NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
554724 | 2m1z | 18887 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} (( segid " " and resid 34 and name HD21)) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 1 spectrum 1 weight 0.10000E+01 volume 0.17959E-03 ppm1 5.713 ppm2 2.826 CV 1 ASSI { 2} (( segid " " and resid 34 and name HD21)) (( segid " " and resid 32 and name HB2 )) 4.200 2.200 1.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.10589E-03 ppm1 5.718 ppm2 2.356 CV 1 ASSI { 3} (( segid " " and resid 34 and name HD21)) ( segid " " and resid 96 and name HG2%) 4.100 2.100 1.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.29565E-03 ppm1 5.720 ppm2 0.732 CV 1 OR { 3} (( segid " " and resid 34 and name HD21)) ( segid " " and resid 96 and name HD1%) ASSI { 4} (( segid " " and resid 34 and name HD21)) (( segid " " and resid 34 and name HB3 )) 4.000 2.000 2.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.38290E-03 ppm1 5.720 ppm2 2.107 CV 1 ASSI { 7} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HD3 )) 3.400 1.400 1.400 peak 7 spectrum 1 weight 0.10000E+01 volume 0.15248E-02 ppm1 6.303 ppm2 4.400 CV 1 ASSI { 10} (( segid " " and resid 89 and name HN )) (( segid " " and resid 90 and name HN )) 2.500 0.800 0.800 peak 10 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 6.303 ppm2 7.436 CV 1 ASSI { 12} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HA )) 2.900 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.20501E-02 ppm1 6.304 ppm2 3.313 CV 1 ASSI { 14} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG12)) 3.100 1.200 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.43119E-02 ppm1 6.304 ppm2 1.694 CV 1 ASSI { 15} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HD1%) 3.300 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.33292E-02 ppm1 6.304 ppm2 0.864 CV 1 OR { 15} (( segid " " and resid 89 and name HN )) ( segid " " and resid 89 and name HG2%) ASSI { 16} (( segid " " and resid 89 and name HN )) (( segid " " and resid 87 and name HN )) 3.800 1.800 1.800 peak 16 spectrum 1 weight 0.10000E+01 volume 0.43373E-03 ppm1 6.305 ppm2 7.869 CV 1 ASSI { 17} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HG13)) 2.700 0.900 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.20077E-02 ppm1 6.306 ppm2 0.527 CV 1 ASSI { 21} (( segid " " and resid 41 and name HE21)) ( segid " " and resid 46 and name HD1%) 3.500 1.600 1.600 peak 21 spectrum 1 weight 0.10000E+01 volume 0.63450E-03 ppm1 6.693 ppm2 0.777 CV 1 ASSI { 22} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 69 and name HA )) 6.000 5.100 0.000 peak 22 spectrum 1 weight 0.10000E+01 volume 0.91492E-04 ppm1 6.695 ppm2 3.324 CV 1 ASSI { 23} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HG3 )) 3.500 1.600 1.600 peak 23 spectrum 1 weight 0.10000E+01 volume 0.48711E-03 ppm1 6.695 ppm2 2.366 CV 1 ASSI { 24} (( segid " " and resid 41 and name HE21)) ( segid " " and resid 69 and name HG2%) 4.400 2.400 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.49981E-03 ppm1 6.695 ppm2 0.382 CV 1 ASSI { 25} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 41 and name HE22)) 2.200 0.600 0.600 peak 25 spectrum 1 weight 0.10000E+01 volume 0.50744E-02 ppm1 6.696 ppm2 9.374 CV 1 ASSI { 27} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HA )) 3.700 1.800 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.44475E-03 ppm1 6.831 ppm2 3.985 CV 1 ASSI { 28} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) 3.800 1.800 1.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.44729E-03 ppm1 6.832 ppm2 4.158 CV 1 ASSI { 29} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG3 )) 3.900 1.900 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.58113E-03 ppm1 6.833 ppm2 2.365 CV 1 OR { 29} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 30} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HB2 )) 4.200 2.200 1.800 peak 30 spectrum 1 weight 0.10000E+01 volume 0.60147E-03 ppm1 6.833 ppm2 2.926 CV 1 ASSI { 31} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD3 )) 3.000 1.100 1.100 peak 31 spectrum 1 weight 0.10000E+01 volume 0.44390E-02 ppm1 6.833 ppm2 2.543 CV 1 ASSI { 32} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.900 1.000 1.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 6.834 ppm2 3.766 CV 1 ASSI { 33} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 1.200 1.200 peak 33 spectrum 1 weight 0.10000E+01 volume 0.11775E-02 ppm1 6.834 ppm2 2.012 CV 1 OR { 33} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB3 )) ASSI { 34} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG2 )) 2.800 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.27786E-02 ppm1 6.834 ppm2 1.591 CV 1 ASSI { 35} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HG3 )) 3.400 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.21602E-02 ppm1 6.834 ppm2 1.466 CV 1 ASSI { 36} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB2 )) 3.500 1.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 6.834 ppm2 0.909 CV 1 ASSI { 38} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB3 )) 2.500 0.800 0.800 peak 38 spectrum 1 weight 0.10000E+01 volume 0.34479E-02 ppm1 6.835 ppm2 0.585 CV 1 ASSI { 39} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 3.100 1.200 1.200 peak 39 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 6.835 ppm2 9.956 CV 1 ASSI { 40} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HE )) 2.300 0.700 0.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.56422E-02 ppm1 6.836 ppm2 7.216 CV 1 ASSI { 41} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HD2 )) 3.500 1.500 1.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.68279E-03 ppm1 6.836 ppm2 3.294 CV 1 ASSI { 42} (( segid " " and resid 74 and name HN )) (( segid " " and resid 72 and name HN )) 3.800 1.800 1.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.66839E-03 ppm1 6.838 ppm2 8.377 CV 1 ASSI { 45} (( segid " " and resid 71 and name HD21)) ( segid " " and resid 46 and name HD1%) 5.300 3.500 0.700 peak 45 spectrum 1 weight 0.10000E+01 volume 0.24059E-03 ppm1 6.846 ppm2 0.794 CV 1 ASSI { 47} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB3 )) 4.000 2.000 2.000 peak 47 spectrum 1 weight 0.10000E+01 volume 0.26092E-03 ppm1 6.848 ppm2 2.722 CV 1 ASSI { 48} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HD22)) 1.900 0.400 0.400 peak 48 spectrum 1 weight 0.10000E+01 volume 0.14232E-01 ppm1 6.849 ppm2 7.844 CV 1 ASSI { 49} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 71 and name HB2 )) 4.100 2.200 1.900 peak 49 spectrum 1 weight 0.10000E+01 volume 0.18553E-03 ppm1 6.849 ppm2 2.910 CV 1 ASSI { 50} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 48 and name HB2 )) 4.700 2.700 1.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.39477E-03 ppm1 6.855 ppm2 3.399 CV 1 ASSI { 53} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 48 and name HB3 )) 4.700 2.700 1.300 peak 53 spectrum 1 weight 0.10000E+01 volume 0.42187E-03 ppm1 6.856 ppm2 2.835 CV 1 ASSI { 54} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 37 and name HD3 )) 3.400 1.400 1.400 peak 54 spectrum 1 weight 0.10000E+01 volume 0.45915E-03 ppm1 6.856 ppm2 1.468 CV 1 OR { 54} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 37 and name HD2 )) ASSI { 55} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 38 and name HN )) 3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.25753E-03 ppm1 6.858 ppm2 8.752 CV 1 ASSI { 56} (( segid " " and resid 23 and name HE21)) (( segid " " and resid 23 and name HE22)) 2.200 0.600 0.600 peak 56 spectrum 1 weight 0.10000E+01 volume 0.58113E-02 ppm1 6.916 ppm2 7.354 CV 1 ASSI { 57} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 97 and name HN )) 4.600 2.600 1.400 peak 57 spectrum 1 weight 0.10000E+01 volume 0.16519E-03 ppm1 6.960 ppm2 8.727 CV 1 ASSI { 58} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 97 and name HD22)) 1.900 0.400 0.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15164E-01 ppm1 6.965 ppm2 7.195 CV 1 ASSI { 59} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 97 and name HB3 )) 3.900 1.900 1.900 peak 59 spectrum 1 weight 0.10000E+01 volume 0.75990E-03 ppm1 6.966 ppm2 2.572 CV 1 ASSI { 63} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 52 and name HG3 )) 3.100 3.100 2.900 peak 63 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 6.976 ppm2 2.220 CV 1 ASSI { 64} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 56 and name HD22)) 1.900 0.400 0.400 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13554E-01 ppm1 6.980 ppm2 7.513 CV 1 ASSI { 65} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 53 and name HA )) 3.600 1.700 1.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.45745E-03 ppm1 6.982 ppm2 4.012 CV 1 ASSI { 67} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HA )) 4.200 2.200 1.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 7.066 ppm2 5.683 CV 1 ASSI { 68} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 7.067 ppm2 4.513 CV 1 ASSI { 69} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB )) 3.400 1.400 1.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.77175E-03 ppm1 7.067 ppm2 3.991 CV 1 ASSI { 70} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HB )) 2.400 0.700 0.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.75649E-02 ppm1 7.067 ppm2 2.253 CV 1 ASSI { 71} (( segid " " and resid 67 and name HN )) ( segid " " and resid 67 and name HG2%) 2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.43712E-02 ppm1 7.067 ppm2 0.901 CV 1 ASSI { 72} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.000 0.500 0.500 peak 72 spectrum 1 weight 0.10000E+01 volume 0.51758E-02 ppm1 7.067 ppm2 7.759 CV 1 ASSI { 73} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.800 1.800 1.800 peak 73 spectrum 1 weight 0.10000E+01 volume 0.59298E-03 ppm1 7.067 ppm2 2.768 CV 1 ASSI { 74} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HG2%) 2.900 1.100 1.100 peak 74 spectrum 1 weight 0.10000E+01 volume 0.28294E-02 ppm1 7.068 ppm2 0.745 CV 1 ASSI { 75} (( segid " " and resid 67 and name HN )) (( segid " " and resid 11 and name HA )) 4.200 2.200 1.800 peak 75 spectrum 1 weight 0.10000E+01 volume 0.31598E-03 ppm1 7.068 ppm2 5.165 CV 1 ASSI { 76} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.200 2.200 1.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.60488E-03 ppm1 7.068 ppm2 2.961 CV 1 ASSI { 77} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA )) 3.200 1.300 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.15333E-02 ppm1 7.069 ppm2 4.865 CV 1 ASSI { 78} (( segid " " and resid 67 and name HN )) ( segid " " and resid 10 and name HB% ) 4.000 2.000 2.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.56673E-03 ppm1 7.069 ppm2 1.224 CV 1 ASSI { 79} (( segid " " and resid 67 and name HN )) (( segid " " and resid 65 and name HN )) 3.300 3.300 2.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.39392E-03 ppm1 7.069 ppm2 8.075 CV 1 ASSI { 80} (( segid " " and resid 67 and name HN )) ( segid " " and resid 12 and name HB% ) 4.200 2.200 1.800 peak 80 spectrum 1 weight 0.10000E+01 volume 0.40069E-03 ppm1 7.069 ppm2 1.453 CV 1 ASSI { 81} (( segid " " and resid 67 and name HN )) (( segid " " and resid 85 and name HB )) 2.400 2.400 3.600 peak 81 spectrum 1 weight 0.10000E+01 volume 0.24398E-02 ppm1 7.073 ppm2 1.775 CV 1 ASSI { 82} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HB3 )) 4.500 2.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.81241E-03 ppm1 7.136 ppm2 2.592 CV 1 ASSI { 83} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HA )) 2.900 1.100 1.100 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 7.137 ppm2 4.428 CV 1 ASSI { 85} (( segid " " and resid 103 and name HN )) (( segid " " and resid 100 and name HA )) 3.300 1.400 1.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 7.137 ppm2 3.896 CV 1 ASSI { 87} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG12)) 2.500 0.800 0.800 peak 87 spectrum 1 weight 0.10000E+01 volume 0.28633E-02 ppm1 7.137 ppm2 1.644 CV 1 ASSI { 88} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HG2%) 2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.27447E-02 ppm1 7.137 ppm2 0.985 CV 1 ASSI { 90} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HG13)) 2.700 0.900 0.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.44305E-02 ppm1 7.138 ppm2 1.167 CV 1 ASSI { 91} (( segid " " and resid 103 and name HN )) (( segid " " and resid 104 and name HN )) 2.100 0.600 0.600 peak 91 spectrum 1 weight 0.10000E+01 volume 0.59640E-02 ppm1 7.138 ppm2 7.996 CV 1 ASSI { 92} (( segid " " and resid 103 and name HN )) ( segid " " and resid 103 and name HD1%) 3.400 1.400 1.400 peak 92 spectrum 1 weight 0.10000E+01 volume 0.21094E-02 ppm1 7.139 ppm2 0.822 CV 1 ASSI { 93} (( segid " " and resid 103 and name HN )) ( segid " " and resid 100 and name HD2%) 4.100 2.100 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.35410E-03 ppm1 7.139 ppm2 0.630 CV 1 ASSI { 94} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HN )) 2.600 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.26685E-02 ppm1 7.141 ppm2 7.321 CV 1 ASSI { 96} (( segid " " and resid 95 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.900 1.900 1.900 peak 96 spectrum 1 weight 0.10000E+01 volume 0.51336E-03 ppm1 7.143 ppm2 2.901 CV 1 ASSI { 97} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HN )) 2.600 0.800 0.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.33038E-02 ppm1 7.144 ppm2 7.673 CV 1 ASSI { 98} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HA )) 2.900 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.21687E-02 ppm1 7.145 ppm2 3.585 CV 1 ASSI { 99} (( segid " " and resid 95 and name HN )) (( segid " " and resid 95 and name HB )) 2.400 0.700 0.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.54981E-02 ppm1 7.145 ppm2 2.106 CV 1 ASSI { 100} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB3 )) 2.600 0.900 0.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.41595E-02 ppm1 7.145 ppm2 1.755 CV 1 OR { 100} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HB2 )) ASSI { 102} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HG1%) 2.400 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.64549E-02 ppm1 7.145 ppm2 0.873 CV 1 OR { 102} (( segid " " and resid 95 and name HN )) ( segid " " and resid 95 and name HG2%) ASSI { 105} (( segid " " and resid 95 and name HN )) (( segid " " and resid 97 and name HN )) 4.200 2.200 1.800 peak 105 spectrum 1 weight 0.10000E+01 volume 0.36597E-03 ppm1 7.146 ppm2 8.729 CV 1 ASSI { 106} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG3 )) 3.900 1.900 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.58369E-03 ppm1 7.147 ppm2 1.271 CV 1 ASSI { 107} (( segid " " and resid 95 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.700 1.700 1.700 peak 107 spectrum 1 weight 0.10000E+01 volume 0.60568E-03 ppm1 7.151 ppm2 2.550 CV 1 ASSI { 109} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 97 and name HB3 )) 5.200 3.300 0.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.26092E-03 ppm1 7.195 ppm2 2.574 CV 1 ASSI { 110} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 94 and name HA )) 4.400 2.400 1.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.61587E-03 ppm1 7.197 ppm2 3.923 CV 1 ASSI { 111} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 97 and name HN )) 5.400 3.700 0.600 peak 111 spectrum 1 weight 0.10000E+01 volume 0.12961E-03 ppm1 7.197 ppm2 8.722 CV 1 ASSI { 113} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 97 and name HB2 )) 4.200 2.200 1.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 7.198 ppm2 2.774 CV 1 ASSI { 114} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 93 and name HB3 )) 3.500 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.53455E-03 ppm1 7.198 ppm2 2.000 CV 1 ASSI { 115} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.13385E-02 ppm1 7.202 ppm2 4.600 CV 1 ASSI { 117} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG12)) 2.600 0.800 0.800 peak 117 spectrum 1 weight 0.10000E+01 volume 0.34140E-02 ppm1 7.203 ppm2 1.258 CV 1 ASSI { 118} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 2.300 0.700 0.700 peak 118 spectrum 1 weight 0.10000E+01 volume 0.60317E-02 ppm1 7.204 ppm2 5.659 CV 1 ASSI { 119} (( segid " " and resid 37 and name HN )) (( segid " " and resid 6 and name HA )) 2.600 0.900 0.900 peak 119 spectrum 1 weight 0.10000E+01 volume 0.27955E-02 ppm1 7.204 ppm2 5.438 CV 1 ASSI { 120} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG13)) 2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18214E-02 ppm1 7.204 ppm2 0.777 CV 1 ASSI { 121} (( segid " " and resid 37 and name HN )) ( segid " " and resid 36 and name HD1%) 4.600 2.700 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.58284E-03 ppm1 7.204 ppm2 0.530 CV 1 ASSI { 123} (( segid " " and resid 37 and name HN )) (( segid " " and resid 6 and name HB )) 4.300 2.300 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.55824E-03 ppm1 7.206 ppm2 2.187 CV 1 ASSI { 124} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) 4.600 2.700 1.400 peak 124 spectrum 1 weight 0.10000E+01 volume 0.14994E-03 ppm1 7.207 ppm2 4.167 CV 1 ASSI { 125} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.800 1.800 1.800 peak 125 spectrum 1 weight 0.10000E+01 volume 0.77260E-03 ppm1 7.207 ppm2 2.974 CV 1 ASSI { 126} (( segid " " and resid 97 and name HD22)) (( segid " " and resid 97 and name HA )) 4.800 2.900 1.200 peak 126 spectrum 1 weight 0.10000E+01 volume 0.21009E-03 ppm1 7.207 ppm2 4.430 CV 1 ASSI { 127} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 3.800 1.800 1.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.50573E-03 ppm1 7.208 ppm2 8.921 CV 1 ASSI { 128} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HN )) 3.700 1.700 1.700 peak 128 spectrum 1 weight 0.10000E+01 volume 0.57265E-03 ppm1 7.208 ppm2 6.825 CV 1 ASSI { 129} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB3 )) 3.100 1.200 1.200 peak 129 spectrum 1 weight 0.10000E+01 volume 0.24313E-02 ppm1 7.209 ppm2 1.662 CV 1 ASSI { 130} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 130 spectrum 1 weight 0.10000E+01 volume 0.18891E-02 ppm1 7.209 ppm2 4.376 CV 1 ASSI { 131} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB3 )) 2.300 0.600 0.600 peak 131 spectrum 1 weight 0.10000E+01 volume 0.94033E-02 ppm1 7.209 ppm2 2.630 CV 1 OR { 131} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB2 )) ASSI { 132} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.43373E-02 ppm1 7.209 ppm2 7.667 CV 1 ASSI { 133} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.900 1.900 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.27532E-03 ppm1 7.209 ppm2 3.223 CV 1 ASSI { 134} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HD2 )) 3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 7.209 ppm2 1.534 CV 1 OR { 134} (( segid " " and resid 76 and name HN )) (( segid " " and resid 78 and name HD3 )) ASSI { 135} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) 3.700 1.700 1.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.50403E-03 ppm1 7.210 ppm2 3.774 CV 1 ASSI { 138} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HD3 )) 3.300 1.400 1.400 peak 138 spectrum 1 weight 0.10000E+01 volume 0.88947E-03 ppm1 7.218 ppm2 2.526 CV 1 ASSI { 139} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HG2 )) 3.400 1.400 1.400 peak 139 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 7.221 ppm2 1.596 CV 1 ASSI { 141} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HD2 )) 3.000 1.100 1.100 peak 141 spectrum 1 weight 0.10000E+01 volume 0.96573E-03 ppm1 7.223 ppm2 3.297 CV 1 ASSI { 142} (( segid " " and resid 74 and name HE )) (( segid " " and resid 71 and name HB2 )) 3.500 1.500 1.500 peak 142 spectrum 1 weight 0.10000E+01 volume 0.18637E-02 ppm1 7.223 ppm2 2.918 CV 1 ASSI { 143} (( segid " " and resid 74 and name HE )) (( segid " " and resid 71 and name HB3 )) 2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 7.223 ppm2 2.719 CV 1 ASSI { 144} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 7.223 ppm2 0.903 CV 1 ASSI { 145} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HB3 )) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 7.225 ppm2 0.586 CV 1 ASSI { 146} (( segid " " and resid 74 and name HE )) (( segid " " and resid 74 and name HG3 )) 3.200 1.200 1.200 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17875E-02 ppm1 7.226 ppm2 1.467 CV 1 ASSI { 147} (( segid " " and resid 85 and name HN )) (( segid " " and resid 87 and name HN )) 4.300 2.300 1.700 peak 147 spectrum 1 weight 0.10000E+01 volume 0.33123E-03 ppm1 7.237 ppm2 7.865 CV 1 ASSI { 149} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.900 1.100 1.100 peak 149 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 7.239 ppm2 3.316 CV 1 ASSI { 150} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG2 )) 4.500 2.600 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.47355E-03 ppm1 7.239 ppm2 2.021 CV 1 OR { 150} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HG3 )) ASSI { 151} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 2.400 0.700 0.700 peak 151 spectrum 1 weight 0.10000E+01 volume 0.48881E-02 ppm1 7.240 ppm2 4.734 CV 1 ASSI { 152} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HB )) 2.600 0.900 0.900 peak 152 spectrum 1 weight 0.10000E+01 volume 0.33547E-02 ppm1 7.240 ppm2 1.777 CV 1 ASSI { 153} (( segid " " and resid 85 and name HN )) ( segid " " and resid 85 and name HG1%) 2.500 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.48967E-02 ppm1 7.240 ppm2 0.843 CV 1 ASSI { 154} (( segid " " and resid 85 and name HN )) (( segid " " and resid 64 and name HA )) 4.000 2.000 2.000 peak 154 spectrum 1 weight 0.10000E+01 volume 0.37867E-03 ppm1 7.240 ppm2 5.434 CV 1 ASSI { 155} (( segid " " and resid 85 and name HN )) ( segid " " and resid 64 and name HB% ) 4.400 2.500 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.42696E-03 ppm1 7.240 ppm2 1.039 CV 1 ASSI { 156} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.300 1.400 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 7.241 ppm2 2.512 CV 1 ASSI { 157} (( segid " " and resid 85 and name HN )) (( segid " " and resid 65 and name HN )) 3.500 1.600 1.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.69213E-03 ppm1 7.241 ppm2 8.079 CV 1 ASSI { 158} (( segid " " and resid 85 and name HN )) (( segid " " and resid 65 and name HA )) 4.400 2.400 1.600 peak 158 spectrum 1 weight 0.10000E+01 volume 0.36427E-03 ppm1 7.241 ppm2 5.689 CV 1 ASSI { 162} (( segid " " and resid 85 and name HN )) ( segid " " and resid 87 and name HB% ) 3.800 1.800 1.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 7.250 ppm2 1.470 CV 1 ASSI { 163} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HN )) 3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.50151E-03 ppm1 7.328 ppm2 8.228 CV 1 ASSI { 165} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.200 0.600 0.600 peak 165 spectrum 1 weight 0.10000E+01 volume 0.90644E-02 ppm1 7.329 ppm2 1.997 CV 1 ASSI { 168} (( segid " " and resid 102 and name HN )) (( segid " " and resid 103 and name HG13)) 4.500 2.500 1.500 peak 168 spectrum 1 weight 0.10000E+01 volume 0.47777E-03 ppm1 7.329 ppm2 1.168 CV 1 ASSI { 169} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HG )) 2.700 0.900 0.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.34394E-02 ppm1 7.330 ppm2 0.825 CV 1 OR { 169} (( segid " " and resid 102 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 174} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 7.421 ppm2 2.399 CV 1 ASSI { 176} (( segid " " and resid 32 and name HN )) (( segid " " and resid 34 and name HD21)) 4.500 2.600 1.500 peak 176 spectrum 1 weight 0.10000E+01 volume 0.36003E-03 ppm1 7.422 ppm2 5.715 CV 1 ASSI { 177} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.24906E-02 ppm1 7.423 ppm2 4.239 CV 1 ASSI { 178} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HG2 )) 2.600 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.30836E-02 ppm1 7.423 ppm2 2.842 CV 1 ASSI { 180} (( segid " " and resid 32 and name HN )) ( segid " " and resid 96 and name HD1%) 3.800 1.800 1.800 peak 180 spectrum 1 weight 0.10000E+01 volume 0.60654E-03 ppm1 7.423 ppm2 0.727 CV 1 OR { 180} (( segid " " and resid 32 and name HN )) ( segid " " and resid 96 and name HG2%) ASSI { 181} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 181 spectrum 1 weight 0.10000E+01 volume 0.18637E-02 ppm1 7.424 ppm2 4.021 CV 1 ASSI { 183} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG2 )) 3.500 1.600 1.600 peak 183 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 7.424 ppm2 1.482 CV 1 OR { 183} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG3 )) ASSI { 184} (( segid " " and resid 32 and name HN )) ( segid " " and resid 29 and name HB% ) 4.400 2.400 1.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.36681E-03 ppm1 7.429 ppm2 1.218 CV 1 ASSI { 186} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.37443E-02 ppm1 7.437 ppm2 3.030 CV 1 ASSI { 187} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 187 spectrum 1 weight 0.10000E+01 volume 0.39561E-02 ppm1 7.437 ppm2 7.885 CV 1 ASSI { 189} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HG13)) 4.400 2.400 1.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.45660E-03 ppm1 7.437 ppm2 0.530 CV 1 ASSI { 190} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.500 1.500 1.500 peak 190 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 7.438 ppm2 2.499 CV 1 ASSI { 191} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HN )) 3.300 1.400 1.400 peak 191 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.438 ppm2 9.380 CV 1 ASSI { 192} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.600 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.35749E-02 ppm1 7.438 ppm2 8.145 CV 1 ASSI { 193} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.43712E-03 ppm1 7.438 ppm2 3.868 CV 1 ASSI { 196} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31090E-02 ppm1 7.439 ppm2 4.208 CV 1 ASSI { 198} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HA )) 4.900 3.000 1.100 peak 198 spectrum 1 weight 0.10000E+01 volume 0.21094E-03 ppm1 7.439 ppm2 3.532 CV 1 ASSI { 200} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HB3 )) 2.300 2.300 3.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.16011E-01 ppm1 7.440 ppm2 1.808 CV 1 ASSI { 203} (( segid " " and resid 90 and name HN )) (( segid " " and resid 89 and name HA )) 3.400 1.400 1.400 peak 203 spectrum 1 weight 0.10000E+01 volume 0.94033E-03 ppm1 7.442 ppm2 3.311 CV 1 ASSI { 204} (( segid " " and resid 54 and name HN )) (( segid " " and resid 56 and name HD21)) 4.000 2.000 2.000 peak 204 spectrum 1 weight 0.10000E+01 volume 0.47777E-03 ppm1 7.443 ppm2 7.001 CV 1 ASSI { 205} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 52 and name HG2 )) 4.700 2.800 1.300 peak 205 spectrum 1 weight 0.10000E+01 volume 0.10928E-03 ppm1 7.514 ppm2 2.293 CV 1 ASSI { 207} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 53 and name HA )) 4.700 2.800 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.25414E-03 ppm1 7.516 ppm2 4.027 CV 1 ASSI { 208} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 52 and name HG3 )) 4.800 2.900 1.200 peak 208 spectrum 1 weight 0.10000E+01 volume 0.13385E-03 ppm1 7.516 ppm2 2.164 CV 1 ASSI { 210} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 56 and name HB2 )) 4.100 2.100 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.76583E-03 ppm1 7.517 ppm2 2.868 CV 1 ASSI { 211} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 56 and name HA )) 4.800 2.800 1.200 peak 211 spectrum 1 weight 0.10000E+01 volume 0.22957E-03 ppm1 7.518 ppm2 4.401 CV 1 ASSI { 213} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HG2 )) 2.900 2.900 3.100 peak 213 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 7.534 ppm2 1.414 CV 1 ASSI { 214} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HA )) 2.600 0.900 0.900 peak 214 spectrum 1 weight 0.10000E+01 volume 0.41001E-02 ppm1 7.538 ppm2 4.512 CV 1 ASSI { 215} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 215 spectrum 1 weight 0.10000E+01 volume 0.47016E-03 ppm1 7.538 ppm2 7.069 CV 1 ASSI { 216} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.800 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.26685E-02 ppm1 7.539 ppm2 4.079 CV 1 ASSI { 217} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB2 )) 2.400 0.700 0.700 peak 217 spectrum 1 weight 0.10000E+01 volume 0.69379E-02 ppm1 7.539 ppm2 1.664 CV 1 OR { 217} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB3 )) ASSI { 218} (( segid " " and resid 68 and name HN )) ( segid " " and resid 67 and name HG2%) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 7.539 ppm2 0.905 CV 1 ASSI { 219} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.48455E-03 ppm1 7.539 ppm2 8.324 CV 1 ASSI { 220} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HG2%) 3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.11267E-02 ppm1 7.559 ppm2 1.163 CV 1 ASSI { 221} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.28888E-02 ppm1 7.561 ppm2 3.818 CV 1 ASSI { 223} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 4.000 2.000 2.000 peak 223 spectrum 1 weight 0.10000E+01 volume 0.42187E-03 ppm1 7.562 ppm2 8.475 CV 1 ASSI { 224} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA2 )) 3.700 1.700 1.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.46338E-03 ppm1 7.562 ppm2 3.999 CV 1 ASSI { 225} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HA )) 3.500 1.500 1.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 7.562 ppm2 4.971 CV 1 ASSI { 226} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HA )) 4.800 2.900 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.26177E-03 ppm1 7.563 ppm2 4.163 CV 1 ASSI { 227} (( segid " " and resid 45 and name HN )) ( segid " " and resid 43 and name HB% ) 3.200 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.45660E-03 ppm1 7.568 ppm2 1.492 CV 1 ASSI { 229} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HB )) 2.700 0.900 0.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.29650E-02 ppm1 7.597 ppm2 4.121 CV 1 ASSI { 230} (( segid " " and resid 18 and name HN )) (( segid " " and resid 18 and name HA )) 3.100 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.12707E-02 ppm1 7.597 ppm2 3.527 CV 1 ASSI { 233} (( segid " " and resid 57 and name HN )) (( segid " " and resid 55 and name HN )) 3.700 1.700 1.700 peak 233 spectrum 1 weight 0.10000E+01 volume 0.67009E-03 ppm1 7.602 ppm2 8.150 CV 1 ASSI { 234} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG13)) 2.600 0.900 0.900 peak 234 spectrum 1 weight 0.10000E+01 volume 0.32191E-02 ppm1 7.603 ppm2 1.279 CV 1 ASSI { 235} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB3 )) 2.400 0.700 0.700 peak 235 spectrum 1 weight 0.10000E+01 volume 0.61331E-02 ppm1 7.603 ppm2 3.837 CV 1 OR { 235} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 236} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HB2 )) 3.100 1.200 1.200 peak 236 spectrum 1 weight 0.10000E+01 volume 0.13724E-02 ppm1 7.603 ppm2 2.514 CV 1 ASSI { 237} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HN )) 2.600 0.900 0.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.29311E-02 ppm1 7.603 ppm2 7.237 CV 1 ASSI { 238} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HA )) 4.500 2.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.44221E-03 ppm1 7.603 ppm2 4.279 CV 1 ASSI { 239} (( segid " " and resid 86 and name HN )) ( segid " " and resid 87 and name HB% ) 4.100 2.100 1.900 peak 239 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 7.603 ppm2 1.467 CV 1 ASSI { 240} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HA )) 2.800 1.000 1.000 peak 240 spectrum 1 weight 0.10000E+01 volume 0.27108E-02 ppm1 7.604 ppm2 3.954 CV 1 ASSI { 241} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.700 1.700 1.700 peak 241 spectrum 1 weight 0.10000E+01 volume 0.45237E-03 ppm1 7.604 ppm2 2.866 CV 1 ASSI { 243} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HB )) 2.400 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.60232E-02 ppm1 7.604 ppm2 1.874 CV 1 ASSI { 244} (( segid " " and resid 57 and name HN )) (( segid " " and resid 57 and name HG12)) 2.900 1.000 1.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.27786E-02 ppm1 7.604 ppm2 1.563 CV 1 ASSI { 245} (( segid " " and resid 57 and name HN )) ( segid " " and resid 57 and name HG2%) 3.100 1.200 1.200 peak 245 spectrum 1 weight 0.10000E+01 volume 0.30582E-02 ppm1 7.604 ppm2 0.891 CV 1 ASSI { 246} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 246 spectrum 1 weight 0.10000E+01 volume 0.27701E-02 ppm1 7.604 ppm2 7.994 CV 1 ASSI { 247} (( segid " " and resid 86 and name HN )) (( segid " " and resid 86 and name HA )) 2.600 0.900 0.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.29734E-02 ppm1 7.604 ppm2 4.021 CV 1 ASSI { 248} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 3.500 1.500 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.75564E-03 ppm1 7.604 ppm2 3.308 CV 1 ASSI { 249} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HB3 )) 3.100 1.200 1.200 peak 249 spectrum 1 weight 0.10000E+01 volume 0.18807E-02 ppm1 7.604 ppm2 1.866 CV 1 ASSI { 250} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HG1%) 2.500 0.800 0.800 peak 250 spectrum 1 weight 0.10000E+01 volume 0.45491E-02 ppm1 7.604 ppm2 0.850 CV 1 ASSI { 251} (( segid " " and resid 86 and name HN )) (( segid " " and resid 87 and name HN )) 2.400 0.700 0.700 peak 251 spectrum 1 weight 0.10000E+01 volume 0.48033E-02 ppm1 7.604 ppm2 7.870 CV 1 ASSI { 252} (( segid " " and resid 86 and name HN )) (( segid " " and resid 84 and name HA )) 3.900 1.900 1.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 7.605 ppm2 4.748 CV 1 ASSI { 253} (( segid " " and resid 86 and name HN )) (( segid " " and resid 88 and name HD3 )) 4.400 2.400 1.600 peak 253 spectrum 1 weight 0.10000E+01 volume 0.44305E-03 ppm1 7.606 ppm2 4.397 CV 1 ASSI { 255} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HA )) 3.600 1.700 1.700 peak 255 spectrum 1 weight 0.10000E+01 volume 0.64042E-03 ppm1 7.631 ppm2 4.400 CV 1 ASSI { 256} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG1%) 2.600 0.900 0.900 peak 256 spectrum 1 weight 0.10000E+01 volume 0.39561E-02 ppm1 7.632 ppm2 0.957 CV 1 ASSI { 257} (( segid " " and resid 58 and name HN )) ( segid " " and resid 6 and name HD1%) 3.200 1.300 1.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 7.632 ppm2 1.091 CV 1 ASSI { 261} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA )) 3.400 1.500 1.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 7.634 ppm2 3.951 CV 1 ASSI { 262} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.900 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.25583E-02 ppm1 7.634 ppm2 3.637 CV 1 ASSI { 263} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA2 )) 2.200 0.600 0.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.67602E-02 ppm1 7.634 ppm2 3.170 CV 1 ASSI { 264} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HB )) 2.800 1.000 1.000 peak 264 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 7.634 ppm2 1.878 CV 1 ASSI { 265} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HN )) 4.500 2.600 1.500 peak 265 spectrum 1 weight 0.10000E+01 volume 0.50151E-03 ppm1 7.634 ppm2 9.351 CV 1 ASSI { 266} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG13)) 4.100 2.100 1.900 peak 266 spectrum 1 weight 0.10000E+01 volume 0.56422E-03 ppm1 7.634 ppm2 1.284 CV 1 ASSI { 267} (( segid " " and resid 58 and name HN )) (( segid " " and resid 4 and name HA )) 4.600 2.700 1.400 peak 267 spectrum 1 weight 0.10000E+01 volume 0.35495E-03 ppm1 7.636 ppm2 4.757 CV 1 ASSI { 268} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA2 )) 4.800 2.900 1.200 peak 268 spectrum 1 weight 0.10000E+01 volume 0.19738E-03 ppm1 7.637 ppm2 3.162 CV 1 ASSI { 269} (( segid " " and resid 58 and name HN )) (( segid " " and resid 6 and name HN )) 4.600 2.600 1.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.40493E-03 ppm1 7.637 ppm2 8.140 CV 1 ASSI { 270} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB2 )) 3.700 1.700 1.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.28718E-03 ppm1 7.639 ppm2 2.204 CV 1 ASSI { 271} (( segid " " and resid 60 and name HN )) (( segid " " and resid 5 and name HA )) 3.700 1.700 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.42950E-03 ppm1 7.640 ppm2 4.518 CV 1 ASSI { 272} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 2.500 0.800 0.800 peak 272 spectrum 1 weight 0.10000E+01 volume 0.44136E-02 ppm1 7.640 ppm2 0.635 CV 1 ASSI { 273} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 7.641 ppm2 4.399 CV 1 ASSI { 274} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HB3 )) 3.700 1.700 1.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 7.641 ppm2 1.947 CV 1 ASSI { 275} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.400 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.46762E-02 ppm1 7.641 ppm2 9.348 CV 1 ASSI { 276} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 3.800 1.800 1.800 peak 276 spectrum 1 weight 0.10000E+01 volume 0.82511E-03 ppm1 7.641 ppm2 8.282 CV 1 ASSI { 277} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HA1 )) 4.100 2.100 1.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.84459E-03 ppm1 7.641 ppm2 3.625 CV 1 ASSI { 279} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 3.200 1.300 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.16180E-02 ppm1 7.642 ppm2 2.064 CV 1 ASSI { 280} (( segid " " and resid 60 and name HN )) (( segid " " and resid 6 and name HN )) 3.400 1.400 1.400 peak 280 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 7.642 ppm2 8.115 CV 1 ASSI { 287} (( segid " " and resid 22 and name HN )) ( segid " " and resid 9 and name HG2%) 3.000 1.100 1.100 peak 287 spectrum 1 weight 0.10000E+01 volume 0.21263E-02 ppm1 7.654 ppm2 1.001 CV 1 ASSI { 289} (( segid " " and resid 22 and name HN )) (( segid " " and resid 19 and name HA )) 3.200 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.13385E-02 ppm1 7.655 ppm2 4.338 CV 1 ASSI { 290} (( segid " " and resid 22 and name HN )) ( segid " " and resid 22 and name HB% ) 2.300 0.700 0.700 peak 290 spectrum 1 weight 0.10000E+01 volume 0.84038E-02 ppm1 7.655 ppm2 1.462 CV 1 ASSI { 291} (( segid " " and resid 22 and name HN )) (( segid " " and resid 18 and name HA )) 3.500 1.500 1.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.79971E-03 ppm1 7.655 ppm2 3.537 CV 1 ASSI { 295} (( segid " " and resid 22 and name HN )) ( segid " " and resid 25 and name HD1%) 4.100 2.100 1.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.43882E-03 ppm1 7.656 ppm2 0.577 CV 1 ASSI { 296} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 48 and name HD22)) 1.900 0.500 0.500 peak 296 spectrum 1 weight 0.10000E+01 volume 0.12453E-01 ppm1 7.661 ppm2 6.854 CV 1 ASSI { 297} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 48 and name HB3 )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 7.661 ppm2 2.841 CV 1 ASSI { 299} (( segid " " and resid 75 and name HN )) (( segid " " and resid 6 and name HG13)) 3.800 3.800 2.200 peak 299 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 7.662 ppm2 1.553 CV 1 OR { 299} (( segid " " and resid 75 and name HN )) (( segid " " and resid 6 and name HG12)) ASSI { 302} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HA )) 2.800 1.000 1.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.20501E-02 ppm1 7.664 ppm2 4.285 CV 1 ASSI { 303} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.800 1.800 1.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.51000E-03 ppm1 7.664 ppm2 3.766 CV 1 ASSI { 304} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB3 )) 3.400 1.500 1.500 peak 304 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 7.664 ppm2 0.596 CV 1 ASSI { 305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB3 )) 4.000 2.000 2.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 7.664 ppm2 2.640 CV 1 OR { 305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HB2 )) ASSI { 307} (( segid " " and resid 75 and name HN )) ( segid " " and resid 80 and name HG2%) 4.500 2.500 1.500 peak 307 spectrum 1 weight 0.10000E+01 volume 0.21263E-03 ppm1 7.664 ppm2 0.379 CV 1 ASSI { 309} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) 3.500 1.500 1.500 peak 309 spectrum 1 weight 0.10000E+01 volume 0.82004E-03 ppm1 7.665 ppm2 4.156 CV 1 ASSI { 311} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.400 1.400 1.400 peak 311 spectrum 1 weight 0.10000E+01 volume 0.83611E-03 ppm1 7.665 ppm2 4.002 CV 1 ASSI { 312} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB3 )) 3.000 1.100 1.100 peak 312 spectrum 1 weight 0.10000E+01 volume 0.35834E-02 ppm1 7.666 ppm2 2.975 CV 1 ASSI { 313} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.500 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.36597E-02 ppm1 7.667 ppm2 6.831 CV 1 ASSI { 315} (( segid " " and resid 94 and name HN )) ( segid " " and resid 95 and name HG2%) 2.800 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.64213E-02 ppm1 7.668 ppm2 0.842 CV 1 ASSI { 316} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HN )) 2.500 0.800 0.800 peak 316 spectrum 1 weight 0.10000E+01 volume 0.41340E-02 ppm1 7.669 ppm2 8.519 CV 1 ASSI { 317} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.600 0.900 0.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 7.670 ppm2 3.243 CV 1 ASSI { 318} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.800 1.800 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.96573E-03 ppm1 7.670 ppm2 2.882 CV 1 ASSI { 319} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HB3 )) 2.800 1.000 1.000 peak 319 spectrum 1 weight 0.10000E+01 volume 0.49388E-02 ppm1 7.670 ppm2 2.053 CV 1 ASSI { 320} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB2 )) 2.200 0.600 0.600 peak 320 spectrum 1 weight 0.10000E+01 volume 0.10505E-01 ppm1 7.670 ppm2 1.758 CV 1 OR { 320} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HB3 )) ASSI { 321} (( segid " " and resid 94 and name HN )) (( segid " " and resid 97 and name HN )) 4.200 2.200 1.800 peak 321 spectrum 1 weight 0.10000E+01 volume 0.32276E-03 ppm1 7.670 ppm2 8.714 CV 1 ASSI { 322} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.700 1.700 1.700 peak 322 spectrum 1 weight 0.10000E+01 volume 0.53284E-03 ppm1 7.670 ppm2 2.562 CV 1 ASSI { 324} (( segid " " and resid 94 and name HN )) (( segid " " and resid 94 and name HA )) 2.900 1.000 1.000 peak 324 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 7.672 ppm2 3.920 CV 1 ASSI { 325} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HG3 )) 2.700 2.700 3.300 peak 325 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 7.672 ppm2 2.392 CV 1 OR { 325} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 326} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG2 )) 3.800 1.800 1.800 peak 326 spectrum 1 weight 0.10000E+01 volume 0.82767E-03 ppm1 7.673 ppm2 2.239 CV 1 OR { 326} (( segid " " and resid 94 and name HN )) (( segid " " and resid 93 and name HG3 )) ASSI { 327} (( segid " " and resid 94 and name HN )) (( segid " " and resid 91 and name HA )) 3.800 1.800 1.800 peak 327 spectrum 1 weight 0.10000E+01 volume 0.44983E-03 ppm1 7.673 ppm2 4.532 CV 1 ASSI { 330} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB2 )) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.81493E-02 ppm1 7.688 ppm2 1.760 CV 1 OR { 330} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HB3 )) ASSI { 331} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 7.688 ppm2 8.934 CV 1 ASSI { 332} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA2 )) 3.200 1.300 1.300 peak 332 spectrum 1 weight 0.10000E+01 volume 0.11775E-02 ppm1 7.689 ppm2 3.823 CV 1 ASSI { 335} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 335 spectrum 1 weight 0.10000E+01 volume 0.26346E-02 ppm1 7.689 ppm2 3.888 CV 1 ASSI { 336} (( segid " " and resid 49 and name HN )) ( segid " " and resid 46 and name HG2%) 3.100 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 7.689 ppm2 0.869 CV 1 ASSI { 338} (( segid " " and resid 78 and name HN )) ( segid " " and resid 61 and name HG2%) 4.700 2.800 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.18129E-03 ppm1 7.689 ppm2 0.685 CV 1 ASSI { 339} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HA )) 3.800 1.800 1.800 peak 339 spectrum 1 weight 0.10000E+01 volume 0.47016E-03 ppm1 7.691 ppm2 4.382 CV 1 ASSI { 340} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HN )) 4.300 2.300 1.700 peak 340 spectrum 1 weight 0.10000E+01 volume 0.23551E-03 ppm1 7.691 ppm2 7.201 CV 1 ASSI { 341} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB2 )) 3.300 1.400 1.400 peak 341 spectrum 1 weight 0.10000E+01 volume 0.71583E-03 ppm1 7.693 ppm2 1.803 CV 1 ASSI { 343} (( segid " " and resid 78 and name HN )) (( segid " " and resid 76 and name HB3 )) 3.600 1.600 1.600 peak 343 spectrum 1 weight 0.10000E+01 volume 0.56080E-03 ppm1 7.693 ppm2 2.630 CV 1 ASSI { 344} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HA )) 3.300 1.400 1.400 peak 344 spectrum 1 weight 0.10000E+01 volume 0.99113E-03 ppm1 7.694 ppm2 4.535 CV 1 ASSI { 345} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD2 )) 3.500 1.500 1.500 peak 345 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 7.694 ppm2 1.496 CV 1 OR { 345} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD3 )) ASSI { 347} (( segid " " and resid 78 and name HN )) ( segid " " and resid 80 and name HG2%) 3.800 1.800 1.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.48369E-03 ppm1 7.694 ppm2 0.349 CV 1 ASSI { 348} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB3 )) 3.500 1.600 1.600 peak 348 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 7.695 ppm2 1.681 CV 1 ASSI { 350} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HB3 )) 4.100 2.100 1.900 peak 350 spectrum 1 weight 0.10000E+01 volume 0.31090E-03 ppm1 7.695 ppm2 2.976 CV 1 ASSI { 352} (( segid " " and resid 10 and name HN )) ( segid " " and resid 21 and name HB% ) 4.100 2.100 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.38375E-03 ppm1 7.698 ppm2 1.540 CV 1 ASSI { 354} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 354 spectrum 1 weight 0.10000E+01 volume 0.25583E-02 ppm1 7.700 ppm2 4.534 CV 1 ASSI { 355} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB2 )) 2.700 0.900 0.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.25329E-02 ppm1 7.700 ppm2 2.885 CV 1 ASSI { 357} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HN )) 2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.51166E-02 ppm1 7.700 ppm2 7.435 CV 1 ASSI { 358} (( segid " " and resid 91 and name HN )) (( segid " " and resid 89 and name HN )) 3.600 1.600 1.600 peak 358 spectrum 1 weight 0.10000E+01 volume 0.76583E-03 ppm1 7.700 ppm2 6.302 CV 1 ASSI { 359} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HA )) 3.300 1.400 1.400 peak 359 spectrum 1 weight 0.10000E+01 volume 0.97421E-03 ppm1 7.701 ppm2 4.343 CV 1 ASSI { 360} (( segid " " and resid 19 and name HN )) ( segid " " and resid 18 and name HG2%) 3.200 1.300 1.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 7.701 ppm2 0.979 CV 1 ASSI { 361} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HA )) 2.600 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.34563E-02 ppm1 7.701 ppm2 4.017 CV 1 ASSI { 362} (( segid " " and resid 91 and name HN )) (( segid " " and resid 91 and name HB3 )) 3.400 1.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 7.701 ppm2 2.556 CV 1 ASSI { 364} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HA )) 3.800 1.800 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.47101E-03 ppm1 7.701 ppm2 3.534 CV 1 ASSI { 365} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HB2 )) 5.000 3.100 1.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.28464E-03 ppm1 7.701 ppm2 2.150 CV 1 ASSI { 366} (( segid " " and resid 10 and name HN )) ( segid " " and resid 85 and name HG2%) 2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.38121E-02 ppm1 7.702 ppm2 0.842 CV 1 ASSI { 367} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HB )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.29480E-02 ppm1 7.702 ppm2 4.122 CV 1 ASSI { 368} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.25160E-02 ppm1 7.702 ppm2 3.201 CV 1 ASSI { 369} (( segid " " and resid 19 and name HN )) (( segid " " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 369 spectrum 1 weight 0.10000E+01 volume 0.37359E-02 ppm1 7.702 ppm2 3.038 CV 1 ASSI { 370} (( segid " " and resid 19 and name HN )) ( segid " " and resid 19 and name HD% ) 3.700 1.700 1.700 peak 370 spectrum 1 weight 0.10000E+01 volume 0.53455E-03 ppm1 7.702 ppm2 7.086 CV 1 ASSI { 371} (( segid " " and resid 19 and name HN )) ( segid " " and resid 16 and name HB% ) 5.800 4.100 0.200 peak 371 spectrum 1 weight 0.10000E+01 volume 0.67516E-04 ppm1 7.702 ppm2 1.360 CV 1 ASSI { 372} (( segid " " and resid 91 and name HN )) (( segid " " and resid 92 and name HN )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 7.703 ppm2 8.855 CV 1 ASSI { 373} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.44729E-03 ppm1 7.703 ppm2 8.129 CV 1 ASSI { 376} (( segid " " and resid 19 and name HN )) ( segid " " and resid 22 and name HB% ) 3.900 1.900 1.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.73360E-03 ppm1 7.703 ppm2 1.449 CV 1 ASSI { 377} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HB )) 3.000 1.100 1.100 peak 377 spectrum 1 weight 0.10000E+01 volume 0.20670E-02 ppm1 7.704 ppm2 4.175 CV 1 ASSI { 378} (( segid " " and resid 10 and name HN )) ( segid " " and resid 65 and name HG1%) 2.300 0.700 0.700 peak 378 spectrum 1 weight 0.10000E+01 volume 0.45745E-02 ppm1 7.704 ppm2 0.654 CV 1 ASSI { 379} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 2.600 0.900 0.900 peak 379 spectrum 1 weight 0.10000E+01 volume 0.30666E-02 ppm1 7.704 ppm2 8.465 CV 1 ASSI { 380} (( segid " " and resid 10 and name HN )) (( segid " " and resid 65 and name HB )) 3.900 1.900 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.59132E-03 ppm1 7.704 ppm2 2.250 CV 1 ASSI { 381} (( segid " " and resid 10 and name HN )) (( segid " " and resid 67 and name HN )) 5.200 3.400 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.31175E-03 ppm1 7.704 ppm2 7.072 CV 1 ASSI { 382} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 2.300 0.700 0.700 peak 382 spectrum 1 weight 0.10000E+01 volume 0.52436E-02 ppm1 7.705 ppm2 5.496 CV 1 ASSI { 383} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 7.705 ppm2 4.790 CV 1 ASSI { 384} (( segid " " and resid 10 and name HN )) ( segid " " and resid 10 and name HB% ) 2.900 1.100 1.100 peak 384 spectrum 1 weight 0.10000E+01 volume 0.20162E-02 ppm1 7.705 ppm2 1.221 CV 1 ASSI { 386} (( segid " " and resid 10 and name HN )) (( segid " " and resid 85 and name HB )) 4.100 2.100 1.900 peak 386 spectrum 1 weight 0.10000E+01 volume 0.42187E-03 ppm1 7.705 ppm2 1.784 CV 1 ASSI { 388} (( segid " " and resid 10 and name HN )) (( segid " " and resid 65 and name HA )) 3.800 1.800 1.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.37359E-03 ppm1 7.706 ppm2 5.670 CV 1 ASSI { 390} (( segid " " and resid 10 and name HN )) (( segid " " and resid 18 and name HA )) 4.000 2.000 2.000 peak 390 spectrum 1 weight 0.10000E+01 volume 0.26770E-03 ppm1 7.706 ppm2 3.532 CV 1 ASSI { 391} (( segid " " and resid 10 and name HN )) (( segid " " and resid 85 and name HA )) 3.900 1.900 1.900 peak 391 spectrum 1 weight 0.10000E+01 volume 0.57606E-03 ppm1 7.706 ppm2 3.303 CV 1 ASSI { 392} (( segid " " and resid 10 and name HN )) ( segid " " and resid 69 and name HG1%) 5.000 3.200 1.000 peak 392 spectrum 1 weight 0.10000E+01 volume 0.34987E-03 ppm1 7.707 ppm2 -0.003 CV 1 ASSI { 393} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG2 )) 3.100 1.200 1.200 peak 393 spectrum 1 weight 0.10000E+01 volume 0.16180E-02 ppm1 7.708 ppm2 1.202 CV 1 OR { 393} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG3 )) ASSI { 397} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE2 )) 4.200 2.200 1.800 peak 397 spectrum 1 weight 0.10000E+01 volume 0.42865E-03 ppm1 7.718 ppm2 2.990 CV 1 OR { 397} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HE3 )) ASSI { 399} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HN )) 2.600 0.900 0.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.34648E-02 ppm1 7.720 ppm2 8.277 CV 1 ASSI { 401} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB3 )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.73023E-02 ppm1 7.721 ppm2 1.965 CV 1 ASSI { 402} (( segid " " and resid 30 and name HN )) ( segid " " and resid 29 and name HB% ) 3.000 1.100 1.100 peak 402 spectrum 1 weight 0.10000E+01 volume 0.17959E-02 ppm1 7.721 ppm2 1.212 CV 1 ASSI { 404} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.800 1.000 1.000 peak 404 spectrum 1 weight 0.10000E+01 volume 0.26685E-02 ppm1 7.722 ppm2 4.135 CV 1 ASSI { 406} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA )) 3.100 1.200 1.200 peak 406 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 7.755 ppm2 4.868 CV 1 ASSI { 407} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB3 )) 3.200 1.300 1.300 peak 407 spectrum 1 weight 0.10000E+01 volume 0.86407E-03 ppm1 7.757 ppm2 2.775 CV 1 ASSI { 408} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 4.000 2.000 2.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.45745E-03 ppm1 7.757 ppm2 8.068 CV 1 ASSI { 410} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 410 spectrum 1 weight 0.10000E+01 volume 0.70568E-02 ppm1 7.758 ppm2 5.683 CV 1 ASSI { 411} (( segid " " and resid 66 and name HN )) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 411 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.758 ppm2 5.157 CV 1 ASSI { 412} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HB2 )) 3.200 1.300 1.300 peak 412 spectrum 1 weight 0.10000E+01 volume 0.99113E-03 ppm1 7.758 ppm2 2.962 CV 1 ASSI { 413} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HB )) 2.300 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.33716E-02 ppm1 7.758 ppm2 2.253 CV 1 ASSI { 414} (( segid " " and resid 66 and name HN )) ( segid " " and resid 67 and name HG2%) 3.100 1.200 1.200 peak 414 spectrum 1 weight 0.10000E+01 volume 0.27532E-02 ppm1 7.758 ppm2 0.875 CV 1 ASSI { 415} (( segid " " and resid 66 and name HN )) ( segid " " and resid 65 and name HG1%) 3.500 1.500 1.500 peak 415 spectrum 1 weight 0.10000E+01 volume 0.26600E-02 ppm1 7.758 ppm2 0.696 CV 1 ASSI { 416} (( segid " " and resid 66 and name HN )) (( segid " " and resid 85 and name HB )) 3.300 1.300 1.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.94881E-03 ppm1 7.759 ppm2 1.778 CV 1 ASSI { 417} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HA )) 5.000 3.100 1.000 peak 417 spectrum 1 weight 0.10000E+01 volume 0.33801E-03 ppm1 7.759 ppm2 4.501 CV 1 ASSI { 418} (( segid " " and resid 66 and name HN )) ( segid " " and resid 10 and name HB% ) 3.900 1.900 1.900 peak 418 spectrum 1 weight 0.10000E+01 volume 0.74464E-03 ppm1 7.759 ppm2 1.222 CV 1 ASSI { 419} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HB )) 4.300 2.300 1.700 peak 419 spectrum 1 weight 0.10000E+01 volume 0.64469E-03 ppm1 7.762 ppm2 3.991 CV 1 ASSI { 420} (( segid " " and resid 34 and name HD22)) ( segid " " and resid 96 and name HG2%) 3.300 1.300 1.300 peak 420 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 7.793 ppm2 0.756 CV 1 OR { 420} (( segid " " and resid 34 and name HD22)) ( segid " " and resid 96 and name HD1%) ASSI { 421} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 34 and name HD21)) 2.100 0.500 0.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.66076E-02 ppm1 7.794 ppm2 5.716 CV 1 ASSI { 422} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 34 and name HB3 )) 4.400 2.400 1.600 peak 422 spectrum 1 weight 0.10000E+01 volume 0.39646E-03 ppm1 7.794 ppm2 2.122 CV 1 ASSI { 424} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 32 and name HB2 )) 3.600 1.600 1.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.42272E-03 ppm1 7.796 ppm2 2.362 CV 1 ASSI { 427} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HG2 )) 3.700 1.800 1.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.72853E-03 ppm1 7.803 ppm2 2.279 CV 1 ASSI { 428} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HA )) 2.600 0.900 0.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.42780E-02 ppm1 7.804 ppm2 4.295 CV 1 ASSI { 429} (( segid " " and resid 106 and name HN )) (( segid " " and resid 105 and name HB2 )) 3.400 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.11775E-02 ppm1 7.805 ppm2 2.042 CV 1 ASSI { 430} (( segid " " and resid 106 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.600 2.600 3.400 peak 430 spectrum 1 weight 0.10000E+01 volume 0.14401E-02 ppm1 7.805 ppm2 1.828 CV 1 ASSI { 431} (( segid " " and resid 106 and name HN )) (( segid " " and resid 100 and name HB3 )) 2.800 2.800 3.200 peak 431 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 7.805 ppm2 1.396 CV 1 ASSI { 432} (( segid " " and resid 106 and name HN )) (( segid " " and resid 104 and name HB2 )) 4.000 2.000 2.000 peak 432 spectrum 1 weight 0.10000E+01 volume 0.39646E-03 ppm1 7.805 ppm2 2.693 CV 1 ASSI { 435} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB3 )) 3.800 1.800 1.800 peak 435 spectrum 1 weight 0.10000E+01 volume 0.88947E-03 ppm1 7.844 ppm2 2.719 CV 1 ASSI { 437} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 71 and name HB2 )) 4.100 2.100 1.900 peak 437 spectrum 1 weight 0.10000E+01 volume 0.59891E-03 ppm1 7.845 ppm2 2.918 CV 1 ASSI { 438} (( segid " " and resid 71 and name HD22)) ( segid " " and resid 46 and name HD1%) 3.800 1.800 1.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.28633E-03 ppm1 7.846 ppm2 0.790 CV 1 ASSI { 441} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA1 )) 2.800 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.23127E-02 ppm1 7.854 ppm2 4.138 CV 1 ASSI { 443} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.500 0.800 0.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.42780E-02 ppm1 7.855 ppm2 7.419 CV 1 ASSI { 446} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HB )) 3.400 1.500 1.500 peak 446 spectrum 1 weight 0.10000E+01 volume 0.81071E-03 ppm1 7.856 ppm2 1.498 CV 1 ASSI { 447} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 3.300 1.400 1.400 peak 447 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 7.858 ppm2 8.797 CV 1 ASSI { 448} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB )) 4.100 2.100 1.900 peak 448 spectrum 1 weight 0.10000E+01 volume 0.69635E-03 ppm1 7.858 ppm2 1.935 CV 1 ASSI { 449} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 2.200 0.600 0.600 peak 449 spectrum 1 weight 0.10000E+01 volume 0.98270E-02 ppm1 7.859 ppm2 3.847 CV 1 ASSI { 450} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HG1%) 2.900 1.000 1.000 peak 450 spectrum 1 weight 0.10000E+01 volume 0.33801E-02 ppm1 7.859 ppm2 0.833 CV 1 ASSI { 451} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG1%) 3.400 1.500 1.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 7.859 ppm2 -0.163 CV 1 ASSI { 452} (( segid " " and resid 80 and name HN )) ( segid " " and resid 80 and name HG2%) 2.900 1.000 1.000 peak 452 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 7.860 ppm2 0.345 CV 1 ASSI { 454} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 7.861 ppm2 4.684 CV 1 ASSI { 455} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 2.300 2.300 3.700 peak 455 spectrum 1 weight 0.10000E+01 volume 0.42696E-02 ppm1 7.862 ppm2 2.383 CV 1 ASSI { 456} (( segid " " and resid 80 and name HN )) ( segid " " and resid 79 and name HG2%) 3.300 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 7.863 ppm2 1.006 CV 1 ASSI { 459} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB3 )) 3.300 1.300 1.300 peak 459 spectrum 1 weight 0.10000E+01 volume 0.22110E-02 ppm1 7.868 ppm2 1.915 CV 1 ASSI { 460} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HD2 )) 2.500 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.30073E-02 ppm1 7.869 ppm2 3.443 CV 1 ASSI { 461} (( segid " " and resid 87 and name HN )) ( segid " " and resid 87 and name HB% ) 2.600 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31937E-02 ppm1 7.869 ppm2 1.458 CV 1 ASSI { 462} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HD3 )) 2.900 1.000 1.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.25414E-02 ppm1 7.870 ppm2 4.405 CV 1 ASSI { 463} (( segid " " and resid 87 and name HN )) ( segid " " and resid 85 and name HG1%) 3.800 1.800 1.800 peak 463 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 7.870 ppm2 0.839 CV 1 OR { 463} (( segid " " and resid 87 and name HN )) ( segid " " and resid 85 and name HG2%) ASSI { 466} (( segid " " and resid 87 and name HN )) ( segid " " and resid 64 and name HB% ) 4.900 3.000 1.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.21348E-03 ppm1 7.873 ppm2 1.038 CV 1 ASSI { 467} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HB3 )) 4.200 2.200 1.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.92336E-03 ppm1 7.874 ppm2 1.869 CV 1 ASSI { 468} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HN )) 3.300 1.300 1.300 peak 468 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 7.881 ppm2 7.551 CV 1 ASSI { 470} (( segid " " and resid 42 and name HN )) (( segid " " and resid 47 and name HN )) 4.600 2.700 1.400 peak 470 spectrum 1 weight 0.10000E+01 volume 0.43543E-03 ppm1 7.881 ppm2 8.987 CV 1 ASSI { 471} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 3.700 1.800 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.47186E-03 ppm1 7.882 ppm2 8.174 CV 1 ASSI { 472} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.700 1.700 1.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 7.882 ppm2 2.142 CV 1 ASSI { 473} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HE22)) 4.000 2.000 2.000 peak 473 spectrum 1 weight 0.10000E+01 volume 0.78952E-03 ppm1 7.882 ppm2 9.361 CV 1 ASSI { 474} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA2 )) 2.900 1.100 1.100 peak 474 spectrum 1 weight 0.10000E+01 volume 0.17366E-02 ppm1 7.883 ppm2 4.078 CV 1 ASSI { 475} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HA )) 2.300 0.700 0.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.64298E-02 ppm1 7.883 ppm2 4.982 CV 1 ASSI { 476} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HA )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.20585E-02 ppm1 7.883 ppm2 4.768 CV 1 ASSI { 477} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA1 )) 2.900 1.100 1.100 peak 477 spectrum 1 weight 0.10000E+01 volume 0.28549E-02 ppm1 7.883 ppm2 4.552 CV 1 ASSI { 478} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA2 )) 2.600 0.800 0.800 peak 478 spectrum 1 weight 0.10000E+01 volume 0.35410E-02 ppm1 7.883 ppm2 4.003 CV 1 ASSI { 479} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.400 1.400 1.400 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 7.883 ppm2 1.827 CV 1 ASSI { 480} (( segid " " and resid 42 and name HN )) ( segid " " and resid 46 and name HG2%) 3.800 1.800 1.800 peak 480 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 7.883 ppm2 0.896 CV 1 ASSI { 481} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HG3 )) 3.500 1.500 1.500 peak 481 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 7.883 ppm2 2.355 CV 1 ASSI { 482} (( segid " " and resid 53 and name HN )) (( segid " " and resid 51 and name HA )) 4.400 2.400 1.600 peak 482 spectrum 1 weight 0.10000E+01 volume 0.42950E-03 ppm1 7.883 ppm2 4.411 CV 1 ASSI { 484} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HB )) 4.200 2.200 1.800 peak 484 spectrum 1 weight 0.10000E+01 volume 0.22195E-03 ppm1 7.884 ppm2 4.258 CV 1 ASSI { 485} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.30243E-02 ppm1 7.885 ppm2 4.018 CV 1 ASSI { 486} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 486 spectrum 1 weight 0.10000E+01 volume 0.61246E-02 ppm1 7.885 ppm2 1.721 CV 1 ASSI { 488} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) 3.700 1.700 1.700 peak 488 spectrum 1 weight 0.10000E+01 volume 0.61587E-03 ppm1 7.885 ppm2 4.394 CV 1 ASSI { 489} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.39561E-02 ppm1 7.885 ppm2 3.877 CV 1 ASSI { 490} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD2 )) 4.200 2.200 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.46677E-03 ppm1 7.886 ppm2 1.474 CV 1 OR { 490} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HD3 )) ASSI { 491} (( segid " " and resid 53 and name HN )) ( segid " " and resid 51 and name HG2%) 4.600 2.600 1.400 peak 491 spectrum 1 weight 0.10000E+01 volume 0.30582E-03 ppm1 7.887 ppm2 1.336 CV 1 ASSI { 492} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB3 )) 2.500 0.800 0.800 peak 492 spectrum 1 weight 0.10000E+01 volume 0.56502E-02 ppm1 7.889 ppm2 1.974 CV 1 ASSI { 493} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HG12)) 2.500 2.500 3.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.60910E-02 ppm1 7.892 ppm2 1.649 CV 1 OR { 493} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HG13)) ASSI { 494} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HA1 )) 4.300 2.300 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.18807E-03 ppm1 7.921 ppm2 3.883 CV 1 ASSI { 496} (( segid " " and resid 99 and name HN )) ( segid " " and resid 102 and name HD1%) 4.100 2.100 1.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.46254E-03 ppm1 7.922 ppm2 1.986 CV 1 OR { 496} (( segid " " and resid 99 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 497} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG3 )) 5.100 3.200 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.22195E-03 ppm1 7.924 ppm2 2.463 CV 1 ASSI { 498} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.27871E-02 ppm1 7.926 ppm2 7.723 CV 1 ASSI { 499} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) 2.600 0.900 0.900 peak 499 spectrum 1 weight 0.10000E+01 volume 0.31260E-02 ppm1 7.926 ppm2 7.422 CV 1 ASSI { 500} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.800 1.000 1.000 peak 500 spectrum 1 weight 0.10000E+01 volume 0.26092E-02 ppm1 7.926 ppm2 4.015 CV 1 ASSI { 503} (( segid " " and resid 31 and name HN )) (( segid " " and resid 28 and name HA2 )) 5.300 3.500 0.700 peak 503 spectrum 1 weight 0.10000E+01 volume 0.13978E-03 ppm1 7.928 ppm2 3.250 CV 1 ASSI { 504} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HG2 )) 5.200 3.400 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.14232E-03 ppm1 7.929 ppm2 2.845 CV 1 ASSI { 505} (( segid " " and resid 31 and name HN )) ( segid " " and resid 29 and name HB% ) 4.600 2.700 1.400 peak 505 spectrum 1 weight 0.10000E+01 volume 0.31090E-03 ppm1 7.929 ppm2 1.209 CV 1 ASSI { 506} (( segid " " and resid 99 and name HN )) (( segid " " and resid 98 and name HA )) 3.400 1.400 1.400 peak 506 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 7.931 ppm2 4.101 CV 1 ASSI { 507} (( segid " " and resid 99 and name HN )) (( segid " " and resid 96 and name HA )) 3.500 1.500 1.500 peak 507 spectrum 1 weight 0.10000E+01 volume 0.68616E-03 ppm1 7.931 ppm2 3.382 CV 1 ASSI { 508} (( segid " " and resid 99 and name HN )) (( segid " " and resid 99 and name HA )) 2.900 1.000 1.000 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22195E-02 ppm1 7.932 ppm2 3.930 CV 1 ASSI { 509} (( segid " " and resid 99 and name HN )) ( segid " " and resid 99 and name HB% ) 2.200 0.600 0.600 peak 509 spectrum 1 weight 0.10000E+01 volume 0.91492E-02 ppm1 7.932 ppm2 1.394 CV 1 ASSI { 510} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HN )) 2.600 0.900 0.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.32530E-02 ppm1 7.932 ppm2 8.224 CV 1 ASSI { 512} (( segid " " and resid 99 and name HN )) ( segid " " and resid 60 and name HG2%) 3.600 1.600 1.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.13724E-02 ppm1 7.933 ppm2 0.663 CV 1 ASSI { 513} (( segid " " and resid 44 and name HN )) (( segid " " and resid 44 and name HA )) 3.700 3.700 2.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.59469E-03 ppm1 7.933 ppm2 4.422 CV 1 ASSI { 514} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HN )) 4.100 2.200 1.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.28888E-03 ppm1 7.933 ppm2 8.723 CV 1 ASSI { 515} (( segid " " and resid 99 and name HN )) (( segid " " and resid 95 and name HA )) 4.000 2.000 2.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.37951E-03 ppm1 7.933 ppm2 3.585 CV 1 ASSI { 516} (( segid " " and resid 99 and name HN )) (( segid " " and resid 81 and name HB2 )) 3.600 1.700 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.79630E-03 ppm1 7.934 ppm2 1.772 CV 1 ASSI { 517} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.700 0.900 0.900 peak 517 spectrum 1 weight 0.10000E+01 volume 0.34309E-02 ppm1 7.948 ppm2 2.775 CV 1 ASSI { 518} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HN )) 4.000 2.000 2.000 peak 518 spectrum 1 weight 0.10000E+01 volume 0.37697E-03 ppm1 7.948 ppm2 7.177 CV 1 ASSI { 519} (( segid " " and resid 98 and name HN )) (( segid " " and resid 98 and name HA )) 2.700 0.900 0.900 peak 519 spectrum 1 weight 0.10000E+01 volume 0.36851E-02 ppm1 7.950 ppm2 4.102 CV 1 ASSI { 520} (( segid " " and resid 98 and name HN )) (( segid " " and resid 95 and name HA )) 3.300 1.400 1.400 peak 520 spectrum 1 weight 0.10000E+01 volume 0.10335E-02 ppm1 7.950 ppm2 3.583 CV 1 ASSI { 521} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HN )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.25583E-02 ppm1 7.950 ppm2 8.722 CV 1 ASSI { 522} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.700 1.800 1.800 peak 522 spectrum 1 weight 0.10000E+01 volume 0.98270E-03 ppm1 7.951 ppm2 2.566 CV 1 ASSI { 523} (( segid " " and resid 98 and name HN )) ( segid " " and resid 98 and name HB% ) 2.300 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.75393E-02 ppm1 7.951 ppm2 1.454 CV 1 ASSI { 525} (( segid " " and resid 98 and name HN )) (( segid " " and resid 97 and name HA )) 3.600 1.600 1.600 peak 525 spectrum 1 weight 0.10000E+01 volume 0.68616E-03 ppm1 7.952 ppm2 4.417 CV 1 ASSI { 527} (( segid " " and resid 98 and name HN )) (( segid " " and resid 96 and name HA )) 4.600 2.600 1.400 peak 527 spectrum 1 weight 0.10000E+01 volume 0.16689E-03 ppm1 7.953 ppm2 3.381 CV 1 ASSI { 530} (( segid " " and resid 101 and name HN )) ( segid " " and resid 100 and name HD2%) 3.900 1.900 1.900 peak 530 spectrum 1 weight 0.10000E+01 volume 0.50744E-03 ppm1 7.968 ppm2 0.616 CV 1 ASSI { 532} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.600 0.900 0.900 peak 532 spectrum 1 weight 0.10000E+01 volume 0.29311E-02 ppm1 7.969 ppm2 1.835 CV 1 ASSI { 533} (( segid " " and resid 101 and name HN )) ( segid " " and resid 101 and name HB% ) 2.300 0.700 0.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.88947E-02 ppm1 7.969 ppm2 1.440 CV 1 ASSI { 535} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HN )) 2.500 0.800 0.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.37867E-02 ppm1 7.969 ppm2 8.221 CV 1 ASSI { 536} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HA )) 3.700 1.700 1.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.61587E-03 ppm1 7.969 ppm2 4.423 CV 1 ASSI { 537} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HN )) 2.700 0.900 0.900 peak 537 spectrum 1 weight 0.10000E+01 volume 0.25075E-02 ppm1 7.970 ppm2 7.328 CV 1 ASSI { 538} (( segid " " and resid 101 and name HN )) (( segid " " and resid 103 and name HN )) 4.600 2.700 1.400 peak 538 spectrum 1 weight 0.10000E+01 volume 0.19992E-03 ppm1 7.970 ppm2 7.147 CV 1 ASSI { 540} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) 2.900 1.000 1.000 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 7.991 ppm2 4.010 CV 1 ASSI { 541} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 541 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 7.992 ppm2 2.075 CV 1 ASSI { 542} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.900 1.900 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.30073E-03 ppm1 7.992 ppm2 1.144 CV 1 ASSI { 543} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.38799E-02 ppm1 7.993 ppm2 8.354 CV 1 ASSI { 545} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.200 0.600 0.600 peak 545 spectrum 1 weight 0.10000E+01 volume 0.81834E-02 ppm1 7.995 ppm2 2.883 CV 1 ASSI { 546} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HG2%) 3.800 1.800 1.800 peak 546 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.995 ppm2 0.859 CV 1 ASSI { 547} (( segid " " and resid 56 and name HN )) ( segid " " and resid 55 and name HG1%) 3.400 1.500 1.500 peak 547 spectrum 1 weight 0.10000E+01 volume 0.98270E-03 ppm1 7.995 ppm2 0.729 CV 1 ASSI { 548} (( segid " " and resid 56 and name HN )) (( segid " " and resid 54 and name HA )) 3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.46762E-03 ppm1 7.995 ppm2 4.204 CV 1 ASSI { 549} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD2 )) 3.600 1.700 1.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.14317E-02 ppm1 7.996 ppm2 1.629 CV 1 OR { 549} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD3 )) ASSI { 551} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 2.800 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.28464E-02 ppm1 7.996 ppm2 4.402 CV 1 ASSI { 552} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB )) 2.500 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.36003E-02 ppm1 7.996 ppm2 2.016 CV 1 ASSI { 553} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.400 1.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.80222E-03 ppm1 7.996 ppm2 3.511 CV 1 ASSI { 555} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB3 )) 2.800 1.000 1.000 peak 555 spectrum 1 weight 0.10000E+01 volume 0.24482E-02 ppm1 7.997 ppm2 1.847 CV 1 ASSI { 556} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HG12)) 3.400 1.500 1.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.20331E-02 ppm1 7.997 ppm2 1.643 CV 1 ASSI { 557} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HG13)) 3.100 1.200 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11775E-02 ppm1 7.997 ppm2 1.163 CV 1 ASSI { 558} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HG2%) 4.200 2.200 1.800 peak 558 spectrum 1 weight 0.10000E+01 volume 0.76497E-03 ppm1 7.997 ppm2 0.993 CV 1 ASSI { 559} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.22618E-02 ppm1 7.997 ppm2 3.874 CV 1 ASSI { 562} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HA )) 3.200 1.300 1.300 peak 562 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 7.998 ppm2 4.427 CV 1 ASSI { 563} (( segid " " and resid 104 and name HN )) (( segid " " and resid 101 and name HA )) 3.200 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.10674E-02 ppm1 7.998 ppm2 4.104 CV 1 ASSI { 564} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HB3 )) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 7.998 ppm2 2.593 CV 1 ASSI { 567} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HN )) 4.200 2.200 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.57606E-03 ppm1 7.998 ppm2 7.325 CV 1 ASSI { 569} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HN )) 3.900 3.900 2.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.40917E-03 ppm1 7.999 ppm2 7.632 CV 1 ASSI { 571} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG3 )) 3.200 1.200 1.200 peak 571 spectrum 1 weight 0.10000E+01 volume 0.31598E-02 ppm1 8.000 ppm2 1.314 CV 1 OR { 571} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG2 )) ASSI { 572} (( segid " " and resid 25 and name HN )) (( segid " " and resid 20 and name HG2 )) 4.900 3.100 1.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14147E-03 ppm1 8.000 ppm2 2.769 CV 1 ASSI { 573} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HG13)) 4.100 2.100 1.900 peak 573 spectrum 1 weight 0.10000E+01 volume 0.39646E-03 ppm1 8.000 ppm2 1.284 CV 1 ASSI { 574} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 3.400 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.62350E-03 ppm1 8.001 ppm2 8.133 CV 1 ASSI { 575} (( segid " " and resid 104 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 8.002 ppm2 4.647 CV 1 ASSI { 576} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HA )) 3.900 1.900 1.900 peak 576 spectrum 1 weight 0.10000E+01 volume 0.52270E-03 ppm1 8.005 ppm2 3.907 CV 1 ASSI { 577} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HG12)) 4.600 2.700 1.400 peak 577 spectrum 1 weight 0.10000E+01 volume 0.36681E-03 ppm1 8.018 ppm2 1.676 CV 1 ASSI { 580} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 580 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 8.025 ppm2 4.296 CV 1 ASSI { 581} (( segid " " and resid 105 and name HN )) (( segid " " and resid 101 and name HA )) 3.400 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.76583E-03 ppm1 8.025 ppm2 4.105 CV 1 ASSI { 582} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB2 )) 3.600 1.600 1.600 peak 582 spectrum 1 weight 0.10000E+01 volume 0.84203E-03 ppm1 8.025 ppm2 2.670 CV 1 ASSI { 583} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HB3 )) 2.800 1.000 1.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.46084E-02 ppm1 8.025 ppm2 2.006 CV 1 ASSI { 584} (( segid " " and resid 105 and name HN )) (( segid " " and resid 106 and name HN )) 3.500 1.600 1.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.67094E-03 ppm1 8.025 ppm2 7.799 CV 1 ASSI { 585} (( segid " " and resid 105 and name HN )) (( segid " " and resid 103 and name HN )) 4.600 2.600 1.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.41425E-03 ppm1 8.025 ppm2 7.131 CV 1 ASSI { 586} (( segid " " and resid 105 and name HN )) ( segid " " and resid 101 and name HB% ) 4.100 2.100 1.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.44475E-03 ppm1 8.025 ppm2 1.432 CV 1 ASSI { 587} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HA )) 2.900 1.100 1.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.23042E-02 ppm1 8.026 ppm2 4.641 CV 1 ASSI { 588} (( segid " " and resid 105 and name HN )) (( segid " " and resid 104 and name HB3 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.69635E-03 ppm1 8.026 ppm2 2.590 CV 1 ASSI { 589} (( segid " " and resid 105 and name HN )) (( segid " " and resid 105 and name HG2 )) 3.400 1.500 1.500 peak 589 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 8.026 ppm2 2.279 CV 1 ASSI { 596} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB2 )) 2.500 0.800 0.800 peak 596 spectrum 1 weight 0.10000E+01 volume 0.36427E-02 ppm1 8.036 ppm2 2.079 CV 1 ASSI { 597} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB3 )) 3.200 1.300 1.300 peak 597 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 8.036 ppm2 1.128 CV 1 ASSI { 598} (( segid " " and resid 25 and name HN )) ( segid " " and resid 38 and name HG2%) 4.200 2.200 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.38629E-03 ppm1 8.038 ppm2 0.811 CV 1 OR { 598} (( segid " " and resid 25 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 600} (( segid " " and resid 65 and name HN )) (( segid " " and resid 85 and name HB )) 3.600 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.59132E-03 ppm1 8.075 ppm2 1.771 CV 1 ASSI { 601} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HA )) 3.100 1.200 1.200 peak 601 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 8.076 ppm2 5.684 CV 1 ASSI { 602} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.300 2.400 1.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.49810E-03 ppm1 8.076 ppm2 3.167 CV 1 ASSI { 603} (( segid " " and resid 65 and name HN )) (( segid " " and resid 65 and name HB )) 3.700 1.700 1.700 peak 603 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.076 ppm2 2.252 CV 1 ASSI { 604} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HA )) 2.200 0.600 0.600 peak 604 spectrum 1 weight 0.10000E+01 volume 0.94881E-02 ppm1 8.077 ppm2 5.425 CV 1 ASSI { 605} (( segid " " and resid 65 and name HN )) ( segid " " and resid 65 and name HG2%) 2.600 0.800 0.800 peak 605 spectrum 1 weight 0.10000E+01 volume 0.43458E-02 ppm1 8.077 ppm2 0.748 CV 1 ASSI { 606} (( segid " " and resid 65 and name HN )) (( segid " " and resid 10 and name HN )) 4.200 2.200 1.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.83867E-03 ppm1 8.077 ppm2 7.714 CV 1 ASSI { 608} (( segid " " and resid 65 and name HN )) (( segid " " and resid 84 and name HA )) 3.300 1.300 1.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10844E-02 ppm1 8.078 ppm2 4.737 CV 1 ASSI { 609} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HB% ) 3.600 1.600 1.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 8.079 ppm2 1.049 CV 1 ASSI { 610} (( segid " " and resid 65 and name HN )) (( segid " " and resid 83 and name HN )) 3.500 1.600 1.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 8.079 ppm2 9.392 CV 1 ASSI { 611} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 3.800 1.800 1.800 peak 611 spectrum 1 weight 0.10000E+01 volume 0.62265E-03 ppm1 8.079 ppm2 8.840 CV 1 ASSI { 612} (( segid " " and resid 65 and name HN )) (( segid " " and resid 85 and name HA )) 3.800 1.800 1.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.61331E-03 ppm1 8.082 ppm2 3.323 CV 1 ASSI { 614} (( segid " " and resid 6 and name HN )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.49559E-03 ppm1 8.105 ppm2 8.578 CV 1 ASSI { 615} (( segid " " and resid 6 and name HN )) (( segid " " and resid 37 and name HN )) 3.900 1.900 1.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.48033E-03 ppm1 8.111 ppm2 7.192 CV 1 ASSI { 616} (( segid " " and resid 6 and name HN )) (( segid " " and resid 58 and name HA1 )) 4.900 3.000 1.100 peak 616 spectrum 1 weight 0.10000E+01 volume 0.49896E-03 ppm1 8.112 ppm2 3.625 CV 1 ASSI { 617} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 617 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 8.113 ppm2 5.438 CV 1 ASSI { 618} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HA )) 2.100 0.600 0.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.68872E-02 ppm1 8.113 ppm2 4.524 CV 1 ASSI { 619} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG12)) 2.800 1.000 1.000 peak 619 spectrum 1 weight 0.10000E+01 volume 0.28972E-02 ppm1 8.113 ppm2 1.562 CV 1 OR { 619} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HG13)) ASSI { 620} (( segid " " and resid 6 and name HN )) ( segid " " and resid 6 and name HD1%) 2.100 0.600 0.600 peak 620 spectrum 1 weight 0.10000E+01 volume 0.50659E-02 ppm1 8.113 ppm2 1.102 CV 1 ASSI { 621} (( segid " " and resid 6 and name HN )) (( segid " " and resid 61 and name HA )) 3.000 1.100 1.100 peak 621 spectrum 1 weight 0.10000E+01 volume 0.11521E-02 ppm1 8.114 ppm2 4.960 CV 1 ASSI { 622} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HG2%) 2.400 0.700 0.700 peak 622 spectrum 1 weight 0.10000E+01 volume 0.41425E-02 ppm1 8.114 ppm2 0.840 CV 1 ASSI { 624} (( segid " " and resid 6 and name HN )) (( segid " " and resid 58 and name HA2 )) 4.800 2.900 1.200 peak 624 spectrum 1 weight 0.10000E+01 volume 0.32953E-03 ppm1 8.114 ppm2 3.161 CV 1 ASSI { 626} (( segid " " and resid 6 and name HN )) (( segid " " and resid 59 and name HN )) 4.800 2.800 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.24228E-03 ppm1 8.115 ppm2 9.346 CV 1 ASSI { 628} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HB )) 3.900 1.900 1.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.54640E-03 ppm1 8.116 ppm2 2.182 CV 1 ASSI { 629} (( segid " " and resid 6 and name HN )) ( segid " " and resid 61 and name HG1%) 4.800 2.900 1.200 peak 629 spectrum 1 weight 0.10000E+01 volume 0.28718E-03 ppm1 8.118 ppm2 0.202 CV 1 ASSI { 631} (( segid " " and resid 24 and name HN )) (( segid " " and resid 89 and name HG13)) 5.000 3.100 1.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.25583E-03 ppm1 8.126 ppm2 0.535 CV 1 ASSI { 633} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.500 0.800 0.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.50403E-02 ppm1 8.130 ppm2 4.135 CV 1 ASSI { 634} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.800 0.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.39053E-02 ppm1 8.130 ppm2 8.423 CV 1 ASSI { 636} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HB% ) 2.300 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.86407E-02 ppm1 8.131 ppm2 1.439 CV 1 ASSI { 638} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HG3 )) 3.200 1.300 1.300 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 8.131 ppm2 2.337 CV 1 ASSI { 639} (( segid " " and resid 24 and name HN )) (( segid " " and resid 89 and name HA )) 6.000 5.100 0.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.74208E-04 ppm1 8.132 ppm2 3.310 CV 1 ASSI { 641} (( segid " " and resid 11 and name HN )) (( segid " " and resid 18 and name HA )) 4.400 2.400 1.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.24906E-03 ppm1 8.139 ppm2 3.526 CV 1 ASSI { 642} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HA )) 3.100 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 8.140 ppm2 5.167 CV 1 ASSI { 643} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 8.140 ppm2 3.008 CV 1 ASSI { 644} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB3 )) 3.000 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 8.140 ppm2 2.797 CV 1 ASSI { 645} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HB% ) 3.000 1.100 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.22280E-02 ppm1 8.140 ppm2 1.219 CV 1 ASSI { 646} (( segid " " and resid 11 and name HN )) ( segid " " and resid 18 and name HG2%) 3.800 1.800 1.800 peak 646 spectrum 1 weight 0.10000E+01 volume 0.53199E-03 ppm1 8.140 ppm2 0.984 CV 1 ASSI { 648} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HG2%) 2.400 2.400 3.600 peak 648 spectrum 1 weight 0.10000E+01 volume 0.56673E-02 ppm1 8.144 ppm2 0.867 CV 1 ASSI { 651} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.300 1.400 1.400 peak 651 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 8.148 ppm2 2.498 CV 1 ASSI { 652} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HA )) 3.400 1.500 1.500 peak 652 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 8.149 ppm2 4.196 CV 1 ASSI { 653} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.30582E-02 ppm1 8.149 ppm2 3.030 CV 1 ASSI { 655} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 655 spectrum 1 weight 0.10000E+01 volume 0.11267E-02 ppm1 8.150 ppm2 3.859 CV 1 ASSI { 656} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.900 1.000 1.000 peak 656 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 8.150 ppm2 3.518 CV 1 ASSI { 657} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB )) 2.400 0.700 0.700 peak 657 spectrum 1 weight 0.10000E+01 volume 0.55573E-02 ppm1 8.150 ppm2 2.016 CV 1 ASSI { 658} (( segid " " and resid 55 and name HN )) ( segid " " and resid 55 and name HG1%) 3.200 1.200 1.200 peak 658 spectrum 1 weight 0.10000E+01 volume 0.38545E-02 ppm1 8.150 ppm2 0.730 CV 1 ASSI { 659} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HA )) 3.800 1.800 1.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.46677E-03 ppm1 8.150 ppm2 4.012 CV 1 ASSI { 660} (( segid " " and resid 55 and name HN )) (( segid " " and resid 53 and name HB3 )) 3.200 3.200 2.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.18468E-02 ppm1 8.150 ppm2 1.702 CV 1 ASSI { 661} (( segid " " and resid 55 and name HN )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.44221E-03 ppm1 8.151 ppm2 9.370 CV 1 ASSI { 665} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HB3 )) 3.800 1.800 1.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.13893E-02 ppm1 8.160 ppm2 1.928 CV 1 ASSI { 666} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HD1%) 4.200 2.200 1.800 peak 666 spectrum 1 weight 0.10000E+01 volume 0.28888E-03 ppm1 8.161 ppm2 0.859 CV 1 OR { 666} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 668} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA1 )) 2.800 1.000 1.000 peak 668 spectrum 1 weight 0.10000E+01 volume 0.28972E-02 ppm1 8.162 ppm2 4.135 CV 1 ASSI { 669} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 4.100 2.100 1.900 peak 669 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 8.162 ppm2 7.422 CV 1 ASSI { 670} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HB3 )) 4.300 2.300 1.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.54469E-03 ppm1 8.162 ppm2 1.347 CV 1 ASSI { 673} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.400 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.46508E-02 ppm1 8.163 ppm2 7.853 CV 1 ASSI { 674} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HB2 )) 3.600 1.600 1.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.163 ppm2 2.375 CV 1 ASSI { 675} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.700 2.700 3.300 peak 675 spectrum 1 weight 0.10000E+01 volume 0.42187E-02 ppm1 8.164 ppm2 2.110 CV 1 ASSI { 676} (( segid " " and resid 34 and name HN )) ( segid " " and resid 29 and name HB% ) 3.400 1.400 1.400 peak 676 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 8.164 ppm2 1.211 CV 1 ASSI { 677} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD21)) 3.300 1.400 1.400 peak 677 spectrum 1 weight 0.10000E+01 volume 0.62350E-03 ppm1 8.164 ppm2 5.714 CV 1 ASSI { 678} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.24821E-02 ppm1 8.165 ppm2 5.204 CV 1 ASSI { 679} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HD3 )) 3.000 1.100 1.100 peak 679 spectrum 1 weight 0.10000E+01 volume 0.17790E-02 ppm1 8.165 ppm2 2.878 CV 1 ASSI { 680} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HG3 )) 3.000 1.100 1.100 peak 680 spectrum 1 weight 0.10000E+01 volume 0.16435E-02 ppm1 8.165 ppm2 1.658 CV 1 OR { 680} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HG2 )) ASSI { 681} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.82341E-03 ppm1 8.165 ppm2 8.763 CV 1 ASSI { 682} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 682 spectrum 1 weight 0.10000E+01 volume 0.62350E-02 ppm1 8.166 ppm2 2.818 CV 1 ASSI { 683} (( segid " " and resid 3 and name HE )) (( segid " " and resid 3 and name HD2 )) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 8.168 ppm2 3.252 CV 1 ASSI { 684} (( segid " " and resid 3 and name HE )) ( segid " " and resid 100 and name HD2%) 3.600 1.600 1.600 peak 684 spectrum 1 weight 0.10000E+01 volume 0.60147E-03 ppm1 8.173 ppm2 0.611 CV 1 OR { 684} (( segid " " and resid 3 and name HE )) ( segid " " and resid 100 and name HD1%) ASSI { 686} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.14909E-02 ppm1 8.176 ppm2 4.396 CV 1 ASSI { 688} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HG2%) 3.300 1.300 1.300 peak 688 spectrum 1 weight 0.10000E+01 volume 0.13554E-02 ppm1 8.176 ppm2 1.179 CV 1 ASSI { 689} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB2 )) 4.300 2.300 1.700 peak 689 spectrum 1 weight 0.10000E+01 volume 0.36003E-03 ppm1 8.176 ppm2 2.999 CV 1 ASSI { 691} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HA )) 4.500 2.500 1.500 peak 691 spectrum 1 weight 0.10000E+01 volume 0.27278E-03 ppm1 8.177 ppm2 5.157 CV 1 ASSI { 692} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 3.300 1.300 1.300 peak 692 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 8.177 ppm2 10.628 CV 1 ASSI { 694} (( segid " " and resid 13 and name HN )) ( segid " " and resid 12 and name HB% ) 2.800 1.000 1.000 peak 694 spectrum 1 weight 0.10000E+01 volume 0.26854E-02 ppm1 8.181 ppm2 1.461 CV 1 ASSI { 695} (( segid " " and resid 2 and name HN )) ( segid " " and resid 35 and name HD1%) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.63365E-03 ppm1 8.205 ppm2 0.847 CV 1 OR { 695} (( segid " " and resid 2 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 696} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG2 )) 4.400 2.400 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.36258E-03 ppm1 8.216 ppm2 2.539 CV 1 OR { 696} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HG3 )) ASSI { 697} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HB2 )) 2.600 2.600 3.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.37697E-02 ppm1 8.217 ppm2 1.820 CV 1 ASSI { 698} (( segid " " and resid 2 and name HN )) (( segid " " and resid 34 and name HA )) 4.000 2.000 2.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.69805E-03 ppm1 8.217 ppm2 5.204 CV 1 ASSI { 699} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HA )) 2.600 0.900 0.900 peak 699 spectrum 1 weight 0.10000E+01 volume 0.38799E-02 ppm1 8.218 ppm2 4.476 CV 1 ASSI { 700} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HA )) 3.100 1.200 1.200 peak 700 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.218 ppm2 4.322 CV 1 ASSI { 701} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG2 )) 2.800 1.000 1.000 peak 701 spectrum 1 weight 0.10000E+01 volume 0.30158E-02 ppm1 8.218 ppm2 1.511 CV 1 OR { 701} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HG3 )) ASSI { 702} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB3 )) 3.000 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 8.219 ppm2 2.038 CV 1 OR { 702} (( segid " " and resid 2 and name HN )) (( segid " " and resid 1 and name HB2 )) ASSI { 703} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD2%) 3.800 1.800 1.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 8.219 ppm2 0.618 CV 1 OR { 703} (( segid " " and resid 100 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 704} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HD2 )) 4.200 2.200 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.55995E-03 ppm1 8.219 ppm2 3.256 CV 1 ASSI { 705} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB2 )) 2.300 0.700 0.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.60147E-02 ppm1 8.220 ppm2 1.659 CV 1 ASSI { 706} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB3 )) 2.800 1.000 1.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.26600E-02 ppm1 8.220 ppm2 1.327 CV 1 ASSI { 707} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HE2 )) 4.900 3.000 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.17112E-03 ppm1 8.220 ppm2 2.953 CV 1 OR { 707} (( segid " " and resid 2 and name HN )) (( segid " " and resid 2 and name HE3 )) ASSI { 708} (( segid " " and resid 3 and name HN )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 708 spectrum 1 weight 0.10000E+01 volume 0.25160E-02 ppm1 8.221 ppm2 5.204 CV 1 ASSI { 709} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.33462E-02 ppm1 8.221 ppm2 4.326 CV 1 ASSI { 710} (( segid " " and resid 3 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.700 1.700 1.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13470E-02 ppm1 8.221 ppm2 2.855 CV 1 ASSI { 711} (( segid " " and resid 3 and name HN )) (( segid " " and resid 34 and name HD22)) 4.000 2.000 2.000 peak 711 spectrum 1 weight 0.10000E+01 volume 0.59725E-03 ppm1 8.221 ppm2 7.798 CV 1 ASSI { 712} (( segid " " and resid 3 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.900 1.000 1.000 peak 712 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 8.222 ppm2 2.079 CV 1 ASSI { 713} (( segid " " and resid 3 and name HN )) (( segid " " and resid 35 and name HN )) 3.000 1.100 1.100 peak 713 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 8.222 ppm2 8.770 CV 1 ASSI { 714} (( segid " " and resid 3 and name HN )) (( segid " " and resid 4 and name HN )) 2.900 2.900 3.100 peak 714 spectrum 1 weight 0.10000E+01 volume 0.41764E-02 ppm1 8.222 ppm2 8.868 CV 1 ASSI { 715} (( segid " " and resid 100 and name HN )) (( segid " " and resid 97 and name HA )) 3.200 1.300 1.300 peak 715 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 8.223 ppm2 4.416 CV 1 ASSI { 717} (( segid " " and resid 3 and name HN )) ( segid " " and resid 35 and name HD1%) 4.100 2.100 1.900 peak 717 spectrum 1 weight 0.10000E+01 volume 0.47270E-03 ppm1 8.224 ppm2 0.839 CV 1 OR { 717} (( segid " " and resid 3 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 718} (( segid " " and resid 3 and name HN )) (( segid " " and resid 34 and name HD21)) 4.100 2.100 1.900 peak 718 spectrum 1 weight 0.10000E+01 volume 0.63113E-03 ppm1 8.224 ppm2 5.708 CV 1 ASSI { 719} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB2 )) 2.100 2.100 3.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.10505E-01 ppm1 8.225 ppm2 1.802 CV 1 ASSI { 721} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HG )) 2.800 1.000 1.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.20670E-02 ppm1 8.225 ppm2 0.807 CV 1 ASSI { 723} (( segid " " and resid 3 and name HN )) ( segid " " and resid 5 and name HD1%) 4.000 2.000 2.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.58877E-03 ppm1 8.226 ppm2 0.687 CV 1 ASSI { 725} (( segid " " and resid 100 and name HN )) (( segid " " and resid 96 and name HA )) 3.800 1.800 1.800 peak 725 spectrum 1 weight 0.10000E+01 volume 0.42950E-03 ppm1 8.227 ppm2 3.371 CV 1 ASSI { 726} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HA )) 3.000 1.100 1.100 peak 726 spectrum 1 weight 0.10000E+01 volume 0.13215E-02 ppm1 8.228 ppm2 4.654 CV 1 ASSI { 727} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.600 0.900 0.900 peak 727 spectrum 1 weight 0.10000E+01 volume 0.40493E-02 ppm1 8.247 ppm2 2.030 CV 1 ASSI { 729} (( segid " " and resid 15 and name HN )) ( segid " " and resid 16 and name HB% ) 4.800 2.900 1.200 peak 729 spectrum 1 weight 0.10000E+01 volume 0.33970E-03 ppm1 8.247 ppm2 1.377 CV 1 ASSI { 731} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG2%) 3.300 1.400 1.400 peak 731 spectrum 1 weight 0.10000E+01 volume 0.94881E-03 ppm1 8.252 ppm2 0.923 CV 1 ASSI { 733} (( segid " " and resid 29 and name HN )) ( segid " " and resid 92 and name HB% ) 3.400 1.400 1.400 peak 733 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 8.275 ppm2 1.429 CV 1 ASSI { 735} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.700 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.27108E-02 ppm1 8.277 ppm2 3.242 CV 1 ASSI { 736} (( segid " " and resid 29 and name HN )) ( segid " " and resid 29 and name HB% ) 2.300 0.700 0.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.76748E-02 ppm1 8.277 ppm2 1.213 CV 1 ASSI { 738} (( segid " " and resid 29 and name HN )) (( segid " " and resid 32 and name HN )) 4.100 2.100 1.900 peak 738 spectrum 1 weight 0.10000E+01 volume 0.40324E-03 ppm1 8.277 ppm2 7.414 CV 1 ASSI { 742} (( segid " " and resid 29 and name HN )) (( segid " " and resid 31 and name HN )) 3.700 1.700 1.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.72767E-03 ppm1 8.278 ppm2 7.932 CV 1 ASSI { 744} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG1%) 3.800 1.800 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.286 ppm2 0.191 CV 1 ASSI { 745} (( segid " " and resid 61 and name HN )) ( segid " " and resid 80 and name HG2%) 4.400 2.400 1.600 peak 745 spectrum 1 weight 0.10000E+01 volume 0.34648E-03 ppm1 8.286 ppm2 0.332 CV 1 ASSI { 746} (( segid " " and resid 61 and name HN )) ( segid " " and resid 79 and name HG1%) 3.500 1.600 1.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.69720E-03 ppm1 8.287 ppm2 0.831 CV 1 ASSI { 747} (( segid " " and resid 61 and name HN )) ( segid " " and resid 61 and name HG2%) 2.500 0.800 0.800 peak 747 spectrum 1 weight 0.10000E+01 volume 0.45660E-02 ppm1 8.287 ppm2 0.685 CV 1 ASSI { 749} (( segid " " and resid 61 and name HN )) (( segid " " and resid 80 and name HA )) 2.900 1.100 1.100 peak 749 spectrum 1 weight 0.10000E+01 volume 0.19653E-02 ppm1 8.288 ppm2 4.684 CV 1 ASSI { 750} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HB )) 3.400 1.400 1.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 8.288 ppm2 2.079 CV 1 ASSI { 751} (( segid " " and resid 61 and name HN )) (( segid " " and resid 60 and name HA )) 2.300 0.700 0.700 peak 751 spectrum 1 weight 0.10000E+01 volume 0.72682E-02 ppm1 8.288 ppm2 4.404 CV 1 ASSI { 752} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HB )) 2.500 0.800 0.800 peak 752 spectrum 1 weight 0.10000E+01 volume 0.39307E-02 ppm1 8.288 ppm2 1.737 CV 1 ASSI { 753} (( segid " " and resid 61 and name HN )) ( segid " " and resid 60 and name HG1%) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.59976E-02 ppm1 8.288 ppm2 0.968 CV 1 ASSI { 754} (( segid " " and resid 61 and name HN )) ( segid " " and resid 80 and name HG1%) 4.400 2.400 1.600 peak 754 spectrum 1 weight 0.10000E+01 volume 0.40493E-03 ppm1 8.288 ppm2 -0.164 CV 1 ASSI { 755} (( segid " " and resid 61 and name HN )) (( segid " " and resid 61 and name HA )) 2.900 1.100 1.100 peak 755 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 8.289 ppm2 4.959 CV 1 ASSI { 761} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HA )) 2.200 0.600 0.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.10759E-01 ppm1 8.323 ppm2 4.078 CV 1 ASSI { 762} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB3 )) 2.700 0.900 0.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.35156E-02 ppm1 8.323 ppm2 1.664 CV 1 OR { 762} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB2 )) ASSI { 764} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG2%) 3.800 1.800 1.800 peak 764 spectrum 1 weight 0.10000E+01 volume 0.54303E-03 ppm1 8.323 ppm2 0.379 CV 1 ASSI { 765} (( segid " " and resid 69 and name HN )) ( segid " " and resid 69 and name HG1%) 2.600 0.800 0.800 peak 765 spectrum 1 weight 0.10000E+01 volume 0.46847E-02 ppm1 8.323 ppm2 0.002 CV 1 ASSI { 766} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HA )) 2.800 1.000 1.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 8.324 ppm2 3.303 CV 1 ASSI { 768} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.41510E-03 ppm1 8.324 ppm2 1.984 CV 1 ASSI { 770} (( segid " " and resid 27 and name HN )) (( segid " " and resid 24 and name HA )) 2.900 1.000 1.000 peak 770 spectrum 1 weight 0.10000E+01 volume 0.24482E-02 ppm1 8.348 ppm2 4.132 CV 1 ASSI { 771} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HD3 )) 3.300 1.300 1.300 peak 771 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 8.348 ppm2 1.606 CV 1 ASSI { 775} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 775 spectrum 1 weight 0.10000E+01 volume 0.18298E-02 ppm1 8.351 ppm2 3.986 CV 1 ASSI { 777} (( segid " " and resid 27 and name HN )) (( segid " " and resid 28 and name HA2 )) 4.100 2.100 1.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 8.354 ppm2 3.232 CV 1 ASSI { 778} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HA )) 3.400 1.500 1.500 peak 778 spectrum 1 weight 0.10000E+01 volume 0.79545E-03 ppm1 8.370 ppm2 3.578 CV 1 ASSI { 779} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HA )) 2.900 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.20162E-02 ppm1 8.373 ppm2 3.381 CV 1 ASSI { 780} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HN )) 2.600 0.800 0.800 peak 780 spectrum 1 weight 0.10000E+01 volume 0.30751E-02 ppm1 8.374 ppm2 7.144 CV 1 ASSI { 782} (( segid " " and resid 96 and name HN )) (( segid " " and resid 95 and name HB )) 2.600 0.800 0.800 peak 782 spectrum 1 weight 0.10000E+01 volume 0.38290E-02 ppm1 8.374 ppm2 2.107 CV 1 ASSI { 783} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG12)) 2.300 0.700 0.700 peak 783 spectrum 1 weight 0.10000E+01 volume 0.81071E-02 ppm1 8.374 ppm2 1.700 CV 1 OR { 783} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HB )) ASSI { 784} (( segid " " and resid 96 and name HN )) ( segid " " and resid 95 and name HG2%) 4.400 2.400 1.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.32445E-03 ppm1 8.374 ppm2 0.845 CV 1 ASSI { 786} (( segid " " and resid 96 and name HN )) (( segid " " and resid 94 and name HN )) 4.300 2.300 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.31852E-03 ppm1 8.374 ppm2 7.666 CV 1 ASSI { 787} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HD1%) 3.800 1.800 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.375 ppm2 0.718 CV 1 OR { 787} (( segid " " and resid 96 and name HN )) ( segid " " and resid 96 and name HG2%) ASSI { 788} (( segid " " and resid 96 and name HN )) (( segid " " and resid 98 and name HN )) 4.200 2.200 1.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.33292E-03 ppm1 8.375 ppm2 7.941 CV 1 ASSI { 789} (( segid " " and resid 96 and name HN )) (( segid " " and resid 97 and name HB2 )) 3.300 1.400 1.400 peak 789 spectrum 1 weight 0.10000E+01 volume 0.25499E-02 ppm1 8.377 ppm2 2.776 CV 1 ASSI { 790} (( segid " " and resid 96 and name HN )) (( segid " " and resid 96 and name HG13)) 2.800 1.000 1.000 peak 790 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 8.380 ppm2 0.569 CV 1 ASSI { 793} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB2 )) 3.600 1.600 1.600 peak 793 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 8.387 ppm2 1.734 CV 1 ASSI { 794} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HB3 )) 2.900 1.000 1.000 peak 794 spectrum 1 weight 0.10000E+01 volume 0.24313E-02 ppm1 8.388 ppm2 1.612 CV 1 ASSI { 796} (( segid " " and resid 36 and name HN )) ( segid " " and resid 36 and name HG2%) 2.900 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.20585E-02 ppm1 8.389 ppm2 0.747 CV 1 ASSI { 798} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 798 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 8.390 ppm2 5.659 CV 1 ASSI { 799} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) 2.200 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.89796E-02 ppm1 8.390 ppm2 4.621 CV 1 ASSI { 800} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 3.300 1.400 1.400 peak 800 spectrum 1 weight 0.10000E+01 volume 0.73701E-03 ppm1 8.393 ppm2 2.932 CV 1 ASSI { 801} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HG3 )) 4.700 2.700 1.300 peak 801 spectrum 1 weight 0.10000E+01 volume 0.24482E-03 ppm1 8.393 ppm2 2.384 CV 1 OR { 801} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 802} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 2.400 2.400 3.600 peak 802 spectrum 1 weight 0.10000E+01 volume 0.64635E-02 ppm1 8.394 ppm2 4.656 CV 1 ASSI { 803} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.17875E-02 ppm1 8.394 ppm2 4.003 CV 1 ASSI { 804} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB3 )) 2.500 0.800 0.800 peak 804 spectrum 1 weight 0.10000E+01 volume 0.39307E-02 ppm1 8.394 ppm2 1.880 CV 1 ASSI { 805} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HN )) 3.100 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 8.394 ppm2 9.171 CV 1 ASSI { 806} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB3 )) 3.800 1.800 1.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 8.394 ppm2 2.715 CV 1 ASSI { 807} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HG1%) 3.300 1.300 1.300 peak 807 spectrum 1 weight 0.10000E+01 volume 0.10928E-02 ppm1 8.394 ppm2 0.017 CV 1 ASSI { 808} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 808 spectrum 1 weight 0.10000E+01 volume 0.75312E-03 ppm1 8.394 ppm2 7.198 CV 1 ASSI { 810} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 810 spectrum 1 weight 0.10000E+01 volume 0.21094E-02 ppm1 8.395 ppm2 9.958 CV 1 ASSI { 812} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.600 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.59047E-03 ppm1 8.396 ppm2 1.972 CV 1 ASSI { 813} (( segid " " and resid 72 and name HN )) ( segid " " and resid 69 and name HG2%) 3.300 1.400 1.400 peak 813 spectrum 1 weight 0.10000E+01 volume 0.79801E-03 ppm1 8.396 ppm2 0.379 CV 1 ASSI { 816} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) 5.800 4.200 0.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.53625E-04 ppm1 8.403 ppm2 1.757 CV 1 OR { 816} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG3 )) ASSI { 818} (( segid " " and resid 28 and name HN )) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.39477E-03 ppm1 8.406 ppm2 7.714 CV 1 ASSI { 819} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.800 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.42187E-02 ppm1 8.407 ppm2 3.879 CV 1 ASSI { 820} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.300 0.700 0.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.61080E-02 ppm1 8.408 ppm2 3.243 CV 1 ASSI { 821} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.500 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.42442E-02 ppm1 8.408 ppm2 1.855 CV 1 ASSI { 822} (( segid " " and resid 28 and name HN )) ( segid " " and resid 29 and name HB% ) 4.100 2.200 1.900 peak 822 spectrum 1 weight 0.10000E+01 volume 0.72516E-03 ppm1 8.408 ppm2 1.212 CV 1 ASSI { 825} (( segid " " and resid 23 and name HN )) ( segid " " and resid 38 and name HG1%) 4.200 2.200 1.800 peak 825 spectrum 1 weight 0.10000E+01 volume 0.48369E-03 ppm1 8.423 ppm2 0.838 CV 1 OR { 825} (( segid " " and resid 23 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 827} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.30921E-02 ppm1 8.424 ppm2 7.654 CV 1 ASSI { 830} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HG3 )) 2.800 1.000 1.000 peak 830 spectrum 1 weight 0.10000E+01 volume 0.26261E-02 ppm1 8.424 ppm2 2.343 CV 1 ASSI { 831} (( segid " " and resid 23 and name HN )) ( segid " " and resid 22 and name HB% ) 2.500 0.800 0.800 peak 831 spectrum 1 weight 0.10000E+01 volume 0.51166E-02 ppm1 8.424 ppm2 1.448 CV 1 ASSI { 832} (( segid " " and resid 23 and name HN )) (( segid " " and resid 19 and name HA )) 3.600 1.600 1.600 peak 832 spectrum 1 weight 0.10000E+01 volume 0.70142E-03 ppm1 8.424 ppm2 4.342 CV 1 ASSI { 833} (( segid " " and resid 23 and name HN )) ( segid " " and resid 9 and name HG2%) 4.100 2.100 1.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.47355E-03 ppm1 8.424 ppm2 1.001 CV 1 ASSI { 834} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.500 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.83611E-02 ppm1 8.425 ppm2 2.094 CV 1 ASSI { 835} (( segid " " and resid 16 and name HN )) ( segid " " and resid 16 and name HB% ) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 8.426 ppm2 1.349 CV 1 ASSI { 836} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 3.700 1.700 1.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.54469E-03 ppm1 8.426 ppm2 4.229 CV 1 ASSI { 838} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 4.500 2.600 1.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.22449E-03 ppm1 8.428 ppm2 0.927 CV 1 OR { 838} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 839} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 4.100 2.100 1.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.25922E-03 ppm1 8.429 ppm2 2.037 CV 1 ASSI { 840} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.77175E-03 ppm1 8.432 ppm2 8.253 CV 1 ASSI { 841} (( segid " " and resid 20 and name HN )) ( segid " " and resid 21 and name HB% ) 5.200 3.400 0.800 peak 841 spectrum 1 weight 0.10000E+01 volume 0.18807E-03 ppm1 8.449 ppm2 1.512 CV 1 ASSI { 842} (( segid " " and resid 20 and name HN )) ( segid " " and resid 19 and name HD% ) 5.400 3.600 0.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.10166E-03 ppm1 8.461 ppm2 7.075 CV 1 ASSI { 846} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HA )) 2.900 1.000 1.000 peak 846 spectrum 1 weight 0.10000E+01 volume 0.23127E-02 ppm1 8.463 ppm2 4.161 CV 1 ASSI { 847} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) 3.600 1.600 1.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 8.463 ppm2 2.763 CV 1 ASSI { 848} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 848 spectrum 1 weight 0.10000E+01 volume 0.23381E-02 ppm1 8.464 ppm2 3.035 CV 1 ASSI { 849} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG3 )) 4.000 2.000 2.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.96573E-03 ppm1 8.464 ppm2 2.634 CV 1 ASSI { 850} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HB2 )) 2.900 1.100 1.100 peak 850 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 8.465 ppm2 3.201 CV 1 ASSI { 851} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB3 )) 3.300 1.300 1.300 peak 851 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 8.466 ppm2 1.824 CV 1 ASSI { 853} (( segid " " and resid 41 and name HN )) ( segid " " and resid 10 and name HB% ) 3.100 1.200 1.200 peak 853 spectrum 1 weight 0.10000E+01 volume 0.17197E-02 ppm1 8.467 ppm2 1.214 CV 1 ASSI { 854} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 4.300 2.300 1.700 peak 854 spectrum 1 weight 0.10000E+01 volume 0.41256E-03 ppm1 8.467 ppm2 7.880 CV 1 ASSI { 855} (( segid " " and resid 41 and name HN )) ( segid " " and resid 65 and name HG1%) 3.500 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.79123E-03 ppm1 8.467 ppm2 0.647 CV 1 ASSI { 856} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HA )) 2.300 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.71497E-02 ppm1 8.468 ppm2 5.172 CV 1 ASSI { 857} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.22873E-02 ppm1 8.468 ppm2 4.995 CV 1 ASSI { 859} (( segid " " and resid 41 and name HN )) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 859 spectrum 1 weight 0.10000E+01 volume 0.29904E-03 ppm1 8.469 ppm2 8.854 CV 1 ASSI { 862} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HG2 )) 3.700 1.700 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.472 ppm2 2.422 CV 1 ASSI { 863} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA1 )) 2.500 0.800 0.800 peak 863 spectrum 1 weight 0.10000E+01 volume 0.61080E-02 ppm1 8.476 ppm2 4.416 CV 1 ASSI { 864} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HA2 )) 2.600 0.800 0.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.53540E-02 ppm1 8.477 ppm2 3.816 CV 1 ASSI { 866} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HA )) 2.600 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.31175E-02 ppm1 8.478 ppm2 4.761 CV 1 ASSI { 868} (( segid " " and resid 21 and name HN )) (( segid " " and resid 24 and name HN )) 3.600 3.600 2.400 peak 868 spectrum 1 weight 0.10000E+01 volume 0.73023E-03 ppm1 8.486 ppm2 8.095 CV 1 ASSI { 869} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG3 )) 4.500 2.600 1.500 peak 869 spectrum 1 weight 0.10000E+01 volume 0.30327E-03 ppm1 8.486 ppm2 2.627 CV 1 ASSI { 870} (( segid " " and resid 21 and name HN )) (( segid " " and resid 17 and name HB3 )) 4.200 2.200 1.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.27447E-03 ppm1 8.487 ppm2 2.986 CV 1 ASSI { 871} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 3.600 1.600 1.600 peak 871 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 8.488 ppm2 2.152 CV 1 ASSI { 872} (( segid " " and resid 21 and name HN )) (( segid " " and resid 89 and name HG13)) 4.000 2.000 2.000 peak 872 spectrum 1 weight 0.10000E+01 volume 0.76834E-03 ppm1 8.488 ppm2 0.527 CV 1 ASSI { 873} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HB% ) 2.600 0.800 0.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.37020E-02 ppm1 8.489 ppm2 1.515 CV 1 ASSI { 874} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 4.000 2.000 2.000 peak 874 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 8.489 ppm2 8.981 CV 1 ASSI { 875} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.31090E-02 ppm1 8.490 ppm2 7.657 CV 1 ASSI { 876} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 3.400 1.500 1.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.98270E-03 ppm1 8.490 ppm2 4.161 CV 1 ASSI { 877} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HN )) 4.600 2.700 1.400 peak 877 spectrum 1 weight 0.10000E+01 volume 0.27786E-03 ppm1 8.491 ppm2 9.222 CV 1 ASSI { 878} (( segid " " and resid 21 and name HN )) (( segid " " and resid 18 and name HA )) 3.800 1.800 1.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.44051E-03 ppm1 8.493 ppm2 3.531 CV 1 ASSI { 879} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) 4.400 2.500 1.600 peak 879 spectrum 1 weight 0.10000E+01 volume 0.28549E-03 ppm1 8.493 ppm2 2.765 CV 1 ASSI { 880} (( segid " " and resid 40 and name HN )) (( segid " " and resid 47 and name HN )) 2.700 0.900 0.900 peak 880 spectrum 1 weight 0.10000E+01 volume 0.31514E-02 ppm1 8.497 ppm2 8.996 CV 1 ASSI { 881} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HB2 )) 4.000 2.000 2.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 8.500 ppm2 2.627 CV 1 ASSI { 882} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 882 spectrum 1 weight 0.10000E+01 volume 0.19230E-02 ppm1 8.500 ppm2 0.998 CV 1 ASSI { 883} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA )) 2.300 0.700 0.700 peak 883 spectrum 1 weight 0.10000E+01 volume 0.58706E-02 ppm1 8.501 ppm2 5.013 CV 1 ASSI { 884} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HB )) 3.300 1.400 1.400 peak 884 spectrum 1 weight 0.10000E+01 volume 0.90644E-03 ppm1 8.501 ppm2 3.869 CV 1 ASSI { 885} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG3 )) 3.000 1.100 1.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.501 ppm2 1.958 CV 1 ASSI { 886} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HG2 )) 2.700 0.900 0.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.23212E-02 ppm1 8.502 ppm2 2.346 CV 1 ASSI { 887} (( segid " " and resid 40 and name HN )) ( segid " " and resid 46 and name HG2%) 3.400 1.500 1.500 peak 887 spectrum 1 weight 0.10000E+01 volume 0.99113E-03 ppm1 8.502 ppm2 0.862 CV 1 ASSI { 889} (( segid " " and resid 40 and name HN )) (( segid " " and resid 48 and name HB3 )) 3.400 1.400 1.400 peak 889 spectrum 1 weight 0.10000E+01 volume 0.84630E-03 ppm1 8.502 ppm2 2.844 CV 1 ASSI { 890} (( segid " " and resid 40 and name HN )) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 890 spectrum 1 weight 0.10000E+01 volume 0.65739E-03 ppm1 8.503 ppm2 5.172 CV 1 ASSI { 891} (( segid " " and resid 40 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.500 1.600 1.600 peak 891 spectrum 1 weight 0.10000E+01 volume 0.69971E-03 ppm1 8.503 ppm2 3.401 CV 1 ASSI { 892} (( segid " " and resid 93 and name HN )) ( segid " " and resid 96 and name HD1%) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.44305E-03 ppm1 8.519 ppm2 0.725 CV 1 ASSI { 895} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG2 )) 2.600 0.900 0.900 peak 895 spectrum 1 weight 0.10000E+01 volume 0.41086E-02 ppm1 8.520 ppm2 2.247 CV 1 OR { 895} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HG3 )) ASSI { 896} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HB3 )) 2.600 0.900 0.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.86407E-02 ppm1 8.520 ppm2 2.047 CV 1 ASSI { 897} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HN )) 2.800 1.000 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.23635E-02 ppm1 8.520 ppm2 8.853 CV 1 ASSI { 898} (( segid " " and resid 93 and name HN )) (( segid " " and resid 95 and name HN )) 4.100 2.100 1.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.45660E-03 ppm1 8.520 ppm2 7.150 CV 1 ASSI { 899} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HA )) 3.500 1.500 1.500 peak 899 spectrum 1 weight 0.10000E+01 volume 0.76412E-03 ppm1 8.521 ppm2 4.529 CV 1 ASSI { 900} (( segid " " and resid 93 and name HN )) ( segid " " and resid 92 and name HB% ) 2.700 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.31175E-02 ppm1 8.521 ppm2 1.427 CV 1 ASSI { 901} (( segid " " and resid 93 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.900 1.900 1.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.70649E-03 ppm1 8.522 ppm2 2.868 CV 1 ASSI { 902} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.600 1.700 1.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.15587E-02 ppm1 8.523 ppm2 1.756 CV 1 OR { 902} (( segid " " and resid 93 and name HN )) (( segid " " and resid 94 and name HB3 )) ASSI { 903} (( segid " " and resid 93 and name HN )) (( segid " " and resid 28 and name HA2 )) 4.300 2.300 1.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.21263E-03 ppm1 8.523 ppm2 3.242 CV 1 ASSI { 904} (( segid " " and resid 93 and name HN )) ( segid " " and resid 95 and name HG1%) 4.400 2.400 1.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.29650E-03 ppm1 8.523 ppm2 0.860 CV 1 OR { 904} (( segid " " and resid 93 and name HN )) ( segid " " and resid 95 and name HG2%) ASSI { 905} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG1%) 2.800 1.000 1.000 peak 905 spectrum 1 weight 0.10000E+01 volume 0.22534E-02 ppm1 8.571 ppm2 0.197 CV 1 ASSI { 906} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 4.100 2.100 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.47441E-03 ppm1 8.571 ppm2 9.328 CV 1 ASSI { 907} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG13)) 3.000 1.100 1.100 peak 907 spectrum 1 weight 0.10000E+01 volume 0.17112E-02 ppm1 8.572 ppm2 0.808 CV 1 OR { 907} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HG12)) ASSI { 909} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB )) 3.700 1.700 1.700 peak 909 spectrum 1 weight 0.10000E+01 volume 0.81919E-03 ppm1 8.572 ppm2 1.727 CV 1 ASSI { 912} (( segid " " and resid 62 and name HN )) ( segid " " and resid 6 and name HD1%) 3.500 1.600 1.600 peak 912 spectrum 1 weight 0.10000E+01 volume 0.17536E-02 ppm1 8.573 ppm2 1.110 CV 1 ASSI { 913} (( segid " " and resid 62 and name HN )) (( segid " " and resid 7 and name HA )) 2.600 0.800 0.800 peak 913 spectrum 1 weight 0.10000E+01 volume 0.36003E-02 ppm1 8.574 ppm2 5.763 CV 1 ASSI { 914} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 914 spectrum 1 weight 0.10000E+01 volume 0.51507E-02 ppm1 8.574 ppm2 4.958 CV 1 ASSI { 915} (( segid " " and resid 62 and name HN )) ( segid " " and resid 7 and name HB% ) 3.200 1.300 1.300 peak 915 spectrum 1 weight 0.10000E+01 volume 0.14571E-02 ppm1 8.574 ppm2 1.289 CV 1 ASSI { 916} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HN )) 3.500 1.500 1.500 peak 916 spectrum 1 weight 0.10000E+01 volume 0.13639E-02 ppm1 8.574 ppm2 8.276 CV 1 ASSI { 917} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HA )) 3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 8.575 ppm2 4.818 CV 1 ASSI { 918} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HN )) 2.700 0.900 0.900 peak 918 spectrum 1 weight 0.10000E+01 volume 0.26600E-02 ppm1 8.725 ppm2 8.378 CV 1 ASSI { 921} (( segid " " and resid 97 and name HN )) (( segid " " and resid 93 and name HB3 )) 3.300 3.300 2.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.725 ppm2 1.999 CV 1 ASSI { 923} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HA )) 2.800 1.000 1.000 peak 923 spectrum 1 weight 0.10000E+01 volume 0.25753E-02 ppm1 8.726 ppm2 4.416 CV 1 ASSI { 924} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB2 )) 2.300 0.700 0.700 peak 924 spectrum 1 weight 0.10000E+01 volume 0.50237E-02 ppm1 8.726 ppm2 2.775 CV 1 ASSI { 925} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.500 1.500 1.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.26431E-02 ppm1 8.726 ppm2 2.568 CV 1 ASSI { 926} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HB )) 2.700 0.900 0.900 peak 926 spectrum 1 weight 0.10000E+01 volume 0.27532E-02 ppm1 8.726 ppm2 1.668 CV 1 ASSI { 927} (( segid " " and resid 97 and name HN )) ( segid " " and resid 98 and name HB% ) 3.700 1.700 1.700 peak 927 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 8.726 ppm2 1.434 CV 1 ASSI { 928} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HA )) 4.000 2.000 2.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.44729E-03 ppm1 8.726 ppm2 3.578 CV 1 ASSI { 929} (( segid " " and resid 97 and name HN )) (( segid " " and resid 96 and name HA )) 3.500 1.500 1.500 peak 929 spectrum 1 weight 0.10000E+01 volume 0.75564E-03 ppm1 8.726 ppm2 3.382 CV 1 ASSI { 930} (( segid " " and resid 97 and name HN )) (( segid " " and resid 94 and name HA )) 2.900 1.100 1.100 peak 930 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 8.728 ppm2 3.912 CV 1 ASSI { 931} (( segid " " and resid 97 and name HN )) ( segid " " and resid 96 and name HG2%) 3.100 1.200 1.200 peak 931 spectrum 1 weight 0.10000E+01 volume 0.17451E-02 ppm1 8.728 ppm2 0.733 CV 1 ASSI { 933} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HA )) 3.400 3.400 2.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.17705E-02 ppm1 8.741 ppm2 4.754 CV 1 ASSI { 934} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HB2 )) 5.100 3.200 0.900 peak 934 spectrum 1 weight 0.10000E+01 volume 0.27362E-03 ppm1 8.744 ppm2 1.740 CV 1 ASSI { 935} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 935 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 8.750 ppm2 5.449 CV 1 ASSI { 936} (( segid " " and resid 82 and name HN )) (( segid " " and resid 81 and name HA )) 2.200 0.600 0.600 peak 936 spectrum 1 weight 0.10000E+01 volume 0.94033E-02 ppm1 8.751 ppm2 4.492 CV 1 ASSI { 937} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HD1%) 3.200 1.300 1.300 peak 937 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.751 ppm2 1.296 CV 1 ASSI { 938} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HD2%) 2.900 1.100 1.100 peak 938 spectrum 1 weight 0.10000E+01 volume 0.45576E-02 ppm1 8.751 ppm2 0.865 CV 1 ASSI { 939} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HG2 )) 3.900 1.900 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.83952E-03 ppm1 8.752 ppm2 2.242 CV 1 ASSI { 940} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB2 )) 2.600 0.900 0.900 peak 940 spectrum 1 weight 0.10000E+01 volume 0.27278E-02 ppm1 8.752 ppm2 2.027 CV 1 ASSI { 942} (( segid " " and resid 82 and name HN )) ( segid " " and resid 80 and name HG1%) 3.600 1.600 1.600 peak 942 spectrum 1 weight 0.10000E+01 volume 0.21094E-03 ppm1 8.753 ppm2 -0.171 CV 1 ASSI { 943} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB3 )) 3.100 1.200 1.200 peak 943 spectrum 1 weight 0.10000E+01 volume 0.26261E-02 ppm1 8.754 ppm2 1.922 CV 1 ASSI { 945} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HN )) 4.300 2.300 1.700 peak 945 spectrum 1 weight 0.10000E+01 volume 0.34224E-03 ppm1 8.755 ppm2 7.211 CV 1 ASSI { 946} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.800 1.800 1.800 peak 946 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 8.758 ppm2 1.746 CV 1 ASSI { 947} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB3 )) 3.600 1.600 1.600 peak 947 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 8.758 ppm2 1.651 CV 1 ASSI { 948} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 4.400 2.400 1.600 peak 948 spectrum 1 weight 0.10000E+01 volume 0.39477E-03 ppm1 8.758 ppm2 9.224 CV 1 ASSI { 949} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HD2 )) 3.800 1.800 1.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 8.759 ppm2 1.462 CV 1 OR { 949} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HD3 )) ASSI { 950} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG2 )) 3.900 1.900 1.900 peak 950 spectrum 1 weight 0.10000E+01 volume 0.88947E-03 ppm1 8.760 ppm2 1.140 CV 1 OR { 950} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HG3 )) ASSI { 951} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB3 )) 3.300 1.400 1.400 peak 951 spectrum 1 weight 0.10000E+01 volume 0.13131E-02 ppm1 8.760 ppm2 1.905 CV 1 ASSI { 953} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 2.100 0.600 0.600 peak 953 spectrum 1 weight 0.10000E+01 volume 0.99962E-02 ppm1 8.761 ppm2 4.598 CV 1 ASSI { 954} (( segid " " and resid 5 and name HN )) (( segid " " and resid 37 and name HN )) 4.500 2.500 1.500 peak 954 spectrum 1 weight 0.10000E+01 volume 0.30836E-03 ppm1 8.761 ppm2 7.199 CV 1 ASSI { 955} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD1%) 3.400 1.400 1.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.22873E-02 ppm1 8.762 ppm2 0.695 CV 1 ASSI { 956} (( segid " " and resid 35 and name HN )) (( segid " " and resid 4 and name HA )) 3.500 1.600 1.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.65568E-03 ppm1 8.762 ppm2 4.764 CV 1 ASSI { 957} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 2.700 0.900 0.900 peak 957 spectrum 1 weight 0.10000E+01 volume 0.33547E-02 ppm1 8.762 ppm2 1.964 CV 1 ASSI { 958} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 2.500 0.800 0.800 peak 958 spectrum 1 weight 0.10000E+01 volume 0.50659E-02 ppm1 8.762 ppm2 0.822 CV 1 OR { 958} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 959} (( segid " " and resid 5 and name HN )) (( segid " " and resid 36 and name HG12)) 4.000 2.000 2.000 peak 959 spectrum 1 weight 0.10000E+01 volume 0.97421E-03 ppm1 8.762 ppm2 1.227 CV 1 ASSI { 960} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 960 spectrum 1 weight 0.10000E+01 volume 0.16350E-02 ppm1 8.762 ppm2 4.525 CV 1 ASSI { 961} (( segid " " and resid 5 and name HN )) (( segid " " and resid 59 and name HN )) 4.900 3.000 1.100 peak 961 spectrum 1 weight 0.10000E+01 volume 0.13724E-03 ppm1 8.762 ppm2 9.337 CV 1 ASSI { 962} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB )) 2.500 0.800 0.800 peak 962 spectrum 1 weight 0.10000E+01 volume 0.46932E-02 ppm1 8.763 ppm2 1.588 CV 1 ASSI { 963} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG13)) 2.900 1.100 1.100 peak 963 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 8.763 ppm2 1.417 CV 1 ASSI { 964} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 964 spectrum 1 weight 0.10000E+01 volume 0.16011E-02 ppm1 8.763 ppm2 4.618 CV 1 ASSI { 966} (( segid " " and resid 5 and name HN )) (( segid " " and resid 36 and name HA )) 3.000 1.100 1.100 peak 966 spectrum 1 weight 0.10000E+01 volume 0.14655E-02 ppm1 8.764 ppm2 5.656 CV 1 ASSI { 967} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG12)) 2.900 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.52014E-02 ppm1 8.764 ppm2 0.880 CV 1 OR { 967} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HG2%) ASSI { 968} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 3.100 1.200 1.200 peak 968 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 8.764 ppm2 4.904 CV 1 ASSI { 969} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 4.700 2.700 1.300 peak 969 spectrum 1 weight 0.10000E+01 volume 0.25668E-03 ppm1 8.764 ppm2 8.394 CV 1 ASSI { 970} (( segid " " and resid 38 and name HN )) (( segid " " and resid 48 and name HD21)) 4.000 2.000 2.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.34055E-03 ppm1 8.764 ppm2 7.656 CV 1 ASSI { 972} (( segid " " and resid 38 and name HN )) (( segid " " and resid 26 and name HE3 )) 3.300 1.400 1.400 peak 972 spectrum 1 weight 0.10000E+01 volume 0.34733E-03 ppm1 8.765 ppm2 2.971 CV 1 OR { 972} (( segid " " and resid 38 and name HN )) (( segid " " and resid 26 and name HE2 )) ASSI { 973} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HG )) 3.300 1.400 1.400 peak 973 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.766 ppm2 1.508 CV 1 ASSI { 974} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HD21)) 3.100 3.100 2.900 peak 974 spectrum 1 weight 0.10000E+01 volume 0.50403E-03 ppm1 8.766 ppm2 5.715 CV 1 ASSI { 975} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HA )) 2.400 0.700 0.700 peak 975 spectrum 1 weight 0.10000E+01 volume 0.51336E-02 ppm1 8.767 ppm2 5.203 CV 1 ASSI { 976} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 2.600 0.900 0.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.45406E-02 ppm1 8.767 ppm2 2.826 CV 1 ASSI { 977} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD1%) 3.600 1.600 1.600 peak 977 spectrum 1 weight 0.10000E+01 volume 0.90644E-03 ppm1 8.767 ppm2 0.865 CV 1 OR { 977} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 978} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.900 1.000 1.000 peak 978 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 8.768 ppm2 1.707 CV 1 ASSI { 979} (( segid " " and resid 5 and name HN )) (( segid " " and resid 6 and name HN )) 4.600 2.700 1.400 peak 979 spectrum 1 weight 0.10000E+01 volume 0.19061E-03 ppm1 8.769 ppm2 8.116 CV 1 ASSI { 982} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.900 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 8.770 ppm2 2.111 CV 1 ASSI { 983} (( segid " " and resid 35 and name HN )) (( segid " " and resid 2 and name HA )) 4.200 2.200 1.800 peak 983 spectrum 1 weight 0.10000E+01 volume 0.57777E-03 ppm1 8.772 ppm2 4.327 CV 1 ASSI { 984} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HB )) 3.600 1.700 1.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.70734E-03 ppm1 8.787 ppm2 1.508 CV 1 ASSI { 985} (( segid " " and resid 81 and name HN )) (( segid " " and resid 62 and name HA )) 3.000 1.200 1.200 peak 985 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.788 ppm2 4.818 CV 1 ASSI { 986} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG1%) 3.000 1.200 1.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.22788E-02 ppm1 8.788 ppm2 -0.163 CV 1 ASSI { 988} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB3 )) 2.900 1.000 1.000 peak 988 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 8.789 ppm2 1.131 CV 1 ASSI { 989} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 3.200 1.300 1.300 peak 989 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 8.790 ppm2 5.759 CV 1 ASSI { 990} (( segid " " and resid 81 and name HN )) (( segid " " and resid 80 and name HA )) 2.400 0.700 0.700 peak 990 spectrum 1 weight 0.10000E+01 volume 0.56502E-02 ppm1 8.790 ppm2 4.683 CV 1 ASSI { 991} (( segid " " and resid 7 and name HN )) (( segid " " and resid 39 and name HN )) 3.800 1.800 1.800 peak 991 spectrum 1 weight 0.10000E+01 volume 0.64549E-03 ppm1 8.790 ppm2 9.213 CV 1 ASSI { 992} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.300 0.700 0.700 peak 992 spectrum 1 weight 0.10000E+01 volume 0.63194E-02 ppm1 8.791 ppm2 5.438 CV 1 ASSI { 993} (( segid " " and resid 7 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 0.900 0.900 peak 993 spectrum 1 weight 0.10000E+01 volume 0.25075E-02 ppm1 8.791 ppm2 4.910 CV 1 ASSI { 994} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) 2.700 0.900 0.900 peak 994 spectrum 1 weight 0.10000E+01 volume 0.34309E-02 ppm1 8.791 ppm2 2.184 CV 1 ASSI { 995} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HB% ) 2.600 0.900 0.900 peak 995 spectrum 1 weight 0.10000E+01 volume 0.36003E-02 ppm1 8.791 ppm2 1.282 CV 1 ASSI { 997} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) 3.600 1.600 1.600 peak 997 spectrum 1 weight 0.10000E+01 volume 0.14825E-02 ppm1 8.791 ppm2 0.950 CV 1 ASSI { 998} (( segid " " and resid 7 and name HN )) ( segid " " and resid 25 and name HD1%) 4.600 2.600 1.400 peak 998 spectrum 1 weight 0.10000E+01 volume 0.21348E-03 ppm1 8.791 ppm2 0.584 CV 1 ASSI { 999} (( segid " " and resid 81 and name HN )) (( segid " " and resid 61 and name HN )) 3.700 1.700 1.700 peak 999 spectrum 1 weight 0.10000E+01 volume 0.72346E-03 ppm1 8.791 ppm2 8.294 CV 1 ASSI { 1001} (( segid " " and resid 81 and name HN )) ( segid " " and resid 60 and name HG1%) 4.000 2.000 2.000 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.43967E-03 ppm1 8.792 ppm2 0.975 CV 1 ASSI { 1003} (( segid " " and resid 81 and name HN )) ( segid " " and resid 80 and name HG2%) 3.700 1.700 1.700 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.80478E-03 ppm1 8.792 ppm2 0.345 CV 1 ASSI { 1004} (( segid " " and resid 81 and name HN )) ( segid " " and resid 61 and name HG1%) 3.300 1.300 1.300 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.37782E-03 ppm1 8.792 ppm2 0.189 CV 1 ASSI { 1005} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.900 1.100 1.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 8.793 ppm2 4.486 CV 1 ASSI { 1006} (( segid " " and resid 7 and name HN )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.69128E-03 ppm1 8.793 ppm2 7.202 CV 1 ASSI { 1007} (( segid " " and resid 81 and name HN )) ( segid " " and resid 62 and name HG2%) 3.700 1.700 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.69971E-03 ppm1 8.794 ppm2 0.684 CV 1 ASSI { 1008} (( segid " " and resid 7 and name HN )) (( segid " " and resid 37 and name HA )) 3.900 1.900 1.900 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.55744E-03 ppm1 8.794 ppm2 4.593 CV 1 ASSI { 1009} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 4.600 2.700 1.400 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.20585E-03 ppm1 8.794 ppm2 8.102 CV 1 ASSI { 1012} (( segid " " and resid 7 and name HN )) ( segid " " and resid 61 and name HG1%) 4.200 2.200 1.800 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.34563E-03 ppm1 8.796 ppm2 0.201 CV 1 ASSI { 1013} (( segid " " and resid 81 and name HN )) (( segid " " and resid 63 and name HN )) 3.500 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.66753E-03 ppm1 8.796 ppm2 9.319 CV 1 ASSI { 1014} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HD1%) 3.300 1.400 1.400 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.21517E-02 ppm1 8.798 ppm2 1.303 CV 1 ASSI { 1015} (( segid " " and resid 7 and name HN )) (( segid " " and resid 37 and name HB2 )) 4.000 2.000 2.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.42357E-03 ppm1 8.800 ppm2 1.729 CV 1 ASSI { 1016} (( segid " " and resid 64 and name HN )) ( segid " " and resid 7 and name HB% ) 3.900 1.900 1.900 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.40493E-03 ppm1 8.839 ppm2 1.270 CV 1 ASSI { 1017} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.100 0.600 0.600 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.10505E-01 ppm1 8.841 ppm2 5.483 CV 1 ASSI { 1018} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HB% ) 2.500 0.800 0.800 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.45322E-02 ppm1 8.841 ppm2 1.045 CV 1 ASSI { 1020} (( segid " " and resid 64 and name HN )) (( segid " " and resid 8 and name HB )) 3.400 1.500 1.500 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.841 ppm2 1.591 CV 1 ASSI { 1022} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.900 3.000 1.100 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.31344E-03 ppm1 8.842 ppm2 3.133 CV 1 ASSI { 1023} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB3 )) 4.000 2.000 2.000 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.49981E-03 ppm1 8.842 ppm2 2.982 CV 1 ASSI { 1024} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HN )) 3.800 1.800 1.800 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.66668E-03 ppm1 8.843 ppm2 9.340 CV 1 ASSI { 1025} (( segid " " and resid 64 and name HN )) ( segid " " and resid 63 and name HD% ) 4.300 2.300 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.42865E-03 ppm1 8.843 ppm2 6.915 CV 1 ASSI { 1026} (( segid " " and resid 64 and name HN )) (( segid " " and resid 10 and name HN )) 4.400 2.400 1.600 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.54895E-03 ppm1 8.844 ppm2 7.710 CV 1 ASSI { 1027} (( segid " " and resid 64 and name HN )) (( segid " " and resid 9 and name HB )) 4.400 2.400 1.600 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.32615E-03 ppm1 8.844 ppm2 4.166 CV 1 ASSI { 1029} (( segid " " and resid 9 and name HN )) (( segid " " and resid 39 and name HB3 )) 4.800 2.900 1.200 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.12368E-03 ppm1 8.852 ppm2 2.092 CV 1 ASSI { 1030} (( segid " " and resid 92 and name HN )) ( segid " " and resid 95 and name HG1%) 3.500 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.94033E-03 ppm1 8.853 ppm2 0.859 CV 1 OR { 1030} (( segid " " and resid 92 and name HN )) ( segid " " and resid 95 and name HG2%) ASSI { 1031} (( segid " " and resid 9 and name HN )) ( segid " " and resid 9 and name HG2%) 2.700 0.900 0.900 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.30158E-02 ppm1 8.854 ppm2 1.000 CV 1 ASSI { 1032} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB )) 4.600 2.600 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.27616E-03 ppm1 8.854 ppm2 1.591 CV 1 ASSI { 1033} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB )) 3.700 1.700 1.700 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.68701E-03 ppm1 8.854 ppm2 4.176 CV 1 ASSI { 1035} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB3 )) 4.200 2.200 1.800 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.52099E-03 ppm1 8.854 ppm2 2.554 CV 1 ASSI { 1036} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HA )) 2.900 1.100 1.100 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.17197E-02 ppm1 8.855 ppm2 5.497 CV 1 ASSI { 1037} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 2.100 0.600 0.600 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 8.855 ppm2 5.178 CV 1 ASSI { 1040} (( segid " " and resid 9 and name HN )) ( segid " " and resid 22 and name HB% ) 4.900 3.000 1.100 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.14486E-03 ppm1 8.856 ppm2 1.440 CV 1 ASSI { 1041} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HG2 )) 4.900 3.000 1.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.20755E-03 ppm1 8.856 ppm2 2.245 CV 1 OR { 1041} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HG3 )) ASSI { 1042} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HA )) 3.500 1.600 1.600 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.81412E-03 ppm1 8.856 ppm2 3.994 CV 1 ASSI { 1044} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HA )) 2.300 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.73701E-02 ppm1 8.857 ppm2 4.531 CV 1 ASSI { 1045} (( segid " " and resid 92 and name HN )) ( segid " " and resid 92 and name HB% ) 2.400 0.700 0.700 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.56758E-02 ppm1 8.857 ppm2 1.427 CV 1 ASSI { 1046} (( segid " " and resid 9 and name HN )) (( segid " " and resid 39 and name HG2 )) 4.500 2.500 1.500 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.20501E-03 ppm1 8.857 ppm2 2.369 CV 1 ASSI { 1047} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.49047E-03 ppm1 8.857 ppm2 7.695 CV 1 ASSI { 1048} (( segid " " and resid 92 and name HN )) (( segid " " and resid 93 and name HB3 )) 5.000 3.100 1.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.24059E-03 ppm1 8.857 ppm2 2.048 CV 1 ASSI { 1050} (( segid " " and resid 92 and name HN )) (( segid " " and resid 92 and name HA )) 3.100 1.200 1.200 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 8.858 ppm2 3.828 CV 1 ASSI { 1052} (( segid " " and resid 9 and name HN )) ( segid " " and resid 10 and name HB% ) 3.600 1.600 1.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.68957E-03 ppm1 8.859 ppm2 1.240 CV 1 ASSI { 1053} (( segid " " and resid 9 and name HN )) (( segid " " and resid 39 and name HN )) 3.900 1.900 1.900 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.51507E-03 ppm1 8.859 ppm2 9.210 CV 1 ASSI { 1054} (( segid " " and resid 92 and name HN )) (( segid " " and resid 91 and name HB2 )) 3.700 1.700 1.700 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.84203E-03 ppm1 8.860 ppm2 2.889 CV 1 ASSI { 1055} (( segid " " and resid 92 and name HN )) ( segid " " and resid 96 and name HD1%) 4.500 2.500 1.500 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.25668E-03 ppm1 8.860 ppm2 0.708 CV 1 OR { 1055} (( segid " " and resid 92 and name HN )) ( segid " " and resid 96 and name HG2%) ASSI { 1056} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HA )) 4.200 2.300 1.800 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.26600E-03 ppm1 8.863 ppm2 4.788 CV 1 ASSI { 1057} (( segid " " and resid 9 and name HN )) ( segid " " and resid 38 and name HG1%) 3.100 1.200 1.200 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.19992E-02 ppm1 8.864 ppm2 0.836 CV 1 OR { 1057} (( segid " " and resid 9 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 1058} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HD2 )) 4.100 2.100 1.900 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.31937E-03 ppm1 8.872 ppm2 3.242 CV 1 ASSI { 1059} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG2 )) 2.000 0.500 0.500 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 8.873 ppm2 1.457 CV 1 ASSI { 1060} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HE )) 4.200 2.200 1.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.41849E-03 ppm1 8.873 ppm2 8.168 CV 1 ASSI { 1063} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.53540E-02 ppm1 8.875 ppm2 4.647 CV 1 ASSI { 1064} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB2 )) 2.300 2.300 3.700 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.52521E-02 ppm1 8.875 ppm2 1.932 CV 1 ASSI { 1065} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HD3 )) 4.000 2.000 2.000 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.52355E-03 ppm1 8.875 ppm2 2.875 CV 1 ASSI { 1066} (( segid " " and resid 4 and name HN )) (( segid " " and resid 59 and name HG2 )) 3.400 1.500 1.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.73616E-03 ppm1 8.876 ppm2 2.654 CV 1 ASSI { 1067} (( segid " " and resid 4 and name HN )) ( segid " " and resid 100 and name HD2%) 5.500 3.800 0.500 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.85559E-04 ppm1 8.876 ppm2 0.640 CV 1 OR { 1067} (( segid " " and resid 4 and name HN )) ( segid " " and resid 100 and name HD1%) ASSI { 1069} (( segid " " and resid 4 and name HN )) (( segid " " and resid 59 and name HG3 )) 3.200 3.200 2.800 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.879 ppm2 2.348 CV 1 ASSI { 1071} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 4.100 2.100 1.900 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.55147E-03 ppm1 8.891 ppm2 7.685 CV 1 ASSI { 1072} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB2 )) 2.700 0.900 0.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 8.892 ppm2 1.787 CV 1 ASSI { 1073} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB3 )) 2.400 0.700 0.700 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.41086E-02 ppm1 8.894 ppm2 1.689 CV 1 ASSI { 1074} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HG2%) 2.600 0.800 0.800 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.56336E-02 ppm1 8.894 ppm2 1.011 CV 1 ASSI { 1075} (( segid " " and resid 79 and name HN )) ( segid " " and resid 79 and name HG1%) 2.900 1.000 1.000 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 8.894 ppm2 0.837 CV 1 ASSI { 1077} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 2.600 0.800 0.800 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.59810E-02 ppm1 8.895 ppm2 4.534 CV 1 ASSI { 1078} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB )) 2.400 0.700 0.700 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.50744E-02 ppm1 8.895 ppm2 1.937 CV 1 ASSI { 1079} (( segid " " and resid 79 and name HN )) ( segid " " and resid 80 and name HG2%) 4.200 2.200 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.26092E-03 ppm1 8.895 ppm2 0.349 CV 1 ASSI { 1080} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.900 1.000 1.000 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.18383E-02 ppm1 8.896 ppm2 3.851 CV 1 ASSI { 1081} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 4.100 2.100 1.900 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.53199E-03 ppm1 8.896 ppm2 7.865 CV 1 ASSI { 1082} (( segid " " and resid 79 and name HN )) ( segid " " and resid 61 and name HG2%) 3.400 1.400 1.400 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.73786E-03 ppm1 8.896 ppm2 0.691 CV 1 ASSI { 1083} (( segid " " and resid 79 and name HN )) (( segid " " and resid 61 and name HN )) 3.400 1.500 1.500 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 8.898 ppm2 8.297 CV 1 ASSI { 1084} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HE3 )) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 8.899 ppm2 2.742 CV 1 ASSI { 1085} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HA )) 2.200 0.600 0.600 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.10420E-01 ppm1 8.902 ppm2 4.417 CV 1 ASSI { 1086} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.900 1.100 1.100 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.17959E-02 ppm1 8.904 ppm2 7.888 CV 1 ASSI { 1087} (( segid " " and resid 48 and name HN )) (( segid " " and resid 46 and name HA )) 3.600 3.600 2.400 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 8.904 ppm2 4.744 CV 1 ASSI { 1088} (( segid " " and resid 52 and name HN )) ( segid " " and resid 51 and name HG2%) 3.900 1.900 1.900 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 8.905 ppm2 1.317 CV 1 ASSI { 1089} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.800 1.000 1.000 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.24482E-02 ppm1 8.906 ppm2 3.859 CV 1 ASSI { 1090} (( segid " " and resid 52 and name HN )) (( segid " " and resid 54 and name HN )) 3.300 1.400 1.400 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.15842E-02 ppm1 8.906 ppm2 7.444 CV 1 ASSI { 1092} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 4.100 2.100 1.900 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.63872E-03 ppm1 8.910 ppm2 9.374 CV 1 ASSI { 1093} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 2.800 1.000 1.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.27447E-02 ppm1 8.918 ppm2 4.377 CV 1 ASSI { 1095} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA1 )) 3.300 1.300 1.300 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 8.920 ppm2 4.103 CV 1 ASSI { 1096} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB2 )) 3.500 1.500 1.500 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 8.921 ppm2 2.625 CV 1 OR { 1096} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HB3 )) ASSI { 1098} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA2 )) 3.400 1.400 1.400 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.99113E-03 ppm1 8.922 ppm2 3.823 CV 1 ASSI { 1099} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 3.900 1.900 1.900 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.35749E-03 ppm1 8.924 ppm2 7.688 CV 1 ASSI { 1100} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG3 )) 3.600 1.700 1.700 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 8.929 ppm2 2.139 CV 1 OR { 1100} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) ASSI { 1104} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.300 0.700 0.700 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.94881E-02 ppm1 8.933 ppm2 4.226 CV 1 ASSI { 1105} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB2 )) 3.400 1.400 1.400 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.77175E-03 ppm1 8.933 ppm2 3.400 CV 1 ASSI { 1106} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB3 )) 3.400 1.400 1.400 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 8.934 ppm2 2.845 CV 1 ASSI { 1107} (( segid " " and resid 8 and name HN )) ( segid " " and resid 63 and name HD% ) 3.600 1.600 1.600 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.76327E-03 ppm1 8.939 ppm2 6.913 CV 1 ASSI { 1108} (( segid " " and resid 8 and name HN )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.38714E-02 ppm1 8.940 ppm2 5.478 CV 1 ASSI { 1110} (( segid " " and resid 8 and name HN )) ( segid " " and resid 75 and name HE% ) 4.200 4.200 1.800 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.59047E-03 ppm1 8.941 ppm2 7.047 CV 1 ASSI { 1111} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HB% ) 2.600 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 8.942 ppm2 1.286 CV 1 ASSI { 1112} (( segid " " and resid 8 and name HN )) (( segid " " and resid 63 and name HZ )) 3.900 1.900 1.900 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.51592E-03 ppm1 8.942 ppm2 6.788 CV 1 ASSI { 1113} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 2.300 0.600 0.600 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.77260E-02 ppm1 8.943 ppm2 5.763 CV 1 ASSI { 1114} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 3.000 1.100 1.100 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.15757E-02 ppm1 8.943 ppm2 5.182 CV 1 ASSI { 1115} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HB )) 2.600 0.800 0.800 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.34479E-02 ppm1 8.943 ppm2 1.592 CV 1 ASSI { 1117} (( segid " " and resid 8 and name HN )) (( segid " " and resid 62 and name HN )) 3.900 1.900 1.900 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 8.943 ppm2 8.569 CV 1 ASSI { 1118} (( segid " " and resid 8 and name HN )) ( segid " " and resid 61 and name HG1%) 3.600 1.600 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 8.944 ppm2 0.194 CV 1 ASSI { 1119} (( segid " " and resid 8 and name HN )) (( segid " " and resid 63 and name HB3 )) 4.300 2.300 1.700 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.48455E-03 ppm1 8.948 ppm2 2.990 CV 1 ASSI { 1120} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG3 )) 3.700 1.700 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.58706E-03 ppm1 9.000 ppm2 2.122 CV 1 ASSI { 1121} (( segid " " and resid 47 and name HN )) (( segid " " and resid 40 and name HB )) 3.800 1.800 1.800 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.43882E-03 ppm1 9.000 ppm2 3.871 CV 1 ASSI { 1123} (( segid " " and resid 47 and name HN )) (( segid " " and resid 49 and name HN )) 4.600 2.600 1.400 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.18383E-03 ppm1 9.000 ppm2 7.677 CV 1 ASSI { 1124} (( segid " " and resid 47 and name HN )) ( segid " " and resid 46 and name HG2%) 2.600 0.800 0.800 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.39646E-02 ppm1 9.002 ppm2 0.880 CV 1 ASSI { 1125} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB3 )) 2.800 1.000 1.000 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.25244E-02 ppm1 9.003 ppm2 1.995 CV 1 OR { 1125} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB2 )) ASSI { 1126} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB )) 3.600 1.600 1.600 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 9.003 ppm2 1.698 CV 1 ASSI { 1127} (( segid " " and resid 47 and name HN )) (( segid " " and resid 39 and name HG2 )) 3.400 1.400 1.400 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.94881E-03 ppm1 9.003 ppm2 2.350 CV 1 ASSI { 1129} (( segid " " and resid 47 and name HN )) (( segid " " and resid 41 and name HA )) 3.400 1.400 1.400 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.18383E-02 ppm1 9.004 ppm2 4.987 CV 1 ASSI { 1130} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.19823E-02 ppm1 9.172 ppm2 4.159 CV 1 ASSI { 1131} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.14232E-02 ppm1 9.172 ppm2 1.695 CV 1 OR { 1131} (( segid " " and resid 71 and name HN )) (( segid " " and resid 70 and name HG2 )) ASSI { 1133} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HA )) 2.300 0.700 0.700 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.67260E-02 ppm1 9.175 ppm2 4.665 CV 1 ASSI { 1134} (( segid " " and resid 71 and name HN )) (( segid " " and resid 71 and name HB3 )) 4.100 2.100 1.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.69805E-03 ppm1 9.176 ppm2 2.717 CV 1 ASSI { 1135} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HG2 )) 4.500 2.600 1.500 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.34987E-03 ppm1 9.206 ppm2 2.347 CV 1 ASSI { 1137} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 2.400 0.700 0.700 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.46338E-02 ppm1 9.214 ppm2 4.905 CV 1 ASSI { 1138} (( segid " " and resid 39 and name HN )) (( segid " " and resid 8 and name HA )) 3.500 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.49218E-03 ppm1 9.215 ppm2 5.173 CV 1 ASSI { 1139} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.400 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.82090E-03 ppm1 9.215 ppm2 2.627 CV 1 ASSI { 1140} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HB3 )) 2.500 0.800 0.800 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.34055E-02 ppm1 9.215 ppm2 2.094 CV 1 ASSI { 1141} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG1%) 3.000 1.100 1.100 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.28464E-02 ppm1 9.215 ppm2 0.826 CV 1 OR { 1141} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 1143} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 4.400 2.400 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.44898E-03 ppm1 9.223 ppm2 4.625 CV 1 ASSI { 1144} (( segid " " and resid 39 and name HN )) ( segid " " and resid 50 and name HD1%) 2.500 0.800 0.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.62772E-02 ppm1 9.224 ppm2 1.105 CV 1 ASSI { 1146} (( segid " " and resid 63 and name HN )) ( segid " " and resid 61 and name HG1%) 3.700 1.700 1.700 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.59298E-03 ppm1 9.324 ppm2 0.187 CV 1 ASSI { 1148} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HA )) 2.300 0.700 0.700 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.59047E-02 ppm1 9.326 ppm2 4.816 CV 1 ASSI { 1149} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.800 1.800 1.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 9.326 ppm2 2.982 CV 1 ASSI { 1152} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.700 0.900 0.900 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.21856E-02 ppm1 9.327 ppm2 3.140 CV 1 ASSI { 1155} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HB% ) 3.600 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.79971E-03 ppm1 9.328 ppm2 1.081 CV 1 ASSI { 1156} (( segid " " and resid 63 and name HN )) ( segid " " and resid 80 and name HG1%) 3.700 1.700 1.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.71668E-03 ppm1 9.328 ppm2 -0.162 CV 1 ASSI { 1157} (( segid " " and resid 63 and name HN )) ( segid " " and resid 62 and name HG2%) 2.600 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.44221E-02 ppm1 9.329 ppm2 0.680 CV 1 ASSI { 1158} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB )) 3.200 1.300 1.300 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.23381E-02 ppm1 9.329 ppm2 1.545 CV 1 ASSI { 1159} (( segid " " and resid 63 and name HN )) ( segid " " and resid 63 and name HD% ) 3.900 1.900 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.52606E-03 ppm1 9.331 ppm2 6.912 CV 1 ASSI { 1162} (( segid " " and resid 59 and name HN )) ( segid " " and resid 60 and name HG2%) 2.900 1.100 1.100 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.46169E-02 ppm1 9.340 ppm2 0.641 CV 1 ASSI { 1163} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG2 )) 2.400 0.700 0.700 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.51843E-02 ppm1 9.346 ppm2 2.653 CV 1 ASSI { 1164} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB2 )) 2.800 1.000 1.000 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.15672E-02 ppm1 9.346 ppm2 2.207 CV 1 ASSI { 1165} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA1 )) 2.400 0.700 0.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.40069E-02 ppm1 9.348 ppm2 3.629 CV 1 ASSI { 1166} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HG3 )) 3.700 1.700 1.700 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.11521E-02 ppm1 9.348 ppm2 2.344 CV 1 ASSI { 1168} (( segid " " and resid 59 and name HN )) (( segid " " and resid 5 and name HG13)) 4.200 2.200 1.800 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.29311E-03 ppm1 9.348 ppm2 1.425 CV 1 ASSI { 1170} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.15418E-02 ppm1 9.349 ppm2 4.237 CV 1 ASSI { 1171} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HA2 )) 3.000 1.100 1.100 peak 1171 spectrum 1 weight 0.10000E+01 volume 0.22957E-02 ppm1 9.349 ppm2 3.167 CV 1 ASSI { 1173} (( segid " " and resid 59 and name HN )) (( segid " " and resid 5 and name HA )) 3.300 1.400 1.400 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.74038E-03 ppm1 9.350 ppm2 4.521 CV 1 ASSI { 1174} (( segid " " and resid 59 and name HN )) (( segid " " and resid 4 and name HN )) 3.700 1.700 1.700 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.62943E-03 ppm1 9.351 ppm2 8.875 CV 1 ASSI { 1176} (( segid " " and resid 59 and name HN )) (( segid " " and resid 3 and name HG3 )) 2.400 2.400 3.600 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.60824E-02 ppm1 9.356 ppm2 1.672 CV 1 OR { 1176} (( segid " " and resid 59 and name HN )) (( segid " " and resid 3 and name HG2 )) ASSI { 1177} (( segid " " and resid 59 and name HN )) ( segid " " and resid 6 and name HD1%) 2.800 0.900 0.900 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.51166E-02 ppm1 9.357 ppm2 1.093 CV 1 ASSI { 1178} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 70 and name HB3 )) 4.800 2.800 1.200 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.19484E-03 ppm1 9.375 ppm2 1.459 CV 1 ASSI { 1180} (( segid " " and resid 41 and name HE22)) ( segid " " and resid 46 and name HD1%) 3.900 1.900 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.46084E-03 ppm1 9.378 ppm2 0.786 CV 1 ASSI { 1181} (( segid " " and resid 41 and name HE22)) ( segid " " and resid 69 and name HG2%) 3.900 1.900 1.900 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.36935E-03 ppm1 9.378 ppm2 0.381 CV 1 ASSI { 1183} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 41 and name HG3 )) 3.800 1.800 1.800 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.94033E-03 ppm1 9.379 ppm2 2.353 CV 1 ASSI { 1184} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HB2 )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.36851E-02 ppm1 9.381 ppm2 3.026 CV 1 ASSI { 1187} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) 2.400 0.700 0.700 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.58962E-02 ppm1 9.383 ppm2 4.673 CV 1 ASSI { 1188} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HA )) 3.100 1.200 1.200 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.13978E-02 ppm1 9.383 ppm2 4.414 CV 1 ASSI { 1189} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HB3 )) 3.900 1.900 1.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.11606E-02 ppm1 9.383 ppm2 2.499 CV 1 ASSI { 1190} (( segid " " and resid 51 and name HN )) ( segid " " and resid 51 and name HG2%) 2.500 0.800 0.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.45660E-02 ppm1 9.383 ppm2 1.306 CV 1 ASSI { 1191} (( segid " " and resid 51 and name HN )) ( segid " " and resid 50 and name HD2%) 3.800 1.800 1.800 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.11013E-02 ppm1 9.383 ppm2 0.946 CV 1 ASSI { 1192} (( segid " " and resid 51 and name HN )) (( segid " " and resid 54 and name HA )) 4.400 2.400 1.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.44983E-03 ppm1 9.383 ppm2 4.195 CV 1 ASSI { 1195} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HB2 )) 5.400 3.600 0.600 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.13554E-03 ppm1 9.384 ppm2 1.854 CV 1 ASSI { 1196} (( segid " " and resid 51 and name HN )) ( segid " " and resid 55 and name HG1%) 5.000 3.100 1.000 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.16943E-03 ppm1 9.385 ppm2 0.730 CV 1 ASSI { 1198} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HG )) 5.200 3.400 0.800 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.18468E-03 ppm1 9.388 ppm2 2.233 CV 1 ASSI { 1199} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) 2.200 0.600 0.600 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.90644E-02 ppm1 9.395 ppm2 5.451 CV 1 ASSI { 1201} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.900 1.900 1.900 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 9.395 ppm2 2.040 CV 1 ASSI { 1202} (( segid " " and resid 83 and name HN )) (( segid " " and resid 84 and name HD2 )) 4.500 2.600 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.41849E-03 ppm1 9.395 ppm2 3.847 CV 1 ASSI { 1203} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 3.000 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 9.396 ppm2 4.950 CV 1 ASSI { 1204} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HG2%) 2.600 0.800 0.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.39646E-02 ppm1 9.396 ppm2 0.768 CV 1 ASSI { 1205} (( segid " " and resid 83 and name HN )) ( segid " " and resid 64 and name HB% ) 4.300 2.300 1.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.42611E-03 ppm1 9.397 ppm2 1.047 CV 1 ASSI { 1207} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 4.400 2.400 1.600 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.44898E-03 ppm1 9.399 ppm2 8.771 CV 1 ASSI { 1208} (( segid " " and resid 83 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.800 1.800 1.800 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.56929E-03 ppm1 9.399 ppm2 2.977 CV 1 ASSI { 1209} (( segid " " and resid 83 and name HN )) ( segid " " and resid 81 and name HD1%) 3.100 1.200 1.200 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.19399E-02 ppm1 9.399 ppm2 1.317 CV 1 ASSI { 1210} (( segid " " and resid 83 and name HN )) (( segid " " and resid 63 and name HB2 )) 4.000 2.000 2.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.64635E-03 ppm1 9.400 ppm2 3.138 CV 1 ASSI { 1211} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 3.800 1.800 1.800 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.88104E-03 ppm1 9.557 ppm2 7.697 CV 1 ASSI { 1212} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HG )) 3.100 1.200 1.200 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 9.558 ppm2 2.238 CV 1 ASSI { 1214} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.86407E-03 ppm1 9.559 ppm2 4.674 CV 1 ASSI { 1215} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 2.400 0.700 0.700 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.51677E-02 ppm1 9.560 ppm2 3.884 CV 1 ASSI { 1216} (( segid " " and resid 50 and name HN )) (( segid " " and resid 39 and name HB2 )) 3.300 1.400 1.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 9.560 ppm2 2.629 CV 1 ASSI { 1217} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB2 )) 2.800 1.000 1.000 peak 1217 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 9.561 ppm2 1.867 CV 1 ASSI { 1218} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HD1%) 3.800 1.800 1.800 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.10420E-02 ppm1 9.561 ppm2 1.113 CV 1 ASSI { 1220} (( segid " " and resid 50 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.800 1.800 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.11944E-02 ppm1 9.562 ppm2 1.257 CV 1 ASSI { 1221} (( segid " " and resid 50 and name HN )) (( segid " " and resid 39 and name HA )) 4.300 2.300 1.700 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.41256E-03 ppm1 9.562 ppm2 5.011 CV 1 ASSI { 1223} (( segid " " and resid 70 and name HN )) ( segid " " and resid 46 and name HD1%) 3.000 1.100 1.100 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.16943E-02 ppm1 9.575 ppm2 0.763 CV 1 ASSI { 1224} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG2%) 3.000 1.100 1.100 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.22703E-02 ppm1 9.576 ppm2 0.379 CV 1 ASSI { 1225} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD2 )) 3.900 1.900 1.900 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.60147E-03 ppm1 9.576 ppm2 3.064 CV 1 OR { 1225} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HD3 )) ASSI { 1226} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HA )) 2.200 0.600 0.600 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.69971E-02 ppm1 9.577 ppm2 3.313 CV 1 ASSI { 1227} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB2 )) 3.200 1.300 1.300 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.98270E-03 ppm1 9.577 ppm2 1.701 CV 1 OR { 1227} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HG2 )) ASSI { 1228} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HB3 )) 3.200 1.300 1.300 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 9.577 ppm2 1.475 CV 1 ASSI { 1229} (( segid " " and resid 70 and name HN )) ( segid " " and resid 69 and name HG1%) 4.000 2.000 2.000 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.53284E-03 ppm1 9.577 ppm2 -0.001 CV 1 ASSI { 1230} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.45660E-03 ppm1 9.577 ppm2 8.333 CV 1 ASSI { 1231} (( segid " " and resid 70 and name HN )) (( segid " " and resid 41 and name HE21)) 3.800 1.800 1.800 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.18976E-02 ppm1 9.578 ppm2 6.695 CV 1 ASSI { 1232} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 9.578 ppm2 4.156 CV 1 ASSI { 1233} (( segid " " and resid 70 and name HN )) ( segid " " and resid 8 and name HG2%) 4.600 2.600 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.19484E-03 ppm1 9.579 ppm2 0.643 CV 1 ASSI { 1234} (( segid " " and resid 70 and name HN )) (( segid " " and resid 41 and name HG3 )) 2.800 2.800 3.200 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.92336E-03 ppm1 9.579 ppm2 2.323 CV 1 ASSI { 1235} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 3.700 1.700 1.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.34733E-03 ppm1 9.581 ppm2 9.180 CV 1 ASSI { 1237} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD2 )) 3.000 3.000 3.000 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.60232E-03 ppm1 9.958 ppm2 1.373 CV 1 OR { 1237} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD3 )) ASSI { 1238} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 3.500 3.500 2.500 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.26770E-03 ppm1 9.958 ppm2 9.555 CV 1 ASSI { 1240} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.900 1.100 1.100 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.20840E-02 ppm1 9.960 ppm2 4.159 CV 1 ASSI { 1241} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG3 )) 3.100 1.200 1.200 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.13808E-02 ppm1 9.960 ppm2 2.370 CV 1 OR { 1241} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) ASSI { 1242} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.30582E-02 ppm1 9.961 ppm2 2.013 CV 1 OR { 1242} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB3 )) ASSI { 1243} (( segid " " and resid 73 and name HN )) (( segid " " and resid 75 and name HN )) 4.700 2.700 1.300 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.14909E-03 ppm1 9.965 ppm2 7.654 CV 1 ASSI { 1244} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 2.400 2.400 3.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.49303E-02 ppm1 9.968 ppm2 4.011 CV 1 ASSI { 1245} (( segid " " and resid 12 and name HN )) ( segid " " and resid 12 and name HB% ) 3.600 1.600 1.600 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.69379E-03 ppm1 10.630 ppm2 1.461 CV 1 ASSI { 1246} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 4.900 3.000 1.100 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.10166E-03 ppm1 10.631 ppm2 4.225 CV 1 ASSI { 1247} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.300 1.400 1.400 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.92336E-03 ppm1 10.632 ppm2 5.160 CV 1 ASSI { 1248} (( segid " " and resid 12 and name HN )) ( segid " " and resid 67 and name HG2%) 5.900 4.300 0.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.39223E-04 ppm1 10.637 ppm2 0.881 CV 1 ASSI { 3} ( segid " " and resid 80 and name HG2%) ( segid " " and resid 80 and name HG1%) 4.400 4.400 1.600 peak 3 spectrum 1 weight 0.10000E+01 volume 0.17441E-03 ppm1 -0.130 ppm2 0.368 CV 1 ASSI { 4} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 80 and name HG1%) 4.000 2.000 2.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.25309E-03 ppm1 -0.130 ppm2 6.944 CV 1 ASSI { 7} (( segid " " and resid 72 and name HG3 )) ( segid " " and resid 69 and name HG1%) 3.700 1.700 1.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.71919E-03 ppm1 0.019 ppm2 1.762 CV 1 OR { 7} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 69 and name HG1%) ASSI { 9} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG1%) 2.400 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.52374E-02 ppm1 0.023 ppm2 1.395 CV 1 ASSI { 10} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 69 and name HG1%) 3.500 1.600 1.600 peak 10 spectrum 1 weight 0.10000E+01 volume 0.74924E-03 ppm1 0.023 ppm2 6.942 CV 1 ASSI { 12} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HG1%) 2.600 0.800 0.800 peak 12 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 0.024 ppm2 3.331 CV 1 ASSI { 14} ( segid " " and resid 69 and name HG2%) ( segid " " and resid 69 and name HG1%) 2.300 2.300 3.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.90962E-02 ppm1 0.024 ppm2 0.404 CV 1 ASSI { 15} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 61 and name HG1%) 2.900 1.000 1.000 peak 15 spectrum 1 weight 0.10000E+01 volume 0.17341E-02 ppm1 0.210 ppm2 6.941 CV 1 ASSI { 16} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 61 and name HG1%) 2.300 2.300 3.700 peak 16 spectrum 1 weight 0.10000E+01 volume 0.74924E-02 ppm1 0.212 ppm2 0.706 CV 1 ASSI { 17} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 61 and name HG1%) 2.800 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.19797E-02 ppm1 0.213 ppm2 6.495 CV 1 ASSI { 18} (( segid " " and resid 6 and name HG12)) ( segid " " and resid 61 and name HG1%) 2.600 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 0.213 ppm2 1.578 CV 1 OR { 18} (( segid " " and resid 6 and name HG13)) ( segid " " and resid 61 and name HG1%) ASSI { 21} ( segid " " and resid 80 and name HG1%) ( segid " " and resid 61 and name HG1%) 2.800 2.800 3.200 peak 21 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 0.213 ppm2 -0.125 CV 1 ASSI { 22} (( segid " " and resid 7 and name HA )) ( segid " " and resid 61 and name HG1%) 3.300 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.77180E-03 ppm1 0.215 ppm2 5.796 CV 1 ASSI { 23} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 61 and name HG1%) 3.500 1.500 1.500 peak 23 spectrum 1 weight 0.10000E+01 volume 0.52872E-03 ppm1 0.215 ppm2 7.334 CV 1 ASSI { 24} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 80 and name HG2%) 3.500 1.600 1.600 peak 24 spectrum 1 weight 0.10000E+01 volume 0.58388E-03 ppm1 0.359 ppm2 6.489 CV 1 ASSI { 27} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 80 and name HG2%) 3.900 1.900 1.900 peak 27 spectrum 1 weight 0.10000E+01 volume 0.40344E-03 ppm1 0.367 ppm2 3.250 CV 1 ASSI { 29} (( segid " " and resid 61 and name HB )) ( segid " " and resid 80 and name HG2%) 2.500 0.800 0.800 peak 29 spectrum 1 weight 0.10000E+01 volume 0.54379E-02 ppm1 0.368 ppm2 1.764 CV 1 ASSI { 30} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 69 and name HG2%) 2.900 1.000 1.000 peak 30 spectrum 1 weight 0.10000E+01 volume 0.17617E-02 ppm1 0.401 ppm2 6.487 CV 1 ASSI { 31} (( segid " " and resid 72 and name HG3 )) ( segid " " and resid 69 and name HG2%) 2.900 1.000 1.000 peak 31 spectrum 1 weight 0.10000E+01 volume 0.85952E-03 ppm1 0.402 ppm2 1.776 CV 1 OR { 31} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 69 and name HG2%) ASSI { 32} (( segid " " and resid 69 and name HB )) ( segid " " and resid 69 and name HG2%) 2.400 0.700 0.700 peak 32 spectrum 1 weight 0.10000E+01 volume 0.53877E-02 ppm1 0.404 ppm2 1.395 CV 1 ASSI { 36} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 69 and name HG2%) 3.000 1.100 1.100 peak 36 spectrum 1 weight 0.10000E+01 volume 0.66407E-03 ppm1 0.404 ppm2 7.104 CV 1 ASSI { 38} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD1%) 3.700 1.700 1.700 peak 38 spectrum 1 weight 0.10000E+01 volume 0.16438E-02 ppm1 0.549 ppm2 5.682 CV 1 ASSI { 39} (( segid " " and resid 5 and name HB )) ( segid " " and resid 36 and name HD1%) 2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.46609E-02 ppm1 0.550 ppm2 1.609 CV 1 ASSI { 40} (( segid " " and resid 36 and name HG12)) ( segid " " and resid 36 and name HD1%) 1.900 1.900 4.100 peak 40 spectrum 1 weight 0.10000E+01 volume 0.21901E-01 ppm1 0.552 ppm2 1.248 CV 1 ASSI { 41} (( segid " " and resid 25 and name HB2 )) ( segid " " and resid 36 and name HD1%) 3.200 1.300 1.300 peak 41 spectrum 1 weight 0.10000E+01 volume 0.16739E-02 ppm1 0.553 ppm2 2.104 CV 1 ASSI { 43} (( segid " " and resid 96 and name HG12)) (( segid " " and resid 96 and name HG13)) 1.800 0.400 0.400 peak 43 spectrum 1 weight 0.10000E+01 volume 0.13407E-01 ppm1 0.583 ppm2 1.761 CV 1 ASSI { 44} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HG13)) 2.100 0.600 0.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.11702E-01 ppm1 0.583 ppm2 0.748 CV 1 OR { 44} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HG13)) ASSI { 45} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HG13)) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19696E-02 ppm1 0.587 ppm2 3.403 CV 1 ASSI { 46} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HB3 )) 3.900 1.900 1.900 peak 46 spectrum 1 weight 0.10000E+01 volume 0.34581E-03 ppm1 0.600 ppm2 1.503 CV 1 ASSI { 48} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HB3 )) 1.900 1.900 4.100 peak 48 spectrum 1 weight 0.10000E+01 volume 0.10099E-01 ppm1 0.609 ppm2 0.929 CV 1 ASSI { 51} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD1%) 3.300 1.400 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.79687E-03 ppm1 0.613 ppm2 1.727 CV 1 ASSI { 53} ( segid " " and resid 7 and name HB% ) ( segid " " and resid 25 and name HD1%) 2.600 2.600 3.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.39342E-02 ppm1 0.613 ppm2 1.306 CV 1 ASSI { 57} ( segid " " and resid 99 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.800 2.800 3.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.23054E-02 ppm1 0.653 ppm2 1.407 CV 1 ASSI { 59} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 4.400 2.400 1.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22753E-03 ppm1 0.655 ppm2 4.424 CV 1 ASSI { 61} (( segid " " and resid 8 and name HA )) ( segid " " and resid 8 and name HG2%) 2.800 1.000 1.000 peak 61 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 0.665 ppm2 5.198 CV 1 ASSI { 62} (( segid " " and resid 9 and name HA )) ( segid " " and resid 65 and name HG1%) 2.600 0.800 0.800 peak 62 spectrum 1 weight 0.10000E+01 volume 0.40094E-02 ppm1 0.678 ppm2 5.518 CV 1 ASSI { 64} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 65 and name HG1%) 3.700 1.700 1.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 0.679 ppm2 3.169 CV 1 ASSI { 65} (( segid " " and resid 65 and name HB )) ( segid " " and resid 65 and name HG1%) 2.300 0.700 0.700 peak 65 spectrum 1 weight 0.10000E+01 volume 0.46359E-02 ppm1 0.679 ppm2 2.280 CV 1 ASSI { 67} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HG1%) 2.500 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.40344E-02 ppm1 0.680 ppm2 5.703 CV 1 ASSI { 68} (( segid " " and resid 96 and name HA )) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 0.681 ppm2 3.402 CV 1 ASSI { 69} (( segid " " and resid 5 and name HB )) ( segid " " and resid 5 and name HD1%) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.95474E-02 ppm1 0.683 ppm2 1.566 CV 1 ASSI { 70} (( segid " " and resid 5 and name HG13)) ( segid " " and resid 5 and name HD1%) 2.200 2.200 3.800 peak 70 spectrum 1 weight 0.10000E+01 volume 0.95222E-02 ppm1 0.689 ppm2 1.400 CV 1 ASSI { 71} (( segid " " and resid 63 and name HA )) ( segid " " and resid 62 and name HG2%) 3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.13256E-02 ppm1 0.693 ppm2 5.485 CV 1 ASSI { 74} (( segid " " and resid 25 and name HG )) ( segid " " and resid 25 and name HD2%) 2.500 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.40094E-02 ppm1 0.714 ppm2 1.749 CV 1 ASSI { 75} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 61 and name HG2%) 2.700 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.18218E-02 ppm1 0.714 ppm2 7.330 CV 1 ASSI { 77} (( segid " " and resid 61 and name HB )) ( segid " " and resid 61 and name HG2%) 2.500 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 0.714 ppm2 1.753 CV 1 ASSI { 78} (( segid " " and resid 60 and name HA )) ( segid " " and resid 61 and name HG2%) 3.500 1.500 1.500 peak 78 spectrum 1 weight 0.10000E+01 volume 0.73170E-03 ppm1 0.714 ppm2 4.418 CV 1 ASSI { 81} (( segid " " and resid 78 and name HE3 )) ( segid " " and resid 61 and name HG2%) 3.100 1.200 1.200 peak 81 spectrum 1 weight 0.10000E+01 volume 0.97729E-03 ppm1 0.716 ppm2 2.754 CV 1 ASSI { 82} (( segid " " and resid 74 and name HG3 )) ( segid " " and resid 55 and name HG1%) 2.600 2.600 3.400 peak 82 spectrum 1 weight 0.10000E+01 volume 0.22954E-02 ppm1 0.718 ppm2 1.447 CV 1 ASSI { 83} (( segid " " and resid 6 and name HG12)) ( segid " " and resid 61 and name HG2%) 3.200 1.300 1.300 peak 83 spectrum 1 weight 0.10000E+01 volume 0.91464E-03 ppm1 0.721 ppm2 1.595 CV 1 OR { 83} (( segid " " and resid 6 and name HG13)) ( segid " " and resid 61 and name HG2%) ASSI { 84} (( segid " " and resid 34 and name HB3 )) ( segid " " and resid 5 and name HD1%) 3.300 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.98232E-03 ppm1 0.721 ppm2 2.134 CV 1 ASSI { 86} (( segid " " and resid 34 and name HB2 )) ( segid " " and resid 5 and name HD1%) 2.900 1.100 1.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.18744E-02 ppm1 0.722 ppm2 2.844 CV 1 ASSI { 88} ( segid " " and resid 63 and name HD% ) ( segid " " and resid 8 and name HG1%) 3.100 1.200 1.200 peak 88 spectrum 1 weight 0.10000E+01 volume 0.19195E-02 ppm1 0.747 ppm2 6.948 CV 1 ASSI { 89} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 8 and name HG1%) 2.400 0.700 0.700 peak 89 spectrum 1 weight 0.10000E+01 volume 0.24934E-02 ppm1 0.747 ppm2 7.077 CV 1 ASSI { 90} ( segid " " and resid 63 and name HE% ) ( segid " " and resid 8 and name HG1%) 3.100 1.200 1.200 peak 90 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 0.747 ppm2 6.496 CV 1 ASSI { 93} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HD1%) 4.100 2.100 1.900 peak 93 spectrum 1 weight 0.10000E+01 volume 0.81189E-03 ppm1 0.754 ppm2 3.400 CV 1 ASSI { 97} (( segid " " and resid 28 and name HA2 )) ( segid " " and resid 96 and name HD1%) 3.000 1.100 1.100 peak 97 spectrum 1 weight 0.10000E+01 volume 0.11853E-02 ppm1 0.756 ppm2 3.266 CV 1 ASSI { 98} (( segid " " and resid 74 and name HD3 )) ( segid " " and resid 55 and name HG1%) 3.400 1.400 1.400 peak 98 spectrum 1 weight 0.10000E+01 volume 0.61393E-03 ppm1 0.756 ppm2 2.540 CV 1 ASSI { 100} (( segid " " and resid 55 and name HB )) ( segid " " and resid 55 and name HG1%) 2.500 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.32827E-02 ppm1 0.757 ppm2 2.042 CV 1 ASSI { 101} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 55 and name HG1%) 2.600 0.800 0.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.25309E-02 ppm1 0.757 ppm2 7.101 CV 1 ASSI { 102} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 96 and name HD1%) 2.700 2.700 3.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.33078E-02 ppm1 0.758 ppm2 1.234 CV 1 ASSI { 103} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HG2%) 3.400 1.400 1.400 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 0.758 ppm2 5.682 CV 1 ASSI { 105} (( segid " " and resid 96 and name HA )) ( segid " " and resid 96 and name HG2%) 2.900 1.000 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.20573E-02 ppm1 0.761 ppm2 3.397 CV 1 ASSI { 106} (( segid " " and resid 96 and name HG12)) ( segid " " and resid 96 and name HG2%) 2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.52625E-02 ppm1 0.762 ppm2 1.714 CV 1 ASSI { 107} (( segid " " and resid 63 and name HB2 )) ( segid " " and resid 65 and name HG2%) 5.200 3.400 0.800 peak 107 spectrum 1 weight 0.10000E+01 volume 0.19020E-03 ppm1 0.762 ppm2 3.156 CV 1 ASSI { 108} (( segid " " and resid 26 and name HB2 )) ( segid " " and resid 36 and name HG2%) 3.000 1.100 1.100 peak 108 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 0.763 ppm2 1.882 CV 1 ASSI { 111} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 65 and name HG2%) 2.700 2.700 3.300 peak 111 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 0.764 ppm2 0.021 CV 1 ASSI { 113} (( segid " " and resid 26 and name HA )) ( segid " " and resid 36 and name HG2%) 2.500 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.48114E-02 ppm1 0.765 ppm2 3.857 CV 1 ASSI { 115} (( segid " " and resid 65 and name HA )) ( segid " " and resid 65 and name HG2%) 3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.89962E-03 ppm1 0.765 ppm2 5.704 CV 1 ASSI { 116} (( segid " " and resid 70 and name HD2 )) ( segid " " and resid 46 and name HD1%) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.54379E-03 ppm1 0.808 ppm2 3.085 CV 1 ASSI { 119} (( segid " " and resid 57 and name HG13)) ( segid " " and resid 57 and name HD1%) 2.400 2.400 3.600 peak 119 spectrum 1 weight 0.10000E+01 volume 0.59891E-02 ppm1 0.826 ppm2 1.298 CV 1 ASSI { 120} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HG )) 2.200 0.600 0.600 peak 120 spectrum 1 weight 0.10000E+01 volume 0.82692E-02 ppm1 0.827 ppm2 1.811 CV 1 ASSI { 121} (( segid " " and resid 57 and name HB )) ( segid " " and resid 57 and name HD1%) 3.700 1.700 1.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.56881E-03 ppm1 0.827 ppm2 1.900 CV 1 ASSI { 122} (( segid " " and resid 100 and name HA )) ( segid " " and resid 103 and name HD1%) 3.400 1.500 1.500 peak 122 spectrum 1 weight 0.10000E+01 volume 0.84696E-03 ppm1 0.828 ppm2 3.909 CV 1 ASSI { 123} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HD1%) 2.400 0.700 0.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.62649E-02 ppm1 0.829 ppm2 2.084 CV 1 ASSI { 125} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HG )) 2.400 2.400 3.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.66658E-02 ppm1 0.839 ppm2 1.478 CV 1 ASSI { 126} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HD2%) 2.500 0.800 0.800 peak 126 spectrum 1 weight 0.10000E+01 volume 0.46609E-02 ppm1 0.841 ppm2 4.132 CV 1 ASSI { 127} (( segid " " and resid 99 and name HA )) (( segid " " and resid 102 and name HG )) 3.000 1.100 1.100 peak 127 spectrum 1 weight 0.10000E+01 volume 0.15962E-02 ppm1 0.842 ppm2 3.938 CV 1 ASSI { 128} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 102 and name HG )) 2.000 0.500 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.13707E-01 ppm1 0.846 ppm2 2.005 CV 1 OR { 128} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HG )) ASSI { 132} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HG1%) 3.300 1.400 1.400 peak 132 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 0.861 ppm2 3.342 CV 1 ASSI { 134} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 85 and name HG1%) 3.500 1.600 1.600 peak 134 spectrum 1 weight 0.10000E+01 volume 0.11653E-02 ppm1 0.863 ppm2 2.823 CV 1 ASSI { 135} (( segid " " and resid 89 and name HA )) ( segid " " and resid 89 and name HG2%) 2.500 0.800 0.800 peak 135 spectrum 1 weight 0.10000E+01 volume 0.49616E-02 ppm1 0.867 ppm2 3.330 CV 1 ASSI { 136} (( segid " " and resid 89 and name HB )) ( segid " " and resid 89 and name HG2%) 2.300 0.700 0.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.65905E-02 ppm1 0.868 ppm2 1.877 CV 1 ASSI { 137} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 85 and name HG2%) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 0.870 ppm2 3.216 CV 1 ASSI { 138} (( segid " " and resid 11 and name HB3 )) ( segid " " and resid 85 and name HG2%) 3.200 1.300 1.300 peak 138 spectrum 1 weight 0.10000E+01 volume 0.26312E-02 ppm1 0.870 ppm2 2.815 CV 1 ASSI { 139} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 85 and name HG2%) 2.800 2.800 3.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.22678E-02 ppm1 0.870 ppm2 1.540 CV 1 ASSI { 141} (( segid " " and resid 85 and name HB )) ( segid " " and resid 85 and name HG2%) 2.500 0.800 0.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 0.871 ppm2 1.799 CV 1 ASSI { 142} (( segid " " and resid 85 and name HA )) ( segid " " and resid 85 and name HG2%) 3.100 1.200 1.200 peak 142 spectrum 1 weight 0.10000E+01 volume 0.12229E-02 ppm1 0.872 ppm2 3.333 CV 1 ASSI { 143} ( segid " " and resid 75 and name HD% ) ( segid " " and resid 55 and name HG2%) 4.300 2.300 1.700 peak 143 spectrum 1 weight 0.10000E+01 volume 0.33328E-03 ppm1 0.880 ppm2 7.317 CV 1 ASSI { 144} (( segid " " and resid 75 and name HA )) ( segid " " and resid 55 and name HG2%) 3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.86203E-03 ppm1 0.881 ppm2 4.309 CV 1 ASSI { 146} (( segid " " and resid 71 and name HB3 )) ( segid " " and resid 55 and name HG2%) 3.700 1.700 1.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.92966E-03 ppm1 0.882 ppm2 2.759 CV 1 ASSI { 147} (( segid " " and resid 4 and name HE2 )) ( segid " " and resid 35 and name HD1%) 3.000 1.100 1.100 peak 147 spectrum 1 weight 0.10000E+01 volume 0.14108E-02 ppm1 0.885 ppm2 2.987 CV 1 OR { 147} (( segid " " and resid 4 and name HE3 )) ( segid " " and resid 35 and name HD1%) ASSI { 148} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 89 and name HD1%) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.11001E-02 ppm1 0.898 ppm2 2.980 CV 1 ASSI { 150} (( segid " " and resid 39 and name HG2 )) ( segid " " and resid 46 and name HG2%) 2.600 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 0.900 ppm2 2.372 CV 1 ASSI { 151} (( segid " " and resid 95 and name HA )) ( segid " " and resid 95 and name HG1%) 2.600 0.800 0.800 peak 151 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 0.900 ppm2 3.609 CV 1 ASSI { 152} (( segid " " and resid 89 and name HB )) ( segid " " and resid 89 and name HD1%) 2.500 0.800 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.46609E-02 ppm1 0.901 ppm2 1.873 CV 1 ASSI { 153} (( segid " " and resid 89 and name HG12)) ( segid " " and resid 89 and name HD1%) 2.300 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.54128E-02 ppm1 0.901 ppm2 1.724 CV 1 ASSI { 154} (( segid " " and resid 89 and name HG13)) ( segid " " and resid 89 and name HD1%) 2.300 2.300 3.700 peak 154 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 0.901 ppm2 0.550 CV 1 ASSI { 156} (( segid " " and resid 20 and name HB2 )) ( segid " " and resid 89 and name HD1%) 3.800 1.800 1.800 peak 156 spectrum 1 weight 0.10000E+01 volume 0.11677E-02 ppm1 0.902 ppm2 2.181 CV 1 ASSI { 157} (( segid " " and resid 20 and name HB3 )) ( segid " " and resid 89 and name HD1%) 3.000 1.100 1.100 peak 157 spectrum 1 weight 0.10000E+01 volume 0.12253E-02 ppm1 0.902 ppm2 2.091 CV 1 ASSI { 158} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 89 and name HD1%) 3.000 3.000 3.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.15536E-02 ppm1 0.902 ppm2 1.540 CV 1 ASSI { 159} (( segid " " and resid 89 and name HA )) ( segid " " and resid 89 and name HD1%) 4.200 2.200 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.64654E-03 ppm1 0.902 ppm2 3.333 CV 1 ASSI { 164} (( segid " " and resid 74 and name HD3 )) (( segid " " and resid 74 and name HB2 )) 3.300 1.300 1.300 peak 164 spectrum 1 weight 0.10000E+01 volume 0.15386E-02 ppm1 0.918 ppm2 2.558 CV 1 ASSI { 168} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HB2 )) 3.400 3.400 2.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.73673E-03 ppm1 0.937 ppm2 1.609 CV 1 ASSI { 173} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG1%) 3.200 1.300 1.300 peak 173 spectrum 1 weight 0.10000E+01 volume 0.11552E-02 ppm1 0.964 ppm2 4.129 CV 1 ASSI { 174} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 6 and name HG2%) 3.100 1.200 1.200 peak 174 spectrum 1 weight 0.10000E+01 volume 0.12354E-02 ppm1 0.966 ppm2 2.529 CV 1 ASSI { 176} (( segid " " and resid 54 and name HB3 )) ( segid " " and resid 50 and name HD2%) 3.300 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 0.969 ppm2 2.527 CV 1 ASSI { 177} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 50 and name HD2%) 2.500 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.11928E-01 ppm1 0.969 ppm2 1.778 CV 1 ASSI { 178} (( segid " " and resid 50 and name HG )) ( segid " " and resid 50 and name HD2%) 2.300 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.67658E-02 ppm1 0.970 ppm2 2.232 CV 1 ASSI { 179} (( segid " " and resid 37 and name HE3 )) ( segid " " and resid 50 and name HD2%) 3.800 1.800 1.800 peak 179 spectrum 1 weight 0.10000E+01 volume 0.59137E-03 ppm1 0.971 ppm2 2.783 CV 1 OR { 179} (( segid " " and resid 37 and name HE2 )) ( segid " " and resid 50 and name HD2%) ASSI { 180} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 50 and name HD2%) 3.300 1.400 1.400 peak 180 spectrum 1 weight 0.10000E+01 volume 0.94222E-03 ppm1 0.971 ppm2 3.054 CV 1 ASSI { 181} (( segid " " and resid 37 and name HD3 )) ( segid " " and resid 50 and name HD2%) 2.600 2.600 3.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.51369E-02 ppm1 0.977 ppm2 1.505 CV 1 OR { 181} (( segid " " and resid 37 and name HD2 )) ( segid " " and resid 50 and name HD2%) ASSI { 182} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HG1%) 2.200 0.600 0.600 peak 182 spectrum 1 weight 0.10000E+01 volume 0.10124E-01 ppm1 0.980 ppm2 2.078 CV 1 ASSI { 184} (( segid " " and resid 99 and name HA )) ( segid " " and resid 60 and name HG1%) 3.300 1.400 1.400 peak 184 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 0.989 ppm2 3.941 CV 1 ASSI { 187} (( segid " " and resid 22 and name HA )) ( segid " " and resid 9 and name HG2%) 2.300 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.70417E-02 ppm1 1.004 ppm2 3.887 CV 1 ASSI { 189} (( segid " " and resid 103 and name HB )) ( segid " " and resid 103 and name HG2%) 2.300 0.600 0.600 peak 189 spectrum 1 weight 0.10000E+01 volume 0.80938E-02 ppm1 1.011 ppm2 2.076 CV 1 ASSI { 194} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 9 and name HG2%) 2.400 2.400 3.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.69914E-02 ppm1 1.028 ppm2 1.528 CV 1 ASSI { 195} (( segid " " and resid 79 and name HB )) ( segid " " and resid 79 and name HG2%) 2.300 0.700 0.700 peak 195 spectrum 1 weight 0.10000E+01 volume 0.67658E-02 ppm1 1.034 ppm2 1.957 CV 1 ASSI { 196} (( segid " " and resid 85 and name HA )) ( segid " " and resid 64 and name HB% ) 2.400 0.700 0.700 peak 196 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 1.074 ppm2 3.330 CV 1 ASSI { 198} (( segid " " and resid 6 and name HB )) ( segid " " and resid 6 and name HD1%) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.25309E-02 ppm1 1.101 ppm2 2.206 CV 1 ASSI { 201} (( segid " " and resid 6 and name HG12)) ( segid " " and resid 6 and name HD1%) 2.300 2.300 3.700 peak 201 spectrum 1 weight 0.10000E+01 volume 0.49867E-02 ppm1 1.102 ppm2 1.582 CV 1 OR { 201} (( segid " " and resid 6 and name HG13)) ( segid " " and resid 6 and name HD1%) ASSI { 202} ( segid " " and resid 61 and name HG2%) ( segid " " and resid 6 and name HD1%) 2.100 2.100 3.900 peak 202 spectrum 1 weight 0.10000E+01 volume 0.83194E-02 ppm1 1.102 ppm2 0.731 CV 1 ASSI { 203} ( segid " " and resid 75 and name HE% ) ( segid " " and resid 6 and name HD1%) 3.800 1.800 1.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 1.103 ppm2 7.095 CV 1 ASSI { 204} ( segid " " and resid 61 and name HG1%) ( segid " " and resid 6 and name HD1%) 3.700 1.700 1.700 peak 204 spectrum 1 weight 0.10000E+01 volume 0.12204E-02 ppm1 1.105 ppm2 0.209 CV 1 ASSI { 206} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HB3 )) 2.300 2.300 3.700 peak 206 spectrum 1 weight 0.10000E+01 volume 0.63398E-02 ppm1 1.152 ppm2 0.724 CV 1 ASSI { 207} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB3 )) 1.900 0.500 0.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.11427E-01 ppm1 1.153 ppm2 2.106 CV 1 ASSI { 208} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB3 )) 3.500 3.500 2.500 peak 208 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 1.153 ppm2 0.582 CV 1 ASSI { 210} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 25 and name HB3 )) 5.700 5.700 0.300 peak 210 spectrum 1 weight 0.10000E+01 volume 0.31825E-04 ppm1 1.157 ppm2 0.831 CV 1 OR { 210} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 25 and name HB3 )) ASSI { 211} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HB3 )) 1.900 1.900 4.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 1.160 ppm2 1.760 CV 1 ASSI { 212} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HB3 )) 2.900 2.900 3.100 peak 212 spectrum 1 weight 0.10000E+01 volume 0.19245E-02 ppm1 1.163 ppm2 1.734 CV 1 ASSI { 215} (( segid " " and resid 37 and name HE3 )) (( segid " " and resid 37 and name HG3 )) 2.800 1.000 1.000 peak 215 spectrum 1 weight 0.10000E+01 volume 0.27314E-02 ppm1 1.175 ppm2 2.803 CV 1 OR { 215} (( segid " " and resid 37 and name HE2 )) (( segid " " and resid 37 and name HG3 )) OR { 215} (( segid " " and resid 37 and name HE2 )) (( segid " " and resid 37 and name HG2 )) OR { 215} (( segid " " and resid 37 and name HE3 )) (( segid " " and resid 37 and name HG2 )) ASSI { 220} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB )) 2.600 2.600 3.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.38590E-02 ppm1 1.192 ppm2 0.550 CV 1 ASSI { 221} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB )) 2.500 0.800 0.800 peak 221 spectrum 1 weight 0.10000E+01 volume 0.36335E-02 ppm1 1.193 ppm2 5.683 CV 1 ASSI { 222} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HG13)) 2.900 2.900 3.100 peak 222 spectrum 1 weight 0.10000E+01 volume 0.17290E-02 ppm1 1.193 ppm2 0.835 CV 1 ASSI { 223} (( segid " " and resid 5 and name HB )) (( segid " " and resid 36 and name HB )) 2.800 2.800 3.200 peak 223 spectrum 1 weight 0.10000E+01 volume 0.19897E-02 ppm1 1.193 ppm2 1.607 CV 1 ASSI { 224} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 36 and name HB )) 2.400 2.400 3.600 peak 224 spectrum 1 weight 0.10000E+01 volume 0.53123E-02 ppm1 1.195 ppm2 0.771 CV 1 OR { 224} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 36 and name HB )) ASSI { 226} (( segid " " and resid 29 and name HA )) ( segid " " and resid 29 and name HB% ) 2.300 0.600 0.600 peak 226 spectrum 1 weight 0.10000E+01 volume 0.81440E-02 ppm1 1.238 ppm2 3.840 CV 1 ASSI { 227} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 10 and name HB% ) 3.200 1.300 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.45858E-03 ppm1 1.242 ppm2 0.026 CV 1 ASSI { 228} (( segid " " and resid 41 and name HB3 )) ( segid " " and resid 10 and name HB% ) 2.800 2.800 3.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.17742E-02 ppm1 1.245 ppm2 1.843 CV 1 ASSI { 229} (( segid " " and resid 65 and name HA )) ( segid " " and resid 10 and name HB% ) 3.700 1.700 1.700 peak 229 spectrum 1 weight 0.10000E+01 volume 0.88706E-03 ppm1 1.245 ppm2 5.705 CV 1 ASSI { 234} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HB3 )) 3.300 3.300 2.700 peak 234 spectrum 1 weight 0.10000E+01 volume 0.69412E-03 ppm1 1.279 ppm2 0.969 CV 1 ASSI { 236} (( segid " " and resid 94 and name HA )) (( segid " " and resid 94 and name HG3 )) 3.500 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.65654E-03 ppm1 1.289 ppm2 3.946 CV 1 ASSI { 239} (( segid " " and resid 7 and name HA )) ( segid " " and resid 7 and name HB% ) 2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.50621E-02 ppm1 1.309 ppm2 5.793 CV 1 ASSI { 242} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 26 and name HG2 )) 2.000 2.000 4.000 peak 242 spectrum 1 weight 0.10000E+01 volume 0.73170E-02 ppm1 1.324 ppm2 0.832 CV 1 OR { 242} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 26 and name HG2 )) OR { 242} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 26 and name HG3 )) OR { 242} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 26 and name HG3 )) ASSI { 245} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG2 )) 2.400 2.400 3.600 peak 245 spectrum 1 weight 0.10000E+01 volume 0.64151E-02 ppm1 1.336 ppm2 1.882 CV 1 OR { 245} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG3 )) ASSI { 249} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB )) 2.600 0.800 0.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 1.394 ppm2 3.330 CV 1 ASSI { 252} (( segid " " and resid 96 and name HA )) ( segid " " and resid 99 and name HB% ) 2.900 1.100 1.100 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18819E-02 ppm1 1.404 ppm2 3.405 CV 1 ASSI { 253} (( segid " " and resid 28 and name HA2 )) ( segid " " and resid 92 and name HB% ) 2.700 0.900 0.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 1.448 ppm2 3.268 CV 1 ASSI { 257} (( segid " " and resid 100 and name HG )) (( segid " " and resid 100 and name HB3 )) 2.700 2.700 3.300 peak 257 spectrum 1 weight 0.10000E+01 volume 0.36586E-02 ppm1 1.455 ppm2 0.826 CV 1 ASSI { 258} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 100 and name HB3 )) 1.900 1.900 4.100 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12204E-01 ppm1 1.456 ppm2 1.855 CV 1 ASSI { 259} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB3 )) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.20849E-02 ppm1 1.459 ppm2 0.638 CV 1 OR { 259} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HB3 )) ASSI { 262} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HB% ) 2.400 0.700 0.700 peak 262 spectrum 1 weight 0.10000E+01 volume 0.53374E-02 ppm1 1.472 ppm2 3.913 CV 1 ASSI { 263} (( segid " " and resid 95 and name HA )) ( segid " " and resid 98 and name HB% ) 2.700 0.900 0.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.27314E-02 ppm1 1.477 ppm2 3.608 CV 1 ASSI { 264} (( segid " " and resid 84 and name HD2 )) ( segid " " and resid 87 and name HB% ) 3.000 1.100 1.100 peak 264 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 1.480 ppm2 3.862 CV 1 ASSI { 265} (( segid " " and resid 87 and name HA )) ( segid " " and resid 87 and name HB% ) 2.400 0.700 0.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.54630E-02 ppm1 1.481 ppm2 4.290 CV 1 ASSI { 266} (( segid " " and resid 84 and name HD3 )) ( segid " " and resid 87 and name HB% ) 3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.28567E-02 ppm1 1.481 ppm2 3.615 CV 1 ASSI { 267} (( segid " " and resid 88 and name HD2 )) ( segid " " and resid 87 and name HB% ) 3.100 1.200 1.200 peak 267 spectrum 1 weight 0.10000E+01 volume 0.42099E-02 ppm1 1.481 ppm2 3.463 CV 1 ASSI { 268} (( segid " " and resid 83 and name HB )) ( segid " " and resid 87 and name HB% ) 2.600 0.800 0.800 peak 268 spectrum 1 weight 0.10000E+01 volume 0.41096E-02 ppm1 1.482 ppm2 2.318 CV 1 ASSI { 273} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG3 )) 2.100 0.600 0.600 peak 273 spectrum 1 weight 0.10000E+01 volume 0.13031E-01 ppm1 1.491 ppm2 3.326 CV 1 ASSI { 274} ( segid " " and resid 46 and name HD1%) (( segid " " and resid 70 and name HB3 )) 3.400 3.400 2.600 peak 274 spectrum 1 weight 0.10000E+01 volume 0.75175E-03 ppm1 1.492 ppm2 0.807 CV 1 ASSI { 275} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HB3 )) 2.300 2.300 3.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.97729E-02 ppm1 1.492 ppm2 0.853 CV 1 OR { 275} (( segid " " and resid 102 and name HG )) (( segid " " and resid 102 and name HB3 )) ASSI { 276} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB3 )) 3.000 1.200 1.200 peak 276 spectrum 1 weight 0.10000E+01 volume 0.14308E-02 ppm1 1.493 ppm2 4.168 CV 1 ASSI { 277} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HB3 )) 1.800 1.800 4.200 peak 277 spectrum 1 weight 0.10000E+01 volume 0.16263E-01 ppm1 1.494 ppm2 2.039 CV 1 ASSI { 278} (( segid " " and resid 102 and name HA )) (( segid " " and resid 102 and name HB3 )) 2.700 0.900 0.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.27815E-02 ppm1 1.496 ppm2 4.127 CV 1 ASSI { 279} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HB3 )) 3.300 1.300 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 1.496 ppm2 3.080 CV 1 OR { 279} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HB3 )) ASSI { 280} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 80 and name HB )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.61142E-02 ppm1 1.518 ppm2 -0.130 CV 1 ASSI { 281} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HB )) 2.500 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.48616E-02 ppm1 1.519 ppm2 0.370 CV 1 ASSI { 283} (( segid " " and resid 21 and name HA )) ( segid " " and resid 21 and name HB% ) 2.300 0.600 0.600 peak 283 spectrum 1 weight 0.10000E+01 volume 0.76180E-02 ppm1 1.543 ppm2 3.887 CV 1 ASSI { 285} ( segid " " and resid 7 and name HB% ) (( segid " " and resid 62 and name HB )) 2.400 2.400 3.600 peak 285 spectrum 1 weight 0.10000E+01 volume 0.49114E-02 ppm1 1.560 ppm2 1.306 CV 1 ASSI { 286} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HB )) 2.400 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.45607E-02 ppm1 1.565 ppm2 0.679 CV 1 ASSI { 287} (( segid " " and resid 7 and name HA )) (( segid " " and resid 62 and name HB )) 3.000 1.200 1.200 peak 287 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 1.565 ppm2 5.802 CV 1 ASSI { 290} (( segid " " and resid 36 and name HA )) (( segid " " and resid 5 and name HB )) 2.700 0.900 0.900 peak 290 spectrum 1 weight 0.10000E+01 volume 0.26312E-02 ppm1 1.602 ppm2 5.679 CV 1 ASSI { 291} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HG2 )) 2.100 0.600 0.600 peak 291 spectrum 1 weight 0.10000E+01 volume 0.82194E-02 ppm1 1.605 ppm2 3.281 CV 1 ASSI { 293} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 5 and name HB )) 2.800 2.800 3.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.84199E-02 ppm1 1.606 ppm2 1.263 CV 1 ASSI { 294} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HB )) 2.100 2.100 3.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.12078E-01 ppm1 1.609 ppm2 0.870 CV 1 OR { 294} (( segid " " and resid 5 and name HG12)) (( segid " " and resid 5 and name HB )) ASSI { 295} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 8 and name HB )) 3.200 1.300 1.300 peak 295 spectrum 1 weight 0.10000E+01 volume 0.11803E-02 ppm1 1.617 ppm2 0.409 CV 1 ASSI { 297} (( segid " " and resid 78 and name HE3 )) (( segid " " and resid 74 and name HG2 )) 2.600 2.600 3.400 peak 297 spectrum 1 weight 0.10000E+01 volume 0.47361E-02 ppm1 1.622 ppm2 2.767 CV 1 ASSI { 299} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HB )) 2.000 0.500 0.500 peak 299 spectrum 1 weight 0.10000E+01 volume 0.14785E-01 ppm1 1.627 ppm2 0.704 CV 1 ASSI { 300} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 8 and name HB )) 2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.35333E-02 ppm1 1.628 ppm2 6.939 CV 1 ASSI { 302} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 8 and name HB )) 4.000 2.000 2.000 peak 302 spectrum 1 weight 0.10000E+01 volume 0.42349E-03 ppm1 1.642 ppm2 0.022 CV 1 ASSI { 303} (( segid " " and resid 100 and name HA )) (( segid " " and resid 103 and name HG12)) 2.700 0.900 0.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.19145E-02 ppm1 1.661 ppm2 3.914 CV 1 ASSI { 304} (( segid " " and resid 103 and name HG13)) (( segid " " and resid 103 and name HG12)) 1.700 1.700 4.300 peak 304 spectrum 1 weight 0.10000E+01 volume 0.19797E-01 ppm1 1.662 ppm2 1.190 CV 1 ASSI { 305} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HG12)) 2.200 0.600 0.600 peak 305 spectrum 1 weight 0.10000E+01 volume 0.80189E-02 ppm1 1.663 ppm2 0.837 CV 1 ASSI { 306} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HG12)) 2.400 2.400 3.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.52123E-02 ppm1 1.664 ppm2 1.010 CV 1 ASSI { 307} (( segid " " and resid 103 and name HB )) (( segid " " and resid 103 and name HG12)) 2.800 2.800 3.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.35834E-02 ppm1 1.665 ppm2 2.079 CV 1 ASSI { 308} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 3 and name HG2 )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.43101E-02 ppm1 1.674 ppm2 0.644 CV 1 OR { 308} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 3 and name HG3 )) OR { 308} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 3 and name HG2 )) OR { 308} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 3 and name HG3 )) ASSI { 310} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 37 and name HB3 )) 2.400 2.400 3.600 peak 310 spectrum 1 weight 0.10000E+01 volume 0.43101E-02 ppm1 1.683 ppm2 0.965 CV 1 ASSI { 311} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HB3 )) 3.200 3.200 2.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.98981E-03 ppm1 1.684 ppm2 1.171 CV 1 OR { 311} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HB3 )) ASSI { 313} (( segid " " and resid 96 and name HA )) (( segid " " and resid 96 and name HB )) 3.000 1.200 1.200 peak 313 spectrum 1 weight 0.10000E+01 volume 0.15336E-02 ppm1 1.690 ppm2 3.415 CV 1 ASSI { 315} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HB )) 2.200 0.600 0.600 peak 315 spectrum 1 weight 0.10000E+01 volume 0.81189E-02 ppm1 1.693 ppm2 0.759 CV 1 OR { 315} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HB )) ASSI { 316} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HB2 )) 2.900 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.22779E-02 ppm1 1.718 ppm2 3.076 CV 1 OR { 316} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HB2 )) ASSI { 317} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) 2.800 1.000 1.000 peak 317 spectrum 1 weight 0.10000E+01 volume 0.23280E-02 ppm1 1.722 ppm2 4.173 CV 1 ASSI { 318} (( segid " " and resid 70 and name HD3 )) (( segid " " and resid 70 and name HG2 )) 2.700 0.900 0.900 peak 318 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 1.725 ppm2 3.081 CV 1 OR { 318} (( segid " " and resid 70 and name HD2 )) (( segid " " and resid 70 and name HG2 )) ASSI { 319} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HB )) 2.100 0.600 0.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.11727E-01 ppm1 1.730 ppm2 0.900 CV 1 ASSI { 320} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG2 )) 2.900 1.000 1.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.24908E-02 ppm1 1.737 ppm2 4.168 CV 1 ASSI { 321} (( segid " " and resid 62 and name HA )) (( segid " " and resid 61 and name HB )) 3.600 1.600 1.600 peak 321 spectrum 1 weight 0.10000E+01 volume 0.57384E-03 ppm1 1.748 ppm2 4.820 CV 1 ASSI { 326} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 61 and name HB )) 2.400 0.700 0.700 peak 326 spectrum 1 weight 0.10000E+01 volume 0.44605E-02 ppm1 1.762 ppm2 0.216 CV 1 ASSI { 328} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 61 and name HB )) 3.200 1.200 1.200 peak 328 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 1.763 ppm2 -0.124 CV 1 ASSI { 330} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HG12)) 2.100 0.600 0.600 peak 330 spectrum 1 weight 0.10000E+01 volume 0.11201E-01 ppm1 1.763 ppm2 0.748 CV 1 OR { 330} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HG12)) ASSI { 333} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG3 )) 3.700 1.700 1.700 peak 333 spectrum 1 weight 0.10000E+01 volume 0.37087E-03 ppm1 1.775 ppm2 4.024 CV 1 OR { 333} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) ASSI { 334} (( segid " " and resid 72 and name HE3 )) (( segid " " and resid 72 and name HG3 )) 3.100 1.200 1.200 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13507E-02 ppm1 1.776 ppm2 3.017 CV 1 OR { 334} (( segid " " and resid 72 and name HE3 )) (( segid " " and resid 72 and name HG2 )) OR { 334} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HG2 )) OR { 334} (( segid " " and resid 72 and name HE2 )) (( segid " " and resid 72 and name HG3 )) ASSI { 336} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HB2 )) 2.900 2.900 3.100 peak 336 spectrum 1 weight 0.10000E+01 volume 0.16489E-02 ppm1 1.781 ppm2 1.176 CV 1 OR { 336} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HB2 )) ASSI { 338} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 85 and name HB )) 2.300 0.600 0.600 peak 338 spectrum 1 weight 0.10000E+01 volume 0.73924E-02 ppm1 1.800 ppm2 0.868 CV 1 OR { 338} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 85 and name HB )) ASSI { 340} (( segid " " and resid 65 and name HA )) (( segid " " and resid 85 and name HB )) 2.600 0.800 0.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.30070E-02 ppm1 1.803 ppm2 5.704 CV 1 ASSI { 342} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 342 spectrum 1 weight 0.10000E+01 volume 0.16163E-02 ppm1 1.859 ppm2 0.642 CV 1 OR { 342} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HB2 )) ASSI { 344} (( segid " " and resid 100 and name HA )) (( segid " " and resid 100 and name HB2 )) 3.100 1.200 1.200 peak 344 spectrum 1 weight 0.10000E+01 volume 0.16514E-02 ppm1 1.863 ppm2 3.916 CV 1 ASSI { 345} (( segid " " and resid 89 and name HG13)) (( segid " " and resid 89 and name HB )) 2.700 0.900 0.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.20749E-02 ppm1 1.868 ppm2 0.553 CV 1 ASSI { 347} (( segid " " and resid 89 and name HA )) (( segid " " and resid 89 and name HB )) 2.900 1.000 1.000 peak 347 spectrum 1 weight 0.10000E+01 volume 0.19922E-02 ppm1 1.873 ppm2 3.327 CV 1 ASSI { 349} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HB )) 2.100 0.600 0.600 peak 349 spectrum 1 weight 0.10000E+01 volume 0.11026E-01 ppm1 1.877 ppm2 0.879 CV 1 OR { 349} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 89 and name HB )) ASSI { 350} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HB2 )) 3.000 1.200 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 1.885 ppm2 0.978 CV 1 ASSI { 352} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 72 and name HB3 )) 3.800 1.900 1.900 peak 352 spectrum 1 weight 0.10000E+01 volume 0.45607E-03 ppm1 1.888 ppm2 0.409 CV 1 ASSI { 353} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HB2 )) 1.900 1.900 4.100 peak 353 spectrum 1 weight 0.10000E+01 volume 0.11252E-01 ppm1 1.893 ppm2 1.275 CV 1 ASSI { 354} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HB3 )) 1.900 1.900 4.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.10324E-01 ppm1 1.893 ppm2 2.528 CV 1 ASSI { 356} (( segid " " and resid 57 and name HA )) (( segid " " and resid 57 and name HB )) 2.700 0.900 0.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.29820E-02 ppm1 1.895 ppm2 3.969 CV 1 ASSI { 357} (( segid " " and resid 57 and name HG12)) (( segid " " and resid 57 and name HB )) 2.600 2.600 3.400 peak 357 spectrum 1 weight 0.10000E+01 volume 0.44104E-02 ppm1 1.895 ppm2 1.582 CV 1 ASSI { 359} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HB )) 2.300 0.600 0.600 peak 359 spectrum 1 weight 0.10000E+01 volume 0.74677E-02 ppm1 1.897 ppm2 0.901 CV 1 ASSI { 360} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 57 and name HB )) 2.700 2.700 3.300 peak 360 spectrum 1 weight 0.10000E+01 volume 0.21375E-02 ppm1 1.899 ppm2 1.308 CV 1 ASSI { 361} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 32 and name HB3 )) 2.800 1.000 1.000 peak 361 spectrum 1 weight 0.10000E+01 volume 0.88459E-03 ppm1 1.924 ppm2 0.771 CV 1 OR { 361} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 32 and name HB3 )) ASSI { 362} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB3 )) 3.100 1.200 1.200 peak 362 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 1.932 ppm2 4.255 CV 1 ASSI { 363} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB3 )) 2.600 0.800 0.800 peak 363 spectrum 1 weight 0.10000E+01 volume 0.35583E-02 ppm1 1.933 ppm2 5.486 CV 1 ASSI { 364} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HB3 )) 2.900 1.100 1.100 peak 364 spectrum 1 weight 0.10000E+01 volume 0.23956E-02 ppm1 1.940 ppm2 2.870 CV 1 ASSI { 366} (( segid " " and resid 49 and name HA )) (( segid " " and resid 39 and name HG3 )) 3.300 1.300 1.300 peak 366 spectrum 1 weight 0.10000E+01 volume 0.69412E-03 ppm1 1.953 ppm2 3.909 CV 1 ASSI { 367} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 39 and name HG3 )) 4.000 2.000 2.000 peak 367 spectrum 1 weight 0.10000E+01 volume 0.66407E-03 ppm1 1.956 ppm2 0.664 CV 1 ASSI { 368} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 39 and name HG3 )) 1.900 1.900 4.100 peak 368 spectrum 1 weight 0.10000E+01 volume 0.11301E-01 ppm1 1.957 ppm2 2.372 CV 1 ASSI { 370} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB )) 2.600 0.900 0.900 peak 370 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 1.958 ppm2 3.869 CV 1 ASSI { 371} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 79 and name HB )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 1.958 ppm2 0.855 CV 1 ASSI { 373} (( segid " " and resid 22 and name HA )) (( segid " " and resid 38 and name HB )) 3.100 1.200 1.200 peak 373 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 1.959 ppm2 3.865 CV 1 ASSI { 374} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HG3 )) 2.700 2.700 3.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.17842E-02 ppm1 1.962 ppm2 2.643 CV 1 ASSI { 375} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HB )) 2.300 0.700 0.700 peak 375 spectrum 1 weight 0.10000E+01 volume 0.72919E-02 ppm1 1.983 ppm2 0.844 CV 1 OR { 375} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) ASSI { 376} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 38 and name HB )) 3.000 3.000 3.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.19396E-02 ppm1 1.984 ppm2 1.461 CV 1 ASSI { 377} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB3 )) 2.400 0.700 0.700 peak 377 spectrum 1 weight 0.10000E+01 volume 0.51621E-02 ppm1 1.985 ppm2 3.882 CV 1 ASSI { 378} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB2 )) 2.900 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.19471E-02 ppm1 1.988 ppm2 4.141 CV 1 ASSI { 379} (( segid " " and resid 102 and name HB3 )) ( segid " " and resid 102 and name HD1%) 2.700 2.700 3.300 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28567E-02 ppm1 1.993 ppm2 1.485 CV 1 ASSI { 381} (( segid " " and resid 102 and name HG )) ( segid " " and resid 102 and name HD1%) 1.900 0.400 0.400 peak 381 spectrum 1 weight 0.10000E+01 volume 0.25059E-01 ppm1 2.001 ppm2 0.846 CV 1 OR { 381} ( segid " " and resid 102 and name HD2%) ( segid " " and resid 102 and name HD1%) ASSI { 382} (( segid " " and resid 88 and name HA )) (( segid " " and resid 88 and name HG2 )) 3.200 1.300 1.300 peak 382 spectrum 1 weight 0.10000E+01 volume 0.22127E-02 ppm1 2.002 ppm2 4.023 CV 1 ASSI { 383} (( segid " " and resid 102 and name HA )) ( segid " " and resid 102 and name HD1%) 6.000 4.700 0.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.28567E-04 ppm1 2.004 ppm2 4.116 CV 1 ASSI { 384} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 384 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 2.004 ppm2 0.400 CV 1 ASSI { 385} (( segid " " and resid 99 and name HA )) ( segid " " and resid 102 and name HD1%) 3.900 1.900 1.900 peak 385 spectrum 1 weight 0.10000E+01 volume 0.42349E-03 ppm1 2.008 ppm2 3.963 CV 1 ASSI { 388} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.900 1.100 1.100 peak 388 spectrum 1 weight 0.10000E+01 volume 0.17717E-02 ppm1 2.031 ppm2 5.490 CV 1 ASSI { 391} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HG3 )) 2.900 1.100 1.100 peak 391 spectrum 1 weight 0.10000E+01 volume 0.14910E-02 ppm1 2.040 ppm2 3.611 CV 1 OR { 391} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HG2 )) ASSI { 392} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HG2 )) 2.600 0.900 0.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.29820E-02 ppm1 2.040 ppm2 3.865 CV 1 OR { 392} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 84 and name HG3 )) ASSI { 393} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HB )) 2.400 0.700 0.700 peak 393 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 2.041 ppm2 0.877 CV 1 ASSI { 394} (( segid " " and resid 52 and name HA )) (( segid " " and resid 55 and name HB )) 2.500 0.800 0.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 2.043 ppm2 3.882 CV 1 ASSI { 396} (( segid " " and resid 102 and name HG )) (( segid " " and resid 102 and name HB2 )) 2.300 0.600 0.600 peak 396 spectrum 1 weight 0.10000E+01 volume 0.78436E-02 ppm1 2.047 ppm2 0.850 CV 1 OR { 396} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HB2 )) ASSI { 398} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 398 spectrum 1 weight 0.10000E+01 volume 0.12830E-01 ppm1 2.059 ppm2 0.949 CV 1 OR { 398} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HB )) ASSI { 399} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HB2 )) 2.100 0.600 0.600 peak 399 spectrum 1 weight 0.10000E+01 volume 0.13983E-01 ppm1 2.070 ppm2 4.315 CV 1 ASSI { 403} (( segid " " and resid 103 and name HG13)) (( segid " " and resid 103 and name HB )) 2.800 1.000 1.000 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19546E-02 ppm1 2.075 ppm2 1.180 CV 1 ASSI { 404} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HG3 )) 3.000 1.100 1.100 peak 404 spectrum 1 weight 0.10000E+01 volume 0.21776E-02 ppm1 2.078 ppm2 0.905 CV 1 OR { 404} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HG2 )) ASSI { 406} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HG2 )) 2.000 2.000 4.000 peak 406 spectrum 1 weight 0.10000E+01 volume 0.18243E-01 ppm1 2.089 ppm2 1.783 CV 1 OR { 406} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG3 )) OR { 406} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HG2 )) OR { 406} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HG3 )) ASSI { 412} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB3 )) 4.300 2.300 1.700 peak 412 spectrum 1 weight 0.10000E+01 volume 0.23831E-03 ppm1 2.105 ppm2 5.039 CV 1 ASSI { 413} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.400 0.700 0.700 peak 413 spectrum 1 weight 0.10000E+01 volume 0.48114E-02 ppm1 2.106 ppm2 0.656 CV 1 ASSI { 414} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB2 )) 2.600 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 2.106 ppm2 0.597 CV 1 ASSI { 415} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 415 spectrum 1 weight 0.10000E+01 volume 0.12981E-02 ppm1 2.107 ppm2 0.842 CV 1 OR { 415} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 25 and name HB2 )) ASSI { 416} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HB2 )) 2.700 2.700 3.300 peak 416 spectrum 1 weight 0.10000E+01 volume 0.28316E-02 ppm1 2.109 ppm2 1.743 CV 1 ASSI { 418} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HB2 )) 2.900 1.000 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 2.109 ppm2 0.721 CV 1 ASSI { 421} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HB3 )) 1.900 1.900 4.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12955E-01 ppm1 2.118 ppm2 2.652 CV 1 ASSI { 422} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 39 and name HB3 )) 2.500 0.800 0.800 peak 422 spectrum 1 weight 0.10000E+01 volume 0.37087E-02 ppm1 2.118 ppm2 0.735 CV 1 ASSI { 423} (( segid " " and resid 88 and name HA )) (( segid " " and resid 95 and name HB )) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 2.124 ppm2 4.010 CV 1 ASSI { 424} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 95 and name HB )) 2.100 0.600 0.600 peak 424 spectrum 1 weight 0.10000E+01 volume 0.10249E-01 ppm1 2.127 ppm2 0.871 CV 1 OR { 424} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 95 and name HB )) ASSI { 425} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 39 and name HB3 )) 3.300 1.300 1.300 peak 425 spectrum 1 weight 0.10000E+01 volume 0.18193E-02 ppm1 2.128 ppm2 1.138 CV 1 ASSI { 426} (( segid " " and resid 92 and name HA )) (( segid " " and resid 95 and name HB )) 2.600 0.900 0.900 peak 426 spectrum 1 weight 0.10000E+01 volume 0.33078E-02 ppm1 2.129 ppm2 3.842 CV 1 ASSI { 428} (( segid " " and resid 95 and name HA )) (( segid " " and resid 95 and name HB )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 2.133 ppm2 3.611 CV 1 ASSI { 429} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG3 )) 3.400 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.80938E-03 ppm1 2.197 ppm2 3.885 CV 1 ASSI { 430} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 6 and name HB )) 2.300 0.600 0.600 peak 430 spectrum 1 weight 0.10000E+01 volume 0.70914E-02 ppm1 2.204 ppm2 1.127 CV 1 ASSI { 432} (( segid " " and resid 6 and name HG13)) (( segid " " and resid 6 and name HB )) 2.400 2.400 3.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.36085E-02 ppm1 2.208 ppm2 1.576 CV 1 OR { 432} (( segid " " and resid 6 and name HG12)) (( segid " " and resid 6 and name HB )) ASSI { 433} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 433 spectrum 1 weight 0.10000E+01 volume 0.69412E-02 ppm1 2.211 ppm2 0.958 CV 1 ASSI { 434} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 3.200 1.300 1.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.17216E-02 ppm1 2.231 ppm2 4.253 CV 1 ASSI { 435} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HG3 )) 2.900 1.000 1.000 peak 435 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 2.263 ppm2 3.886 CV 1 OR { 435} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HG2 )) ASSI { 438} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 65 and name HB )) 5.300 3.500 0.700 peak 438 spectrum 1 weight 0.10000E+01 volume 0.94971E-04 ppm1 2.270 ppm2 0.905 CV 1 ASSI { 439} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HB )) 2.000 0.500 0.500 peak 439 spectrum 1 weight 0.10000E+01 volume 0.13306E-01 ppm1 2.278 ppm2 0.724 CV 1 ASSI { 440} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB )) 2.400 0.700 0.700 peak 440 spectrum 1 weight 0.10000E+01 volume 0.39342E-02 ppm1 2.280 ppm2 5.704 CV 1 ASSI { 441} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 65 and name HB )) 2.700 0.900 0.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.22353E-02 ppm1 2.281 ppm2 1.243 CV 1 ASSI { 442} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 65 and name HB )) 3.200 1.300 1.300 peak 442 spectrum 1 weight 0.10000E+01 volume 0.40344E-03 ppm1 2.285 ppm2 0.038 CV 1 ASSI { 443} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HG2 )) 3.800 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.42099E-03 ppm1 2.308 ppm2 3.880 CV 1 ASSI { 444} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 83 and name HB )) 2.300 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.71417E-02 ppm1 2.319 ppm2 0.912 CV 1 ASSI { 445} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 83 and name HB )) 2.300 0.700 0.700 peak 445 spectrum 1 weight 0.10000E+01 volume 0.68412E-02 ppm1 2.319 ppm2 0.802 CV 1 ASSI { 446} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 83 and name HB )) 3.000 1.100 1.100 peak 446 spectrum 1 weight 0.10000E+01 volume 0.36335E-02 ppm1 2.319 ppm2 3.613 CV 1 ASSI { 447} (( segid " " and resid 105 and name HA )) (( segid " " and resid 105 and name HG2 )) 4.200 2.200 1.800 peak 447 spectrum 1 weight 0.10000E+01 volume 0.24934E-03 ppm1 2.320 ppm2 4.303 CV 1 ASSI { 449} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 83 and name HB )) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.22503E-02 ppm1 2.322 ppm2 3.880 CV 1 ASSI { 451} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HG3 )) 3.500 3.500 2.500 peak 451 spectrum 1 weight 0.10000E+01 volume 0.61393E-03 ppm1 2.353 ppm2 1.977 CV 1 ASSI { 452} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HG3 )) 3.400 1.400 1.400 peak 452 spectrum 1 weight 0.10000E+01 volume 0.17892E-02 ppm1 2.360 ppm2 4.250 CV 1 ASSI { 453} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HG3 )) 2.000 2.000 4.000 peak 453 spectrum 1 weight 0.10000E+01 volume 0.84696E-02 ppm1 2.362 ppm2 2.680 CV 1 ASSI { 456} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 39 and name HG2 )) 3.500 3.500 2.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.38590E-03 ppm1 2.373 ppm2 2.108 CV 1 ASSI { 459} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 39 and name HG2 )) 3.600 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.95474E-03 ppm1 2.383 ppm2 0.670 CV 1 ASSI { 460} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HG2 )) 3.000 3.000 3.000 peak 460 spectrum 1 weight 0.10000E+01 volume 0.27063E-02 ppm1 2.388 ppm2 2.652 CV 1 ASSI { 462} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 32 and name HG3 )) 1.800 1.800 4.200 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15085E-01 ppm1 2.496 ppm2 2.871 CV 1 ASSI { 463} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB3 )) 2.600 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.31073E-02 ppm1 2.524 ppm2 4.221 CV 1 ASSI { 464} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 54 and name HB3 )) 3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.78436E-03 ppm1 2.524 ppm2 1.489 CV 1 OR { 464} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 54 and name HB3 )) ASSI { 467} (( segid " " and resid 74 and name HG3 )) (( segid " " and resid 74 and name HD3 )) 3.100 1.200 1.200 peak 467 spectrum 1 weight 0.10000E+01 volume 0.66658E-03 ppm1 2.548 ppm2 1.501 CV 1 ASSI { 468} (( segid " " and resid 74 and name HD2 )) (( segid " " and resid 74 and name HD3 )) 1.900 1.900 4.100 peak 468 spectrum 1 weight 0.10000E+01 volume 0.85701E-02 ppm1 2.549 ppm2 3.320 CV 1 ASSI { 469} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 74 and name HD3 )) 3.100 1.200 1.200 peak 469 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 2.551 ppm2 1.606 CV 1 ASSI { 470} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD3 )) 3.100 1.200 1.200 peak 470 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 2.555 ppm2 0.629 CV 1 ASSI { 471} (( segid " " and resid 94 and name HA )) (( segid " " and resid 97 and name HB3 )) 4.200 2.200 1.800 peak 471 spectrum 1 weight 0.10000E+01 volume 0.95976E-03 ppm1 2.581 ppm2 3.947 CV 1 ASSI { 472} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB3 )) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.17115E-02 ppm1 2.586 ppm2 4.438 CV 1 ASSI { 473} (( segid " " and resid 101 and name HA )) (( segid " " and resid 104 and name HB3 )) 3.400 1.500 1.500 peak 473 spectrum 1 weight 0.10000E+01 volume 0.11126E-02 ppm1 2.625 ppm2 4.111 CV 1 ASSI { 476} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 39 and name HB2 )) 3.500 1.500 1.500 peak 476 spectrum 1 weight 0.10000E+01 volume 0.57384E-03 ppm1 2.650 ppm2 0.931 CV 1 ASSI { 477} (( segid " " and resid 49 and name HA )) (( segid " " and resid 39 and name HB2 )) 3.800 1.800 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.67407E-03 ppm1 2.652 ppm2 3.888 CV 1 ASSI { 478} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 39 and name HB2 )) 4.000 2.000 2.000 peak 478 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 2.653 ppm2 0.736 CV 1 ASSI { 479} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG3 )) 3.200 1.200 1.200 peak 479 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 2.655 ppm2 4.175 CV 1 ASSI { 481} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 39 and name HB2 )) 3.100 1.200 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.11026E-02 ppm1 2.663 ppm2 1.140 CV 1 ASSI { 483} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HG2 )) 2.800 2.800 3.200 peak 483 spectrum 1 weight 0.10000E+01 volume 0.32827E-02 ppm1 2.682 ppm2 1.969 CV 1 ASSI { 485} (( segid " " and resid 101 and name HA )) (( segid " " and resid 104 and name HB2 )) 3.200 3.200 2.800 peak 485 spectrum 1 weight 0.10000E+01 volume 0.10725E-02 ppm1 2.697 ppm2 4.118 CV 1 ASSI { 486} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 3.700 1.800 1.800 peak 486 spectrum 1 weight 0.10000E+01 volume 0.74677E-03 ppm1 2.786 ppm2 4.176 CV 1 ASSI { 487} (( segid " " and resid 97 and name HA )) (( segid " " and resid 97 and name HB2 )) 3.900 1.900 1.900 peak 487 spectrum 1 weight 0.10000E+01 volume 0.44855E-03 ppm1 2.791 ppm2 4.435 CV 1 ASSI { 489} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB3 )) 3.600 1.700 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.16062E-02 ppm1 2.798 ppm2 4.038 CV 1 ASSI { 490} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB3 )) 2.800 1.000 1.000 peak 490 spectrum 1 weight 0.10000E+01 volume 0.21150E-02 ppm1 2.802 ppm2 4.422 CV 1 ASSI { 491} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 491 spectrum 1 weight 0.10000E+01 volume 0.25560E-02 ppm1 2.823 ppm2 0.866 CV 1 OR { 491} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 11 and name HB3 )) ASSI { 495} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HB3 )) 1.800 1.800 4.200 peak 495 spectrum 1 weight 0.10000E+01 volume 0.17391E-01 ppm1 2.866 ppm2 3.412 CV 1 ASSI { 496} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG2 )) 3.200 1.300 1.300 peak 496 spectrum 1 weight 0.10000E+01 volume 0.99734E-03 ppm1 2.869 ppm2 4.252 CV 1 ASSI { 499} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 32 and name HG2 )) 2.400 0.700 0.700 peak 499 spectrum 1 weight 0.10000E+01 volume 0.50621E-02 ppm1 2.874 ppm2 1.973 CV 1 ASSI { 500} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 3 and name HD3 )) 1.900 1.900 4.100 peak 500 spectrum 1 weight 0.10000E+01 volume 0.11978E-01 ppm1 2.893 ppm2 3.264 CV 1 ASSI { 501} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19997E-02 ppm1 2.896 ppm2 4.424 CV 1 ASSI { 502} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HD3 )) 2.300 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.53123E-02 ppm1 2.897 ppm2 1.687 CV 1 ASSI { 503} (( segid " " and resid 53 and name HA )) (( segid " " and resid 56 and name HB2 )) 2.600 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 2.898 ppm2 4.034 CV 1 ASSI { 507} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB3 )) 3.100 1.200 1.200 peak 507 spectrum 1 weight 0.10000E+01 volume 0.12003E-02 ppm1 2.999 ppm2 7.333 CV 1 ASSI { 509} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 63 and name HB3 )) 3.300 1.300 1.300 peak 509 spectrum 1 weight 0.10000E+01 volume 0.88459E-03 ppm1 3.005 ppm2 6.936 CV 1 ASSI { 510} (( segid " " and resid 63 and name HZ )) (( segid " " and resid 75 and name HB3 )) 4.000 2.000 2.000 peak 510 spectrum 1 weight 0.10000E+01 volume 0.85952E-03 ppm1 3.013 ppm2 6.778 CV 1 ASSI { 511} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 11 and name HB2 )) 3.000 1.200 1.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 3.013 ppm2 0.870 CV 1 OR { 511} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 11 and name HB2 )) ASSI { 512} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HB2 )) 1.900 1.900 4.100 peak 512 spectrum 1 weight 0.10000E+01 volume 0.13031E-01 ppm1 3.015 ppm2 2.826 CV 1 ASSI { 516} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB3 )) 3.000 1.100 1.100 peak 516 spectrum 1 weight 0.10000E+01 volume 0.15862E-02 ppm1 3.069 ppm2 7.109 CV 1 ASSI { 517} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HD3 )) 2.400 0.700 0.700 peak 517 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 3.081 ppm2 1.730 CV 1 OR { 517} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HD2 )) OR { 517} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HD2 )) ASSI { 518} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 70 and name HD3 )) 2.100 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.12905E-01 ppm1 3.082 ppm2 1.564 CV 1 OR { 518} (( segid " " and resid 70 and name HG3 )) (( segid " " and resid 70 and name HD2 )) ASSI { 522} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 63 and name HB2 )) 3.400 1.400 1.400 peak 522 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 3.173 ppm2 6.923 CV 1 ASSI { 523} (( segid " " and resid 6 and name HG13)) (( segid " " and resid 58 and name HA2 )) 5.100 3.300 0.900 peak 523 spectrum 1 weight 0.10000E+01 volume 0.17441E-03 ppm1 3.182 ppm2 1.588 CV 1 OR { 523} (( segid " " and resid 6 and name HG12)) (( segid " " and resid 58 and name HA2 )) ASSI { 524} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 58 and name HA2 )) 2.600 0.900 0.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.17892E-02 ppm1 3.186 ppm2 1.114 CV 1 ASSI { 525} (( segid " " and resid 58 and name HA1 )) (( segid " " and resid 58 and name HA2 )) 1.800 1.800 4.200 peak 525 spectrum 1 weight 0.10000E+01 volume 0.15862E-01 ppm1 3.186 ppm2 3.653 CV 1 ASSI { 526} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 58 and name HA2 )) 2.800 1.000 1.000 peak 526 spectrum 1 weight 0.10000E+01 volume 0.18193E-02 ppm1 3.188 ppm2 0.957 CV 1 ASSI { 527} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 58 and name HA2 )) 4.100 2.100 1.900 peak 527 spectrum 1 weight 0.10000E+01 volume 0.14359E-02 ppm1 3.193 ppm2 1.938 CV 1 ASSI { 529} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 17 and name HB2 )) 2.800 1.000 1.000 peak 529 spectrum 1 weight 0.10000E+01 volume 0.31825E-02 ppm1 3.214 ppm2 0.869 CV 1 OR { 529} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 17 and name HB2 )) ASSI { 530} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HB2 )) 1.800 1.800 4.200 peak 530 spectrum 1 weight 0.10000E+01 volume 0.19345E-01 ppm1 3.216 ppm2 2.977 CV 1 ASSI { 532} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HB2 )) 3.200 1.200 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 3.220 ppm2 7.105 CV 1 ASSI { 533} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 3.700 1.700 1.700 peak 533 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 3.259 ppm2 4.297 CV 1 ASSI { 534} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HB2 )) 2.900 1.100 1.100 peak 534 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 3.260 ppm2 7.325 CV 1 ASSI { 537} (( segid " " and resid 74 and name HG2 )) (( segid " " and resid 78 and name HE2 )) 2.300 2.300 3.700 peak 537 spectrum 1 weight 0.10000E+01 volume 0.64654E-02 ppm1 3.264 ppm2 1.623 CV 1 ASSI { 539} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 3 and name HD2 )) 2.500 0.800 0.800 peak 539 spectrum 1 weight 0.10000E+01 volume 0.42099E-02 ppm1 3.265 ppm2 1.682 CV 1 OR { 539} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HD2 )) ASSI { 542} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 78 and name HE2 )) 3.200 1.300 1.300 peak 542 spectrum 1 weight 0.10000E+01 volume 0.88459E-03 ppm1 3.266 ppm2 0.720 CV 1 ASSI { 543} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 78 and name HE2 )) 3.400 1.400 1.400 peak 543 spectrum 1 weight 0.10000E+01 volume 0.88459E-03 ppm1 3.267 ppm2 1.215 CV 1 OR { 543} (( segid " " and resid 78 and name HG3 )) (( segid " " and resid 78 and name HE2 )) ASSI { 544} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HD2 )) 3.300 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.10425E-02 ppm1 3.304 ppm2 0.611 CV 1 ASSI { 545} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HD2 )) 4.000 2.000 2.000 peak 545 spectrum 1 weight 0.10000E+01 volume 0.62895E-03 ppm1 3.320 ppm2 0.934 CV 1 ASSI { 551} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 69 and name HA )) 2.600 0.800 0.800 peak 551 spectrum 1 weight 0.10000E+01 volume 0.39092E-02 ppm1 3.330 ppm2 0.404 CV 1 ASSI { 553} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 89 and name HA )) 2.400 0.700 0.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.52374E-02 ppm1 3.332 ppm2 1.466 CV 1 ASSI { 554} (( segid " " and resid 89 and name HG13)) (( segid " " and resid 89 and name HA )) 2.900 1.000 1.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 3.333 ppm2 0.551 CV 1 ASSI { 555} (( segid " " and resid 85 and name HB )) (( segid " " and resid 85 and name HA )) 2.300 0.700 0.700 peak 555 spectrum 1 weight 0.10000E+01 volume 0.64654E-02 ppm1 3.335 ppm2 1.794 CV 1 ASSI { 558} (( segid " " and resid 96 and name HG12)) (( segid " " and resid 96 and name HA )) 2.700 0.900 0.900 peak 558 spectrum 1 weight 0.10000E+01 volume 0.25059E-02 ppm1 3.403 ppm2 1.731 CV 1 ASSI { 560} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 96 and name HA )) 2.300 0.600 0.600 peak 560 spectrum 1 weight 0.10000E+01 volume 0.96478E-02 ppm1 3.406 ppm2 0.732 CV 1 OR { 560} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 96 and name HA )) ASSI { 566} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 88 and name HD2 )) 5.200 3.400 0.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.84947E-04 ppm1 3.461 ppm2 1.071 CV 1 ASSI { 567} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 88 and name HD2 )) 5.100 3.200 0.900 peak 567 spectrum 1 weight 0.10000E+01 volume 0.70417E-04 ppm1 3.462 ppm2 0.843 CV 1 OR { 567} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 88 and name HD2 )) ASSI { 569} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HD2 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.10149E-02 ppm1 3.463 ppm2 2.022 CV 1 ASSI { 570} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HD2 )) 6.000 5.800 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.17942E-04 ppm1 3.468 ppm2 1.657 CV 1 ASSI { 571} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.38089E-02 ppm1 3.536 ppm2 0.880 CV 1 ASSI { 572} (( segid " " and resid 55 and name HB )) (( segid " " and resid 55 and name HA )) 3.100 1.200 1.200 peak 572 spectrum 1 weight 0.10000E+01 volume 0.12705E-02 ppm1 3.538 ppm2 2.040 CV 1 ASSI { 573} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.60644E-02 ppm1 3.540 ppm2 1.105 CV 1 ASSI { 574} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 55 and name HA )) 2.400 0.700 0.700 peak 574 spectrum 1 weight 0.10000E+01 volume 0.44605E-02 ppm1 3.541 ppm2 0.750 CV 1 ASSI { 575} (( segid " " and resid 18 and name HB )) (( segid " " and resid 18 and name HA )) 2.900 2.900 3.100 peak 575 spectrum 1 weight 0.10000E+01 volume 0.21450E-02 ppm1 3.559 ppm2 4.155 CV 1 ASSI { 576} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 18 and name HA )) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.16138E-02 ppm1 3.560 ppm2 1.542 CV 1 ASSI { 577} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HA )) 2.500 0.800 0.800 peak 577 spectrum 1 weight 0.10000E+01 volume 0.56132E-02 ppm1 3.562 ppm2 1.006 CV 1 ASSI { 578} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 95 and name HA )) 2.100 0.600 0.600 peak 578 spectrum 1 weight 0.10000E+01 volume 0.12755E-01 ppm1 3.604 ppm2 0.874 CV 1 OR { 578} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 95 and name HA )) ASSI { 587} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 84 and name HD3 )) 3.700 1.700 1.700 peak 587 spectrum 1 weight 0.10000E+01 volume 0.97227E-03 ppm1 3.616 ppm2 0.910 CV 1 ASSI { 592} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 58 and name HA1 )) 3.900 1.900 1.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 3.655 ppm2 1.118 CV 1 ASSI { 594} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 58 and name HA1 )) 3.400 1.500 1.500 peak 594 spectrum 1 weight 0.10000E+01 volume 0.17466E-02 ppm1 3.656 ppm2 0.952 CV 1 ASSI { 595} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 58 and name HA1 )) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 3.657 ppm2 1.941 CV 1 ASSI { 596} (( segid " " and resid 74 and name HB3 )) (( segid " " and resid 74 and name HA )) 3.000 1.200 1.200 peak 596 spectrum 1 weight 0.10000E+01 volume 0.15787E-02 ppm1 3.785 ppm2 0.608 CV 1 ASSI { 597} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) 2.800 1.000 1.000 peak 597 spectrum 1 weight 0.10000E+01 volume 0.18293E-02 ppm1 3.789 ppm2 0.924 CV 1 ASSI { 598} (( segid " " and resid 46 and name HG13)) (( segid " " and resid 45 and name HA2 )) 3.800 1.800 1.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.46609E-03 ppm1 3.824 ppm2 1.664 CV 1 ASSI { 600} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 29 and name HA )) 2.400 0.700 0.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.64151E-02 ppm1 3.836 ppm2 0.750 CV 1 OR { 600} ( segid " " and resid 96 and name HG2%) (( segid " " and resid 29 and name HA )) ASSI { 602} (( segid " " and resid 45 and name HA1 )) (( segid " " and resid 45 and name HA2 )) 1.900 1.900 4.100 peak 602 spectrum 1 weight 0.10000E+01 volume 0.15862E-01 ppm1 3.838 ppm2 4.425 CV 1 ASSI { 607} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 45 and name HA2 )) 3.300 3.300 2.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.35834E-03 ppm1 3.847 ppm2 0.900 CV 1 ASSI { 608} (( segid " " and resid 33 and name HA1 )) (( segid " " and resid 33 and name HA2 )) 1.700 1.700 4.300 peak 608 spectrum 1 weight 0.10000E+01 volume 0.27314E-01 ppm1 3.849 ppm2 4.148 CV 1 ASSI { 613} (( segid " " and resid 26 and name HG2 )) (( segid " " and resid 26 and name HA )) 2.600 0.900 0.900 peak 613 spectrum 1 weight 0.10000E+01 volume 0.36586E-02 ppm1 3.861 ppm2 1.348 CV 1 OR { 613} (( segid " " and resid 26 and name HG3 )) (( segid " " and resid 26 and name HA )) ASSI { 614} ( segid " " and resid 29 and name HB% ) (( segid " " and resid 26 and name HA )) 2.500 0.800 0.800 peak 614 spectrum 1 weight 0.10000E+01 volume 0.47361E-02 ppm1 3.861 ppm2 1.234 CV 1 ASSI { 615} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 2.200 0.600 0.600 peak 615 spectrum 1 weight 0.10000E+01 volume 0.89208E-02 ppm1 3.862 ppm2 1.877 CV 1 ASSI { 617} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 84 and name HD2 )) 4.200 2.200 1.800 peak 617 spectrum 1 weight 0.10000E+01 volume 0.41096E-03 ppm1 3.863 ppm2 0.907 CV 1 ASSI { 618} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 25 and name HA )) 2.600 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.38340E-02 ppm1 3.864 ppm2 1.456 CV 1 ASSI { 619} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.37839E-02 ppm1 3.865 ppm2 0.724 CV 1 ASSI { 624} (( segid " " and resid 25 and name HB3 )) (( segid " " and resid 25 and name HA )) 3.200 1.300 1.300 peak 624 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 3.867 ppm2 1.155 CV 1 ASSI { 625} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 84 and name HD2 )) 4.100 4.100 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.10299E-03 ppm1 3.867 ppm2 3.610 CV 1 ASSI { 627} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 79 and name HA )) 2.400 0.700 0.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.59137E-02 ppm1 3.867 ppm2 1.038 CV 1 ASSI { 628} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 79 and name HA )) 2.800 1.000 1.000 peak 628 spectrum 1 weight 0.10000E+01 volume 0.27565E-02 ppm1 3.867 ppm2 0.862 CV 1 ASSI { 630} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.600 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.33078E-02 ppm1 3.870 ppm2 2.096 CV 1 ASSI { 632} (( segid " " and resid 96 and name HB )) (( segid " " and resid 93 and name HA )) 2.200 0.600 0.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.92218E-02 ppm1 3.873 ppm2 1.688 CV 1 ASSI { 633} (( segid " " and resid 25 and name HG )) (( segid " " and resid 25 and name HA )) 4.200 2.200 1.800 peak 633 spectrum 1 weight 0.10000E+01 volume 0.21701E-03 ppm1 3.873 ppm2 1.743 CV 1 ASSI { 634} ( segid " " and resid 19 and name HE% ) (( segid " " and resid 40 and name HB )) 6.000 6.000 0.000 peak 634 spectrum 1 weight 0.10000E+01 volume 0.48114E-05 ppm1 3.874 ppm2 6.789 CV 1 ASSI { 636} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HB )) 2.300 0.600 0.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.81943E-02 ppm1 3.877 ppm2 1.004 CV 1 ASSI { 641} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 49 and name HA )) 2.400 0.700 0.700 peak 641 spectrum 1 weight 0.10000E+01 volume 0.57635E-02 ppm1 3.909 ppm2 0.884 CV 1 ASSI { 642} (( segid " " and resid 49 and name HG3 )) (( segid " " and resid 49 and name HA )) 2.400 0.700 0.700 peak 642 spectrum 1 weight 0.10000E+01 volume 0.71668E-02 ppm1 3.912 ppm2 2.091 CV 1 OR { 642} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) ASSI { 643} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 49 and name HA )) 3.100 1.200 1.200 peak 643 spectrum 1 weight 0.10000E+01 volume 0.35333E-02 ppm1 3.913 ppm2 2.374 CV 1 ASSI { 644} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) 2.100 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.11602E-01 ppm1 3.913 ppm2 1.789 CV 1 OR { 644} (( segid " " and resid 49 and name HB3 )) (( segid " " and resid 49 and name HA )) ASSI { 646} (( segid " " and resid 103 and name HG13)) (( segid " " and resid 100 and name HA )) 2.900 1.100 1.100 peak 646 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 3.913 ppm2 1.188 CV 1 ASSI { 648} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 100 and name HA )) 2.600 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 3.914 ppm2 1.453 CV 1 ASSI { 649} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HA1 )) 1.700 1.700 4.300 peak 649 spectrum 1 weight 0.10000E+01 volume 0.22052E-01 ppm1 3.915 ppm2 3.262 CV 1 ASSI { 650} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 28 and name HA1 )) 4.000 2.000 2.000 peak 650 spectrum 1 weight 0.10000E+01 volume 0.88208E-03 ppm1 3.915 ppm2 0.749 CV 1 ASSI { 651} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.74677E-02 ppm1 3.915 ppm2 0.609 CV 1 ASSI { 652} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 100 and name HA )) 2.300 0.700 0.700 peak 652 spectrum 1 weight 0.10000E+01 volume 0.66407E-02 ppm1 3.916 ppm2 0.643 CV 1 ASSI { 653} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 28 and name HA1 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 3.916 ppm2 2.004 CV 1 ASSI { 654} (( segid " " and resid 93 and name HG3 )) (( segid " " and resid 28 and name HA1 )) 3.300 1.300 1.300 peak 654 spectrum 1 weight 0.10000E+01 volume 0.98981E-03 ppm1 3.920 ppm2 2.278 CV 1 OR { 654} (( segid " " and resid 93 and name HG2 )) (( segid " " and resid 28 and name HA1 )) ASSI { 655} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 22 and name HA )) 2.400 0.700 0.700 peak 655 spectrum 1 weight 0.10000E+01 volume 0.56132E-02 ppm1 3.921 ppm2 0.855 CV 1 OR { 655} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 22 and name HA )) ASSI { 658} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 99 and name HA )) 2.800 1.000 1.000 peak 658 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 3.945 ppm2 1.755 CV 1 ASSI { 659} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.700 0.900 0.900 peak 659 spectrum 1 weight 0.10000E+01 volume 0.20523E-02 ppm1 3.946 ppm2 2.796 CV 1 ASSI { 660} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 94 and name HA )) 2.500 0.800 0.800 peak 660 spectrum 1 weight 0.10000E+01 volume 0.54379E-02 ppm1 3.946 ppm2 1.444 CV 1 ASSI { 661} ( segid " " and resid 102 and name HD1%) (( segid " " and resid 99 and name HA )) 2.700 0.900 0.900 peak 661 spectrum 1 weight 0.10000E+01 volume 0.31073E-02 ppm1 3.954 ppm2 2.014 CV 1 OR { 661} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 99 and name HA )) ASSI { 662} ( segid " " and resid 99 and name HB% ) (( segid " " and resid 99 and name HA )) 2.100 0.600 0.600 peak 662 spectrum 1 weight 0.10000E+01 volume 0.11778E-01 ppm1 3.954 ppm2 1.409 CV 1 ASSI { 664} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 99 and name HA )) 2.800 0.900 0.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.35834E-02 ppm1 3.954 ppm2 1.167 CV 1 ASSI { 665} (( segid " " and resid 94 and name HB2 )) (( segid " " and resid 94 and name HA )) 2.400 0.700 0.700 peak 665 spectrum 1 weight 0.10000E+01 volume 0.51369E-02 ppm1 3.955 ppm2 1.774 CV 1 ASSI { 666} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 23 and name HA )) 2.900 1.100 1.100 peak 666 spectrum 1 weight 0.10000E+01 volume 0.21751E-02 ppm1 3.958 ppm2 1.868 CV 1 ASSI { 667} (( segid " " and resid 23 and name HG3 )) (( segid " " and resid 23 and name HA )) 2.800 0.900 0.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 3.961 ppm2 2.356 CV 1 OR { 667} (( segid " " and resid 23 and name HG2 )) (( segid " " and resid 23 and name HA )) ASSI { 668} (( segid " " and resid 23 and name HB2 )) (( segid " " and resid 23 and name HA )) 2.700 0.900 0.900 peak 668 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 3.962 ppm2 2.102 CV 1 ASSI { 669} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 57 and name HA )) 3.100 1.200 1.200 peak 669 spectrum 1 weight 0.10000E+01 volume 0.20949E-02 ppm1 3.967 ppm2 1.299 CV 1 ASSI { 670} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 57 and name HA )) 2.500 0.800 0.800 peak 670 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 3.969 ppm2 0.915 CV 1 ASSI { 672} (( segid " " and resid 26 and name HD2 )) (( segid " " and resid 23 and name HA )) 3.400 1.500 1.500 peak 672 spectrum 1 weight 0.10000E+01 volume 0.80938E-03 ppm1 3.971 ppm2 1.658 CV 1 OR { 672} (( segid " " and resid 26 and name HD3 )) (( segid " " and resid 23 and name HA )) ASSI { 673} (( segid " " and resid 57 and name HG12)) (( segid " " and resid 57 and name HA )) 2.900 1.100 1.100 peak 673 spectrum 1 weight 0.10000E+01 volume 0.16414E-02 ppm1 3.971 ppm2 1.586 CV 1 ASSI { 674} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HB )) 2.200 0.600 0.600 peak 674 spectrum 1 weight 0.10000E+01 volume 0.85450E-02 ppm1 4.006 ppm2 0.924 CV 1 ASSI { 675} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB )) 2.800 2.800 3.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.22804E-02 ppm1 4.006 ppm2 4.522 CV 1 ASSI { 676} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 67 and name HB )) 2.600 0.800 0.800 peak 676 spectrum 1 weight 0.10000E+01 volume 0.38841E-02 ppm1 4.007 ppm2 1.479 CV 1 ASSI { 678} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 72 and name HA )) 2.300 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.43351E-02 ppm1 4.019 ppm2 7.326 CV 1 ASSI { 679} ( segid " " and resid 75 and name HE% ) (( segid " " and resid 72 and name HA )) 3.600 1.600 1.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.15135E-02 ppm1 4.019 ppm2 7.111 CV 1 ASSI { 680} ( segid " " and resid 69 and name HG2%) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.37338E-02 ppm1 4.019 ppm2 0.402 CV 1 ASSI { 683} (( segid " " and resid 63 and name HZ )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 683 spectrum 1 weight 0.10000E+01 volume 0.85701E-03 ppm1 4.021 ppm2 6.778 CV 1 ASSI { 684} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HA )) 3.000 1.200 1.200 peak 684 spectrum 1 weight 0.10000E+01 volume 0.24332E-02 ppm1 4.022 ppm2 0.897 CV 1 ASSI { 686} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HA )) 3.500 1.600 1.600 peak 686 spectrum 1 weight 0.10000E+01 volume 0.84450E-03 ppm1 4.023 ppm2 1.678 CV 1 ASSI { 687} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HA )) 2.600 0.800 0.800 peak 687 spectrum 1 weight 0.10000E+01 volume 0.56384E-02 ppm1 4.023 ppm2 1.878 CV 1 ASSI { 693} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 86 and name HA )) 2.300 0.700 0.700 peak 693 spectrum 1 weight 0.10000E+01 volume 0.60393E-02 ppm1 4.039 ppm2 0.893 CV 1 ASSI { 694} (( segid " " and resid 68 and name HB3 )) (( segid " " and resid 68 and name HA )) 2.300 0.700 0.700 peak 694 spectrum 1 weight 0.10000E+01 volume 0.66905E-02 ppm1 4.094 ppm2 1.679 CV 1 OR { 694} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) ASSI { 695} ( segid " " and resid 69 and name HG1%) (( segid " " and resid 68 and name HA )) 3.900 1.900 1.900 peak 695 spectrum 1 weight 0.10000E+01 volume 0.37087E-03 ppm1 4.096 ppm2 0.023 CV 1 ASSI { 696} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HA )) 2.600 2.600 3.400 peak 696 spectrum 1 weight 0.10000E+01 volume 0.61644E-02 ppm1 4.103 ppm2 1.391 CV 1 ASSI { 697} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 101 and name HA )) 3.600 1.600 1.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.71668E-03 ppm1 4.114 ppm2 2.281 CV 1 ASSI { 698} (( segid " " and resid 77 and name HA2 )) (( segid " " and resid 77 and name HA1 )) 1.800 1.800 4.200 peak 698 spectrum 1 weight 0.10000E+01 volume 0.18218E-01 ppm1 4.115 ppm2 3.834 CV 1 ASSI { 701} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 18 and name HB )) 2.300 0.700 0.700 peak 701 spectrum 1 weight 0.10000E+01 volume 0.69161E-02 ppm1 4.129 ppm2 1.000 CV 1 ASSI { 702} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 102 and name HA )) 2.300 0.700 0.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.83947E-02 ppm1 4.131 ppm2 0.842 CV 1 OR { 702} (( segid " " and resid 102 and name HG )) (( segid " " and resid 102 and name HA )) ASSI { 703} (( segid " " and resid 102 and name HB2 )) (( segid " " and resid 102 and name HA )) 2.700 0.900 0.900 peak 703 spectrum 1 weight 0.10000E+01 volume 0.46359E-02 ppm1 4.132 ppm2 2.034 CV 1 ASSI { 704} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 704 spectrum 1 weight 0.10000E+01 volume 0.64900E-02 ppm1 4.132 ppm2 0.956 CV 1 OR { 704} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) ASSI { 705} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) 2.500 0.800 0.800 peak 705 spectrum 1 weight 0.10000E+01 volume 0.44104E-02 ppm1 4.132 ppm2 2.060 CV 1 ASSI { 710} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 24 and name HA )) 2.400 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.55379E-02 ppm1 4.155 ppm2 1.874 CV 1 ASSI { 711} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 711 spectrum 1 weight 0.10000E+01 volume 0.36085E-02 ppm1 4.162 ppm2 1.505 CV 1 OR { 711} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 30 and name HA )) ASSI { 715} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HA )) 2.800 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 4.176 ppm2 1.713 CV 1 OR { 715} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HA )) ASSI { 717} (( segid " " and resid 18 and name HA )) (( segid " " and resid 9 and name HB )) 3.000 3.000 3.000 peak 717 spectrum 1 weight 0.10000E+01 volume 0.15361E-02 ppm1 4.186 ppm2 3.557 CV 1 ASSI { 718} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB )) 2.400 0.700 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.53625E-02 ppm1 4.188 ppm2 5.525 CV 1 ASSI { 719} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 9 and name HB )) 2.800 1.000 1.000 peak 719 spectrum 1 weight 0.10000E+01 volume 0.22453E-02 ppm1 4.188 ppm2 1.541 CV 1 ASSI { 720} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 9 and name HB )) 2.200 0.600 0.600 peak 720 spectrum 1 weight 0.10000E+01 volume 0.92218E-02 ppm1 4.188 ppm2 1.028 CV 1 ASSI { 721} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 9 and name HB )) 2.900 1.000 1.000 peak 721 spectrum 1 weight 0.10000E+01 volume 0.18569E-02 ppm1 4.189 ppm2 0.864 CV 1 ASSI { 722} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 9 and name HB )) 4.100 2.100 1.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.82445E-03 ppm1 4.190 ppm2 0.671 CV 1 ASSI { 723} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 723 spectrum 1 weight 0.10000E+01 volume 0.20523E-02 ppm1 4.190 ppm2 2.376 CV 1 OR { 723} (( segid " " and resid 73 and name HG3 )) (( segid " " and resid 73 and name HA )) ASSI { 724} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 54 and name HA )) 3.300 3.300 2.700 peak 724 spectrum 1 weight 0.10000E+01 volume 0.16489E-02 ppm1 4.212 ppm2 0.848 CV 1 ASSI { 726} (( segid " " and resid 57 and name HB )) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 726 spectrum 1 weight 0.10000E+01 volume 0.31073E-02 ppm1 4.222 ppm2 1.889 CV 1 ASSI { 727} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 3.100 1.200 1.200 peak 727 spectrum 1 weight 0.10000E+01 volume 0.16463E-02 ppm1 4.226 ppm2 3.056 CV 1 ASSI { 728} (( segid " " and resid 57 and name HG13)) (( segid " " and resid 54 and name HA )) 3.400 1.400 1.400 peak 728 spectrum 1 weight 0.10000E+01 volume 0.67407E-03 ppm1 4.226 ppm2 1.288 CV 1 ASSI { 729} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HA )) 2.200 0.600 0.600 peak 729 spectrum 1 weight 0.10000E+01 volume 0.10149E-01 ppm1 4.241 ppm2 1.476 CV 1 ASSI { 730} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 48 and name HA )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.43602E-02 ppm1 4.242 ppm2 2.863 CV 1 ASSI { 732} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 732 spectrum 1 weight 0.10000E+01 volume 0.44855E-02 ppm1 4.243 ppm2 3.413 CV 1 ASSI { 735} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 16 and name HA )) 3.300 1.300 1.300 peak 735 spectrum 1 weight 0.10000E+01 volume 0.94222E-03 ppm1 4.251 ppm2 7.108 CV 1 ASSI { 736} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 59 and name HA )) 2.800 1.000 1.000 peak 736 spectrum 1 weight 0.10000E+01 volume 0.21475E-02 ppm1 4.251 ppm2 2.671 CV 1 ASSI { 737} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 16 and name HA )) 3.900 1.900 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.82943E-03 ppm1 4.252 ppm2 3.060 CV 1 ASSI { 738} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 59 and name HA )) 2.400 0.700 0.700 peak 738 spectrum 1 weight 0.10000E+01 volume 0.46108E-02 ppm1 4.252 ppm2 1.979 CV 1 ASSI { 739} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 16 and name HA )) 3.300 1.400 1.400 peak 739 spectrum 1 weight 0.10000E+01 volume 0.86952E-03 ppm1 4.253 ppm2 3.215 CV 1 ASSI { 740} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HA )) 3.800 1.800 1.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.53625E-03 ppm1 4.254 ppm2 0.946 CV 1 OR { 740} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HA )) ASSI { 741} ( segid " " and resid 16 and name HB% ) (( segid " " and resid 16 and name HA )) 2.400 0.700 0.700 peak 741 spectrum 1 weight 0.10000E+01 volume 0.68412E-02 ppm1 4.257 ppm2 1.362 CV 1 ASSI { 742} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HB )) 2.300 0.700 0.700 peak 742 spectrum 1 weight 0.10000E+01 volume 0.71919E-02 ppm1 4.289 ppm2 1.194 CV 1 ASSI { 744} ( segid " " and resid 75 and name HD% ) (( segid " " and resid 75 and name HA )) 2.900 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.13557E-02 ppm1 4.304 ppm2 7.331 CV 1 ASSI { 746} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 746 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 4.306 ppm2 2.994 CV 1 ASSI { 749} (( segid " " and resid 105 and name HG3 )) (( segid " " and resid 105 and name HA )) 2.700 0.900 0.900 peak 749 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 4.316 ppm2 2.267 CV 1 OR { 749} (( segid " " and resid 105 and name HG2 )) (( segid " " and resid 105 and name HA )) ASSI { 750} (( segid " " and resid 2 and name HB2 )) (( segid " " and resid 2 and name HA )) 2.100 0.500 0.500 peak 750 spectrum 1 weight 0.10000E+01 volume 0.14635E-01 ppm1 4.325 ppm2 1.821 CV 1 ASSI { 752} ( segid " " and resid 19 and name HD% ) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.33579E-02 ppm1 4.358 ppm2 7.106 CV 1 ASSI { 753} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 19 and name HA )) 2.500 0.800 0.800 peak 753 spectrum 1 weight 0.10000E+01 volume 0.51118E-02 ppm1 4.358 ppm2 1.471 CV 1 ASSI { 754} (( segid " " and resid 19 and name HB3 )) (( segid " " and resid 19 and name HA )) 2.600 0.800 0.800 peak 754 spectrum 1 weight 0.10000E+01 volume 0.34331E-02 ppm1 4.359 ppm2 3.060 CV 1 ASSI { 755} (( segid " " and resid 19 and name HB2 )) (( segid " " and resid 19 and name HA )) 2.700 0.900 0.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.43101E-02 ppm1 4.361 ppm2 3.218 CV 1 ASSI { 757} (( segid " " and resid 76 and name HB3 )) (( segid " " and resid 76 and name HA )) 2.300 0.700 0.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.83194E-02 ppm1 4.399 ppm2 2.633 CV 1 OR { 757} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HA )) ASSI { 758} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HA )) 2.800 1.000 1.000 peak 758 spectrum 1 weight 0.10000E+01 volume 0.32075E-02 ppm1 4.402 ppm2 1.163 CV 1 ASSI { 759} (( segid " " and resid 17 and name HD2 )) (( segid " " and resid 17 and name HA )) 3.200 1.300 1.300 peak 759 spectrum 1 weight 0.10000E+01 volume 0.10700E-02 ppm1 4.405 ppm2 6.967 CV 1 ASSI { 760} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.47611E-02 ppm1 4.406 ppm2 2.980 CV 1 ASSI { 761} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.30572E-02 ppm1 4.407 ppm2 3.215 CV 1 ASSI { 762} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 44 and name HA )) 3.100 3.100 2.900 peak 762 spectrum 1 weight 0.10000E+01 volume 0.57886E-03 ppm1 4.409 ppm2 2.960 CV 1 OR { 762} (( segid " " and resid 68 and name HE3 )) (( segid " " and resid 44 and name HA )) ASSI { 763} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 17 and name HA )) 3.100 1.200 1.200 peak 763 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 4.412 ppm2 2.174 CV 1 ASSI { 766} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 17 and name HA )) 3.700 1.700 1.700 peak 766 spectrum 1 weight 0.10000E+01 volume 0.10826E-02 ppm1 4.418 ppm2 2.782 CV 1 ASSI { 767} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HA )) 2.100 0.600 0.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.15110E-01 ppm1 4.419 ppm2 1.182 CV 1 ASSI { 768} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 60 and name HA )) 3.400 1.400 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.80687E-03 ppm1 4.422 ppm2 0.850 CV 1 ASSI { 769} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 88 and name HD3 )) 3.200 1.300 1.300 peak 769 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 4.423 ppm2 1.073 CV 1 ASSI { 770} (( segid " " and resid 88 and name HG2 )) (( segid " " and resid 88 and name HD3 )) 3.200 1.300 1.300 peak 770 spectrum 1 weight 0.10000E+01 volume 0.15912E-02 ppm1 4.424 ppm2 2.015 CV 1 ASSI { 774} (( segid " " and resid 88 and name HG3 )) (( segid " " and resid 88 and name HD3 )) 2.600 0.900 0.900 peak 774 spectrum 1 weight 0.10000E+01 volume 0.18919E-02 ppm1 4.426 ppm2 1.660 CV 1 ASSI { 776} (( segid " " and resid 88 and name HD2 )) (( segid " " and resid 88 and name HD3 )) 1.900 0.400 0.400 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 4.427 ppm2 3.461 CV 1 ASSI { 777} ( segid " " and resid 87 and name HB% ) (( segid " " and resid 88 and name HD3 )) 2.400 0.700 0.700 peak 777 spectrum 1 weight 0.10000E+01 volume 0.35333E-02 ppm1 4.427 ppm2 1.488 CV 1 ASSI { 778} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 2.300 0.700 0.700 peak 778 spectrum 1 weight 0.10000E+01 volume 0.59137E-02 ppm1 4.427 ppm2 2.099 CV 1 ASSI { 779} ( segid " " and resid 60 and name HG1%) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.30572E-02 ppm1 4.427 ppm2 0.993 CV 1 ASSI { 784} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HA )) 2.500 0.800 0.800 peak 784 spectrum 1 weight 0.10000E+01 volume 0.48365E-02 ppm1 4.438 ppm2 1.329 CV 1 ASSI { 785} (( segid " " and resid 100 and name HB2 )) (( segid " " and resid 97 and name HA )) 2.400 0.700 0.700 peak 785 spectrum 1 weight 0.10000E+01 volume 0.47862E-02 ppm1 4.441 ppm2 1.852 CV 1 ASSI { 786} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 103 and name HA )) 3.700 1.700 1.700 peak 786 spectrum 1 weight 0.10000E+01 volume 0.68663E-03 ppm1 4.450 ppm2 1.672 CV 1 ASSI { 787} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HA )) 2.300 0.700 0.700 peak 787 spectrum 1 weight 0.10000E+01 volume 0.75677E-02 ppm1 4.451 ppm2 1.015 CV 1 ASSI { 788} (( segid " " and resid 103 and name HB )) (( segid " " and resid 103 and name HA )) 2.400 0.700 0.700 peak 788 spectrum 1 weight 0.10000E+01 volume 0.56132E-02 ppm1 4.452 ppm2 2.072 CV 1 ASSI { 790} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HB )) 2.200 0.600 0.600 peak 790 spectrum 1 weight 0.10000E+01 volume 0.10024E-01 ppm1 4.476 ppm2 1.167 CV 1 ASSI { 791} (( segid " " and resid 1 and name HG2 )) (( segid " " and resid 1 and name HA )) 2.900 1.100 1.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.21926E-02 ppm1 4.504 ppm2 2.572 CV 1 OR { 791} (( segid " " and resid 1 and name HG3 )) (( segid " " and resid 1 and name HA )) ASSI { 792} (( segid " " and resid 1 and name HB2 )) (( segid " " and resid 1 and name HA )) 2.400 0.700 0.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.59891E-02 ppm1 4.504 ppm2 2.057 CV 1 OR { 792} (( segid " " and resid 1 and name HB3 )) (( segid " " and resid 1 and name HA )) ASSI { 793} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.23706E-02 ppm1 4.511 ppm2 1.760 CV 1 ASSI { 794} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 81 and name HA )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 4.513 ppm2 1.156 CV 1 ASSI { 795} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 81 and name HA )) 2.200 0.600 0.600 peak 795 spectrum 1 weight 0.10000E+01 volume 0.97227E-02 ppm1 4.513 ppm2 0.873 CV 1 ASSI { 796} ( segid " " and resid 81 and name HD1%) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 796 spectrum 1 weight 0.10000E+01 volume 0.25059E-02 ppm1 4.514 ppm2 1.319 CV 1 ASSI { 797} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 67 and name HA )) 2.900 1.100 1.100 peak 797 spectrum 1 weight 0.10000E+01 volume 0.26562E-02 ppm1 4.529 ppm2 0.920 CV 1 ASSI { 799} (( segid " " and resid 5 and name HG13)) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 799 spectrum 1 weight 0.10000E+01 volume 0.27063E-02 ppm1 4.546 ppm2 1.444 CV 1 ASSI { 800} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 5 and name HA )) 2.200 0.600 0.600 peak 800 spectrum 1 weight 0.10000E+01 volume 0.88957E-02 ppm1 4.547 ppm2 0.883 CV 1 OR { 800} (( segid " " and resid 5 and name HG12)) (( segid " " and resid 5 and name HA )) ASSI { 801} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 2.900 1.100 1.100 peak 801 spectrum 1 weight 0.10000E+01 volume 0.49867E-02 ppm1 4.547 ppm2 0.678 CV 1 ASSI { 802} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 91 and name HA )) 2.400 0.700 0.700 peak 802 spectrum 1 weight 0.10000E+01 volume 0.55128E-02 ppm1 4.550 ppm2 2.576 CV 1 ASSI { 803} (( segid " " and resid 5 and name HB )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.23305E-02 ppm1 4.550 ppm2 1.615 CV 1 ASSI { 804} (( segid " " and resid 91 and name HB2 )) (( segid " " and resid 91 and name HA )) 2.800 1.000 1.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.37338E-02 ppm1 4.551 ppm2 2.904 CV 1 ASSI { 805} (( segid " " and resid 78 and name HG3 )) (( segid " " and resid 78 and name HA )) 3.400 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.84947E-03 ppm1 4.552 ppm2 1.222 CV 1 OR { 805} (( segid " " and resid 78 and name HG2 )) (( segid " " and resid 78 and name HA )) ASSI { 807} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 807 spectrum 1 weight 0.10000E+01 volume 0.38089E-02 ppm1 4.558 ppm2 1.820 CV 1 ASSI { 808} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HA )) 2.500 2.500 3.500 peak 808 spectrum 1 weight 0.10000E+01 volume 0.97981E-02 ppm1 4.564 ppm2 4.322 CV 1 ASSI { 809} (( segid " " and resid 42 and name HA2 )) (( segid " " and resid 42 and name HA1 )) 1.900 1.900 4.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.14810E-01 ppm1 4.582 ppm2 4.015 CV 1 ASSI { 810} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HA1 )) 2.900 1.100 1.100 peak 810 spectrum 1 weight 0.10000E+01 volume 0.18518E-02 ppm1 4.582 ppm2 0.975 CV 1 ASSI { 811} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 4.605 ppm2 1.670 CV 1 ASSI { 813} (( segid " " and resid 37 and name HD2 )) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 813 spectrum 1 weight 0.10000E+01 volume 0.39092E-02 ppm1 4.606 ppm2 1.489 CV 1 OR { 813} (( segid " " and resid 37 and name HD3 )) (( segid " " and resid 37 and name HA )) ASSI { 814} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.500 0.800 0.800 peak 814 spectrum 1 weight 0.10000E+01 volume 0.47361E-02 ppm1 4.606 ppm2 1.773 CV 1 ASSI { 815} (( segid " " and resid 37 and name HG2 )) (( segid " " and resid 37 and name HA )) 3.000 1.100 1.100 peak 815 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 4.607 ppm2 1.181 CV 1 OR { 815} (( segid " " and resid 37 and name HG3 )) (( segid " " and resid 37 and name HA )) ASSI { 816} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 37 and name HA )) 3.200 1.300 1.300 peak 816 spectrum 1 weight 0.10000E+01 volume 0.20824E-02 ppm1 4.612 ppm2 0.985 CV 1 ASSI { 817} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HA )) 2.700 0.900 0.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.33328E-02 ppm1 4.634 ppm2 0.870 CV 1 OR { 817} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HA )) ASSI { 818} (( segid " " and resid 35 and name HB3 )) (( segid " " and resid 35 and name HA )) 2.100 0.600 0.600 peak 818 spectrum 1 weight 0.10000E+01 volume 0.10149E-01 ppm1 4.638 ppm2 1.636 CV 1 ASSI { 819} (( segid " " and resid 104 and name HB2 )) (( segid " " and resid 104 and name HA )) 2.300 0.700 0.700 peak 819 spectrum 1 weight 0.10000E+01 volume 0.87455E-02 ppm1 4.662 ppm2 2.684 CV 1 ASSI { 820} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 3 and name HA )) 3.300 3.300 2.700 peak 820 spectrum 1 weight 0.10000E+01 volume 0.34832E-03 ppm1 4.672 ppm2 0.652 CV 1 OR { 820} ( segid " " and resid 100 and name HD1%) (( segid " " and resid 3 and name HA )) ASSI { 821} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 2.200 0.600 0.600 peak 821 spectrum 1 weight 0.10000E+01 volume 0.10299E-01 ppm1 4.677 ppm2 2.031 CV 1 OR { 821} (( segid " " and resid 47 and name HB3 )) (( segid " " and resid 47 and name HA )) ASSI { 822} (( segid " " and resid 3 and name HD3 )) (( segid " " and resid 3 and name HA )) 2.500 0.800 0.800 peak 822 spectrum 1 weight 0.10000E+01 volume 0.44605E-02 ppm1 4.677 ppm2 2.894 CV 1 ASSI { 823} (( segid " " and resid 3 and name HB2 )) (( segid " " and resid 3 and name HA )) 2.400 0.700 0.700 peak 823 spectrum 1 weight 0.10000E+01 volume 0.59640E-02 ppm1 4.678 ppm2 1.678 CV 1 OR { 823} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 3 and name HA )) OR { 823} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 3 and name HA )) ASSI { 825} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HA )) 2.300 0.700 0.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.79687E-02 ppm1 4.679 ppm2 2.187 CV 1 ASSI { 826} (( segid " " and resid 3 and name HB3 )) (( segid " " and resid 3 and name HA )) 3.000 1.200 1.200 peak 826 spectrum 1 weight 0.10000E+01 volume 0.16990E-02 ppm1 4.679 ppm2 1.352 CV 1 ASSI { 827} (( segid " " and resid 3 and name HD2 )) (( segid " " and resid 3 and name HA )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.24607E-02 ppm1 4.680 ppm2 3.266 CV 1 ASSI { 828} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB )) 2.000 2.000 4.000 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14434E-01 ppm1 4.681 ppm2 4.440 CV 1 ASSI { 829} ( segid " " and resid 51 and name HG2%) (( segid " " and resid 51 and name HB )) 2.200 0.600 0.600 peak 829 spectrum 1 weight 0.10000E+01 volume 0.96478E-02 ppm1 4.681 ppm2 1.326 CV 1 ASSI { 830} (( segid " " and resid 71 and name HB3 )) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 4.690 ppm2 2.734 CV 1 ASSI { 831} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.700 0.900 0.900 peak 831 spectrum 1 weight 0.10000E+01 volume 0.48365E-02 ppm1 4.690 ppm2 2.935 CV 1 ASSI { 832} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 50 and name HA )) 2.500 0.800 0.800 peak 832 spectrum 1 weight 0.10000E+01 volume 0.41347E-02 ppm1 4.698 ppm2 0.969 CV 1 ASSI { 833} (( segid " " and resid 50 and name HB3 )) (( segid " " and resid 50 and name HA )) 2.800 1.000 1.000 peak 833 spectrum 1 weight 0.10000E+01 volume 0.17165E-02 ppm1 4.708 ppm2 1.268 CV 1 ASSI { 834} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 80 and name HA )) 2.500 0.800 0.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.42349E-02 ppm1 4.709 ppm2 -0.131 CV 1 ASSI { 835} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 80 and name HA )) 3.400 1.400 1.400 peak 835 spectrum 1 weight 0.10000E+01 volume 0.14709E-02 ppm1 4.709 ppm2 0.214 CV 1 ASSI { 836} (( segid " " and resid 61 and name HB )) (( segid " " and resid 80 and name HA )) 2.300 0.700 0.700 peak 836 spectrum 1 weight 0.10000E+01 volume 0.58640E-02 ppm1 4.709 ppm2 1.757 CV 1 ASSI { 838} (( segid " " and resid 80 and name HB )) (( segid " " and resid 80 and name HA )) 2.700 0.900 0.900 peak 838 spectrum 1 weight 0.10000E+01 volume 0.24934E-02 ppm1 4.710 ppm2 1.519 CV 1 ASSI { 839} ( segid " " and resid 80 and name HG2%) (( segid " " and resid 80 and name HA )) 2.600 0.900 0.900 peak 839 spectrum 1 weight 0.10000E+01 volume 0.39092E-02 ppm1 4.711 ppm2 0.369 CV 1 ASSI { 840} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 80 and name HA )) 3.400 1.400 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.19445E-02 ppm1 4.711 ppm2 0.704 CV 1 ASSI { 841} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 80 and name HA )) 3.200 1.300 1.300 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10600E-02 ppm1 4.711 ppm2 0.854 CV 1 ASSI { 842} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.36586E-02 ppm1 4.760 ppm2 2.527 CV 1 ASSI { 843} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 84 and name HA )) 3.300 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.12830E-02 ppm1 4.762 ppm2 2.049 CV 1 OR { 843} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 84 and name HA )) ASSI { 844} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 84 and name HA )) 2.400 0.700 0.700 peak 844 spectrum 1 weight 0.10000E+01 volume 0.46359E-02 ppm1 4.767 ppm2 1.899 CV 1 ASSI { 846} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.700 0.900 0.900 peak 846 spectrum 1 weight 0.10000E+01 volume 0.36586E-02 ppm1 4.792 ppm2 1.937 CV 1 ASSI { 847} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 4 and name HA )) 2.300 0.700 0.700 peak 847 spectrum 1 weight 0.10000E+01 volume 0.51118E-02 ppm1 4.792 ppm2 1.709 CV 1 ASSI { 850} (( segid " " and resid 46 and name HB )) (( segid " " and resid 46 and name HA )) 2.500 0.800 0.800 peak 850 spectrum 1 weight 0.10000E+01 volume 0.48616E-02 ppm1 4.804 ppm2 1.699 CV 1 ASSI { 852} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 46 and name HA )) 2.300 0.600 0.600 peak 852 spectrum 1 weight 0.10000E+01 volume 0.76180E-02 ppm1 4.805 ppm2 0.903 CV 1 ASSI { 853} ( segid " " and resid 10 and name HB% ) (( segid " " and resid 10 and name HA )) 2.200 0.600 0.600 peak 853 spectrum 1 weight 0.10000E+01 volume 0.82194E-02 ppm1 4.821 ppm2 1.245 CV 1 ASSI { 854} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 10 and name HA )) 2.500 0.800 0.800 peak 854 spectrum 1 weight 0.10000E+01 volume 0.49616E-02 ppm1 4.822 ppm2 0.997 CV 1 ASSI { 856} (( segid " " and resid 62 and name HG12)) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.58388E-02 ppm1 4.839 ppm2 0.825 CV 1 OR { 856} (( segid " " and resid 62 and name HG13)) (( segid " " and resid 62 and name HA )) ASSI { 857} ( segid " " and resid 80 and name HG1%) (( segid " " and resid 62 and name HA )) 3.400 1.400 1.400 peak 857 spectrum 1 weight 0.10000E+01 volume 0.11477E-02 ppm1 4.839 ppm2 -0.129 CV 1 ASSI { 858} (( segid " " and resid 62 and name HB )) (( segid " " and resid 62 and name HA )) 2.400 0.700 0.700 peak 858 spectrum 1 weight 0.10000E+01 volume 0.51118E-02 ppm1 4.841 ppm2 1.560 CV 1 ASSI { 859} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 62 and name HA )) 2.300 0.700 0.700 peak 859 spectrum 1 weight 0.10000E+01 volume 0.73924E-02 ppm1 4.841 ppm2 0.690 CV 1 ASSI { 860} (( segid " " and resid 66 and name HB3 )) (( segid " " and resid 66 and name HA )) 2.600 0.900 0.900 peak 860 spectrum 1 weight 0.10000E+01 volume 0.47862E-02 ppm1 4.884 ppm2 2.790 CV 1 ASSI { 861} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.500 0.800 0.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.43853E-02 ppm1 4.886 ppm2 2.966 CV 1 ASSI { 862} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 66 and name HA )) 3.800 1.800 1.800 peak 862 spectrum 1 weight 0.10000E+01 volume 0.41848E-03 ppm1 4.886 ppm2 0.758 CV 1 ASSI { 863} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 66 and name HA )) 2.700 2.700 3.300 peak 863 spectrum 1 weight 0.10000E+01 volume 0.11452E-02 ppm1 4.887 ppm2 0.871 CV 1 OR { 863} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 66 and name HA )) ASSI { 864} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 38 and name HA )) 2.200 0.600 0.600 peak 864 spectrum 1 weight 0.10000E+01 volume 0.11552E-01 ppm1 4.934 ppm2 0.850 CV 1 OR { 864} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) ASSI { 865} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 865 spectrum 1 weight 0.10000E+01 volume 0.24332E-02 ppm1 4.935 ppm2 1.987 CV 1 ASSI { 866} ( segid " " and resid 7 and name HB% ) (( segid " " and resid 38 and name HA )) 2.700 0.900 0.900 peak 866 spectrum 1 weight 0.10000E+01 volume 0.30321E-02 ppm1 4.935 ppm2 1.309 CV 1 ASSI { 867} (( segid " " and resid 83 and name HB )) (( segid " " and resid 83 and name HA )) 2.600 0.900 0.900 peak 867 spectrum 1 weight 0.10000E+01 volume 0.29319E-02 ppm1 4.965 ppm2 2.313 CV 1 ASSI { 868} ( segid " " and resid 87 and name HB% ) (( segid " " and resid 83 and name HA )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.17240E-03 ppm1 4.966 ppm2 1.472 CV 1 ASSI { 869} (( segid " " and resid 84 and name HD2 )) (( segid " " and resid 83 and name HA )) 2.700 0.900 0.900 peak 869 spectrum 1 weight 0.10000E+01 volume 0.50867E-02 ppm1 4.967 ppm2 3.865 CV 1 ASSI { 870} (( segid " " and resid 84 and name HD3 )) (( segid " " and resid 83 and name HA )) 2.500 0.800 0.800 peak 870 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 4.967 ppm2 3.609 CV 1 ASSI { 871} (( segid " " and resid 84 and name HG2 )) (( segid " " and resid 83 and name HA )) 4.200 2.200 1.800 peak 871 spectrum 1 weight 0.10000E+01 volume 0.96976E-03 ppm1 4.967 ppm2 2.042 CV 1 OR { 871} (( segid " " and resid 84 and name HG3 )) (( segid " " and resid 83 and name HA )) ASSI { 872} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 83 and name HA )) 2.300 0.600 0.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.79184E-02 ppm1 4.969 ppm2 0.900 CV 1 ASSI { 873} (( segid " " and resid 6 and name HB )) (( segid " " and resid 61 and name HA )) 3.800 1.800 1.800 peak 873 spectrum 1 weight 0.10000E+01 volume 0.93720E-03 ppm1 4.978 ppm2 2.191 CV 1 ASSI { 875} (( segid " " and resid 6 and name HG12)) (( segid " " and resid 61 and name HA )) 2.800 0.900 0.900 peak 875 spectrum 1 weight 0.10000E+01 volume 0.23881E-02 ppm1 4.982 ppm2 1.573 CV 1 OR { 875} (( segid " " and resid 6 and name HG13)) (( segid " " and resid 61 and name HA )) ASSI { 877} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.49365E-02 ppm1 4.982 ppm2 0.713 CV 1 ASSI { 878} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 61 and name HA )) 2.500 0.800 0.800 peak 878 spectrum 1 weight 0.10000E+01 volume 0.44104E-02 ppm1 4.983 ppm2 0.214 CV 1 ASSI { 879} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.63147E-02 ppm1 4.985 ppm2 1.764 CV 1 ASSI { 880} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 41 and name HA )) 3.800 1.800 1.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.53625E-03 ppm1 5.000 ppm2 0.906 CV 1 ASSI { 881} (( segid " " and resid 41 and name HB3 )) (( segid " " and resid 41 and name HA )) 2.900 1.000 1.000 peak 881 spectrum 1 weight 0.10000E+01 volume 0.20899E-02 ppm1 5.001 ppm2 1.845 CV 1 ASSI { 882} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HA )) 3.800 1.800 1.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.28567E-03 ppm1 5.002 ppm2 2.179 CV 1 ASSI { 883} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 41 and name HA )) 2.800 1.000 1.000 peak 883 spectrum 1 weight 0.10000E+01 volume 0.20072E-02 ppm1 5.004 ppm2 2.378 CV 1 ASSI { 885} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 39 and name HA )) 3.000 1.100 1.100 peak 885 spectrum 1 weight 0.10000E+01 volume 0.21826E-02 ppm1 5.031 ppm2 2.383 CV 1 ASSI { 887} (( segid " " and resid 48 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 887 spectrum 1 weight 0.10000E+01 volume 0.33579E-02 ppm1 5.040 ppm2 3.411 CV 1 ASSI { 888} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HA )) 2.300 0.700 0.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.47111E-02 ppm1 5.040 ppm2 2.654 CV 1 ASSI { 889} (( segid " " and resid 48 and name HB3 )) (( segid " " and resid 39 and name HA )) 2.500 0.800 0.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.30572E-02 ppm1 5.041 ppm2 2.862 CV 1 ASSI { 891} (( segid " " and resid 39 and name HG3 )) (( segid " " and resid 39 and name HA )) 3.800 1.800 1.800 peak 891 spectrum 1 weight 0.10000E+01 volume 0.30070E-03 ppm1 5.047 ppm2 1.964 CV 1 ASSI { 892} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.38590E-02 ppm1 5.185 ppm2 3.011 CV 1 ASSI { 893} (( segid " " and resid 11 and name HB3 )) (( segid " " and resid 11 and name HA )) 2.600 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.48862E-02 ppm1 5.185 ppm2 2.822 CV 1 ASSI { 894} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 894 spectrum 1 weight 0.10000E+01 volume 0.45858E-02 ppm1 5.185 ppm2 0.885 CV 1 ASSI { 895} (( segid " " and resid 40 and name HB )) (( segid " " and resid 40 and name HA )) 2.300 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.72673E-02 ppm1 5.188 ppm2 3.884 CV 1 ASSI { 896} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 40 and name HA )) 2.200 0.600 0.600 peak 896 spectrum 1 weight 0.10000E+01 volume 0.90710E-02 ppm1 5.188 ppm2 1.017 CV 1 ASSI { 898} (( segid " " and resid 8 and name HB )) (( segid " " and resid 8 and name HA )) 2.900 1.000 1.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.19596E-02 ppm1 5.206 ppm2 1.628 CV 1 ASSI { 899} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 8 and name HA )) 2.100 0.600 0.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.12479E-01 ppm1 5.206 ppm2 0.700 CV 1 ASSI { 900} (( segid " " and resid 39 and name HB3 )) (( segid " " and resid 8 and name HA )) 2.400 0.700 0.700 peak 900 spectrum 1 weight 0.10000E+01 volume 0.44855E-02 ppm1 5.207 ppm2 2.111 CV 1 ASSI { 901} (( segid " " and resid 2 and name HA )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 901 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 5.220 ppm2 4.324 CV 1 ASSI { 902} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 2.700 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 5.221 ppm2 2.845 CV 1 ASSI { 904} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 34 and name HA )) 5.100 3.300 0.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.78436E-04 ppm1 5.221 ppm2 0.883 CV 1 OR { 904} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 34 and name HA )) ASSI { 905} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 34 and name HA )) 2.600 0.900 0.900 peak 905 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 5.222 ppm2 2.133 CV 1 ASSI { 906} (( segid " " and resid 2 and name HB3 )) (( segid " " and resid 34 and name HA )) 2.700 2.700 3.300 peak 906 spectrum 1 weight 0.10000E+01 volume 0.33328E-02 ppm1 5.223 ppm2 1.809 CV 1 ASSI { 907} (( segid " " and resid 85 and name HA )) (( segid " " and resid 64 and name HA )) 3.300 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.12880E-02 ppm1 5.447 ppm2 3.336 CV 1 ASSI { 908} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 64 and name HA )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.92218E-02 ppm1 5.452 ppm2 1.073 CV 1 ASSI { 909} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 64 and name HA )) 2.200 0.600 0.600 peak 909 spectrum 1 weight 0.10000E+01 volume 0.10525E-01 ppm1 5.452 ppm2 0.800 CV 1 ASSI { 910} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 6 and name HA )) 3.900 1.900 1.900 peak 910 spectrum 1 weight 0.10000E+01 volume 0.63649E-03 ppm1 5.460 ppm2 0.554 CV 1 ASSI { 911} (( segid " " and resid 6 and name HB )) (( segid " " and resid 6 and name HA )) 2.300 0.700 0.700 peak 911 spectrum 1 weight 0.10000E+01 volume 0.61895E-02 ppm1 5.461 ppm2 2.205 CV 1 ASSI { 912} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HA )) 2.300 0.700 0.700 peak 912 spectrum 1 weight 0.10000E+01 volume 0.63649E-02 ppm1 5.461 ppm2 0.954 CV 1 ASSI { 915} (( segid " " and resid 5 and name HB )) (( segid " " and resid 6 and name HA )) 2.300 2.300 3.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.89711E-02 ppm1 5.465 ppm2 1.601 CV 1 ASSI { 917} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.300 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.55630E-02 ppm1 5.490 ppm2 3.167 CV 1 ASSI { 918} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.26562E-02 ppm1 5.491 ppm2 3.004 CV 1 ASSI { 919} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 919 spectrum 1 weight 0.10000E+01 volume 0.42600E-02 ppm1 5.491 ppm2 0.792 CV 1 ASSI { 920} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.100 0.600 0.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.12654E-01 ppm1 5.492 ppm2 2.054 CV 1 OR { 920} (( segid " " and resid 82 and name HG3 )) (( segid " " and resid 82 and name HA )) ASSI { 921} (( segid " " and resid 82 and name HG2 )) (( segid " " and resid 82 and name HA )) 2.100 0.500 0.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.14434E-01 ppm1 5.497 ppm2 2.259 CV 1 ASSI { 922} (( segid " " and resid 8 and name HB )) (( segid " " and resid 63 and name HA )) 2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.22853E-02 ppm1 5.512 ppm2 1.626 CV 1 ASSI { 923} ( segid " " and resid 63 and name HD% ) (( segid " " and resid 63 and name HA )) 2.400 0.700 0.700 peak 923 spectrum 1 weight 0.10000E+01 volume 0.60142E-02 ppm1 5.512 ppm2 6.938 CV 1 ASSI { 924} (( segid " " and resid 63 and name HB3 )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.35583E-02 ppm1 5.513 ppm2 3.000 CV 1 ASSI { 926} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 2.900 1.000 1.000 peak 926 spectrum 1 weight 0.10000E+01 volume 0.23330E-02 ppm1 5.514 ppm2 3.166 CV 1 ASSI { 928} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 928 spectrum 1 weight 0.10000E+01 volume 0.66156E-02 ppm1 5.528 ppm2 1.036 CV 1 ASSI { 931} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 36 and name HA )) 2.300 0.700 0.700 peak 931 spectrum 1 weight 0.10000E+01 volume 0.12479E-01 ppm1 5.683 ppm2 1.233 CV 1 ASSI { 932} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 36 and name HA )) 1.900 0.500 0.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.15662E-01 ppm1 5.690 ppm2 0.792 CV 1 ASSI { 8} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HA )) 3.200 1.200 1.200 peak 8 spectrum 1 weight 0.10000E+01 volume 0.13215E-02 ppm1 6.303 ppm2 4.013 CV 1 OR { 8} (( segid " " and resid 89 and name HN )) (( segid " " and resid 86 and name HA )) ASSI { 9} (( segid " " and resid 89 and name HN )) ( segid " " and resid 87 and name HB% ) 3.300 1.400 1.400 peak 9 spectrum 1 weight 0.10000E+01 volume 0.19992E-02 ppm1 6.303 ppm2 1.464 CV 1 OR { 9} (( segid " " and resid 89 and name HN )) ( segid " " and resid 24 and name HB% ) OR { 9} (( segid " " and resid 89 and name HN )) ( segid " " and resid 92 and name HB% ) ASSI { 11} (( segid " " and resid 89 and name HN )) (( segid " " and resid 21 and name HA )) 4.000 2.000 2.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.68450E-03 ppm1 6.304 ppm2 3.857 CV 1 OR { 11} (( segid " " and resid 89 and name HN )) (( segid " " and resid 92 and name HA )) ASSI { 13} (( segid " " and resid 89 and name HN )) (( segid " " and resid 89 and name HB )) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.59047E-02 ppm1 6.304 ppm2 1.847 CV 1 OR { 13} (( segid " " and resid 89 and name HN )) (( segid " " and resid 88 and name HB2 )) ASSI { 18} (( segid " " and resid 41 and name HE21)) ( segid " " and resid 8 and name HG2%) 4.500 2.500 1.500 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23466E-03 ppm1 6.685 ppm2 0.647 CV 1 OR { 18} (( segid " " and resid 41 and name HE21)) ( segid " " and resid 65 and name HG1%) ASSI { 20} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 70 and name HB2 )) 4.900 3.000 1.100 peak 20 spectrum 1 weight 0.10000E+01 volume 0.21941E-03 ppm1 6.693 ppm2 1.693 CV 1 OR { 20} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 70 and name HG2 )) OR { 20} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 46 and name HB )) ASSI { 26} (( segid " " and resid 41 and name HE21)) (( segid " " and resid 70 and name HB3 )) 4.700 2.800 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.25244E-03 ppm1 6.697 ppm2 1.481 CV 1 OR { 26} (( segid " " and resid 41 and name HE21)) ( segid " " and resid 43 and name HB% ) ASSI { 43} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 46 and name HB )) 3.800 1.800 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.16265E-03 ppm1 6.843 ppm2 1.688 CV 1 OR { 43} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 70 and name HB2 )) OR { 43} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 70 and name HG2 )) ASSI { 44} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 70 and name HB3 )) 4.300 2.400 1.700 peak 44 spectrum 1 weight 0.10000E+01 volume 0.10250E-03 ppm1 6.846 ppm2 1.456 CV 1 OR { 44} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 74 and name HG3 )) ASSI { 46} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 69 and name HA )) 4.700 2.700 1.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.19061E-03 ppm1 6.848 ppm2 3.305 CV 1 OR { 46} (( segid " " and resid 71 and name HD21)) (( segid " " and resid 74 and name HD2 )) ASSI { 51} (( segid " " and resid 48 and name HD22)) ( segid " " and resid 50 and name HD1%) 4.900 3.000 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.13893E-03 ppm1 6.855 ppm2 1.150 CV 1 OR { 51} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 37 and name HG3 )) OR { 51} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 37 and name HG2 )) ASSI { 52} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 38 and name HB )) 4.200 2.300 1.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.85559E-04 ppm1 6.855 ppm2 1.990 CV 1 OR { 52} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 47 and name HB2 )) OR { 52} (( segid " " and resid 48 and name HD22)) (( segid " " and resid 47 and name HB3 )) ASSI { 60} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 60 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 6.969 ppm2 2.774 CV 1 OR { 60} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 56 and name HB3 )) ASSI { 61} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 55 and name HB )) 4.100 2.100 1.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.34479E-03 ppm1 6.971 ppm2 2.000 CV 1 OR { 61} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 93 and name HB3 )) OR { 61} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 52 and name HB3 )) ASSI { 62} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 56 and name HA )) 4.000 2.000 2.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.43967E-03 ppm1 6.974 ppm2 4.400 CV 1 OR { 62} (( segid " " and resid 97 and name HD21)) (( segid " " and resid 97 and name HA )) ASSI { 66} (( segid " " and resid 56 and name HD21)) ( segid " " and resid 55 and name HG2%) 3.300 1.400 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.50659E-03 ppm1 6.982 ppm2 0.888 CV 1 OR { 66} (( segid " " and resid 56 and name HD21)) (( segid " " and resid 74 and name HB2 )) OR { 66} (( segid " " and resid 56 and name HD21)) ( segid " " and resid 57 and name HG2%) ASSI { 84} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HA )) 3.300 1.400 1.400 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11860E-02 ppm1 7.137 ppm2 4.106 CV 1 OR { 84} (( segid " " and resid 103 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 86} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB2 )) 2.700 0.900 0.900 peak 86 spectrum 1 weight 0.10000E+01 volume 0.35241E-02 ppm1 7.137 ppm2 2.036 CV 1 OR { 86} (( segid " " and resid 103 and name HN )) (( segid " " and resid 103 and name HB )) ASSI { 89} (( segid " " and resid 103 and name HN )) (( segid " " and resid 102 and name HB3 )) 3.300 1.300 1.300 peak 89 spectrum 1 weight 0.10000E+01 volume 0.15757E-02 ppm1 7.138 ppm2 1.460 CV 1 OR { 89} (( segid " " and resid 103 and name HN )) ( segid " " and resid 101 and name HB% ) ASSI { 95} (( segid " " and resid 95 and name HN )) (( segid " " and resid 98 and name HN )) 4.900 3.000 1.100 peak 95 spectrum 1 weight 0.10000E+01 volume 0.13300E-03 ppm1 7.143 ppm2 7.936 CV 1 OR { 95} (( segid " " and resid 95 and name HN )) (( segid " " and resid 99 and name HN )) ASSI { 101} (( segid " " and resid 95 and name HN )) (( segid " " and resid 94 and name HG2 )) 3.600 1.600 1.600 peak 101 spectrum 1 weight 0.10000E+01 volume 0.94033E-03 ppm1 7.145 ppm2 1.437 CV 1 OR { 101} (( segid " " and resid 95 and name HN )) ( segid " " and resid 98 and name HB% ) OR { 101} (( segid " " and resid 95 and name HN )) ( segid " " and resid 92 and name HB% ) ASSI { 104} (( segid " " and resid 95 and name HN )) (( segid " " and resid 92 and name HA )) 3.300 1.300 1.300 peak 104 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 7.146 ppm2 3.825 CV 1 OR { 104} (( segid " " and resid 95 and name HN )) (( segid " " and resid 93 and name HA )) ASSI { 108} (( segid " " and resid 37 and name HN )) ( segid " " and resid 6 and name HG2%) 3.300 1.300 1.300 peak 108 spectrum 1 weight 0.10000E+01 volume 0.14486E-02 ppm1 7.194 ppm2 0.942 CV 1 OR { 108} (( segid " " and resid 37 and name HN )) ( segid " " and resid 50 and name HD2%) ASSI { 116} (( segid " " and resid 37 and name HN )) (( segid " " and resid 7 and name HN )) 3.400 1.400 1.400 peak 116 spectrum 1 weight 0.10000E+01 volume 0.13300E-02 ppm1 7.202 ppm2 8.772 CV 1 OR { 116} (( segid " " and resid 37 and name HN )) (( segid " " and resid 38 and name HN )) OR { 116} (( segid " " and resid 37 and name HN )) (( segid " " and resid 5 and name HN )) ASSI { 136} (( segid " " and resid 76 and name HN )) ( segid " " and resid 55 and name HG2%) 3.700 3.700 2.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.32784E-03 ppm1 7.210 ppm2 0.859 CV 1 OR { 136} (( segid " " and resid 76 and name HN )) ( segid " " and resid 79 and name HG1%) ASSI { 137} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.100 3.100 2.900 peak 137 spectrum 1 weight 0.10000E+01 volume 0.57606E-03 ppm1 7.211 ppm2 2.019 CV 1 OR { 137} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HB3 )) OR { 137} (( segid " " and resid 76 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 159} (( segid " " and resid 85 and name HN )) (( segid " " and resid 66 and name HB3 )) 4.200 2.200 1.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.58199E-03 ppm1 7.241 ppm2 2.776 CV 1 OR { 159} (( segid " " and resid 85 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 160} (( segid " " and resid 85 and name HN )) (( segid " " and resid 86 and name HB3 )) 4.400 2.400 1.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.50322E-03 ppm1 7.242 ppm2 3.832 CV 1 OR { 160} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HD2 )) ASSI { 161} (( segid " " and resid 85 and name HN )) (( segid " " and resid 66 and name HB2 )) 4.400 2.400 1.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.24313E-03 ppm1 7.245 ppm2 2.974 CV 1 OR { 161} (( segid " " and resid 85 and name HN )) (( segid " " and resid 17 and name HB3 )) ASSI { 164} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HA )) 2.600 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.40324E-02 ppm1 7.329 ppm2 4.106 CV 1 OR { 164} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HA )) ASSI { 166} (( segid " " and resid 102 and name HN )) ( segid " " and resid 101 and name HB% ) 2.900 1.000 1.000 peak 166 spectrum 1 weight 0.10000E+01 volume 0.40917E-02 ppm1 7.329 ppm2 1.454 CV 1 OR { 166} (( segid " " and resid 102 and name HN )) (( segid " " and resid 102 and name HB3 )) ASSI { 167} (( segid " " and resid 102 and name HN )) (( segid " " and resid 101 and name HN )) 2.700 0.900 0.900 peak 167 spectrum 1 weight 0.10000E+01 volume 0.34733E-02 ppm1 7.329 ppm2 7.971 CV 1 OR { 167} (( segid " " and resid 102 and name HN )) (( segid " " and resid 104 and name HN )) ASSI { 171} (( segid " " and resid 102 and name HN )) (( segid " " and resid 100 and name HA )) 2.900 1.100 1.100 peak 171 spectrum 1 weight 0.10000E+01 volume 0.19738E-02 ppm1 7.333 ppm2 3.931 CV 1 OR { 171} (( segid " " and resid 102 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 175} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.300 0.700 0.700 peak 175 spectrum 1 weight 0.10000E+01 volume 0.68450E-02 ppm1 7.422 ppm2 7.896 CV 1 OR { 175} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) ASSI { 179} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB3 )) 2.300 0.700 0.700 peak 179 spectrum 1 weight 0.10000E+01 volume 0.81493E-02 ppm1 7.423 ppm2 1.948 CV 1 OR { 179} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB3 )) ASSI { 182} (( segid " " and resid 32 and name HN )) (( segid " " and resid 29 and name HA )) 3.200 1.200 1.200 peak 182 spectrum 1 weight 0.10000E+01 volume 0.15248E-02 ppm1 7.424 ppm2 3.826 CV 1 OR { 182} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HA2 )) ASSI { 185} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HB )) 6.000 6.000 0.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.13639E-04 ppm1 7.432 ppm2 1.994 CV 1 OR { 185} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB3 )) ASSI { 188} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 4.300 2.300 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.36427E-03 ppm1 7.437 ppm2 4.400 CV 1 OR { 188} (( segid " " and resid 90 and name HN )) (( segid " " and resid 88 and name HD3 )) ASSI { 195} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG3 )) 3.100 1.200 1.200 peak 195 spectrum 1 weight 0.10000E+01 volume 0.19653E-02 ppm1 7.439 ppm2 1.452 CV 1 OR { 195} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HG2 )) OR { 195} (( segid " " and resid 90 and name HN )) ( segid " " and resid 24 and name HB% ) ASSI { 197} (( segid " " and resid 90 and name HN )) (( segid " " and resid 92 and name HN )) 4.400 2.400 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.42526E-03 ppm1 7.439 ppm2 8.896 CV 1 OR { 197} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HN )) ASSI { 199} (( segid " " and resid 90 and name HN )) (( segid " " and resid 90 and name HA )) 2.700 0.900 0.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.37189E-02 ppm1 7.440 ppm2 4.041 CV 1 OR { 199} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HA )) ASSI { 201} (( segid " " and resid 90 and name HN )) ( segid " " and resid 89 and name HG2%) 3.400 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12538E-02 ppm1 7.440 ppm2 0.859 CV 1 OR { 201} (( segid " " and resid 54 and name HN )) ( segid " " and resid 55 and name HG2%) ASSI { 209} (( segid " " and resid 56 and name HD22)) ( segid " " and resid 55 and name HG2%) 3.500 1.500 1.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.25414E-03 ppm1 7.516 ppm2 0.888 CV 1 OR { 209} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 74 and name HB2 )) ASSI { 212} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 52 and name HB2 )) 4.500 2.500 1.500 peak 212 spectrum 1 weight 0.10000E+01 volume 0.25075E-03 ppm1 7.522 ppm2 2.035 CV 1 OR { 212} (( segid " " and resid 56 and name HD22)) (( segid " " and resid 55 and name HB )) ASSI { 222} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HA1 )) 2.800 1.000 1.000 peak 222 spectrum 1 weight 0.10000E+01 volume 0.32276E-02 ppm1 7.562 ppm2 4.408 CV 1 OR { 222} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 228} (( segid " " and resid 18 and name HN )) (( segid " " and resid 20 and name HN )) 4.600 2.600 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.21094E-03 ppm1 7.594 ppm2 8.477 CV 1 OR { 228} (( segid " " and resid 18 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 231} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB2 )) 3.400 1.500 1.500 peak 231 spectrum 1 weight 0.10000E+01 volume 0.78360E-03 ppm1 7.598 ppm2 3.176 CV 1 OR { 231} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA2 )) ASSI { 232} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.900 1.900 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.43967E-03 ppm1 7.601 ppm2 4.390 CV 1 OR { 232} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HA )) ASSI { 242} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB3 )) 4.800 2.900 1.200 peak 242 spectrum 1 weight 0.10000E+01 volume 0.15587E-03 ppm1 7.604 ppm2 2.781 CV 1 OR { 242} (( segid " " and resid 18 and name HN )) (( segid " " and resid 11 and name HB3 )) ASSI { 254} (( segid " " and resid 58 and name HN )) (( segid " " and resid 54 and name HA )) 3.600 1.600 1.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.45745E-03 ppm1 7.630 ppm2 4.203 CV 1 OR { 254} (( segid " " and resid 58 and name HN )) (( segid " " and resid 59 and name HA )) ASSI { 258} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB3 )) 3.200 3.200 2.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.61924E-03 ppm1 7.632 ppm2 2.747 CV 1 OR { 258} (( segid " " and resid 58 and name HN )) (( segid " " and resid 78 and name HE3 )) ASSI { 259} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HG12)) 3.700 1.700 1.700 peak 259 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 7.633 ppm2 1.563 CV 1 OR { 259} (( segid " " and resid 58 and name HN )) (( segid " " and resid 6 and name HG13)) ASSI { 260} (( segid " " and resid 58 and name HN )) ( segid " " and resid 6 and name HG2%) 2.900 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.29057E-02 ppm1 7.633 ppm2 0.914 CV 1 OR { 260} (( segid " " and resid 58 and name HN )) ( segid " " and resid 57 and name HG2%) ASSI { 278} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HG2 )) 3.900 1.900 1.900 peak 278 spectrum 1 weight 0.10000E+01 volume 0.81412E-03 ppm1 7.641 ppm2 2.661 CV 1 OR { 278} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 39 and name HB2 )) ASSI { 281} (( segid " " and resid 60 and name HN )) ( segid " " and resid 6 and name HD1%) 3.200 1.300 1.300 peak 281 spectrum 1 weight 0.10000E+01 volume 0.13046E-02 ppm1 7.642 ppm2 1.101 CV 1 OR { 281} (( segid " " and resid 48 and name HD21)) ( segid " " and resid 50 and name HD1%) ASSI { 282} (( segid " " and resid 60 and name HN )) ( segid " " and resid 5 and name HG2%) 2.900 1.100 1.100 peak 282 spectrum 1 weight 0.10000E+01 volume 0.24821E-02 ppm1 7.643 ppm2 0.833 CV 1 OR { 282} (( segid " " and resid 60 and name HN )) ( segid " " and resid 103 and name HD1%) OR { 282} (( segid " " and resid 60 and name HN )) ( segid " " and resid 79 and name HG1%) ASSI { 284} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HA )) 4.700 2.800 1.300 peak 284 spectrum 1 weight 0.10000E+01 volume 0.17027E-03 ppm1 7.648 ppm2 4.230 CV 1 OR { 284} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 48 and name HA )) ASSI { 285} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HB3 )) 3.700 1.700 1.700 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12199E-02 ppm1 7.653 ppm2 2.075 CV 1 OR { 285} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HB3 )) ASSI { 286} (( segid " " and resid 22 and name HN )) ( segid " " and resid 38 and name HG1%) 4.200 2.200 1.800 peak 286 spectrum 1 weight 0.10000E+01 volume 0.60488E-03 ppm1 7.653 ppm2 0.825 CV 1 OR { 286} (( segid " " and resid 22 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 286} (( segid " " and resid 22 and name HN )) ( segid " " and resid 85 and name HG2%) ASSI { 288} (( segid " " and resid 22 and name HN )) (( segid " " and resid 23 and name HN )) 2.600 0.800 0.800 peak 288 spectrum 1 weight 0.10000E+01 volume 0.36766E-02 ppm1 7.654 ppm2 8.453 CV 1 OR { 288} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 292} (( segid " " and resid 22 and name HN )) (( segid " " and resid 20 and name HA )) 3.500 1.500 1.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 7.655 ppm2 4.169 CV 1 OR { 292} (( segid " " and resid 22 and name HN )) (( segid " " and resid 9 and name HB )) ASSI { 293} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 39 and name HA )) 2.600 2.600 3.400 peak 293 spectrum 1 weight 0.10000E+01 volume 0.38206E-02 ppm1 7.655 ppm2 4.986 CV 1 OR { 293} (( segid " " and resid 49 and name HN )) (( segid " " and resid 39 and name HA )) ASSI { 294} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.500 0.800 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.48118E-02 ppm1 7.656 ppm2 3.899 CV 1 OR { 294} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) ASSI { 298} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 48 and name HB2 )) 3.400 1.500 1.500 peak 298 spectrum 1 weight 0.10000E+01 volume 0.11098E-02 ppm1 7.662 ppm2 3.400 CV 1 OR { 298} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HB2 )) ASSI { 300} (( segid " " and resid 75 and name HN )) ( segid " " and resid 6 and name HD1%) 5.700 4.000 0.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.10335E-03 ppm1 7.663 ppm2 1.104 CV 1 OR { 300} (( segid " " and resid 75 and name HN )) ( segid " " and resid 50 and name HD1%) ASSI { 301} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.500 3.500 2.500 peak 301 spectrum 1 weight 0.10000E+01 volume 0.26177E-03 ppm1 7.664 ppm2 4.748 CV 1 OR { 301} (( segid " " and resid 60 and name HN )) (( segid " " and resid 4 and name HA )) ASSI { 306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HB2 )) 3.600 1.700 1.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.58028E-03 ppm1 7.664 ppm2 2.009 CV 1 OR { 306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HB2 )) OR { 306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 55 and name HB )) ASSI { 308} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.53540E-02 ppm1 7.665 ppm2 7.210 CV 1 OR { 308} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HE )) ASSI { 310} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB2 )) 4.000 2.000 2.000 peak 310 spectrum 1 weight 0.10000E+01 volume 0.73701E-03 ppm1 7.665 ppm2 0.895 CV 1 OR { 310} (( segid " " and resid 75 and name HN )) ( segid " " and resid 55 and name HG2%) ASSI { 314} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HG3 )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.69971E-03 ppm1 7.667 ppm2 1.757 CV 1 OR { 314} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HG2 )) OR { 314} (( segid " " and resid 75 and name HN )) (( segid " " and resid 61 and name HB )) ASSI { 329} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG3 )) 3.400 1.500 1.500 peak 329 spectrum 1 weight 0.10000E+01 volume 0.18044E-02 ppm1 7.687 ppm2 2.064 CV 1 OR { 329} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HG2 )) OR { 329} (( segid " " and resid 49 and name HN )) (( segid " " and resid 39 and name HB3 )) ASSI { 333} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HA )) 3.900 1.900 1.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.47441E-03 ppm1 7.689 ppm2 4.664 CV 1 OR { 333} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 334} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) 2.700 0.900 0.900 peak 334 spectrum 1 weight 0.10000E+01 volume 0.39646E-02 ppm1 7.689 ppm2 4.225 CV 1 OR { 334} (( segid " " and resid 48 and name HD21)) (( segid " " and resid 48 and name HA )) ASSI { 342} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.000 1.100 1.100 peak 342 spectrum 1 weight 0.10000E+01 volume 0.22025E-02 ppm1 7.693 ppm2 8.911 CV 1 OR { 342} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) ASSI { 346} (( segid " " and resid 78 and name HN )) ( segid " " and resid 79 and name HG1%) 4.000 2.000 2.000 peak 346 spectrum 1 weight 0.10000E+01 volume 0.47777E-03 ppm1 7.694 ppm2 0.859 CV 1 OR { 346} (( segid " " and resid 30 and name HN )) ( segid " " and resid 35 and name HD1%) OR { 346} (( segid " " and resid 30 and name HN )) ( segid " " and resid 35 and name HD2%) ASSI { 349} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HE2 )) 3.500 1.500 1.500 peak 349 spectrum 1 weight 0.10000E+01 volume 0.11690E-02 ppm1 7.695 ppm2 3.242 CV 1 OR { 349} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HB2 )) ASSI { 351} (( segid " " and resid 91 and name HN )) ( segid " " and resid 89 and name HG2%) 3.200 1.300 1.300 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11436E-02 ppm1 7.696 ppm2 0.861 CV 1 OR { 351} (( segid " " and resid 91 and name HN )) ( segid " " and resid 95 and name HG1%) OR { 351} (( segid " " and resid 91 and name HN )) ( segid " " and resid 95 and name HG2%) ASSI { 353} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 353 spectrum 1 weight 0.10000E+01 volume 0.94881E-03 ppm1 7.699 ppm2 4.100 CV 1 OR { 353} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA1 )) ASSI { 356} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HB3 )) 3.000 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.31344E-02 ppm1 7.700 ppm2 1.800 CV 1 OR { 356} (( segid " " and resid 91 and name HN )) (( segid " " and resid 88 and name HB3 )) ASSI { 363} (( segid " " and resid 91 and name HN )) ( segid " " and resid 92 and name HB% ) 3.400 1.400 1.400 peak 363 spectrum 1 weight 0.10000E+01 volume 0.16096E-02 ppm1 7.701 ppm2 1.438 CV 1 OR { 363} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG3 )) OR { 363} (( segid " " and resid 91 and name HN )) (( segid " " and resid 90 and name HG2 )) ASSI { 374} (( segid " " and resid 19 and name HN )) (( segid " " and resid 17 and name HD2 )) 4.000 2.000 2.000 peak 374 spectrum 1 weight 0.10000E+01 volume 0.26516E-03 ppm1 7.703 ppm2 6.943 CV 1 OR { 374} (( segid " " and resid 19 and name HN )) (( segid " " and resid 23 and name HE21)) ASSI { 375} (( segid " " and resid 19 and name HN )) (( segid " " and resid 11 and name HB3 )) 4.600 2.700 1.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.34648E-03 ppm1 7.703 ppm2 2.777 CV 1 OR { 375} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 385} (( segid " " and resid 10 and name HN )) ( segid " " and resid 9 and name HG2%) 3.000 1.100 1.100 peak 385 spectrum 1 weight 0.10000E+01 volume 0.37105E-02 ppm1 7.705 ppm2 1.000 CV 1 OR { 385} (( segid " " and resid 10 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 387} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HA )) 3.400 1.400 1.400 peak 387 spectrum 1 weight 0.10000E+01 volume 0.82848E-03 ppm1 7.705 ppm2 5.170 CV 1 OR { 387} (( segid " " and resid 10 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 389} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HN )) 4.200 2.200 1.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.48967E-03 ppm1 7.706 ppm2 8.846 CV 1 OR { 389} (( segid " " and resid 10 and name HN )) (( segid " " and resid 64 and name HN )) ASSI { 394} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB2 )) 3.800 1.800 1.800 peak 394 spectrum 1 weight 0.10000E+01 volume 0.46932E-03 ppm1 7.708 ppm2 3.022 CV 1 OR { 394} (( segid " " and resid 10 and name HN )) (( segid " " and resid 63 and name HB3 )) ASSI { 396} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA2 )) 2.800 1.000 1.000 peak 396 spectrum 1 weight 0.10000E+01 volume 0.28888E-02 ppm1 7.717 ppm2 3.820 CV 1 OR { 396} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 398} (( segid " " and resid 30 and name HN )) (( segid " " and resid 28 and name HA2 )) 4.900 3.100 1.100 peak 398 spectrum 1 weight 0.10000E+01 volume 0.15672E-03 ppm1 7.718 ppm2 3.259 CV 1 OR { 398} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HE2 )) ASSI { 400} (( segid " " and resid 30 and name HN )) (( segid " " and resid 27 and name HA )) 3.400 1.400 1.400 peak 400 spectrum 1 weight 0.10000E+01 volume 0.99962E-03 ppm1 7.721 ppm2 3.984 CV 1 OR { 400} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HA )) ASSI { 403} (( segid " " and resid 30 and name HN )) ( segid " " and resid 36 and name HG2%) 3.900 1.900 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.78275E-03 ppm1 7.721 ppm2 0.715 CV 1 OR { 403} (( segid " " and resid 30 and name HN )) ( segid " " and resid 96 and name HD1%) OR { 403} (( segid " " and resid 78 and name HN )) ( segid " " and resid 61 and name HG2%) ASSI { 405} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG3 )) 4.000 2.000 2.000 peak 405 spectrum 1 weight 0.10000E+01 volume 0.53114E-03 ppm1 7.724 ppm2 1.509 CV 1 OR { 405} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HG2 )) OR { 405} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD2 )) OR { 405} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HD3 )) ASSI { 423} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 34 and name HB2 )) 4.400 2.400 1.600 peak 423 spectrum 1 weight 0.10000E+01 volume 0.45745E-03 ppm1 7.796 ppm2 2.824 CV 1 OR { 423} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 32 and name HG2 )) ASSI { 425} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 3 and name HB2 )) 3.700 1.700 1.700 peak 425 spectrum 1 weight 0.10000E+01 volume 0.66583E-03 ppm1 7.796 ppm2 1.675 CV 1 OR { 425} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 96 and name HB )) OR { 425} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 3 and name HG2 )) ASSI { 426} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 31 and name HB3 )) 2.700 2.700 3.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 7.798 ppm2 1.983 CV 1 OR { 426} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 30 and name HB2 )) ASSI { 433} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 33 and name HA1 )) 3.400 1.500 1.500 peak 433 spectrum 1 weight 0.10000E+01 volume 0.28125E-03 ppm1 7.807 ppm2 4.146 CV 1 OR { 433} (( segid " " and resid 34 and name HD22)) (( segid " " and resid 30 and name HA )) ASSI { 434} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 69 and name HA )) 5.000 3.100 1.000 peak 434 spectrum 1 weight 0.10000E+01 volume 0.92336E-04 ppm1 7.840 ppm2 3.311 CV 1 OR { 434} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 74 and name HD2 )) ASSI { 439} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 70 and name HB2 )) 3.800 1.800 1.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.16773E-03 ppm1 7.847 ppm2 1.696 CV 1 OR { 439} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 70 and name HG2 )) OR { 439} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 46 and name HB )) ASSI { 440} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 70 and name HB3 )) 4.500 2.500 1.500 peak 440 spectrum 1 weight 0.10000E+01 volume 0.76748E-04 ppm1 7.850 ppm2 1.492 CV 1 OR { 440} (( segid " " and resid 71 and name HD22)) (( segid " " and resid 74 and name HG3 )) ASSI { 442} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HG2 )) 4.400 2.400 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.48455E-03 ppm1 7.854 ppm2 2.840 CV 1 OR { 442} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 444} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HA2 )) 2.500 0.800 0.800 peak 444 spectrum 1 weight 0.10000E+01 volume 0.64805E-02 ppm1 7.855 ppm2 3.836 CV 1 OR { 444} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB3 )) OR { 444} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HB2 )) ASSI { 453} (( segid " " and resid 80 and name HN )) (( segid " " and resid 61 and name HB )) 3.900 1.900 1.900 peak 453 spectrum 1 weight 0.10000E+01 volume 0.52606E-03 ppm1 7.860 ppm2 1.739 CV 1 OR { 453} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HB2 )) ASSI { 457} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HG3 )) 3.600 1.600 1.600 peak 457 spectrum 1 weight 0.10000E+01 volume 0.19823E-02 ppm1 7.867 ppm2 2.011 CV 1 OR { 457} (( segid " " and resid 87 and name HN )) (( segid " " and resid 88 and name HG2 )) OR { 457} (( segid " " and resid 87 and name HN )) (( segid " " and resid 84 and name HG2 )) ASSI { 458} (( segid " " and resid 87 and name HN )) (( segid " " and resid 87 and name HA )) 2.600 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 7.868 ppm2 4.269 CV 1 OR { 458} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HA )) ASSI { 469} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HN )) 3.600 1.700 1.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.77260E-03 ppm1 7.881 ppm2 8.476 CV 1 OR { 469} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) ASSI { 495} (( segid " " and resid 31 and name HN )) ( segid " " and resid 96 and name HD1%) 5.300 3.600 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.92336E-04 ppm1 7.921 ppm2 0.720 CV 1 OR { 495} (( segid " " and resid 31 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 501} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB3 )) 2.200 0.600 0.600 peak 501 spectrum 1 weight 0.10000E+01 volume 0.11521E-01 ppm1 7.927 ppm2 1.969 CV 1 OR { 501} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB3 )) ASSI { 502} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HG2 )) 3.400 1.500 1.500 peak 502 spectrum 1 weight 0.10000E+01 volume 0.16858E-02 ppm1 7.928 ppm2 1.477 CV 1 OR { 502} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG3 )) OR { 502} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG2 )) ASSI { 511} (( segid " " and resid 99 and name HN )) (( segid " " and resid 62 and name HG12)) 2.900 1.100 1.100 peak 511 spectrum 1 weight 0.10000E+01 volume 0.32276E-02 ppm1 7.933 ppm2 0.809 CV 1 OR { 511} (( segid " " and resid 99 and name HN )) (( segid " " and resid 100 and name HG )) OR { 511} (( segid " " and resid 99 and name HN )) (( segid " " and resid 81 and name HG )) OR { 511} (( segid " " and resid 99 and name HN )) (( segid " " and resid 62 and name HG13)) OR { 511} (( segid " " and resid 99 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 524} (( segid " " and resid 98 and name HN )) ( segid " " and resid 95 and name HG2%) 3.400 1.500 1.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.93184E-03 ppm1 7.951 ppm2 0.822 CV 1 OR { 524} (( segid " " and resid 98 and name HN )) (( segid " " and resid 100 and name HG )) OR { 524} (( segid " " and resid 98 and name HN )) (( segid " " and resid 62 and name HG12)) OR { 524} (( segid " " and resid 98 and name HN )) (( segid " " and resid 81 and name HG )) OR { 524} (( segid " " and resid 98 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 528} (( segid " " and resid 98 and name HN )) (( segid " " and resid 94 and name HA )) 2.500 2.500 3.500 peak 528 spectrum 1 weight 0.10000E+01 volume 0.86407E-02 ppm1 7.960 ppm2 3.936 CV 1 OR { 528} (( segid " " and resid 98 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 529} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HA )) 3.600 1.600 1.600 peak 529 spectrum 1 weight 0.10000E+01 volume 0.67858E-03 ppm1 7.968 ppm2 3.904 CV 1 OR { 529} (( segid " " and resid 101 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 531} (( segid " " and resid 101 and name HN )) (( segid " " and resid 101 and name HA )) 2.600 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.39477E-02 ppm1 7.969 ppm2 4.101 CV 1 OR { 531} (( segid " " and resid 101 and name HN )) (( segid " " and resid 98 and name HA )) ASSI { 534} (( segid " " and resid 101 and name HN )) (( segid " " and resid 100 and name HG )) 3.900 1.900 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.73279E-03 ppm1 7.969 ppm2 0.815 CV 1 OR { 534} (( segid " " and resid 101 and name HN )) (( segid " " and resid 102 and name HG )) OR { 534} (( segid " " and resid 101 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 539} (( segid " " and resid 101 and name HN )) (( segid " " and resid 97 and name HB3 )) 3.900 1.900 1.900 peak 539 spectrum 1 weight 0.10000E+01 volume 0.27616E-03 ppm1 7.973 ppm2 2.585 CV 1 OR { 539} (( segid " " and resid 101 and name HN )) (( segid " " and resid 104 and name HB3 )) ASSI { 544} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 3.200 1.300 1.300 peak 544 spectrum 1 weight 0.10000E+01 volume 0.12029E-02 ppm1 7.994 ppm2 3.852 CV 1 OR { 544} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 554} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HG12)) 4.400 2.400 1.600 peak 554 spectrum 1 weight 0.10000E+01 volume 0.40324E-03 ppm1 7.996 ppm2 1.579 CV 1 OR { 554} (( segid " " and resid 56 and name HN )) (( segid " " and resid 6 and name HG13)) OR { 554} (( segid " " and resid 56 and name HN )) (( segid " " and resid 74 and name HG2 )) ASSI { 560} (( segid " " and resid 26 and name HN )) ( segid " " and resid 38 and name HG2%) 3.200 1.300 1.300 peak 560 spectrum 1 weight 0.10000E+01 volume 0.15079E-02 ppm1 7.998 ppm2 0.804 CV 1 OR { 560} (( segid " " and resid 26 and name HN )) ( segid " " and resid 38 and name HG1%) OR { 560} (( segid " " and resid 25 and name HN )) ( segid " " and resid 38 and name HG2%) OR { 560} (( segid " " and resid 25 and name HN )) ( segid " " and resid 38 and name HG1%) ASSI { 565} (( segid " " and resid 104 and name HN )) (( segid " " and resid 103 and name HB )) 3.500 1.500 1.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.15333E-02 ppm1 7.998 ppm2 2.043 CV 1 OR { 565} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HB2 )) ASSI { 566} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HE3 )) 5.100 3.300 0.900 peak 566 spectrum 1 weight 0.10000E+01 volume 0.18637E-03 ppm1 7.998 ppm2 2.940 CV 1 OR { 566} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HE2 )) OR { 566} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HE3 )) ASSI { 568} (( segid " " and resid 104 and name HN )) ( segid " " and resid 103 and name HD1%) 2.900 2.900 3.100 peak 568 spectrum 1 weight 0.10000E+01 volume 0.80222E-03 ppm1 7.998 ppm2 0.816 CV 1 OR { 568} (( segid " " and resid 104 and name HN )) (( segid " " and resid 102 and name HG )) OR { 568} (( segid " " and resid 104 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 570} (( segid " " and resid 104 and name HN )) ( segid " " and resid 101 and name HB% ) 3.600 1.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 7.999 ppm2 1.441 CV 1 OR { 570} (( segid " " and resid 104 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 578} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HD1%) 3.300 1.400 1.400 peak 578 spectrum 1 weight 0.10000E+01 volume 0.35919E-03 ppm1 8.023 ppm2 0.819 CV 1 OR { 578} (( segid " " and resid 105 and name HN )) (( segid " " and resid 100 and name HG )) OR { 578} (( segid " " and resid 105 and name HN )) ( segid " " and resid 102 and name HD2%) ASSI { 579} (( segid " " and resid 105 and name HN )) ( segid " " and resid 103 and name HG2%) 3.800 1.800 1.800 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15164E-03 ppm1 8.024 ppm2 0.994 CV 1 OR { 579} (( segid " " and resid 105 and name HN )) ( segid " " and resid 60 and name HG1%) ASSI { 590} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD1%) 4.500 2.600 1.500 peak 590 spectrum 1 weight 0.10000E+01 volume 0.34479E-03 ppm1 8.028 ppm2 0.577 CV 1 OR { 590} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD1%) ASSI { 591} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HA )) 2.500 0.800 0.800 peak 591 spectrum 1 weight 0.10000E+01 volume 0.55824E-02 ppm1 8.033 ppm2 3.857 CV 1 OR { 591} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) OR { 591} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 592} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HG )) 3.300 1.400 1.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.12368E-02 ppm1 8.034 ppm2 1.714 CV 1 OR { 592} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 593} (( segid " " and resid 25 and name HN )) (( segid " " and resid 24 and name HA )) 3.500 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.84715E-03 ppm1 8.035 ppm2 4.133 CV 1 OR { 593} (( segid " " and resid 26 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 594} (( segid " " and resid 25 and name HN )) ( segid " " and resid 24 and name HB% ) 2.600 0.900 0.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.42865E-02 ppm1 8.035 ppm2 1.438 CV 1 OR { 594} (( segid " " and resid 25 and name HN )) ( segid " " and resid 92 and name HB% ) ASSI { 595} (( segid " " and resid 25 and name HN )) ( segid " " and resid 25 and name HD2%) 3.100 1.200 1.200 peak 595 spectrum 1 weight 0.10000E+01 volume 0.29226E-02 ppm1 8.035 ppm2 0.686 CV 1 OR { 595} (( segid " " and resid 26 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 599} (( segid " " and resid 65 and name HN )) (( segid " " and resid 82 and name HG3 )) 3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.72004E-03 ppm1 8.075 ppm2 2.052 CV 1 OR { 599} (( segid " " and resid 65 and name HN )) (( segid " " and resid 82 and name HB2 )) OR { 599} (( segid " " and resid 65 and name HN )) (( segid " " and resid 84 and name HG3 )) ASSI { 613} (( segid " " and resid 65 and name HN )) (( segid " " and resid 63 and name HB3 )) 3.700 1.700 1.700 peak 613 spectrum 1 weight 0.10000E+01 volume 0.48796E-03 ppm1 8.082 ppm2 2.985 CV 1 OR { 613} (( segid " " and resid 65 and name HN )) (( segid " " and resid 66 and name HB2 )) ASSI { 623} (( segid " " and resid 6 and name HN )) ( segid " " and resid 61 and name HG2%) 3.800 1.800 1.800 peak 623 spectrum 1 weight 0.10000E+01 volume 0.24059E-02 ppm1 8.114 ppm2 0.675 CV 1 OR { 623} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD1%) ASSI { 625} (( segid " " and resid 6 and name HN )) (( segid " " and resid 60 and name HN )) 3.900 1.900 1.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.87256E-03 ppm1 8.114 ppm2 7.640 CV 1 OR { 625} (( segid " " and resid 6 and name HN )) (( segid " " and resid 58 and name HN )) ASSI { 627} (( segid " " and resid 6 and name HN )) (( segid " " and resid 7 and name HN )) 3.900 1.900 1.900 peak 627 spectrum 1 weight 0.10000E+01 volume 0.55744E-03 ppm1 8.115 ppm2 8.765 CV 1 OR { 627} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) ASSI { 630} (( segid " " and resid 24 and name HN )) (( segid " " and resid 21 and name HA )) 3.100 1.200 1.200 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15757E-02 ppm1 8.124 ppm2 3.886 CV 1 OR { 630} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 632} (( segid " " and resid 24 and name HN )) (( segid " " and resid 89 and name HG12)) 3.300 1.400 1.400 peak 632 spectrum 1 weight 0.10000E+01 volume 0.14571E-02 ppm1 8.128 ppm2 1.697 CV 1 OR { 632} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HG )) ASSI { 635} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HB3 )) 2.800 1.000 1.000 peak 635 spectrum 1 weight 0.10000E+01 volume 0.50829E-02 ppm1 8.131 ppm2 2.091 CV 1 OR { 635} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 637} (( segid " " and resid 11 and name HN )) (( segid " " and resid 41 and name HB3 )) 4.400 2.400 1.600 peak 637 spectrum 1 weight 0.10000E+01 volume 0.38121E-03 ppm1 8.131 ppm2 1.825 CV 1 OR { 637} (( segid " " and resid 24 and name HN )) (( segid " " and resid 26 and name HB3 )) OR { 637} (( segid " " and resid 24 and name HN )) (( segid " " and resid 27 and name HB3 )) ASSI { 640} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) 3.300 1.400 1.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.14571E-02 ppm1 8.133 ppm2 7.678 CV 1 OR { 640} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HN )) ASSI { 647} (( segid " " and resid 24 and name HN )) ( segid " " and resid 89 and name HG2%) 4.300 2.300 1.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.37443E-03 ppm1 8.143 ppm2 0.860 CV 1 OR { 647} (( segid " " and resid 11 and name HN )) ( segid " " and resid 85 and name HG2%) OR { 647} (( segid " " and resid 24 and name HN )) ( segid " " and resid 89 and name HD1%) OR { 647} (( segid " " and resid 24 and name HN )) ( segid " " and resid 38 and name HG1%) OR { 647} (( segid " " and resid 11 and name HN )) ( segid " " and resid 85 and name HG1%) ASSI { 649} (( segid " " and resid 11 and name HN )) ( segid " " and resid 65 and name HG1%) 5.800 4.200 0.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10081E-03 ppm1 8.144 ppm2 0.681 CV 1 OR { 649} (( segid " " and resid 24 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 654} (( segid " " and resid 55 and name HN )) (( segid " " and resid 50 and name HB3 )) 3.600 1.600 1.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.64549E-03 ppm1 8.149 ppm2 1.276 CV 1 OR { 654} (( segid " " and resid 55 and name HN )) (( segid " " and resid 57 and name HG13)) ASSI { 662} (( segid " " and resid 55 and name HN )) ( segid " " and resid 50 and name HD1%) 3.900 1.900 1.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.80815E-03 ppm1 8.151 ppm2 1.090 CV 1 OR { 662} (( segid " " and resid 55 and name HN )) ( segid " " and resid 6 and name HD1%) ASSI { 664} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HA )) 4.300 2.300 1.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.44729E-03 ppm1 8.152 ppm2 4.405 CV 1 OR { 664} (( segid " " and resid 55 and name HN )) (( segid " " and resid 51 and name HA )) ASSI { 667} (( segid " " and resid 34 and name HN )) ( segid " " and resid 96 and name HD1%) 4.200 2.200 1.800 peak 667 spectrum 1 weight 0.10000E+01 volume 0.41256E-03 ppm1 8.161 ppm2 0.721 CV 1 OR { 667} (( segid " " and resid 34 and name HN )) ( segid " " and resid 96 and name HG2%) OR { 667} (( segid " " and resid 34 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 671} (( segid " " and resid 3 and name HE )) ( segid " " and resid 103 and name HD1%) 4.000 2.000 2.000 peak 671 spectrum 1 weight 0.10000E+01 volume 0.43628E-03 ppm1 8.162 ppm2 0.806 CV 1 OR { 671} (( segid " " and resid 3 and name HE )) (( segid " " and resid 100 and name HG )) ASSI { 672} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA2 )) 3.000 1.200 1.200 peak 672 spectrum 1 weight 0.10000E+01 volume 0.26685E-02 ppm1 8.163 ppm2 3.829 CV 1 OR { 672} (( segid " " and resid 34 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 685} (( segid " " and resid 13 and name HN )) ( segid " " and resid 67 and name HG2%) 3.800 1.800 1.800 peak 685 spectrum 1 weight 0.10000E+01 volume 0.29311E-03 ppm1 8.175 ppm2 0.880 CV 1 OR { 685} (( segid " " and resid 13 and name HN )) ( segid " " and resid 85 and name HG1%) OR { 685} (( segid " " and resid 13 and name HN )) ( segid " " and resid 85 and name HG2%) ASSI { 687} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HB )) 3.000 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 8.176 ppm2 4.254 CV 1 OR { 687} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) ASSI { 690} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB3 )) 5.000 3.200 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.89796E-04 ppm1 8.176 ppm2 2.800 CV 1 OR { 690} (( segid " " and resid 13 and name HN )) (( segid " " and resid 66 and name HB3 )) ASSI { 716} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HA )) 2.700 0.900 0.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.32784E-02 ppm1 8.224 ppm2 3.902 CV 1 OR { 716} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HA )) ASSI { 720} (( segid " " and resid 100 and name HN )) ( segid " " and resid 99 and name HB% ) 2.500 0.800 0.800 peak 720 spectrum 1 weight 0.10000E+01 volume 0.65313E-02 ppm1 8.225 ppm2 1.400 CV 1 OR { 720} (( segid " " and resid 100 and name HN )) (( segid " " and resid 100 and name HB3 )) ASSI { 722} (( segid " " and resid 100 and name HN )) (( segid " " and resid 101 and name HN )) 2.400 0.700 0.700 peak 722 spectrum 1 weight 0.10000E+01 volume 0.52948E-02 ppm1 8.225 ppm2 7.948 CV 1 OR { 722} (( segid " " and resid 100 and name HN )) (( segid " " and resid 99 and name HN )) ASSI { 728} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HB )) 2.400 2.400 3.600 peak 728 spectrum 1 weight 0.10000E+01 volume 0.29057E-02 ppm1 8.247 ppm2 4.304 CV 1 OR { 728} (( segid " " and resid 15 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 730} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA2 )) 3.200 1.300 1.300 peak 730 spectrum 1 weight 0.10000E+01 volume 0.20331E-02 ppm1 8.252 ppm2 4.084 CV 1 OR { 730} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HA )) ASSI { 732} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HB3 )) 3.600 1.700 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 8.275 ppm2 1.960 CV 1 OR { 732} (( segid " " and resid 29 and name HN )) (( segid " " and resid 31 and name HB3 )) ASSI { 734} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 734 spectrum 1 weight 0.10000E+01 volume 0.54469E-02 ppm1 8.277 ppm2 3.828 CV 1 OR { 734} (( segid " " and resid 29 and name HN )) (( segid " " and resid 26 and name HA )) ASSI { 737} (( segid " " and resid 29 and name HN )) ( segid " " and resid 96 and name HD1%) 2.700 0.900 0.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.35834E-02 ppm1 8.277 ppm2 0.731 CV 1 OR { 737} (( segid " " and resid 29 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 739} (( segid " " and resid 29 and name HN )) ( segid " " and resid 36 and name HD1%) 3.900 1.900 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.63450E-03 ppm1 8.277 ppm2 0.541 CV 1 OR { 739} (( segid " " and resid 29 and name HN )) (( segid " " and resid 96 and name HG13)) ASSI { 740} (( segid " " and resid 29 and name HN )) (( segid " " and resid 96 and name HB )) 3.500 1.500 1.500 peak 740 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.277 ppm2 1.694 CV 1 OR { 740} (( segid " " and resid 29 and name HN )) (( segid " " and resid 25 and name HG )) OR { 740} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HD2 )) OR { 740} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HD3 )) ASSI { 757} (( segid " " and resid 61 and name HN )) (( segid " " and resid 6 and name HG12)) 3.900 1.900 1.900 peak 757 spectrum 1 weight 0.10000E+01 volume 0.95725E-03 ppm1 8.290 ppm2 1.532 CV 1 OR { 757} (( segid " " and resid 61 and name HN )) (( segid " " and resid 80 and name HB )) OR { 757} (( segid " " and resid 61 and name HN )) (( segid " " and resid 6 and name HG13)) ASSI { 759} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HE3 )) 3.200 1.300 1.300 peak 759 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 8.321 ppm2 2.996 CV 1 OR { 759} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HE3 )) OR { 759} (( segid " " and resid 69 and name HN )) (( segid " " and resid 72 and name HE2 )) ASSI { 760} (( segid " " and resid 69 and name HN )) ( segid " " and resid 65 and name HG2%) 3.600 1.600 1.600 peak 760 spectrum 1 weight 0.10000E+01 volume 0.85559E-03 ppm1 8.322 ppm2 0.725 CV 1 OR { 760} (( segid " " and resid 69 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 763} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB )) 2.400 0.700 0.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.77853E-02 ppm1 8.323 ppm2 1.373 CV 1 OR { 763} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HG2 )) ASSI { 769} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 3.900 1.900 1.900 peak 769 spectrum 1 weight 0.10000E+01 volume 0.47101E-03 ppm1 8.345 ppm2 3.868 CV 1 OR { 769} (( segid " " and resid 27 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 772} (( segid " " and resid 27 and name HN )) ( segid " " and resid 36 and name HG2%) 4.000 2.000 2.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.61080E-03 ppm1 8.348 ppm2 0.733 CV 1 OR { 772} (( segid " " and resid 27 and name HN )) ( segid " " and resid 96 and name HD1%) OR { 772} (( segid " " and resid 27 and name HN )) ( segid " " and resid 25 and name HD2%) ASSI { 773} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB3 )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.80137E-02 ppm1 8.350 ppm2 1.854 CV 1 OR { 773} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB3 )) ASSI { 774} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE2 )) 4.500 2.600 1.500 peak 774 spectrum 1 weight 0.10000E+01 volume 0.27786E-03 ppm1 8.350 ppm2 2.970 CV 1 OR { 774} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HE3 )) OR { 774} (( segid " " and resid 27 and name HN )) (( segid " " and resid 30 and name HE2 )) ASSI { 781} (( segid " " and resid 96 and name HN )) (( segid " " and resid 93 and name HA )) 3.100 1.200 1.200 peak 781 spectrum 1 weight 0.10000E+01 volume 0.16265E-02 ppm1 8.374 ppm2 3.855 CV 1 OR { 781} (( segid " " and resid 96 and name HN )) (( segid " " and resid 92 and name HA )) ASSI { 791} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB3 )) 2.900 2.900 3.100 peak 791 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 8.383 ppm2 2.118 CV 1 OR { 791} (( segid " " and resid 36 and name HN )) (( segid " " and resid 25 and name HB2 )) ASSI { 792} (( segid " " and resid 36 and name HN )) (( segid " " and resid 26 and name HA )) 4.800 2.900 1.200 peak 792 spectrum 1 weight 0.10000E+01 volume 0.31768E-03 ppm1 8.384 ppm2 3.831 CV 1 OR { 792} (( segid " " and resid 36 and name HN )) (( segid " " and resid 29 and name HA )) ASSI { 795} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB )) 2.800 1.000 1.000 peak 795 spectrum 1 weight 0.10000E+01 volume 0.33801E-02 ppm1 8.389 ppm2 1.186 CV 1 OR { 795} (( segid " " and resid 36 and name HN )) ( segid " " and resid 29 and name HB% ) ASSI { 797} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.75990E-03 ppm1 8.389 ppm2 8.761 CV 1 OR { 797} (( segid " " and resid 36 and name HN )) (( segid " " and resid 5 and name HN )) ASSI { 809} (( segid " " and resid 72 and name HN )) (( segid " " and resid 69 and name HB )) 5.000 3.100 1.000 peak 809 spectrum 1 weight 0.10000E+01 volume 0.17366E-03 ppm1 8.395 ppm2 1.374 CV 1 OR { 809} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) OR { 809} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD3 )) ASSI { 814} (( segid " " and resid 72 and name HN )) (( segid " " and resid 70 and name HA )) 3.200 1.300 1.300 peak 814 spectrum 1 weight 0.10000E+01 volume 0.14062E-02 ppm1 8.397 ppm2 4.156 CV 1 OR { 814} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 815} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HE )) 3.600 1.600 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.89796E-03 ppm1 8.398 ppm2 7.191 CV 1 OR { 815} (( segid " " and resid 72 and name HN )) (( segid " " and resid 76 and name HN )) ASSI { 817} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HN )) 3.900 1.900 1.900 peak 817 spectrum 1 weight 0.10000E+01 volume 0.57777E-03 ppm1 8.406 ppm2 7.998 CV 1 OR { 817} (( segid " " and resid 28 and name HN )) (( segid " " and resid 25 and name HN )) ASSI { 823} (( segid " " and resid 28 and name HN )) ( segid " " and resid 92 and name HB% ) 3.100 1.200 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 8.409 ppm2 1.425 CV 1 OR { 823} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG2 )) OR { 823} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HG3 )) ASSI { 824} (( segid " " and resid 28 and name HN )) ( segid " " and resid 96 and name HD1%) 3.900 1.900 1.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.71246E-03 ppm1 8.409 ppm2 0.727 CV 1 OR { 824} (( segid " " and resid 28 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 828} (( segid " " and resid 23 and name HN )) (( segid " " and resid 20 and name HA )) 3.200 1.200 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.14571E-02 ppm1 8.424 ppm2 4.155 CV 1 OR { 828} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) ASSI { 829} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA )) 2.600 0.900 0.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.38545E-02 ppm1 8.424 ppm2 3.934 CV 1 OR { 829} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) ASSI { 837} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.55573E-03 ppm1 8.428 ppm2 4.096 CV 1 OR { 837} (( segid " " and resid 16 and name HN )) (( segid " " and resid 14 and name HA2 )) ASSI { 843} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) 2.200 0.600 0.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.86407E-02 ppm1 8.461 ppm2 2.153 CV 1 OR { 843} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 845} (( segid " " and resid 20 and name HN )) (( segid " " and resid 17 and name HA )) 3.000 1.200 1.200 peak 845 spectrum 1 weight 0.10000E+01 volume 0.18553E-02 ppm1 8.463 ppm2 4.363 CV 1 OR { 845} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA )) ASSI { 852} (( segid " " and resid 41 and name HN )) (( segid " " and resid 10 and name HA )) 2.800 1.000 1.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.29311E-02 ppm1 8.467 ppm2 4.770 CV 1 OR { 852} (( segid " " and resid 41 and name HN )) (( segid " " and resid 46 and name HA )) ASSI { 858} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HG2%) 2.900 1.000 1.000 peak 858 spectrum 1 weight 0.10000E+01 volume 0.33292E-02 ppm1 8.468 ppm2 0.989 CV 1 OR { 858} (( segid " " and resid 41 and name HN )) ( segid " " and resid 18 and name HG2%) ASSI { 860} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB )) 3.400 1.400 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.17197E-02 ppm1 8.470 ppm2 3.858 CV 1 OR { 860} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HA )) ASSI { 861} (( segid " " and resid 41 and name HN )) ( segid " " and resid 46 and name HG2%) 4.200 2.200 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.41849E-03 ppm1 8.471 ppm2 0.860 CV 1 OR { 861} (( segid " " and resid 20 and name HN )) ( segid " " and resid 89 and name HD1%) OR { 861} (( segid " " and resid 20 and name HN )) ( segid " " and resid 89 and name HG2%) ASSI { 865} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB )) 2.500 0.800 0.800 peak 865 spectrum 1 weight 0.10000E+01 volume 0.52948E-02 ppm1 8.477 ppm2 1.687 CV 1 OR { 865} (( segid " " and resid 21 and name HN )) (( segid " " and resid 89 and name HG12)) ASSI { 867} (( segid " " and resid 21 and name HN )) ( segid " " and resid 89 and name HD1%) 3.000 1.100 1.100 peak 867 spectrum 1 weight 0.10000E+01 volume 0.30158E-02 ppm1 8.485 ppm2 0.874 CV 1 OR { 867} (( segid " " and resid 46 and name HN )) ( segid " " and resid 46 and name HG2%) OR { 867} (( segid " " and resid 21 and name HN )) ( segid " " and resid 85 and name HG2%) ASSI { 888} (( segid " " and resid 40 and name HN )) (( segid " " and resid 49 and name HN )) 3.700 1.700 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.92336E-03 ppm1 8.502 ppm2 7.666 CV 1 OR { 888} (( segid " " and resid 40 and name HN )) (( segid " " and resid 48 and name HD21)) ASSI { 894} (( segid " " and resid 93 and name HN )) (( segid " " and resid 93 and name HA )) 2.600 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.39900E-02 ppm1 8.520 ppm2 3.853 CV 1 OR { 894} (( segid " " and resid 93 and name HN )) (( segid " " and resid 92 and name HA )) ASSI { 910} (( segid " " and resid 62 and name HN )) (( segid " " and resid 62 and name HB )) 2.500 0.800 0.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.46169E-02 ppm1 8.573 ppm2 1.542 CV 1 OR { 910} (( segid " " and resid 62 and name HN )) (( segid " " and resid 6 and name HG12)) ASSI { 911} (( segid " " and resid 62 and name HN )) ( segid " " and resid 62 and name HG2%) 3.400 1.400 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.21771E-02 ppm1 8.573 ppm2 0.670 CV 1 OR { 911} (( segid " " and resid 62 and name HN )) ( segid " " and resid 61 and name HG2%) ASSI { 920} (( segid " " and resid 97 and name HN )) (( segid " " and resid 95 and name HN )) 3.900 1.900 1.900 peak 920 spectrum 1 weight 0.10000E+01 volume 0.75312E-03 ppm1 8.725 ppm2 7.183 CV 1 OR { 920} (( segid " " and resid 97 and name HN )) (( segid " " and resid 97 and name HD22)) ASSI { 932} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HB% ) 4.700 2.800 1.300 peak 932 spectrum 1 weight 0.10000E+01 volume 0.18976E-03 ppm1 8.728 ppm2 1.488 CV 1 OR { 932} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HD3 )) ASSI { 944} (( segid " " and resid 38 and name HN )) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 944 spectrum 1 weight 0.10000E+01 volume 0.14401E-03 ppm1 8.754 ppm2 8.359 CV 1 OR { 944} (( segid " " and resid 43 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 952} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HE2 )) 3.900 1.900 1.900 peak 952 spectrum 1 weight 0.10000E+01 volume 0.60232E-03 ppm1 8.760 ppm2 2.811 CV 1 OR { 952} (( segid " " and resid 38 and name HN )) (( segid " " and resid 48 and name HB3 )) ASSI { 965} (( segid " " and resid 35 and name HN )) ( segid " " and resid 29 and name HB% ) 3.700 1.700 1.700 peak 965 spectrum 1 weight 0.10000E+01 volume 0.55066E-03 ppm1 8.763 ppm2 1.209 CV 1 OR { 965} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HB )) ASSI { 981} (( segid " " and resid 35 and name HN )) ( segid " " and resid 5 and name HD1%) 2.900 2.900 3.100 peak 981 spectrum 1 weight 0.10000E+01 volume 0.33377E-02 ppm1 8.769 ppm2 0.713 CV 1 OR { 981} (( segid " " and resid 35 and name HN )) ( segid " " and resid 36 and name HG2%) ASSI { 987} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.600 0.900 0.900 peak 987 spectrum 1 weight 0.10000E+01 volume 0.43458E-02 ppm1 8.789 ppm2 1.734 CV 1 OR { 987} (( segid " " and resid 81 and name HN )) (( segid " " and resid 61 and name HB )) ASSI { 996} (( segid " " and resid 7 and name HN )) ( segid " " and resid 50 and name HD1%) 2.800 1.000 1.000 peak 996 spectrum 1 weight 0.10000E+01 volume 0.32276E-02 ppm1 8.791 ppm2 1.113 CV 1 OR { 996} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HD1%) ASSI { 1000} (( segid " " and resid 7 and name HN )) (( segid " " and resid 36 and name HG13)) 3.100 1.200 1.200 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 8.792 ppm2 0.810 CV 1 OR { 1000} (( segid " " and resid 7 and name HN )) ( segid " " and resid 5 and name HG2%) OR { 1000} (( segid " " and resid 7 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 1002} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HG )) 3.000 1.200 1.200 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.30836E-02 ppm1 8.792 ppm2 0.831 CV 1 OR { 1002} (( segid " " and resid 81 and name HN )) (( segid " " and resid 62 and name HG12)) OR { 1002} (( segid " " and resid 81 and name HN )) (( segid " " and resid 62 and name HG13)) ASSI { 1011} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG12)) 4.000 2.000 2.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.58621E-03 ppm1 8.796 ppm2 1.558 CV 1 OR { 1011} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HG13)) OR { 1011} (( segid " " and resid 7 and name HN )) (( segid " " and resid 62 and name HB )) ASSI { 1019} (( segid " " and resid 64 and name HN )) ( segid " " and resid 65 and name HG1%) 2.700 0.900 0.900 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.31937E-02 ppm1 8.841 ppm2 0.655 CV 1 OR { 1019} (( segid " " and resid 64 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 1028} (( segid " " and resid 9 and name HN )) (( segid " " and resid 38 and name HB )) 5.500 3.800 0.500 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.10081E-03 ppm1 8.848 ppm2 1.944 CV 1 OR { 1028} (( segid " " and resid 9 and name HN )) (( segid " " and resid 39 and name HG3 )) ASSI { 1034} (( segid " " and resid 9 and name HN )) (( segid " " and resid 22 and name HA )) 4.000 2.000 2.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.60654E-03 ppm1 8.854 ppm2 3.875 CV 1 OR { 1034} (( segid " " and resid 9 and name HN )) (( segid " " and resid 40 and name HB )) ASSI { 1038} (( segid " " and resid 9 and name HN )) ( segid " " and resid 8 and name HG2%) 3.300 1.300 1.300 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.29819E-02 ppm1 8.855 ppm2 0.640 CV 1 OR { 1038} (( segid " " and resid 9 and name HN )) ( segid " " and resid 65 and name HG1%) ASSI { 1039} (( segid " " and resid 9 and name HN )) (( segid " " and resid 41 and name HN )) 3.700 1.800 1.800 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.52099E-03 ppm1 8.855 ppm2 8.465 CV 1 OR { 1039} (( segid " " and resid 9 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 1051} (( segid " " and resid 92 and name HN )) (( segid " " and resid 94 and name HB2 )) 3.600 1.600 1.600 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 8.858 ppm2 1.786 CV 1 OR { 1051} (( segid " " and resid 92 and name HN )) (( segid " " and resid 88 and name HB3 )) ASSI { 1061} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG3 )) 2.500 0.800 0.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.76156E-02 ppm1 8.874 ppm2 1.660 CV 1 OR { 1061} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HD3 )) OR { 1061} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HB2 )) OR { 1061} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HG2 )) ASSI { 1062} (( segid " " and resid 4 and name HN )) (( segid " " and resid 60 and name HN )) 6.000 6.000 0.000 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.23042E-04 ppm1 8.874 ppm2 7.607 CV 1 OR { 1062} (( segid " " and resid 4 and name HN )) (( segid " " and resid 58 and name HN )) ASSI { 1068} (( segid " " and resid 4 and name HN )) ( segid " " and resid 57 and name HG2%) 3.800 1.800 1.800 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.10081E-02 ppm1 8.877 ppm2 0.871 CV 1 OR { 1068} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HG12)) ASSI { 1076} (( segid " " and resid 79 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.500 1.500 1.500 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.63535E-03 ppm1 8.894 ppm2 3.243 CV 1 OR { 1076} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HE2 )) ASSI { 1091} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.300 0.600 0.600 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.79886E-02 ppm1 8.910 ppm2 2.004 CV 1 OR { 1091} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HB2 )) OR { 1091} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB3 )) ASSI { 1097} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB )) 2.100 0.500 0.500 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.15587E-01 ppm1 8.922 ppm2 4.671 CV 1 OR { 1097} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) ASSI { 1101} (( segid " " and resid 48 and name HN )) ( segid " " and resid 46 and name HG2%) 3.800 1.800 1.800 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.49559E-03 ppm1 8.930 ppm2 0.889 CV 1 OR { 1101} (( segid " " and resid 52 and name HN )) ( segid " " and resid 55 and name HG2%) ASSI { 1102} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB2 )) 3.900 1.900 1.900 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.73360E-03 ppm1 8.931 ppm2 1.748 CV 1 OR { 1102} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 1102} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HB3 )) ASSI { 1109} (( segid " " and resid 8 and name HN )) ( segid " " and resid 9 and name HG2%) 3.100 1.200 1.200 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.16773E-02 ppm1 8.941 ppm2 1.033 CV 1 OR { 1109} (( segid " " and resid 8 and name HN )) ( segid " " and resid 64 and name HB% ) ASSI { 1116} (( segid " " and resid 8 and name HN )) ( segid " " and resid 8 and name HG1%) 3.200 1.300 1.300 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.28040E-02 ppm1 8.943 ppm2 0.705 CV 1 OR { 1116} (( segid " " and resid 8 and name HN )) ( segid " " and resid 62 and name HG2%) ASSI { 1122} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name HN )) 3.200 3.200 2.800 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.80308E-03 ppm1 9.000 ppm2 7.880 CV 1 OR { 1122} (( segid " " and resid 47 and name HN )) (( segid " " and resid 71 and name HD22)) ASSI { 1128} (( segid " " and resid 47 and name HN )) (( segid " " and resid 40 and name HN )) 3.000 1.100 1.100 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.20924E-02 ppm1 9.004 ppm2 8.494 CV 1 OR { 1128} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 1136} (( segid " " and resid 39 and name HN )) (( segid " " and resid 7 and name HN )) 3.700 1.700 1.700 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.91492E-03 ppm1 9.213 ppm2 8.790 CV 1 OR { 1136} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 1142} (( segid " " and resid 39 and name HN )) ( segid " " and resid 7 and name HB% ) 3.400 1.400 1.400 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.53540E-03 ppm1 9.215 ppm2 1.288 CV 1 OR { 1142} (( segid " " and resid 39 and name HN )) (( segid " " and resid 50 and name HB3 )) ASSI { 1145} (( segid " " and resid 63 and name HN )) ( segid " " and resid 7 and name HB% ) 3.900 1.900 1.900 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.60147E-03 ppm1 9.318 ppm2 1.301 CV 1 OR { 1145} (( segid " " and resid 63 and name HN )) ( segid " " and resid 81 and name HD1%) ASSI { 1147} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.700 0.900 0.900 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.31937E-02 ppm1 9.325 ppm2 5.468 CV 1 OR { 1147} (( segid " " and resid 63 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 1150} (( segid " " and resid 63 and name HN )) (( segid " " and resid 82 and name HG2 )) 4.800 2.800 1.200 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.23805E-03 ppm1 9.326 ppm2 2.257 CV 1 OR { 1150} (( segid " " and resid 63 and name HN )) (( segid " " and resid 83 and name HB )) ASSI { 1151} (( segid " " and resid 63 and name HN )) ( segid " " and resid 83 and name HG2%) 2.700 0.900 0.900 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.53455E-02 ppm1 9.326 ppm2 0.757 CV 1 OR { 1151} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG12)) OR { 1151} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HG13)) ASSI { 1153} (( segid " " and resid 63 and name HN )) (( segid " " and resid 81 and name HN )) 3.300 1.300 1.300 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.12707E-02 ppm1 9.327 ppm2 8.806 CV 1 OR { 1153} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) ASSI { 1160} (( segid " " and resid 63 and name HN )) (( segid " " and resid 82 and name HB2 )) 3.400 3.400 2.600 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.17959E-02 ppm1 9.331 ppm2 2.020 CV 1 OR { 1160} (( segid " " and resid 63 and name HN )) (( segid " " and resid 88 and name HG2 )) ASSI { 1161} (( segid " " and resid 63 and name HN )) (( segid " " and resid 81 and name HB2 )) 2.800 2.800 3.200 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.58791E-02 ppm1 9.338 ppm2 1.729 CV 1 OR { 1161} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB )) ASSI { 1172} (( segid " " and resid 59 and name HN )) (( segid " " and resid 59 and name HB3 )) 2.900 1.000 1.000 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.44644E-02 ppm1 9.349 ppm2 1.947 CV 1 OR { 1172} (( segid " " and resid 59 and name HN )) (( segid " " and resid 4 and name HB2 )) ASSI { 1175} (( segid " " and resid 59 and name HN )) (( segid " " and resid 5 and name HG12)) 2.900 1.100 1.100 peak 1175 spectrum 1 weight 0.10000E+01 volume 0.23296E-02 ppm1 9.351 ppm2 0.920 CV 1 OR { 1175} (( segid " " and resid 59 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 1179} (( segid " " and resid 41 and name HE22)) ( segid " " and resid 8 and name HG2%) 4.900 3.000 1.100 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.11606E-03 ppm1 9.375 ppm2 0.639 CV 1 OR { 1179} (( segid " " and resid 41 and name HE22)) ( segid " " and resid 65 and name HG1%) ASSI { 1193} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 70 and name HB2 )) 4.100 2.100 1.900 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.47948E-03 ppm1 9.383 ppm2 1.692 CV 1 OR { 1193} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 70 and name HG2 )) OR { 1193} (( segid " " and resid 41 and name HE22)) (( segid " " and resid 46 and name HB )) ASSI { 1197} (( segid " " and resid 51 and name HN )) (( segid " " and resid 37 and name HE2 )) 4.000 2.000 2.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.25922E-03 ppm1 9.387 ppm2 2.754 CV 1 OR { 1197} (( segid " " and resid 51 and name HN )) (( segid " " and resid 37 and name HE3 )) OR { 1197} (( segid " " and resid 51 and name HN )) (( segid " " and resid 71 and name HB3 )) ASSI { 1200} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HG2 )) 3.500 1.500 1.500 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.10759E-02 ppm1 9.395 ppm2 2.265 CV 1 OR { 1200} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HB )) ASSI { 1213} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HG3 )) 3.600 1.600 1.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.12114E-02 ppm1 9.558 ppm2 2.069 CV 1 OR { 1213} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HG2 )) OR { 1213} (( segid " " and resid 50 and name HN )) (( segid " " and resid 39 and name HB3 )) ASSI { 1219} (( segid " " and resid 50 and name HN )) ( segid " " and resid 50 and name HD2%) 3.500 1.500 1.500 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.14147E-02 ppm1 9.561 ppm2 0.920 CV 1 OR { 1219} (( segid " " and resid 50 and name HN )) ( segid " " and resid 46 and name HG2%) ASSI { 1222} (( segid " " and resid 50 and name HN )) ( segid " " and resid 55 and name HG1%) 3.400 1.400 1.400 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.16604E-02 ppm1 9.567 ppm2 0.732 CV 1 OR { 1222} (( segid " " and resid 50 and name HN )) ( segid " " and resid 8 and name HG1%) ASSI { 6} (( segid " " and resid 82 and name HA )) ( segid " " and resid 80 and name HG1%) 4.700 2.800 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.12304E-03 ppm1 -0.126 ppm2 5.468 CV 1 OR { 6} (( segid " " and resid 63 and name HA )) ( segid " " and resid 80 and name HG1%) ASSI { 8} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 69 and name HG1%) 3.200 1.300 1.300 peak 8 spectrum 1 weight 0.10000E+01 volume 0.87957E-03 ppm1 0.022 ppm2 3.007 CV 1 OR { 8} (( segid " " and resid 72 and name HE3 )) ( segid " " and resid 69 and name HG1%) ASSI { 11} (( segid " " and resid 8 and name HB )) ( segid " " and resid 69 and name HG1%) 3.700 1.700 1.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.71417E-03 ppm1 0.023 ppm2 1.635 CV 1 OR { 11} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 69 and name HG1%) ASSI { 13} ( segid " " and resid 65 and name HG1%) ( segid " " and resid 69 and name HG1%) 2.200 2.200 3.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.10675E-01 ppm1 0.024 ppm2 0.683 CV 1 OR { 13} ( segid " " and resid 8 and name HG1%) ( segid " " and resid 69 and name HG1%) ASSI { 26} (( segid " " and resid 75 and name HB3 )) ( segid " " and resid 80 and name HG2%) 3.800 1.800 1.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.39843E-03 ppm1 0.367 ppm2 3.000 CV 1 OR { 26} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 80 and name HG2%) ASSI { 42} (( segid " " and resid 26 and name HA )) ( segid " " and resid 36 and name HD1%) 3.300 1.400 1.400 peak 42 spectrum 1 weight 0.10000E+01 volume 0.11276E-02 ppm1 0.554 ppm2 3.865 CV 1 OR { 42} (( segid " " and resid 25 and name HA )) ( segid " " and resid 36 and name HD1%) ASSI { 49} ( segid " " and resid 9 and name HG2%) ( segid " " and resid 25 and name HD1%) 2.500 2.500 3.500 peak 49 spectrum 1 weight 0.10000E+01 volume 0.52123E-02 ppm1 0.612 ppm2 1.044 CV 1 OR { 49} ( segid " " and resid 64 and name HB% ) ( segid " " and resid 25 and name HD1%) ASSI { 52} (( segid " " and resid 62 and name HB )) ( segid " " and resid 25 and name HD1%) 2.800 0.900 0.900 peak 52 spectrum 1 weight 0.10000E+01 volume 0.31073E-02 ppm1 0.613 ppm2 1.561 CV 1 OR { 52} ( segid " " and resid 21 and name HB% ) ( segid " " and resid 25 and name HD1%) ASSI { 60} (( segid " " and resid 100 and name HA )) ( segid " " and resid 60 and name HG2%) 3.600 1.600 1.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.74677E-03 ppm1 0.657 ppm2 3.924 CV 1 OR { 60} (( segid " " and resid 99 and name HA )) ( segid " " and resid 60 and name HG2%) ASSI { 63} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 65 and name HG1%) 2.800 1.000 1.000 peak 63 spectrum 1 weight 0.10000E+01 volume 0.25309E-02 ppm1 0.679 ppm2 3.003 CV 1 OR { 63} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 65 and name HG1%) ASSI { 66} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 8 and name HG2%) 2.400 2.400 3.600 peak 66 spectrum 1 weight 0.10000E+01 volume 0.66658E-02 ppm1 0.679 ppm2 0.022 CV 1 OR { 66} ( segid " " and resid 69 and name HG1%) ( segid " " and resid 65 and name HG1%) ASSI { 73} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HD2%) 2.600 0.900 0.900 peak 73 spectrum 1 weight 0.10000E+01 volume 0.42851E-02 ppm1 0.713 ppm2 3.862 CV 1 OR { 73} (( segid " " and resid 52 and name HA )) ( segid " " and resid 55 and name HG1%) ASSI { 76} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 61 and name HG2%) 3.600 1.700 1.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.14760E-02 ppm1 0.714 ppm2 3.260 CV 1 OR { 76} (( segid " " and resid 78 and name HE2 )) ( segid " " and resid 61 and name HG2%) ASSI { 85} (( segid " " and resid 5 and name HB )) ( segid " " and resid 5 and name HD1%) 2.700 0.900 0.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.27063E-02 ppm1 0.721 ppm2 1.612 CV 1 OR { 85} (( segid " " and resid 3 and name HG3 )) ( segid " " and resid 5 and name HD1%) ASSI { 94} (( segid " " and resid 96 and name HG12)) ( segid " " and resid 96 and name HD1%) 2.200 0.600 0.600 peak 94 spectrum 1 weight 0.10000E+01 volume 0.10349E-01 ppm1 0.755 ppm2 1.734 CV 1 OR { 94} (( segid " " and resid 46 and name HB )) ( segid " " and resid 46 and name HD1%) ASSI { 95} (( segid " " and resid 93 and name HA )) ( segid " " and resid 96 and name HD1%) 2.500 0.800 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.54379E-02 ppm1 0.755 ppm2 3.859 CV 1 OR { 95} (( segid " " and resid 28 and name HA1 )) ( segid " " and resid 96 and name HD1%) ASSI { 96} ( segid " " and resid 92 and name HB% ) ( segid " " and resid 96 and name HD1%) 2.700 2.700 3.300 peak 96 spectrum 1 weight 0.10000E+01 volume 0.34080E-02 ppm1 0.755 ppm2 1.446 CV 1 OR { 96} (( segid " " and resid 70 and name HB3 )) ( segid " " and resid 46 and name HD1%) ASSI { 104} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 65 and name HG2%) 2.900 2.900 3.100 peak 104 spectrum 1 weight 0.10000E+01 volume 0.24658E-02 ppm1 0.760 ppm2 2.024 CV 1 OR { 104} (( segid " " and resid 93 and name HB3 )) ( segid " " and resid 96 and name HG2%) OR { 104} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 96 and name HG2%) ASSI { 110} (( segid " " and resid 63 and name HB3 )) ( segid " " and resid 65 and name HG2%) 2.900 1.000 1.000 peak 110 spectrum 1 weight 0.10000E+01 volume 0.18368E-02 ppm1 0.764 ppm2 2.997 CV 1 OR { 110} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 65 and name HG2%) ASSI { 112} ( segid " " and resid 29 and name HB% ) ( segid " " and resid 36 and name HG2%) 2.000 2.000 4.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.17516E-01 ppm1 0.765 ppm2 1.219 CV 1 OR { 112} (( segid " " and resid 36 and name HG12)) ( segid " " and resid 36 and name HG2%) ASSI { 114} (( segid " " and resid 26 and name HD2 )) ( segid " " and resid 36 and name HG2%) 3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.12805E-02 ppm1 0.765 ppm2 1.643 CV 1 OR { 114} (( segid " " and resid 26 and name HD3 )) ( segid " " and resid 36 and name HG2%) OR { 114} (( segid " " and resid 35 and name HB3 )) ( segid " " and resid 36 and name HG2%) OR { 114} (( segid " " and resid 37 and name HB3 )) ( segid " " and resid 36 and name HG2%) ASSI { 117} (( segid " " and resid 41 and name HG3 )) ( segid " " and resid 46 and name HD1%) 3.500 1.500 1.500 peak 117 spectrum 1 weight 0.10000E+01 volume 0.91213E-03 ppm1 0.809 ppm2 2.360 CV 1 OR { 117} (( segid " " and resid 39 and name HG2 )) ( segid " " and resid 46 and name HD1%) ASSI { 118} (( segid " " and resid 57 and name HG12)) ( segid " " and resid 57 and name HD1%) 2.000 0.500 0.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.15286E-01 ppm1 0.818 ppm2 1.601 CV 1 OR { 118} (( segid " " and resid 46 and name HG12)) ( segid " " and resid 46 and name HD1%) OR { 118} (( segid " " and resid 46 and name HG13)) ( segid " " and resid 46 and name HD1%) ASSI { 130} (( segid " " and resid 22 and name HA )) ( segid " " and resid 38 and name HG1%) 2.400 0.700 0.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.63649E-02 ppm1 0.854 ppm2 3.909 CV 1 OR { 130} (( segid " " and resid 22 and name HA )) ( segid " " and resid 38 and name HG2%) OR { 130} (( segid " " and resid 99 and name HA )) ( segid " " and resid 102 and name HD2%) ASSI { 133} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 85 and name HG1%) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.15612E-02 ppm1 0.861 ppm2 2.995 CV 1 OR { 133} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 85 and name HG1%) ASSI { 140} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 85 and name HG2%) 2.600 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.31574E-02 ppm1 0.871 ppm2 2.984 CV 1 OR { 140} (( segid " " and resid 17 and name HB3 )) ( segid " " and resid 85 and name HG2%) ASSI { 155} (( segid " " and resid 92 and name HA )) ( segid " " and resid 95 and name HG1%) 3.000 1.100 1.100 peak 155 spectrum 1 weight 0.10000E+01 volume 0.20949E-02 ppm1 0.901 ppm2 3.854 CV 1 OR { 155} (( segid " " and resid 25 and name HA )) ( segid " " and resid 95 and name HG1%) ASSI { 161} (( segid " " and resid 21 and name HA )) ( segid " " and resid 89 and name HD1%) 3.200 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.19897E-02 ppm1 0.903 ppm2 3.880 CV 1 OR { 161} (( segid " " and resid 86 and name HB2 )) ( segid " " and resid 89 and name HD1%) ASSI { 163} (( segid " " and resid 57 and name HB )) ( segid " " and resid 57 and name HG2%) 2.500 0.800 0.800 peak 163 spectrum 1 weight 0.10000E+01 volume 0.41848E-02 ppm1 0.910 ppm2 1.906 CV 1 OR { 163} (( segid " " and resid 4 and name HB3 )) ( segid " " and resid 57 and name HG2%) ASSI { 165} (( segid " " and resid 67 and name HB )) ( segid " " and resid 67 and name HG2%) 2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.76929E-02 ppm1 0.920 ppm2 3.988 CV 1 OR { 165} (( segid " " and resid 57 and name HA )) ( segid " " and resid 57 and name HG2%) ASSI { 185} (( segid " " and resid 8 and name HA )) ( segid " " and resid 9 and name HG2%) 3.200 1.300 1.300 peak 185 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 0.998 ppm2 5.186 CV 1 OR { 185} (( segid " " and resid 40 and name HA )) ( segid " " and resid 18 and name HG2%) ASSI { 188} (( segid " " and resid 9 and name HB )) ( segid " " and resid 9 and name HG2%) 2.200 0.600 0.600 peak 188 spectrum 1 weight 0.10000E+01 volume 0.88957E-02 ppm1 1.010 ppm2 4.146 CV 1 OR { 188} (( segid " " and resid 18 and name HB )) ( segid " " and resid 18 and name HG2%) ASSI { 192} (( segid " " and resid 40 and name HB )) ( segid " " and resid 40 and name HG2%) 2.200 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.93720E-02 ppm1 1.027 ppm2 3.874 CV 1 OR { 192} (( segid " " and resid 79 and name HA )) ( segid " " and resid 79 and name HG2%) ASSI { 209} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB3 )) 2.600 0.900 0.900 peak 209 spectrum 1 weight 0.10000E+01 volume 0.35082E-02 ppm1 1.157 ppm2 3.873 CV 1 OR { 209} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB3 )) ASSI { 217} ( segid " " and resid 100 and name HD2%) (( segid " " and resid 103 and name HG13)) 3.000 3.000 3.000 peak 217 spectrum 1 weight 0.10000E+01 volume 0.23405E-02 ppm1 1.187 ppm2 0.653 CV 1 OR { 217} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 103 and name HG13)) ASSI { 218} (( segid " " and resid 103 and name HG12)) (( segid " " and resid 103 and name HG13)) 1.700 1.700 4.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.20623E-01 ppm1 1.189 ppm2 1.663 CV 1 OR { 218} (( segid " " and resid 37 and name HB3 )) (( segid " " and resid 37 and name HG3 )) ASSI { 225} ( segid " " and resid 103 and name HG2%) (( segid " " and resid 103 and name HG13)) 3.500 3.500 2.500 peak 225 spectrum 1 weight 0.10000E+01 volume 0.14409E-02 ppm1 1.196 ppm2 0.984 CV 1 OR { 225} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 37 and name HG3 )) OR { 225} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 37 and name HG2 )) ASSI { 232} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 50 and name HB3 )) 4.100 4.100 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.56881E-03 ppm1 1.264 ppm2 0.752 CV 1 OR { 232} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 50 and name HB3 )) ASSI { 240} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 7 and name HB% ) 2.100 2.100 3.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.17541E-01 ppm1 1.309 ppm2 0.615 CV 1 OR { 240} ( segid " " and resid 8 and name HG2%) ( segid " " and resid 7 and name HB% ) ASSI { 241} ( segid " " and resid 5 and name HG2%) ( segid " " and resid 7 and name HB% ) 2.400 2.400 3.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.60142E-02 ppm1 1.309 ppm2 0.845 CV 1 OR { 241} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 7 and name HB% ) OR { 241} ( segid " " and resid 38 and name HG1%) ( segid " " and resid 7 and name HB% ) ASSI { 254} (( segid " " and resid 92 and name HA )) ( segid " " and resid 92 and name HB% ) 2.200 0.600 0.600 peak 254 spectrum 1 weight 0.10000E+01 volume 0.11026E-01 ppm1 1.449 ppm2 3.859 CV 1 OR { 254} (( segid " " and resid 25 and name HA )) ( segid " " and resid 92 and name HB% ) ASSI { 255} ( segid " " and resid 96 and name HD1%) ( segid " " and resid 92 and name HB% ) 2.500 2.500 3.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.62649E-02 ppm1 1.449 ppm2 0.726 CV 1 OR { 255} ( segid " " and resid 25 and name HD2%) ( segid " " and resid 92 and name HB% ) ASSI { 261} (( segid " " and resid 101 and name HA )) ( segid " " and resid 101 and name HB% ) 2.000 0.500 0.500 peak 261 spectrum 1 weight 0.10000E+01 volume 0.17817E-01 ppm1 1.466 ppm2 4.116 CV 1 OR { 261} (( segid " " and resid 98 and name HA )) ( segid " " and resid 98 and name HB% ) ASSI { 270} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 78 and name HD3 )) 2.300 2.300 3.700 peak 270 spectrum 1 weight 0.10000E+01 volume 0.35333E-02 ppm1 1.484 ppm2 2.812 CV 1 OR { 270} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 78 and name HD2 )) OR { 270} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 74 and name HG3 )) ASSI { 271} (( segid " " and resid 12 and name HA )) ( segid " " and resid 12 and name HB% ) 2.200 0.600 0.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.95725E-02 ppm1 1.490 ppm2 4.189 CV 1 OR { 271} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HB% ) ASSI { 282} (( segid " " and resid 85 and name HA )) ( segid " " and resid 21 and name HB% ) 3.300 1.400 1.400 peak 282 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 1.538 ppm2 3.337 CV 1 OR { 282} (( segid " " and resid 89 and name HA )) ( segid " " and resid 21 and name HB% ) ASSI { 298} (( segid " " and resid 63 and name HA )) (( segid " " and resid 8 and name HB )) 3.000 1.100 1.100 peak 298 spectrum 1 weight 0.10000E+01 volume 0.15637E-02 ppm1 1.623 ppm2 5.509 CV 1 OR { 298} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HB )) ASSI { 322} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 35 and name HB2 )) 2.100 0.600 0.600 peak 322 spectrum 1 weight 0.10000E+01 volume 0.13582E-01 ppm1 1.750 ppm2 0.859 CV 1 OR { 322} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 35 and name HB2 )) OR { 322} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 81 and name HB2 )) ASSI { 337} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 37 and name HB2 )) 2.500 0.800 0.800 peak 337 spectrum 1 weight 0.10000E+01 volume 0.58886E-02 ppm1 1.783 ppm2 0.964 CV 1 OR { 337} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 37 and name HB2 )) ASSI { 346} (( segid " " and resid 86 and name HA )) (( segid " " and resid 89 and name HB )) 2.900 1.100 1.100 peak 346 spectrum 1 weight 0.10000E+01 volume 0.26061E-02 ppm1 1.870 ppm2 4.046 CV 1 OR { 346} (( segid " " and resid 90 and name HA )) (( segid " " and resid 89 and name HB )) ASSI { 348} (( segid " " and resid 86 and name HB2 )) (( segid " " and resid 89 and name HB )) 3.800 1.800 1.800 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 1.873 ppm2 3.888 CV 1 OR { 348} (( segid " " and resid 21 and name HA )) (( segid " " and resid 89 and name HB )) ASSI { 351} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB3 )) 2.100 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.11677E-01 ppm1 1.886 ppm2 3.996 CV 1 OR { 351} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) ASSI { 355} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 50 and name HB2 )) 3.500 1.600 1.600 peak 355 spectrum 1 weight 0.10000E+01 volume 0.11352E-02 ppm1 1.895 ppm2 0.754 CV 1 OR { 355} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 50 and name HB2 )) ASSI { 365} (( segid " " and resid 29 and name HA )) (( segid " " and resid 32 and name HB3 )) 4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 1.940 ppm2 3.834 CV 1 OR { 365} (( segid " " and resid 33 and name HA2 )) (( segid " " and resid 32 and name HB3 )) ASSI { 380} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.200 0.600 0.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.64403E-02 ppm1 1.999 ppm2 4.023 CV 1 OR { 380} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 397} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.300 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.63900E-02 ppm1 2.051 ppm2 3.886 CV 1 OR { 397} (( segid " " and resid 93 and name HA )) (( segid " " and resid 93 and name HB3 )) ASSI { 408} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 60 and name HB )) 2.900 1.000 1.000 peak 408 spectrum 1 weight 0.10000E+01 volume 0.21776E-02 ppm1 2.092 ppm2 0.847 CV 1 OR { 408} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 60 and name HB )) ASSI { 409} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 82 and name HG3 )) 3.600 1.700 1.700 peak 409 spectrum 1 weight 0.10000E+01 volume 0.32326E-03 ppm1 2.100 ppm2 0.774 CV 1 OR { 409} ( segid " " and resid 83 and name HG2%) (( segid " " and resid 82 and name HG3 )) OR { 409} (( segid " " and resid 81 and name HG )) (( segid " " and resid 82 and name HG3 )) OR { 409} ( segid " " and resid 46 and name HD1%) (( segid " " and resid 47 and name HG3 )) ASSI { 419} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB2 )) 2.900 1.100 1.100 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16564E-02 ppm1 2.113 ppm2 3.874 CV 1 OR { 419} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HB2 )) ASSI { 448} ( segid " " and resid 87 and name HB% ) (( segid " " and resid 83 and name HB )) 2.600 0.800 0.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.45106E-02 ppm1 2.321 ppm2 1.481 CV 1 OR { 448} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 23 and name HG3 )) ASSI { 450} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HB )) 3.300 1.400 1.400 peak 450 spectrum 1 weight 0.10000E+01 volume 0.71166E-03 ppm1 2.322 ppm2 4.960 CV 1 OR { 450} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HG3 )) ASSI { 461} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HG3 )) 3.700 1.700 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.93971E-03 ppm1 2.494 ppm2 4.251 CV 1 OR { 461} (( segid " " and resid 87 and name HA )) (( segid " " and resid 84 and name HB2 )) ASSI { 465} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 54 and name HB3 )) 2.600 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.33829E-02 ppm1 2.527 ppm2 0.966 CV 1 OR { 465} ( segid " " and resid 50 and name HD2%) (( segid " " and resid 54 and name HB3 )) ASSI { 506} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 17 and name HB3 )) 2.700 0.900 0.900 peak 506 spectrum 1 weight 0.10000E+01 volume 0.23956E-02 ppm1 2.978 ppm2 0.877 CV 1 OR { 506} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 17 and name HB3 )) OR { 506} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 17 and name HB3 )) ASSI { 508} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB3 )) 2.500 0.800 0.800 peak 508 spectrum 1 weight 0.10000E+01 volume 0.40094E-02 ppm1 3.005 ppm2 5.492 CV 1 OR { 508} (( segid " " and resid 82 and name HA )) (( segid " " and resid 63 and name HB3 )) ASSI { 513} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 63 and name HB3 )) 2.600 0.800 0.800 peak 513 spectrum 1 weight 0.10000E+01 volume 0.37338E-02 ppm1 3.016 ppm2 0.709 CV 1 OR { 513} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 63 and name HB3 )) ASSI { 520} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 63 and name HB2 )) 3.700 1.700 1.700 peak 520 spectrum 1 weight 0.10000E+01 volume 0.67910E-03 ppm1 3.160 ppm2 0.708 CV 1 OR { 520} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 63 and name HB2 )) ASSI { 521} (( segid " " and resid 82 and name HA )) (( segid " " and resid 63 and name HB2 )) 2.500 0.800 0.800 peak 521 spectrum 1 weight 0.10000E+01 volume 0.46860E-02 ppm1 3.165 ppm2 5.496 CV 1 OR { 521} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB2 )) ASSI { 536} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 78 and name HE2 )) 3.300 1.300 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.99483E-03 ppm1 3.263 ppm2 0.875 CV 1 OR { 536} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 78 and name HE2 )) ASSI { 549} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 69 and name HA )) 3.700 1.700 1.700 peak 549 spectrum 1 weight 0.10000E+01 volume 0.66156E-03 ppm1 3.328 ppm2 0.667 CV 1 OR { 549} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 69 and name HA )) ASSI { 556} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 85 and name HA )) 2.200 0.600 0.600 peak 556 spectrum 1 weight 0.10000E+01 volume 0.11552E-01 ppm1 3.335 ppm2 0.865 CV 1 OR { 556} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 89 and name HA )) OR { 556} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 85 and name HA )) ASSI { 564} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HD2 )) 3.400 1.500 1.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.10224E-02 ppm1 3.458 ppm2 1.870 CV 1 OR { 564} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 88 and name HD2 )) ASSI { 591} (( segid " " and resid 5 and name HB )) (( segid " " and resid 58 and name HA1 )) 3.500 1.600 1.600 peak 591 spectrum 1 weight 0.10000E+01 volume 0.80687E-03 ppm1 3.650 ppm2 1.610 CV 1 OR { 591} (( segid " " and resid 3 and name HG3 )) (( segid " " and resid 58 and name HA1 )) OR { 591} (( segid " " and resid 3 and name HG2 )) (( segid " " and resid 58 and name HA1 )) ASSI { 599} (( segid " " and resid 32 and name HG2 )) (( segid " " and resid 29 and name HA )) 3.300 1.400 1.400 peak 599 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 3.834 ppm2 2.843 CV 1 OR { 599} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 29 and name HA )) ASSI { 604} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 92 and name HA )) 2.300 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.65654E-02 ppm1 3.840 ppm2 1.445 CV 1 OR { 604} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 21 and name HA )) ASSI { 605} (( segid " " and resid 95 and name HB )) (( segid " " and resid 92 and name HA )) 2.400 0.700 0.700 peak 605 spectrum 1 weight 0.10000E+01 volume 0.66407E-02 ppm1 3.842 ppm2 2.129 CV 1 OR { 605} (( segid " " and resid 34 and name HB3 )) (( segid " " and resid 29 and name HA )) OR { 605} (( segid " " and resid 20 and name HB3 )) (( segid " " and resid 21 and name HA )) ASSI { 606} (( segid " " and resid 78 and name HD2 )) (( segid " " and resid 77 and name HA2 )) 3.800 1.800 1.800 peak 606 spectrum 1 weight 0.10000E+01 volume 0.30822E-03 ppm1 3.843 ppm2 1.485 CV 1 OR { 606} (( segid " " and resid 78 and name HD3 )) (( segid " " and resid 77 and name HA2 )) OR { 606} (( segid " " and resid 30 and name HG3 )) (( segid " " and resid 33 and name HA2 )) OR { 606} (( segid " " and resid 30 and name HG2 )) (( segid " " and resid 33 and name HA2 )) OR { 606} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 33 and name HA2 )) OR { 606} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 33 and name HA2 )) ASSI { 609} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 25 and name HA )) 4.100 2.100 1.900 peak 609 spectrum 1 weight 0.10000E+01 volume 0.29068E-03 ppm1 3.849 ppm2 1.879 CV 1 OR { 609} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 25 and name HA )) OR { 609} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 25 and name HA )) ASSI { 610} (( segid " " and resid 32 and name HB3 )) (( segid " " and resid 29 and name HA )) 2.500 0.800 0.800 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10750E-01 ppm1 3.849 ppm2 1.917 CV 1 OR { 610} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 29 and name HA )) ASSI { 611} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 92 and name HA )) 2.700 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.60891E-02 ppm1 3.851 ppm2 0.879 CV 1 OR { 611} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 21 and name HA )) OR { 611} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 21 and name HA )) ASSI { 623} ( segid " " and resid 96 and name HD1%) (( segid " " and resid 93 and name HA )) 2.200 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.99734E-02 ppm1 3.867 ppm2 0.762 CV 1 OR { 623} ( segid " " and resid 36 and name HG2%) (( segid " " and resid 26 and name HA )) ASSI { 631} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 25 and name HA )) 3.200 3.200 2.800 peak 631 spectrum 1 weight 0.10000E+01 volume 0.19396E-02 ppm1 3.872 ppm2 1.019 CV 1 OR { 631} ( segid " " and resid 64 and name HB% ) (( segid " " and resid 25 and name HA )) ASSI { 638} (( segid " " and resid 55 and name HB )) (( segid " " and resid 52 and name HA )) 1.900 0.400 0.400 peak 638 spectrum 1 weight 0.10000E+01 volume 0.22378E-01 ppm1 3.883 ppm2 2.048 CV 1 OR { 638} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) OR { 638} (( segid " " and resid 93 and name HB3 )) (( segid " " and resid 93 and name HA )) ASSI { 639} (( segid " " and resid 52 and name HG2 )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 639 spectrum 1 weight 0.10000E+01 volume 0.16288E-02 ppm1 3.887 ppm2 2.263 CV 1 OR { 639} (( segid " " and resid 93 and name HG3 )) (( segid " " and resid 93 and name HA )) OR { 639} (( segid " " and resid 93 and name HG2 )) (( segid " " and resid 93 and name HA )) ASSI { 640} ( segid " " and resid 22 and name HB% ) (( segid " " and resid 22 and name HA )) 1.800 0.400 0.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.30572E-01 ppm1 3.904 ppm2 1.485 CV 1 OR { 640} ( segid " " and resid 21 and name HB% ) (( segid " " and resid 21 and name HA )) ASSI { 647} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 28 and name HA1 )) 3.000 1.100 1.100 peak 647 spectrum 1 weight 0.10000E+01 volume 0.29570E-02 ppm1 3.913 ppm2 1.450 CV 1 OR { 647} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 28 and name HA1 )) OR { 647} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 28 and name HA1 )) ASSI { 657} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 94 and name HA )) 3.900 1.900 1.900 peak 657 spectrum 1 weight 0.10000E+01 volume 0.13081E-02 ppm1 3.945 ppm2 2.577 CV 1 OR { 657} (( segid " " and resid 91 and name HB3 )) (( segid " " and resid 94 and name HA )) ASSI { 663} (( segid " " and resid 102 and name HG )) (( segid " " and resid 99 and name HA )) 2.200 0.600 0.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.10550E-01 ppm1 3.954 ppm2 0.840 CV 1 OR { 663} (( segid " " and resid 81 and name HG )) (( segid " " and resid 99 and name HA )) OR { 663} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 99 and name HA )) ASSI { 677} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HA )) 2.200 0.600 0.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.97729E-02 ppm1 4.011 ppm2 1.874 CV 1 OR { 677} (( segid " " and resid 89 and name HB )) (( segid " " and resid 86 and name HA )) ASSI { 682} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 42 and name HA2 )) 3.200 1.300 1.300 peak 682 spectrum 1 weight 0.10000E+01 volume 0.17466E-02 ppm1 4.020 ppm2 0.986 CV 1 OR { 682} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 42 and name HA2 )) ASSI { 685} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 88 and name HA )) 3.400 1.500 1.500 peak 685 spectrum 1 weight 0.10000E+01 volume 0.11377E-02 ppm1 4.023 ppm2 1.451 CV 1 OR { 685} ( segid " " and resid 87 and name HB% ) (( segid " " and resid 88 and name HA )) ASSI { 689} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 2.000 0.500 0.500 peak 689 spectrum 1 weight 0.10000E+01 volume 0.14308E-01 ppm1 4.025 ppm2 1.987 CV 1 OR { 689} (( segid " " and resid 31 and name HB3 )) (( segid " " and resid 31 and name HA )) ASSI { 690} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.100 0.500 0.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.13407E-01 ppm1 4.033 ppm2 1.740 CV 1 OR { 690} (( segid " " and resid 90 and name HB3 )) (( segid " " and resid 90 and name HA )) OR { 690} (( segid " " and resid 72 and name HG3 )) (( segid " " and resid 72 and name HA )) OR { 690} (( segid " " and resid 89 and name HG12)) (( segid " " and resid 86 and name HA )) ASSI { 691} (( segid " " and resid 31 and name HG3 )) (( segid " " and resid 31 and name HA )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.67407E-02 ppm1 4.035 ppm2 1.490 CV 1 OR { 691} (( segid " " and resid 31 and name HG2 )) (( segid " " and resid 31 and name HA )) OR { 691} (( segid " " and resid 53 and name HD3 )) (( segid " " and resid 53 and name HA )) OR { 691} (( segid " " and resid 53 and name HD2 )) (( segid " " and resid 53 and name HA )) ASSI { 699} (( segid " " and resid 104 and name HB3 )) (( segid " " and resid 101 and name HA )) 2.900 1.000 1.000 peak 699 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 4.121 ppm2 2.600 CV 1 OR { 699} (( segid " " and resid 97 and name HB3 )) (( segid " " and resid 98 and name HA )) ASSI { 700} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 24 and name HA )) 3.200 1.300 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.11653E-02 ppm1 4.126 ppm2 0.852 CV 1 OR { 700} (( segid " " and resid 102 and name HG )) (( segid " " and resid 101 and name HA )) OR { 700} ( segid " " and resid 81 and name HD2%) (( segid " " and resid 98 and name HA )) OR { 700} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 101 and name HA )) OR { 700} ( segid " " and resid 102 and name HD2%) (( segid " " and resid 98 and name HA )) OR { 700} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 98 and name HA )) ASSI { 707} ( segid " " and resid 101 and name HB% ) (( segid " " and resid 101 and name HA )) 1.700 0.400 0.500 peak 707 spectrum 1 weight 0.10000E+01 volume 0.44855E-01 ppm1 4.133 ppm2 1.467 CV 1 OR { 707} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 98 and name HA )) OR { 707} ( segid " " and resid 43 and name HB% ) (( segid " " and resid 43 and name HA )) OR { 707} ( segid " " and resid 24 and name HB% ) (( segid " " and resid 24 and name HA )) ASSI { 708} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 102 and name HA )) 2.500 0.800 0.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.38340E-02 ppm1 4.143 ppm2 1.491 CV 1 OR { 708} (( segid " " and resid 70 and name HB3 )) (( segid " " and resid 70 and name HA )) ASSI { 709} (( segid " " and resid 30 and name HD3 )) (( segid " " and resid 30 and name HA )) 4.700 2.700 1.300 peak 709 spectrum 1 weight 0.10000E+01 volume 0.16539E-03 ppm1 4.152 ppm2 1.731 CV 1 OR { 709} (( segid " " and resid 30 and name HD2 )) (( segid " " and resid 30 and name HA )) OR { 709} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 73 and name HA )) ASSI { 712} (( segid " " and resid 30 and name HE2 )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 712 spectrum 1 weight 0.10000E+01 volume 0.94971E-03 ppm1 4.168 ppm2 2.993 CV 1 OR { 712} (( segid " " and resid 30 and name HE3 )) (( segid " " and resid 30 and name HA )) OR { 712} (( segid " " and resid 75 and name HB3 )) (( segid " " and resid 73 and name HA )) OR { 712} (( segid " " and resid 72 and name HE3 )) (( segid " " and resid 73 and name HA )) OR { 712} (( segid " " and resid 17 and name HB3 )) (( segid " " and resid 20 and name HA )) ASSI { 713} (( segid " " and resid 73 and name HB3 )) (( segid " " and resid 73 and name HA )) 2.000 0.500 0.500 peak 713 spectrum 1 weight 0.10000E+01 volume 0.20398E-01 ppm1 4.169 ppm2 2.031 CV 1 OR { 713} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) OR { 713} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 714} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 20 and name HA )) 3.300 1.400 1.400 peak 714 spectrum 1 weight 0.10000E+01 volume 0.80189E-03 ppm1 4.176 ppm2 0.903 CV 1 OR { 714} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 716} (( segid " " and resid 20 and name HG3 )) (( segid " " and resid 20 and name HA )) 2.600 0.800 0.800 peak 716 spectrum 1 weight 0.10000E+01 volume 0.34331E-02 ppm1 4.177 ppm2 2.640 CV 1 OR { 716} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) ASSI { 731} ( segid " " and resid 67 and name HG2%) (( segid " " and resid 12 and name HA )) 3.200 1.300 1.300 peak 731 spectrum 1 weight 0.10000E+01 volume 0.12630E-02 ppm1 4.242 ppm2 0.921 CV 1 OR { 731} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 48 and name HA )) ASSI { 743} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 75 and name HA )) 2.500 0.800 0.800 peak 743 spectrum 1 weight 0.10000E+01 volume 0.49616E-02 ppm1 4.303 ppm2 0.881 CV 1 OR { 743} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 75 and name HA )) OR { 743} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 2 and name HA )) OR { 743} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 2 and name HA )) OR { 743} ( segid " " and resid 89 and name HG2%) (( segid " " and resid 87 and name HA )) OR { 743} ( segid " " and resid 85 and name HG1%) (( segid " " and resid 87 and name HA )) ASSI { 745} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HA )) 2.600 0.800 0.800 peak 745 spectrum 1 weight 0.10000E+01 volume 0.34832E-02 ppm1 4.304 ppm2 3.251 CV 1 OR { 745} (( segid " " and resid 78 and name HE2 )) (( segid " " and resid 75 and name HA )) ASSI { 747} ( segid " " and resid 87 and name HB% ) (( segid " " and resid 87 and name HA )) 1.900 0.500 0.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.20924E-01 ppm1 4.307 ppm2 1.490 CV 1 OR { 747} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 2 and name HA )) OR { 747} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 2 and name HA )) ASSI { 756} ( segid " " and resid 18 and name HG2%) (( segid " " and resid 19 and name HA )) 2.800 0.900 0.900 peak 756 spectrum 1 weight 0.10000E+01 volume 0.29570E-02 ppm1 4.361 ppm2 1.015 CV 1 OR { 756} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 19 and name HA )) ASSI { 764} ( segid " " and resid 89 and name HD1%) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.26813E-02 ppm1 4.414 ppm2 0.892 CV 1 OR { 764} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 17 and name HA )) ASSI { 765} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HA )) 3.300 1.300 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 4.416 ppm2 1.481 CV 1 OR { 765} (( segid " " and resid 102 and name HB3 )) (( segid " " and resid 103 and name HA )) OR { 765} ( segid " " and resid 43 and name HB% ) (( segid " " and resid 44 and name HA )) ASSI { 771} ( segid " " and resid 95 and name HG1%) (( segid " " and resid 88 and name HD3 )) 2.900 1.100 1.100 peak 771 spectrum 1 weight 0.10000E+01 volume 0.21074E-02 ppm1 4.424 ppm2 0.869 CV 1 OR { 771} ( segid " " and resid 95 and name HG2%) (( segid " " and resid 88 and name HD3 )) OR { 771} ( segid " " and resid 83 and name HG1%) (( segid " " and resid 88 and name HD3 )) OR { 771} ( segid " " and resid 85 and name HG2%) (( segid " " and resid 88 and name HD3 )) ASSI { 772} (( segid " " and resid 88 and name HB2 )) (( segid " " and resid 88 and name HD3 )) 2.900 1.100 1.100 peak 772 spectrum 1 weight 0.10000E+01 volume 0.46609E-02 ppm1 4.425 ppm2 1.882 CV 1 OR { 772} (( segid " " and resid 84 and name HB3 )) (( segid " " and resid 88 and name HD3 )) ASSI { 775} (( segid " " and resid 56 and name HB3 )) (( segid " " and resid 56 and name HA )) 2.000 0.500 0.500 peak 775 spectrum 1 weight 0.10000E+01 volume 0.20749E-01 ppm1 4.427 ppm2 2.802 CV 1 OR { 775} (( segid " " and resid 97 and name HB2 )) (( segid " " and resid 97 and name HA )) ASSI { 780} (( segid " " and resid 79 and name HB )) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 780 spectrum 1 weight 0.10000E+01 volume 0.15060E-02 ppm1 4.427 ppm2 1.953 CV 1 OR { 780} (( segid " " and resid 59 and name HB3 )) (( segid " " and resid 60 and name HA )) ASSI { 781} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.700 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.39342E-02 ppm1 4.427 ppm2 0.671 CV 1 OR { 781} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HA )) ASSI { 782} (( segid " " and resid 100 and name HB3 )) (( segid " " and resid 97 and name HA )) 3.200 1.300 1.300 peak 782 spectrum 1 weight 0.10000E+01 volume 0.23254E-02 ppm1 4.437 ppm2 1.468 CV 1 OR { 782} (( segid " " and resid 78 and name HD2 )) (( segid " " and resid 56 and name HA )) OR { 782} ( segid " " and resid 98 and name HB% ) (( segid " " and resid 97 and name HA )) ASSI { 783} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.65403E-02 ppm1 4.437 ppm2 0.826 CV 1 OR { 783} (( segid " " and resid 100 and name HG )) (( segid " " and resid 97 and name HA )) ASSI { 789} ( segid " " and resid 103 and name HD1%) (( segid " " and resid 103 and name HA )) 2.500 2.500 3.500 peak 789 spectrum 1 weight 0.10000E+01 volume 0.28066E-02 ppm1 4.454 ppm2 0.845 CV 1 OR { 789} ( segid " " and resid 79 and name HG1%) (( segid " " and resid 103 and name HA )) OR { 789} (( segid " " and resid 102 and name HG )) (( segid " " and resid 103 and name HA )) ASSI { 798} ( segid " " and resid 92 and name HB% ) (( segid " " and resid 91 and name HA )) 4.100 2.100 1.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.51118E-03 ppm1 4.540 ppm2 1.461 CV 1 OR { 798} (( segid " " and resid 94 and name HG2 )) (( segid " " and resid 91 and name HA )) OR { 798} (( segid " " and resid 90 and name HG3 )) (( segid " " and resid 91 and name HA )) ASSI { 806} (( segid " " and resid 78 and name HE2 )) (( segid " " and resid 78 and name HA )) 3.000 3.000 3.000 peak 806 spectrum 1 weight 0.10000E+01 volume 0.98483E-03 ppm1 4.555 ppm2 3.258 CV 1 OR { 806} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 78 and name HA )) ASSI { 812} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HA )) 3.600 1.600 1.600 peak 812 spectrum 1 weight 0.10000E+01 volume 0.13632E-02 ppm1 4.605 ppm2 0.821 CV 1 OR { 812} (( segid " " and resid 36 and name HG13)) (( segid " " and resid 37 and name HA )) OR { 812} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 37 and name HA )) ASSI { 824} ( segid " " and resid 35 and name HD2%) (( segid " " and resid 3 and name HA )) 3.200 3.200 2.800 peak 824 spectrum 1 weight 0.10000E+01 volume 0.67156E-03 ppm1 4.678 ppm2 0.859 CV 1 OR { 824} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 3 and name HA )) OR { 824} ( segid " " and resid 5 and name HG2%) (( segid " " and resid 3 and name HA )) ASSI { 837} ( segid " " and resid 79 and name HG2%) (( segid " " and resid 80 and name HA )) 3.300 1.300 1.300 peak 837 spectrum 1 weight 0.10000E+01 volume 0.12279E-02 ppm1 4.710 ppm2 0.997 CV 1 OR { 837} ( segid " " and resid 60 and name HG1%) (( segid " " and resid 80 and name HA )) ASSI { 845} ( segid " " and resid 57 and name HG2%) (( segid " " and resid 4 and name HA )) 3.700 1.700 1.700 peak 845 spectrum 1 weight 0.10000E+01 volume 0.10474E-02 ppm1 4.791 ppm2 0.884 CV 1 OR { 845} (( segid " " and resid 5 and name HG12)) (( segid " " and resid 4 and name HA )) OR { 845} ( segid " " and resid 35 and name HD1%) (( segid " " and resid 4 and name HA )) ASSI { 848} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HA )) 2.400 0.700 0.700 peak 848 spectrum 1 weight 0.10000E+01 volume 0.60891E-02 ppm1 4.792 ppm2 1.453 CV 1 OR { 848} (( segid " " and resid 5 and name HG13)) (( segid " " and resid 4 and name HA )) ASSI { 849} (( segid " " and resid 41 and name HG3 )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 849 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 4.801 ppm2 2.357 CV 1 OR { 849} (( segid " " and resid 39 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 851} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.600 1.600 1.600 peak 851 spectrum 1 weight 0.10000E+01 volume 0.10499E-02 ppm1 4.805 ppm2 2.159 CV 1 OR { 851} (( segid " " and resid 47 and name HG3 )) (( segid " " and resid 46 and name HA )) ASSI { 855} (( segid " " and resid 81 and name HB2 )) (( segid " " and resid 62 and name HA )) 2.900 1.100 1.100 peak 855 spectrum 1 weight 0.10000E+01 volume 0.30822E-02 ppm1 4.838 ppm2 1.756 CV 1 OR { 855} (( segid " " and resid 61 and name HB )) (( segid " " and resid 62 and name HA )) ASSI { 874} (( segid " " and resid 6 and name HA )) (( segid " " and resid 61 and name HA )) 3.600 3.600 2.400 peak 874 spectrum 1 weight 0.10000E+01 volume 0.74924E-03 ppm1 4.979 ppm2 5.458 CV 1 OR { 874} (( segid " " and resid 63 and name HA )) (( segid " " and resid 61 and name HA )) ASSI { 876} (( segid " " and resid 81 and name HB3 )) (( segid " " and resid 61 and name HA )) 2.600 2.600 3.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 4.982 ppm2 1.126 CV 1 OR { 876} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 61 and name HA )) ASSI { 886} ( segid " " and resid 40 and name HG2%) (( segid " " and resid 39 and name HA )) 3.900 1.900 1.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.56881E-03 ppm1 5.039 ppm2 1.005 CV 1 OR { 886} ( segid " " and resid 9 and name HG2%) (( segid " " and resid 39 and name HA )) ASSI { 890} ( segid " " and resid 38 and name HG1%) (( segid " " and resid 39 and name HA )) 6.000 5.500 0.000 peak 890 spectrum 1 weight 0.10000E+01 volume 0.22052E-04 ppm1 5.041 ppm2 0.864 CV 1 OR { 890} ( segid " " and resid 46 and name HG2%) (( segid " " and resid 39 and name HA )) ASSI { 897} ( segid " " and resid 8 and name HG2%) (( segid " " and resid 40 and name HA )) 3.100 3.100 2.900 peak 897 spectrum 1 weight 0.10000E+01 volume 0.13958E-02 ppm1 5.194 ppm2 0.667 CV 1 OR { 897} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 40 and name HA )) ASSI { 903} (( segid " " and resid 2 and name HG2 )) (( segid " " and resid 34 and name HA )) 2.900 1.100 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.23480E-02 ppm1 5.221 ppm2 1.528 CV 1 OR { 903} (( segid " " and resid 35 and name HG )) (( segid " " and resid 34 and name HA )) OR { 903} (( segid " " and resid 2 and name HG3 )) (( segid " " and resid 34 and name HA )) ASSI { 913} (( segid " " and resid 36 and name HG12)) (( segid " " and resid 6 and name HA )) 4.400 2.400 1.600 peak 913 spectrum 1 weight 0.10000E+01 volume 0.28567E-03 ppm1 5.462 ppm2 1.280 CV 1 OR { 913} ( segid " " and resid 7 and name HB% ) (( segid " " and resid 6 and name HA )) ASSI { 914} ( segid " " and resid 6 and name HD1%) (( segid " " and resid 6 and name HA )) 2.700 0.900 0.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.64151E-02 ppm1 5.462 ppm2 1.115 CV 1 OR { 914} ( segid " " and resid 50 and name HD1%) (( segid " " and resid 6 and name HA )) ASSI { 925} ( segid " " and resid 62 and name HG2%) (( segid " " and resid 63 and name HA )) 2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.40595E-02 ppm1 5.513 ppm2 0.689 CV 1 OR { 925} ( segid " " and resid 65 and name HG1%) (( segid " " and resid 63 and name HA )) ASSI { 936} ( segid " " and resid 8 and name HG1%) (( segid " " and resid 7 and name HA )) 3.000 1.200 1.200 peak 936 spectrum 1 weight 0.10000E+01 volume 0.32326E-02 ppm1 5.795 ppm2 0.727 CV 1 OR { 936} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 7 and name HA )) OR { 936} ( segid " " and resid 25 and name HD2%) (( segid " " and resid 7 and name HA )) ASSI { 940} (( segid " " and resid 62 and name HB )) (( segid " " and resid 7 and name HA )) 5.300 3.500 0.700 peak 940 spectrum 1 weight 0.10000E+01 volume 0.68663E-04 ppm1 5.797 ppm2 1.573 CV 1 OR { 940} (( segid " " and resid 6 and name HG12)) (( segid " " and resid 7 and name HA )) OR { 940} (( segid " " and resid 8 and name HB )) (( segid " " and resid 7 and name HA ))
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