volume 0.13173E-02 ppm1 7.199 ppm2 2.234 CV 1 OR { 250} (( segid "HID " and resid 638 and name HG1 )) (( segid "HID " and resid 638 and name HE21)) ASSI { 251} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 638 and name HE21)) 4.300 2.300 1.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.25742E-03 ppm1 7.202 ppm2 1.988 CV 1 ASSI { 252} (( segid "HID " and resid 607 and name HA )) (( segid "HID " and resid 608 and name HN )) 2.800 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.36541E-02 ppm1 8.241 ppm2 4.266 CV 1 ASSI { 253} (( segid "HID " and resid 608 and name HA )) (( segid "HID " and resid 608 and name HN )) 2.800 1.000 1.000 peak 253 spectrum 1 weight 0.10000E+01 volume 0.29885E-02 ppm1 8.241 ppm2 4.178 CV 1 ASSI { 254} ( segid "HID " and resid 607 and name HB% ) (( segid "HID " and resid 608 and name HN )) 3.400 1.400 1.400 peak 254 spectrum 1 weight 0.10000E+01 volume 0.10799E-02 ppm1 8.240 ppm2 1.350 CV 1 ASSI { 255} (( segid "HID " and resid 608 and name HB2 )) (( segid "HID " and resid 608 and name HN )) 2.500 0.800 0.800 peak 255 spectrum 1 weight 0.10000E+01 volume 0.49807E-02 ppm1 8.240 ppm2 1.896 CV 1 ASSI { 256} (( segid "HID " and resid 608 and name HG1 )) (( segid "HID " and resid 608 and name HN )) 3.600 1.600 1.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.89375E-03 ppm1 8.241 ppm2 2.188 CV 1 OR { 256} (( segid "HID " and resid 608 and name HG2 )) (( segid "HID " and resid 608 and name HN )) ASSI { 257} (( segid "HID " and resid 609 and name HB1 )) (( segid "HID " and resid 609 and name HN )) 3.700 1.700 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.56789E-03 ppm1 8.239 ppm2 3.038 CV 1 OR { 257} (( segid "HID " and resid 609 and name HB2 )) (( segid "HID " and resid 609 and name HN )) ASSI { 258} (( segid "HID " and resid 609 and name HA )) (( segid "HID " and resid 610 and name HN )) 2.600 0.800 0.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.39101E-02 ppm1 7.858 ppm2 4.583 CV 1 ASSI { 259} (( segid "HID " and resid 610 and name HA )) (( segid "HID " and resid 610 and name HN )) 3.200 1.200 1.200 peak 259 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.857 ppm2 4.070 CV 1 ASSI { 260} (( segid "HID " and resid 609 and name HB2 )) (( segid "HID " and resid 610 and name HN )) 3.700 1.700 1.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 7.855 ppm2 3.046 CV 1 OR { 260} (( segid "HID " and resid 609 and name HB1 )) (( segid "HID " and resid 610 and name HN )) ASSI { 261} (( segid "HID " and resid 610 and name HB )) (( segid "HID " and resid 610 and name HN )) 2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.25462E-02 ppm1 7.858 ppm2 1.706 CV 1 ASSI { 262} (( segid "HID " and resid 610 and name HG11)) (( segid "HID " and resid 610 and name HN )) 3.200 1.300 1.300 peak 262 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 7.858 ppm2 1.267 CV 1 ASSI { 263} (( segid "HID " and resid 610 and name HG12)) (( segid "HID " and resid 610 and name HN )) 3.100 1.200 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.14989E-02 ppm1 7.856 ppm2 1.029 CV 1 ASSI { 264} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 610 and name HN )) 3.600 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.13266E-02 ppm1 7.857 ppm2 0.751 CV 1 OR { 264} ( segid "HID " and resid 610 and name HD1%) (( segid "HID " and resid 610 and name HN )) ASSI { 266} (( segid "HID " and resid 611 and name HA )) (( segid "HID " and resid 611 and name HN )) 2.700 0.900 0.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.34446E-02 ppm1 8.197 ppm2 4.561 CV 1 ASSI { 267} (( segid "HID " and resid 610 and name HA )) (( segid "HID " and resid 611 and name HN )) 2.100 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.11916E-01 ppm1 8.197 ppm2 4.066 CV 1 ASSI { 268} (( segid "HID " and resid 611 and name HB1 )) (( segid "HID " and resid 611 and name HN )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.61443E-02 ppm1 8.197 ppm2 2.983 CV 1 ASSI { 271} ( segid "HID " and resid 610 and name HG2%) (( segid "HID " and resid 611 and name HN )) 3.000 1.100 1.100 peak 271 spectrum 1 weight 0.10000E+01 volume 0.25322E-02 ppm1 8.196 ppm2 0.747 CV 1 ASSI { 274} (( segid "HID " and resid 612 and name HA )) (( segid "HID " and resid 612 and name HN )) 3.100 1.200 1.200 peak 274 spectrum 1 weight 0.10000E+01 volume 0.16106E-02 ppm1 8.190 ppm2 4.319 CV 1 ASSI { 275} (( segid "HID " and resid 611 and name HA )) (( segid "HID " and resid 612 and name HN )) 2.300 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.71684E-02 ppm1 8.186 ppm2 4.561 CV 1 ASSI { 276} (( segid "HID " and resid 611 and name HB2 )) (( segid "HID " and resid 612 and name HN )) 4.300 2.300 1.700 peak 276 spectrum 1 weight 0.10000E+01 volume 0.61443E-03 ppm1 8.183 ppm2 2.889 CV 1 ASSI { 277} (( segid "HID " and resid 611 and name HB1 )) (( segid "HID " and resid 612 and name HN )) 3.900 1.900 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 8.186 ppm2 2.986 CV 1 ASSI { 278} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 612 and name HN )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 8.188 ppm2 1.674 CV 1 ASSI { 279} (( segid "HID " and resid 612 and name HG1 )) (( segid "HID " and resid 612 and name HN )) 2.900 1.100 1.100 peak 279 spectrum 1 weight 0.10000E+01 volume 0.25322E-02 ppm1 8.187 ppm2 1.524 CV 1 OR { 279} (( segid "HID " and resid 612 and name HG2 )) (( segid "HID " and resid 612 and name HN )) ASSI { 280} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 612 and name HN )) 3.200 1.300 1.300 peak 280 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 8.185 ppm2 1.787 CV 1 ASSI { 282} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 613 and name HN )) 3.100 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.19271E-02 ppm1 8.332 ppm2 2.892 CV 1 OR { 282} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 613 and name HN )) ASSI { 283} (( segid "HID " and resid 612 and name HB1 )) (( segid "HID " and resid 613 and name HN )) 3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.12940E-02 ppm1 8.330 ppm2 1.773 CV 1 ASSI { 284} (( segid "HID " and resid 612 and name HB2 )) (( segid "HID " and resid 613 and name HN )) 3.300 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.11218E-02 ppm1 8.331 ppm2 1.693 CV 1 ASSI { 285} (( segid "HID " and resid 613 and name HA )) (( segid "HID " and resid 614 and name HN )) 3.000 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.17549E-02 ppm1 8.700 ppm2 4.348 CV 1 ASSI { 286} (( segid "HID " and resid 614 and name HA )) (( segid "HID " and resid 614 and name HN )) 3.600 1.600 1.600 peak 286 spectrum 1 weight 0.10000E+01 volume 0.60511E-03 ppm1 8.697 ppm2 4.149 CV 1 ASSI { 287} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 614 and name HN )) 3.800 1.800 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 8.699 ppm2 2.889 CV 1 OR { 287} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 614 and name HN )) ASSI { 288} (( segid "HID " and resid 614 and name HG1 )) (( segid "HID " and resid 614 and name HN )) 3.400 1.500 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.11963E-02 ppm1 8.699 ppm2 2.218 CV 1 OR { 288} (( segid "HID " and resid 614 and name HG2 )) (( segid "HID " and resid 614 and name HN )) ASSI { 289} (( segid "HID " and resid 614 and name HB1 )) (( segid "HID " and resid 614 and name HN )) 3.700 1.700 1.700 peak 289 spectrum 1 weight 0.10000E+01 volume 0.67495E-03 ppm1 8.704 ppm2 2.032 CV 1 ASSI { 290} (( segid "HID " and resid 614 and name HB2 )) (( segid "HID " and resid 614 and name HN )) 3.100 1.200 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.14383E-02 ppm1 8.698 ppm2 1.921 CV 1 ASSI { 294} (( segid "HID " and resid 615 and name HB1 )) (( segid "HID " and resid 615 and name HN )) 2.900 1.100 1.100 peak 294 spectrum 1 weight 0.10000E+01 volume 0.39939E-02 ppm1 8.111 ppm2 2.734 CV 1 ASSI { 298} (( segid "HID " and resid 615 and name HA )) (( segid "HID " and resid 616 and name HN )) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.62841E-02 ppm1 8.376 ppm2 4.523 CV 1 ASSI { 299} (( segid "HID " and resid 616 and name HA )) (( segid "HID " and resid 616 and name HN )) 2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.44966E-02 ppm1 8.376 ppm2 4.120 CV 1 ASSI { 300} (( segid "HID " and resid 613 and name HA )) (( segid "HID " and resid 616 and name HN )) 3.900 1.900 1.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.52600E-03 ppm1 8.378 ppm2 4.364 CV 1 ASSI { 302} (( segid "HID " and resid 617 and name HB2 )) (( segid "HID " and resid 616 and name HN )) 4.700 2.800 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.39473E-03 ppm1 8.375 ppm2 1.532 CV 1 OR { 302} (( segid "HID " and resid 617 and name HB1 )) (( segid "HID " and resid 616 and name HN )) ASSI { 303} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 616 and name HN )) 5.000 3.200 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.37518E-03 ppm1 8.372 ppm2 1.336 CV 1 OR { 303} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 616 and name HN )) ASSI { 305} (( segid "HID " and resid 720 and name HG1 )) (( segid "HID " and resid 720 and name HN )) 3.200 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.27185E-02 ppm1 8.126 ppm2 2.359 CV 1 ASSI { 307} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 720 and name HN )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.66097E-02 ppm1 8.127 ppm2 1.798 CV 1 OR { 307} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 720 and name HN )) ASSI { 309} (( segid "HID " and resid 724 and name HB2 )) (( segid "HID " and resid 724 and name HN )) 2.400 0.700 0.700 peak 309 spectrum 1 weight 0.10000E+01 volume 0.78668E-02 ppm1 8.035 ppm2 1.603 CV 1 OR { 309} (( segid "HID " and resid 724 and name HB1 )) (( segid "HID " and resid 724 and name HN )) ASSI { 310} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 724 and name HN )) 3.300 1.400 1.400 peak 310 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 8.036 ppm2 1.221 CV 1 OR { 310} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 724 and name HN )) ASSI { 312} (( segid "HID " and resid 618 and name HB2 )) (( segid "HID " and resid 619 and name HN )) 3.700 1.700 1.700 peak 312 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 8.122 ppm2 3.024 CV 1 ASSI { 313} (( segid "HID " and resid 618 and name HB1 )) (( segid "HID " and resid 619 and name HN )) 2.800 1.000 1.000 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15827E-02 ppm1 8.125 ppm2 3.191 CV 1 ASSI { 314} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 619 and name HN )) 2.700 0.900 0.900 peak 314 spectrum 1 weight 0.10000E+01 volume 0.30862E-02 ppm1 8.122 ppm2 4.010 CV 1 ASSI { 315} (( segid "HID " and resid 618 and name HA )) (( segid "HID " and resid 619 and name HN )) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.29791E-02 ppm1 8.123 ppm2 4.492 CV 1 ASSI { 318} (( segid "HID " and resid 725 and name HA )) (( segid "HID " and resid 725 and name HN )) 2.600 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.38263E-02 ppm1 7.831 ppm2 4.454 CV 1 ASSI { 319} (( segid "HID " and resid 724 and name HA )) (( segid "HID " and resid 725 and name HN )) 2.300 0.700 0.700 peak 319 spectrum 1 weight 0.10000E+01 volume 0.74014E-02 ppm1 7.831 ppm2 4.124 CV 1 ASSI { 320} (( segid "HID " and resid 725 and name HB1 )) (( segid "HID " and resid 725 and name HN )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.38682E-02 ppm1 7.831 ppm2 2.954 CV 1 ASSI { 321} (( segid "HID " and resid 725 and name HB2 )) (( segid "HID " and resid 725 and name HN )) 2.400 0.700 0.700 peak 321 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 7.831 ppm2 2.838 CV 1 ASSI { 323} (( segid "HID " and resid 724 and name HG2 )) (( segid "HID " and resid 725 and name HN )) 2.600 0.800 0.800 peak 323 spectrum 1 weight 0.10000E+01 volume 0.62375E-02 ppm1 7.816 ppm2 1.203 CV 1 OR { 323} (( segid "HID " and resid 724 and name HG1 )) (( segid "HID " and resid 725 and name HN )) ASSI { 328} (( segid "HID " and resid 617 and name HG1 )) (( segid "HID " and resid 620 and name HN )) 3.100 1.200 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.23461E-02 ppm1 7.814 ppm2 1.368 CV 1 OR { 328} (( segid "HID " and resid 617 and name HG2 )) (( segid "HID " and resid 620 and name HN )) ASSI { 331} (( segid "HID " and resid 621 and name HA )) (( segid "HID " and resid 621 and name HN )) 2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.29838E-02 ppm1 7.792 ppm2 4.334 CV 1 ASSI { 332} (( segid "HID " and resid 663 and name HA )) (( segid "HID " and resid 664 and name HN )) 3.000 1.200 1.200 peak 332 spectrum 1 weight 0.10000E+01 volume 0.17409E-02 ppm1 7.818 ppm2 4.175 CV 1 ASSI { 334} (( segid "HID " and resid 664 and name HA )) (( segid "HID " and resid 664 and name HN )) 2.800 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.28627E-02 ppm1 7.822 ppm2 3.746 CV 1 ASSI { 335} (( segid "HID " and resid 621 and name HB2 )) (( segid "HID " and resid 621 and name HN )) 2.600 0.800 0.800 peak 335 spectrum 1 weight 0.10000E+01 volume 0.36215E-02 ppm1 7.790 ppm2 2.643 CV 1 ASSI { 336} (( segid "HID " and resid 621 and name HB1 )) (( segid "HID " and resid 621 and name HN )) 2.600 0.900 0.900 peak 336 spectrum 1 weight 0.10000E+01 volume 0.44268E-02 ppm1 7.792 ppm2 2.800 CV 1 ASSI { 339} (( segid "HID " and resid 620 and name HB1 )) (( segid "HID " and resid 621 and name HN )) 2.800 1.000 1.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.23600E-02 ppm1 7.792 ppm2 1.678 CV 1 ASSI { 340} (( segid "HID " and resid 620 and name HB2 )) (( segid "HID " and resid 621 and name HN )) 3.100 1.200 1.200 peak 340 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 7.791 ppm2 1.578 CV 1 OR { 340} (( segid "HID " and resid 620 and name HG )) (( segid "HID " and resid 621 and name HN )) ASSI { 343} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 664 and name HN )) 2.600 0.900 0.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.29512E-02 ppm1 7.819 ppm2 0.971 CV 1 ASSI { 344} (( segid "HID " and resid 621 and name HA )) (( segid "HID " and resid 622 and name HN )) 3.600 1.700 1.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.64705E-03 ppm1 7.528 ppm2 4.328 CV 1 ASSI { 345} (( segid "HID " and resid 619 and name HA )) (( segid "HID " and resid 622 and name HN )) 3.000 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 7.537 ppm2 4.006 CV 1 ASSI { 346} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 622 and name HN )) 2.900 1.000 1.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.20574E-02 ppm1 7.531 ppm2 3.719 CV 1 ASSI { 347} (( segid "HID " and resid 621 and name HB1 )) (( segid "HID " and resid 622 and name HN )) 2.900 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.17595E-02 ppm1 7.530 ppm2 2.796 CV 1 ASSI { 348} (( segid "HID " and resid 621 and name HB2 )) (( segid "HID " and resid 622 and name HN )) 3.600 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 7.527 ppm2 2.637 CV 1 ASSI { 349} (( segid "HID " and resid 622 and name HB )) (( segid "HID " and resid 622 and name HN )) 2.300 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.69825E-02 ppm1 7.531 ppm2 2.086 CV 1 ASSI { 350} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 622 and name HN )) 2.400 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.70286E-02 ppm1 7.530 ppm2 0.855 CV 1 ASSI { 351} ( segid "HID " and resid 623 and name HG1%) (( segid "HID " and resid 622 and name HN )) 4.100 2.100 1.900 peak 351 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 7.534 ppm2 0.495 CV 1 ASSI { 353} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 623 and name HN )) 3.500 1.500 1.500 peak 353 spectrum 1 weight 0.10000E+01 volume 0.83788E-03 ppm1 8.173 ppm2 3.721 CV 1 ASSI { 354} (( segid "HID " and resid 623 and name HA )) (( segid "HID " and resid 623 and name HN )) 3.100 1.200 1.200 peak 354 spectrum 1 weight 0.10000E+01 volume 0.14198E-02 ppm1 8.173 ppm2 3.276 CV 1 ASSI { 355} (( segid "HID " and resid 622 and name HB )) (( segid "HID " and resid 623 and name HN )) 2.600 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.32537E-02 ppm1 8.174 ppm2 2.083 CV 1 ASSI { 356} (( segid "HID " and resid 623 and name HB )) (( segid "HID " and resid 623 and name HN )) 2.600 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.30257E-02 ppm1 8.172 ppm2 1.901 CV 1 ASSI { 357} ( segid "HID " and resid 622 and name HG1%) (( segid "HID " and resid 623 and name HN )) 3.000 1.200 1.200 peak 357 spectrum 1 weight 0.10000E+01 volume 0.38124E-02 ppm1 8.173 ppm2 0.853 CV 1 OR { 357} ( segid "HID " and resid 622 and name HG2%) (( segid "HID " and resid 623 and name HN )) ASSI { 358} ( segid "HID " and resid 623 and name HG1%) (( segid "HID " and resid 623 and name HN )) 2.600 0.900 0.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 8.170 ppm2 0.494 CV 1 ASSI { 359} ( segid "HID " and resid 623 and name HG2%) (( segid "HID " and resid 623 and name HN )) 3.700 3.700 2.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 8.168 ppm2 0.007 CV 1 ASSI { 360} (( segid "HID " and resid 621 and name HA )) (( segid "HID " and resid 624 and name HN )) 3.600 1.600 1.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 8.557 ppm2 4.331 CV 1 ASSI { 361} (( segid "HID " and resid 624 and name HA )) (( segid "HID " and resid 624 and name HN )) 3.400 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.67029E-03 ppm1 8.556 ppm2 4.197 CV 1 ASSI { 362} (( segid "HID " and resid 624 and name HB1 )) (( segid "HID " and resid 624 and name HN )) 3.900 1.900 1.900 peak 362 spectrum 1 weight 0.10000E+01 volume 0.14616E-02 ppm1 8.559 ppm2 2.102 CV 1 ASSI { 363} (( segid "HID " and resid 623 and name HB )) (( segid "HID " and resid 624 and name HN )) 3.500 1.500 1.500 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11079E-02 ppm1 8.560 ppm2 1.888 CV 1 ASSI { 364} (( segid "HID " and resid 624 and name HG )) (( segid "HID " and resid 624 and name HN )) 3.700 1.700 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.16571E-02 ppm1 8.560 ppm2 1.764 CV 1 ASSI { 365} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 624 and name HN )) 2.500 0.800 0.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.19783E-02 ppm1 8.561 ppm2 1.620 CV 1 ASSI { 366} ( segid "HID " and resid 624 and name HD1%) (( segid "HID " and resid 624 and name HN )) 4.300 2.300 1.700 peak 366 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 8.558 ppm2 1.290 CV 1 ASSI { 368} ( segid "HID " and resid 623 and name HG1%) (( segid "HID " and resid 624 and name HN )) 3.500 1.600 1.600 peak 368 spectrum 1 weight 0.10000E+01 volume 0.44687E-03 ppm1 8.563 ppm2 0.506 CV 1 ASSI { 369} ( segid "HID " and resid 623 and name HG2%) (( segid "HID " and resid 624 and name HN )) 4.000 4.000 2.000 peak 369 spectrum 1 weight 0.10000E+01 volume 0.58651E-03 ppm1 8.550 ppm2 0.020 CV 1 ASSI { 371} (( segid "HID " and resid 622 and name HA )) (( segid "HID " and resid 625 and name HN )) 3.300 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.11358E-02 ppm1 8.155 ppm2 3.718 CV 1 ASSI { 372} (( segid "HID " and resid 624 and name HB2 )) (( segid "HID " and resid 625 and name HN )) 2.800 1.000 1.000 peak 372 spectrum 1 weight 0.10000E+01 volume 0.19830E-02 ppm1 8.154 ppm2 1.614 CV 1 ASSI { 375} (( segid "HID " and resid 608 and name HA )) (( segid "HID " and resid 609 and name HN )) 3.700 1.700 1.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.55859E-03 ppm1 8.236 ppm2 4.176 CV 1 ASSI { 376} (( segid "HID " and resid 626 and name HB )) (( segid "HID " and resid 626 and name HN )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.30769E-02 ppm1 8.392 ppm2 4.252 CV 1 ASSI { 379} (( segid "HID " and resid 626 and name HA )) (( segid "HID " and resid 626 and name HN )) 2.900 1.000 1.000 peak 379 spectrum 1 weight 0.10000E+01 volume 0.19643E-02 ppm1 8.394 ppm2 3.973 CV 1 ASSI { 382} ( segid "HID " and resid 626 and name HG2%) (( segid "HID " and resid 626 and name HN )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.37378E-02 ppm1 8.391 ppm2 1.297 CV 1 ASSI { 383} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 632 and name HN )) 2.900 1.100 1.100 peak 383 spectrum 1 weight 0.10000E+01 volume 0.31048E-02 ppm1 8.400 ppm2 0.812 CV 1 ASSI { 384} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 632 and name HN )) 3.400 1.500 1.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.13080E-02 ppm1 8.399 ppm2 0.961 CV 1 OR { 384} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 632 and name HN )) ASSI { 385} ( segid "HID " and resid 633 and name HG1%) (( segid "HID " and resid 632 and name HN )) 4.000 2.000 2.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.67029E-03 ppm1 8.401 ppm2 1.108 CV 1 ASSI { 386} ( segid "HID " and resid 626 and name HG2%) (( segid "HID " and resid 627 and name HN )) 3.900 1.900 1.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.66097E-03 ppm1 8.317 ppm2 1.275 CV 1 ASSI { 387} (( segid "HID " and resid 627 and name HB2 )) (( segid "HID " and resid 627 and name HN )) 3.500 1.500 1.500 peak 387 spectrum 1 weight 0.10000E+01 volume 0.66097E-03 ppm1 8.321 ppm2 2.923 CV 1 ASSI { 388} (( segid "HID " and resid 627 and name HB1 )) (( segid "HID " and resid 627 and name HN )) 3.300 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.83788E-03 ppm1 8.337 ppm2 3.306 CV 1 ASSI { 391} (( segid "HID " and resid 627 and name HA )) (( segid "HID " and resid 627 and name HN )) 3.400 1.400 1.400 peak 391 spectrum 1 weight 0.10000E+01 volume 0.71218E-03 ppm1 8.334 ppm2 4.428 CV 1 ASSI { 392} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 692 and name HN )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 8.378 ppm2 4.386 CV 1 ASSI { 395} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 692 and name HN )) 3.900 1.900 1.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.60977E-03 ppm1 8.374 ppm2 3.028 CV 1 ASSI { 396} (( segid "HID " and resid 628 and name HB1 )) (( segid "HID " and resid 628 and name HN )) 2.400 0.700 0.700 peak 396 spectrum 1 weight 0.10000E+01 volume 0.52600E-02 ppm1 8.386 ppm2 1.890 CV 1 OR { 396} (( segid "HID " and resid 628 and name HB2 )) (( segid "HID " and resid 628 and name HN )) ASSI { 398} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 692 and name HN )) 2.400 0.700 0.700 peak 398 spectrum 1 weight 0.10000E+01 volume 0.56324E-02 ppm1 8.378 ppm2 1.793 CV 1 ASSI { 399} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 692 and name HN )) 2.200 0.600 0.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.80992E-02 ppm1 8.376 ppm2 1.241 CV 1 ASSI { 404} (( segid "HID " and resid 718 and name HB1 )) (( segid "HID " and resid 719 and name HN )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.15780E-02 ppm1 8.057 ppm2 3.293 CV 1 ASSI { 406} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 629 and name HN )) 2.600 0.800 0.800 peak 406 spectrum 1 weight 0.10000E+01 volume 0.43849E-02 ppm1 8.051 ppm2 1.625 CV 1 ASSI { 407} (( segid "HID " and resid 719 and name HB2 )) (( segid "HID " and resid 719 and name HN )) 2.400 0.700 0.700 peak 407 spectrum 1 weight 0.10000E+01 volume 0.48411E-02 ppm1 8.059 ppm2 1.795 CV 1 OR { 407} (( segid "HID " and resid 719 and name HB1 )) (( segid "HID " and resid 719 and name HN )) ASSI { 409} (( segid "HID " and resid 630 and name HB )) (( segid "HID " and resid 630 and name HN )) 2.800 1.000 1.000 peak 409 spectrum 1 weight 0.10000E+01 volume 0.22064E-02 ppm1 7.650 ppm2 4.230 CV 1 ASSI { 411} (( segid "HID " and resid 630 and name HA )) (( segid "HID " and resid 630 and name HN )) 2.900 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.16478E-02 ppm1 7.651 ppm2 4.063 CV 1 ASSI { 412} ( segid "HID " and resid 629 and name HB% ) (( segid "HID " and resid 630 and name HN )) 2.600 0.900 0.900 peak 412 spectrum 1 weight 0.10000E+01 volume 0.35005E-02 ppm1 7.649 ppm2 1.619 CV 1 ASSI { 413} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 630 and name HN )) 3.800 1.800 1.800 peak 413 spectrum 1 weight 0.10000E+01 volume 0.14244E-02 ppm1 7.653 ppm2 1.173 CV 1 ASSI { 414} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 630 and name HN )) 3.800 1.800 1.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.67495E-03 ppm1 7.652 ppm2 0.951 CV 1 OR { 414} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 630 and name HN )) ASSI { 416} (( segid "HID " and resid 627 and name HD21)) (( segid "HID " and resid 631 and name HN )) 3.200 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.18573E-02 ppm1 8.550 ppm2 8.204 CV 1 ASSI { 418} (( segid "HID " and resid 630 and name HB )) (( segid "HID " and resid 631 and name HN )) 3.300 1.400 1.400 peak 418 spectrum 1 weight 0.10000E+01 volume 0.63307E-03 ppm1 8.535 ppm2 4.228 CV 1 ASSI { 419} (( segid "HID " and resid 631 and name HA )) (( segid "HID " and resid 631 and name HN )) 3.100 1.200 1.200 peak 419 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 8.540 ppm2 3.374 CV 1 ASSI { 420} (( segid "HID " and resid 631 and name HB )) (( segid "HID " and resid 631 and name HN )) 2.700 0.900 0.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.20947E-02 ppm1 8.540 ppm2 2.179 CV 1 ASSI { 422} ( segid "HID " and resid 630 and name HG2%) (( segid "HID " and resid 631 and name HN )) 4.100 2.100 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.48876E-03 ppm1 8.528 ppm2 1.176 CV 1 ASSI { 423} ( segid "HID " and resid 628 and name HD1%) (( segid "HID " and resid 631 and name HN )) 3.800 1.800 1.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.80066E-03 ppm1 8.536 ppm2 0.956 CV 1 OR { 423} ( segid "HID " and resid 628 and name HD2%) (( segid "HID " and resid 631 and name HN )) ASSI { 424} ( segid "HID " and resid 631 and name HG2%) (( segid "HID " and resid 631 and name HN )) 3.400 1.500 1.500 peak 424 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 8.537 ppm2 0.806 CV 1 ASSI { 425} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 631 and name HN )) 2.600 0.900 0.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.20155E-02 ppm1 8.542 ppm2 0.709 CV 1 OR { 425} (( segid "HID " and resid 631 and name HG12)) (( segid "HID " and resid 631 and name HN )) ASSI { 426} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 631 and name HN )) 3.600 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.17409E-02 ppm1 8.539 ppm2 0.747 CV 1 ASSI { 428} (( segid "HID " and resid 631 and name HA )) (( segid "HID " and resid 632 and name HN )) 3.900 1.900 1.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.35703E-03 ppm1 8.403 ppm2 3.383 CV 1 ASSI { 431} (( segid "HID " and resid 633 and name HA )) (( segid "HID " and resid 633 and name HN )) 2.500 0.800 0.800 peak 431 spectrum 1 weight 0.10000E+01 volume 0.44593E-02 ppm1 7.479 ppm2 3.896 CV 1 ASSI { 435} (( segid "HID " and resid 633 and name HB )) (( segid "HID " and resid 633 and name HN )) 2.400 0.700 0.700 peak 435 spectrum 1 weight 0.10000E+01 volume 0.60977E-02 ppm1 7.475 ppm2 2.085 CV 1 ASSI { 438} ( segid "HID " and resid 633 and name HG1%) (( segid "HID " and resid 633 and name HN )) 2.400 0.700 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.36680E-02 ppm1 7.473 ppm2 1.109 CV 1 ASSI { 439} ( segid "HID " and resid 633 and name HG2%) (( segid "HID " and resid 633 and name HN )) 3.300 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.32165E-02 ppm1 7.474 ppm2 0.834 CV 1 ASSI { 445} (( segid "HID " and resid 634 and name HB2 )) (( segid "HID " and resid 634 and name HN )) 2.400 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.25928E-02 ppm1 8.176 ppm2 1.356 CV 1 ASSI { 447} ( segid "HID " and resid 633 and name HG1%) (( segid "HID " and resid 634 and name HN )) 2.600 0.900 0.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 8.174 ppm2 1.106 CV 1 ASSI { 450} (( segid "HID " and resid 635 and name HA )) (( segid "HID " and resid 635 and name HN )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.11684E-02 ppm1 9.337 ppm2 3.903 CV 1 ASSI { 451} (( segid "HID " and resid 635 and name HG1 )) (( segid "HID " and resid 635 and name HN )) 3.000 1.200 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.16246E-02 ppm1 9.338 ppm2 2.578 CV 1 ASSI { 452} (( segid "HID " and resid 635 and name HB1 )) (( segid "HID " and resid 635 and name HN )) 3.500 1.500 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.27603E-02 ppm1 9.338 ppm2 2.222 CV 1 ASSI { 453} (( segid "HID " and resid 635 and name HG2 )) (( segid "HID " and resid 635 and name HN )) 3.100 1.200 1.200 peak 453 spectrum 1 weight 0.10000E+01 volume 0.27557E-02 ppm1 9.340 ppm2 2.151 CV 1 ASSI { 454} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 635 and name HN )) 2.700 0.900 0.900 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20388E-02 ppm1 9.339 ppm2 1.903 CV 1 ASSI { 455} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 635 and name HN )) 4.400 2.500 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.47480E-03 ppm1 9.337 ppm2 1.604 CV 1 ASSI { 456} (( segid "HID " and resid 634 and name HB1 )) (( segid "HID " and resid 635 and name HN )) 3.700 1.700 1.700 peak 456 spectrum 1 weight 0.10000E+01 volume 0.60511E-03 ppm1 9.335 ppm2 2.028 CV 1 ASSI { 459} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 636 and name HN )) 2.700 0.900 0.900 peak 459 spectrum 1 weight 0.10000E+01 volume 0.36401E-02 ppm1 7.620 ppm2 4.206 CV 1 ASSI { 462} (( segid "HID " and resid 635 and name HG1 )) (( segid "HID " and resid 636 and name HN )) 4.400 2.400 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.67495E-03 ppm1 7.619 ppm2 2.583 CV 1 ASSI { 463} (( segid "HID " and resid 635 and name HB1 )) (( segid "HID " and resid 636 and name HN )) 2.900 1.000 1.000 peak 463 spectrum 1 weight 0.10000E+01 volume 0.38915E-02 ppm1 7.620 ppm2 2.213 CV 1 ASSI { 464} (( segid "HID " and resid 635 and name HB2 )) (( segid "HID " and resid 636 and name HN )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.35424E-02 ppm1 7.620 ppm2 1.906 CV 1 ASSI { 465} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 636 and name HN )) 2.200 0.600 0.600 peak 465 spectrum 1 weight 0.10000E+01 volume 0.10986E-01 ppm1 7.620 ppm2 1.611 CV 1 ASSI { 468} (( segid "HID " and resid 637 and name HA )) (( segid "HID " and resid 637 and name HN )) 3.100 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.12615E-02 ppm1 7.836 ppm2 3.708 CV 1 ASSI { 469} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 637 and name HN )) 4.100 2.100 1.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.37565E-03 ppm1 7.827 ppm2 4.201 CV 1 ASSI { 470} (( segid "HID " and resid 634 and name HA )) (( segid "HID " and resid 637 and name HN )) 3.600 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.53996E-03 ppm1 7.838 ppm2 4.104 CV 1 ASSI { 472} (( segid "HID " and resid 637 and name HB )) (( segid "HID " and resid 637 and name HN )) 2.500 0.800 0.800 peak 472 spectrum 1 weight 0.10000E+01 volume 0.43104E-02 ppm1 7.837 ppm2 2.099 CV 1 ASSI { 473} (( segid "HID " and resid 637 and name HG11)) (( segid "HID " and resid 637 and name HN )) 3.000 1.100 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.27929E-02 ppm1 7.833 ppm2 1.907 CV 1 ASSI { 475} ( segid "HID " and resid 636 and name HB% ) (( segid "HID " and resid 637 and name HN )) 3.000 1.100 1.100 peak 475 spectrum 1 weight 0.10000E+01 volume 0.16897E-02 ppm1 7.836 ppm2 1.612 CV 1 ASSI { 476} (( segid "HID " and resid 637 and name HG12)) (( segid "HID " and resid 637 and name HN )) 3.000 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.91233E-03 ppm1 7.836 ppm2 1.324 CV 1 ASSI { 477} ( segid "HID " and resid 637 and name HD1%) (( segid "HID " and resid 637 and name HN )) 3.500 1.500 1.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.17502E-02 ppm1 7.836 ppm2 0.955 CV 1 OR { 477} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 637 and name HN )) ASSI { 480} (( segid "HID " and resid 637 and name HA )) (( segid "HID " and resid 638 and name HN )) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.43337E-03 ppm1 8.674 ppm2 3.708 CV 1 ASSI { 481} (( segid "HID " and resid 638 and name HB1 )) (( segid "HID " and resid 638 and name HN )) 2.800 1.000 1.000 peak 481 spectrum 1 weight 0.10000E+01 volume 0.30676E-02 ppm1 8.667 ppm2 2.228 CV 1 OR { 481} (( segid "HID " and resid 638 and name HG1 )) (( segid "HID " and resid 638 and name HN )) ASSI { 482} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 638 and name HN )) 2.500 0.800 0.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.34958E-02 ppm1 8.669 ppm2 2.002 CV 1 ASSI { 484} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 682 and name HN )) 2.400 0.700 0.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.66563E-02 ppm1 8.638 ppm2 0.844 CV 1 OR { 484} ( segid "HID " and resid 682 and name HD1%) (( segid "HID " and resid 682 and name HN )) ASSI { 485} ( segid "HID " and resid 637 and name HG2%) (( segid "HID " and resid 638 and name HN )) 3.000 1.100 1.100 peak 485 spectrum 1 weight 0.10000E+01 volume 0.25648E-02 ppm1 8.663 ppm2 0.950 CV 1 ASSI { 486} ( segid "HID " and resid 681 and name HG2%) (( segid "HID " and resid 682 and name HN )) 3.800 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.81924E-03 ppm1 8.633 ppm2 0.505 CV 1 ASSI { 488} (( segid "HID " and resid 636 and name HA )) (( segid "HID " and resid 639 and name HN )) 3.000 1.100 1.100 peak 488 spectrum 1 weight 0.10000E+01 volume 0.17316E-02 ppm1 7.998 ppm2 4.209 CV 1 ASSI { 489} (( segid "HID " and resid 638 and name HB1 )) (( segid "HID " and resid 639 and name HN )) 2.900 1.000 1.000 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16664E-02 ppm1 8.004 ppm2 2.228 CV 1 OR { 489} (( segid "HID " and resid 638 and name HG2 )) (( segid "HID " and resid 639 and name HN )) ASSI { 490} (( segid "HID " and resid 637 and name HB )) (( segid "HID " and resid 639 and name HN )) 3.500 1.500 1.500 peak 490 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 8.006 ppm2 2.165 CV 1 ASSI { 491} (( segid "HID " and resid 638 and name HB2 )) (( segid "HID " and resid 639 and name HN )) 3.800 1.800 1.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.14477E-02 ppm1 8.001 ppm2 2.015 CV 1 ASSI { 495} (( segid "HID " and resid 637 and name HA )) (( segid "HID " and resid 641 and name HN )) 3.600 1.600 1.600 peak 495 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 8.380 ppm2 3.721 CV 1 ASSI { 496} (( segid "HID " and resid 701 and name HE2 )) (( segid "HID " and resid 701 and name HN )) 3.100 3.100 2.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.60977E-03 ppm1 8.418 ppm2 2.849 CV 1 OR { 496} (( segid "HID " and resid 701 and name HE1 )) (( segid "HID " and resid 701 and name HN )) ASSI { 497} (( segid "HID " and resid 711 and name HB1 )) (( segid "HID " and resid 711 and name HN )) 2.500 0.800 0.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.46363E-02 ppm1 8.385 ppm2 2.385 CV 1 ASSI { 499} (( segid "HID " and resid 711 and name HB2 )) (( segid "HID " and resid 711 and name HN )) 2.300 0.600 0.600 peak 499 spectrum 1 weight 0.10000E+01 volume 0.68427E-02 ppm1 8.386 ppm2 2.102 CV 1 ASSI { 500} (( segid "HID " and resid 701 and name HB2 )) (( segid "HID " and resid 701 and name HN )) 2.200 0.600 0.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.80532E-02 ppm1 8.420 ppm2 1.847 CV 1 OR { 500} (( segid "HID " and resid 701 and name HB1 )) (( segid "HID " and resid 701 and name HN )) ASSI { 505} (( segid "HID " and resid 641 and name HB2 )) (( segid "HID " and resid 641 and name HN )) 2.400 0.700 0.700 peak 505 spectrum 1 weight 0.10000E+01 volume 0.44547E-02 ppm1 8.384 ppm2 1.262 CV 1 ASSI { 507} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 641 and name HN )) 3.300 1.400 1.400 peak 507 spectrum 1 weight 0.10000E+01 volume 0.27045E-02 ppm1 8.384 ppm2 0.623 CV 1 ASSI { 509} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 641 and name HN )) 3.600 1.700 1.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.16152E-02 ppm1 8.384 ppm2 0.444 CV 1 ASSI { 510} (( segid "HID " and resid 642 and name HA )) (( segid "HID " and resid 642 and name HN )) 2.500 0.800 0.800 peak 510 spectrum 1 weight 0.10000E+01 volume 0.43384E-02 ppm1 7.865 ppm2 4.123 CV 1 ASSI { 512} (( segid "HID " and resid 641 and name HA )) (( segid "HID " and resid 642 and name HN )) 3.900 1.900 1.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.50272E-03 ppm1 7.865 ppm2 3.557 CV 1 ASSI { 514} (( segid "HID " and resid 641 and name HB1 )) (( segid "HID " and resid 642 and name HN )) 3.100 1.200 1.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.23647E-02 ppm1 7.869 ppm2 1.767 CV 1 ASSI { 515} (( segid "HID " and resid 641 and name HB2 )) (( segid "HID " and resid 642 and name HN )) 2.900 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.11265E-02 ppm1 7.868 ppm2 1.256 CV 1 ASSI { 516} (( segid "HID " and resid 641 and name HG )) (( segid "HID " and resid 642 and name HN )) 4.100 2.100 1.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.88908E-03 ppm1 7.866 ppm2 1.331 CV 1 ASSI { 517} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 642 and name HN )) 4.800 2.900 1.200 peak 517 spectrum 1 weight 0.10000E+01 volume 0.38775E-03 ppm1 7.868 ppm2 0.630 CV 1 ASSI { 518} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 642 and name HN )) 5.400 3.700 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.25322E-03 ppm1 7.866 ppm2 0.447 CV 1 ASSI { 519} (( segid "HID " and resid 644 and name HA )) (( segid "HID " and resid 643 and name HN )) 4.300 2.300 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.38542E-03 ppm1 7.115 ppm2 4.583 CV 1 ASSI { 520} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 643 and name HN )) 2.500 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.36866E-02 ppm1 7.107 ppm2 4.404 CV 1 ASSI { 521} (( segid "HID " and resid 642 and name HA )) (( segid "HID " and resid 643 and name HN )) 3.200 1.300 1.300 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12010E-02 ppm1 7.108 ppm2 4.126 CV 1 ASSI { 523} (( segid "HID " and resid 643 and name HD2 )) (( segid "HID " and resid 643 and name HN )) 2.800 2.800 3.200 peak 523 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 7.106 ppm2 3.189 CV 1 OR { 523} (( segid "HID " and resid 643 and name HD1 )) (( segid "HID " and resid 643 and name HN )) ASSI { 524} (( segid "HID " and resid 643 and name HB1 )) (( segid "HID " and resid 643 and name HN )) 3.400 1.400 1.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.27045E-02 ppm1 7.108 ppm2 2.064 CV 1 ASSI { 526} (( segid "HID " and resid 643 and name HG2 )) (( segid "HID " and resid 643 and name HN )) 2.500 0.800 0.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.70286E-02 ppm1 7.110 ppm2 1.686 CV 1 ASSI { 527} (( segid "HID " and resid 644 and name HG )) (( segid "HID " and resid 643 and name HN )) 3.100 1.200 1.200 peak 527 spectrum 1 weight 0.10000E+01 volume 0.21785E-02 ppm1 7.108 ppm2 1.915 CV 1 OR { 527} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 643 and name HN )) ASSI { 528} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 643 and name HN )) 4.000 2.000 2.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.50272E-03 ppm1 7.104 ppm2 0.801 CV 1 ASSI { 529} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 643 and name HN )) 4.300 2.300 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.35749E-03 ppm1 7.109 ppm2 0.650 CV 1 ASSI { 530} (( segid "HID " and resid 644 and name HA )) (( segid "HID " and resid 644 and name HN )) 3.400 1.400 1.400 peak 530 spectrum 1 weight 0.10000E+01 volume 0.79600E-03 ppm1 7.451 ppm2 4.589 CV 1 ASSI { 531} (( segid "HID " and resid 643 and name HA )) (( segid "HID " and resid 644 and name HN )) 3.300 1.400 1.400 peak 531 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 7.449 ppm2 4.405 CV 1 ASSI { 532} (( segid "HID " and resid 644 and name HG )) (( segid "HID " and resid 644 and name HN )) 2.800 1.000 1.000 peak 532 spectrum 1 weight 0.10000E+01 volume 0.41708E-02 ppm1 7.449 ppm2 1.909 CV 1 OR { 532} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 644 and name HN )) ASSI { 534} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 644 and name HN )) 3.200 1.300 1.300 peak 534 spectrum 1 weight 0.10000E+01 volume 0.76804E-03 ppm1 7.450 ppm2 1.593 CV 1 ASSI { 535} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 644 and name HN )) 3.800 1.800 1.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.99149E-03 ppm1 7.448 ppm2 0.804 CV 1 ASSI { 536} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 644 and name HN )) 3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 7.448 ppm2 0.653 CV 1 ASSI { 537} (( segid "HID " and resid 644 and name HA )) (( segid "HID " and resid 645 and name HN )) 2.300 0.700 0.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.69825E-02 ppm1 8.842 ppm2 4.589 CV 1 ASSI { 538} (( segid "HID " and resid 645 and name HB1 )) (( segid "HID " and resid 645 and name HN )) 2.600 0.800 0.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.47945E-02 ppm1 8.841 ppm2 4.417 CV 1 OR { 538} (( segid "HID " and resid 645 and name HA )) (( segid "HID " and resid 645 and name HN )) ASSI { 539} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 645 and name HN )) 2.400 0.700 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.62375E-02 ppm1 8.844 ppm2 4.082 CV 1 ASSI { 540} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 645 and name HN )) 3.200 1.300 1.300 peak 540 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 8.841 ppm2 2.426 CV 1 ASSI { 541} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 645 and name HN )) 3.100 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.62375E-02 ppm1 8.841 ppm2 2.297 CV 1 OR { 541} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 645 and name HN )) ASSI { 542} (( segid "HID " and resid 644 and name HB1 )) (( segid "HID " and resid 645 and name HN )) 2.300 0.700 0.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.54462E-02 ppm1 8.838 ppm2 1.943 CV 1 ASSI { 543} (( segid "HID " and resid 644 and name HB2 )) (( segid "HID " and resid 645 and name HN )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.21366E-02 ppm1 8.841 ppm2 1.586 CV 1 ASSI { 544} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 645 and name HN )) 3.300 1.400 1.400 peak 544 spectrum 1 weight 0.10000E+01 volume 0.24298E-02 ppm1 8.842 ppm2 0.804 CV 1 ASSI { 545} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 645 and name HN )) 4.000 2.000 2.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.76338E-03 ppm1 8.842 ppm2 0.655 CV 1 ASSI { 546} (( segid "HID " and resid 645 and name HA )) (( segid "HID " and resid 646 and name HN )) 2.700 0.900 0.900 peak 546 spectrum 1 weight 0.10000E+01 volume 0.30815E-02 ppm1 9.019 ppm2 4.423 CV 1 ASSI { 547} (( segid "HID " and resid 645 and name HB2 )) (( segid "HID " and resid 646 and name HN )) 3.500 1.600 1.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.96819E-03 ppm1 9.014 ppm2 4.101 CV 1 ASSI { 548} (( segid "HID " and resid 646 and name HA )) (( segid "HID " and resid 646 and name HN )) 3.300 1.300 1.300 peak 548 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 9.019 ppm2 3.979 CV 1 ASSI { 549} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 646 and name HN )) 2.700 0.900 0.900 peak 549 spectrum 1 weight 0.10000E+01 volume 0.34539E-02 ppm1 9.018 ppm2 1.472 CV 1 ASSI { 554} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 647 and name HN )) 2.500 0.800 0.800 peak 554 spectrum 1 weight 0.10000E+01 volume 0.49807E-02 ppm1 8.793 ppm2 1.472 CV 1 ASSI { 555} (( segid "HID " and resid 648 and name HB2 )) (( segid "HID " and resid 645 and name HN )) 2.200 0.600 0.600 peak 555 spectrum 1 weight 0.10000E+01 volume 0.55393E-02 ppm1 8.843 ppm2 2.108 CV 1 ASSI { 557} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 648 and name HN )) 3.600 1.700 1.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 7.607 ppm2 2.656 CV 1 ASSI { 558} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 648 and name HN )) 2.400 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 7.609 ppm2 2.425 CV 1 ASSI { 559} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 648 and name HN )) 2.800 1.000 1.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.92165E-02 ppm1 7.610 ppm2 2.289 CV 1 OR { 559} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 648 and name HN )) ASSI { 563} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 648 and name HN )) 3.400 1.500 1.500 peak 563 spectrum 1 weight 0.10000E+01 volume 0.22902E-02 ppm1 7.605 ppm2 1.469 CV 1 ASSI { 564} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 648 and name HN )) 4.900 3.000 1.100 peak 564 spectrum 1 weight 0.10000E+01 volume 0.44221E-03 ppm1 7.607 ppm2 0.805 CV 1 ASSI { 565} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 648 and name HN )) 5.000 3.200 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.33561E-03 ppm1 7.610 ppm2 0.654 CV 1 ASSI { 567} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 649 and name HN )) 2.900 1.100 1.100 peak 567 spectrum 1 weight 0.10000E+01 volume 0.18480E-02 ppm1 9.034 ppm2 3.776 CV 1 ASSI { 568} (( segid "HID " and resid 646 and name HA )) (( segid "HID " and resid 649 and name HN )) 3.400 1.400 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.94029E-03 ppm1 9.034 ppm2 3.978 CV 1 ASSI { 569} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 649 and name HN )) 2.500 0.800 0.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.29418E-02 ppm1 9.033 ppm2 2.658 CV 1 ASSI { 570} (( segid "HID " and resid 648 and name HG1 )) (( segid "HID " and resid 649 and name HN )) 4.200 2.200 1.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.77736E-03 ppm1 9.038 ppm2 2.433 CV 1 ASSI { 571} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 649 and name HN )) 2.900 1.100 1.100 peak 571 spectrum 1 weight 0.10000E+01 volume 0.59119E-02 ppm1 9.034 ppm2 2.210 CV 1 OR { 571} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 649 and name HN )) ASSI { 572} (( segid "HID " and resid 649 and name HB2 )) (( segid "HID " and resid 649 and name HN )) 2.500 2.500 3.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.31234E-02 ppm1 9.034 ppm2 2.072 CV 1 ASSI { 574} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 649 and name HN )) 4.100 2.100 1.900 peak 574 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 9.032 ppm2 1.558 CV 1 ASSI { 575} ( segid "HID " and resid 646 and name HB% ) (( segid "HID " and resid 649 and name HN )) 4.100 2.100 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 9.035 ppm2 1.489 CV 1 ASSI { 576} ( segid "HID " and resid 644 and name HD1%) (( segid "HID " and resid 649 and name HN )) 5.200 3.300 0.800 peak 576 spectrum 1 weight 0.10000E+01 volume 0.12894E-03 ppm1 9.044 ppm2 0.791 CV 1 ASSI { 577} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 649 and name HN )) 4.100 2.100 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.63307E-03 ppm1 9.037 ppm2 0.650 CV 1 ASSI { 578} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 649 and name HN )) 4.400 2.400 1.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.33748E-03 ppm1 9.034 ppm2 0.440 CV 1 ASSI { 579} (( segid "HID " and resid 650 and name HA )) (( segid "HID " and resid 650 and name HN )) 2.800 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.30722E-02 ppm1 7.489 ppm2 4.251 CV 1 ASSI { 581} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 650 and name HN )) 3.600 1.600 1.600 peak 581 spectrum 1 weight 0.10000E+01 volume 0.72150E-03 ppm1 7.490 ppm2 3.778 CV 1 ASSI { 582} (( segid "HID " and resid 649 and name HG1 )) (( segid "HID " and resid 650 and name HN )) 4.400 2.400 1.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.42220E-03 ppm1 7.483 ppm2 2.667 CV 1 ASSI { 583} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 650 and name HN )) 3.100 1.200 1.200 peak 583 spectrum 1 weight 0.10000E+01 volume 0.31560E-02 ppm1 7.490 ppm2 2.206 CV 1 OR { 583} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 650 and name HN )) ASSI { 584} (( segid "HID " and resid 649 and name HB2 )) (( segid "HID " and resid 650 and name HN )) 2.800 1.000 1.000 peak 584 spectrum 1 weight 0.10000E+01 volume 0.20667E-02 ppm1 7.488 ppm2 2.044 CV 1 ASSI { 585} ( segid "HID " and resid 650 and name HB% ) (( segid "HID " and resid 650 and name HN )) 2.200 0.600 0.600 peak 585 spectrum 1 weight 0.10000E+01 volume 0.10241E-01 ppm1 7.489 ppm2 1.554 CV 1 ASSI { 586} (( segid "HID " and resid 649 and name HN )) (( segid "HID " and resid 651 and name HN )) 4.700 2.700 1.300 peak 586 spectrum 1 weight 0.10000E+01 volume 0.17037E-03 ppm1 7.138 ppm2 9.044 CV 1 ASSI { 587} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 651 and name HN )) 2.700 0.900 0.900 peak 587 spectrum 1 weight 0.10000E+01 volume 0.34400E-02 ppm1 7.136 ppm2 4.391 CV 1 ASSI { 588} (( segid "HID " and resid 650 and name HA )) (( segid "HID " and resid 651 and name HN )) 3.200 1.300 1.300 peak 588 spectrum 1 weight 0.10000E+01 volume 0.15407E-02 ppm1 7.136 ppm2 4.259 CV 1 ASSI { 589} (( segid "HID " and resid 648 and name HA )) (( segid "HID " and resid 651 and name HN )) 3.000 1.100 1.100 peak 589 spectrum 1 weight 0.10000E+01 volume 0.19923E-02 ppm1 7.138 ppm2 4.070 CV 1 ASSI { 590} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 651 and name HN )) 4.100 2.100 1.900 peak 590 spectrum 1 weight 0.10000E+01 volume 0.30489E-03 ppm1 7.133 ppm2 3.781 CV 1 ASSI { 591} (( segid "HID " and resid 652 and name HB1 )) (( segid "HID " and resid 651 and name HN )) 4.100 2.100 1.900 peak 591 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 7.138 ppm2 3.156 CV 1 ASSI { 592} (( segid "HID " and resid 651 and name HE1 )) (( segid "HID " and resid 651 and name HN )) 3.500 1.600 1.600 peak 592 spectrum 1 weight 0.10000E+01 volume 0.12708E-02 ppm1 7.131 ppm2 2.984 CV 1 ASSI { 593} (( segid "HID " and resid 648 and name HB1 )) (( segid "HID " and resid 651 and name HN )) 4.500 2.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.32398E-03 ppm1 7.137 ppm2 2.292 CV 1 OR { 593} (( segid "HID " and resid 648 and name HG2 )) (( segid "HID " and resid 651 and name HN )) ASSI { 594} (( segid "HID " and resid 649 and name HB1 )) (( segid "HID " and resid 651 and name HN )) 4.300 2.300 1.700 peak 594 spectrum 1 weight 0.10000E+01 volume 0.55393E-03 ppm1 7.132 ppm2 2.200 CV 1 OR { 594} (( segid "HID " and resid 649 and name HG2 )) (( segid "HID " and resid 651 and name HN )) ASSI { 595} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 651 and name HN )) 2.500 0.800 0.800 peak 595 spectrum 1 weight 0.10000E+01 volume 0.37285E-02 ppm1 7.134 ppm2 2.032 CV 1 ASSI { 596} (( segid "HID " and resid 651 and name HB2 )) (( segid "HID " and resid 651 and name HN )) 2.400 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.58186E-02 ppm1 7.135 ppm2 1.808 CV 1 ASSI { 598} (( segid "HID " and resid 651 and name HA )) (( segid "HID " and resid 652 and name HN )) 3.600 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.91699E-03 ppm1 7.391 ppm2 4.399 CV 1 ASSI { 599} (( segid "HID " and resid 652 and name HA )) (( segid "HID " and resid 652 and name HN )) 2.900 1.100 1.100 peak 599 spectrum 1 weight 0.10000E+01 volume 0.19970E-02 ppm1 7.393 ppm2 4.287 CV 1 ASSI { 600} (( segid "HID " and resid 649 and name HA )) (( segid "HID " and resid 652 and name HN )) 3.500 1.500 1.500 peak 600 spectrum 1 weight 0.10000E+01 volume 0.68427E-03 ppm1 7.388 ppm2 3.767 CV 1 ASSI { 601} (( segid "HID " and resid 652 and name HB1 )) (( segid "HID " and resid 652 and name HN )) 2.400 0.700 0.700 peak 601 spectrum 1 weight 0.10000E+01 volume 0.47014E-02 ppm1 7.393 ppm2 3.161 CV 1 ASSI { 603} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 652 and name HN )) 3.400 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.49807E-03 ppm1 7.389 ppm2 2.012 CV 1 ASSI { 604} (( segid "HID " and resid 651 and name HB2 )) (( segid "HID " and resid 652 and name HN )) 4.300 2.300 1.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 7.389 ppm2 1.814 CV 1 ASSI { 605} (( segid "HID " and resid 651 and name HG1 )) (( segid "HID " and resid 652 and name HN )) 4.700 2.700 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.44361E-03 ppm1 7.390 ppm2 1.671 CV 1 OR { 605} (( segid "HID " and resid 651 and name HD1 )) (( segid "HID " and resid 652 and name HN )) OR { 605} (( segid "HID " and resid 651 and name HD2 )) (( segid "HID " and resid 652 and name HN )) ASSI { 608} ( segid "HID " and resid 644 and name HD2%) (( segid "HID " and resid 652 and name HN )) 4.700 2.800 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.19318E-03 ppm1 7.392 ppm2 0.646 CV 1 ASSI { 610} (( segid "HID " and resid 653 and name HA )) (( segid "HID " and resid 653 and name HN )) 2.800 1.000 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.25183E-02 ppm1 7.637 ppm2 4.548 CV 1 ASSI { 611} (( segid "HID " and resid 652 and name HA )) (( segid "HID " and resid 653 and name HN )) 2.100 0.500 0.500 peak 611 spectrum 1 weight 0.10000E+01 volume 0.13313E-01 ppm1 7.636 ppm2 4.292 CV 1 ASSI { 612} (( segid "HID " and resid 653 and name HD1 )) (( segid "HID " and resid 653 and name HN )) 4.900 3.000 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.38124E-03 ppm1 7.643 ppm2 3.326 CV 1 ASSI { 613} (( segid "HID " and resid 652 and name HB1 )) (( segid "HID " and resid 653 and name HN )) 3.600 1.600 1.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.19085E-02 ppm1 7.636 ppm2 3.183 CV 1 ASSI { 614} (( segid "HID " and resid 652 and name HB2 )) (( segid "HID " and resid 653 and name HN )) 4.100 2.100 1.900 peak 614 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 7.637 ppm2 3.003 CV 1 ASSI { 615} (( segid "HID " and resid 651 and name HB1 )) (( segid "HID " and resid 653 and name HN )) 4.400 2.400 1.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.44221E-03 ppm1 7.639 ppm2 2.030 CV 1 ASSI { 616} (( segid "HID " and resid 653 and name HB1 )) (( segid "HID " and resid 653 and name HN )) 2.800 1.000 1.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.18759E-02 ppm1 7.635 ppm2 1.838 CV 1 ASSI { 617} (( segid "HID " and resid 653 and name HB2 )) (( segid "HID " and resid 653 and name HN )) 2.500 0.800 0.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.56324E-02 ppm1 7.635 ppm2 1.621 CV 1 ASSI { 618} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 653 and name HN )) 3.300 1.300 1.300 peak 618 spectrum 1 weight 0.10000E+01 volume 0.30955E-02 ppm1 7.635 ppm2 1.691 CV 1 OR { 618} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 653 and name HN )) ASSI { 620} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 654 and name HN )) 3.400 1.500 1.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.87044E-03 ppm1 8.529 ppm2 3.962 CV 1 ASSI { 622} (( segid "HID " and resid 653 and name HG2 )) (( segid "HID " and resid 654 and name HN )) 2.500 0.800 0.800 peak 622 spectrum 1 weight 0.10000E+01 volume 0.35470E-02 ppm1 8.530 ppm2 1.698 CV 1 OR { 622} (( segid "HID " and resid 653 and name HG1 )) (( segid "HID " and resid 654 and name HN )) ASSI { 624} ( segid "HID " and resid 654 and name HD2%) (( segid "HID " and resid 654 and name HN )) 3.300 1.400 1.400 peak 624 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 8.530 ppm2 0.885 CV 1 OR { 624} ( segid "HID " and resid 654 and name HD1%) (( segid "HID " and resid 654 and name HN )) ASSI { 626} (( segid "HID " and resid 613 and name HB1 )) (( segid "HID " and resid 615 and name HN )) 3.600 1.600 1.600 peak 626 spectrum 1 weight 0.10000E+01 volume 0.10008E-02 ppm1 8.111 ppm2 2.887 CV 1 OR { 626} (( segid "HID " and resid 613 and name HB2 )) (( segid "HID " and resid 615 and name HN )) ASSI { 628} ( segid "HID " and resid 658 and name HD1%) (( segid "HID " and resid 658 and name HN )) 3.200 1.300 1.300 peak 628 spectrum 1 weight 0.10000E+01 volume 0.17642E-02 ppm1 8.297 ppm2 0.707 CV 1 ASSI { 630} ( segid "HID " and resid 657 and name HG2%) (( segid "HID " and resid 658 and name HN )) 3.600 1.600 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.75412E-03 ppm1 8.297 ppm2 1.176 CV 1 ASSI { 631} (( segid "HID " and resid 658 and name HB2 )) (( segid "HID " and resid 658 and name HN )) 2.700 0.900 0.900 peak 631 spectrum 1 weight 0.10000E+01 volume 0.27743E-02 ppm1 8.300 ppm2 1.514 CV 1 OR { 631} (( segid "HID " and resid 658 and name HG )) (( segid "HID " and resid 658 and name HN )) ASSI { 633} (( segid "HID " and resid 657 and name HA )) (( segid "HID " and resid 658 and name HN )) 2.800 1.000 1.000 peak 633 spectrum 1 weight 0.10000E+01 volume 0.30722E-02 ppm1 8.295 ppm2 4.203 CV 1 ASSI { 634} (( segid "HID " and resid 727 and name HA )) (( segid "HID " and resid 728 and name HN )) 2.300 0.700 0.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.65165E-02 ppm1 8.123 ppm2 4.297 CV 1 ASSI { 635} (( segid "HID " and resid 658 and name HA )) (( segid "HID " and resid 659 and name HN )) 2.900 1.000 1.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.24531E-02 ppm1 8.137 ppm2 4.095 CV 1 ASSI { 636} (( segid "HID " and resid 728 and name HG1 )) (( segid "HID " and resid 728 and name HN )) 3.400 1.400 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 8.123 ppm2 1.438 CV 1 OR { 636} (( segid "HID " and resid 728 and name HG2 )) (( segid "HID " and resid 728 and name HN )) ASSI { 639} (( segid "HID " and resid 728 and name HB1 )) (( segid "HID " and resid 728 and name HN )) 3.600 1.600 1.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 8.124 ppm2 1.864 CV 1 ASSI { 640} ( segid "HID " and resid 727 and name HD2%) (( segid "HID " and resid 728 and name HN )) 4.400 2.400 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.58651E-03 ppm1 8.124 ppm2 0.866 CV 1 OR { 640} ( segid "HID " and resid 727 and name HD1%) (( segid "HID " and resid 728 and name HN )) ASSI { 641} (( segid "HID " and resid 659 and name HA1 )) (( segid "HID " and resid 659 and name HN )) 2.500 0.800 0.800 peak 641 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 8.144 ppm2 3.983 CV 1 OR { 641} (( segid "HID " and resid 659 and name HA2 )) (( segid "HID " and resid 659 and name HN )) ASSI { 642} ( segid "HID " and resid 696 and name HG2%) (( segid "HID " and resid 696 and name HN )) 2.300 0.600 0.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.65165E-02 ppm1 8.155 ppm2 1.024 CV 1 ASSI { 643} (( segid "HID " and resid 717 and name HA )) (( segid "HID " and resid 720 and name HN )) 2.900 1.000 1.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.24624E-02 ppm1 8.128 ppm2 3.962 CV 1 ASSI { 644} (( segid "HID " and resid 694 and name HB1 )) (( segid "HID " and resid 695 and name HN )) 4.200 2.200 1.800 peak 644 spectrum 1 weight 0.10000E+01 volume 0.79134E-03 ppm1 6.517 ppm2 2.314 CV 1 ASSI { 645} (( segid "HID " and resid 694 and name HG1 )) (( segid "HID " and resid 695 and name HN )) 4.100 2.100 1.900 peak 645 spectrum 1 weight 0.10000E+01 volume 0.84254E-03 ppm1 6.518 ppm2 2.137 CV 1 ASSI { 646} (( segid "HID " and resid 661 and name HA )) (( segid "HID " and resid 662 and name HN )) 3.500 1.600 1.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.78668E-03 ppm1 8.155 ppm2 4.302 CV 1 OR { 646} (( segid "HID " and resid 661 and name HB )) (( segid "HID " and resid 662 and name HN )) ASSI { 647} (( segid "HID " and resid 662 and name HB2 )) (( segid "HID " and resid 662 and name HN )) 4.300 2.300 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.19830E-03 ppm1 8.156 ppm2 3.808 CV 1 ASSI { 648} (( segid "HID " and resid 662 and name HA )) (( segid "HID " and resid 663 and name HN )) 3.400 1.500 1.500 peak 648 spectrum 1 weight 0.10000E+01 volume 0.77270E-03 ppm1 8.281 ppm2 4.529 CV 1 ASSI { 649} (( segid "HID " and resid 694 and name HB2 )) (( segid "HID " and resid 695 and name HN )) 2.600 0.900 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 6.515 ppm2 1.866 CV 1 ASSI { 651} (( segid "HID " and resid 664 and name HB )) (( segid "HID " and resid 665 and name HN )) 3.300 1.300 1.300 peak 651 spectrum 1 weight 0.10000E+01 volume 0.25136E-02 ppm1 7.508 ppm2 2.049 CV 1 ASSI { 652} (( segid "HID " and resid 665 and name HB )) (( segid "HID " and resid 665 and name HN )) 2.700 0.900 0.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.29605E-02 ppm1 7.506 ppm2 1.652 CV 1 ASSI { 653} (( segid "HID " and resid 665 and name HG11)) (( segid "HID " and resid 665 and name HN )) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.12522E-02 ppm1 7.507 ppm2 1.404 CV 1 ASSI { 654} (( segid "HID " and resid 665 and name HG12)) (( segid "HID " and resid 665 and name HN )) 3.000 1.200 1.200 peak 654 spectrum 1 weight 0.10000E+01 volume 0.15734E-02 ppm1 7.505 ppm2 1.112 CV 1 ASSI { 655} ( segid "HID " and resid 664 and name HG2%) (( segid "HID " and resid 665 and name HN )) 3.600 1.600 1.600 peak 655 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 7.501 ppm2 0.895 CV 1 ASSI { 656} ( segid "HID " and resid 665 and name HG2%) (( segid "HID " and resid 665 and name HN )) 3.100 1.200 1.200 peak 656 spectrum 1 weight 0.10000E+01 volume 0.18619E-02 ppm1 7.508 ppm2 0.746 CV 1 ASSI { 657} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 668 and name HN )) 2.800 1.000 1.000 peak 657 spectrum 1 weight 0.10000E+01 volume 0.15873E-02 ppm1 8.120 ppm2 1.825 CV 1 ASSI { 660} (( segid "HID " and resid 668 and name HG2 )) (( segid "HID " and resid 668 and name HN )) 4.700 2.800 1.300 peak 660 spectrum 1 weight 0.10000E+01 volume 0.36541E-03 ppm1 8.134 ppm2 1.439 CV 1 ASSI { 662} (( segid "HID " and resid 669 and name HA )) (( segid "HID " and resid 669 and name HN )) 3.300 1.400 1.400 peak 662 spectrum 1 weight 0.10000E+01 volume 0.83788E-03 ppm1 8.066 ppm2 4.156 CV 1 ASSI { 663} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 669 and name HN )) 3.800 1.800 1.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.53996E-03 ppm1 8.064 ppm2 4.047 CV 1 ASSI { 665} (( segid "HID " and resid 668 and name HB1 )) (( segid "HID " and resid 669 and name HN )) 3.000 1.100 1.100 peak 665 spectrum 1 weight 0.10000E+01 volume 0.77736E-03 ppm1 8.068 ppm2 1.960 CV 1 ASSI { 666} (( segid "HID " and resid 668 and name HB2 )) (( segid "HID " and resid 669 and name HN )) 3.800 1.800 1.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.12428E-02 ppm1 8.067 ppm2 1.818 CV 1 ASSI { 667} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 669 and name HN )) 2.600 0.800 0.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.34446E-02 ppm1 8.068 ppm2 1.665 CV 1 ASSI { 668} ( segid "HID " and resid 626 and name HG2%) (( segid "HID " and resid 669 and name HN )) 3.400 1.500 1.500 peak 668 spectrum 1 weight 0.10000E+01 volume 0.88442E-03 ppm1 8.067 ppm2 1.298 CV 1 ASSI { 669} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 671 and name HN )) 3.400 1.400 1.400 peak 669 spectrum 1 weight 0.10000E+01 volume 0.90307E-03 ppm1 9.006 ppm2 4.518 CV 1 ASSI { 670} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 671 and name HN )) 2.900 1.000 1.000 peak 670 spectrum 1 weight 0.10000E+01 volume 0.19737E-02 ppm1 9.006 ppm2 4.127 CV 1 ASSI { 671} (( segid "HID " and resid 668 and name HA )) (( segid "HID " and resid 671 and name HN )) 3.100 1.200 1.200 peak 671 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 9.008 ppm2 4.052 CV 1 ASSI { 672} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 671 and name HN )) 2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.36913E-02 ppm1 9.007 ppm2 2.448 CV 1 OR { 672} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 671 and name HN )) ASSI { 673} (( segid "HID " and resid 671 and name HB1 )) (( segid "HID " and resid 671 and name HN )) 3.200 1.300 1.300 peak 673 spectrum 1 weight 0.10000E+01 volume 0.45804E-02 ppm1 9.007 ppm2 2.212 CV 1 ASSI { 677} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 671 and name HN )) 4.200 2.200 1.800 peak 677 spectrum 1 weight 0.10000E+01 volume 0.45105E-03 ppm1 9.005 ppm2 0.957 CV 1 ASSI { 683} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 672 and name HN )) 4.700 2.800 1.300 peak 683 spectrum 1 weight 0.10000E+01 volume 0.40032E-03 ppm1 7.736 ppm2 2.447 CV 1 OR { 683} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 672 and name HN )) ASSI { 686} (( segid "HID " and resid 673 and name HA )) (( segid "HID " and resid 673 and name HN )) 3.700 1.700 1.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.37658E-03 ppm1 6.547 ppm2 5.173 CV 1 ASSI { 687} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 673 and name HN )) 3.800 1.800 1.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.53531E-03 ppm1 6.550 ppm2 4.501 CV 1 ASSI { 688} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 673 and name HN )) 3.600 1.700 1.700 peak 688 spectrum 1 weight 0.10000E+01 volume 0.69359E-03 ppm1 6.558 ppm2 4.167 CV 1 ASSI { 689} (( segid "HID " and resid 672 and name HA )) (( segid "HID " and resid 673 and name HN )) 3.500 1.500 1.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.59585E-03 ppm1 6.552 ppm2 3.981 CV 1 ASSI { 690} (( segid "HID " and resid 672 and name HB1 )) (( segid "HID " and resid 673 and name HN )) 3.000 1.100 1.100 peak 690 spectrum 1 weight 0.10000E+01 volume 0.20574E-02 ppm1 6.553 ppm2 2.034 CV 1 OR { 690} (( segid "HID " and resid 672 and name HB2 )) (( segid "HID " and resid 673 and name HN )) ASSI { 691} (( segid "HID " and resid 673 and name HB )) (( segid "HID " and resid 673 and name HN )) 3.700 1.700 1.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.80992E-03 ppm1 6.559 ppm2 1.804 CV 1 ASSI { 693} (( segid "HID " and resid 673 and name HG12)) (( segid "HID " and resid 673 and name HN )) 2.600 0.900 0.900 peak 693 spectrum 1 weight 0.10000E+01 volume 0.16711E-02 ppm1 6.554 ppm2 1.318 CV 1 ASSI { 694} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 673 and name HN )) 2.900 1.100 1.100 peak 694 spectrum 1 weight 0.10000E+01 volume 0.20016E-02 ppm1 6.557 ppm2 1.397 CV 1 ASSI { 695} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 673 and name HN )) 3.100 1.200 1.200 peak 695 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 6.556 ppm2 1.205 CV 1 ASSI { 698} ( segid "HID " and resid 673 and name HD1%) (( segid "HID " and resid 673 and name HN )) 4.700 2.800 1.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 6.561 ppm2 0.677 CV 1 ASSI { 699} (( segid "HID " and resid 674 and name HA )) (( segid "HID " and resid 674 and name HN )) 3.100 1.200 1.200 peak 699 spectrum 1 weight 0.10000E+01 volume 0.10846E-02 ppm1 8.323 ppm2 4.660 CV 1 ASSI { 700} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 674 and name HN )) 3.600 1.600 1.600 peak 700 spectrum 1 weight 0.10000E+01 volume 0.10101E-02 ppm1 8.329 ppm2 4.286 CV 1 ASSI { 701} (( segid "HID " and resid 671 and name HA )) (( segid "HID " and resid 674 and name HN )) 3.000 1.200 1.200 peak 701 spectrum 1 weight 0.10000E+01 volume 0.10334E-02 ppm1 8.324 ppm2 4.138 CV 1 ASSI { 702} (( segid "HID " and resid 670 and name HA )) (( segid "HID " and resid 674 and name HN )) 4.000 2.000 2.000 peak 702 spectrum 1 weight 0.10000E+01 volume 0.62841E-03 ppm1 8.332 ppm2 4.520 CV 1 ASSI { 703} (( segid "HID " and resid 674 and name HB2 )) (( segid "HID " and resid 674 and name HN )) 2.600 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.17502E-02 ppm1 8.324 ppm2 2.539 CV 1 ASSI { 704} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 674 and name HN )) 3.600 1.600 1.600 peak 704 spectrum 1 weight 0.10000E+01 volume 0.15547E-02 ppm1 8.331 ppm2 1.684 CV 1 ASSI { 705} (( segid "HID " and resid 673 and name HG11)) (( segid "HID " and resid 674 and name HN )) 2.700 0.900 0.900 peak 705 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 8.324 ppm2 1.412 CV 1 ASSI { 706} ( segid "HID " and resid 673 and name HG2%) (( segid "HID " and resid 674 and name HN )) 4.500 2.500 1.500 peak 706 spectrum 1 weight 0.10000E+01 volume 0.58186E-03 ppm1 8.326 ppm2 1.214 CV 1 ASSI { 709} ( segid "HID " and resid 674 and name HD% ) (( segid "HID " and resid 674 and name HN )) 3.900 1.900 1.900 peak 709 spectrum 1 weight 0.10000E+01 volume 0.51204E-03 ppm1 8.324 ppm2 7.105 CV 1 ASSI { 710} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 675 and name HN )) 2.100 0.600 0.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.12335E-01 ppm1 8.233 ppm2 4.274 CV 1 ASSI { 711} (( segid "HID " and resid 674 and name HA )) (( segid "HID " and resid 675 and name HN )) 3.300 1.300 1.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.89375E-03 ppm1 8.238 ppm2 4.655 CV 1 ASSI { 712} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 675 and name HN )) 4.100 2.100 1.900 peak 712 spectrum 1 weight 0.10000E+01 volume 0.74946E-03 ppm1 8.229 ppm2 2.413 CV 1 OR { 712} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 675 and name HN )) ASSI { 713} (( segid "HID " and resid 674 and name HB2 )) (( segid "HID " and resid 675 and name HN )) 3.500 1.600 1.600 peak 713 spectrum 1 weight 0.10000E+01 volume 0.10660E-02 ppm1 8.233 ppm2 2.517 CV 1 ASSI { 714} (( segid "HID " and resid 671 and name HB1 )) (( segid "HID " and resid 675 and name HN )) 3.800 1.800 1.800 peak 714 spectrum 1 weight 0.10000E+01 volume 0.65631E-03 ppm1 8.224 ppm2 2.216 CV 1 ASSI { 716} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 675 and name HN )) 2.300 0.700 0.700 peak 716 spectrum 1 weight 0.10000E+01 volume 0.81924E-02 ppm1 8.232 ppm2 1.676 CV 1 ASSI { 719} (( segid "HID " and resid 695 and name HG11)) (( segid "HID " and resid 695 and name HN )) 2.100 0.600 0.600 peak 719 spectrum 1 weight 0.10000E+01 volume 0.36075E-02 ppm1 6.517 ppm2 1.731 CV 1 ASSI { 720} (( segid "HID " and resid 676 and name HA )) (( segid "HID " and resid 676 and name HN )) 3.000 1.200 1.200 peak 720 spectrum 1 weight 0.10000E+01 volume 0.17875E-02 ppm1 8.628 ppm2 4.537 CV 1 ASSI { 721} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 676 and name HN )) 3.400 1.500 1.500 peak 721 spectrum 1 weight 0.10000E+01 volume 0.90307E-03 ppm1 8.628 ppm2 4.274 CV 1 ASSI { 723} (( segid "HID " and resid 676 and name HB2 )) (( segid "HID " and resid 676 and name HN )) 2.600 0.800 0.800 peak 723 spectrum 1 weight 0.10000E+01 volume 0.41242E-02 ppm1 8.627 ppm2 2.850 CV 1 OR { 723} (( segid "HID " and resid 676 and name HB1 )) (( segid "HID " and resid 676 and name HN )) ASSI { 724} ( segid "HID " and resid 675 and name HB% ) (( segid "HID " and resid 676 and name HN )) 2.300 0.700 0.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.11079E-01 ppm1 8.628 ppm2 1.678 CV 1 ASSI { 728} (( segid "HID " and resid 676 and name HA )) (( segid "HID " and resid 677 and name HN )) 3.600 1.600 1.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.77736E-03 ppm1 7.913 ppm2 4.535 CV 1 ASSI { 729} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 677 and name HN )) 4.300 2.300 1.700 peak 729 spectrum 1 weight 0.10000E+01 volume 0.26766E-03 ppm1 7.918 ppm2 4.301 CV 1 ASSI { 730} (( segid "HID " and resid 677 and name HE2 )) (( segid "HID " and resid 677 and name HN )) 3.400 3.400 2.600 peak 730 spectrum 1 weight 0.10000E+01 volume 0.40916E-03 ppm1 7.907 ppm2 2.956 CV 1 OR { 730} (( segid "HID " and resid 677 and name HE1 )) (( segid "HID " and resid 677 and name HN )) ASSI { 731} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 677 and name HN )) 3.900 1.900 1.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.81924E-03 ppm1 7.913 ppm2 1.438 CV 1 ASSI { 732} ( segid "SID " and resid 216 and name HG2%) (( segid "HID " and resid 677 and name HN )) 3.600 1.600 1.600 peak 732 spectrum 1 weight 0.10000E+01 volume 0.59119E-03 ppm1 7.908 ppm2 1.060 CV 1 ASSI { 734} (( segid "HID " and resid 718 and name HA )) (( segid "HID " and resid 718 and name HN )) 2.500 0.800 0.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 8.197 ppm2 4.481 CV 1 ASSI { 735} (( segid "HID " and resid 675 and name HA )) (( segid "HID " and resid 678 and name HN )) 2.600 2.600 3.400 peak 735 spectrum 1 weight 0.10000E+01 volume 0.38356E-02 ppm1 8.202 ppm2 4.293 CV 1 ASSI { 738} (( segid "HID " and resid 678 and name HA )) (( segid "HID " and resid 678 and name HN )) 2.700 0.900 0.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.26719E-02 ppm1 8.207 ppm2 3.506 CV 1 ASSI { 739} (( segid "HID " and resid 718 and name HB1 )) (( segid "HID " and resid 718 and name HN )) 2.300 0.700 0.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.74014E-02 ppm1 8.195 ppm2 3.292 CV 1 ASSI { 740} (( segid "HID " and resid 718 and name HB2 )) (( segid "HID " and resid 718 and name HN )) 2.300 0.700 0.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.72150E-02 ppm1 8.196 ppm2 3.183 CV 1 ASSI { 742} (( segid "HID " and resid 717 and name HB )) (( segid "HID " and resid 718 and name HN )) 2.400 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.49341E-02 ppm1 8.197 ppm2 2.059 CV 1 ASSI { 743} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 718 and name HN )) 3.900 1.900 1.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.99149E-03 ppm1 8.198 ppm2 1.864 CV 1 OR { 743} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 718 and name HN )) ASSI { 746} ( segid "HID " and resid 678 and name HB% ) (( segid "HID " and resid 678 and name HN )) 2.200 0.600 0.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.98683E-02 ppm1 8.207 ppm2 1.430 CV 1 ASSI { 747} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 718 and name HN )) 3.300 1.400 1.400 peak 747 spectrum 1 weight 0.10000E+01 volume 0.16804E-02 ppm1 8.197 ppm2 0.968 CV 1 ASSI { 748} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 718 and name HN )) 3.400 1.500 1.500 peak 748 spectrum 1 weight 0.10000E+01 volume 0.27697E-02 ppm1 8.196 ppm2 0.861 CV 1 ASSI { 749} (( segid "HID " and resid 679 and name HA )) (( segid "HID " and resid 679 and name HN )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.30210E-02 ppm1 7.858 ppm2 3.950 CV 1 ASSI { 750} (( segid "HID " and resid 678 and name HA )) (( segid "HID " and resid 679 and name HN )) 3.400 1.500 1.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.84720E-03 ppm1 7.858 ppm2 3.505 CV 1 ASSI { 752} (( segid "HID " and resid 677 and name HA )) (( segid "HID " and resid 680 and name HN )) 3.100 1.200 1.200 peak 752 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 7.579 ppm2 4.701 CV 1 ASSI { 753} (( segid "HID " and resid 680 and name HA )) (( segid "HID " and resid 680 and name HN )) 2.600 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.47945E-02 ppm1 7.576 ppm2 4.346 CV 1 ASSI { 754} (( segid "HID " and resid 679 and name HA )) (( segid "HID " and resid 680 and name HN )) 3.400 1.400 1.400 peak 754 spectrum 1 weight 0.10000E+01 volume 0.10986E-02 ppm1 7.574 ppm2 3.950 CV 1 ASSI { 756} (( segid "HID " and resid 680 and name HB1 )) (( segid "HID " and resid 680 and name HN )) 2.600 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.60977E-02 ppm1 7.577 ppm2 2.687 CV 1 ASSI { 757} (( segid "HID " and resid 680 and name HB2 )) (( segid "HID " and resid 680 and name HN )) 2.400 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.46548E-02 ppm1 7.576 ppm2 2.382 CV 1 ASSI { 759} ( segid "HID " and resid 679 and name HB% ) (( segid "HID " and resid 680 and name HN )) 2.500 0.800 0.800 peak 759 spectrum 1 weight 0.10000E+01 volume 0.65165E-02 ppm1 7.576 ppm2 1.452 CV 1 ASSI { 761} (( segid "HID " and resid 677 and name HD1 )) (( segid "HID " and resid 680 and name HN )) 3.500 1.500 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.75872E-03 ppm1 7.581 ppm2 1.683 CV 1 OR { 761} (( segid "HID " and resid 677 and name HD2 )) (( segid "HID " and resid 680 and name HN )) OR { 761} (( segid "HID " and resid 677 and name HG1 )) (( segid "HID " and resid 680 and name HN )) ASSI { 762} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 680 and name HN )) 5.000 3.200 1.000 peak 762 spectrum 1 weight 0.10000E+01 volume 0.45851E-03 ppm1 7.578 ppm2 1.052 CV 1 ASSI { 763} ( segid "SID " and resid 220 and name HD1%) (( segid "HID " and resid 680 and name HN )) 3.700 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10939E-02 ppm1 7.574 ppm2 0.797 CV 1 ASSI { 764} ( segid "SID " and resid 220 and name HD2%) (( segid "HID " and resid 680 and name HN )) 3.900 1.900 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.88908E-03 ppm1 7.578 ppm2 0.907 CV 1 ASSI { 765} ( segid "HID " and resid 681 and name HD1%) (( segid "HID " and resid 680 and name HN )) 3.400 1.500 1.500 peak 765 spectrum 1 weight 0.10000E+01 volume 0.35517E-03 ppm1 7.580 ppm2 0.187 CV 1 ASSI { 766} (( segid "HID " and resid 695 and name HG12)) (( segid "HID " and resid 695 and name HN )) 3.600 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 6.519 ppm2 1.329 CV 1 ASSI { 768} (( segid "HID " and resid 680 and name HB1 )) (( segid "HID " and resid 681 and name HN )) 3.600 1.600 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.50738E-03 ppm1 7.410 ppm2 2.695 CV 1 ASSI { 769} (( segid "HID " and resid 681 and name HB )) (( segid "HID " and resid 681 and name HN )) 2.800 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.18573E-02 ppm1 7.406 ppm2 1.767 CV 1 ASSI { 771} (( segid "HID " and resid 681 and name HG11)) (( segid "HID " and resid 681 and name HN )) 4.000 2.000 2.000 peak 771 spectrum 1 weight 0.10000E+01 volume 0.15454E-02 ppm1 7.403 ppm2 1.040 CV 1 ASSI { 773} ( segid "HID " and resid 681 and name HG2%) (( segid "HID " and resid 681 and name HN )) 4.300 2.300 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.75412E-03 ppm1 7.399 ppm2 0.500 CV 1 ASSI { 774} ( segid "HID " and resid 681 and name HD1%) (( segid "HID " and resid 681 and name HN )) 4.000 2.000 2.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.72150E-03 ppm1 7.399 ppm2 0.184 CV 1 ASSI { 778} ( segid "HID " and resid 695 and name HD1%) (( segid "HID " and resid 695 and name HN )) 3.100 1.200 1.200 peak 778 spectrum 1 weight 0.10000E+01 volume 0.58651E-02 ppm1 6.517 ppm2 0.880 CV 1 OR { 778} ( segid "HID " and resid 695 and name HG2%) (( segid "HID " and resid 695 and name HN )) ASSI { 781} (( segid "HID " and resid 683 and name HB2 )) (( segid "HID " and resid 683 and name HN )) 2.500 0.800 0.800 peak 781 spectrum 1 weight 0.10000E+01 volume 0.56324E-02 ppm1 7.757 ppm2 2.627 CV 1 ASSI { 782} (( segid "HID " and resid 717 and name HB )) (( segid "HID " and resid 717 and name HN )) 2.200 0.600 0.600 peak 782 spectrum 1 weight 0.10000E+01 volume 0.74014E-02 ppm1 7.765 ppm2 2.058 CV 1 ASSI { 786} (( segid "HID " and resid 716 and name HG2 )) (( segid "HID " and resid 717 and name HN )) 3.900 1.900 1.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.10706E-02 ppm1 7.765 ppm2 1.381 CV 1 ASSI { 787} ( segid "HID " and resid 717 and name HG1%) (( segid "HID " and resid 717 and name HN )) 2.900 1.100 1.100 peak 787 spectrum 1 weight 0.10000E+01 volume 0.82390E-02 ppm1 7.766 ppm2 0.968 CV 1 ASSI { 788} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 717 and name HN )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.26393E-02 ppm1 7.763 ppm2 0.860 CV 1 ASSI { 789} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 683 and name HN )) 2.400 0.700 0.700 peak 789 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 7.757 ppm2 4.393 CV 1 ASSI { 791} (( segid "HID " and resid 683 and name HB1 )) (( segid "HID " and resid 683 and name HN )) 2.200 0.600 0.600 peak 791 spectrum 1 weight 0.10000E+01 volume 0.99615E-02 ppm1 7.757 ppm2 2.760 CV 1 ASSI { 792} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 684 and name HN )) 3.300 1.300 1.300 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12661E-02 ppm1 7.805 ppm2 4.386 CV 1 ASSI { 793} (( segid "HID " and resid 694 and name HD2 )) (( segid "HID " and resid 695 and name HN )) 3.200 1.300 1.300 peak 793 spectrum 1 weight 0.10000E+01 volume 0.59585E-03 ppm1 6.524 ppm2 3.438 CV 1 ASSI { 794} (( segid "HID " and resid 694 and name HD1 )) (( segid "HID " and resid 695 and name HN )) 3.500 1.500 1.500 peak 794 spectrum 1 weight 0.10000E+01 volume 0.14151E-02 ppm1 6.515 ppm2 3.566 CV 1 ASSI { 795} (( segid "HID " and resid 687 and name HE2 )) (( segid "HID " and resid 684 and name HN )) 3.200 3.200 2.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.54462E-03 ppm1 7.810 ppm2 3.001 CV 1 OR { 795} (( segid "HID " and resid 687 and name HE1 )) (( segid "HID " and resid 684 and name HN )) ASSI { 796} (( segid "HID " and resid 683 and name HB1 )) (( segid "HID " and resid 684 and name HN )) 3.000 1.100 1.100 peak 796 spectrum 1 weight 0.10000E+01 volume 0.14430E-02 ppm1 7.802 ppm2 2.758 CV 1 ASSI { 797} (( segid "HID " and resid 683 and name HB2 )) (( segid "HID " and resid 684 and name HN )) 3.700 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.18154E-02 ppm1 7.803 ppm2 2.629 CV 1 ASSI { 798} ( segid "SID " and resid 223 and name HD1%) (( segid "HID " and resid 684 and name HN )) 3.500 1.500 1.500 peak 798 spectrum 1 weight 0.10000E+01 volume 0.99615E-03 ppm1 7.805 ppm2 0.794 CV 1 OR { 798} ( segid "SID " and resid 223 and name HD2%) (( segid "HID " and resid 684 and name HN )) ASSI { 799} ( segid "HID " and resid 682 and name HG2%) (( segid "HID " and resid 684 and name HN )) 3.700 1.800 1.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.81458E-03 ppm1 7.801 ppm2 0.895 CV 1 OR { 799} (( segid "HID " and resid 682 and name HG12)) (( segid "HID " and resid 684 and name HN )) ASSI { 801} (( segid "HID " and resid 695 and name HA )) (( segid "HID " and resid 695 and name HN )) 2.700 0.900 0.900 peak 801 spectrum 1 weight 0.10000E+01 volume 0.28115E-02 ppm1 6.518 ppm2 3.776 CV 1 ASSI { 802} (( segid "HID " and resid 685 and name HA )) (( segid "HID " and resid 685 and name HN )) 2.900 1.000 1.000 peak 802 spectrum 1 weight 0.10000E+01 volume 0.17409E-02 ppm1 8.463 ppm2 3.694 CV 1 ASSI { 803} (( segid "HID " and resid 692 and name HA )) (( segid "HID " and resid 695 and name HN )) 3.400 1.500 1.500 peak 803 spectrum 1 weight 0.10000E+01 volume 0.89375E-03 ppm1 6.519 ppm2 4.049 CV 1 ASSI { 804} (( segid "HID " and resid 685 and name HB1 )) (( segid "HID " and resid 685 and name HN )) 3.400 1.400 1.400 peak 804 spectrum 1 weight 0.10000E+01 volume 0.28674E-02 ppm1 8.461 ppm2 2.051 CV 1 ASSI { 806} (( segid "HID " and resid 685 and name HG )) (( segid "HID " and resid 685 and name HN )) 2.400 0.700 0.700 peak 806 spectrum 1 weight 0.10000E+01 volume 0.35144E-02 ppm1 8.461 ppm2 1.601 CV 1 ASSI { 807} (( segid "HID " and resid 685 and name HB2 )) (( segid "HID " and resid 685 and name HN )) 2.500 0.800 0.800 peak 807 spectrum 1 weight 0.10000E+01 volume 0.32025E-02 ppm1 8.460 ppm2 1.236 CV 1 ASSI { 809} ( segid "HID " and resid 685 and name HD1%) (( segid "HID " and resid 685 and name HN )) 3.300 1.300 1.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.33422E-02 ppm1 8.461 ppm2 0.800 CV 1 ASSI { 810} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 685 and name HN )) 3.400 1.400 1.400 peak 810 spectrum 1 weight 0.10000E+01 volume 0.23973E-02 ppm1 8.464 ppm2 0.723 CV 1 ASSI { 811} ( segid "HID " and resid 681 and name HG2%) (( segid "HID " and resid 685 and name HN )) 4.000 2.000 2.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.49341E-03 ppm1 8.462 ppm2 0.498 CV 1 ASSI { 812} ( segid "HID " and resid 681 and name HG2%) (( segid "HID " and resid 684 and name HN )) 4.100 2.100 1.900 peak 812 spectrum 1 weight 0.10000E+01 volume 0.39194E-03 ppm1 7.801 ppm2 0.492 CV 1 ASSI { 813} (( segid "HID " and resid 683 and name HA )) (( segid "HID " and resid 686 and name HN )) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.91699E-03 ppm1 7.766 ppm2 4.404 CV 1 ASSI { 814} (( segid "HID " and resid 686 and name HA )) (( segid "HID " and resid 686 and name HN )) 3.000 1.100 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 7.766 ppm2 3.976 CV 1 ASSI { 815} (( segid "HID " and resid 685 and name HA )) (( segid "HID " and resid 686 and name HN )) 3.500 1.500 1.500 peak 815 spectrum 1 weight 0.10000E+01 volume 0.61443E-03 ppm1 7.766 ppm2 3.702 CV 1 ASSI { 817} (( segid "HID " and resid 686 and name HD1 )) (( segid "HID " and resid 686 and name HN )) 3.900 1.900 1.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.58651E-03 ppm1 7.770 ppm2 3.161 CV 1 OR { 817} (( segid "HID " and resid 686 and name HD2 )) (( segid "HID " and resid 686 and name HN )) ASSI { 818} (( segid "HID " and resid 685 and name HB1 )) (( segid "HID " and resid 686 and name HN )) 3.200 1.300 1.300 peak 818 spectrum 1 weight 0.10000E+01 volume 0.22995E-02 ppm1 7.764 ppm2 2.042 CV 1 ASSI { 819} (( segid "HID " and resid 686 and name HB1 )) (( segid "HID " and resid 686 and name HN )) 2.200 0.600 0.600 peak 819 spectrum 1 weight 0.10000E+01 volume 0.86112E-02 ppm1 7.766 ppm2 1.891 CV 1 OR { 819} (( segid "HID " and resid 686 and name HB2 )) (( segid "HID " and resid 686 and name HN )) ASSI { 821} (( segid "HID " and resid 686 and name HG2 )) (( segid "HID " and resid 686 and name HN )) 3.500 1.500 1.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.17782E-02 ppm1 7.764 ppm2 1.433 CV 1 ASSI { 822} (( segid "HID " and resid 685 and name HB2 )) (( segid "HID " and resid 686 and name HN )) 2.800 1.000 1.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.17922E-02 ppm1 7.767 ppm2 1.233 CV 1 ASSI { 825} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 686 and name HN )) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 7.766 ppm2 0.710 CV 1 ASSI { 826} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 687 and name HN )) 2.900 1.100 1.100 peak 826 spectrum 1 weight 0.10000E+01 volume 0.19876E-02 ppm1 8.068 ppm2 4.214 CV 1 ASSI { 828} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 687 and name HN )) 2.300 0.700 0.700 peak 828 spectrum 1 weight 0.10000E+01 volume 0.77736E-02 ppm1 8.068 ppm2 1.839 CV 1 OR { 828} (( segid "HID " and resid 687 and name HB2 )) (( segid "HID " and resid 687 and name HN )) ASSI { 829} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 687 and name HN )) 3.700 1.700 1.700 peak 829 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 8.065 ppm2 1.551 CV 1 ASSI { 830} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 687 and name HN )) 3.600 1.600 1.600 peak 830 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 8.069 ppm2 1.427 CV 1 ASSI { 832} (( segid "HID " and resid 688 and name HD21)) (( segid "HID " and resid 688 and name HN )) 3.800 1.800 1.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.75412E-03 ppm1 8.440 ppm2 7.696 CV 1 ASSI { 833} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 688 and name HN )) 2.600 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.34586E-02 ppm1 8.437 ppm2 5.343 CV 1 ASSI { 835} (( segid "HID " and resid 687 and name HA )) (( segid "HID " and resid 688 and name HN )) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.21366E-02 ppm1 8.439 ppm2 4.210 CV 1 ASSI { 837} (( segid "HID " and resid 689 and name HD2 )) (( segid "HID " and resid 688 and name HN )) 3.100 1.200 1.200 peak 837 spectrum 1 weight 0.10000E+01 volume 0.35563E-02 ppm1 8.435 ppm2 3.631 CV 1 ASSI { 838} (( segid "HID " and resid 684 and name HA2 )) (( segid "HID " and resid 688 and name HN )) 2.900 1.100 1.100 peak 838 spectrum 1 weight 0.10000E+01 volume 0.14756E-02 ppm1 8.434 ppm2 3.493 CV 1 ASSI { 839} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 688 and name HN )) 3.200 1.200 1.200 peak 839 spectrum 1 weight 0.10000E+01 volume 0.31839E-02 ppm1 8.438 ppm2 3.025 CV 1 ASSI { 840} (( segid "HID " and resid 688 and name HB2 )) (( segid "HID " and resid 688 and name HN )) 2.500 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 8.437 ppm2 2.526 CV 1 ASSI { 841} (( segid "HID " and resid 687 and name HB2 )) (( segid "HID " and resid 688 and name HN )) 2.400 0.700 0.700 peak 841 spectrum 1 weight 0.10000E+01 volume 0.56789E-02 ppm1 8.437 ppm2 1.828 CV 1 OR { 841} (( segid "HID " and resid 687 and name HB1 )) (( segid "HID " and resid 688 and name HN )) ASSI { 842} (( segid "HID " and resid 687 and name HG2 )) (( segid "HID " and resid 688 and name HN )) 3.800 1.800 1.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 8.435 ppm2 1.427 CV 1 ASSI { 843} (( segid "HID " and resid 687 and name HG1 )) (( segid "HID " and resid 688 and name HN )) 3.900 1.900 1.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11404E-02 ppm1 8.439 ppm2 1.553 CV 1 ASSI { 845} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 688 and name HN )) 3.100 1.200 1.200 peak 845 spectrum 1 weight 0.10000E+01 volume 0.14244E-02 ppm1 8.437 ppm2 1.244 CV 1 ASSI { 847} (( segid "HID " and resid 689 and name HG2 )) (( segid "HID " and resid 688 and name HN )) 4.100 2.100 1.900 peak 847 spectrum 1 weight 0.10000E+01 volume 0.87510E-03 ppm1 8.443 ppm2 2.000 CV 1 ASSI { 848} (( segid "HID " and resid 694 and name HA )) (( segid "HID " and resid 695 and name HN )) 3.500 1.500 1.500 peak 848 spectrum 1 weight 0.10000E+01 volume 0.79600E-03 ppm1 6.518 ppm2 4.206 CV 1 ASSI { 852} (( segid "HID " and resid 690 and name HB2 )) (( segid "HID " and resid 690 and name HN )) 2.600 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.34632E-02 ppm1 8.733 ppm2 3.813 CV 1 ASSI { 853} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 690 and name HN )) 4.200 2.200 1.800 peak 853 spectrum 1 weight 0.10000E+01 volume 0.48876E-03 ppm1 8.738 ppm2 4.189 CV 1 ASSI { 854} (( segid "HID " and resid 689 and name HD2 )) (( segid "HID " and resid 690 and name HN )) 3.100 1.200 1.200 peak 854 spectrum 1 weight 0.10000E+01 volume 0.95893E-03 ppm1 8.728 ppm2 3.648 CV 1 ASSI { 855} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 690 and name HN )) 3.900 1.900 1.900 peak 855 spectrum 1 weight 0.10000E+01 volume 0.40311E-03 ppm1 8.726 ppm2 3.029 CV 1 ASSI { 856} (( segid "HID " and resid 689 and name HB1 )) (( segid "HID " and resid 690 and name HN )) 4.500 2.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.51204E-03 ppm1 8.735 ppm2 2.861 CV 1 ASSI { 857} (( segid "HID " and resid 689 and name HG1 )) (( segid "HID " and resid 690 and name HN )) 3.800 1.800 1.800 peak 857 spectrum 1 weight 0.10000E+01 volume 0.22902E-02 ppm1 8.732 ppm2 2.157 CV 1 ASSI { 858} (( segid "HID " and resid 689 and name HG2 )) (( segid "HID " and resid 690 and name HN )) 2.800 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.11404E-02 ppm1 8.731 ppm2 2.020 CV 1 ASSI { 859} (( segid "HID " and resid 689 and name HB2 )) (( segid "HID " and resid 690 and name HN )) 3.100 1.200 1.200 peak 859 spectrum 1 weight 0.10000E+01 volume 0.15547E-02 ppm1 8.730 ppm2 1.791 CV 1 ASSI { 860} ( segid "HID " and resid 641 and name HD2%) (( segid "HID " and resid 690 and name HN )) 4.000 2.000 2.000 peak 860 spectrum 1 weight 0.10000E+01 volume 0.60977E-03 ppm1 8.738 ppm2 0.453 CV 1 ASSI { 861} ( segid "HID " and resid 641 and name HD1%) (( segid "HID " and resid 690 and name HN )) 3.800 1.800 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.69825E-03 ppm1 8.733 ppm2 0.617 CV 1 ASSI { 863} (( segid "HID " and resid 691 and name HA )) (( segid "HID " and resid 691 and name HN )) 2.700 0.900 0.900 peak 863 spectrum 1 weight 0.10000E+01 volume 0.25555E-02 ppm1 6.974 ppm2 4.204 CV 1 ASSI { 866} (( segid "HID " and resid 690 and name HB2 )) (( segid "HID " and resid 691 and name HN )) 4.000 2.000 2.000 peak 866 spectrum 1 weight 0.10000E+01 volume 0.40916E-03 ppm1 6.967 ppm2 3.813 CV 1 ASSI { 867} (( segid "HID " and resid 688 and name HB1 )) (( segid "HID " and resid 691 and name HN )) 3.300 1.400 1.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 6.975 ppm2 3.018 CV 1 ASSI { 868} (( segid "HID " and resid 691 and name HB )) (( segid "HID " and resid 691 and name HN )) 2.300 0.700 0.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.54927E-02 ppm1 6.973 ppm2 1.785 CV 1 ASSI { 869} (( segid "HID " and resid 691 and name HG11)) (( segid "HID " and resid 691 and name HN )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 6.972 ppm2 1.518 CV 1 ASSI { 870} (( segid "HID " and resid 691 and name HG12)) (( segid "HID " and resid 691 and name HN )) 3.000 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.26858E-02 ppm1 6.973 ppm2 1.325 CV 1 ASSI { 871} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 691 and name HN )) 3.500 1.600 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.28674E-02 ppm1 6.974 ppm2 1.245 CV 1 ASSI { 877} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 693 and name HN )) 3.300 1.400 1.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.69359E-03 ppm1 9.090 ppm2 4.398 CV 1 ASSI { 878} (( segid "HID " and resid 694 and name HD2 )) (( segid "HID " and resid 693 and name HN )) 2.400 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.29885E-02 ppm1 9.092 ppm2 3.432 CV 1 ASSI { 879} (( segid "HID " and resid 693 and name HB )) (( segid "HID " and resid 693 and name HN )) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.37146E-02 ppm1 9.093 ppm2 2.400 CV 1 ASSI { 881} ( segid "HID " and resid 692 and name HB% ) (( segid "HID " and resid 693 and name HN )) 2.800 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.18434E-02 ppm1 9.096 ppm2 1.239 CV 1 ASSI { 882} ( segid "HID " and resid 693 and name HG1%) (( segid "HID " and resid 693 and name HN )) 3.100 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.42033E-02 ppm1 9.094 ppm2 1.024 CV 1 ASSI { 883} ( segid "HID " and resid 693 and name HG2%) (( segid "HID " and resid 693 and name HN )) 2.600 0.800 0.800 peak 883 spectrum 1 weight 0.10000E+01 volume 0.25834E-02 ppm1 9.096 ppm2 0.849 CV 1 ASSI { 884} ( segid "HID " and resid 685 and name HD2%) (( segid "HID " and resid 693 and name HN )) 3.300 1.300 1.300 peak 884 spectrum 1 weight 0.10000E+01 volume 0.95893E-03 ppm1 9.093 ppm2 0.724 CV 1 ASSI { 885} ( segid "HID " and resid 717 and name HG2%) (( segid "HID " and resid 721 and name HE21)) 5.200 3.400 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.12894E-03 ppm1 7.401 ppm2 0.865 CV 1 ASSI { 886} ( segid "SID " and resid 210 and name HD2%) (( segid "HID " and resid 675 and name HN )) 3.100 1.200 1.200 peak 886 spectrum 1 weight 0.10000E+01 volume 0.17502E-02 ppm1 8.235 ppm2 0.928 CV 1 ASSI { 888} (( segid "SID " and resid 209 and name HA )) (( segid "HID " and resid 707 and name HE1 )) 3.100 1.200 1.200 peak 888 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 9.793 ppm2 4.526 CV 1 ASSI { 889} (( segid "HID " and resid 607 and name HA )) (( segid "HID " and resid 607 and name HN )) 2.900 1.100 1.100 peak 889 spectrum 1 weight 0.10000E+01 volume 0.23181E-02 ppm1 8.335 ppm2 4.269 CV 1 ASSI { 893} (( segid "HID " and resid 615 and name HN )) (( segid "HID " and resid 614 and name HN )) 3.300 1.400 1.400 peak 893 spectrum 1 weight 0.10000E+01 volume 0.88442E-03 ppm1 8.702 ppm2 8.121 CV 1 ASSI { 895} (( segid "HID " and resid 615 and name HN )) (( segid "HID " and resid 616 and name HN )) 2.700 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.30443E-02 ppm1 8.375 ppm2 8.114 CV 1 ASSI { 896} (( segid "HID " and resid 616 and name HB1 )) (( segid "HID " and resid 616 and name HN )) 2.300 0.700 0.700 peak 896 spectrum 1 weight 0.10000E+01 volume 0.72150E-02 ppm1 8.377 ppm2 1.980 CV 1 ASSI { 897} (( segid "HID " and resid 616 and name HB2 )) (( segid "HID " and resid 616 and name HN )) 2.500 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.54927E-02 ppm1 8.377 ppm2 1.922 CV 1 ASSI { 898} (( segid "HID " and resid 616 and name HG2 )) (( segid "HID " and resid 616 and name HN )) 3.200 1.200 1.200 peak 898 spectrum 1 weight 0.10000E+01 volume 0.46548E-02 ppm1 8.375 ppm2 2.228 CV 1 OR { 898} (( segid "HID " and resid 616 and name HG1 )) (( segid "HID " and resid 616 and name HN )) ASSI { 899} (( segid "HID " and resid 617 and name HN )) (( segid "HID " and resid 616 and name HN )) 2.500 0.800 0.800 peak 899 spectrum 1 weight 0.10000E+01 volume 0.37192E-02 ppm1 8.376 ppm2 8.007 CV 1 ASSI { 901} ( segid "HID " and resid 618 and name HD% ) (( segid "HID " and resid 618 and name HN )) 4.500 2.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.42825E-03 ppm1 7.994 ppm2 7.238 CV 1 ASSI { 902} (( segid "HID " and resid 618 and name HN )) (( segid "HID " and resid 619 and name HN )) 2.300 0.700 0.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.67029E-02 ppm1 8.128 ppm2 8.012 CV 1 ASSI { 903} (( segid "HID " and resid 619 and name HG2 )) (( segid "HID " and resid 619 and name HN )) 3.500 1.500 1.500 peak 903 spectrum 1 weight 0.10000E+01 volume 0.27464E-02 ppm1 8.126 ppm2 2.173 CV 1 OR { 903} (( segid "HID " and resid 619 and name HG1 )) (( segid "HID " and resid 619 and name HN )) ASSI { 904} (( segid "HID " and resid 620 and name HN )) (( segid "HID " and resid 619 and name HN )) 3.000 1.100 1.100 peak 904 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 8.123 ppm2 7.823 CV 1 ASSI { 907} (( segid "HID " and resid 621 and name HN )) (( segid "HID " and resid 622 and name HN )) 2.600 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.31606E-02 ppm1 7.530 ppm2 7.810 CV 1 ASSI { 909} (( segid "HID " and resid 622 and name HN )) (( segid "HID " and resid 623 and name HN )) 2.600 0.900 0.900 peak 909 spectrum 1 weight 0.10000E+01 volume 0.28162E-02 ppm1 8.170 ppm2 7.531 CV 1 ASSI { 910} (( segid "HID " and resid 624 and name HN )) (( segid "HID " and resid 623 and name HN )) 2.800 1.000 1.000 peak 910 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 8.168 ppm2 8.564 CV 1 ASSI { 912} (( segid "HID " and resid 624 and name HN )) (( segid "HID " and resid 625 and name HN )) 2.800 1.000 1.000 peak 912 spectrum 1 weight 0.10000E+01 volume 0.18666E-02 ppm1 8.157 ppm2 8.562 CV 1 ASSI { 914} (( segid "HID " and resid 625 and name HN )) (( segid "HID " and resid 626 and name HN )) 2.500 0.800 0.800 peak 914 spectrum 1 weight 0.10000E+01 volume 0.44454E-02 ppm1 8.395 ppm2 8.161 CV 1 ASSI { 915} (( segid "HID " and resid 628 and name HN )) (( segid "HID " and resid 629 and name HN )) 3.100 1.200 1.200 peak 915 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.048 ppm2 8.397 CV 1 ASSI { 918} (( segid "HID " and resid 629 and name HN )) (( segid "HID " and resid 630 and name HN )) 2.900 1.100 1.100 peak 918 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 7.652 ppm2 8.053 CV 1 ASSI { 919} (( segid "HID " and resid 631 and name HN )) (( segid "HID " and resid 630 and name HN )) 2.800 1.000 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 7.652 ppm2 8.549 CV 1 ASSI { 922} (( segid "HID " and resid 631 and name HN )) (( segid "HID " and resid 632 and name HN )) 2.500 0.800 0.800 peak 922 spectrum 1 weight 0.10000E+01 volume 0.38124E-02 ppm1 8.399 ppm2 8.548 CV 1 ASSI { 923} (( segid "HID " and resid 632 and name HB1 )) (( segid "HID " and resid 632 and name HN )) 3.100 1.200 1.200 peak 923 spectrum 1 weight 0.10000E+01 volume 0.45618E-02 ppm1 8.400 ppm2 1.999 CV 1 ASSI { 924} (( segid "HID " and resid 632 and name HD1 )) (( segid "HID " and resid 632 and name HN )) 4.500 2.500 1.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.42499E-03 ppm1 8.399 ppm2 3.265 CV 1 ASSI { 925} (( segid "HID " and resid 632 and name HD2 )) (( segid "HID " and resid 632 and name HN )) 4.500 2.500 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.43151E-03 ppm1 8.399 ppm2 3.167 CV 1 ASSI { 926} (( segid "HID " and resid 632 and name HG1 )) (( segid "HID " and resid 632 and name HN )) 2.200 0.600 0.600 peak 926 spectrum 1 weight 0.10000E+01 volume 0.67961E-02 ppm1 8.398 ppm2 1.887 CV 1 OR { 926} (( segid "HID " and resid 632 and name HB2 )) (( segid "HID " and resid 632 and name HN )) ASSI { 927} (( segid "HID " and resid 632 and name HG2 )) (( segid "HID " and resid 632 and name HN )) 2.900 1.100 1.100 peak 927 spectrum 1 weight 0.10000E+01 volume 0.31886E-02 ppm1 8.397 ppm2 1.736 CV 1 ASSI { 928} (( segid "HID " and resid 633 and name HN )) (( segid "HID " and resid 632 and name HN )) 2.800 1.000 1.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.20249E-02 ppm1 8.402 ppm2 7.476 CV 1 ASSI { 931} (( segid "HID " and resid 633 and name HN )) (( segid "HID " and resid 634 and name HN )) 2.600 0.900 0.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.34772E-02 ppm1 8.177 ppm2 7.477 CV 1 ASSI { 932} (( segid "HID " and resid 635 and name HN )) (( segid "HID " and resid 634 and name HN )) 2.800 0.900 0.900 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 8.173 ppm2 9.348 CV 1 ASSI { 935} (( segid "HID " and resid 634 and name HN )) (( segid "HID " and resid 636 and name HN )) 4.300 2.300 1.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.26766E-03 ppm1 7.623 ppm2 8.167 CV 1 ASSI { 936} (( segid "HID " and resid 635 and name HN )) (( segid "HID " and resid 636 and name HN )) 2.600 0.800 0.800 peak 936 spectrum 1 weight 0.10000E+01 volume 0.33003E-02 ppm1 7.620 ppm2 9.345 CV 1 ASSI { 937} (( segid "HID " and resid 637 and name HN )) (( segid "HID " and resid 636 and name HN )) 2.400 0.700 0.700 peak 937 spectrum 1 weight 0.10000E+01 volume 0.57720E-02 ppm1 7.621 ppm2 7.845 CV 1 ASSI { 938} (( segid "HID " and resid 638 and name HN )) (( segid "HID " and resid 636 and name HN )) 3.600 1.600 1.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.68893E-03 ppm1 7.620 ppm2 8.675 CV 1 ASSI { 939} (( segid "HID " and resid 639 and name HN )) (( segid "HID " and resid 636 and name HN )) 4.300 2.300 1.700 peak 939 spectrum 1 weight 0.10000E+01 volume 0.23274E-03 ppm1 7.620 ppm2 8.009 CV 1 ASSI { 942} (( segid "HID " and resid 637 and name HN )) (( segid "HID " and resid 638 and name HN )) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21645E-02 ppm1 8.666 ppm2 7.848 CV 1 ASSI { 943} (( segid "HID " and resid 639 and name HN )) (( segid "HID " and resid 638 and name HN )) 2.900 1.100 1.100 peak 943 spectrum 1 weight 0.10000E+01 volume 0.16013E-02 ppm1 8.671 ppm2 8.013 CV 1 ASSI { 946} (( segid "HID " and resid 639 and name HG1 )) (( segid "HID " and resid 639 and name HN )) 3.400 1.400 1.400 peak 946 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 8.001 ppm2 1.561 CV 1 OR { 946} (( segid "HID " and resid 639 and name HD2 )) (( segid "HID " and resid 639 and name HN )) ASSI { 947} (( segid "HID " and resid 639 and name HB2 )) (( segid "HID " and resid 639 and name HN )) 2.200 0.600 0.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.94961E-02 ppm1 8.003 ppm2 1.900 CV 1 OR { 947} (( segid "HID " and resid 639 and name HB1 )) (( segid "HID " and resid 639 and name HN )) ASSI { 948} (( segid "HID " and resid 640 and name HN )) (( segid "HID " and resid 639 and name HN )) 2.700 0.900 0.900 peak 948 spectrum 1 weight 0.10000E+01 volume 0.24159E-02 ppm1 8.005 ppm2 7.501 CV 1 ASSI { 949} (( segid "HID " and resid 641 and name HN )) (( segid "HID " and resid 639 and name HN )) 3.600 1.600 1.600 peak 949 spectrum 1 weight 0.10000E+01 volume 0.89841E-03 ppm1 7.993 ppm2 8.401 CV 1 ASSI { 950} (( segid "HID " and resid 638 and name HN )) (( segid "HID " and resid 640 and name HN )) 4.700 2.800 1.300 peak 950 spectrum 1 weight 0.10000E+01 volume 0.16478E-03 ppm1 7.496 ppm2 8.673 CV 1 ASSI { 953} (( segid "HID " and resid 640 and name HN )) (( segid "HID " and resid 641 and name HN )) 2.400 0.700 0.700 peak 953 spectrum 1 weight 0.10000E+01 volume 0.46083E-02 ppm1 8.382 ppm2 7.498 CV 1 ASSI { 955} (( segid "HID " and resid 640 and name HN )) (( segid "HID " and resid 642 and name HN )) 3.700 1.700 1.700 peak 955 spectrum 1 weight 0.10000E+01 volume 0.75872E-03 ppm1 7.872 ppm2 7.467 CV 1 ASSI { 956} (( segid "HID " and resid 641 and name HN )) (( segid "HID " and resid 642 and name HN )) 2.900 1.000 1.000 peak 956 spectrum 1 weight 0.10000E+01 volume 0.20435E-02 ppm1 7.866 ppm2 8.397 CV 1 ASSI { 959} (( segid "HID " and resid 642 and name HN )) (( segid "HID " and resid 643 and name HN )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.28348E-02 ppm1 7.108 ppm2 7.879 CV 1 ASSI { 960} (( segid "HID " and resid 644 and name HN )) (( segid "HID " and resid 643 and name HN )) 2.500 0.800 0.800 peak 960 spectrum 1 weight 0.10000E+01 volume 0.66097E-02 ppm1 7.108 ppm2 7.451 CV 1 ASSI { 963} (( segid "HID " and resid 644 and name HN )) (( segid "HID " and resid 645 and name HN )) 4.000 2.000 2.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.78202E-03 ppm1 8.840 ppm2 7.454 CV 1 ASSI { 965} (( segid "HID " and resid 647 and name HN )) (( segid "HID " and resid 646 and name HN )) 3.500 1.500 1.500 peak 965 spectrum 1 weight 0.10000E+01 volume 0.70752E-03 ppm1 9.020 ppm2 8.809 CV 1 ASSI { 970} (( segid "HID " and resid 649 and name HN )) (( segid "HID " and resid 648 and name HN )) 2.400 0.700 0.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.43197E-02 ppm1 7.609 ppm2 9.045 CV 1 ASSI { 971} (( segid "HID " and resid 650 and name HN )) (( segid "HID " and resid 648 and name HN )) 2.600 2.600 3.400 peak 971 spectrum 1 weight 0.10000E+01 volume 0.55859E-02 ppm1 7.605 ppm2 7.501 CV 1 ASSI { 974} (( segid "HID " and resid 650 and name HN )) (( segid "HID " and resid 649 and name HN )) 2.700 0.900 0.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.25090E-02 ppm1 9.035 ppm2 7.489 CV 1 ASSI { 978} (( segid "HID " and resid 650 and name HN )) (( segid "HID " and resid 651 and name HN )) 2.500 0.800 0.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.45199E-02 ppm1 7.135 ppm2 7.494 CV 1 ASSI { 979} (( segid "HID " and resid 652 and name HN )) (( segid "HID " and resid 651 and name HN )) 2.300 0.700 0.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.63773E-02 ppm1 7.136 ppm2 7.398 CV 1 ASSI { 982} (( segid "HID " and resid 652 and name HN )) (( segid "HID " and resid 653 and name HN )) 3.600 1.600 1.600 peak 982 spectrum 1 weight 0.10000E+01 volume 0.11870E-02 ppm1 7.636 ppm2 7.402 CV 1 ASSI { 983} (( segid "HID " and resid 654 and name HN )) (( segid "HID " and resid 653 and name HN )) 4.100 2.100 1.900 peak 983 spectrum 1 weight 0.10000E+01 volume 0.53531E-03 ppm1 7.634 ppm2 8.539 CV 1 ASSI { 984} (( segid "HID " and resid 655 and name HN )) (( segid "HID " and resid 654 and name HN )) 4.100 2.100 1.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.45338E-03 ppm1 8.532 ppm2 8.073 CV 1 ASSI { 986} (( segid "HID " and resid 659 and name HA2 )) (( segid "HID " and resid 660 and name HN )) 2.800 1.000 1.000 peak 986 spectrum 1 weight 0.10000E+01 volume 0.30536E-02 ppm1 8.263 ppm2 3.991 CV 1 OR { 986} (( segid "HID " and resid 659 and name HA1 )) (( segid "HID " and resid 660 and name HN )) ASSI { 988} (( segid "HID " and resid 660 and name HA1 )) (( segid "HID " and resid 660 and name HN )) 2.500 0.800 0.800 peak 988 spectrum 1 weight 0.10000E+01 volume 0.51204E-02 ppm1 8.265 ppm2 4.118 CV 1 OR { 988} (( segid "HID " and resid 660 and name HA2 )) (( segid "HID " and resid 660 and name HN )) ASSI { 989} (( segid "HID " and resid 662 and name HA )) (( segid "HID " and resid 662 and name HN )) 3.900 1.900 1.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.38961E-03 ppm1 8.154 ppm2 4.497 CV 1 ASSI { 990} (( segid "HID " and resid 663 and name HB1 )) (( segid "HID " and resid 663 and name HN )) 2.900 1.100 1.100 peak 990 spectrum 1 weight 0.10000E+01 volume 0.20109E-02 ppm1 8.289 ppm2 2.054 CV 1 OR { 990} (( segid "HID " and resid 663 and name HB2 )) (( segid "HID " and resid 663 and name HN )) ASSI { 991} (( segid "HID " and resid 663 and name HG1 )) (( segid "HID " and resid 663 and name HN )) 4.200 2.300 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.38821E-03 ppm1 8.285 ppm2 2.284 CV 1 OR { 991} (( segid "HID " and resid 663 and name HG2 )) (( segid "HID " and resid 663 and name HN )) ASSI { 992} (( segid "HID " and resid 663 and name HN )) (( segid "HID " and resid 664 and name HN )) 3.400 1.400 1.400 peak 992 spectrum 1 weight 0.10000E+01 volume 0.62375E-03 ppm1 7.822 ppm2 8.277 CV 1 ASSI { 995} (( segid "HID " and resid 666 and name HN )) (( segid "HID " and resid 665 and name HN )) 3.100 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 7.509 ppm2 7.164 CV 1 ASSI { 996} (( segid "HID " and resid 670 and name HN )) (( segid "HID " and resid 669 and name HN )) 3.000 1.100 1.100 peak 996 spectrum 1 weight 0.10000E+01 volume 0.13452E-02 ppm1 8.070 ppm2 7.896 CV 1 ASSI { 999} (( segid "HID " and resid 670 and name HB1 )) (( segid "HID " and resid 670 and name HN )) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.28441E-02 ppm1 7.871 ppm2 2.071 CV 1 OR { 999} (( segid "HID " and resid 670 and name HG )) (( segid "HID " and resid 670 and name HN )) ASSI { 1000} (( segid "HID " and resid 670 and name HB2 )) (( segid "HID " and resid 670 and name HN )) 2.900 1.000 1.000 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.12382E-02 ppm1 7.877 ppm2 1.424 CV 1 ASSI { 1001} ( segid "HID " and resid 669 and name HB% ) (( segid "HID " and resid 670 and name HN )) 3.300 1.300 1.300 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.92165E-03 ppm1 7.871 ppm2 1.666 CV 1 ASSI { 1002} ( segid "HID " and resid 670 and name HD1%) (( segid "HID " and resid 670 and name HN )) 4.200 2.200 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.56324E-03 ppm1 7.874 ppm2 0.945 CV 1 ASSI { 1003} ( segid "HID " and resid 670 and name HD2%) (( segid "HID " and resid 670 and name HN )) 3.900 1.900 1.900 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.73082E-03 ppm1 7.872 ppm2 0.821 CV 1 ASSI { 1006} (( segid "HID " and resid 670 and name HN )) (( segid "HID " and resid 671 and name HN )) 2.700 0.900 0.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.26766E-02 ppm1 9.008 ppm2 7.882 CV 1 ASSI { 1007} (( segid "HID " and resid 672 and name HN )) (( segid "HID " and resid 671 and name HN )) 2.700 0.900 0.900 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.24671E-02 ppm1 9.007 ppm2 7.744 CV 1 ASSI { 1011} (( segid "HID " and resid 673 and name HN )) (( segid "HID " and resid 672 and name HN )) 2.800 1.000 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 7.733 ppm2 6.556 CV 1 ASSI { 1014} (( segid "HID " and resid 673 and name HN )) (( segid "HID " and resid 674 and name HN )) 2.300 0.600 0.600 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.31933E-02 ppm1 8.325 ppm2 6.560 CV 1 ASSI { 1015} (( segid "HID " and resid 674 and name HB1 )) (( segid "HID " and resid 674 and name HN )) 3.500 1.500 1.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 8.327 ppm2 2.864 CV 1 ASSI { 1016} (( segid "HID " and resid 675 and name HN )) (( segid "HID " and resid 674 and name HN )) 2.200 0.600 0.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.62841E-02 ppm1 8.322 ppm2 8.229 CV 1 ASSI { 1018} (( segid "HID " and resid 675 and name HN )) (( segid "HID " and resid 676 and name HN )) 3.100 1.200 1.200 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 8.629 ppm2 8.223 CV 1 ASSI { 1019} (( segid "HID " and resid 677 and name HN )) (( segid "HID " and resid 676 and name HN )) 2.800 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.22250E-02 ppm1 8.628 ppm2 7.921 CV 1 ASSI { 1022} (( segid "HID " and resid 676 and name HN )) (( segid "HID " and resid 678 and name HN )) 3.900 1.900 1.900 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.62375E-03 ppm1 8.207 ppm2 8.635 CV 1 ASSI { 1023} (( segid "HID " and resid 677 and name HN )) (( segid "HID " and resid 678 and name HN )) 2.300 0.700 0.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.69359E-02 ppm1 8.210 ppm2 7.911 CV 1 ASSI { 1024} (( segid "HID " and resid 678 and name HN )) (( segid "HID " and resid 679 and name HN )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.32770E-02 ppm1 7.859 ppm2 8.217 CV 1 ASSI { 1026} (( segid "HID " and resid 681 and name HN )) (( segid "HID " and resid 679 and name HN )) 3.900 1.900 1.900 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.65165E-03 ppm1 7.856 ppm2 7.410 CV 1 ASSI { 1027} (( segid "HID " and resid 678 and name HN )) (( segid "HID " and resid 680 and name HN )) 4.400 2.400 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.32584E-03 ppm1 7.573 ppm2 8.196 CV 1 ASSI { 1028} (( segid "HID " and resid 679 and name HN )) (( segid "HID " and resid 680 and name HN )) 2.400 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.48876E-02 ppm1 7.576 ppm2 7.871 CV 1 ASSI { 1029} (( segid "HID " and resid 681 and name HN )) (( segid "HID " and resid 680 and name HN )) 2.200 0.600 0.600 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.64239E-02 ppm1 7.576 ppm2 7.403 CV 1 ASSI { 1030} (( segid "HID " and resid 682 and name HN )) (( segid "HID " and resid 680 and name HN )) 4.100 2.100 1.900 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.45292E-03 ppm1 7.576 ppm2 8.638 CV 1 ASSI { 1032} (( segid "HID " and resid 681 and name HG12)) (( segid "HID " and resid 681 and name HN )) 2.800 1.000 1.000 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.11079E-02 ppm1 7.408 ppm2 9.501 CV 1 ASSI { 1034} (( segid "HID " and resid 681 and name HN )) (( segid "HID " and resid 682 and name HN )) 3.300 1.300 1.300 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.68427E-03 ppm1 8.636 ppm2 7.408 CV 1 ASSI { 1036} (( segid "HID " and resid 682 and name HN )) (( segid "HID " and resid 683 and name HN )) 2.700 0.900 0.900 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.25742E-02 ppm1 7.756 ppm2 8.635 CV 1 ASSI { 1038} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 684 and name HN )) 2.500 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.35656E-02 ppm1 7.804 ppm2 3.954 CV 1 ASSI { 1040} (( segid "HID " and resid 685 and name HN )) (( segid "HID " and resid 684 and name HN )) 2.600 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.25928E-02 ppm1 7.803 ppm2 8.476 CV 1 ASSI { 1041} (( segid "HID " and resid 684 and name HA1 )) (( segid "HID " and resid 685 and name HN )) 3.100 1.200 1.200 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11544E-02 ppm1 8.460 ppm2 3.963 CV 1 ASSI { 1045} (( segid "HID " and resid 685 and name HN )) (( segid "HID " and resid 686 and name HN )) 2.600 0.900 0.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.27976E-02 ppm1 7.764 ppm2 8.472 CV 1 ASSI { 1046} (( segid "HID " and resid 687 and name HN )) (( segid "HID " and resid 686 and name HN )) 2.600 0.800 0.800 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 7.765 ppm2 8.073 CV 1 ASSI { 1050} (( segid "HID " and resid 687 and name HN )) (( segid "HID " and resid 688 and name HN )) 2.300 0.700 0.700 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.65631E-02 ppm1 8.436 ppm2 8.073 CV 1 ASSI { 1051} (( segid "HID " and resid 688 and name HA )) (( segid "HID " and resid 690 and name HN )) 3.500 1.500 1.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 8.731 ppm2 5.353 CV 1 ASSI { 1052} (( segid "HID " and resid 689 and name HA )) (( segid "HID " and resid 690 and name HN )) 3.500 1.500 1.500 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.74014E-03 ppm1 8.726 ppm2 4.398 CV 1 ASSI { 1053} (( segid "HID " and resid 690 and name HA )) (( segid "HID " and resid 690 and name HN )) 2.700 0.900 0.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.30117E-02 ppm1 8.732 ppm2 4.040 CV 1 ASSI { 1054} (( segid "HID " and resid 691 and name HN )) (( segid "HID " and resid 690 and name HN )) 2.500 0.800 0.800 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.28302E-02 ppm1 8.732 ppm2 6.979 CV 1 ASSI { 1055} (( segid "HID " and resid 692 and name HN )) (( segid "HID " and resid 690 and name HN )) 4.200 2.200 1.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.75872E-03 ppm1 8.732 ppm2 8.393 CV 1 ASSI { 1057} (( segid "HID " and resid 692 and name HN )) (( segid "HID " and resid 691 and name HN )) 2.100 0.500 0.500 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.67495E-02 ppm1 6.972 ppm2 8.385 CV 1 ASSI { 1058} (( segid "HID " and resid 693 and name HN )) (( segid "HID " and resid 691 and name HN )) 4.700 2.700 1.300 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.32957E-03 ppm1 6.972 ppm2 9.114 CV 1 ASSI { 1061} (( segid "HID " and resid 693 and name HN )) (( segid "HID " and resid 692 and name HN )) 2.600 0.900 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.18107E-02 ppm1 8.377 ppm2 9.104 CV 1 ASSI { 1065} (( segid "HID " and resid 696 and name HN )) (( segid "HID " and resid 695 and name HN )) 2.400 0.700 0.700 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.41987E-02 ppm1 6.516 ppm2 8.159 CV 1 ASSI { 1068} (( segid "HID " and resid 695 and name HN )) (( segid "HID " and resid 697 and name HN )) 3.700 1.700 1.700 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.40684E-03 ppm1 8.750 ppm2 6.522 CV 1 ASSI { 1070} (( segid "HID " and resid 698 and name HN )) (( segid "HID " and resid 697 and name HN )) 2.900 1.100 1.100 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.16851E-02 ppm1 8.753 ppm2 7.375 CV 1 ASSI { 1073} (( segid "HID " and resid 698 and name HG2 )) (( segid "HID " and resid 698 and name HN )) 3.800 1.800 1.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.53531E-03 ppm1 7.375 ppm2 1.387 CV 1 OR { 1073} (( segid "HID " and resid 698 and name HG1 )) (( segid "HID " and resid 698 and name HN )) ASSI { 1075} (( segid "HID " and resid 698 and name HN )) (( segid "HID " and resid 699 and name HN )) 2.300 0.700 0.700 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.60977E-02 ppm1 7.474 ppm2 7.364 CV 1 ASSI { 1076} (( segid "HID " and resid 699 and name HB1 )) (( segid "HID " and resid 699 and name HN )) 2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.26254E-02 ppm1 7.474 ppm2 2.294 CV 1 OR { 1076} (( segid "HID " and resid 699 and name HB2 )) (( segid "HID " and resid 699 and name HN )) ASSI { 1078} (( segid "HID " and resid 699 and name HG2 )) (( segid "HID " and resid 699 and name HN )) 2.900 1.100 1.100 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.19597E-02 ppm1 7.476 ppm2 1.681 CV 1 OR { 1078} (( segid "HID " and resid 699 and name HG1 )) (( segid "HID " and resid 699 and name HN )) ASSI { 1079} (( segid "HID " and resid 700 and name HN )) (( segid "HID " and resid 699 and name HN )) 3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.12754E-02 ppm1 7.475 ppm2 8.522 CV 1 ASSI { 1081} (( segid "HID " and resid 700 and name HB1 )) (( segid "HID " and resid 700 and name HN )) 3.400 1.400 1.400 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.12196E-02 ppm1 8.507 ppm2 1.747 CV 1 ASSI { 1083} (( segid "HID " and resid 702 and name HN )) (( segid "HID " and resid 701 and name HN )) 2.300 0.700 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.64705E-02 ppm1 8.420 ppm2 7.892 CV 1 ASSI { 1086} (( segid "HID " and resid 703 and name HB2 )) (( segid "HID " and resid 704 and name HN )) 3.400 1.400 1.400 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 7.758 ppm2 1.202 CV 1 ASSI { 1087} (( segid "HID " and resid 704 and name HB2 )) (( segid "HID " and resid 704 and name HN )) 2.600 0.800 0.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.34632E-02 ppm1 7.757 ppm2 1.890 CV 1 OR { 1087} (( segid "HID " and resid 704 and name HB1 )) (( segid "HID " and resid 704 and name HN )) ASSI { 1089} (( segid "HID " and resid 705 and name HN )) (( segid "HID " and resid 704 and name HN )) 2.900 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.17688E-02 ppm1 7.757 ppm2 7.317 CV 1 ASSI { 1091} (( segid "HID " and resid 705 and name HB1 )) (( segid "HID " and resid 705 and name HN )) 2.400 0.700 0.700 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.54927E-02 ppm1 7.311 ppm2 2.089 CV 1 OR { 1091} (( segid "HID " and resid 705 and name HB2 )) (( segid "HID " and resid 705 and name HN )) ASSI { 1093} (( segid "HID " and resid 703 and name HA )) (( segid "HID " and resid 706 and name HN )) 3.100 1.200 1.200 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 7.628 ppm2 3.397 CV 1 ASSI { 1094} (( segid "HID " and resid 705 and name HN )) (( segid "HID " and resid 706 and name HN )) 2.600 0.900 0.900 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.28814E-02 ppm1 7.625 ppm2 7.318 CV 1 ASSI { 1095} (( segid "HID " and resid 707 and name HN )) (( segid "HID " and resid 706 and name HN )) 2.600 0.900 0.900 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 7.627 ppm2 9.237 CV 1 ASSI { 1098} (( segid "HID " and resid 707 and name HB1 )) (( segid "HID " and resid 707 and name HN )) 3.900 1.900 1.900 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.13127E-02 ppm1 9.224 ppm2 3.516 CV 1 ASSI { 1099} (( segid "HID " and resid 707 and name HB2 )) (( segid "HID " and resid 707 and name HN )) 2.900 1.100 1.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 9.232 ppm2 3.078 CV 1 ASSI { 1101} (( segid "HID " and resid 706 and name HN )) (( segid "HID " and resid 708 and name HN )) 3.700 1.700 1.700 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.64239E-03 ppm1 8.980 ppm2 7.625 CV 1 ASSI { 1102} (( segid "HID " and resid 707 and name HN )) (( segid "HID " and resid 708 and name HN )) 2.800 1.000 1.000 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.19318E-02 ppm1 8.972 ppm2 9.241 CV 1 ASSI { 1103} (( segid "HID " and resid 709 and name HN )) (( segid "HID " and resid 708 and name HN )) 2.700 0.900 0.900 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.26161E-02 ppm1 8.972 ppm2 7.804 CV 1 ASSI { 1106} (( segid "HID " and resid 708 and name HN )) (( segid "HID " and resid 710 and name HN )) 4.600 2.600 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.18526E-03 ppm1 7.963 ppm2 8.970 CV 1 ASSI { 1107} (( segid "HID " and resid 709 and name HN )) (( segid "HID " and resid 710 and name HN )) 3.200 1.300 1.300 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.90307E-03 ppm1 7.960 ppm2 7.796 CV 1 ASSI { 1108} (( segid "HID " and resid 711 and name HN )) (( segid "HID " and resid 710 and name HN )) 2.900 1.000 1.000 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.16339E-02 ppm1 7.960 ppm2 8.390 CV 1 ASSI { 1110} (( segid "HID " and resid 711 and name HN )) (( segid "HID " and resid 712 and name HN )) 3.100 1.200 1.200 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.10055E-02 ppm1 7.937 ppm2 8.400 CV 1 ASSI { 1112} (( segid "HID " and resid 713 and name HA1 )) (( segid "HID " and resid 713 and name HN )) 2.600 0.800 0.800 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.33142E-02 ppm1 7.927 ppm2 3.942 CV 1 ASSI { 1113} (( segid "HID " and resid 713 and name HA2 )) (( segid "HID " and resid 713 and name HN )) 2.900 1.100 1.100 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.36029E-02 ppm1 7.927 ppm2 3.873 CV 1 ASSI { 1114} (( segid "HID " and resid 715 and name HN )) (( segid "HID " and resid 714 and name HN )) 3.400 1.400 1.400 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.66097E-03 ppm1 7.971 ppm2 8.292 CV 1 ASSI { 1117} (( segid "HID " and resid 716 and name HG1 )) (( segid "HID " and resid 716 and name HN )) 5.200 3.300 0.800 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.27603E-03 ppm1 7.944 ppm2 1.456 CV 1 ASSI { 1118} (( segid "HID " and resid 716 and name HG2 )) (( segid "HID " and resid 716 and name HN )) 4.800 2.900 1.200 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.32770E-03 ppm1 7.940 ppm2 1.370 CV 1 ASSI { 1119} (( segid "HID " and resid 716 and name HB1 )) (( segid "HID " and resid 716 and name HN )) 2.500 0.800 0.800 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.33748E-02 ppm1 7.943 ppm2 1.866 CV 1 OR { 1119} (( segid "HID " and resid 716 and name HB2 )) (( segid "HID " and resid 716 and name HN )) ASSI { 1120} (( segid "HID " and resid 716 and name HN )) (( segid "HID " and resid 717 and name HN )) 2.800 1.000 1.000 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.25276E-02 ppm1 7.767 ppm2 7.955 CV 1 ASSI { 1122} (( segid "HID " and resid 717 and name HN )) (( segid "HID " and resid 718 and name HN )) 2.500 0.800 0.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.37891E-02 ppm1 8.196 ppm2 7.774 CV 1 ASSI { 1123} (( segid "HID " and resid 723 and name HN )) (( segid "HID " and resid 724 and name HN )) 4.200 2.200 1.800 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.20900E-03 ppm1 8.036 ppm2 8.246 CV 1 ASSI { 1126} ( segid "HID " and resid 725 and name HD% ) (( segid "HID " and resid 725 and name HN )) 3.500 1.500 1.500 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.85652E-03 ppm1 7.831 ppm2 6.972 CV 1 ASSI { 1127} (( segid "HID " and resid 724 and name HN )) (( segid "HID " and resid 725 and name HN )) 3.800 1.800 1.800 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.10892E-02 ppm1 7.827 ppm2 8.043 CV 1 ASSI { 1128} (( segid "HID " and resid 707 and name HD1 )) (( segid "HID " and resid 707 and name HE1 )) 2.900 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.17270E-02 ppm1 9.790 ppm2 6.965 CV 1 ASSI { 1129} (( segid "HID " and resid 707 and name HZ2 )) (( segid "HID " and resid 707 and name HE1 )) 3.400 1.400 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.78668E-03 ppm1 9.796 ppm2 7.933 CV 1 ASSI { 1130} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 671 and name HE22)) 4.300 2.300 1.700 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.57720E-03 ppm1 6.775 ppm2 2.484 CV 1 OR { 1130} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 671 and name HE22)) ASSI { 1131} (( segid "HID " and resid 706 and name HB1 )) (( segid "HID " and resid 706 and name HN )) 2.200 0.600 0.600 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.87976E-02 ppm1 7.627 ppm2 1.986 CV 1 ASSI { 1135} ( segid "HID " and resid 624 and name HD2%) (( segid "HID " and resid 624 and name HN )) 3.200 1.300 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.11777E-02 ppm1 8.558 ppm2 0.900 CV 1 ASSI { 1136} (( segid "HID " and resid 619 and name HB2 )) (( segid "HID " and resid 619 and name HN )) 2.400 0.700 0.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 8.123 ppm2 2.019 CV 1 OR { 1136} (( segid "HID " and resid 619 and name HB1 )) (( segid "HID " and resid 619 and name HN )) ASSI { 1137} ( segid "HID " and resid 631 and name HD1%) (( segid "HID " and resid 632 and name HN )) 4.100 2.100 1.900 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.10567E-02 ppm1 8.400 ppm2 0.732 CV 1 ASSI { 1139} (( segid "HID " and resid 637 and name HB )) (( segid "HID " and resid 638 and name HN )) 2.600 0.900 0.900 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.27603E-02 ppm1 8.667 ppm2 2.151 CV 1 ASSI { 1141} (( segid "HID " and resid 646 and name HA )) (( segid "HID " and resid 647 and name HN )) 3.500 1.500 1.500 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.10101E-02 ppm1 8.795 ppm2 3.966 CV 1 ASSI { 1143} ( segid "HID " and resid 652 and name HD% ) (( segid "HID " and resid 653 and name HN )) 3.900 1.900 1.900 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.88908E-03 ppm1 7.638 ppm2 7.087 CV 1 ASSI { 1145} (( segid "HID " and resid 654 and name HA )) (( segid "HID " and resid 654 and name HN )) 2.900 1.100 1.100 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.15082E-02 ppm1 8.532 ppm2 4.474 CV 1 ASSI { 1146} ( segid "HID " and resid 664 and name HG1%) (( segid "HID " and resid 665 and name HN )) 3.500 1.500 1.500 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.53531E-03 ppm1 7.508 ppm2 0.976 CV 1 ASSI { 1150} (( segid "HID " and resid 671 and name HG1 )) (( segid "HID " and resid 674 and name HN )) 4.400 2.400 1.600 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.56789E-03 ppm1 8.328 ppm2 2.437 CV 1 OR { 1150} (( segid "HID " and resid 671 and name HG2 )) (( segid "HID " and resid 674 and name HN )) ASSI { 1151} (( segid "HID " and resid 673 and name HG12)) (( segid "HID " and resid 674 and name HN )) 3.800 1.800 1.800 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11591E-02 ppm1 8.323 ppm2 1.311 CV 1 ASSI { 1158} (( segid "HID " and resid 703 and name HG1 )) (( segid "HID " and resid 707 and name HE1 )) 4.000 2.000 2.000 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.38821E-03 ppm1 9.793 ppm2 1.394 CV 1 OR { 1158} (( segid "HID " and resid 703 and name HG2 )) (( segid "HID " and resid 707 and name HE1 )) ASSI { 1161} ( segid "SID " and resid 207 and name HD2%) (( segid "HID " and resid 707 and name HE1 )) 4.300 2.300 1.700 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.32445E-03 ppm1 9.794 ppm2 0.716 CV 1 OR { 1161} ( segid "SID " and resid 207 and name HD1%) (( segid "HID " and resid 707 and name HE1 )) ASSI { 1163} (( segid "HID " and resid 704 and name HA )) (( segid "HID " and resid 707 and name HN )) 4.900 3.000 1.100 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.99615E-04 ppm1 9.234 ppm2 3.820 CV 1 ASSI { 1164} (( segid "HID " and resid 702 and name HA )) (( segid "HID " and resid 706 and name HN )) 4.200 2.200 1.800 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.29046E-03 ppm1 7.624 ppm2 4.148 CV 1 ASSI { 1165} (( segid "HID " and resid 703 and name HA )) (( segid "HID " and resid 704 and name HN )) 4.100 2.100 1.900 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.26300E-03 ppm1 7.758 ppm2 3.400 CV 1 ASSI { 1166} (( segid "HID " and resid 621 and name HA )) (( segid "HID " and resid 711 and name HE22)) 3.700 1.700 1.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.55393E-03 ppm1 6.816 ppm2 4.326 CV 1 ASSI { 1169} (( segid "HID " and resid 622 and name HN )) (( segid "HID " and resid 620 and name HN )) 3.000 1.100 1.100 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.25322E-02 ppm1 7.814 ppm2 7.521 CV 1 ASSI { 1} ( segid "SID " and resid 205 and name HB% ) (( segid "SID " and resid 205 and name HA )) 2.100 0.500 0.500 peak 1 spectrum 1 weight 0.10000E+01 volume 0.14247E-01 ppm1 4.222 ppm2 1.321 CV 1 ASSI { 2} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 205 and name HA )) 3.200 3.200 2.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.51226E-03 ppm1 4.217 ppm2 0.705 CV 1 OR { 2} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 205 and name HA )) ASSI { 4} ( segid "SID " and resid 207 and name HD2%) ( segid "SID " and resid 205 and name HB% ) 3.100 1.200 1.200 peak 4 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 1.325 ppm2 0.708 CV 1 OR { 4} ( segid "SID " and resid 207 and name HD1%) ( segid "SID " and resid 205 and name HB% ) ASSI { 5} ( segid "HID " and resid 714 and name HD% ) ( segid "SID " and resid 205 and name HB% ) 3.900 1.900 1.900 peak 5 spectrum 1 weight 0.10000E+01 volume 0.47224E-03 ppm1 1.316 ppm2 -0.820 CV 1 ASSI { 6} (( segid "SID " and resid 206 and name HB1 )) (( segid "SID " and resid 206 and name HA )) 2.500 0.800 0.800 peak 6 spectrum 1 weight 0.10000E+01 volume 0.46824E-02 ppm1 4.262 ppm2 2.041 CV 1 ASSI { 7} (( segid "SID " and resid 206 and name HB2 )) (( segid "SID " and resid 206 and name HA )) 2.500 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.39420E-02 ppm1 4.261 ppm2 1.933 CV 1 ASSI { 8} (( segid "SID " and resid 206 and name HG2 )) (( segid "SID " and resid 206 and name HA )) 2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.33417E-02 ppm1 4.260 ppm2 2.288 CV 1 OR { 8} (( segid "SID " and resid 206 and name HG1 )) (( segid "SID " and resid 206 and name HA )) ASSI { 9} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 206 and name HA )) 2.600 2.600 3.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.16889E-02 ppm1 4.263 ppm2 0.703 CV 1 OR { 9} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 206 and name HA )) ASSI { 15} (( segid "SID " and resid 206 and name HB1 )) (( segid "SID " and resid 206 and name HG1 )) 2.100 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.14408E-01 ppm1 2.292 ppm2 2.043 CV 1 OR { 15} (( segid "SID " and resid 206 and name HB1 )) (( segid "SID " and resid 206 and name HG2 )) ASSI { 16} (( segid "SID " and resid 206 and name HB2 )) (( segid "SID " and resid 206 and name HG2 )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.91846E-02 ppm1 2.292 ppm2 1.936 CV 1 OR { 16} (( segid "SID " and resid 206 and name HB2 )) (( segid "SID " and resid 206 and name HG1 )) ASSI { 17} (( segid "SID " and resid 207 and name HB1 )) (( segid "SID " and resid 207 and name HA )) 2.900 1.100 1.100 peak 17 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 4.157 ppm2 1.182 CV 1 ASSI { 18} (( segid "SID " and resid 207 and name HB2 )) (( segid "SID " and resid 207 and name HA )) 3.200 1.300 1.300 peak 18 spectrum 1 weight 0.10000E+01 volume 0.14787E-02 ppm1 4.157 ppm2 1.016 CV 1 ASSI { 19} (( segid "SID " and resid 207 and name HG )) (( segid "SID " and resid 207 and name HA )) 3.400 1.400 1.400 peak 19 spectrum 1 weight 0.10000E+01 volume 0.83841E-03 ppm1 4.155 ppm2 1.308 CV 1 ASSI { 20} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 207 and name HA )) 2.600 0.900 0.900 peak 20 spectrum 1 weight 0.10000E+01 volume 0.37419E-02 ppm1 4.157 ppm2 0.705 CV 1 OR { 20} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 207 and name HA )) ASSI { 24} (( segid "SID " and resid 207 and name HB1 )) (( segid "SID " and resid 207 and name HB2 )) 1.900 0.400 0.400 peak 24 spectrum 1 weight 0.10000E+01 volume 0.10806E-01 ppm1 1.017 ppm2 1.174 CV 1 ASSI { 25} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 207 and name HB2 )) 2.800 0.900 0.900 peak 25 spectrum 1 weight 0.10000E+01 volume 0.29014E-02 ppm1 1.016 ppm2 0.705 CV 1 OR { 25} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 207 and name HB2 )) ASSI { 27} (( segid "SID " and resid 207 and name HB1 )) (( segid "SID " and resid 207 and name HG )) 2.700 0.900 0.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.36218E-02 ppm1 1.313 ppm2 1.180 CV 1 ASSI { 28} (( segid "SID " and resid 207 and name HB2 )) (( segid "SID " and resid 207 and name HG )) 2.700 0.900 0.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.20410E-02 ppm1 1.311 ppm2 1.023 CV 1 ASSI { 29} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 207 and name HG )) 2.600 0.900 0.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.29215E-02 ppm1 1.312 ppm2 0.705 CV 1 OR { 29} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 207 and name HG )) ASSI { 30} (( segid "HID " and resid 707 and name HD1 )) ( segid "SID " and resid 207 and name HD2%) 2.900 1.100 1.100 peak 30 spectrum 1 weight 0.10000E+01 volume 0.20010E-02 ppm1 0.708 ppm2 -1.038 CV 1 OR { 30} (( segid "HID " and resid 707 and name HD1 )) ( segid "SID " and resid 207 and name HD1%) ASSI { 32} (( segid "SID " and resid 207 and name HA )) ( segid "SID " and resid 207 and name HD2%) 2.500 2.500 3.500 peak 32 spectrum 1 weight 0.10000E+01 volume 0.52026E-02 ppm1 0.703 ppm2 4.147 CV 1 ASSI { 33} (( segid "SID " and resid 207 and name HB1 )) ( segid "SID " and resid 207 and name HD1%) 2.600 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 0.707 ppm2 1.182 CV 1 OR { 33} (( segid "SID " and resid 207 and name HB1 )) ( segid "SID " and resid 207 and name HD2%) ASSI { 34} (( segid "SID " and resid 207 and name HB2 )) ( segid "SID " and resid 207 and name HD2%) 2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.56628E-02 ppm1 0.703 ppm2 1.018 CV 1 ASSI { 35} (( segid "SID " and resid 207 and name HG )) ( segid "SID " and resid 207 and name HD2%) 2.200 0.600 0.600 peak 35 spectrum 1 weight 0.10000E+01 volume 0.84242E-02 ppm1 0.705 ppm2 1.306 CV 1 ASSI { 36} (( segid "HID " and resid 707 and name HA )) ( segid "SID " and resid 207 and name HD2%) 3.200 1.300 1.300 peak 36 spectrum 1 weight 0.10000E+01 volume 0.16449E-02 ppm1 0.703 ppm2 4.700 CV 1 OR { 36} (( segid "HID " and resid 707 and name HA )) ( segid "SID " and resid 207 and name HD1%) ASSI { 37} ( segid "HID " and resid 714 and name HD% ) ( segid "SID " and resid 207 and name HD2%) 3.000 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.19010E-02 ppm1 0.704 ppm2 -0.823 CV 1 ASSI { 38} ( segid "SID " and resid 209 and name HD% ) ( segid "SID " and resid 207 and name HD2%) 3.300 1.300 1.300 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12387E-02 ppm1 0.701 ppm2 -0.911 CV 1 ASSI { 39} ( segid "HID " and resid 710 and name HB% ) ( segid "SID " and resid 207 and name HD2%) 2.100 0.600 0.600 peak 39 spectrum 1 weight 0.10000E+01 volume 0.10566E-01 ppm1 0.702 ppm2 1.568 CV 1 ASSI { 42} (( segid "SID " and resid 208 and name HB2 )) (( segid "SID " and resid 208 and name HA )) 2.800 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.31016E-02 ppm1 4.759 ppm2 2.707 CV 1 ASSI { 43} (( segid "SID " and resid 208 and name HA )) (( segid "SID " and resid 208 and name HB1 )) 2.900 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.19030E-02 ppm1 2.888 ppm2 4.758 CV 1 ASSI { 46} (( segid "HID " and resid 673 and name HA )) (( segid "SID " and resid 210 and name HA )) 2.900 1.100 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.15148E-02 ppm1 4.449 ppm2 5.178 CV 1 ASSI { 48} ( segid "SID " and resid 210 and name HD1%) (( segid "SID " and resid 210 and name HB1 )) 4.100 2.100 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.40020E-03 ppm1 1.859 ppm2 1.000 CV 1 ASSI { 49} (( segid "SID " and resid 210 and name HB1 )) (( segid "SID " and resid 210 and name HB2 )) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.23812E-02 ppm1 1.696 ppm2 1.853 CV 1 ASSI { 50} ( segid "SID " and resid 210 and name HD1%) (( segid "SID " and resid 210 and name HB2 )) 3.300 1.400 1.400 peak 50 spectrum 1 weight 0.10000E+01 volume 0.77441E-03 ppm1 1.697 ppm2 0.996 CV 1 ASSI { 51} ( segid "SID " and resid 210 and name HD1%) (( segid "SID " and resid 210 and name HG )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.27414E-02 ppm1 1.872 ppm2 0.995 CV 1 ASSI { 52} ( segid "SID " and resid 210 and name HD2%) (( segid "SID " and resid 210 and name HG )) 2.500 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.40821E-02 ppm1 1.873 ppm2 0.922 CV 1 ASSI { 53} (( segid "SID " and resid 210 and name HA )) ( segid "SID " and resid 210 and name HD1%) 3.800 1.800 1.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.35418E-03 ppm1 0.994 ppm2 4.438 CV 1 ASSI { 55} (( segid "SID " and resid 210 and name HG )) ( segid "SID " and resid 210 and name HD1%) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.62829E-02 ppm1 1.000 ppm2 1.861 CV 1 OR { 55} (( segid "SID " and resid 210 and name HB1 )) ( segid "SID " and resid 210 and name HD1%) ASSI { 57} (( segid "SID " and resid 210 and name HA )) ( segid "SID " and resid 210 and name HD2%) 2.700 0.900 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.41221E-02 ppm1 0.930 ppm2 4.435 CV 1 ASSI { 59} (( segid "SID " and resid 210 and name HG )) ( segid "SID " and resid 210 and name HD2%) 2.200 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.95846E-02 ppm1 0.930 ppm2 1.860 CV 1 OR { 59} (( segid "SID " and resid 210 and name HB1 )) ( segid "SID " and resid 210 and name HD2%) ASSI { 60} (( segid "HID " and resid 673 and name HA )) ( segid "SID " and resid 210 and name HD2%) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 0.930 ppm2 5.175 CV 1 ASSI { 61} ( segid "HID " and resid 673 and name HG2%) ( segid "SID " and resid 210 and name HD2%) 2.700 2.700 3.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.15328E-02 ppm1 0.920 ppm2 1.217 CV 1 ASSI { 62} (( segid "HID " and resid 674 and name HA )) ( segid "SID " and resid 210 and name HD2%) 3.800 1.800 1.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.43422E-03 ppm1 0.930 ppm2 4.660 CV 1 ASSI { 64} (( segid "HID " and resid 675 and name HA )) ( segid "SID " and resid 210 and name HD2%) 3.300 1.300 1.300 peak 64 spectrum 1 weight 0.10000E+01 volume 0.19930E-02 ppm1 0.930 ppm2 4.280 CV 1 ASSI { 65} (( segid "SID " and resid 211 and name HB2 )) (( segid "SID " and resid 211 and name HA )) 3.600 1.600 1.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.70038E-03 ppm1 4.455 ppm2 1.413 CV 1 ASSI { 66} ( segid "SID " and resid 211 and name HD2%) (( segid "SID " and resid 211 and name HA )) 2.700 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.34217E-02 ppm1 4.451 ppm2 0.701 CV 1 ASSI { 68} ( segid "SID " and resid 211 and name HD2%) ( segid "SID " and resid 211 and name HD1%) 1.800 0.400 0.400 peak 68 spectrum 1 weight 0.10000E+01 volume 0.33017E-01 ppm1 0.834 ppm2 0.705 CV 1 ASSI { 70} (( segid "SID " and resid 211 and name HB2 )) ( segid "SID " and resid 211 and name HD2%) 2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.31816E-02 ppm1 0.701 ppm2 1.404 CV 1 ASSI { 71} (( segid "SID " and resid 211 and name HG )) ( segid "SID " and resid 211 and name HD2%) 2.500 0.800 0.800 peak 71 spectrum 1 weight 0.10000E+01 volume 0.34818E-02 ppm1 0.700 ppm2 1.652 CV 1 OR { 71} (( segid "SID " and resid 211 and name HB1 )) ( segid "SID " and resid 211 and name HD2%) ASSI { 73} (( segid "HID " and resid 673 and name HB )) ( segid "SID " and resid 211 and name HD2%) 3.200 1.300 1.300 peak 73 spectrum 1 weight 0.10000E+01 volume 0.12186E-02 ppm1 0.698 ppm2 1.808 CV 1 ASSI { 74} (( segid "HID " and resid 699 and name HA )) ( segid "SID " and resid 211 and name HD2%) 3.600 1.600 1.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.69035E-03 ppm1 0.702 ppm2 3.916 CV 1 ASSI { 75} (( segid "HID " and resid 699 and name HD1 )) ( segid "SID " and resid 211 and name HD2%) 3.500 1.500 1.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.83841E-03 ppm1 0.697 ppm2 3.107 CV 1 ASSI { 76} (( segid "HID " and resid 699 and name HB2 )) ( segid "SID " and resid 211 and name HD2%) 3.200 1.300 1.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.10745E-02 ppm1 0.699 ppm2 2.308 CV 1 OR { 76} (( segid "HID " and resid 699 and name HB1 )) ( segid "SID " and resid 211 and name HD2%) ASSI { 78} (( segid "SID " and resid 212 and name HB )) (( segid "SID " and resid 212 and name HA )) 2.500 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.37019E-02 ppm1 4.329 ppm2 4.692 CV 1 ASSI { 82} (( segid "SID " and resid 212 and name HA )) ( segid "SID " and resid 212 and name HG2%) 2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.99249E-02 ppm1 1.262 ppm2 4.318 CV 1 ASSI { 83} (( segid "SID " and resid 212 and name HB )) ( segid "SID " and resid 212 and name HG2%) 2.300 0.700 0.700 peak 83 spectrum 1 weight 0.10000E+01 volume 0.72238E-02 ppm1 1.264 ppm2 4.692 CV 1 ASSI { 84} (( segid "SID " and resid 213 and name HB1 )) (( segid "SID " and resid 213 and name HA )) 2.600 0.800 0.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.36819E-02 ppm1 4.314 ppm2 2.648 CV 1 OR { 84} (( segid "SID " and resid 213 and name HB2 )) (( segid "SID " and resid 213 and name HA )) ASSI { 85} (( segid "SID " and resid 216 and name HB )) (( segid "SID " and resid 213 and name HA )) 2.900 1.100 1.100 peak 85 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 4.320 ppm2 1.994 CV 1 ASSI { 86} ( segid "SID " and resid 216 and name HD1%) (( segid "SID " and resid 213 and name HA )) 3.300 1.300 1.300 peak 86 spectrum 1 weight 0.10000E+01 volume 0.94849E-03 ppm1 4.314 ppm2 1.007 CV 1 ASSI { 87} (( segid "SID " and resid 216 and name HG12)) (( segid "SID " and resid 213 and name HA )) 4.000 2.000 2.000 peak 87 spectrum 1 weight 0.10000E+01 volume 0.58830E-03 ppm1 4.312 ppm2 1.081 CV 1 OR { 87} ( segid "SID " and resid 216 and name HG2%) (( segid "SID " and resid 213 and name HA )) ASSI { 90} (( segid "SID " and resid 214 and name HB2 )) (( segid "SID " and resid 214 and name HA )) 2.500 0.800 0.800 peak 90 spectrum 1 weight 0.10000E+01 volume 0.35618E-02 ppm1 4.000 ppm2 1.948 CV 1 ASSI { 92} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 218 and name HA )) 2.600 0.800 0.800 peak 92 spectrum 1 weight 0.10000E+01 volume 0.53627E-02 ppm1 4.002 ppm2 2.177 CV 1 ASSI { 93} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 214 and name HB1 )) 2.500 0.800 0.800 peak 93 spectrum 1 weight 0.10000E+01 volume 0.75040E-02 ppm1 2.028 ppm2 3.989 CV 1 ASSI { 95} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 214 and name HG2 )) 2.400 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.58630E-02 ppm1 2.316 ppm2 3.988 CV 1 OR { 95} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 214 and name HG1 )) ASSI { 96} (( segid "SID " and resid 214 and name HB1 )) (( segid "SID " and resid 214 and name HG2 )) 2.000 0.500 0.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.17229E-01 ppm1 2.310 ppm2 2.024 CV 1 OR { 96} (( segid "SID " and resid 214 and name HB1 )) (( segid "SID " and resid 214 and name HG1 )) ASSI { 97} (( segid "SID " and resid 214 and name HB2 )) (( segid "SID " and resid 214 and name HG1 )) 2.100 0.600 0.600 peak 97 spectrum 1 weight 0.10000E+01 volume 0.13587E-01 ppm1 2.310 ppm2 1.939 CV 1 OR { 97} (( segid "SID " and resid 214 and name HB2 )) (( segid "SID " and resid 214 and name HG2 )) ASSI { 98} (( segid "SID " and resid 215 and name HB1 )) (( segid "SID " and resid 215 and name HA )) 2.700 0.900 0.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.29215E-02 ppm1 3.973 ppm2 2.342 CV 1 OR { 98} (( segid "SID " and resid 215 and name HB2 )) (( segid "SID " and resid 215 and name HA )) ASSI { 99} (( segid "SID " and resid 215 and name HG2 )) (( segid "SID " and resid 215 and name HA )) 3.300 1.400 1.400 peak 99 spectrum 1 weight 0.10000E+01 volume 0.91244E-03 ppm1 3.966 ppm2 2.468 CV 1 OR { 99} (( segid "SID " and resid 215 and name HG1 )) (( segid "SID " and resid 215 and name HA )) ASSI { 100} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 215 and name HA )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.23012E-02 ppm1 3.980 ppm2 2.190 CV 1 ASSI { 101} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 215 and name HA )) 2.800 1.000 1.000 peak 101 spectrum 1 weight 0.10000E+01 volume 0.24012E-02 ppm1 3.980 ppm2 2.094 CV 1 ASSI { 104} (( segid "SID " and resid 215 and name HB2 )) (( segid "SID " and resid 215 and name HG1 )) 2.400 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.54028E-02 ppm1 2.464 ppm2 2.359 CV 1 OR { 104} (( segid "SID " and resid 215 and name HB1 )) (( segid "SID " and resid 215 and name HG2 )) OR { 104} (( segid "SID " and resid 215 and name HB1 )) (( segid "SID " and resid 215 and name HG1 )) OR { 104} (( segid "SID " and resid 215 and name HB2 )) (( segid "SID " and resid 215 and name HG2 )) ASSI { 105} (( segid "SID " and resid 216 and name HB )) (( segid "SID " and resid 216 and name HA )) 3.400 1.500 1.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.67637E-03 ppm1 3.656 ppm2 1.994 CV 1 ASSI { 106} (( segid "SID " and resid 216 and name HG12)) (( segid "SID " and resid 216 and name HA )) 3.200 1.300 1.300 peak 106 spectrum 1 weight 0.10000E+01 volume 0.95846E-03 ppm1 3.660 ppm2 1.016 CV 1 OR { 106} ( segid "SID " and resid 216 and name HD1%) (( segid "SID " and resid 216 and name HA )) ASSI { 107} ( segid "SID " and resid 216 and name HG2%) (( segid "SID " and resid 216 and name HA )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.10806E-02 ppm1 3.657 ppm2 1.088 CV 1 OR { 107} (( segid "SID " and resid 216 and name HG12)) (( segid "SID " and resid 216 and name HA )) ASSI { 108} ( segid "HID " and resid 674 and name HD% ) (( segid "SID " and resid 216 and name HA )) 4.000 2.000 2.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.26414E-03 ppm1 3.656 ppm2 -0.891 CV 1 ASSI { 109} ( segid "HID " and resid 674 and name HE% ) (( segid "SID " and resid 216 and name HA )) 3.500 1.500 1.500 peak 109 spectrum 1 weight 0.10000E+01 volume 0.55028E-03 ppm1 3.653 ppm2 -1.296 CV 1 ASSI { 111} (( segid "SID " and resid 216 and name HB )) (( segid "SID " and resid 216 and name HG12)) 4.200 2.200 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.20610E-03 ppm1 1.048 ppm2 1.990 CV 1 ASSI { 113} (( segid "SID " and resid 216 and name HA )) ( segid "SID " and resid 216 and name HD1%) 3.900 1.900 1.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.45623E-03 ppm1 1.009 ppm2 3.643 CV 1 ASSI { 114} (( segid "SID " and resid 216 and name HB )) ( segid "SID " and resid 216 and name HD1%) 2.500 0.800 0.800 peak 114 spectrum 1 weight 0.10000E+01 volume 0.45423E-02 ppm1 1.010 ppm2 1.999 CV 1 ASSI { 116} (( segid "HID " and resid 674 and name HA )) ( segid "SID " and resid 216 and name HD1%) 2.800 1.000 1.000 peak 116 spectrum 1 weight 0.10000E+01 volume 0.19770E-02 ppm1 1.008 ppm2 4.662 CV 1 ASSI { 117} (( segid "HID " and resid 676 and name HB2 )) ( segid "SID " and resid 216 and name HD1%) 4.500 2.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14187E-03 ppm1 1.006 ppm2 2.862 CV 1 OR { 117} (( segid "HID " and resid 676 and name HB1 )) ( segid "SID " and resid 216 and name HD1%) ASSI { 118} (( segid "HID " and resid 674 and name HB2 )) ( segid "SID " and resid 216 and name HD1%) 5.100 3.300 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.23012E-03 ppm1 1.003 ppm2 2.537 CV 1 ASSI { 119} ( segid "HID " and resid 674 and name HD% ) ( segid "SID " and resid 216 and name HD1%) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 1.007 ppm2 -0.897 CV 1 ASSI { 120} ( segid "HID " and resid 674 and name HE% ) ( segid "SID " and resid 216 and name HD1%) 3.500 1.500 1.500 peak 120 spectrum 1 weight 0.10000E+01 volume 0.33217E-03 ppm1 1.007 ppm2 -1.295 CV 1 ASSI { 121} (( segid "SID " and resid 213 and name HA )) ( segid "SID " and resid 216 and name HG2%) 4.700 2.800 1.300 peak 121 spectrum 1 weight 0.10000E+01 volume 0.23412E-03 ppm1 1.089 ppm2 4.307 CV 1 ASSI { 122} (( segid "SID " and resid 216 and name HA )) ( segid "SID " and resid 216 and name HG2%) 3.200 1.300 1.300 peak 122 spectrum 1 weight 0.10000E+01 volume 0.86242E-03 ppm1 1.087 ppm2 3.647 CV 1 ASSI { 123} (( segid "SID " and resid 216 and name HB )) ( segid "SID " and resid 216 and name HG2%) 2.500 0.800 0.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.36018E-02 ppm1 1.090 ppm2 1.991 CV 1 ASSI { 124} (( segid "HID " and resid 674 and name HA )) ( segid "SID " and resid 216 and name HG2%) 3.700 1.700 1.700 peak 124 spectrum 1 weight 0.10000E+01 volume 0.64634E-03 ppm1 1.088 ppm2 4.668 CV 1 ASSI { 126} (( segid "SID " and resid 216 and name HG11)) ( segid "SID " and resid 216 and name HG2%) 3.000 1.200 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.19110E-02 ppm1 1.090 ppm2 1.575 CV 1 ASSI { 127} (( segid "HID " and resid 677 and name HE2 )) ( segid "SID " and resid 216 and name HG2%) 3.400 1.500 1.500 peak 127 spectrum 1 weight 0.10000E+01 volume 0.36819E-03 ppm1 1.089 ppm2 2.951 CV 1 OR { 127} (( segid "HID " and resid 677 and name HE1 )) ( segid "SID " and resid 216 and name HG2%) ASSI { 129} (( segid "SID " and resid 217 and name HB2 )) (( segid "SID " and resid 217 and name HA )) 2.800 1.000 1.000 peak 129 spectrum 1 weight 0.10000E+01 volume 0.21411E-02 ppm1 4.204 ppm2 2.058 CV 1 ASSI { 130} (( segid "SID " and resid 217 and name HB1 )) (( segid "SID " and resid 217 and name HA )) 3.000 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.13206E-02 ppm1 4.206 ppm2 2.197 CV 1 ASSI { 131} (( segid "SID " and resid 220 and name HB1 )) (( segid "SID " and resid 217 and name HA )) 3.100 1.200 1.200 peak 131 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 4.202 ppm2 1.935 CV 1 ASSI { 133} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 217 and name HA )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.16628E-02 ppm1 4.206 ppm2 0.916 CV 1 ASSI { 135} (( segid "SID " and resid 217 and name HB2 )) (( segid "SID " and resid 217 and name HB1 )) 1.900 0.500 0.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.90448E-02 ppm1 2.202 ppm2 2.060 CV 1 ASSI { 140} (( segid "SID " and resid 217 and name HG1 )) (( segid "SID " and resid 217 and name HB2 )) 2.600 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.29215E-02 ppm1 2.070 ppm2 2.724 CV 1 ASSI { 141} (( segid "SID " and resid 217 and name HG2 )) (( segid "SID " and resid 217 and name HB2 )) 2.900 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.20210E-02 ppm1 2.067 ppm2 2.657 CV 1 ASSI { 143} (( segid "SID " and resid 217 and name HA )) (( segid "SID " and resid 217 and name HG1 )) 3.400 1.500 1.500 peak 143 spectrum 1 weight 0.10000E+01 volume 0.69637E-03 ppm1 2.728 ppm2 4.204 CV 1 ASSI { 144} (( segid "SID " and resid 217 and name HB1 )) (( segid "SID " and resid 217 and name HG1 )) 2.800 1.000 1.000 peak 144 spectrum 1 weight 0.10000E+01 volume 0.28614E-02 ppm1 2.731 ppm2 2.198 CV 1 ASSI { 145} (( segid "SID " and resid 217 and name HB2 )) (( segid "SID " and resid 217 and name HG1 )) 2.400 0.700 0.700 peak 145 spectrum 1 weight 0.10000E+01 volume 0.47424E-02 ppm1 2.731 ppm2 2.066 CV 1 OR { 145} ( segid "SID " and resid 217 and name HE% ) (( segid "SID " and resid 217 and name HG1 )) ASSI { 146} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 217 and name HG1 )) 2.900 1.100 1.100 peak 146 spectrum 1 weight 0.10000E+01 volume 0.92247E-03 ppm1 2.732 ppm2 0.916 CV 1 ASSI { 148} (( segid "SID " and resid 217 and name HA )) (( segid "SID " and resid 217 and name HG2 )) 3.800 1.800 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.44622E-03 ppm1 2.666 ppm2 4.197 CV 1 ASSI { 149} (( segid "SID " and resid 217 and name HB1 )) (( segid "SID " and resid 217 and name HG2 )) 2.700 0.900 0.900 peak 149 spectrum 1 weight 0.10000E+01 volume 0.26614E-02 ppm1 2.663 ppm2 2.198 CV 1 ASSI { 150} (( segid "SID " and resid 217 and name HB2 )) (( segid "SID " and resid 217 and name HG2 )) 2.600 0.800 0.800 peak 150 spectrum 1 weight 0.10000E+01 volume 0.44622E-02 ppm1 2.661 ppm2 2.067 CV 1 OR { 150} ( segid "SID " and resid 217 and name HE% ) (( segid "SID " and resid 217 and name HG2 )) ASSI { 151} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 217 and name HG2 )) 3.000 3.000 3.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.84644E-03 ppm1 2.665 ppm2 0.913 CV 1 ASSI { 152} (( segid "SID " and resid 214 and name HA )) ( segid "SID " and resid 217 and name HE% ) 3.600 1.600 1.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.61632E-03 ppm1 2.084 ppm2 3.991 CV 1 ASSI { 154} (( segid "SID " and resid 217 and name HA )) ( segid "SID " and resid 217 and name HE% ) 3.700 1.700 1.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.58429E-03 ppm1 2.085 ppm2 4.200 CV 1 ASSI { 155} (( segid "SID " and resid 217 and name HG1 )) ( segid "SID " and resid 217 and name HE% ) 3.200 1.300 1.300 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10586E-02 ppm1 2.082 ppm2 2.727 CV 1 ASSI { 156} (( segid "SID " and resid 217 and name HG2 )) ( segid "SID " and resid 217 and name HE% ) 3.300 1.400 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.12486E-02 ppm1 2.084 ppm2 2.659 CV 1 ASSI { 157} ( segid "SID " and resid 220 and name HD1%) ( segid "SID " and resid 217 and name HE% ) 3.000 3.000 3.000 peak 157 spectrum 1 weight 0.10000E+01 volume 0.75241E-03 ppm1 2.086 ppm2 0.760 CV 1 ASSI { 158} ( segid "SID " and resid 220 and name HD2%) ( segid "SID " and resid 217 and name HE% ) 2.300 2.300 3.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.42421E-02 ppm1 2.085 ppm2 0.911 CV 1 ASSI { 159} (( segid "HID " and resid 677 and name HE1 )) ( segid "SID " and resid 217 and name HE% ) 3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.44222E-03 ppm1 2.087 ppm2 2.949 CV 1 OR { 159} (( segid "HID " and resid 677 and name HE2 )) ( segid "SID " and resid 217 and name HE% ) ASSI { 161} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 218 and name HA )) 2.500 0.800 0.800 peak 161 spectrum 1 weight 0.10000E+01 volume 0.37019E-02 ppm1 4.002 ppm2 2.102 CV 1 ASSI { 162} (( segid "SID " and resid 221 and name HD2 )) (( segid "SID " and resid 218 and name HA )) 4.500 2.500 1.500 peak 162 spectrum 1 weight 0.10000E+01 volume 0.16488E-03 ppm1 4.009 ppm2 3.209 CV 1 OR { 162} (( segid "SID " and resid 221 and name HD1 )) (( segid "SID " and resid 218 and name HA )) ASSI { 168} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 218 and name HG2 )) 1.800 0.400 0.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.31216E-01 ppm1 2.338 ppm2 2.179 CV 1 OR { 168} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 218 and name HG1 )) ASSI { 169} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 218 and name HG2 )) 1.900 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.25013E-01 ppm1 2.336 ppm2 2.116 CV 1 OR { 169} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 218 and name HG1 )) ASSI { 170} (( segid "SID " and resid 219 and name HB1 )) (( segid "SID " and resid 219 and name HA )) 4.100 2.100 1.900 peak 170 spectrum 1 weight 0.10000E+01 volume 0.22011E-03 ppm1 4.283 ppm2 3.043 CV 1 ASSI { 171} (( segid "SID " and resid 219 and name HB2 )) (( segid "SID " and resid 219 and name HA )) 3.500 1.500 1.500 peak 171 spectrum 1 weight 0.10000E+01 volume 0.75836E-03 ppm1 4.281 ppm2 2.359 CV 1 ASSI { 172} ( segid "HID " and resid 695 and name HG2%) (( segid "SID " and resid 219 and name HA )) 2.900 1.100 1.100 peak 172 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 4.286 ppm2 0.892 CV 1 OR { 172} ( segid "HID " and resid 695 and name HD1%) (( segid "SID " and resid 219 and name HA )) ASSI { 174} (( segid "SID " and resid 219 and name HB2 )) (( segid "SID " and resid 219 and name HB1 )) 2.900 1.100 1.100 peak 174 spectrum 1 weight 0.10000E+01 volume 0.87044E-03 ppm1 3.057 ppm2 2.366 CV 1 ASSI { 175} ( segid "HID " and resid 695 and name HG2%) (( segid "SID " and resid 219 and name HB1 )) 3.800 1.800 1.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.35018E-03 ppm1 3.037 ppm2 0.891 CV 1 OR { 175} ( segid "HID " and resid 695 and name HD1%) (( segid "SID " and resid 219 and name HB1 )) ASSI { 178} (( segid "SID " and resid 220 and name HB1 )) (( segid "SID " and resid 220 and name HA )) 3.400 1.500 1.500 peak 178 spectrum 1 weight 0.10000E+01 volume 0.57429E-03 ppm1 3.874 ppm2 1.915 CV 1 ASSI { 179} (( segid "SID " and resid 220 and name HB2 )) (( segid "SID " and resid 220 and name HA )) 4.000 2.000 2.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.22612E-03 ppm1 3.863 ppm2 1.382 CV 1 ASSI { 181} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 220 and name HA )) 4.800 2.900 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19710E-03 ppm1 3.869 ppm2 0.916 CV 1 ASSI { 182} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 220 and name HA )) 3.400 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.87847E-03 ppm1 3.869 ppm2 1.652 CV 1 OR { 182} (( segid "SID " and resid 223 and name HB1 )) (( segid "SID " and resid 220 and name HA )) ASSI { 184} (( segid "SID " and resid 220 and name HB2 )) (( segid "SID " and resid 220 and name HB1 )) 2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.13447E-02 ppm1 1.914 ppm2 1.374 CV 1 ASSI { 185} (( segid "SID " and resid 220 and name HG )) (( segid "SID " and resid 220 and name HB1 )) 3.500 1.500 1.500 peak 185 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 1.928 ppm2 1.609 CV 1 ASSI { 189} (( segid "SID " and resid 220 and name HG )) (( segid "SID " and resid 220 and name HB2 )) 3.600 1.700 1.700 peak 189 spectrum 1 weight 0.10000E+01 volume 0.61832E-03 ppm1 1.366 ppm2 1.606 CV 1 ASSI { 192} (( segid "SID " and resid 217 and name HA )) ( segid "SID " and resid 220 and name HD1%) 3.500 1.500 1.500 peak 192 spectrum 1 weight 0.10000E+01 volume 0.82443E-03 ppm1 0.757 ppm2 4.220 CV 1 ASSI { 193} (( segid "HID " and resid 677 and name HB1 )) ( segid "SID " and resid 220 and name HD1%) 2.800 1.000 1.000 peak 193 spectrum 1 weight 0.10000E+01 volume 0.22211E-02 ppm1 0.761 ppm2 2.083 CV 1 OR { 193} (( segid "HID " and resid 677 and name HB2 )) ( segid "SID " and resid 220 and name HD1%) ASSI { 194} (( segid "SID " and resid 220 and name HA )) ( segid "SID " and resid 220 and name HD1%) 2.600 0.800 0.800 peak 194 spectrum 1 weight 0.10000E+01 volume 0.34818E-02 ppm1 0.761 ppm2 3.856 CV 1 ASSI { 195} (( segid "SID " and resid 220 and name HB1 )) ( segid "SID " and resid 220 and name HD1%) 2.800 1.000 1.000 peak 195 spectrum 1 weight 0.10000E+01 volume 0.60033E-02 ppm1 0.761 ppm2 1.906 CV 1 ASSI { 196} (( segid "SID " and resid 220 and name HB2 )) ( segid "SID " and resid 220 and name HD1%) 2.500 0.800 0.800 peak 196 spectrum 1 weight 0.10000E+01 volume 0.37219E-02 ppm1 0.761 ppm2 1.380 CV 1 ASSI { 197} (( segid "SID " and resid 220 and name HG )) ( segid "SID " and resid 220 and name HD1%) 2.500 0.800 0.800 peak 197 spectrum 1 weight 0.10000E+01 volume 0.39020E-02 ppm1 0.757 ppm2 1.615 CV 1 ASSI { 198} ( segid "SID " and resid 220 and name HD2%) ( segid "SID " and resid 220 and name HD1%) 2.300 0.600 0.600 peak 198 spectrum 1 weight 0.10000E+01 volume 0.88442E-02 ppm1 0.759 ppm2 0.906 CV 1 ASSI { 199} (( segid "HID " and resid 677 and name HA )) ( segid "SID " and resid 220 and name HD1%) 4.400 2.400 1.600 peak 199 spectrum 1 weight 0.10000E+01 volume 0.31616E-03 ppm1 0.764 ppm2 4.687 CV 1 ASSI { 200} (( segid "HID " and resid 677 and name HE1 )) ( segid "SID " and resid 220 and name HD1%) 3.200 3.200 2.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.56628E-03 ppm1 0.763 ppm2 2.954 CV 1 OR { 200} (( segid "HID " and resid 677 and name HE2 )) ( segid "SID " and resid 220 and name HD1%) ASSI { 201} (( segid "HID " and resid 680 and name HA )) ( segid "SID " and resid 220 and name HD1%) 3.800 1.800 1.800 peak 201 spectrum 1 weight 0.10000E+01 volume 0.78638E-03 ppm1 0.760 ppm2 4.345 CV 1 ASSI { 202} (( segid "HID " and resid 680 and name HB1 )) ( segid "SID " and resid 220 and name HD1%) 2.700 0.900 0.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.23012E-02 ppm1 0.762 ppm2 2.692 CV 1 ASSI { 203} (( segid "HID " and resid 680 and name HB2 )) ( segid "SID " and resid 220 and name HD1%) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.19690E-02 ppm1 0.761 ppm2 2.375 CV 1 ASSI { 204} (( segid "HID " and resid 681 and name HG12)) ( segid "SID " and resid 220 and name HD1%) 4.600 2.600 1.400 peak 204 spectrum 1 weight 0.10000E+01 volume 0.11626E-03 ppm1 0.756 ppm2 -0.526 CV 1 ASSI { 205} ( segid "HID " and resid 681 and name HD1%) ( segid "SID " and resid 220 and name HD1%) 2.600 0.800 0.800 peak 205 spectrum 1 weight 0.10000E+01 volume 0.33017E-02 ppm1 0.761 ppm2 0.190 CV 1 ASSI { 206} ( segid "HID " and resid 681 and name HG2%) ( segid "SID " and resid 220 and name HD1%) 3.700 1.700 1.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.16188E-02 ppm1 0.763 ppm2 0.517 CV 1 ASSI { 207} (( segid "HID " and resid 681 and name HA )) ( segid "SID " and resid 220 and name HD1%) 4.200 2.200 1.800 peak 207 spectrum 1 weight 0.10000E+01 volume 0.43622E-03 ppm1 0.767 ppm2 3.455 CV 1 ASSI { 211} (( segid "SID " and resid 220 and name HB1 )) ( segid "SID " and resid 220 and name HD2%) 2.300 0.700 0.700 peak 211 spectrum 1 weight 0.10000E+01 volume 0.67236E-02 ppm1 0.917 ppm2 1.906 CV 1 ASSI { 212} (( segid "SID " and resid 220 and name HB2 )) ( segid "SID " and resid 220 and name HD2%) 2.800 1.000 1.000 peak 212 spectrum 1 weight 0.10000E+01 volume 0.24412E-02 ppm1 0.918 ppm2 1.377 CV 1 ASSI { 213} (( segid "SID " and resid 220 and name HG )) ( segid "SID " and resid 220 and name HD2%) 2.300 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.61431E-02 ppm1 0.920 ppm2 1.606 CV 1 ASSI { 215} (( segid "HID " and resid 677 and name HA )) ( segid "SID " and resid 220 and name HD2%) 4.800 2.900 1.200 peak 215 spectrum 1 weight 0.10000E+01 volume 0.24012E-03 ppm1 0.917 ppm2 4.692 CV 1 ASSI { 217} (( segid "HID " and resid 680 and name HA )) ( segid "SID " and resid 220 and name HD2%) 3.800 1.800 1.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.81240E-03 ppm1 0.917 ppm2 4.359 CV 1 ASSI { 218} (( segid "HID " and resid 680 and name HB1 )) ( segid "SID " and resid 220 and name HD2%) 3.600 1.700 1.700 peak 218 spectrum 1 weight 0.10000E+01 volume 0.51626E-03 ppm1 0.920 ppm2 2.675 CV 1 ASSI { 219} (( segid "HID " and resid 680 and name HB2 )) ( segid "SID " and resid 220 and name HD2%) 3.800 1.800 1.800 peak 219 spectrum 1 weight 0.10000E+01 volume 0.44022E-03 ppm1 0.921 ppm2 2.383 CV 1 ASSI { 220} ( segid "HID " and resid 681 and name HD1%) ( segid "SID " and resid 220 and name HD2%) 2.800 2.800 3.200 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11566E-02 ppm1 0.916 ppm2 0.186 CV 1 ASSI { 222} (( segid "SID " and resid 221 and name HD1 )) (( segid "SID " and resid 221 and name HA )) 4.500 2.500 1.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.27614E-03 ppm1 4.060 ppm2 3.212 CV 1 OR { 222} (( segid "SID " and resid 221 and name HD2 )) (( segid "SID " and resid 221 and name HA )) ASSI { 226} (( segid "SID " and resid 221 and name HB2 )) (( segid "SID " and resid 221 and name HG1 )) 2.000 0.500 0.500 peak 226 spectrum 1 weight 0.10000E+01 volume 0.14127E-01 ppm1 1.805 ppm2 1.967 CV 1 OR { 226} (( segid "SID " and resid 221 and name HB1 )) (( segid "SID " and resid 221 and name HG1 )) ASSI { 227} (( segid "SID " and resid 221 and name HD1 )) (( segid "SID " and resid 221 and name HG1 )) 2.400 0.700 0.700 peak 227 spectrum 1 weight 0.10000E+01 volume 0.46023E-02 ppm1 1.802 ppm2 3.210 CV 1 OR { 227} (( segid "SID " and resid 221 and name HD2 )) (( segid "SID " and resid 221 and name HG1 )) ASSI { 228} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 221 and name HG2 )) 2.700 2.700 3.300 peak 228 spectrum 1 weight 0.10000E+01 volume 0.16588E-02 ppm1 1.620 ppm2 0.933 CV 1 ASSI { 229} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 221 and name HG2 )) 2.900 1.000 1.000 peak 229 spectrum 1 weight 0.10000E+01 volume 0.16528E-02 ppm1 1.609 ppm2 4.059 CV 1 ASSI { 230} (( segid "SID " and resid 221 and name HG1 )) (( segid "SID " and resid 221 and name HG2 )) 1.800 0.400 0.400 peak 230 spectrum 1 weight 0.10000E+01 volume 0.13747E-01 ppm1 1.610 ppm2 1.798 CV 1 ASSI { 231} (( segid "SID " and resid 221 and name HB1 )) (( segid "SID " and resid 221 and name HG2 )) 2.400 0.700 0.700 peak 231 spectrum 1 weight 0.10000E+01 volume 0.63030E-02 ppm1 1.609 ppm2 1.973 CV 1 OR { 231} (( segid "SID " and resid 221 and name HB2 )) (( segid "SID " and resid 221 and name HG2 )) ASSI { 232} (( segid "SID " and resid 221 and name HD2 )) (( segid "SID " and resid 221 and name HG2 )) 2.400 0.700 0.700 peak 232 spectrum 1 weight 0.10000E+01 volume 0.55628E-02 ppm1 1.608 ppm2 3.212 CV 1 OR { 232} (( segid "SID " and resid 221 and name HD1 )) (( segid "SID " and resid 221 and name HG2 )) ASSI { 233} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 221 and name HB2 )) 2.100 0.600 0.600 peak 233 spectrum 1 weight 0.10000E+01 volume 0.10766E-01 ppm1 1.988 ppm2 4.033 CV 1 OR { 233} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 221 and name HB1 )) ASSI { 234} (( segid "SID " and resid 222 and name HB )) (( segid "SID " and resid 222 and name HA )) 3.800 1.800 1.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.36819E-03 ppm1 4.286 ppm2 3.874 CV 1 ASSI { 236} (( segid "SID " and resid 225 and name HB2 )) (( segid "SID " and resid 222 and name HA )) 4.700 2.700 1.300 peak 236 spectrum 1 weight 0.10000E+01 volume 0.77642E-04 ppm1 4.283 ppm2 1.782 CV 1 ASSI { 239} (( segid "SID " and resid 222 and name HA )) ( segid "SID " and resid 222 and name HG2%) 2.300 0.600 0.600 peak 239 spectrum 1 weight 0.10000E+01 volume 0.89846E-02 ppm1 1.210 ppm2 4.276 CV 1 ASSI { 240} (( segid "SID " and resid 222 and name HB )) ( segid "SID " and resid 222 and name HG2%) 2.400 0.700 0.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.48424E-02 ppm1 1.211 ppm2 3.892 CV 1 ASSI { 241} ( segid "HID " and resid 695 and name HD1%) ( segid "SID " and resid 222 and name HG2%) 2.000 0.500 0.500 peak 241 spectrum 1 weight 0.10000E+01 volume 0.13547E-01 ppm1 1.210 ppm2 0.865 CV 1 ASSI { 244} (( segid "HID " and resid 695 and name HG11)) ( segid "SID " and resid 222 and name HG2%) 3.300 1.300 1.300 peak 244 spectrum 1 weight 0.10000E+01 volume 0.24613E-02 ppm1 1.210 ppm2 1.748 CV 1 ASSI { 245} ( segid "HID " and resid 691 and name HG2%) (( segid "SID " and resid 223 and name HA )) 2.700 0.900 0.900 peak 245 spectrum 1 weight 0.10000E+01 volume 0.19390E-02 ppm1 4.040 ppm2 0.856 CV 1 ASSI { 247} ( segid "SID " and resid 223 and name HD2%) (( segid "SID " and resid 223 and name HA )) 2.700 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.24412E-02 ppm1 4.035 ppm2 0.787 CV 1 ASSI { 248} (( segid "SID " and resid 223 and name HB1 )) (( segid "SID " and resid 223 and name HA )) 2.700 0.900 0.900 peak 248 spectrum 1 weight 0.10000E+01 volume 0.26614E-02 ppm1 4.036 ppm2 1.666 CV 1 OR { 248} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 223 and name HA )) ASSI { 250} ( segid "SID " and resid 223 and name HD1%) (( segid "SID " and resid 223 and name HG )) 2.200 0.600 0.600 peak 250 spectrum 1 weight 0.10000E+01 volume 0.66032E-02 ppm1 1.813 ppm2 0.791 CV 1 OR { 250} ( segid "SID " and resid 223 and name HD2%) (( segid "SID " and resid 223 and name HG )) ASSI { 251} (( segid "SID " and resid 220 and name HA )) ( segid "SID " and resid 223 and name HD1%) 3.200 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.78037E-03 ppm1 0.799 ppm2 3.870 CV 1 ASSI { 253} ( segid "HID " and resid 692 and name HB% ) ( segid "SID " and resid 223 and name HD1%) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.41020E-02 ppm1 0.801 ppm2 1.237 CV 1 ASSI { 255} (( segid "SID " and resid 223 and name HG )) ( segid "SID " and resid 223 and name HD1%) 2.300 0.600 0.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.65036E-02 ppm1 0.801 ppm2 1.799 CV 1 ASSI { 256} (( segid "SID " and resid 223 and name HB2 )) ( segid "SID " and resid 223 and name HD1%) 2.200 0.600 0.600 peak 256 spectrum 1 weight 0.10000E+01 volume 0.79240E-02 ppm1 0.800 ppm2 1.667 CV 1 OR { 256} (( segid "SID " and resid 223 and name HB1 )) ( segid "SID " and resid 223 and name HD1%) ASSI { 257} ( segid "HID " and resid 681 and name HD1%) ( segid "SID " and resid 223 and name HD1%) 2.500 0.800 0.800 peak 257 spectrum 1 weight 0.10000E+01 volume 0.43422E-02 ppm1 0.800 ppm2 0.190 CV 1 ASSI { 258} ( segid "HID " and resid 681 and name HG2%) ( segid "SID " and resid 223 and name HD1%) 3.000 1.100 1.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.22011E-02 ppm1 0.802 ppm2 0.507 CV 1 ASSI { 260} (( segid "HID " and resid 684 and name HA1 )) ( segid "SID " and resid 223 and name HD1%) 3.000 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.11466E-02 ppm1 0.798 ppm2 3.955 CV 1 ASSI { 264} (( segid "SID " and resid 223 and name HG )) ( segid "SID " and resid 223 and name HD2%) 2.200 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.65230E-02 ppm1 0.780 ppm2 1.801 CV 1 ASSI { 265} (( segid "SID " and resid 223 and name HB1 )) ( segid "SID " and resid 223 and name HD2%) 2.300 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.74438E-02 ppm1 0.782 ppm2 1.663 CV 1 OR { 265} (( segid "SID " and resid 223 and name HB2 )) ( segid "SID " and resid 223 and name HD2%) ASSI { 266} ( segid "HID " and resid 681 and name HD1%) ( segid "SID " and resid 223 and name HD2%) 2.900 1.000 1.000 peak 266 spectrum 1 weight 0.10000E+01 volume 0.25413E-02 ppm1 0.784 ppm2 0.187 CV 1 ASSI { 267} ( segid "HID " and resid 681 and name HG2%) ( segid "SID " and resid 223 and name HD2%) 2.800 1.000 1.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.27014E-02 ppm1 0.781 ppm2 0.518 CV 1 ASSI { 269} (( segid "HID " and resid 688 and name HB1 )) ( segid "SID " and resid 223 and name HD2%) 3.600 1.600 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.80444E-03 ppm1 0.784 ppm2 3.007 CV 1 ASSI { 270} (( segid "HID " and resid 688 and name HB2 )) ( segid "SID " and resid 223 and name HD2%) 3.800 1.800 1.800 peak 270 spectrum 1 weight 0.10000E+01 volume 0.37819E-03 ppm1 0.777 ppm2 2.521 CV 1 ASSI { 271} (( segid "HID " and resid 691 and name HA )) ( segid "SID " and resid 223 and name HD2%) 3.200 1.300 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.18309E-02 ppm1 0.779 ppm2 4.221 CV 1 ASSI { 275} ( segid "SID " and resid 223 and name HD1%) (( segid "SID " and resid 223 and name HB2 )) 2.600 0.800 0.800 peak 275 spectrum 1 weight 0.10000E+01 volume 0.35018E-02 ppm1 1.680 ppm2 0.791 CV 1 OR { 275} ( segid "SID " and resid 223 and name HD2%) (( segid "SID " and resid 223 and name HB1 )) OR { 275} ( segid "SID " and resid 223 and name HD1%) (( segid "SID " and resid 223 and name HB1 )) ASSI { 276} (( segid "SID " and resid 224 and name HB1 )) (( segid "SID " and resid 224 and name HA )) 2.600 0.800 0.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.40020E-02 ppm1 4.616 ppm2 2.954 CV 1 ASSI { 277} (( segid "SID " and resid 224 and name HB2 )) (( segid "SID " and resid 224 and name HA )) 2.500 0.800 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.46223E-02 ppm1 4.616 ppm2 2.794 CV 1 ASSI { 279} (( segid "SID " and resid 223 and name HB1 )) (( segid "SID " and resid 224 and name HA )) 3.500 1.500 1.500 peak 279 spectrum 1 weight 0.10000E+01 volume 0.68834E-03 ppm1 4.615 ppm2 1.665 CV 1 OR { 279} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 224 and name HA )) ASSI { 280} (( segid "SID " and resid 225 and name HG2 )) (( segid "SID " and resid 224 and name HA )) 4.200 2.300 1.800 peak 280 spectrum 1 weight 0.10000E+01 volume 0.26414E-03 ppm1 4.617 ppm2 1.448 CV 1 OR { 280} (( segid "SID " and resid 225 and name HG1 )) (( segid "SID " and resid 224 and name HA )) ASSI { 281} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 224 and name HB1 )) 4.900 3.000 1.100 peak 281 spectrum 1 weight 0.10000E+01 volume 0.11946E-03 ppm1 2.974 ppm2 4.067 CV 1 ASSI { 283} (( segid "SID " and resid 224 and name HB2 )) (( segid "SID " and resid 224 and name HB1 )) 1.600 0.300 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.27213E-01 ppm1 2.955 ppm2 2.791 CV 1 ASSI { 284} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 224 and name HB2 )) 3.600 1.700 1.700 peak 284 spectrum 1 weight 0.10000E+01 volume 0.46423E-03 ppm1 2.792 ppm2 4.050 CV 1 ASSI { 287} ( segid "SID " and resid 226 and name HD2%) (( segid "SID " and resid 226 and name HA )) 2.300 0.700 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.80243E-02 ppm1 4.380 ppm2 0.887 CV 1 ASSI { 288} (( segid "SID " and resid 226 and name HB2 )) (( segid "SID " and resid 226 and name HA )) 2.200 0.600 0.600 peak 288 spectrum 1 weight 0.10000E+01 volume 0.91044E-02 ppm1 4.380 ppm2 1.609 CV 1 OR { 288} (( segid "SID " and resid 226 and name HB1 )) (( segid "SID " and resid 226 and name HA )) OR { 288} (( segid "SID " and resid 226 and name HG )) (( segid "SID " and resid 226 and name HA )) ASSI { 289} (( segid "SID " and resid 223 and name HA )) ( segid "SID " and resid 226 and name HD1%) 3.200 3.200 2.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.17349E-02 ppm1 0.940 ppm2 4.051 CV 1 ASSI { 290} (( segid "SID " and resid 226 and name HA )) ( segid "SID " and resid 226 and name HD1%) 2.600 2.600 3.400 peak 290 spectrum 1 weight 0.10000E+01 volume 0.39020E-02 ppm1 0.940 ppm2 4.372 CV 1 ASSI { 291} (( segid "SID " and resid 226 and name HG )) ( segid "SID " and resid 226 and name HD1%) 1.900 0.500 0.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.20410E-01 ppm1 0.941 ppm2 1.609 CV 1 OR { 291} (( segid "SID " and resid 226 and name HB2 )) ( segid "SID " and resid 226 and name HD1%) ASSI { 292} (( segid "HID " and resid 691 and name HA )) ( segid "SID " and resid 226 and name HD1%) 3.200 1.300 1.300 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13527E-02 ppm1 0.940 ppm2 4.201 CV 1 ASSI { 293} (( segid "SID " and resid 223 and name HA )) ( segid "SID " and resid 226 and name HD2%) 3.600 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10305E-02 ppm1 0.874 ppm2 4.049 CV 1 ASSI { 296} (( segid "HID " and resid 691 and name HA )) ( segid "SID " and resid 226 and name HD2%) 3.300 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.10445E-02 ppm1 0.883 ppm2 4.208 CV 1 ASSI { 297} (( segid "SID " and resid 223 and name HA )) (( segid "SID " and resid 226 and name HB2 )) 3.400 1.400 1.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.11586E-02 ppm1 1.607 ppm2 4.050 CV 1 OR { 297} (( segid "SID " and resid 223 and name HA )) (( segid "SID " and resid 226 and name HB1 )) ASSI { 298} (( segid "SID " and resid 226 and name HA )) (( segid "SID " and resid 226 and name HB2 )) 2.400 0.700 0.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.52827E-02 ppm1 1.609 ppm2 4.373 CV 1 OR { 298} (( segid "SID " and resid 226 and name HA )) (( segid "SID " and resid 226 and name HB1 )) ASSI { 299} (( segid "SID " and resid 228 and name HB2 )) (( segid "SID " and resid 228 and name HA )) 2.900 1.000 1.000 peak 299 spectrum 1 weight 0.10000E+01 volume 0.20610E-02 ppm1 4.249 ppm2 3.831 CV 1 OR { 299} (( segid "SID " and resid 228 and name HB1 )) (( segid "SID " and resid 228 and name HA )) ASSI { 300} (( segid "HID " and resid 703 and name HE1 )) ( segid "SID " and resid 211 and name HD2%) 3.100 1.200 1.200 peak 300 spectrum 1 weight 0.10000E+01 volume 0.13407E-02 ppm1 0.703 ppm2 2.870 CV 1 ASSI { 301} (( segid "HID " and resid 703 and name HE2 )) ( segid "SID " and resid 211 and name HD2%) 2.600 0.800 0.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.34818E-02 ppm1 0.700 ppm2 2.745 CV 1 ASSI { 302} (( segid "HID " and resid 702 and name HG2 )) ( segid "SID " and resid 211 and name HD2%) 3.700 1.700 1.700 peak 302 spectrum 1 weight 0.10000E+01 volume 0.66634E-03 ppm1 0.702 ppm2 2.521 CV 1 ASSI { 303} ( segid "HID " and resid 674 and name HD% ) ( segid "SID " and resid 216 and name HG2%) 2.900 1.000 1.000 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15088E-02 ppm1 1.090 ppm2 -0.897 CV 1 ASSI { 304} ( segid "HID " and resid 674 and name HE% ) ( segid "SID " and resid 216 and name HG2%) 3.900 1.900 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.51626E-03 ppm1 1.091 ppm2 -1.296 CV 1 ASSI { 305} (( segid "SID " and resid 211 and name HB1 )) ( segid "SID " and resid 216 and name HD1%) 3.300 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.17229E-02 ppm1 1.009 ppm2 1.670 CV 1 ASSI { 306} ( segid "SID " and resid 216 and name HG2%) ( segid "SID " and resid 217 and name HE% ) 3.500 1.500 1.500 peak 306 spectrum 1 weight 0.10000E+01 volume 0.79441E-03 ppm1 2.085 ppm2 1.081 CV 1 ASSI { 1} (( segid "SID " and resid 205 and name HA )) (( segid "SID " and resid 205 and name HN )) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.68799E-02 ppm1 8.169 ppm2 4.235 CV 1 ASSI { 4} ( segid "SID " and resid 205 and name HB% ) (( segid "SID " and resid 206 and name HN )) 3.300 1.400 1.400 peak 4 spectrum 1 weight 0.10000E+01 volume 0.19376E-02 ppm1 8.155 ppm2 1.300 CV 1 ASSI { 6} (( segid "SID " and resid 206 and name HB1 )) (( segid "SID " and resid 206 and name HN )) 2.900 1.100 1.100 peak 6 spectrum 1 weight 0.10000E+01 volume 0.28222E-02 ppm1 8.154 ppm2 2.049 CV 1 ASSI { 7} (( segid "SID " and resid 206 and name HB2 )) (( segid "SID " and resid 206 and name HN )) 2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.44229E-02 ppm1 8.153 ppm2 1.944 CV 1 ASSI { 8} (( segid "SID " and resid 206 and name HG1 )) (( segid "SID " and resid 206 and name HN )) 3.300 1.400 1.400 peak 8 spectrum 1 weight 0.10000E+01 volume 0.17551E-02 ppm1 8.154 ppm2 2.313 CV 1 OR { 8} (( segid "SID " and resid 206 and name HG2 )) (( segid "SID " and resid 206 and name HN )) ASSI { 9} (( segid "SID " and resid 206 and name HA )) (( segid "SID " and resid 207 and name HN )) 2.100 0.500 0.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.13662E-01 ppm1 8.026 ppm2 4.275 CV 1 ASSI { 10} (( segid "SID " and resid 206 and name HB1 )) (( segid "SID " and resid 207 and name HN )) 3.500 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.16568E-02 ppm1 8.029 ppm2 2.046 CV 1 ASSI { 11} (( segid "SID " and resid 206 and name HB2 )) (( segid "SID " and resid 207 and name HN )) 4.200 2.200 1.800 peak 11 spectrum 1 weight 0.10000E+01 volume 0.67118E-03 ppm1 8.025 ppm2 1.949 CV 1 ASSI { 12} (( segid "SID " and resid 206 and name HG2 )) (( segid "SID " and resid 207 and name HN )) 4.000 2.000 2.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.64729E-03 ppm1 8.026 ppm2 2.314 CV 1 OR { 12} (( segid "SID " and resid 206 and name HG1 )) (( segid "SID " and resid 207 and name HN )) ASSI { 13} (( segid "SID " and resid 207 and name HA )) (( segid "SID " and resid 207 and name HN )) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.58971E-02 ppm1 8.027 ppm2 4.173 CV 1 ASSI { 14} (( segid "SID " and resid 207 and name HB1 )) (( segid "SID " and resid 207 and name HN )) 2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.57427E-02 ppm1 8.026 ppm2 1.180 CV 1 ASSI { 15} (( segid "SID " and resid 207 and name HB2 )) (( segid "SID " and resid 207 and name HN )) 2.600 2.600 3.400 peak 15 spectrum 1 weight 0.10000E+01 volume 0.35523E-02 ppm1 8.025 ppm2 1.021 CV 1 ASSI { 16} (( segid "SID " and resid 207 and name HG )) (( segid "SID " and resid 207 and name HN )) 2.600 0.900 0.900 peak 16 spectrum 1 weight 0.10000E+01 volume 0.35664E-02 ppm1 8.027 ppm2 1.330 CV 1 ASSI { 17} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 207 and name HN )) 3.400 1.500 1.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.18253E-02 ppm1 8.026 ppm2 0.722 CV 1 OR { 17} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 207 and name HN )) ASSI { 18} (( segid "SID " and resid 208 and name HB2 )) (( segid "SID " and resid 208 and name HD21)) 3.500 1.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.79470E-03 ppm1 7.701 ppm2 2.743 CV 1 ASSI { 19} (( segid "SID " and resid 208 and name HD22)) (( segid "SID " and resid 208 and name HD21)) 1.700 0.400 0.500 peak 19 spectrum 1 weight 0.10000E+01 volume 0.20500E-01 ppm1 7.694 ppm2 6.889 CV 1 ASSI { 21} (( segid "SID " and resid 207 and name HA )) (( segid "SID " and resid 208 and name HN )) 2.200 0.600 0.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.10531E-01 ppm1 8.849 ppm2 4.171 CV 1 ASSI { 22} (( segid "SID " and resid 207 and name HB1 )) (( segid "SID " and resid 208 and name HN )) 3.700 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.61496E-03 ppm1 8.860 ppm2 1.178 CV 1 ASSI { 23} (( segid "SID " and resid 207 and name HB2 )) (( segid "SID " and resid 208 and name HN )) 4.000 2.000 2.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.62764E-03 ppm1 8.858 ppm2 1.024 CV 1 ASSI { 24} ( segid "SID " and resid 207 and name HD2%) (( segid "SID " and resid 208 and name HN )) 4.300 2.300 1.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.69082E-03 ppm1 8.845 ppm2 0.736 CV 1 OR { 24} ( segid "SID " and resid 207 and name HD1%) (( segid "SID " and resid 208 and name HN )) ASSI { 25} (( segid "SID " and resid 208 and name HA )) (( segid "SID " and resid 208 and name HN )) 3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.20500E-02 ppm1 8.846 ppm2 4.746 CV 1 ASSI { 26} (( segid "SID " and resid 208 and name HB1 )) (( segid "SID " and resid 208 and name HN )) 3.200 1.200 1.200 peak 26 spectrum 1 weight 0.10000E+01 volume 0.21763E-02 ppm1 8.852 ppm2 2.901 CV 1 ASSI { 27} (( segid "SID " and resid 208 and name HB2 )) (( segid "SID " and resid 208 and name HN )) 2.900 1.000 1.000 peak 27 spectrum 1 weight 0.10000E+01 volume 0.22185E-02 ppm1 8.845 ppm2 2.736 CV 1 ASSI { 28} (( segid "SID " and resid 210 and name HA )) (( segid "SID " and resid 210 and name HN )) 3.400 1.400 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.84384E-03 ppm1 7.373 ppm2 4.455 CV 1 ASSI { 29} (( segid "SID " and resid 210 and name HB2 )) (( segid "SID " and resid 210 and name HN )) 2.500 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.51249E-02 ppm1 7.373 ppm2 1.721 CV 1 ASSI { 30} (( segid "SID " and resid 210 and name HB1 )) (( segid "SID " and resid 210 and name HN )) 2.600 0.800 0.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.65850E-02 ppm1 7.373 ppm2 1.868 CV 1 OR { 30} (( segid "SID " and resid 210 and name HG )) (( segid "SID " and resid 210 and name HN )) ASSI { 31} ( segid "SID " and resid 210 and name HD1%) (( segid "SID " and resid 210 and name HN )) 3.600 1.600 1.600 peak 31 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 7.378 ppm2 1.010 CV 1 ASSI { 32} (( segid "SID " and resid 210 and name HB1 )) (( segid "SID " and resid 211 and name HN )) 3.400 1.400 1.400 peak 32 spectrum 1 weight 0.10000E+01 volume 0.12426E-02 ppm1 8.288 ppm2 1.858 CV 1 OR { 32} (( segid "SID " and resid 210 and name HG )) (( segid "SID " and resid 211 and name HN )) ASSI { 33} ( segid "SID " and resid 210 and name HD2%) (( segid "SID " and resid 211 and name HN )) 3.800 1.800 1.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10924E-02 ppm1 8.300 ppm2 0.919 CV 1 ASSI { 36} (( segid "SID " and resid 211 and name HB2 )) (( segid "SID " and resid 211 and name HN )) 2.600 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.25695E-02 ppm1 8.303 ppm2 1.415 CV 1 ASSI { 37} ( segid "SID " and resid 211 and name HD2%) (( segid "SID " and resid 211 and name HN )) 4.100 2.100 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.54760E-03 ppm1 8.297 ppm2 0.698 CV 1 ASSI { 38} (( segid "SID " and resid 211 and name HA )) (( segid "SID " and resid 212 and name HN )) 2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.22044E-02 ppm1 8.357 ppm2 4.463 CV 1 ASSI { 39} (( segid "SID " and resid 211 and name HB1 )) (( segid "SID " and resid 212 and name HN )) 3.000 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12174E-02 ppm1 8.364 ppm2 1.677 CV 1 ASSI { 40} ( segid "SID " and resid 211 and name HD2%) (( segid "SID " and resid 212 and name HN )) 4.600 2.600 1.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.35664E-03 ppm1 8.354 ppm2 0.719 CV 1 ASSI { 41} (( segid "SID " and resid 212 and name HA )) (( segid "SID " and resid 212 and name HN )) 3.500 1.600 1.600 peak 41 spectrum 1 weight 0.10000E+01 volume 0.61779E-03 ppm1 8.351 ppm2 4.329 CV 1 ASSI { 42} ( segid "SID " and resid 212 and name HG2%) (( segid "SID " and resid 212 and name HN )) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.38191E-02 ppm1 8.356 ppm2 1.283 CV 1 ASSI { 43} (( segid "SID " and resid 212 and name HB )) (( segid "SID " and resid 213 and name HN )) 2.900 1.100 1.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.19376E-02 ppm1 8.914 ppm2 4.717 CV 1 ASSI { 44} ( segid "SID " and resid 212 and name HG2%) (( segid "SID " and resid 213 and name HN )) 4.100 2.100 1.900 peak 44 spectrum 1 weight 0.10000E+01 volume 0.87617E-03 ppm1 8.915 ppm2 1.281 CV 1 ASSI { 46} (( segid "SID " and resid 213 and name HB2 )) (( segid "SID " and resid 213 and name HN )) 2.500 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.57848E-02 ppm1 8.917 ppm2 2.662 CV 1 OR { 46} (( segid "SID " and resid 213 and name HB1 )) (( segid "SID " and resid 213 and name HN )) ASSI { 47} (( segid "SID " and resid 214 and name HN )) (( segid "SID " and resid 213 and name HN )) 2.900 1.000 1.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.18534E-02 ppm1 8.912 ppm2 8.503 CV 1 ASSI { 48} (( segid "SID " and resid 212 and name HB )) (( segid "SID " and resid 214 and name HN )) 3.100 1.200 1.200 peak 48 spectrum 1 weight 0.10000E+01 volume 0.11570E-02 ppm1 8.506 ppm2 4.719 CV 1 ASSI { 51} (( segid "SID " and resid 213 and name HB2 )) (( segid "SID " and resid 214 and name HN )) 2.700 0.900 0.900 peak 51 spectrum 1 weight 0.10000E+01 volume 0.40297E-02 ppm1 8.510 ppm2 2.666 CV 1 OR { 51} (( segid "SID " and resid 213 and name HB1 )) (( segid "SID " and resid 214 and name HN )) ASSI { 52} (( segid "SID " and resid 214 and name HA )) (( segid "SID " and resid 214 and name HN )) 2.700 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.41842E-02 ppm1 8.508 ppm2 4.009 CV 1 ASSI { 53} (( segid "SID " and resid 214 and name HB1 )) (( segid "SID " and resid 214 and name HN )) 2.300 0.700 0.700 peak 53 spectrum 1 weight 0.10000E+01 volume 0.67820E-02 ppm1 8.510 ppm2 2.033 CV 1 ASSI { 54} (( segid "SID " and resid 214 and name HB2 )) (( segid "SID " and resid 214 and name HN )) 2.400 0.700 0.700 peak 54 spectrum 1 weight 0.10000E+01 volume 0.53776E-02 ppm1 8.508 ppm2 1.958 CV 1 ASSI { 56} (( segid "SID " and resid 215 and name HN )) (( segid "SID " and resid 214 and name HN )) 3.100 1.200 1.200 peak 56 spectrum 1 weight 0.10000E+01 volume 0.12019E-02 ppm1 8.511 ppm2 7.713 CV 1 ASSI { 57} (( segid "SID " and resid 214 and name HB1 )) (( segid "SID " and resid 215 and name HN )) 2.900 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.12552E-02 ppm1 7.715 ppm2 2.036 CV 1 ASSI { 58} (( segid "SID " and resid 214 and name HB2 )) (( segid "SID " and resid 215 and name HN )) 4.300 2.300 1.700 peak 58 spectrum 1 weight 0.10000E+01 volume 0.10166E-02 ppm1 7.709 ppm2 1.955 CV 1 ASSI { 61} (( segid "SID " and resid 215 and name HB2 )) (( segid "SID " and resid 215 and name HN )) 2.900 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.18955E-02 ppm1 7.710 ppm2 2.361 CV 1 OR { 61} (( segid "SID " and resid 215 and name HB1 )) (( segid "SID " and resid 215 and name HN )) ASSI { 62} (( segid "SID " and resid 215 and name HG1 )) (( segid "SID " and resid 215 and name HN )) 2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.32154E-02 ppm1 7.711 ppm2 2.498 CV 1 OR { 62} (( segid "SID " and resid 215 and name HG2 )) (( segid "SID " and resid 215 and name HN )) ASSI { 63} (( segid "SID " and resid 216 and name HN )) (( segid "SID " and resid 215 and name HN )) 3.000 1.100 1.100 peak 63 spectrum 1 weight 0.10000E+01 volume 0.13367E-02 ppm1 7.711 ppm2 8.271 CV 1 ASSI { 64} (( segid "SID " and resid 216 and name HA )) (( segid "SID " and resid 216 and name HN )) 3.500 1.500 1.500 peak 64 spectrum 1 weight 0.10000E+01 volume 0.62198E-03 ppm1 8.272 ppm2 3.657 CV 1 ASSI { 65} (( segid "SID " and resid 216 and name HB )) (( segid "SID " and resid 216 and name HN )) 2.400 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.48160E-02 ppm1 8.265 ppm2 2.009 CV 1 ASSI { 66} (( segid "SID " and resid 216 and name HG11)) (( segid "SID " and resid 216 and name HN )) 3.000 1.100 1.100 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12089E-02 ppm1 8.265 ppm2 1.606 CV 1 ASSI { 67} (( segid "SID " and resid 216 and name HG12)) (( segid "SID " and resid 216 and name HN )) 2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.34400E-02 ppm1 8.268 ppm2 1.053 CV 1 OR { 67} ( segid "SID " and resid 216 and name HG2%) (( segid "SID " and resid 216 and name HN )) ASSI { 69} (( segid "SID " and resid 216 and name HB )) (( segid "SID " and resid 217 and name HN )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.71607E-02 ppm1 8.383 ppm2 2.013 CV 1 ASSI { 70} (( segid "SID " and resid 216 and name HN )) (( segid "SID " and resid 217 and name HN )) 2.600 0.800 0.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.40999E-02 ppm1 8.389 ppm2 8.261 CV 1 ASSI { 71} ( segid "SID " and resid 216 and name HG2%) (( segid "SID " and resid 217 and name HN )) 3.700 1.700 1.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.90283E-03 ppm1 8.388 ppm2 1.109 CV 1 ASSI { 72} (( segid "SID " and resid 217 and name HA )) (( segid "SID " and resid 217 and name HN )) 2.900 1.100 1.100 peak 72 spectrum 1 weight 0.10000E+01 volume 0.17691E-02 ppm1 8.379 ppm2 4.217 CV 1 ASSI { 73} (( segid "SID " and resid 217 and name HB2 )) (( segid "SID " and resid 217 and name HN )) 2.400 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.41280E-02 ppm1 8.386 ppm2 2.057 CV 1 ASSI { 74} (( segid "SID " and resid 217 and name HG1 )) (( segid "SID " and resid 217 and name HN )) 3.500 1.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.18113E-02 ppm1 8.386 ppm2 2.724 CV 1 ASSI { 75} (( segid "SID " and resid 217 and name HG2 )) (( segid "SID " and resid 217 and name HN )) 3.200 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.16849E-02 ppm1 8.387 ppm2 2.677 CV 1 ASSI { 76} (( segid "SID " and resid 217 and name HB1 )) (( segid "SID " and resid 217 and name HN )) 3.000 1.100 1.100 peak 76 spectrum 1 weight 0.10000E+01 volume 0.36787E-02 ppm1 8.389 ppm2 2.209 CV 1 ASSI { 78} (( segid "SID " and resid 217 and name HA )) (( segid "SID " and resid 218 and name HN )) 3.700 1.700 1.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.58129E-03 ppm1 8.060 ppm2 4.206 CV 1 ASSI { 79} (( segid "SID " and resid 217 and name HN )) (( segid "SID " and resid 218 and name HN )) 2.900 1.000 1.000 peak 79 spectrum 1 weight 0.10000E+01 volume 0.17691E-02 ppm1 8.065 ppm2 8.376 CV 1 ASSI { 82} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 218 and name HN )) 2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.81435E-02 ppm1 8.062 ppm2 2.101 CV 1 ASSI { 84} (( segid "SID " and resid 218 and name HA )) (( segid "SID " and resid 219 and name HN )) 3.800 1.800 1.800 peak 84 spectrum 1 weight 0.10000E+01 volume 0.67956E-03 ppm1 8.025 ppm2 4.010 CV 1 ASSI { 85} (( segid "SID " and resid 218 and name HB1 )) (( segid "SID " and resid 219 and name HN )) 2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.21483E-02 ppm1 8.026 ppm2 2.185 CV 1 ASSI { 86} (( segid "SID " and resid 218 and name HB2 )) (( segid "SID " and resid 219 and name HN )) 3.700 1.700 1.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.19938E-02 ppm1 8.023 ppm2 2.111 CV 1 ASSI { 87} (( segid "SID " and resid 219 and name HA )) (( segid "SID " and resid 219 and name HN )) 2.700 0.900 0.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.32013E-02 ppm1 8.025 ppm2 4.278 CV 1 ASSI { 88} (( segid "SID " and resid 219 and name HB1 )) (( segid "SID " and resid 219 and name HN )) 3.400 1.400 1.400 peak 88 spectrum 1 weight 0.10000E+01 volume 0.19657E-02 ppm1 8.020 ppm2 3.066 CV 1 ASSI { 89} (( segid "SID " and resid 219 and name HB2 )) (( segid "SID " and resid 219 and name HN )) 2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.28784E-02 ppm1 8.028 ppm2 2.376 CV 1 ASSI { 90} (( segid "SID " and resid 220 and name HN )) (( segid "SID " and resid 219 and name HN )) 3.000 1.100 1.100 peak 90 spectrum 1 weight 0.10000E+01 volume 0.14041E-02 ppm1 8.025 ppm2 8.521 CV 1 ASSI { 91} (( segid "SID " and resid 219 and name HB1 )) (( segid "SID " and resid 220 and name HN )) 3.900 1.900 1.900 peak 91 spectrum 1 weight 0.10000E+01 volume 0.54197E-03 ppm1 8.527 ppm2 3.060 CV 1 ASSI { 93} (( segid "SID " and resid 220 and name HA )) (( segid "SID " and resid 220 and name HN )) 3.400 1.500 1.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.67254E-03 ppm1 8.518 ppm2 3.873 CV 1 ASSI { 94} (( segid "SID " and resid 220 and name HB1 )) (( segid "SID " and resid 220 and name HN )) 2.900 1.000 1.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.51249E-02 ppm1 8.516 ppm2 1.919 CV 1 ASSI { 95} (( segid "SID " and resid 220 and name HB2 )) (( segid "SID " and resid 220 and name HN )) 3.200 1.300 1.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.64870E-03 ppm1 8.525 ppm2 1.377 CV 1 ASSI { 96} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 220 and name HN )) 4.300 2.300 1.700 peak 96 spectrum 1 weight 0.10000E+01 volume 0.82561E-03 ppm1 8.519 ppm2 0.931 CV 1 ASSI { 98} (( segid "SID " and resid 220 and name HN )) (( segid "SID " and resid 221 and name HN )) 2.400 0.700 0.700 peak 98 spectrum 1 weight 0.10000E+01 volume 0.55040E-02 ppm1 8.649 ppm2 8.527 CV 1 ASSI { 99} ( segid "SID " and resid 220 and name HD2%) (( segid "SID " and resid 221 and name HN )) 3.000 3.000 3.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.73294E-03 ppm1 8.647 ppm2 0.919 CV 1 ASSI { 100} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 221 and name HN )) 2.700 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.30609E-02 ppm1 8.649 ppm2 4.069 CV 1 ASSI { 101} (( segid "SID " and resid 221 and name HG1 )) (( segid "SID " and resid 221 and name HN )) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 8.647 ppm2 1.838 CV 1 ASSI { 102} (( segid "SID " and resid 221 and name HG2 )) (( segid "SID " and resid 221 and name HN )) 3.500 1.500 1.500 peak 102 spectrum 1 weight 0.10000E+01 volume 0.95757E-03 ppm1 8.650 ppm2 1.635 CV 1 ASSI { 103} (( segid "SID " and resid 221 and name HB1 )) (( segid "SID " and resid 221 and name HN )) 2.300 0.600 0.600 peak 103 spectrum 1 weight 0.10000E+01 volume 0.84242E-02 ppm1 8.647 ppm2 2.005 CV 1 OR { 103} (( segid "SID " and resid 221 and name HB2 )) (( segid "SID " and resid 221 and name HN )) ASSI { 104} (( segid "SID " and resid 222 and name HN )) (( segid "SID " and resid 221 and name HN )) 3.000 1.100 1.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.12820E-02 ppm1 8.647 ppm2 8.186 CV 1 ASSI { 105} (( segid "SID " and resid 221 and name HA )) (( segid "SID " and resid 222 and name HN )) 3.600 1.600 1.600 peak 105 spectrum 1 weight 0.10000E+01 volume 0.90843E-03 ppm1 8.185 ppm2 4.049 CV 1 ASSI { 107} (( segid "SID " and resid 221 and name HB1 )) (( segid "SID " and resid 222 and name HN )) 2.700 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.34541E-02 ppm1 8.180 ppm2 2.005 CV 1 OR { 107} (( segid "SID " and resid 221 and name HB2 )) (( segid "SID " and resid 222 and name HN )) ASSI { 109} (( segid "SID " and resid 222 and name HB )) (( segid "SID " and resid 222 and name HN )) 2.500 0.800 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.37349E-02 ppm1 8.188 ppm2 3.911 CV 1 ASSI { 110} ( segid "SID " and resid 222 and name HG2%) (( segid "SID " and resid 222 and name HN )) 4.200 2.200 1.800 peak 110 spectrum 1 weight 0.10000E+01 volume 0.58971E-03 ppm1 8.185 ppm2 1.235 CV 1 ASSI { 111} (( segid "SID " and resid 223 and name HN )) (( segid "SID " and resid 222 and name HN )) 2.800 1.000 1.000 peak 111 spectrum 1 weight 0.10000E+01 volume 0.21342E-02 ppm1 8.181 ppm2 7.728 CV 1 ASSI { 115} (( segid "SID " and resid 223 and name HA )) (( segid "SID " and resid 223 and name HN )) 2.900 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.16989E-02 ppm1 7.733 ppm2 4.050 CV 1 ASSI { 116} (( segid "SID " and resid 223 and name HG )) (( segid "SID " and resid 223 and name HN )) 2.500 0.800 0.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.32715E-02 ppm1 7.734 ppm2 1.810 CV 1 ASSI { 117} ( segid "SID " and resid 223 and name HD2%) (( segid "SID " and resid 223 and name HN )) 3.700 1.700 1.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14603E-02 ppm1 7.741 ppm2 0.812 CV 1 OR { 117} ( segid "SID " and resid 223 and name HD1%) (( segid "SID " and resid 223 and name HN )) ASSI { 118} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 223 and name HN )) 2.500 0.800 0.800 peak 118 spectrum 1 weight 0.10000E+01 volume 0.52372E-02 ppm1 7.735 ppm2 1.684 CV 1 OR { 118} (( segid "SID " and resid 223 and name HB1 )) (( segid "SID " and resid 223 and name HN )) ASSI { 119} (( segid "SID " and resid 224 and name HN )) (( segid "SID " and resid 223 and name HN )) 2.600 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.32856E-02 ppm1 7.734 ppm2 8.097 CV 1 ASSI { 122} (( segid "SID " and resid 223 and name HB2 )) (( segid "SID " and resid 224 and name HN )) 2.800 1.000 1.000 peak 122 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 8.085 ppm2 1.669 CV 1 OR { 122} (( segid "SID " and resid 223 and name HB1 )) (( segid "SID " and resid 224 and name HN )) ASSI { 123} (( segid "SID " and resid 224 and name HA )) (( segid "SID " and resid 224 and name HN )) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.70203E-02 ppm1 8.085 ppm2 4.622 CV 1 ASSI { 124} (( segid "SID " and resid 224 and name HB1 )) (( segid "SID " and resid 224 and name HN )) 3.300 1.300 1.300 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17832E-02 ppm1 8.084 ppm2 2.971 CV 1 ASSI { 125} (( segid "SID " and resid 224 and name HB2 )) (( segid "SID " and resid 224 and name HN )) 2.500 0.800 0.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.41561E-02 ppm1 8.084 ppm2 2.810 CV 1 ASSI { 126} (( segid "SID " and resid 225 and name HN )) (( segid "SID " and resid 224 and name HN )) 2.300 0.700 0.700 peak 126 spectrum 1 weight 0.10000E+01 volume 0.54619E-02 ppm1 8.085 ppm2 7.944 CV 1 ASSI { 127} (( segid "SID " and resid 224 and name HA )) (( segid "SID " and resid 225 and name HN )) 3.100 1.200 1.200 peak 127 spectrum 1 weight 0.10000E+01 volume 0.20078E-02 ppm1 7.939 ppm2 4.624 CV 1 ASSI { 129} (( segid "SID " and resid 225 and name HA )) (( segid "SID " and resid 225 and name HN )) 2.600 0.900 0.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.37911E-02 ppm1 7.938 ppm2 4.321 CV 1 ASSI { 130} (( segid "SID " and resid 225 and name HB1 )) (( segid "SID " and resid 225 and name HN )) 3.100 1.200 1.200 peak 130 spectrum 1 weight 0.10000E+01 volume 0.27239E-02 ppm1 7.941 ppm2 1.961 CV 1 ASSI { 131} (( segid "SID " and resid 225 and name HB2 )) (( segid "SID " and resid 225 and name HN )) 2.400 0.700 0.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.38472E-02 ppm1 7.942 ppm2 1.774 CV 1 ASSI { 133} (( segid "SID " and resid 224 and name HB1 )) (( segid "SID " and resid 225 and name HN )) 3.500 1.500 1.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.85788E-03 ppm1 7.955 ppm2 2.969 CV 1 ASSI { 134} (( segid "SID " and resid 225 and name HG2 )) (( segid "SID " and resid 225 and name HN )) 3.000 1.100 1.100 peak 134 spectrum 1 weight 0.10000E+01 volume 0.28784E-02 ppm1 7.940 ppm2 1.449 CV 1 OR { 134} (( segid "SID " and resid 225 and name HG1 )) (( segid "SID " and resid 225 and name HN )) ASSI { 135} (( segid "SID " and resid 226 and name HN )) (( segid "SID " and resid 225 and name HN )) 2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.56164E-02 ppm1 7.944 ppm2 7.770 CV 1 ASSI { 136} (( segid "SID " and resid 225 and name HA )) (( segid "SID " and resid 226 and name HN )) 2.700 0.900 0.900 peak 136 spectrum 1 weight 0.10000E+01 volume 0.48441E-02 ppm1 7.768 ppm2 4.324 CV 1 ASSI { 138} (( segid "SID " and resid 225 and name HG2 )) (( segid "SID " and resid 226 and name HN )) 3.700 1.700 1.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.10054E-02 ppm1 7.772 ppm2 1.455 CV 1 OR { 138} (( segid "SID " and resid 225 and name HG1 )) (( segid "SID " and resid 226 and name HN )) ASSI { 139} (( segid "SID " and resid 226 and name HA )) (( segid "SID " and resid 226 and name HN )) 2.500 0.800 0.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.51530E-02 ppm1 7.769 ppm2 4.382 CV 1 ASSI { 140} ( segid "SID " and resid 226 and name HD2%) (( segid "SID " and resid 226 and name HN )) 3.600 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.15726E-02 ppm1 7.771 ppm2 0.912 CV 1 OR { 140} ( segid "SID " and resid 226 and name HD1%) (( segid "SID " and resid 226 and name HN )) ASSI { 141} (( segid "SID " and resid 226 and name HB2 )) (( segid "SID " and resid 226 and name HN )) 2.200 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.12946E-01 ppm1 7.770 ppm2 1.625 CV 1 OR { 141} (( segid "SID " and resid 226 and name HB1 )) (( segid "SID " and resid 226 and name HN )) ASSI { 142} (( segid "SID " and resid 226 and name HN )) (( segid "SID " and resid 227 and name HN )) 4.200 2.200 1.800 peak 142 spectrum 1 weight 0.10000E+01 volume 0.59673E-03 ppm1 8.124 ppm2 7.758 CV 1 ASSI { 144} (( segid "SID " and resid 227 and name HB1 )) (( segid "SID " and resid 227 and name HN )) 3.300 1.300 1.300 peak 144 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 8.121 ppm2 1.801 CV 1 OR { 144} (( segid "SID " and resid 227 and name HB2 )) (( segid "SID " and resid 227 and name HN )) ASSI { 146} (( segid "SID " and resid 227 and name HG1 )) (( segid "SID " and resid 227 and name HN )) 3.900 1.900 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.51530E-03 ppm1 8.122 ppm2 1.465 CV 1 OR { 146} (( segid "SID " and resid 227 and name HG2 )) (( segid "SID " and resid 227 and name HN )) ASSI { 147} (( segid "SID " and resid 227 and name HA )) (( segid "SID " and resid 228 and name HN )) 2.400 0.700 0.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.59957E-02 ppm1 7.912 ppm2 4.372 CV 1 ASSI { 149} (( segid "SID " and resid 228 and name HB1 )) (( segid "SID " and resid 228 and name HN )) 3.600 1.600 1.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.87056E-03 ppm1 7.914 ppm2 3.855 CV 1 OR { 149} (( segid "SID " and resid 228 and name HB2 )) (( segid "SID " and resid 228 and name HN )) ASSI { 150} (( segid "SID " and resid 220 and name HB2 )) (( segid "SID " and resid 221 and name HN )) 3.600 1.600 1.600 peak 150 spectrum 1 weight 0.10000E+01 volume 0.59113E-03 ppm1 8.645 ppm2 1.398 CV 1 ASSI { 151} (( segid "SID " and resid 224 and name HB2 )) (( segid "SID " and resid 224 and name HD21)) 3.600 1.600 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.63183E-03 ppm1 7.490 ppm2 2.817 CV 1 ASSI { 152} (( segid "SID " and resid 224 and name HB1 )) (( segid "SID " and resid 224 and name HD21)) 3.500 1.500 1.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.58831E-03 ppm1 7.487 ppm2 2.987 CV 1 ASSI { 153} (( segid "SID " and resid 224 and name HB2 )) (( segid "SID " and resid 224 and name HD22)) 5.000 3.100 1.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.30469E-03 ppm1 6.926 ppm2 2.817 CV 1 ASSI { 154} (( segid "SID " and resid 224 and name HB1 )) (( segid "SID " and resid 224 and name HD22)) 5.400 3.700 0.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.18393E-03 ppm1 6.923 ppm2 2.976 CV 1 ASSI { 155} (( segid "SID " and resid 208 and name HB2 )) (( segid "SID " and resid 208 and name HD22)) 5.200 3.400 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.22325E-03 ppm1 6.888 ppm2 2.743 CV 1 ASSI { 156} (( segid "SID " and resid 208 and name HB1 )) (( segid "SID " and resid 208 and name HD22)) 4.900 3.000 1.100 peak 156 spectrum 1 weight 0.10000E+01 volume 0.34541E-03 ppm1 6.890 ppm2 2.917 CV 1 ASSI { 157} ( segid "SID " and resid 212 and name HG2%) (( segid "SID " and resid 214 and name HN )) 4.400 2.400 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.57989E-03 ppm1 8.508 ppm2 1.282 CV 1 assi { 1 nchssfnoeb.xpk } (resid 620 and name HD* and segid HID ) (resid 207 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 2 nchssfnoeb.xpk } (resid 620 and name HD* and segid HID ) (resid 207 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 3 nchssfnoeb.xpk } (resid 620 and name HD* and segid HID ) (resid 209 and name HE# and segid SID ) 3.00 3.00 3.00 assi { 4 nchssfnoeb.xpk } (resid 623 and name HG* and segid HID ) (resid 209 and name HD# and segid SID ) 3.00 3.00 3.00 assi { 5 nchssfnoeb.xpk } (resid 623 and name HG* and segid HID ) (resid 209 and name HE# and segid SID ) 3.00 3.00 3.00 assi { 6 nchssfnoeb.xpk } (resid 673 and name HD1# and segid HID ) (resid 211 and name HG and segid SID ) 3.00 3.00 3.00 assi { 7 nchssfnoeb.xpk } (resid 673 and name HD1# and segid HID ) (resid 211 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 8 nchssfnoeb.xpk } (resid 673 and name HD1# and segid HID ) (resid 211 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 9 nchssfnoeb.xpk } (resid 673 and name HG2# and segid HID ) (resid 210 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 10 nchssfnoeb.xpk } (resid 673 and name HG2# and segid HID ) (resid 211 and name HG and segid SID ) 3.00 3.00 3.00 assi { 11 nchssfnoeb.xpk } (resid 675 and name HB# and segid HID ) (resid 210 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 12 nchssfnoeb.xpk } (resid 675 and name HB# and segid HID ) (resid 210 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 13 nchssfnoeb.xpk } (resid 675 and name HB# and segid HID ) (resid 211 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 14 nchssfnoeb.xpk } (resid 677 and name HD# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 15 nchssfnoeb.xpk } (resid 677 and name HD# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 16 nchssfnoeb.xpk } (resid 677 and name HG# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 17 nchssfnoeb.xpk } (resid 677 and name HG# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 18 nchssfnoeb.xpk } (resid 677 and name HB# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 19 nchssfnoeb.xpk } (resid 681 and name HD1# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 20 nchssfnoeb.xpk } (resid 681 and name HD1# and segid HID ) (resid 223 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 21 nchssfnoeb.xpk } (resid 681 and name HD1# and segid HID ) (resid 223 and name HB# and segid SID ) 3.00 3.00 3.00 assi { 22 nchssfnoeb.xpk } (resid 681 and name HG2# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 23 nchssfnoeb.xpk } (resid 681 and name HG2# and segid HID ) (resid 223 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 24 nchssfnoeb.xpk } (resid 691 and name HD1# and segid HID ) (resid 223 and name HB# and segid SID ) 3.00 3.00 3.00 assi { 25 nchssfnoeb.xpk } (resid 691 and name HD1# and segid HID ) (resid 226 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 26 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 222 and name HA and segid SID ) 3.00 3.00 3.00 assi { 27 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 222 and name HG2# and segid SID ) 3.00 3.00 3.00 assi { 28 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 223 and name HA and segid SID ) 3.00 3.00 3.00 assi { 29 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 223 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 30 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 223 and name HB# and segid SID ) 3.00 3.00 3.00 assi { 31 nchssfnoeb.xpk } (resid 691 and name HG2# and segid HID ) (resid 226 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 32 nchssfnoeb.xpk } (resid 692 and name HB# and segid HID ) (resid 223 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 33 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 220 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 34 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 222 and name HA and segid SID ) 3.00 3.00 3.00 assi { 35 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 222 and name HG2# and segid SID ) 3.00 3.00 3.00 assi { 36 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 223 and name HG and segid SID ) 3.00 3.00 3.00 assi { 37 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 223 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 38 nchssfnoeb.xpk } (resid 695 and name HD1# and segid HID ) (resid 223 and name HB# and segid SID ) 3.00 3.00 3.00 assi { 39 nchssfnoeb.xpk } (resid 695 and name HG2# and segid HID ) (resid 222 and name HA and segid SID ) 3.00 3.00 3.00 assi { 40 nchssfnoeb.xpk } (resid 695 and name HG2# and segid HID ) (resid 222 and name HG2# and segid SID ) 3.00 3.00 3.00 assi { 41 nchssfnoeb.xpk } (resid 695 and name HG2# and segid HID ) (resid 223 and name HB# and segid SID ) 3.00 3.00 3.00 assi { 42 nchssfnoeb.xpk } (resid 702 and name HE# and segid HID ) (resid 211 and name HG and segid SID ) 3.00 3.00 3.00 assi { 43 nchssfnoeb.xpk } (resid 702 and name HE# and segid HID ) (resid 211 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 44 nchssfnoeb.xpk } (resid 702 and name HE# and segid HID ) (resid 211 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 45 nchssfnoeb.xpk } (resid 710 and name HB# and segid HID ) (resid 207 and name HD* and segid SID ) 3.00 3.00 3.00 assi { 1 ncshsfnoe.xpk } (resid 205 and name HB# and segid SID ) (resid 710 and name HA and segid HID ) 3.00 3.00 3.00 assi { 2 ncshsfnoe.xpk } (resid 205 and name HB# and segid SID ) (resid 714 and name HD# and segid HID ) 3.00 3.00 3.00 assi { 3 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 620 and name HD* and segid HID ) 3.00 3.00 3.00 assi { 4 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 620 and name HD* and segid HID ) 3.00 3.00 3.00 assi { 5 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 710 and name HA and segid HID ) 3.00 3.00 3.00 assi { 6 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 710 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 7 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 711 and name HA and segid HID ) 3.00 3.00 3.00 assi { 8 ncshsfnoe.xpk } (resid 207 and name HD* and segid SID ) (resid 714 and name HD# and segid HID ) 3.00 3.00 3.00 assi { 9 ncshsfnoe.xpk } (resid 210 and name HD* and segid SID ) (resid 675 and name HA and segid HID ) 3.00 3.00 3.00 assi { 10 ncshsfnoe.xpk } (resid 210 and name HD* and segid SID ) (resid 675 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 11 ncshsfnoe.xpk } (resid 210 and name HD* and segid SID ) (resid 675 and name HA and segid HID ) 3.00 3.00 3.00 assi { 12 ncshsfnoe.xpk } (resid 210 and name HD* and segid SID ) (resid 675 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 13 ncshsfnoe.xpk } (resid 211 and name HD* and segid SID ) (resid 702 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 14 ncshsfnoe.xpk } (resid 211 and name HD* and segid SID ) (resid 702 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 15 ncshsfnoe.xpk } (resid 216 and name HG2# and segid SID ) (resid 674 and name HD# and segid HID ) 3.00 3.00 3.00 assi { 16 ncshsfnoe.xpk } (resid 216 and name HG2# and segid SID ) ((resid 675 and name HB# and segid HID ) or (resid 677 and name HG# and segid HID )) 3.00 3.00 3.00 assi { 17 ncshsfnoe.xpk } (resid 216 and name HG2# and segid SID ) (resid 677 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 18 ncshsfnoe.xpk } (resid 217 and name HE# and segid SID ) (resid 677 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 19 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) ((resid 675 and name HB# and segid HID ) or (resid 677 and name HG# and segid HID )) 3.00 3.00 3.00 assi { 20 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) (resid 677 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 21 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) (resid 680 and name HA and segid HID ) 3.00 3.00 3.00 assi { 22 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) (resid 680 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 23 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) (resid 681 and name HD1# and segid HID ) 3.00 3.00 3.00 assi { 24 ncshsfnoe.xpk } (resid 220 and name HD* and segid SID ) (resid 677 and name HE# and segid HID ) 3.00 3.00 3.00 assi { 25 ncshsfnoe.xpk } (resid 222 and name HG2# and segid SID ) ((resid 691 and name HG2# and segid HID ) or (resid 695 and name HD1# and segid HID )) 3.00 3.00 3.00 assi { 26 ncshsfnoe.xpk } (resid 222 and name HG2# and segid SID ) (resid 692 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 27 ncshsfnoe.xpk } (resid 222 and name HG2# and segid SID ) (resid 695 and name HA and segid HID ) 3.00 3.00 3.00 assi { 28 ncshsfnoe.xpk } (resid 222 and name HG2# and segid SID ) (resid 695 and name HG1# and segid HID ) 3.00 3.00 3.00 assi { 29 ncshsfnoe.xpk } (resid 223 and name HG and segid SID ) (resid 691 and name HG2# and segid HID ) 3.00 3.00 3.00 assi { 30 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) (resid 681 and name HD1# and segid HID ) 3.00 3.00 3.00 assi { 31 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) ((resid 681 and name HA and segid HID ) or (resid 684 and name HA# and segid HID )) 3.00 3.00 3.00 assi { 32 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) (resid 691 and name HB and segid HID ) 3.00 3.00 3.00 assi { 33 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) ((resid 691 and name HG2# and segid HID ) or (resid 695 and name HD1# and segid HID )) 3.00 3.00 3.00 assi { 34 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) (resid 692 and name HA and segid HID ) 3.00 3.00 3.00 assi { 35 ncshsfnoe.xpk } (resid 223 and name HD* and segid SID ) (resid 692 and name HB# and segid HID ) 3.00 3.00 3.00 assi { 36 ncshsfnoe.xpk } (resid 205 and name HB# and segid SID ) (resid 620 and name HD* and segid HID ) 3.00 3.00 3.00
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