NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
11114 | 1qxn | 4776 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
! NOE derived distance restraints ! unambiguous distance restraints obtained after interative NOE assignment ASSI { 2} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 110 and name HA )) 2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 7.790 ppm2 4.555 CV 1 ASSI { 2} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 110 and name HA )) 2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.15822E-02 ppm1 7.790 ppm2 4.555 CV 1 ASSI { 4} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 40 and name HN )) 3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.63347E-03 ppm1 7.238 ppm2 7.736 CV 1 ASSI { 4} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 40 and name HN )) 3.600 1.600 1.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.63347E-03 ppm1 7.238 ppm2 7.736 CV 1 ASSI { 5} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 128 and name HN )) 2.500 0.800 0.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.25103E-02 ppm1 8.331 ppm2 9.034 CV 1 ASSI { 5} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 128 and name HN )) 2.500 0.800 0.800 peak 5 spectrum 1 weight 0.10000E+01 volume 0.25103E-02 ppm1 8.331 ppm2 9.034 CV 1 ASSI { 6} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 61 and name HD21)) 4.300 2.400 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.59174E-03 ppm1 8.515 ppm2 6.481 CV 1 ASSI { 6} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 61 and name HD21)) 4.300 2.400 1.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.59174E-03 ppm1 8.515 ppm2 6.481 CV 1 ASSI { 7} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 111 and name HA )) 3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.20306E-02 ppm1 7.682 ppm2 5.766 CV 1 ASSI { 7} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 111 and name HA )) 3.000 1.100 1.100 peak 7 spectrum 1 weight 0.10000E+01 volume 0.20306E-02 ppm1 7.682 ppm2 5.766 CV 1 ASSI { 9} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 24 and name HA )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17599E-02 ppm1 8.818 ppm2 5.225 CV 1 ASSI { 9} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 24 and name HA )) 3.000 1.100 1.100 peak 9 spectrum 1 weight 0.10000E+01 volume 0.17599E-02 ppm1 8.818 ppm2 5.225 CV 1 ASSI { 10} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 25 and name HN )) 2.900 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 8.818 ppm2 8.926 CV 1 ASSI { 10} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 25 and name HN )) 2.900 1.000 1.000 peak 10 spectrum 1 weight 0.10000E+01 volume 0.19198E-02 ppm1 8.818 ppm2 8.926 CV 1 ASSI { 11} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 112 and name HD22)) 2.800 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 7.584 ppm2 6.416 CV 1 ASSI { 11} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 112 and name HD22)) 2.800 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.19157E-02 ppm1 7.584 ppm2 6.416 CV 1 ASSI { 14} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 42 and name HA )) 2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19466E-02 ppm1 8.764 ppm2 5.031 CV 1 ASSI { 14} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 42 and name HA )) 2.800 1.000 1.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19466E-02 ppm1 8.764 ppm2 5.031 CV 1 ASSI { 17} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 112 and name HA )) 2.900 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 9.142 ppm2 5.399 CV 1 ASSI { 17} (( segid "B " and resid 87 and name HN )) (( segid "B " and resid 112 and name HA )) 2.900 1.000 1.000 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 9.142 ppm2 5.399 CV 1 ASSI { 18} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 128 and name HN )) 4.300 2.300 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.66079E-03 ppm1 8.017 ppm2 9.034 CV 1 ASSI { 18} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 128 and name HN )) 4.300 2.300 1.700 peak 18 spectrum 1 weight 0.10000E+01 volume 0.66079E-03 ppm1 8.017 ppm2 9.034 CV 1 ASSI { 20} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 85 and name HA )) 2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.24264E-02 ppm1 7.151 ppm2 5.269 CV 1 ASSI { 20} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 85 and name HA )) 2.900 1.000 1.000 peak 20 spectrum 1 weight 0.10000E+01 volume 0.24264E-02 ppm1 7.151 ppm2 5.269 CV 1 ASSI { 22} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 114 and name HN )) 3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.98016E-03 ppm1 8.926 ppm2 9.965 CV 1 ASSI { 22} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 114 and name HN )) 3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.98016E-03 ppm1 8.926 ppm2 9.965 CV 1 ASSI { 26} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 87 and name HA )) 2.900 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 9.175 ppm2 4.922 CV 1 ASSI { 26} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 87 and name HA )) 2.900 1.000 1.000 peak 26 spectrum 1 weight 0.10000E+01 volume 0.14887E-02 ppm1 9.175 ppm2 4.922 CV 1 ASSI { 27} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 65 and name HN )) 3.600 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.98401E-03 ppm1 8.428 ppm2 7.974 CV 1 ASSI { 27} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 65 and name HN )) 3.600 1.600 1.600 peak 27 spectrum 1 weight 0.10000E+01 volume 0.98401E-03 ppm1 8.428 ppm2 7.974 CV 1 ASSI { 28} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 64 and name HA )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.19102E-02 ppm1 8.428 ppm2 5.031 CV 1 ASSI { 28} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 64 and name HA )) 2.800 1.000 1.000 peak 28 spectrum 1 weight 0.10000E+01 volume 0.19102E-02 ppm1 8.428 ppm2 5.031 CV 1 ASSI { 29} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 43 and name HA )) 2.700 0.900 0.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.24168E-02 ppm1 8.482 ppm2 4.403 CV 1 ASSI { 29} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 43 and name HA )) 2.700 0.900 0.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.24168E-02 ppm1 8.482 ppm2 4.403 CV 1 ASSI { 30} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 62 and name HA )) 5.600 4.000 0.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.493 ppm2 4.858 CV 1 ASSI { 30} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 62 and name HA )) 5.600 4.000 0.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.493 ppm2 4.858 CV 1 ASSI { 31} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 58 and name HN )) 3.500 1.500 1.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 9.824 ppm2 8.017 CV 1 ASSI { 31} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 58 and name HN )) 3.500 1.500 1.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 9.824 ppm2 8.017 CV 1 ASSI { 33} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 45 and name HA )) 3.400 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.83438E-03 ppm1 7.985 ppm2 5.615 CV 1 ASSI { 33} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 45 and name HA )) 3.400 1.400 1.400 peak 33 spectrum 1 weight 0.10000E+01 volume 0.83438E-03 ppm1 7.985 ppm2 5.615 CV 1 ASSI { 35} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 107 and name HN )) 2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.36757E-02 ppm1 7.811 ppm2 8.342 CV 1 ASSI { 35} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 107 and name HN )) 2.800 1.000 1.000 peak 35 spectrum 1 weight 0.10000E+01 volume 0.36757E-02 ppm1 7.811 ppm2 8.342 CV 1 ASSI { 37} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 105 and name HN )) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.47331E-02 ppm1 7.811 ppm2 8.104 CV 1 ASSI { 37} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 105 and name HN )) 2.400 0.700 0.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.47331E-02 ppm1 7.811 ppm2 8.104 CV 1 ASSI { 38} (( segid "A " and resid 106 and name HN )) ( segid "A " and resid 110 and name HD1%) 4.600 2.700 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58765E-03 ppm1 7.811 ppm2 0.746 CV 1 ASSI { 38} (( segid "B " and resid 106 and name HN )) ( segid "B " and resid 110 and name HD1%) 4.600 2.700 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.58765E-03 ppm1 7.811 ppm2 0.746 CV 1 ASSI { 39} (( segid "A " and resid 106 and name HN )) ( segid "A " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.24864E-02 ppm1 7.811 ppm2 7.584 CV 1 ASSI { 39} (( segid "B " and resid 106 and name HN )) ( segid "B " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.24864E-02 ppm1 7.811 ppm2 7.584 CV 1 ASSI { 40} (( segid "A " and resid 106 and name HN )) ( segid "A " and resid 105 and name HD% ) 4.300 2.300 1.700 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 7.811 ppm2 7.433 CV 1 ASSI { 40} (( segid "B " and resid 106 and name HN )) ( segid "B " and resid 105 and name HD% ) 4.200 2.300 1.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.10787E-02 ppm1 7.811 ppm2 7.433 CV 1 ASSI { 41} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 103 and name HA )) 3.000 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.12914E-02 ppm1 7.811 ppm2 4.555 CV 1 ASSI { 41} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 103 and name HA )) 3.000 1.100 1.100 peak 41 spectrum 1 weight 0.10000E+01 volume 0.12914E-02 ppm1 7.811 ppm2 4.555 CV 1 ASSI { 43} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 104 and name HA )) 4.200 2.200 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.95162E-03 ppm1 7.811 ppm2 4.143 CV 1 ASSI { 43} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 104 and name HA )) 4.200 2.200 1.800 peak 43 spectrum 1 weight 0.10000E+01 volume 0.95162E-03 ppm1 7.811 ppm2 4.143 CV 1 ASSI { 44} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 106 and name HA1 )) 2.500 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.54907E-02 ppm1 7.811 ppm2 3.689 CV 1 ASSI { 44} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 106 and name HA1 )) 2.500 0.800 0.800 peak 44 spectrum 1 weight 0.10000E+01 volume 0.54907E-02 ppm1 7.811 ppm2 3.689 CV 1 ASSI { 45} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 107 and name HB3 )) 5.600 4.000 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.41000E-03 ppm1 7.811 ppm2 2.953 CV 1 ASSI { 45} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 107 and name HB3 )) 5.600 4.000 0.400 peak 45 spectrum 1 weight 0.10000E+01 volume 0.41000E-03 ppm1 7.811 ppm2 2.953 CV 1 ASSI { 47} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 107 and name HA )) 3.900 1.900 1.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.74592E-03 ppm1 7.811 ppm2 4.706 CV 1 ASSI { 47} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 107 and name HA )) 3.900 1.900 1.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.74592E-03 ppm1 7.811 ppm2 4.706 CV 1 ASSI { 48} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 107 and name HB2 )) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.80801E-03 ppm1 7.811 ppm2 2.672 CV 1 ASSI { 48} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 107 and name HB2 )) 3.800 1.800 1.800 peak 48 spectrum 1 weight 0.10000E+01 volume 0.80801E-03 ppm1 7.811 ppm2 2.672 CV 1 ASSI { 49} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 105 and name HB2 )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.56320E-03 ppm1 7.822 ppm2 3.083 CV 1 ASSI { 49} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 105 and name HB2 )) 3.400 1.400 1.400 peak 49 spectrum 1 weight 0.10000E+01 volume 0.56320E-03 ppm1 7.822 ppm2 3.083 CV 1 ASSI { 52} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HN )) 3.400 1.400 1.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.46827E-03 ppm1 8.731 ppm2 8.320 CV 1 ASSI { 52} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 67 and name HN )) 3.400 1.400 1.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.46827E-03 ppm1 8.731 ppm2 8.320 CV 1 ASSI { 53} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 69 and name HN )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 8.731 ppm2 7.260 CV 1 ASSI { 53} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 69 and name HN )) 2.700 0.900 0.900 peak 53 spectrum 1 weight 0.10000E+01 volume 0.18014E-02 ppm1 8.731 ppm2 7.260 CV 1 ASSI { 54} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HA2 )) 2.500 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 8.731 ppm2 4.122 CV 1 ASSI { 54} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 68 and name HA2 )) 2.500 0.800 0.800 peak 54 spectrum 1 weight 0.10000E+01 volume 0.33305E-02 ppm1 8.731 ppm2 4.122 CV 1 ASSI { 57} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HA1 )) 3.100 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 8.731 ppm2 3.624 CV 1 ASSI { 57} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 68 and name HA1 )) 3.100 1.200 1.200 peak 57 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 8.731 ppm2 3.624 CV 1 ASSI { 61} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 115 and name HA2 )) 3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.53637E-03 ppm1 8.017 ppm2 4.078 CV 1 ASSI { 61} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 115 and name HA2 )) 3.500 1.500 1.500 peak 61 spectrum 1 weight 0.10000E+01 volume 0.53637E-03 ppm1 8.017 ppm2 4.078 CV 1 ASSI { 62} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 114 and name HA )) 4.000 2.000 2.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 8.017 ppm2 3.862 CV 1 ASSI { 62} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 114 and name HA )) 4.000 2.000 2.000 peak 62 spectrum 1 weight 0.10000E+01 volume 0.10974E-02 ppm1 8.017 ppm2 3.862 CV 1 ASSI { 63} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 115 and name HA1 )) 4.300 2.300 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.89433E-03 ppm1 8.017 ppm2 3.754 CV 1 ASSI { 63} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 115 and name HA1 )) 4.300 2.300 1.700 peak 63 spectrum 1 weight 0.10000E+01 volume 0.89433E-03 ppm1 8.017 ppm2 3.754 CV 1 ASSI { 64} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 116 and name HA2 )) 3.000 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.26974E-02 ppm1 8.017 ppm2 3.429 CV 1 ASSI { 64} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 116 and name HA2 )) 3.000 1.200 1.200 peak 64 spectrum 1 weight 0.10000E+01 volume 0.26974E-02 ppm1 8.017 ppm2 3.429 CV 1 ASSI { 65} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 116 and name HA1 )) 2.600 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 8.017 ppm2 3.126 CV 1 ASSI { 65} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 116 and name HA1 )) 2.600 0.800 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.31672E-02 ppm1 8.017 ppm2 3.126 CV 1 ASSI { 66} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 115 and name HN )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.017 ppm2 8.536 CV 1 ASSI { 66} (( segid "B " and resid 116 and name HN )) (( segid "B " and resid 115 and name HN )) 3.100 1.200 1.200 peak 66 spectrum 1 weight 0.10000E+01 volume 0.12103E-02 ppm1 8.017 ppm2 8.536 CV 1 ASSI { 67} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HB3 )) 3.900 1.900 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 7.530 ppm2 2.088 CV 1 ASSI { 67} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HB3 )) 3.900 1.900 1.900 peak 67 spectrum 1 weight 0.10000E+01 volume 0.11065E-02 ppm1 7.530 ppm2 2.088 CV 1 ASSI { 68} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 121 and name HG )) 4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.92980E-03 ppm1 7.530 ppm2 1.785 CV 1 ASSI { 68} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 121 and name HG )) 4.000 2.000 2.000 peak 68 spectrum 1 weight 0.10000E+01 volume 0.92980E-03 ppm1 7.530 ppm2 1.785 CV 1 ASSI { 69} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HN )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.76484E-02 ppm1 7.530 ppm2 8.298 CV 1 ASSI { 69} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HN )) 2.200 0.600 0.600 peak 69 spectrum 1 weight 0.10000E+01 volume 0.76484E-02 ppm1 7.530 ppm2 8.298 CV 1 ASSI { 70} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HA2 )) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.50231E-02 ppm1 7.530 ppm2 4.317 CV 1 ASSI { 70} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 55 and name HA2 )) 2.700 0.900 0.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.50231E-02 ppm1 7.530 ppm2 4.317 CV 1 ASSI { 71} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 55 and name HA1 )) 2.200 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.73176E-02 ppm1 7.530 ppm2 3.754 CV 1 ASSI { 71} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 55 and name HA1 )) 2.200 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.73176E-02 ppm1 7.530 ppm2 3.754 CV 1 ASSI { 72} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HG2 )) 5.100 3.300 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.49583E-03 ppm1 7.541 ppm2 2.520 CV 1 ASSI { 72} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HG2 )) 5.100 3.300 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.49583E-03 ppm1 7.541 ppm2 2.520 CV 1 ASSI { 74} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HG3 )) 4.300 2.400 1.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.68286E-03 ppm1 7.541 ppm2 2.802 CV 1 ASSI { 74} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HG3 )) 4.300 2.400 1.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.68286E-03 ppm1 7.541 ppm2 2.802 CV 1 ASSI { 75} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HB2 )) 3.300 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.83557E-03 ppm1 7.530 ppm2 1.958 CV 1 ASSI { 75} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HB2 )) 3.300 1.300 1.300 peak 75 spectrum 1 weight 0.10000E+01 volume 0.83557E-03 ppm1 7.530 ppm2 1.958 CV 1 ASSI { 76} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 54 and name HA )) 3.300 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 7.530 ppm2 4.684 CV 1 ASSI { 76} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 54 and name HA )) 3.300 1.400 1.400 peak 76 spectrum 1 weight 0.10000E+01 volume 0.17778E-02 ppm1 7.530 ppm2 4.684 CV 1 ASSI { 77} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 100 and name HB3 )) 3.700 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 8.850 ppm2 2.174 CV 1 ASSI { 77} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 100 and name HB3 )) 3.700 1.800 1.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.19001E-02 ppm1 8.850 ppm2 2.174 CV 1 ASSI { 79} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 98 and name HB% ) 3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 8.850 ppm2 1.330 CV 1 ASSI { 79} (( segid "B " and resid 99 and name HN )) ( segid "B " and resid 98 and name HB% ) 3.000 1.100 1.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.26278E-02 ppm1 8.850 ppm2 1.330 CV 1 ASSI { 82} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 98 and name HA )) 3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.62434E-03 ppm1 8.850 ppm2 4.446 CV 1 ASSI { 82} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 98 and name HA )) 3.600 1.600 1.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.62434E-03 ppm1 8.850 ppm2 4.446 CV 1 ASSI { 84} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HA2 )) 2.300 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.66631E-02 ppm1 8.850 ppm2 3.537 CV 1 OR { 84} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HA1 )) ASSI { 84} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 99 and name HA2 )) 2.300 0.600 0.600 peak 84 spectrum 1 weight 0.10000E+01 volume 0.66631E-02 ppm1 8.850 ppm2 3.537 CV 1 OR { 84} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 99 and name HA1 )) ASSI { 85} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 95 and name HA )) 3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 8.861 ppm2 3.689 CV 1 ASSI { 85} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 95 and name HA )) 3.600 1.600 1.600 peak 85 spectrum 1 weight 0.10000E+01 volume 0.10010E-02 ppm1 8.861 ppm2 3.689 CV 1 ASSI { 88} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HB3 )) 2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22059E-02 ppm1 9.975 ppm2 2.001 CV 1 ASSI { 88} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 114 and name HB3 )) 2.900 1.000 1.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.22059E-02 ppm1 9.975 ppm2 2.001 CV 1 ASSI { 90} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HG2 )) 6.000 6.000 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.975 ppm2 2.109 CV 1 ASSI { 90} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 114 and name HG2 )) 6.000 6.000 0.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.975 ppm2 2.109 CV 1 ASSI { 92} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HA )) 3.200 1.300 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 9.975 ppm2 3.862 CV 1 ASSI { 92} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 114 and name HA )) 3.200 1.300 1.300 peak 92 spectrum 1 weight 0.10000E+01 volume 0.12501E-02 ppm1 9.975 ppm2 3.862 CV 1 ASSI { 93} (( segid "A " and resid 124 and name HN )) ( segid "A " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 7.790 ppm2 -0.206 CV 1 ASSI { 93} (( segid "B " and resid 124 and name HN )) ( segid "B " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.10703E-02 ppm1 7.790 ppm2 -0.206 CV 1 ASSI { 95} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HB3 )) 3.600 1.600 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10883E-02 ppm1 7.779 ppm2 2.066 CV 1 ASSI { 95} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 123 and name HB3 )) 3.600 1.600 1.600 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10883E-02 ppm1 7.779 ppm2 2.066 CV 1 ASSI { 96} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HB2 )) 4.000 2.000 2.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 7.779 ppm2 1.763 CV 1 ASSI { 96} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 123 and name HB2 )) 4.000 2.000 2.000 peak 96 spectrum 1 weight 0.10000E+01 volume 0.10864E-02 ppm1 7.779 ppm2 1.763 CV 1 ASSI { 99} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HG )) 4.400 2.400 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.49391E-03 ppm1 7.779 ppm2 0.681 CV 1 ASSI { 99} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 125 and name HG )) 4.400 2.400 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.49391E-03 ppm1 7.779 ppm2 0.681 CV 1 ASSI { 100} (( segid "A " and resid 124 and name HN )) ( segid "A " and resid 125 and name HD2%) 4.900 3.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.45939E-03 ppm1 7.779 ppm2 0.118 CV 1 ASSI { 100} (( segid "B " and resid 124 and name HN )) ( segid "B " and resid 125 and name HD2%) 4.900 3.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.45939E-03 ppm1 7.779 ppm2 0.118 CV 1 ASSI { 101} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HN )) 2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.35078E-02 ppm1 7.779 ppm2 7.324 CV 1 ASSI { 101} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 125 and name HN )) 2.700 0.900 0.900 peak 101 spectrum 1 weight 0.10000E+01 volume 0.35078E-02 ppm1 7.779 ppm2 7.324 CV 1 ASSI { 102} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HA )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.34382E-02 ppm1 7.779 ppm2 4.252 CV 1 ASSI { 102} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 123 and name HA )) 2.700 0.900 0.900 peak 102 spectrum 1 weight 0.10000E+01 volume 0.34382E-02 ppm1 7.779 ppm2 4.252 CV 1 ASSI { 103} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 122 and name HA )) 3.100 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.17678E-02 ppm1 7.779 ppm2 3.992 CV 1 ASSI { 103} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 122 and name HA )) 3.100 1.200 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.17678E-02 ppm1 7.779 ppm2 3.992 CV 1 ASSI { 104} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HA2 )) 2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.71906E-02 ppm1 7.779 ppm2 3.840 CV 1 ASSI { 104} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 124 and name HA2 )) 2.700 0.900 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.71906E-02 ppm1 7.779 ppm2 3.840 CV 1 ASSI { 105} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HA1 )) 2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.74424E-02 ppm1 7.779 ppm2 3.711 CV 1 ASSI { 105} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 124 and name HA1 )) 2.300 0.700 0.700 peak 105 spectrum 1 weight 0.10000E+01 volume 0.74424E-02 ppm1 7.779 ppm2 3.711 CV 1 ASSI { 106} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HB3 )) 3.800 1.800 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.90464E-03 ppm1 8.623 ppm2 1.676 CV 1 OR { 106} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HB2 )) ASSI { 106} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 3 and name HB3 )) 3.800 1.800 1.800 peak 106 spectrum 1 weight 0.10000E+01 volume 0.90464E-03 ppm1 8.623 ppm2 1.676 CV 1 OR { 106} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 3 and name HB2 )) ASSI { 107} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 5 and name HN )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 8.623 ppm2 8.190 CV 1 ASSI { 107} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 5 and name HN )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.12655E-02 ppm1 8.623 ppm2 8.190 CV 1 ASSI { 108} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 4 and name HA2 )) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 8.623 ppm2 4.252 CV 1 ASSI { 108} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 4 and name HA2 )) 2.500 0.800 0.800 peak 108 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 8.623 ppm2 4.252 CV 1 ASSI { 109} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 4 and name HA1 )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 8.623 ppm2 3.970 CV 1 ASSI { 109} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 4 and name HA1 )) 3.000 1.100 1.100 peak 109 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 8.623 ppm2 3.970 CV 1 ASSI { 110} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 5 and name HB2 )) 4.700 2.700 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.58933E-03 ppm1 8.634 ppm2 2.066 CV 1 OR { 110} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 5 and name HB3 )) ASSI { 110} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 5 and name HB2 )) 4.700 2.700 1.300 peak 110 spectrum 1 weight 0.10000E+01 volume 0.58933E-03 ppm1 8.634 ppm2 2.066 CV 1 OR { 110} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 5 and name HB3 )) ASSI { 112} (( segid "A " and resid 4 and name HN )) (( segid "B " and resid 75 and name HA )) 5.100 3.200 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.32896E-03 ppm1 8.634 ppm2 4.555 CV 1 ASSI { 112} (( segid "B " and resid 4 and name HN )) (( segid "A " and resid 75 and name HA )) 5.100 3.200 0.900 peak 112 spectrum 1 weight 0.10000E+01 volume 0.32896E-03 ppm1 8.634 ppm2 4.555 CV 1 ASSI { 113} (( segid "A " and resid 4 and name HN )) (( segid "A " and resid 3 and name HA )) 3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 8.634 ppm2 4.425 CV 1 ASSI { 113} (( segid "B " and resid 4 and name HN )) (( segid "B " and resid 3 and name HA )) 3.400 1.400 1.400 peak 113 spectrum 1 weight 0.10000E+01 volume 0.10137E-02 ppm1 8.634 ppm2 4.425 CV 1 ASSI { 114} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 111 and name HN )) 3.600 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 7.779 ppm2 9.099 CV 1 ASSI { 114} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 111 and name HN )) 3.600 1.600 1.600 peak 114 spectrum 1 weight 0.10000E+01 volume 0.13065E-02 ppm1 7.779 ppm2 9.099 CV 1 ASSI { 116} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 86 and name HN )) 3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 7.779 ppm2 8.774 CV 1 ASSI { 116} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 86 and name HN )) 3.800 1.800 1.800 peak 116 spectrum 1 weight 0.10000E+01 volume 0.10169E-02 ppm1 7.779 ppm2 8.774 CV 1 ASSI { 117} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HB3 )) 4.000 2.000 2.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 7.790 ppm2 2.434 CV 1 ASSI { 117} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 84 and name HB3 )) 4.000 2.000 2.000 peak 117 spectrum 1 weight 0.10000E+01 volume 0.14678E-02 ppm1 7.790 ppm2 2.434 CV 1 ASSI { 119} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 85 and name HB )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 7.790 ppm2 1.958 CV 1 ASSI { 119} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 85 and name HB )) 3.200 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 7.790 ppm2 1.958 CV 1 ASSI { 120} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 85 and name HG1%) 2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 7.790 ppm2 1.049 CV 1 ASSI { 120} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 85 and name HG1%) 2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.31840E-02 ppm1 7.790 ppm2 1.049 CV 1 ASSI { 121} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 85 and name HG2%) 2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.72193E-02 ppm1 7.790 ppm2 0.768 CV 1 ASSI { 121} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 85 and name HG2%) 2.400 0.700 0.700 peak 121 spectrum 1 weight 0.10000E+01 volume 0.72193E-02 ppm1 7.790 ppm2 0.768 CV 1 ASSI { 122} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.61140E-03 ppm1 7.790 ppm2 6.978 CV 1 ASSI { 122} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.61140E-03 ppm1 7.790 ppm2 6.978 CV 1 ASSI { 123} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 111 and name HE% ) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.72504E-03 ppm1 7.790 ppm2 6.697 CV 1 ASSI { 123} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 111 and name HE% ) 3.600 1.600 1.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.72504E-03 ppm1 7.790 ppm2 6.697 CV 1 ASSI { 124} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 85 and name HA )) 2.900 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 7.790 ppm2 5.247 CV 1 ASSI { 124} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 85 and name HA )) 2.900 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.18117E-02 ppm1 7.790 ppm2 5.247 CV 1 ASSI { 125} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HA )) 2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.67709E-02 ppm1 7.790 ppm2 5.096 CV 1 ASSI { 125} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 84 and name HA )) 2.200 0.600 0.600 peak 125 spectrum 1 weight 0.10000E+01 volume 0.67709E-02 ppm1 7.790 ppm2 5.096 CV 1 ASSI { 126} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 109 and name HB )) 3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 7.790 ppm2 3.711 CV 1 ASSI { 126} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 109 and name HB )) 3.600 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.16959E-02 ppm1 7.790 ppm2 3.711 CV 1 ASSI { 127} (( segid "A " and resid 35 and name HE21)) (( segid "A " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.17405E-02 ppm1 6.686 ppm2 1.871 CV 1 OR { 127} (( segid "A " and resid 35 and name HE21)) (( segid "A " and resid 35 and name HG2 )) ASSI { 127} (( segid "B " and resid 35 and name HE21)) (( segid "B " and resid 35 and name HB2 )) 2.700 0.900 0.900 peak 127 spectrum 1 weight 0.10000E+01 volume 0.17405E-02 ppm1 6.686 ppm2 1.871 CV 1 OR { 127} (( segid "B " and resid 35 and name HE21)) (( segid "B " and resid 35 and name HG2 )) ASSI { 128} (( segid "A " and resid 35 and name HE21)) (( segid "A " and resid 35 and name HE22)) 1.700 0.300 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.23142E-01 ppm1 6.686 ppm2 7.000 CV 1 ASSI { 128} (( segid "B " and resid 35 and name HE21)) (( segid "B " and resid 35 and name HE22)) 1.700 0.300 0.500 peak 128 spectrum 1 weight 0.10000E+01 volume 0.23142E-01 ppm1 6.686 ppm2 7.000 CV 1 ASSI { 129} (( segid "A " and resid 35 and name HE21)) (( segid "A " and resid 35 and name HA )) 4.300 2.300 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.71713E-03 ppm1 6.686 ppm2 3.862 CV 1 ASSI { 129} (( segid "B " and resid 35 and name HE21)) (( segid "B " and resid 35 and name HA )) 4.300 2.300 1.700 peak 129 spectrum 1 weight 0.10000E+01 volume 0.71713E-03 ppm1 6.686 ppm2 3.862 CV 1 ASSI { 130} (( segid "A " and resid 35 and name HE22)) (( segid "A " and resid 35 and name HG3 )) 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 7.022 ppm2 1.979 CV 1 ASSI { 130} (( segid "B " and resid 35 and name HE22)) (( segid "B " and resid 35 and name HG3 )) 3.900 1.900 1.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.10449E-02 ppm1 7.022 ppm2 1.979 CV 1 ASSI { 131} (( segid "A " and resid 35 and name HE22)) (( segid "A " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.36205E-02 ppm1 7.022 ppm2 1.871 CV 1 OR { 131} (( segid "A " and resid 35 and name HE22)) (( segid "A " and resid 35 and name HG2 )) ASSI { 131} (( segid "B " and resid 35 and name HE22)) (( segid "B " and resid 35 and name HB2 )) 3.300 1.400 1.400 peak 131 spectrum 1 weight 0.10000E+01 volume 0.36205E-02 ppm1 7.022 ppm2 1.871 CV 1 OR { 131} (( segid "B " and resid 35 and name HE22)) (( segid "B " and resid 35 and name HG2 )) ASSI { 134} (( segid "A " and resid 35 and name HE22)) (( segid "A " and resid 35 and name HA )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.33424E-03 ppm1 7.022 ppm2 3.862 CV 1 ASSI { 134} (( segid "B " and resid 35 and name HE22)) (( segid "B " and resid 35 and name HA )) 6.000 4.500 0.000 peak 134 spectrum 1 weight 0.10000E+01 volume 0.33424E-03 ppm1 7.022 ppm2 3.862 CV 1 ASSI { 135} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 79 and name HN )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.16309E-02 ppm1 8.948 ppm2 7.822 CV 1 ASSI { 135} (( segid "B " and resid 78 and name HN )) (( segid "B " and resid 79 and name HN )) 2.800 1.000 1.000 peak 135 spectrum 1 weight 0.10000E+01 volume 0.16309E-02 ppm1 8.948 ppm2 7.822 CV 1 ASSI { 136} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HA2 )) 3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.22226E-02 ppm1 8.958 ppm2 4.122 CV 1 ASSI { 136} (( segid "B " and resid 78 and name HN )) (( segid "B " and resid 78 and name HA2 )) 3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.22226E-02 ppm1 8.958 ppm2 4.122 CV 1 ASSI { 137} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HA1 )) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.18627E-02 ppm1 8.958 ppm2 3.797 CV 1 ASSI { 137} (( segid "B " and resid 78 and name HN )) (( segid "B " and resid 78 and name HA1 )) 2.800 1.000 1.000 peak 137 spectrum 1 weight 0.10000E+01 volume 0.18627E-02 ppm1 8.958 ppm2 3.797 CV 1 ASSI { 141} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 40 and name HN )) 4.200 2.200 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25631E-03 ppm1 6.491 ppm2 7.757 CV 1 ASSI { 141} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 40 and name HN )) 4.200 2.200 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.25631E-03 ppm1 6.491 ppm2 7.757 CV 1 ASSI { 142} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 61 and name HD22)) 1.600 0.300 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.22385E-01 ppm1 6.491 ppm2 7.238 CV 1 ASSI { 142} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 61 and name HD22)) 1.600 0.300 0.600 peak 142 spectrum 1 weight 0.10000E+01 volume 0.22385E-01 ppm1 6.491 ppm2 7.238 CV 1 ASSI { 144} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 39 and name HA )) 3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.82598E-03 ppm1 6.491 ppm2 4.490 CV 1 ASSI { 144} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 39 and name HA )) 3.700 1.700 1.700 peak 144 spectrum 1 weight 0.10000E+01 volume 0.82598E-03 ppm1 6.491 ppm2 4.490 CV 1 ASSI { 145} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 41 and name HA )) 3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.92525E-03 ppm1 6.491 ppm2 4.230 CV 1 ASSI { 145} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 41 and name HA )) 3.100 1.200 1.200 peak 145 spectrum 1 weight 0.10000E+01 volume 0.92525E-03 ppm1 6.491 ppm2 4.230 CV 1 ASSI { 146} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 61 and name HB3 )) 3.900 1.900 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13156E-02 ppm1 6.491 ppm2 3.191 CV 1 ASSI { 146} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 61 and name HB3 )) 3.900 1.900 1.900 peak 146 spectrum 1 weight 0.10000E+01 volume 0.13156E-02 ppm1 6.491 ppm2 3.191 CV 1 ASSI { 147} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 61 and name HB2 )) 2.600 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15676E-02 ppm1 6.491 ppm2 2.758 CV 1 ASSI { 147} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 61 and name HB2 )) 2.600 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.15676E-02 ppm1 6.491 ppm2 2.758 CV 1 ASSI { 152} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 61 and name HA )) 4.900 3.000 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.63850E-03 ppm1 7.238 ppm2 4.944 CV 1 ASSI { 152} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 61 and name HA )) 4.900 3.000 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.63850E-03 ppm1 7.238 ppm2 4.944 CV 1 ASSI { 154} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 39 and name HA )) 3.600 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 7.238 ppm2 4.490 CV 1 ASSI { 154} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 39 and name HA )) 3.600 1.600 1.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.10730E-02 ppm1 7.238 ppm2 4.490 CV 1 ASSI { 155} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 41 and name HA )) 4.400 2.500 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 7.238 ppm2 4.230 CV 1 ASSI { 155} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 41 and name HA )) 4.400 2.500 1.600 peak 155 spectrum 1 weight 0.10000E+01 volume 0.11811E-02 ppm1 7.238 ppm2 4.230 CV 1 ASSI { 156} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 61 and name HB3 )) 4.000 2.000 2.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 7.238 ppm2 3.191 CV 1 ASSI { 156} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 61 and name HB3 )) 4.000 2.000 2.000 peak 156 spectrum 1 weight 0.10000E+01 volume 0.18469E-02 ppm1 7.238 ppm2 3.191 CV 1 ASSI { 157} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 61 and name HB2 )) 3.600 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 7.238 ppm2 2.758 CV 1 ASSI { 157} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 61 and name HB2 )) 3.600 1.700 1.700 peak 157 spectrum 1 weight 0.10000E+01 volume 0.23629E-02 ppm1 7.238 ppm2 2.758 CV 1 ASSI { 158} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 39 and name HN )) 3.900 1.900 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.54403E-03 ppm1 7.238 ppm2 8.493 CV 1 ASSI { 158} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 39 and name HN )) 3.900 1.900 1.900 peak 158 spectrum 1 weight 0.10000E+01 volume 0.54403E-03 ppm1 7.238 ppm2 8.493 CV 1 ASSI { 160} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HB3 )) 3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.36299E-02 ppm1 8.309 ppm2 2.066 CV 1 ASSI { 160} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 54 and name HB3 )) 3.200 1.300 1.300 peak 160 spectrum 1 weight 0.10000E+01 volume 0.36299E-02 ppm1 8.309 ppm2 2.066 CV 1 ASSI { 161} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.29083E-02 ppm1 8.309 ppm2 1.958 CV 1 ASSI { 161} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 161 spectrum 1 weight 0.10000E+01 volume 0.29083E-02 ppm1 8.309 ppm2 1.958 CV 1 ASSI { 162} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 53 and name HB% ) 2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.46683E-02 ppm1 8.309 ppm2 1.482 CV 1 ASSI { 162} (( segid "B " and resid 54 and name HN )) ( segid "B " and resid 53 and name HB% ) 2.700 0.900 0.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.46683E-02 ppm1 8.309 ppm2 1.482 CV 1 ASSI { 164} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HA )) 2.800 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 8.309 ppm2 4.684 CV 1 ASSI { 164} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 54 and name HA )) 2.800 1.000 1.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.30643E-02 ppm1 8.309 ppm2 4.684 CV 1 ASSI { 165} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HA )) 3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.20486E-02 ppm1 8.309 ppm2 4.273 CV 1 ASSI { 165} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 53 and name HA )) 3.200 1.300 1.300 peak 165 spectrum 1 weight 0.10000E+01 volume 0.20486E-02 ppm1 8.309 ppm2 4.273 CV 1 ASSI { 166} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 51 and name HA )) 3.700 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 8.309 ppm2 3.776 CV 1 ASSI { 166} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 51 and name HA )) 3.700 1.700 1.700 peak 166 spectrum 1 weight 0.10000E+01 volume 0.17323E-02 ppm1 8.309 ppm2 3.776 CV 1 ASSI { 167} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HG3 )) 3.000 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.13997E-02 ppm1 8.309 ppm2 2.802 CV 1 ASSI { 167} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 54 and name HG3 )) 3.000 1.100 1.100 peak 167 spectrum 1 weight 0.10000E+01 volume 0.13997E-02 ppm1 8.309 ppm2 2.802 CV 1 ASSI { 168} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 54 and name HG2 )) 3.400 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 8.309 ppm2 2.542 CV 1 ASSI { 168} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 54 and name HG2 )) 3.400 1.400 1.400 peak 168 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 8.309 ppm2 2.542 CV 1 ASSI { 174} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HB2 )) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 10.224 ppm2 1.417 CV 1 ASSI { 174} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 70 and name HB2 )) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.11902E-02 ppm1 10.224 ppm2 1.417 CV 1 ASSI { 175} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HG )) 3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.60734E-03 ppm1 10.224 ppm2 0.984 CV 1 ASSI { 175} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 70 and name HG )) 3.000 1.100 1.100 peak 175 spectrum 1 weight 0.10000E+01 volume 0.60734E-03 ppm1 10.224 ppm2 0.984 CV 1 ASSI { 176} (( segid "A " and resid 71 and name HN )) ( segid "A " and resid 70 and name HD2%) 4.900 3.000 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.42654E-03 ppm1 10.224 ppm2 0.638 CV 1 ASSI { 176} (( segid "B " and resid 71 and name HN )) ( segid "B " and resid 70 and name HD2%) 4.900 3.000 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.42654E-03 ppm1 10.224 ppm2 0.638 CV 1 ASSI { 181} (( segid "A " and resid 14 and name HE21)) (( segid "A " and resid 14 and name HG2 )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19941E-02 ppm1 6.892 ppm2 2.304 CV 1 ASSI { 181} (( segid "B " and resid 14 and name HE21)) (( segid "B " and resid 14 and name HG2 )) 3.300 1.400 1.400 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19941E-02 ppm1 6.892 ppm2 2.304 CV 1 ASSI { 183} (( segid "A " and resid 14 and name HE21)) (( segid "A " and resid 14 and name HE22)) 1.800 0.400 0.400 peak 183 spectrum 1 weight 0.10000E+01 volume 0.11291E-01 ppm1 6.892 ppm2 7.671 CV 1 ASSI { 183} (( segid "B " and resid 14 and name HE21)) (( segid "B " and resid 14 and name HE22)) 1.800 0.400 0.400 peak 183 spectrum 1 weight 0.10000E+01 volume 0.11291E-01 ppm1 6.892 ppm2 7.671 CV 1 ASSI { 184} (( segid "A " and resid 14 and name HE21)) (( segid "A " and resid 14 and name HG3 )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.97705E-03 ppm1 6.892 ppm2 2.867 CV 1 ASSI { 184} (( segid "B " and resid 14 and name HE21)) (( segid "B " and resid 14 and name HG3 )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.97705E-03 ppm1 6.892 ppm2 2.867 CV 1 ASSI { 188} (( segid "A " and resid 14 and name HE22)) (( segid "A " and resid 14 and name HA )) 5.200 3.300 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.80752E-03 ppm1 7.671 ppm2 4.035 CV 1 ASSI { 188} (( segid "B " and resid 14 and name HE22)) (( segid "B " and resid 14 and name HA )) 5.200 3.300 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.80752E-03 ppm1 7.671 ppm2 4.035 CV 1 ASSI { 189} (( segid "A " and resid 14 and name HE22)) (( segid "A " and resid 14 and name HG3 )) 3.900 1.900 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16091E-02 ppm1 7.671 ppm2 2.867 CV 1 ASSI { 189} (( segid "B " and resid 14 and name HE22)) (( segid "B " and resid 14 and name HG3 )) 3.900 1.900 1.900 peak 189 spectrum 1 weight 0.10000E+01 volume 0.16091E-02 ppm1 7.671 ppm2 2.867 CV 1 ASSI { 191} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 30 and name HN )) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.73823E-03 ppm1 8.266 ppm2 9.056 CV 1 ASSI { 191} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 30 and name HN )) 3.800 1.800 1.800 peak 191 spectrum 1 weight 0.10000E+01 volume 0.73823E-03 ppm1 8.266 ppm2 9.056 CV 1 ASSI { 192} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18160E-02 ppm1 8.266 ppm2 2.001 CV 1 ASSI { 192} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HG2 )) 2.800 1.000 1.000 peak 192 spectrum 1 weight 0.10000E+01 volume 0.18160E-02 ppm1 8.266 ppm2 2.001 CV 1 ASSI { 193} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HB2 )) 2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.10914E-01 ppm1 8.266 ppm2 1.720 CV 1 OR { 193} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HB3 )) ASSI { 193} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HB2 )) 2.200 0.600 0.600 peak 193 spectrum 1 weight 0.10000E+01 volume 0.10914E-01 ppm1 8.266 ppm2 1.720 CV 1 OR { 193} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HB3 )) ASSI { 194} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HG3 )) 3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.29779E-02 ppm1 8.266 ppm2 1.503 CV 1 ASSI { 194} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HG3 )) 3.400 1.500 1.500 peak 194 spectrum 1 weight 0.10000E+01 volume 0.29779E-02 ppm1 8.266 ppm2 1.503 CV 1 ASSI { 195} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HG2 )) 2.900 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 8.266 ppm2 1.244 CV 1 ASSI { 195} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HG2 )) 2.900 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.15076E-02 ppm1 8.266 ppm2 1.244 CV 1 ASSI { 196} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 125 and name HD2%) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.66799E-03 ppm1 8.266 ppm2 0.118 CV 1 ASSI { 196} (( segid "B " and resid 28 and name HN )) ( segid "B " and resid 125 and name HD2%) 4.100 2.100 1.900 peak 196 spectrum 1 weight 0.10000E+01 volume 0.66799E-03 ppm1 8.266 ppm2 0.118 CV 1 ASSI { 197} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 125 and name HD1%) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.14981E-02 ppm1 8.266 ppm2 -0.206 CV 1 ASSI { 197} (( segid "B " and resid 28 and name HN )) ( segid "B " and resid 125 and name HD1%) 3.500 1.600 1.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.14981E-02 ppm1 8.266 ppm2 -0.206 CV 1 ASSI { 198} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 29 and name HN )) 2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.33592E-02 ppm1 8.266 ppm2 7.627 CV 1 ASSI { 198} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 29 and name HN )) 2.600 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.33592E-02 ppm1 8.266 ppm2 7.627 CV 1 ASSI { 201} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HD2 )) 3.300 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 8.266 ppm2 3.927 CV 1 ASSI { 201} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HD2 )) 3.300 1.300 1.300 peak 201 spectrum 1 weight 0.10000E+01 volume 0.12437E-02 ppm1 8.266 ppm2 3.927 CV 1 ASSI { 202} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HA )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 8.266 ppm2 3.754 CV 1 ASSI { 202} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HA )) 2.800 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.30906E-02 ppm1 8.266 ppm2 3.754 CV 1 ASSI { 204} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HB3 )) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.87827E-03 ppm1 8.266 ppm2 2.650 CV 1 ASSI { 204} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HB3 )) 3.900 1.900 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.87827E-03 ppm1 8.266 ppm2 2.650 CV 1 ASSI { 205} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HG3 )) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 8.277 ppm2 2.217 CV 1 ASSI { 205} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HG3 )) 4.100 2.100 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.12298E-02 ppm1 8.277 ppm2 2.217 CV 1 ASSI { 206} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HB2 )) 5.900 4.400 0.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.277 ppm2 1.655 CV 1 ASSI { 206} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HB2 )) 5.900 4.400 0.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.277 ppm2 1.655 CV 1 ASSI { 207} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HA )) 3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 8.277 ppm2 4.555 CV 1 ASSI { 207} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 27 and name HA )) 3.200 1.300 1.300 peak 207 spectrum 1 weight 0.10000E+01 volume 0.10907E-02 ppm1 8.277 ppm2 4.555 CV 1 ASSI { 208} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 29 and name HB2 )) 4.900 3.000 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.46250E-03 ppm1 8.277 ppm2 2.564 CV 1 ASSI { 208} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 29 and name HB2 )) 4.900 3.000 1.100 peak 208 spectrum 1 weight 0.10000E+01 volume 0.46250E-03 ppm1 8.277 ppm2 2.564 CV 1 ASSI { 209} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HB )) 3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 6.881 ppm2 2.455 CV 1 ASSI { 209} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 59 and name HB )) 3.700 1.700 1.700 peak 209 spectrum 1 weight 0.10000E+01 volume 0.13966E-02 ppm1 6.881 ppm2 2.455 CV 1 ASSI { 210} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HB2 )) 3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 6.881 ppm2 1.785 CV 1 ASSI { 210} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 58 and name HB2 )) 3.900 1.900 1.900 peak 210 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 6.881 ppm2 1.785 CV 1 ASSI { 212} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 59 and name HG1%) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 6.881 ppm2 1.006 CV 1 ASSI { 212} (( segid "B " and resid 59 and name HN )) ( segid "B " and resid 59 and name HG1%) 2.700 0.900 0.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.26566E-02 ppm1 6.881 ppm2 1.006 CV 1 ASSI { 213} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 59 and name HG2%) 2.300 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.77635E-02 ppm1 6.881 ppm2 0.681 CV 1 ASSI { 213} (( segid "B " and resid 59 and name HN )) ( segid "B " and resid 59 and name HG2%) 2.300 0.700 0.700 peak 213 spectrum 1 weight 0.10000E+01 volume 0.77635E-02 ppm1 6.881 ppm2 0.681 CV 1 ASSI { 215} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HA )) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 6.881 ppm2 4.684 CV 1 ASSI { 215} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 59 and name HA )) 2.700 0.900 0.900 peak 215 spectrum 1 weight 0.10000E+01 volume 0.34981E-02 ppm1 6.881 ppm2 4.684 CV 1 ASSI { 216} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HA )) 2.000 0.500 0.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14170E-01 ppm1 6.881 ppm2 4.403 CV 1 ASSI { 216} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 58 and name HA )) 2.000 0.500 0.500 peak 216 spectrum 1 weight 0.10000E+01 volume 0.14170E-01 ppm1 6.881 ppm2 4.403 CV 1 ASSI { 218} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HB3 )) 3.400 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21087E-02 ppm1 6.881 ppm2 2.780 CV 1 ASSI { 218} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 58 and name HB3 )) 3.400 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.21087E-02 ppm1 6.881 ppm2 2.780 CV 1 ASSI { 219} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HN )) 4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.74280E-03 ppm1 6.881 ppm2 8.558 CV 1 ASSI { 219} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 60 and name HN )) 4.100 2.100 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.74280E-03 ppm1 6.881 ppm2 8.558 CV 1 ASSI { 220} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HB3 )) 3.400 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.48240E-02 ppm1 8.558 ppm2 2.152 CV 1 ASSI { 220} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 121 and name HB3 )) 3.400 1.400 1.400 peak 220 spectrum 1 weight 0.10000E+01 volume 0.48240E-02 ppm1 8.558 ppm2 2.152 CV 1 ASSI { 221} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HB2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.558 ppm2 1.503 CV 1 ASSI { 221} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 121 and name HB2 )) 2.700 0.900 0.900 peak 221 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.558 ppm2 1.503 CV 1 ASSI { 223} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HA )) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.28006E-02 ppm1 8.558 ppm2 4.273 CV 1 ASSI { 223} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 121 and name HA )) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.28006E-02 ppm1 8.558 ppm2 4.273 CV 1 ASSI { 225} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HA )) 3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 8.558 ppm2 3.797 CV 1 ASSI { 225} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 120 and name HA )) 3.300 1.300 1.300 peak 225 spectrum 1 weight 0.10000E+01 volume 0.16038E-02 ppm1 8.558 ppm2 3.797 CV 1 ASSI { 227} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HG )) 4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.41864E-03 ppm1 8.569 ppm2 1.785 CV 1 ASSI { 227} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 121 and name HG )) 4.000 2.000 2.000 peak 227 spectrum 1 weight 0.10000E+01 volume 0.41864E-03 ppm1 8.569 ppm2 1.785 CV 1 ASSI { 228} (( segid "A " and resid 121 and name HN )) ( segid "A " and resid 121 and name HD2%) 3.500 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 8.569 ppm2 1.006 CV 1 OR { 228} (( segid "A " and resid 121 and name HN )) ( segid "A " and resid 121 and name HD1%) ASSI { 228} (( segid "B " and resid 121 and name HN )) ( segid "B " and resid 121 and name HD2%) 3.500 1.600 1.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 8.569 ppm2 1.006 CV 1 OR { 228} (( segid "B " and resid 121 and name HN )) ( segid "B " and resid 121 and name HD1%) ASSI { 229} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HD1 )) 3.900 1.900 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.80633E-03 ppm1 8.569 ppm2 6.589 CV 1 ASSI { 229} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 120 and name HD1 )) 3.900 1.900 1.900 peak 229 spectrum 1 weight 0.10000E+01 volume 0.80633E-03 ppm1 8.569 ppm2 6.589 CV 1 ASSI { 230} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HB3 )) 3.200 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.91926E-03 ppm1 8.569 ppm2 3.451 CV 1 OR { 230} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HB2 )) ASSI { 230} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 120 and name HB3 )) 3.200 1.200 1.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.91926E-03 ppm1 8.569 ppm2 3.451 CV 1 OR { 230} (( segid "B " and resid 121 and name HN )) (( segid "B " and resid 120 and name HB2 )) ASSI { 231} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HB3 )) 3.400 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 7.498 ppm2 2.131 CV 1 ASSI { 231} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 76 and name HB3 )) 3.400 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.33616E-02 ppm1 7.498 ppm2 2.131 CV 1 ASSI { 234} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HG3 )) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.52053E-02 ppm1 7.498 ppm2 1.460 CV 1 ASSI { 234} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 76 and name HG3 )) 3.000 1.100 1.100 peak 234 spectrum 1 weight 0.10000E+01 volume 0.52053E-02 ppm1 7.498 ppm2 1.460 CV 1 ASSI { 236} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HN )) 2.300 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.65120E-02 ppm1 7.498 ppm2 7.865 CV 1 ASSI { 236} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 77 and name HN )) 2.300 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.65120E-02 ppm1 7.498 ppm2 7.865 CV 1 ASSI { 237} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HA )) 2.600 0.900 0.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.46467E-02 ppm1 7.498 ppm2 4.684 CV 1 ASSI { 237} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 76 and name HA )) 2.600 0.900 0.900 peak 237 spectrum 1 weight 0.10000E+01 volume 0.46467E-02 ppm1 7.498 ppm2 4.684 CV 1 ASSI { 238} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HA )) 3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.86844E-03 ppm1 7.498 ppm2 4.533 CV 1 ASSI { 238} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 75 and name HA )) 3.500 1.500 1.500 peak 238 spectrum 1 weight 0.10000E+01 volume 0.86844E-03 ppm1 7.498 ppm2 4.533 CV 1 ASSI { 239} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HA )) 3.700 1.700 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.20308E-02 ppm1 7.498 ppm2 4.078 CV 1 ASSI { 239} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 77 and name HA )) 3.600 1.700 1.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.20308E-02 ppm1 7.498 ppm2 4.078 CV 1 ASSI { 240} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HB2 )) 4.400 2.500 1.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.57880E-03 ppm1 7.498 ppm2 3.646 CV 1 OR { 240} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HB3 )) ASSI { 240} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 77 and name HB2 )) 4.400 2.500 1.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.57880E-03 ppm1 7.498 ppm2 3.646 CV 1 OR { 240} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 77 and name HB3 )) ASSI { 241} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 74 and name HA )) 3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.52077E-03 ppm1 7.498 ppm2 3.494 CV 1 ASSI { 241} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 74 and name HA )) 3.600 1.600 1.600 peak 241 spectrum 1 weight 0.10000E+01 volume 0.52077E-03 ppm1 7.498 ppm2 3.494 CV 1 ASSI { 246} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.39538E-02 ppm1 8.331 ppm2 1.157 CV 1 OR { 246} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HD3 )) ASSI { 246} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 246 spectrum 1 weight 0.10000E+01 volume 0.39538E-02 ppm1 8.331 ppm2 1.157 CV 1 OR { 246} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 56 and name HD3 )) ASSI { 247} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HG2 )) 4.100 2.100 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 8.331 ppm2 0.941 CV 1 ASSI { 247} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 56 and name HG2 )) 4.100 2.100 1.900 peak 247 spectrum 1 weight 0.10000E+01 volume 0.14264E-02 ppm1 8.331 ppm2 0.941 CV 1 ASSI { 248} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 128 and name HD2%) 5.400 3.700 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55481E-03 ppm1 8.331 ppm2 0.681 CV 1 ASSI { 248} (( segid "B " and resid 56 and name HN )) ( segid "B " and resid 128 and name HD2%) 5.400 3.700 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.55481E-03 ppm1 8.331 ppm2 0.681 CV 1 ASSI { 249} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HN )) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 8.331 ppm2 7.541 CV 1 ASSI { 249} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 55 and name HN )) 3.800 1.800 1.800 peak 249 spectrum 1 weight 0.10000E+01 volume 0.15961E-02 ppm1 8.331 ppm2 7.541 CV 1 ASSI { 251} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HA )) 2.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 8.331 ppm2 4.490 CV 1 ASSI { 251} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 56 and name HA )) 2.900 1.100 1.100 peak 251 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 8.331 ppm2 4.490 CV 1 ASSI { 252} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HA2 )) 2.300 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.54882E-02 ppm1 8.331 ppm2 4.317 CV 1 ASSI { 252} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 55 and name HA2 )) 2.300 0.700 0.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.54882E-02 ppm1 8.331 ppm2 4.317 CV 1 ASSI { 253} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HA1 )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.52172E-02 ppm1 8.331 ppm2 3.754 CV 1 ASSI { 253} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 55 and name HA1 )) 2.600 0.800 0.800 peak 253 spectrum 1 weight 0.10000E+01 volume 0.52172E-02 ppm1 8.331 ppm2 3.754 CV 1 ASSI { 255} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HG2 )) 3.200 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 7.844 ppm2 2.196 CV 1 OR { 255} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HG3 )) ASSI { 255} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HG2 )) 3.200 1.200 1.200 peak 255 spectrum 1 weight 0.10000E+01 volume 0.25631E-02 ppm1 7.844 ppm2 2.196 CV 1 OR { 255} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HG3 )) ASSI { 257} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HB2 )) 1.900 0.400 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10854E-01 ppm1 7.844 ppm2 1.936 CV 1 ASSI { 257} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HB2 )) 1.900 0.400 0.400 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10854E-01 ppm1 7.844 ppm2 1.936 CV 1 ASSI { 259} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HN )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 7.844 ppm2 8.039 CV 1 ASSI { 259} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 35 and name HN )) 2.600 0.800 0.800 peak 259 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 7.844 ppm2 8.039 CV 1 ASSI { 260} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 37 and name HN )) 2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.49870E-02 ppm1 7.844 ppm2 7.411 CV 1 ASSI { 260} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 37 and name HN )) 2.400 0.700 0.700 peak 260 spectrum 1 weight 0.10000E+01 volume 0.49870E-02 ppm1 7.844 ppm2 7.411 CV 1 ASSI { 261} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HA )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.35750E-02 ppm1 7.844 ppm2 4.143 CV 1 ASSI { 261} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HA )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.35750E-02 ppm1 7.844 ppm2 4.143 CV 1 ASSI { 263} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 37 and name HB3 )) 4.800 2.900 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.49608E-03 ppm1 7.844 ppm2 2.888 CV 1 ASSI { 263} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 37 and name HB3 )) 4.800 2.900 1.200 peak 263 spectrum 1 weight 0.10000E+01 volume 0.49608E-03 ppm1 7.844 ppm2 2.888 CV 1 ASSI { 264} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HB3 )) 2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 8.168 ppm2 2.261 CV 1 OR { 264} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HB2 )) OR { 264} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HG2 )) ASSI { 264} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 122 and name HB3 )) 2.400 0.700 0.700 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10449E-01 ppm1 8.168 ppm2 2.261 CV 1 OR { 264} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 122 and name HB2 )) OR { 264} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 122 and name HG2 )) ASSI { 265} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HB3 )) 2.900 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41144E-02 ppm1 8.168 ppm2 2.044 CV 1 ASSI { 265} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 123 and name HB3 )) 2.900 1.100 1.100 peak 265 spectrum 1 weight 0.10000E+01 volume 0.41144E-02 ppm1 8.168 ppm2 2.044 CV 1 ASSI { 266} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.45386E-02 ppm1 8.168 ppm2 1.763 CV 1 ASSI { 266} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 123 and name HB2 )) 2.400 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.45386E-02 ppm1 8.168 ppm2 1.763 CV 1 ASSI { 268} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 124 and name HN )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.61427E-02 ppm1 8.168 ppm2 7.779 CV 1 ASSI { 268} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 124 and name HN )) 2.400 0.700 0.700 peak 268 spectrum 1 weight 0.10000E+01 volume 0.61427E-02 ppm1 8.168 ppm2 7.779 CV 1 ASSI { 269} (( segid "A " and resid 123 and name HN )) ( segid "A " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.69675E-03 ppm1 8.168 ppm2 -0.206 CV 1 ASSI { 269} (( segid "B " and resid 123 and name HN )) ( segid "B " and resid 125 and name HD1%) 4.400 2.400 1.600 peak 269 spectrum 1 weight 0.10000E+01 volume 0.69675E-03 ppm1 8.168 ppm2 -0.206 CV 1 ASSI { 271} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 125 and name HN )) 3.700 1.700 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.78908E-03 ppm1 8.168 ppm2 7.324 CV 1 ASSI { 271} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 125 and name HN )) 3.700 1.700 1.700 peak 271 spectrum 1 weight 0.10000E+01 volume 0.78908E-03 ppm1 8.168 ppm2 7.324 CV 1 ASSI { 272} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HA )) 2.600 0.900 0.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.44739E-02 ppm1 8.168 ppm2 4.230 CV 1 ASSI { 272} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 123 and name HA )) 2.600 0.900 0.900 peak 272 spectrum 1 weight 0.10000E+01 volume 0.44739E-02 ppm1 8.168 ppm2 4.230 CV 1 ASSI { 273} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HA )) 3.300 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 8.168 ppm2 3.992 CV 1 ASSI { 273} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 122 and name HA )) 3.300 1.300 1.300 peak 273 spectrum 1 weight 0.10000E+01 volume 0.14988E-02 ppm1 8.168 ppm2 3.992 CV 1 ASSI { 275} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 124 and name HA1 )) 4.300 2.300 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 8.168 ppm2 3.711 CV 1 ASSI { 275} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 124 and name HA1 )) 4.300 2.300 1.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.12099E-02 ppm1 8.168 ppm2 3.711 CV 1 ASSI { 276} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 122 and name HG3 )) 5.000 3.100 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.65767E-03 ppm1 8.179 ppm2 2.434 CV 1 ASSI { 276} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 122 and name HG3 )) 5.000 3.100 1.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.65767E-03 ppm1 8.179 ppm2 2.434 CV 1 ASSI { 277} (( segid "A " and resid 123 and name HN )) ( segid "A " and resid 125 and name HD2%) 5.200 3.400 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.62602E-03 ppm1 8.179 ppm2 0.118 CV 1 ASSI { 277} (( segid "B " and resid 123 and name HN )) ( segid "B " and resid 125 and name HD2%) 5.200 3.400 0.800 peak 277 spectrum 1 weight 0.10000E+01 volume 0.62602E-03 ppm1 8.179 ppm2 0.118 CV 1 ASSI { 278} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 128 and name HA )) 4.300 2.300 1.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.70779E-03 ppm1 8.331 ppm2 4.641 CV 1 ASSI { 278} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 128 and name HA )) 4.300 2.300 1.700 peak 278 spectrum 1 weight 0.10000E+01 volume 0.70779E-03 ppm1 8.331 ppm2 4.641 CV 1 ASSI { 280} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HG2 )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.42319E-02 ppm1 8.969 ppm2 2.239 CV 1 ASSI { 280} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 48 and name HG2 )) 2.400 0.700 0.700 peak 280 spectrum 1 weight 0.10000E+01 volume 0.42319E-02 ppm1 8.969 ppm2 2.239 CV 1 ASSI { 281} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HN )) 2.600 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 8.969 ppm2 7.433 CV 1 ASSI { 281} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 50 and name HN )) 2.600 0.800 0.800 peak 281 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 8.969 ppm2 7.433 CV 1 ASSI { 283} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HD2 )) 3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10485E-02 ppm1 8.969 ppm2 3.732 CV 1 ASSI { 283} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 48 and name HD2 )) 3.200 1.300 1.300 peak 283 spectrum 1 weight 0.10000E+01 volume 0.10485E-02 ppm1 8.969 ppm2 3.732 CV 1 ASSI { 284} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 47 and name HB3 )) 3.400 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.82983E-03 ppm1 8.969 ppm2 3.191 CV 1 ASSI { 284} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 47 and name HB3 )) 3.400 1.400 1.400 peak 284 spectrum 1 weight 0.10000E+01 volume 0.82983E-03 ppm1 8.969 ppm2 3.191 CV 1 ASSI { 286} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB2 )) 2.300 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.48863E-02 ppm1 8.969 ppm2 2.607 CV 1 ASSI { 286} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 49 and name HB2 )) 2.300 0.700 0.700 peak 286 spectrum 1 weight 0.10000E+01 volume 0.48863E-02 ppm1 8.969 ppm2 2.607 CV 1 ASSI { 287} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HA1 )) 3.900 1.900 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.79290E-03 ppm1 7.270 ppm2 3.646 CV 1 ASSI { 287} (( segid "B " and resid 69 and name HN )) (( segid "B " and resid 68 and name HA1 )) 3.900 1.900 1.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.79290E-03 ppm1 7.270 ppm2 3.646 CV 1 ASSI { 289} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HB3 )) 4.200 2.200 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.63753E-03 ppm1 8.515 ppm2 2.347 CV 1 ASSI { 289} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HB3 )) 4.200 2.200 1.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.63753E-03 ppm1 8.515 ppm2 2.347 CV 1 ASSI { 290} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HG2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37163E-02 ppm1 8.515 ppm2 1.979 CV 1 OR { 290} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HB2 )) OR { 290} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HG3 )) ASSI { 290} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HG2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.37163E-02 ppm1 8.515 ppm2 1.979 CV 1 OR { 290} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HB2 )) OR { 290} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HG3 )) ASSI { 291} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HB )) 3.800 1.800 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 8.515 ppm2 1.850 CV 1 ASSI { 291} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 40 and name HB )) 3.800 1.800 1.800 peak 291 spectrum 1 weight 0.10000E+01 volume 0.24912E-02 ppm1 8.515 ppm2 1.850 CV 1 ASSI { 292} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HG13)) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13691E-02 ppm1 8.515 ppm2 1.720 CV 1 ASSI { 292} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 40 and name HG13)) 3.800 1.800 1.800 peak 292 spectrum 1 weight 0.10000E+01 volume 0.13691E-02 ppm1 8.515 ppm2 1.720 CV 1 ASSI { 293} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 40 and name HD1%) 4.400 2.400 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 8.515 ppm2 0.768 CV 1 ASSI { 293} (( segid "B " and resid 39 and name HN )) ( segid "B " and resid 40 and name HD1%) 4.400 2.400 1.600 peak 293 spectrum 1 weight 0.10000E+01 volume 0.15146E-02 ppm1 8.515 ppm2 0.768 CV 1 ASSI { 294} (( segid "A " and resid 39 and name HN )) ( segid "A " and resid 40 and name HG2%) 4.600 2.600 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11914E-02 ppm1 8.515 ppm2 0.681 CV 1 ASSI { 294} (( segid "B " and resid 39 and name HN )) ( segid "B " and resid 40 and name HG2%) 4.600 2.600 1.400 peak 294 spectrum 1 weight 0.10000E+01 volume 0.11914E-02 ppm1 8.515 ppm2 0.681 CV 1 ASSI { 295} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HN )) 2.300 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.55267E-02 ppm1 8.515 ppm2 7.736 CV 1 ASSI { 295} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 40 and name HN )) 2.300 0.700 0.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.55267E-02 ppm1 8.515 ppm2 7.736 CV 1 ASSI { 296} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 37 and name HA )) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 8.515 ppm2 5.269 CV 1 ASSI { 296} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 37 and name HA )) 3.400 1.400 1.400 peak 296 spectrum 1 weight 0.10000E+01 volume 0.14659E-02 ppm1 8.515 ppm2 5.269 CV 1 ASSI { 297} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HA )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 8.515 ppm2 4.619 CV 1 ASSI { 297} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HA )) 3.000 1.100 1.100 peak 297 spectrum 1 weight 0.10000E+01 volume 0.15829E-02 ppm1 8.515 ppm2 4.619 CV 1 ASSI { 298} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HA )) 2.600 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44547E-02 ppm1 8.515 ppm2 4.490 CV 1 ASSI { 298} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 39 and name HA )) 2.600 0.900 0.900 peak 298 spectrum 1 weight 0.10000E+01 volume 0.44547E-02 ppm1 8.515 ppm2 4.490 CV 1 ASSI { 299} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HA )) 5.200 3.300 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35149E-03 ppm1 8.515 ppm2 4.295 CV 1 ASSI { 299} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 40 and name HA )) 5.200 3.300 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35149E-03 ppm1 8.515 ppm2 4.295 CV 1 ASSI { 300} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HD3 )) 3.600 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.19229E-02 ppm1 8.515 ppm2 3.840 CV 1 ASSI { 300} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HD3 )) 3.600 1.600 1.600 peak 300 spectrum 1 weight 0.10000E+01 volume 0.19229E-02 ppm1 8.515 ppm2 3.840 CV 1 ASSI { 301} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HD2 )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 8.515 ppm2 3.559 CV 1 ASSI { 301} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 38 and name HD2 )) 3.100 1.200 1.200 peak 301 spectrum 1 weight 0.10000E+01 volume 0.11238E-02 ppm1 8.515 ppm2 3.559 CV 1 ASSI { 302} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 37 and name HB3 )) 3.400 1.400 1.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.56393E-03 ppm1 8.515 ppm2 2.910 CV 1 ASSI { 302} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 37 and name HB3 )) 3.400 1.400 1.400 peak 302 spectrum 1 weight 0.10000E+01 volume 0.56393E-03 ppm1 8.515 ppm2 2.910 CV 1 ASSI { 303} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB2 )) 2.300 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.90080E-02 ppm1 8.515 ppm2 2.693 CV 1 OR { 303} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB3 )) ASSI { 303} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 39 and name HB2 )) 2.300 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.90080E-02 ppm1 8.515 ppm2 2.693 CV 1 OR { 303} (( segid "B " and resid 39 and name HN )) (( segid "B " and resid 39 and name HB3 )) ASSI { 305} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 88 and name HB2 )) 5.100 3.300 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.52028E-03 ppm1 8.742 ppm2 2.477 CV 1 ASSI { 305} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 88 and name HB2 )) 5.100 3.300 0.900 peak 305 spectrum 1 weight 0.10000E+01 volume 0.52028E-03 ppm1 8.742 ppm2 2.477 CV 1 ASSI { 308} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 42 and name HD2%) 4.800 2.900 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.51143E-03 ppm1 8.742 ppm2 0.378 CV 1 ASSI { 308} (( segid "B " and resid 45 and name HN )) ( segid "B " and resid 42 and name HD2%) 4.800 2.900 1.200 peak 308 spectrum 1 weight 0.10000E+01 volume 0.51143E-03 ppm1 8.742 ppm2 0.378 CV 1 ASSI { 310} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HA )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 8.742 ppm2 5.615 CV 1 ASSI { 310} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 45 and name HA )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.10504E-02 ppm1 8.742 ppm2 5.615 CV 1 ASSI { 311} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HA )) 2.500 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.32969E-02 ppm1 8.742 ppm2 5.139 CV 1 ASSI { 311} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 44 and name HA )) 2.500 0.800 0.800 peak 311 spectrum 1 weight 0.10000E+01 volume 0.32969E-02 ppm1 8.742 ppm2 5.139 CV 1 ASSI { 312} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 88 and name HB3 )) 3.900 1.900 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.76124E-03 ppm1 8.742 ppm2 2.823 CV 1 ASSI { 312} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 88 and name HB3 )) 3.900 1.900 1.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.76124E-03 ppm1 8.742 ppm2 2.823 CV 1 ASSI { 313} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 45 and name HG2%) 2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.25439E-02 ppm1 8.753 ppm2 0.681 CV 1 ASSI { 313} (( segid "B " and resid 45 and name HN )) ( segid "B " and resid 45 and name HG2%) 2.600 0.800 0.800 peak 313 spectrum 1 weight 0.10000E+01 volume 0.25439E-02 ppm1 8.753 ppm2 0.681 CV 1 ASSI { 314} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 51 and name HN )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.85837E-03 ppm1 8.958 ppm2 6.848 CV 1 ASSI { 314} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 51 and name HN )) 3.700 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.85837E-03 ppm1 8.958 ppm2 6.848 CV 1 ASSI { 315} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 47 and name HA )) 4.300 2.300 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.49846E-03 ppm1 8.969 ppm2 5.031 CV 1 ASSI { 315} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 47 and name HA )) 4.300 2.300 1.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.49846E-03 ppm1 8.969 ppm2 5.031 CV 1 ASSI { 316} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HA )) 3.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 8.969 ppm2 4.295 CV 1 ASSI { 316} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 49 and name HA )) 3.000 1.100 1.100 peak 316 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 8.969 ppm2 4.295 CV 1 ASSI { 318} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HD3 )) 4.200 2.200 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.77324E-03 ppm1 8.969 ppm2 3.970 CV 1 ASSI { 318} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 48 and name HD3 )) 4.200 2.200 1.800 peak 318 spectrum 1 weight 0.10000E+01 volume 0.77324E-03 ppm1 8.969 ppm2 3.970 CV 1 ASSI { 325} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.73297E-02 ppm1 7.195 ppm2 1.936 CV 1 ASSI { 325} (( segid "B " and resid 97 and name HN )) (( segid "B " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.73297E-02 ppm1 7.195 ppm2 1.936 CV 1 ASSI { 326} (( segid "A " and resid 97 and name HN )) ( segid "A " and resid 96 and name HB% ) 2.600 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.42895E-02 ppm1 7.195 ppm2 1.438 CV 1 ASSI { 326} (( segid "B " and resid 97 and name HN )) ( segid "B " and resid 96 and name HB% ) 2.600 0.900 0.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.42895E-02 ppm1 7.195 ppm2 1.438 CV 1 ASSI { 327} (( segid "A " and resid 97 and name HN )) ( segid "A " and resid 95 and name HB% ) 4.600 2.600 1.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.36180E-03 ppm1 7.195 ppm2 1.157 CV 1 ASSI { 327} (( segid "B " and resid 97 and name HN )) ( segid "B " and resid 95 and name HB% ) 4.600 2.600 1.400 peak 327 spectrum 1 weight 0.10000E+01 volume 0.36180E-03 ppm1 7.195 ppm2 1.157 CV 1 ASSI { 328} (( segid "A " and resid 97 and name HN )) ( segid "A " and resid 97 and name HD1%) 4.200 2.200 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 7.195 ppm2 1.006 CV 1 ASSI { 328} (( segid "B " and resid 97 and name HN )) ( segid "B " and resid 97 and name HD1%) 4.200 2.200 1.800 peak 328 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 7.195 ppm2 1.006 CV 1 ASSI { 329} (( segid "A " and resid 97 and name HN )) ( segid "A " and resid 97 and name HD2%) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26446E-02 ppm1 7.195 ppm2 0.724 CV 1 ASSI { 329} (( segid "B " and resid 97 and name HN )) ( segid "B " and resid 97 and name HD2%) 2.900 1.000 1.000 peak 329 spectrum 1 weight 0.10000E+01 volume 0.26446E-02 ppm1 7.195 ppm2 0.724 CV 1 ASSI { 332} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 98 and name HN )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.25679E-02 ppm1 7.195 ppm2 8.861 CV 1 ASSI { 332} (( segid "B " and resid 97 and name HN )) (( segid "B " and resid 98 and name HN )) 2.700 0.900 0.900 peak 332 spectrum 1 weight 0.10000E+01 volume 0.25679E-02 ppm1 7.195 ppm2 8.861 CV 1 ASSI { 333} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HA )) 2.600 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 7.195 ppm2 3.884 CV 1 ASSI { 333} (( segid "B " and resid 97 and name HN )) (( segid "B " and resid 97 and name HA )) 2.600 0.900 0.900 peak 333 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 7.195 ppm2 3.884 CV 1 ASSI { 334} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HB2 )) 2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.25463E-02 ppm1 7.205 ppm2 1.698 CV 1 ASSI { 334} (( segid "B " and resid 97 and name HN )) (( segid "B " and resid 97 and name HB2 )) 2.500 0.800 0.800 peak 334 spectrum 1 weight 0.10000E+01 volume 0.25463E-02 ppm1 7.205 ppm2 1.698 CV 1 ASSI { 336} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HA )) 3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12945E-02 ppm1 7.260 ppm2 3.819 CV 1 ASSI { 336} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 19 and name HA )) 3.500 1.600 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.12945E-02 ppm1 7.260 ppm2 3.819 CV 1 ASSI { 338} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB3 )) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.78572E-02 ppm1 7.606 ppm2 1.806 CV 1 ASSI { 338} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 73 and name HB3 )) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.78572E-02 ppm1 7.606 ppm2 1.806 CV 1 ASSI { 341} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB2 )) 2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.26110E-02 ppm1 7.606 ppm2 1.135 CV 1 ASSI { 341} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 73 and name HB2 )) 2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.26110E-02 ppm1 7.606 ppm2 1.135 CV 1 ASSI { 342} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HD2%) 3.400 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.20534E-02 ppm1 7.606 ppm2 0.811 CV 1 ASSI { 342} (( segid "B " and resid 73 and name HN )) ( segid "B " and resid 73 and name HD2%) 3.400 1.400 1.400 peak 342 spectrum 1 weight 0.10000E+01 volume 0.20534E-02 ppm1 7.606 ppm2 0.811 CV 1 ASSI { 343} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 73 and name HD1%) 4.100 2.100 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18675E-02 ppm1 7.606 ppm2 0.659 CV 1 ASSI { 343} (( segid "B " and resid 73 and name HN )) ( segid "B " and resid 73 and name HD1%) 4.100 2.100 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.18675E-02 ppm1 7.606 ppm2 0.659 CV 1 ASSI { 344} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HN )) 2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.48289E-02 ppm1 7.606 ppm2 7.714 CV 1 ASSI { 344} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 74 and name HN )) 2.400 0.700 0.700 peak 344 spectrum 1 weight 0.10000E+01 volume 0.48289E-02 ppm1 7.606 ppm2 7.714 CV 1 ASSI { 347} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HA )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 7.606 ppm2 4.035 CV 1 ASSI { 347} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 73 and name HA )) 2.500 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.32896E-02 ppm1 7.606 ppm2 4.035 CV 1 ASSI { 348} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HA )) 3.700 1.700 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 7.606 ppm2 3.473 CV 1 ASSI { 348} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 74 and name HA )) 3.700 1.700 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.14532E-02 ppm1 7.606 ppm2 3.473 CV 1 ASSI { 352} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HN )) 4.400 2.400 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.64281E-03 ppm1 7.260 ppm2 8.450 CV 1 ASSI { 352} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 19 and name HN )) 4.400 2.400 1.600 peak 352 spectrum 1 weight 0.10000E+01 volume 0.64281E-03 ppm1 7.260 ppm2 8.450 CV 1 ASSI { 353} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HB2 )) 4.000 2.000 2.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 7.260 ppm2 1.828 CV 1 OR { 353} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 19 and name HB3 )) ASSI { 353} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 19 and name HB2 )) 4.000 2.000 2.000 peak 353 spectrum 1 weight 0.10000E+01 volume 0.12228E-02 ppm1 7.260 ppm2 1.828 CV 1 OR { 353} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 19 and name HB3 )) ASSI { 354} (( segid "A " and resid 21 and name HN )) ( segid "A " and resid 20 and name HB% ) 2.700 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.60087E-02 ppm1 7.260 ppm2 1.482 CV 1 ASSI { 354} (( segid "B " and resid 21 and name HN )) ( segid "B " and resid 20 and name HB% ) 2.700 0.900 0.900 peak 354 spectrum 1 weight 0.10000E+01 volume 0.60087E-02 ppm1 7.260 ppm2 1.482 CV 1 ASSI { 355} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 22 and name HN )) 2.400 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.65697E-02 ppm1 7.260 ppm2 7.671 CV 1 ASSI { 355} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 22 and name HN )) 2.400 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.65697E-02 ppm1 7.260 ppm2 7.671 CV 1 ASSI { 356} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 20 and name HN )) 2.300 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.84732E-02 ppm1 7.260 ppm2 7.130 CV 1 ASSI { 356} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 20 and name HN )) 2.300 0.600 0.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.84732E-02 ppm1 7.260 ppm2 7.130 CV 1 ASSI { 357} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 21 and name HA )) 2.700 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.43445E-02 ppm1 7.260 ppm2 4.987 CV 1 ASSI { 357} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 21 and name HA )) 2.700 0.900 0.900 peak 357 spectrum 1 weight 0.10000E+01 volume 0.43445E-02 ppm1 7.260 ppm2 4.987 CV 1 ASSI { 358} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 20 and name HA )) 2.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.39920E-02 ppm1 7.260 ppm2 4.187 CV 1 ASSI { 358} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 20 and name HA )) 2.900 1.100 1.100 peak 358 spectrum 1 weight 0.10000E+01 volume 0.39920E-02 ppm1 7.260 ppm2 4.187 CV 1 ASSI { 359} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 21 and name HB3 )) 2.600 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.44501E-02 ppm1 7.260 ppm2 2.910 CV 1 ASSI { 359} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 21 and name HB3 )) 2.600 0.800 0.800 peak 359 spectrum 1 weight 0.10000E+01 volume 0.44501E-02 ppm1 7.260 ppm2 2.910 CV 1 ASSI { 362} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HB3 )) 4.200 2.200 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.63393E-03 ppm1 7.876 ppm2 2.131 CV 1 ASSI { 362} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 76 and name HB3 )) 4.200 2.200 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.63393E-03 ppm1 7.876 ppm2 2.131 CV 1 ASSI { 364} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HG3 )) 4.300 2.300 1.700 peak 364 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.876 ppm2 1.460 CV 1 ASSI { 364} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 76 and name HG3 )) 4.200 2.300 1.800 peak 364 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.876 ppm2 1.460 CV 1 ASSI { 368} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 78 and name HN )) 3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.87537E-03 ppm1 7.876 ppm2 8.947 CV 1 ASSI { 368} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 78 and name HN )) 3.200 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.87537E-03 ppm1 7.876 ppm2 8.947 CV 1 ASSI { 369} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HA )) 3.000 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.23727E-02 ppm1 7.876 ppm2 4.684 CV 1 ASSI { 369} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 76 and name HA )) 3.000 1.100 1.100 peak 369 spectrum 1 weight 0.10000E+01 volume 0.23727E-02 ppm1 7.876 ppm2 4.684 CV 1 ASSI { 371} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HA )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.39754E-02 ppm1 7.876 ppm2 4.078 CV 1 ASSI { 371} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 77 and name HA )) 2.700 0.900 0.900 peak 371 spectrum 1 weight 0.10000E+01 volume 0.39754E-02 ppm1 7.876 ppm2 4.078 CV 1 ASSI { 372} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 78 and name HA1 )) 4.600 2.700 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.67159E-03 ppm1 7.876 ppm2 3.797 CV 1 ASSI { 372} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 78 and name HA1 )) 4.600 2.700 1.400 peak 372 spectrum 1 weight 0.10000E+01 volume 0.67159E-03 ppm1 7.876 ppm2 3.797 CV 1 ASSI { 373} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HB2 )) 2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 7.876 ppm2 3.646 CV 1 OR { 373} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 77 and name HB3 )) ASSI { 373} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 77 and name HB2 )) 2.900 1.100 1.100 peak 373 spectrum 1 weight 0.10000E+01 volume 0.18800E-02 ppm1 7.876 ppm2 3.646 CV 1 OR { 373} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 77 and name HB3 )) ASSI { 374} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 74 and name HA )) 3.300 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 7.876 ppm2 3.494 CV 1 ASSI { 374} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 74 and name HA )) 3.300 1.300 1.300 peak 374 spectrum 1 weight 0.10000E+01 volume 0.13086E-02 ppm1 7.876 ppm2 3.494 CV 1 ASSI { 376} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HD2 )) 4.200 2.200 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 7.422 ppm2 3.559 CV 1 ASSI { 376} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 38 and name HD2 )) 4.200 2.200 1.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.12578E-02 ppm1 7.422 ppm2 3.559 CV 1 ASSI { 378} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HG2 )) 4.800 2.900 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.58096E-03 ppm1 7.433 ppm2 2.196 CV 1 OR { 378} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HG3 )) ASSI { 378} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 36 and name HG2 )) 4.800 2.900 1.200 peak 378 spectrum 1 weight 0.10000E+01 volume 0.58096E-03 ppm1 7.433 ppm2 2.196 CV 1 OR { 378} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 36 and name HG3 )) ASSI { 379} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB3 )) 3.300 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28699E-02 ppm1 7.433 ppm2 2.044 CV 1 ASSI { 379} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 36 and name HB3 )) 3.300 1.400 1.400 peak 379 spectrum 1 weight 0.10000E+01 volume 0.28699E-02 ppm1 7.433 ppm2 2.044 CV 1 ASSI { 380} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.50328E-02 ppm1 7.433 ppm2 1.936 CV 1 ASSI { 380} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 380 spectrum 1 weight 0.10000E+01 volume 0.50328E-02 ppm1 7.433 ppm2 1.936 CV 1 ASSI { 382} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HD22)) 3.500 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.45124E-02 ppm1 7.433 ppm2 8.233 CV 1 ASSI { 382} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 37 and name HD22)) 3.500 1.500 1.500 peak 382 spectrum 1 weight 0.10000E+01 volume 0.45124E-02 ppm1 7.433 ppm2 8.233 CV 1 ASSI { 384} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 35 and name HN )) 3.400 1.500 1.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.16987E-02 ppm1 7.433 ppm2 8.039 CV 1 ASSI { 384} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 35 and name HN )) 3.400 1.500 1.500 peak 384 spectrum 1 weight 0.10000E+01 volume 0.16987E-02 ppm1 7.433 ppm2 8.039 CV 1 ASSI { 385} (( segid "A " and resid 37 and name HN )) ( segid "A " and resid 33 and name HD1%) 4.200 2.200 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.72409E-03 ppm1 7.433 ppm2 0.551 CV 1 ASSI { 385} (( segid "B " and resid 37 and name HN )) ( segid "B " and resid 33 and name HD1%) 4.200 2.200 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.72409E-03 ppm1 7.433 ppm2 0.551 CV 1 ASSI { 388} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HA )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 7.433 ppm2 5.269 CV 1 ASSI { 388} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 37 and name HA )) 2.700 0.900 0.900 peak 388 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 7.433 ppm2 5.269 CV 1 ASSI { 389} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HA )) 3.900 1.900 1.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.47642E-03 ppm1 7.433 ppm2 4.619 CV 1 ASSI { 389} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 38 and name HA )) 3.900 1.900 1.900 peak 389 spectrum 1 weight 0.10000E+01 volume 0.47642E-03 ppm1 7.433 ppm2 4.619 CV 1 ASSI { 390} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HA )) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.23742E-02 ppm1 7.433 ppm2 4.143 CV 1 ASSI { 390} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 36 and name HA )) 3.000 1.100 1.100 peak 390 spectrum 1 weight 0.10000E+01 volume 0.23742E-02 ppm1 7.433 ppm2 4.143 CV 1 ASSI { 392} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB3 )) 3.200 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.40521E-02 ppm1 7.433 ppm2 2.888 CV 1 ASSI { 392} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 37 and name HB3 )) 3.200 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.40521E-02 ppm1 7.433 ppm2 2.888 CV 1 ASSI { 393} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB2 )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.30164E-02 ppm1 7.433 ppm2 2.607 CV 1 ASSI { 393} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 37 and name HB2 )) 2.600 0.900 0.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.30164E-02 ppm1 7.433 ppm2 2.607 CV 1 ASSI { 394} (( segid "A " and resid 37 and name HD21)) (( segid "A " and resid 37 and name HB3 )) 3.500 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 7.476 ppm2 2.888 CV 1 ASSI { 394} (( segid "B " and resid 37 and name HD21)) (( segid "B " and resid 37 and name HB3 )) 3.500 1.500 1.500 peak 394 spectrum 1 weight 0.10000E+01 volume 0.22061E-02 ppm1 7.476 ppm2 2.888 CV 1 ASSI { 395} (( segid "A " and resid 37 and name HD21)) (( segid "A " and resid 37 and name HB2 )) 2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 7.476 ppm2 2.629 CV 1 ASSI { 395} (( segid "B " and resid 37 and name HD21)) (( segid "B " and resid 37 and name HB2 )) 2.600 0.900 0.900 peak 395 spectrum 1 weight 0.10000E+01 volume 0.15525E-02 ppm1 7.476 ppm2 2.629 CV 1 ASSI { 397} (( segid "A " and resid 37 and name HD21)) (( segid "A " and resid 33 and name HG )) 4.400 2.500 1.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.73273E-03 ppm1 7.487 ppm2 1.200 CV 1 ASSI { 397} (( segid "B " and resid 37 and name HD21)) (( segid "B " and resid 33 and name HG )) 4.400 2.500 1.600 peak 397 spectrum 1 weight 0.10000E+01 volume 0.73273E-03 ppm1 7.487 ppm2 1.200 CV 1 ASSI { 398} (( segid "A " and resid 37 and name HD21)) ( segid "A " and resid 33 and name HD1%) 3.900 1.900 1.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 7.487 ppm2 0.551 CV 1 ASSI { 398} (( segid "B " and resid 37 and name HD21)) ( segid "B " and resid 33 and name HD1%) 3.900 1.900 1.900 peak 398 spectrum 1 weight 0.10000E+01 volume 0.16031E-02 ppm1 7.487 ppm2 0.551 CV 1 ASSI { 399} (( segid "A " and resid 37 and name HD21)) (( segid "A " and resid 33 and name HA )) 2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 7.487 ppm2 3.884 CV 1 ASSI { 399} (( segid "B " and resid 37 and name HD21)) (( segid "B " and resid 33 and name HA )) 2.800 1.000 1.000 peak 399 spectrum 1 weight 0.10000E+01 volume 0.18366E-02 ppm1 7.487 ppm2 3.884 CV 1 ASSI { 400} (( segid "A " and resid 37 and name HD22)) ( segid "A " and resid 40 and name HD1%) 4.100 2.100 1.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.75166E-03 ppm1 8.233 ppm2 0.789 CV 1 ASSI { 400} (( segid "B " and resid 37 and name HD22)) ( segid "B " and resid 40 and name HD1%) 4.100 2.100 1.900 peak 400 spectrum 1 weight 0.10000E+01 volume 0.75166E-03 ppm1 8.233 ppm2 0.789 CV 1 ASSI { 401} (( segid "A " and resid 37 and name HD22)) (( segid "A " and resid 33 and name HA )) 4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 8.233 ppm2 3.884 CV 1 ASSI { 401} (( segid "B " and resid 37 and name HD22)) (( segid "B " and resid 33 and name HA )) 4.100 2.100 1.900 peak 401 spectrum 1 weight 0.10000E+01 volume 0.14175E-02 ppm1 8.233 ppm2 3.884 CV 1 ASSI { 402} (( segid "A " and resid 37 and name HD22)) (( segid "A " and resid 37 and name HB3 )) 4.200 2.200 1.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 8.233 ppm2 2.910 CV 1 ASSI { 402} (( segid "B " and resid 37 and name HD22)) (( segid "B " and resid 37 and name HB3 )) 4.200 2.200 1.800 peak 402 spectrum 1 weight 0.10000E+01 volume 0.12504E-02 ppm1 8.233 ppm2 2.910 CV 1 ASSI { 403} (( segid "A " and resid 37 and name HD22)) (( segid "A " and resid 37 and name HB2 )) 4.400 2.400 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.80178E-03 ppm1 8.233 ppm2 2.629 CV 1 ASSI { 403} (( segid "B " and resid 37 and name HD22)) (( segid "B " and resid 37 and name HB2 )) 4.400 2.400 1.600 peak 403 spectrum 1 weight 0.10000E+01 volume 0.80178E-03 ppm1 8.233 ppm2 2.629 CV 1 ASSI { 404} (( segid "A " and resid 37 and name HD22)) ( segid "A " and resid 33 and name HD1%) 4.700 2.700 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 8.244 ppm2 0.551 CV 1 ASSI { 404} (( segid "B " and resid 37 and name HD22)) ( segid "B " and resid 33 and name HD1%) 4.700 2.700 1.300 peak 404 spectrum 1 weight 0.10000E+01 volume 0.11768E-02 ppm1 8.244 ppm2 0.551 CV 1 ASSI { 405} (( segid "A " and resid 37 and name HD21)) (( segid "A " and resid 37 and name HD22)) 2.000 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.84302E-02 ppm1 7.487 ppm2 8.233 CV 1 ASSI { 405} (( segid "B " and resid 37 and name HD21)) (( segid "B " and resid 37 and name HD22)) 2.000 0.500 0.500 peak 405 spectrum 1 weight 0.10000E+01 volume 0.84302E-02 ppm1 7.487 ppm2 8.233 CV 1 ASSI { 408} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 20 and name HN )) 3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14547E-02 ppm1 7.682 ppm2 7.130 CV 1 ASSI { 408} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 20 and name HN )) 3.500 1.500 1.500 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14547E-02 ppm1 7.682 ppm2 7.130 CV 1 ASSI { 410} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 24 and name HN )) 4.300 2.300 1.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.45771E-03 ppm1 7.682 ppm2 8.839 CV 1 ASSI { 410} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 24 and name HN )) 4.300 2.300 1.700 peak 410 spectrum 1 weight 0.10000E+01 volume 0.45771E-03 ppm1 7.682 ppm2 8.839 CV 1 ASSI { 412} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HB3 )) 2.800 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.34263E-02 ppm1 7.692 ppm2 1.979 CV 1 ASSI { 412} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HB3 )) 2.800 1.000 1.000 peak 412 spectrum 1 weight 0.10000E+01 volume 0.34263E-02 ppm1 7.692 ppm2 1.979 CV 1 ASSI { 413} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 413 spectrum 1 weight 0.10000E+01 volume 0.30738E-02 ppm1 7.692 ppm2 1.893 CV 1 ASSI { 413} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 413 spectrum 1 weight 0.10000E+01 volume 0.30738E-02 ppm1 7.692 ppm2 1.893 CV 1 ASSI { 414} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 20 and name HB% ) 4.100 2.100 1.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.94084E-03 ppm1 7.692 ppm2 1.482 CV 1 ASSI { 414} (( segid "B " and resid 22 and name HN )) ( segid "B " and resid 20 and name HB% ) 4.100 2.100 1.900 peak 414 spectrum 1 weight 0.10000E+01 volume 0.94084E-03 ppm1 7.692 ppm2 1.482 CV 1 ASSI { 418} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 21 and name HA )) 2.800 1.000 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.40255E-02 ppm1 7.692 ppm2 4.987 CV 1 ASSI { 418} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 21 and name HA )) 2.800 1.000 1.000 peak 418 spectrum 1 weight 0.10000E+01 volume 0.40255E-02 ppm1 7.692 ppm2 4.987 CV 1 ASSI { 419} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HA )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.34837E-02 ppm1 7.692 ppm2 4.814 CV 1 ASSI { 419} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HA )) 2.700 0.900 0.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.34837E-02 ppm1 7.692 ppm2 4.814 CV 1 ASSI { 420} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 20 and name HA )) 3.400 1.400 1.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 7.692 ppm2 4.187 CV 1 ASSI { 420} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 20 and name HA )) 3.400 1.400 1.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.11686E-02 ppm1 7.692 ppm2 4.187 CV 1 ASSI { 423} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HG2 )) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.15578E-02 ppm1 7.692 ppm2 2.520 CV 1 OR { 423} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 22 and name HG3 )) ASSI { 423} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HG2 )) 2.900 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.15578E-02 ppm1 7.692 ppm2 2.520 CV 1 OR { 423} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 22 and name HG3 )) ASSI { 426} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HN )) 3.600 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41311E-03 ppm1 8.536 ppm2 9.965 CV 1 ASSI { 426} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HN )) 3.600 1.600 1.600 peak 426 spectrum 1 weight 0.10000E+01 volume 0.41311E-03 ppm1 8.536 ppm2 9.965 CV 1 ASSI { 428} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HG2 )) 3.900 1.900 1.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.99527E-03 ppm1 8.547 ppm2 2.088 CV 1 ASSI { 428} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HG2 )) 3.900 1.900 1.900 peak 428 spectrum 1 weight 0.10000E+01 volume 0.99527E-03 ppm1 8.547 ppm2 2.088 CV 1 ASSI { 432} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HA )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.50160E-02 ppm1 8.547 ppm2 3.840 CV 1 ASSI { 432} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HA )) 2.600 0.800 0.800 peak 432 spectrum 1 weight 0.10000E+01 volume 0.50160E-02 ppm1 8.547 ppm2 3.840 CV 1 ASSI { 436} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HG3 )) 2.200 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.84543E-02 ppm1 8.039 ppm2 1.958 CV 1 ASSI { 436} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 35 and name HG3 )) 2.200 0.600 0.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.84543E-02 ppm1 8.039 ppm2 1.958 CV 1 ASSI { 438} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21778E-02 ppm1 8.039 ppm2 1.633 CV 1 ASSI { 438} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HB2 )) 2.600 0.800 0.800 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21778E-02 ppm1 8.039 ppm2 1.633 CV 1 ASSI { 443} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 32 and name HN )) 3.800 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.76005E-03 ppm1 8.039 ppm2 7.671 CV 1 ASSI { 443} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HN )) 3.800 1.800 1.800 peak 443 spectrum 1 weight 0.10000E+01 volume 0.76005E-03 ppm1 8.039 ppm2 7.671 CV 1 ASSI { 445} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HA )) 4.400 2.500 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.92454E-03 ppm1 8.039 ppm2 4.143 CV 1 ASSI { 445} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 36 and name HA )) 4.400 2.500 1.600 peak 445 spectrum 1 weight 0.10000E+01 volume 0.92454E-03 ppm1 8.039 ppm2 4.143 CV 1 ASSI { 448} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.200 0.600 0.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10617E-01 ppm1 6.913 ppm2 1.806 CV 1 OR { 448} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB3 )) ASSI { 448} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HB2 )) 2.200 0.600 0.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.10617E-01 ppm1 6.913 ppm2 1.806 CV 1 OR { 448} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HB3 )) ASSI { 449} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HD2 )) 4.600 2.700 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 6.913 ppm2 1.633 CV 1 OR { 449} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HD3 )) ASSI { 449} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HD2 )) 4.600 2.700 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.12027E-02 ppm1 6.913 ppm2 1.633 CV 1 OR { 449} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HD3 )) ASSI { 452} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 51 and name HD1%) 4.400 2.400 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.97729E-03 ppm1 6.913 ppm2 0.335 CV 1 ASSI { 452} (( segid "B " and resid 52 and name HN )) ( segid "B " and resid 51 and name HD1%) 4.400 2.400 1.600 peak 452 spectrum 1 weight 0.10000E+01 volume 0.97729E-03 ppm1 6.913 ppm2 0.335 CV 1 ASSI { 453} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 53 and name HN )) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.43637E-02 ppm1 6.913 ppm2 7.541 CV 1 ASSI { 453} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 53 and name HN )) 2.500 0.800 0.800 peak 453 spectrum 1 weight 0.10000E+01 volume 0.43637E-02 ppm1 6.913 ppm2 7.541 CV 1 ASSI { 454} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 49 and name HA )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20404E-02 ppm1 6.913 ppm2 4.295 CV 1 ASSI { 454} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 49 and name HA )) 3.100 1.200 1.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.20404E-02 ppm1 6.913 ppm2 4.295 CV 1 ASSI { 456} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HA )) 2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.46730E-02 ppm1 6.913 ppm2 4.014 CV 1 ASSI { 456} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HA )) 2.600 0.900 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.46730E-02 ppm1 6.913 ppm2 4.014 CV 1 ASSI { 457} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HA )) 3.300 1.400 1.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 6.913 ppm2 3.797 CV 1 ASSI { 457} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 51 and name HA )) 3.300 1.400 1.400 peak 457 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 6.913 ppm2 3.797 CV 1 ASSI { 459} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 54 and name HN )) 4.000 2.000 2.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.75862E-03 ppm1 6.924 ppm2 8.298 CV 1 ASSI { 459} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 54 and name HN )) 4.000 2.000 2.000 peak 459 spectrum 1 weight 0.10000E+01 volume 0.75862E-03 ppm1 6.924 ppm2 8.298 CV 1 ASSI { 460} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 51 and name HD2%) 4.400 2.500 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.98401E-03 ppm1 6.924 ppm2 0.248 CV 1 ASSI { 460} (( segid "B " and resid 52 and name HN )) ( segid "B " and resid 51 and name HD2%) 4.400 2.500 1.600 peak 460 spectrum 1 weight 0.10000E+01 volume 0.98401E-03 ppm1 6.924 ppm2 0.248 CV 1 ASSI { 461} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 50 and name HN )) 3.800 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.88761E-03 ppm1 6.924 ppm2 7.433 CV 1 ASSI { 461} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 50 and name HN )) 3.700 1.800 1.800 peak 461 spectrum 1 weight 0.10000E+01 volume 0.88761E-03 ppm1 6.924 ppm2 7.433 CV 1 ASSI { 464} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HN )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 7.130 ppm2 8.450 CV 1 ASSI { 464} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HN )) 2.500 0.800 0.800 peak 464 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 7.130 ppm2 8.450 CV 1 ASSI { 465} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.44404E-02 ppm1 7.130 ppm2 1.828 CV 1 OR { 465} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HB2 )) ASSI { 465} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HB3 )) 3.100 1.200 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.44404E-02 ppm1 7.130 ppm2 1.828 CV 1 OR { 465} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HB2 )) ASSI { 473} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 21 and name HA )) 4.900 3.000 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.47737E-03 ppm1 7.130 ppm2 4.987 CV 1 ASSI { 473} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 21 and name HA )) 4.900 3.000 1.100 peak 473 spectrum 1 weight 0.10000E+01 volume 0.47737E-03 ppm1 7.130 ppm2 4.987 CV 1 ASSI { 474} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 20 and name HA )) 2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.69027E-02 ppm1 7.130 ppm2 4.187 CV 1 ASSI { 474} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 20 and name HA )) 2.500 0.800 0.800 peak 474 spectrum 1 weight 0.10000E+01 volume 0.69027E-02 ppm1 7.130 ppm2 4.187 CV 1 ASSI { 476} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 19 and name HA )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 7.130 ppm2 3.797 CV 1 ASSI { 476} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 19 and name HA )) 3.100 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.17256E-02 ppm1 7.130 ppm2 3.797 CV 1 ASSI { 478} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HB3 )) 2.400 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.69174E-02 ppm1 8.461 ppm2 1.828 CV 1 OR { 478} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HB2 )) ASSI { 478} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 19 and name HB3 )) 2.400 0.700 0.700 peak 478 spectrum 1 weight 0.10000E+01 volume 0.69174E-02 ppm1 8.461 ppm2 1.828 CV 1 OR { 478} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 19 and name HB2 )) ASSI { 481} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 18 and name HB% ) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.66247E-02 ppm1 8.461 ppm2 1.417 CV 1 ASSI { 481} (( segid "B " and resid 19 and name HN )) ( segid "B " and resid 18 and name HB% ) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.66247E-02 ppm1 8.461 ppm2 1.417 CV 1 ASSI { 484} (( segid "A " and resid 19 and name HN )) ( segid "A " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.84854E-03 ppm1 8.461 ppm2 0.768 CV 1 ASSI { 484} (( segid "B " and resid 19 and name HN )) ( segid "B " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.84854E-03 ppm1 8.461 ppm2 0.768 CV 1 ASSI { 488} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 18 and name HA )) 3.200 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 8.461 ppm2 4.122 CV 1 ASSI { 488} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 18 and name HA )) 3.200 1.300 1.300 peak 488 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 8.461 ppm2 4.122 CV 1 ASSI { 489} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 19 and name HA )) 2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.36971E-02 ppm1 8.461 ppm2 3.797 CV 1 ASSI { 489} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 19 and name HA )) 2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.36971E-02 ppm1 8.461 ppm2 3.797 CV 1 ASSI { 490} (( segid "A " and resid 19 and name HN )) (( segid "A " and resid 15 and name HA )) 4.700 2.700 1.300 peak 490 spectrum 1 weight 0.10000E+01 volume 0.33399E-03 ppm1 8.461 ppm2 3.256 CV 1 ASSI { 490} (( segid "B " and resid 19 and name HN )) (( segid "B " and resid 15 and name HA )) 4.600 2.700 1.400 peak 490 spectrum 1 weight 0.10000E+01 volume 0.33399E-03 ppm1 8.461 ppm2 3.256 CV 1 ASSI { 491} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HG3 )) 4.400 2.400 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 7.649 ppm2 2.174 CV 1 ASSI { 491} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 65 and name HG3 )) 4.400 2.400 1.600 peak 491 spectrum 1 weight 0.10000E+01 volume 0.13381E-02 ppm1 7.649 ppm2 2.174 CV 1 ASSI { 494} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HB2 )) 3.900 1.900 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13074E-02 ppm1 7.649 ppm2 1.352 CV 1 ASSI { 494} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 65 and name HB2 )) 3.900 1.900 1.900 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13074E-02 ppm1 7.649 ppm2 1.352 CV 1 ASSI { 496} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HN )) 3.700 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 7.649 ppm2 7.974 CV 1 ASSI { 496} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 65 and name HN )) 3.700 1.700 1.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13094E-02 ppm1 7.649 ppm2 7.974 CV 1 ASSI { 498} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 7.649 ppm2 4.187 CV 1 OR { 498} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HB3 )) ASSI { 498} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 66 and name HB2 )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.27933E-02 ppm1 7.649 ppm2 4.187 CV 1 OR { 498} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 66 and name HB3 )) ASSI { 501} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 64 and name HD2 )) 4.700 2.700 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.31025E-03 ppm1 7.660 ppm2 7.000 CV 1 ASSI { 501} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 64 and name HD2 )) 4.700 2.700 1.300 peak 501 spectrum 1 weight 0.10000E+01 volume 0.31025E-03 ppm1 7.660 ppm2 7.000 CV 1 ASSI { 506} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 83 and name HA )) 4.700 2.700 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.47233E-03 ppm1 8.309 ppm2 4.879 CV 1 ASSI { 506} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 83 and name HA )) 4.700 2.700 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.47233E-03 ppm1 8.309 ppm2 4.879 CV 1 ASSI { 507} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HG3 )) 2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 8.320 ppm2 2.347 CV 1 ASSI { 507} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 82 and name HG3 )) 2.700 0.900 0.900 peak 507 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 8.320 ppm2 2.347 CV 1 ASSI { 508} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HB3 )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.72769E-02 ppm1 8.320 ppm2 2.131 CV 1 OR { 508} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HG2 )) ASSI { 508} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 82 and name HB3 )) 3.000 1.100 1.100 peak 508 spectrum 1 weight 0.10000E+01 volume 0.72769E-02 ppm1 8.320 ppm2 2.131 CV 1 OR { 508} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 82 and name HG2 )) ASSI { 509} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HB2 )) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.66918E-02 ppm1 8.320 ppm2 1.914 CV 1 ASSI { 509} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 82 and name HB2 )) 2.400 0.700 0.700 peak 509 spectrum 1 weight 0.10000E+01 volume 0.66918E-02 ppm1 8.320 ppm2 1.914 CV 1 ASSI { 511} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 83 and name HG3 )) 4.700 2.800 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.57880E-03 ppm1 8.320 ppm2 1.525 CV 1 ASSI { 511} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 83 and name HG3 )) 4.700 2.800 1.300 peak 511 spectrum 1 weight 0.10000E+01 volume 0.57880E-03 ppm1 8.320 ppm2 1.525 CV 1 ASSI { 512} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 83 and name HG2 )) 4.100 2.100 1.900 peak 512 spectrum 1 weight 0.10000E+01 volume 0.65001E-03 ppm1 8.320 ppm2 1.373 CV 1 ASSI { 512} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 83 and name HG2 )) 4.000 2.000 2.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.65001E-03 ppm1 8.320 ppm2 1.373 CV 1 ASSI { 513} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HB2 )) 4.300 2.300 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.32920E-03 ppm1 8.320 ppm2 0.897 CV 1 ASSI { 513} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 81 and name HB2 )) 4.300 2.300 1.700 peak 513 spectrum 1 weight 0.10000E+01 volume 0.32920E-03 ppm1 8.320 ppm2 0.897 CV 1 ASSI { 515} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 80 and name HA )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.88306E-03 ppm1 8.320 ppm2 5.009 CV 1 ASSI { 515} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 80 and name HA )) 3.900 1.900 1.900 peak 515 spectrum 1 weight 0.10000E+01 volume 0.88306E-03 ppm1 8.320 ppm2 5.009 CV 1 ASSI { 517} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HD2 )) 3.200 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.84207E-03 ppm1 8.320 ppm2 3.689 CV 1 ASSI { 517} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 81 and name HD2 )) 3.200 1.300 1.300 peak 517 spectrum 1 weight 0.10000E+01 volume 0.84207E-03 ppm1 8.320 ppm2 3.689 CV 1 ASSI { 518} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HA )) 3.400 1.400 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.88282E-03 ppm1 8.320 ppm2 3.559 CV 1 ASSI { 518} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 81 and name HA )) 3.400 1.400 1.400 peak 518 spectrum 1 weight 0.10000E+01 volume 0.88282E-03 ppm1 8.320 ppm2 3.559 CV 1 ASSI { 519} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 80 and name HB3 )) 3.400 1.400 1.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.52150E-03 ppm1 8.331 ppm2 2.910 CV 1 ASSI { 519} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 80 and name HB3 )) 3.400 1.400 1.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.52150E-03 ppm1 8.331 ppm2 2.910 CV 1 ASSI { 521} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 25 and name HB3 )) 4.100 2.100 1.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 8.774 ppm2 1.806 CV 1 ASSI { 521} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 25 and name HB3 )) 4.100 2.100 1.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.12849E-02 ppm1 8.774 ppm2 1.806 CV 1 ASSI { 522} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 40 and name HG2%) 4.100 2.100 1.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 7.974 ppm2 0.681 CV 1 ASSI { 522} (( segid "B " and resid 34 and name HN )) ( segid "B " and resid 40 and name HG2%) 4.100 2.100 1.900 peak 522 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 7.974 ppm2 0.681 CV 1 ASSI { 526} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HB2 )) 2.300 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 7.985 ppm2 1.633 CV 1 ASSI { 526} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HB2 )) 2.300 0.700 0.700 peak 526 spectrum 1 weight 0.10000E+01 volume 0.34120E-02 ppm1 7.985 ppm2 1.633 CV 1 ASSI { 527} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HB2 )) 3.300 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 7.985 ppm2 1.438 CV 1 ASSI { 527} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HB2 )) 3.300 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12957E-02 ppm1 7.985 ppm2 1.438 CV 1 ASSI { 528} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HG )) 3.700 1.700 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.57782E-03 ppm1 7.985 ppm2 1.222 CV 1 ASSI { 528} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HG )) 3.700 1.700 1.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.57782E-03 ppm1 7.985 ppm2 1.222 CV 1 ASSI { 529} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 34 and name HD1%) 3.700 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.20955E-02 ppm1 7.985 ppm2 0.941 CV 1 ASSI { 529} (( segid "B " and resid 34 and name HN )) ( segid "B " and resid 34 and name HD1%) 3.700 1.700 1.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.20955E-02 ppm1 7.985 ppm2 0.941 CV 1 ASSI { 532} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 33 and name HD2%) 4.800 2.800 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.79842E-03 ppm1 7.985 ppm2 0.053 CV 1 ASSI { 532} (( segid "B " and resid 34 and name HN )) ( segid "B " and resid 33 and name HD2%) 4.800 2.800 1.200 peak 532 spectrum 1 weight 0.10000E+01 volume 0.79842E-03 ppm1 7.985 ppm2 0.053 CV 1 ASSI { 533} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HN )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.33974E-02 ppm1 7.985 ppm2 7.844 CV 1 ASSI { 533} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HN )) 2.500 0.800 0.800 peak 533 spectrum 1 weight 0.10000E+01 volume 0.33974E-02 ppm1 7.985 ppm2 7.844 CV 1 ASSI { 534} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 30 and name HA )) 3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 7.985 ppm2 3.949 CV 1 ASSI { 534} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 30 and name HA )) 3.600 1.600 1.600 peak 534 spectrum 1 weight 0.10000E+01 volume 0.14079E-02 ppm1 7.985 ppm2 3.949 CV 1 ASSI { 537} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 7 and name HA )) 3.200 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.14738E-02 ppm1 8.396 ppm2 4.966 CV 1 ASSI { 537} (( segid "B " and resid 10 and name HN )) (( segid "B " and resid 7 and name HA )) 3.200 1.300 1.300 peak 537 spectrum 1 weight 0.10000E+01 volume 0.14738E-02 ppm1 8.396 ppm2 4.966 CV 1 ASSI { 538} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 10 and name HB )) 2.700 0.900 0.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.46082E-02 ppm1 8.396 ppm2 4.295 CV 1 ASSI { 538} (( segid "B " and resid 10 and name HN )) (( segid "B " and resid 10 and name HB )) 2.700 0.900 0.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.46082E-02 ppm1 8.396 ppm2 4.295 CV 1 ASSI { 539} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 9 and name HA )) 3.200 1.300 1.300 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 8.396 ppm2 4.122 CV 1 ASSI { 539} (( segid "B " and resid 10 and name HN )) (( segid "B " and resid 9 and name HA )) 3.200 1.300 1.300 peak 539 spectrum 1 weight 0.10000E+01 volume 0.20011E-02 ppm1 8.396 ppm2 4.122 CV 1 ASSI { 541} (( segid "A " and resid 10 and name HN )) ( segid "A " and resid 9 and name HB% ) 2.600 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.55890E-02 ppm1 8.406 ppm2 1.611 CV 1 ASSI { 541} (( segid "B " and resid 10 and name HN )) ( segid "B " and resid 9 and name HB% ) 2.600 0.900 0.900 peak 541 spectrum 1 weight 0.10000E+01 volume 0.55890E-02 ppm1 8.406 ppm2 1.611 CV 1 ASSI { 542} (( segid "A " and resid 10 and name HN )) ( segid "A " and resid 10 and name HG2%) 3.900 1.900 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.23485E-02 ppm1 8.406 ppm2 0.486 CV 1 ASSI { 542} (( segid "B " and resid 10 and name HN )) ( segid "B " and resid 10 and name HG2%) 3.900 1.900 1.900 peak 542 spectrum 1 weight 0.10000E+01 volume 0.23485E-02 ppm1 8.406 ppm2 0.486 CV 1 ASSI { 543} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 10 and name HA )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.34623E-02 ppm1 8.406 ppm2 3.884 CV 1 ASSI { 543} (( segid "B " and resid 10 and name HN )) (( segid "B " and resid 10 and name HA )) 2.700 0.900 0.900 peak 543 spectrum 1 weight 0.10000E+01 volume 0.34623E-02 ppm1 8.406 ppm2 3.884 CV 1 ASSI { 545} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 125 and name HD2%) 4.500 2.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.49657E-03 ppm1 8.774 ppm2 0.118 CV 1 ASSI { 545} (( segid "B " and resid 31 and name HN )) ( segid "B " and resid 125 and name HD2%) 4.500 2.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.49657E-03 ppm1 8.774 ppm2 0.118 CV 1 ASSI { 546} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 125 and name HD1%) 3.700 1.700 1.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 8.774 ppm2 -0.206 CV 1 ASSI { 546} (( segid "B " and resid 31 and name HN )) ( segid "B " and resid 125 and name HD1%) 3.700 1.700 1.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.10811E-02 ppm1 8.774 ppm2 -0.206 CV 1 ASSI { 547} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HN )) 2.700 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.27286E-02 ppm1 8.774 ppm2 7.671 CV 1 ASSI { 547} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 32 and name HN )) 2.700 0.900 0.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.27286E-02 ppm1 8.774 ppm2 7.671 CV 1 ASSI { 548} (( segid "A " and resid 31 and name HN )) ( segid "A " and resid 31 and name HD% ) 3.700 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 8.774 ppm2 7.086 CV 1 ASSI { 548} (( segid "B " and resid 31 and name HN )) ( segid "B " and resid 31 and name HD% ) 3.700 1.700 1.700 peak 548 spectrum 1 weight 0.10000E+01 volume 0.30042E-02 ppm1 8.774 ppm2 7.086 CV 1 ASSI { 550} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HN )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.23113E-02 ppm1 8.774 ppm2 9.056 CV 1 ASSI { 550} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HN )) 2.800 1.000 1.000 peak 550 spectrum 1 weight 0.10000E+01 volume 0.23113E-02 ppm1 8.774 ppm2 9.056 CV 1 ASSI { 552} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HA )) 2.600 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.28677E-02 ppm1 8.774 ppm2 4.100 CV 1 ASSI { 552} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HA )) 2.600 0.900 0.900 peak 552 spectrum 1 weight 0.10000E+01 volume 0.28677E-02 ppm1 8.774 ppm2 4.100 CV 1 ASSI { 553} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HA )) 3.500 1.600 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.98950E-03 ppm1 8.774 ppm2 3.949 CV 1 ASSI { 553} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 30 and name HA )) 3.500 1.600 1.600 peak 553 spectrum 1 weight 0.10000E+01 volume 0.98950E-03 ppm1 8.774 ppm2 3.949 CV 1 ASSI { 555} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB3 )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.38842E-02 ppm1 8.774 ppm2 2.867 CV 1 ASSI { 555} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HB3 )) 2.600 0.800 0.800 peak 555 spectrum 1 weight 0.10000E+01 volume 0.38842E-02 ppm1 8.774 ppm2 2.867 CV 1 ASSI { 556} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.39489E-02 ppm1 8.774 ppm2 2.737 CV 1 ASSI { 556} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 556 spectrum 1 weight 0.10000E+01 volume 0.39489E-02 ppm1 8.774 ppm2 2.737 CV 1 ASSI { 559} (( segid "A " and resid 10 and name HN )) ( segid "B " and resid 105 and name HE% ) 4.300 2.400 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.76606E-03 ppm1 8.406 ppm2 6.978 CV 1 ASSI { 559} (( segid "B " and resid 10 and name HN )) ( segid "A " and resid 105 and name HE% ) 4.300 2.400 1.700 peak 559 spectrum 1 weight 0.10000E+01 volume 0.76606E-03 ppm1 8.406 ppm2 6.978 CV 1 ASSI { 560} (( segid "A " and resid 10 and name HN )) (( segid "A " and resid 12 and name HN )) 3.800 1.800 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.67159E-03 ppm1 8.406 ppm2 8.774 CV 1 ASSI { 560} (( segid "B " and resid 10 and name HN )) (( segid "B " and resid 12 and name HN )) 3.800 1.800 1.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.67159E-03 ppm1 8.406 ppm2 8.774 CV 1 ASSI { 561} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HB3 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.53396E-02 ppm1 8.785 ppm2 1.828 CV 1 ASSI { 561} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HB3 )) 2.400 0.700 0.700 peak 561 spectrum 1 weight 0.10000E+01 volume 0.53396E-02 ppm1 8.785 ppm2 1.828 CV 1 ASSI { 562} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HB2 )) 2.300 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.81808E-02 ppm1 8.785 ppm2 1.720 CV 1 ASSI { 562} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HB2 )) 2.300 0.600 0.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.81808E-02 ppm1 8.785 ppm2 1.720 CV 1 ASSI { 563} (( segid "A " and resid 12 and name HN )) ( segid "A " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 8.785 ppm2 7.368 CV 1 ASSI { 563} (( segid "B " and resid 12 and name HN )) ( segid "B " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.15017E-02 ppm1 8.785 ppm2 7.368 CV 1 ASSI { 566} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HB3 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 8.785 ppm2 3.581 CV 1 ASSI { 566} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 11 and name HB3 )) 3.000 1.100 1.100 peak 566 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 8.785 ppm2 3.581 CV 1 ASSI { 567} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HA )) 2.600 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 8.785 ppm2 3.408 CV 1 ASSI { 567} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HA )) 2.600 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.42462E-02 ppm1 8.785 ppm2 3.408 CV 1 ASSI { 568} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HD3 )) 3.200 1.300 1.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.51741E-02 ppm1 8.796 ppm2 1.611 CV 1 OR { 568} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HD2 )) ASSI { 568} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HD3 )) 3.200 1.300 1.300 peak 568 spectrum 1 weight 0.10000E+01 volume 0.51741E-02 ppm1 8.796 ppm2 1.611 CV 1 OR { 568} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HD2 )) ASSI { 570} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HB2 )) 6.000 6.000 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.796 ppm2 3.364 CV 1 ASSI { 570} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 11 and name HB2 )) 6.000 6.000 0.000 peak 570 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.796 ppm2 3.364 CV 1 ASSI { 571} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HE3 )) 5.200 3.300 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63969E-03 ppm1 8.796 ppm2 3.040 CV 1 OR { 571} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 12 and name HE2 )) ASSI { 571} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HE3 )) 5.200 3.300 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.63969E-03 ppm1 8.796 ppm2 3.040 CV 1 OR { 571} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 12 and name HE2 )) ASSI { 572} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HB2 )) 2.000 0.500 0.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14647E-01 ppm1 7.692 ppm2 1.893 CV 1 OR { 572} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HB3 )) ASSI { 572} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB2 )) 2.000 0.500 0.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.14647E-01 ppm1 7.692 ppm2 1.893 CV 1 OR { 572} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HB3 )) ASSI { 573} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HD3 )) 3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 7.692 ppm2 1.676 CV 1 OR { 573} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HD2 )) ASSI { 573} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HD3 )) 3.800 1.800 1.800 peak 573 spectrum 1 weight 0.10000E+01 volume 0.35149E-02 ppm1 7.692 ppm2 1.676 CV 1 OR { 573} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HD2 )) ASSI { 574} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HG3 )) 4.000 2.000 2.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 7.692 ppm2 1.438 CV 1 ASSI { 574} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HG3 )) 4.000 2.000 2.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 7.692 ppm2 1.438 CV 1 ASSI { 575} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HG2 )) 4.400 2.400 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.10653E-02 ppm1 7.692 ppm2 1.265 CV 1 ASSI { 575} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HG2 )) 4.400 2.400 1.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.10653E-02 ppm1 7.692 ppm2 1.265 CV 1 ASSI { 576} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 125 and name HD1%) 4.600 2.600 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.42438E-03 ppm1 7.692 ppm2 -0.206 CV 1 ASSI { 576} (( segid "B " and resid 32 and name HN )) ( segid "B " and resid 125 and name HD1%) 4.600 2.600 1.400 peak 576 spectrum 1 weight 0.10000E+01 volume 0.42438E-03 ppm1 7.692 ppm2 -0.206 CV 1 ASSI { 577} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 34 and name HN )) 3.500 1.500 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 7.692 ppm2 7.995 CV 1 ASSI { 577} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 34 and name HN )) 3.500 1.500 1.500 peak 577 spectrum 1 weight 0.10000E+01 volume 0.10094E-02 ppm1 7.692 ppm2 7.995 CV 1 ASSI { 580} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 31 and name HD% ) 3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14196E-02 ppm1 7.692 ppm2 7.086 CV 1 ASSI { 580} (( segid "B " and resid 32 and name HN )) ( segid "B " and resid 31 and name HD% ) 3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.14196E-02 ppm1 7.692 ppm2 7.086 CV 1 ASSI { 584} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HA )) 3.400 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.86676E-03 ppm1 7.692 ppm2 4.100 CV 1 ASSI { 584} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HA )) 3.400 1.400 1.400 peak 584 spectrum 1 weight 0.10000E+01 volume 0.86676E-03 ppm1 7.692 ppm2 4.100 CV 1 ASSI { 585} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 32 and name HA )) 2.700 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.41287E-02 ppm1 7.692 ppm2 3.819 CV 1 ASSI { 585} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 32 and name HA )) 2.700 0.900 0.900 peak 585 spectrum 1 weight 0.10000E+01 volume 0.41287E-02 ppm1 7.692 ppm2 3.819 CV 1 ASSI { 586} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HB3 )) 2.600 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.32105E-02 ppm1 7.692 ppm2 2.888 CV 1 ASSI { 586} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HB3 )) 2.600 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.32105E-02 ppm1 7.692 ppm2 2.888 CV 1 ASSI { 587} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 31 and name HB2 )) 3.500 1.600 1.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.25415E-02 ppm1 7.692 ppm2 2.737 CV 1 ASSI { 587} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 31 and name HB2 )) 3.500 1.600 1.600 peak 587 spectrum 1 weight 0.10000E+01 volume 0.25415E-02 ppm1 7.692 ppm2 2.737 CV 1 ASSI { 588} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HB3 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 8.223 ppm2 1.741 CV 1 ASSI { 588} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 130 and name HB3 )) 3.700 1.700 1.700 peak 588 spectrum 1 weight 0.10000E+01 volume 0.11998E-02 ppm1 8.223 ppm2 1.741 CV 1 ASSI { 589} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HB2 )) 3.200 1.300 1.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 8.223 ppm2 1.633 CV 1 ASSI { 589} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 130 and name HB2 )) 3.200 1.300 1.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.14228E-02 ppm1 8.223 ppm2 1.633 CV 1 ASSI { 590} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HG3 )) 4.000 2.000 2.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 8.223 ppm2 1.460 CV 1 OR { 590} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HG2 )) ASSI { 590} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 130 and name HG3 )) 4.000 2.000 2.000 peak 590 spectrum 1 weight 0.10000E+01 volume 0.15760E-02 ppm1 8.223 ppm2 1.460 CV 1 OR { 590} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 130 and name HG2 )) ASSI { 591} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HA )) 3.100 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.13214E-02 ppm1 8.223 ppm2 4.165 CV 1 ASSI { 591} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 130 and name HA )) 3.100 1.200 1.200 peak 591 spectrum 1 weight 0.10000E+01 volume 0.13214E-02 ppm1 8.223 ppm2 4.165 CV 1 ASSI { 592} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HA )) 2.800 1.000 1.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 8.223 ppm2 4.381 CV 1 ASSI { 592} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 129 and name HA )) 2.800 1.000 1.000 peak 592 spectrum 1 weight 0.10000E+01 volume 0.26087E-02 ppm1 8.223 ppm2 4.381 CV 1 ASSI { 594} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HN )) 4.100 2.100 1.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.76222E-03 ppm1 8.223 ppm2 8.623 CV 1 ASSI { 594} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 129 and name HN )) 4.100 2.100 1.900 peak 594 spectrum 1 weight 0.10000E+01 volume 0.76222E-03 ppm1 8.223 ppm2 8.623 CV 1 ASSI { 595} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HB3 )) 5.100 3.300 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.57111E-03 ppm1 8.223 ppm2 2.780 CV 1 ASSI { 595} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 129 and name HB3 )) 5.100 3.300 0.900 peak 595 spectrum 1 weight 0.10000E+01 volume 0.57111E-03 ppm1 8.223 ppm2 2.780 CV 1 ASSI { 596} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HB2 )) 3.700 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.47114E-03 ppm1 8.223 ppm2 2.672 CV 1 ASSI { 596} (( segid "B " and resid 130 and name HN )) (( segid "B " and resid 129 and name HB2 )) 3.700 1.700 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.47114E-03 ppm1 8.223 ppm2 2.672 CV 1 ASSI { 597} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HN )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 8.785 ppm2 8.406 CV 1 ASSI { 597} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 11 and name HN )) 2.700 0.900 0.900 peak 597 spectrum 1 weight 0.10000E+01 volume 0.28268E-02 ppm1 8.785 ppm2 8.406 CV 1 ASSI { 600} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 11 and name HA )) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.60062E-03 ppm1 8.796 ppm2 4.922 CV 1 ASSI { 600} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 11 and name HA )) 3.700 1.700 1.700 peak 600 spectrum 1 weight 0.10000E+01 volume 0.60062E-03 ppm1 8.796 ppm2 4.922 CV 1 ASSI { 601} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HB3 )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.57065E-02 ppm1 7.563 ppm2 1.828 CV 1 OR { 601} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HB2 )) ASSI { 601} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 52 and name HB3 )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.57065E-02 ppm1 7.563 ppm2 1.828 CV 1 OR { 601} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 52 and name HB2 )) ASSI { 602} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 54 and name HN )) 2.600 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.38747E-02 ppm1 7.563 ppm2 8.298 CV 1 ASSI { 602} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 54 and name HN )) 2.600 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.38747E-02 ppm1 7.563 ppm2 8.298 CV 1 ASSI { 603} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 53 and name HB% ) 2.200 0.600 0.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 7.563 ppm2 1.482 CV 1 ASSI { 603} (( segid "B " and resid 53 and name HN )) ( segid "B " and resid 53 and name HB% ) 2.200 0.600 0.600 peak 603 spectrum 1 weight 0.10000E+01 volume 0.10792E-01 ppm1 7.563 ppm2 1.482 CV 1 ASSI { 606} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 53 and name HA )) 2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.48576E-02 ppm1 7.563 ppm2 4.252 CV 1 ASSI { 606} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 53 and name HA )) 2.700 0.900 0.900 peak 606 spectrum 1 weight 0.10000E+01 volume 0.48576E-02 ppm1 7.563 ppm2 4.252 CV 1 ASSI { 608} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HA )) 3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.20749E-02 ppm1 7.563 ppm2 4.014 CV 1 ASSI { 608} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 52 and name HA )) 3.100 1.200 1.200 peak 608 spectrum 1 weight 0.10000E+01 volume 0.20749E-02 ppm1 7.563 ppm2 4.014 CV 1 ASSI { 609} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 51 and name HA )) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.78068E-03 ppm1 7.563 ppm2 3.797 CV 1 ASSI { 609} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 51 and name HA )) 3.800 1.800 1.800 peak 609 spectrum 1 weight 0.10000E+01 volume 0.78068E-03 ppm1 7.563 ppm2 3.797 CV 1 ASSI { 610} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 54 and name HG2 )) 5.000 3.100 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.66247E-03 ppm1 7.563 ppm2 2.520 CV 1 ASSI { 610} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 54 and name HG2 )) 5.000 3.100 1.000 peak 610 spectrum 1 weight 0.10000E+01 volume 0.66247E-03 ppm1 7.563 ppm2 2.520 CV 1 ASSI { 611} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HD2 )) 4.400 2.400 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.71234E-03 ppm1 7.573 ppm2 1.633 CV 1 OR { 611} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HD3 )) ASSI { 611} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 52 and name HD2 )) 4.400 2.400 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.71234E-03 ppm1 7.573 ppm2 1.633 CV 1 OR { 611} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 52 and name HD3 )) ASSI { 613} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 54 and name HG3 )) 4.700 2.700 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.52965E-03 ppm1 7.573 ppm2 2.780 CV 1 ASSI { 613} (( segid "B " and resid 53 and name HN )) (( segid "B " and resid 54 and name HG3 )) 4.700 2.700 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.52965E-03 ppm1 7.573 ppm2 2.780 CV 1 ASSI { 615} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 128 and name HB3 )) 3.100 1.200 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.20457E-02 ppm1 8.634 ppm2 1.373 CV 1 ASSI { 615} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 128 and name HB3 )) 3.100 1.200 1.200 peak 615 spectrum 1 weight 0.10000E+01 volume 0.20457E-02 ppm1 8.634 ppm2 1.373 CV 1 ASSI { 616} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 8.634 ppm2 1.309 CV 1 ASSI { 616} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 128 and name HB2 )) 3.700 1.700 1.700 peak 616 spectrum 1 weight 0.10000E+01 volume 0.16287E-02 ppm1 8.634 ppm2 1.309 CV 1 ASSI { 617} (( segid "A " and resid 129 and name HN )) ( segid "A " and resid 128 and name HD2%) 3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16652E-02 ppm1 8.634 ppm2 0.703 CV 1 ASSI { 617} (( segid "B " and resid 129 and name HN )) ( segid "B " and resid 128 and name HD2%) 3.700 1.700 1.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.16652E-02 ppm1 8.634 ppm2 0.703 CV 1 ASSI { 618} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 128 and name HA )) 2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.50997E-02 ppm1 8.634 ppm2 4.663 CV 1 ASSI { 618} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 128 and name HA )) 2.500 0.800 0.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.50997E-02 ppm1 8.634 ppm2 4.663 CV 1 ASSI { 619} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HA )) 2.600 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.49129E-02 ppm1 8.634 ppm2 4.381 CV 1 ASSI { 619} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 129 and name HA )) 2.600 0.800 0.800 peak 619 spectrum 1 weight 0.10000E+01 volume 0.49129E-02 ppm1 8.634 ppm2 4.381 CV 1 ASSI { 620} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HB3 )) 3.300 1.400 1.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.634 ppm2 2.780 CV 1 ASSI { 620} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 129 and name HB3 )) 3.300 1.400 1.400 peak 620 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.634 ppm2 2.780 CV 1 ASSI { 621} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HB2 )) 4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.90846E-03 ppm1 8.634 ppm2 2.672 CV 1 ASSI { 621} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 129 and name HB2 )) 4.000 2.000 2.000 peak 621 spectrum 1 weight 0.10000E+01 volume 0.90846E-03 ppm1 8.634 ppm2 2.672 CV 1 ASSI { 625} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HB )) 2.300 0.700 0.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.64736E-02 ppm1 7.682 ppm2 2.044 CV 1 ASSI { 625} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 23 and name HB )) 2.300 0.700 0.700 peak 625 spectrum 1 weight 0.10000E+01 volume 0.64736E-02 ppm1 7.682 ppm2 2.044 CV 1 ASSI { 626} (( segid "A " and resid 23 and name HN )) ( segid "A " and resid 23 and name HG1%) 4.000 2.000 2.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 7.682 ppm2 1.070 CV 1 ASSI { 626} (( segid "B " and resid 23 and name HN )) ( segid "B " and resid 23 and name HG1%) 4.000 2.000 2.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.18930E-02 ppm1 7.682 ppm2 1.070 CV 1 ASSI { 628} (( segid "A " and resid 23 and name HN )) ( segid "A " and resid 111 and name HD% ) 4.100 2.100 1.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 7.682 ppm2 6.978 CV 1 ASSI { 628} (( segid "B " and resid 23 and name HN )) ( segid "B " and resid 111 and name HD% ) 4.100 2.100 1.900 peak 628 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 7.682 ppm2 6.978 CV 1 ASSI { 629} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 24 and name HN )) 3.600 1.600 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.17448E-02 ppm1 7.682 ppm2 8.839 CV 1 ASSI { 629} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 24 and name HN )) 3.600 1.600 1.600 peak 629 spectrum 1 weight 0.10000E+01 volume 0.17448E-02 ppm1 7.682 ppm2 8.839 CV 1 ASSI { 631} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HA )) 3.000 1.100 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 7.682 ppm2 4.273 CV 1 ASSI { 631} (( segid "B " and resid 23 and name HN )) (( segid "B " and resid 23 and name HA )) 3.000 1.100 1.100 peak 631 spectrum 1 weight 0.10000E+01 volume 0.16822E-02 ppm1 7.682 ppm2 4.273 CV 1 ASSI { 632} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 128 and name HG )) 4.700 2.800 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.66127E-03 ppm1 8.623 ppm2 1.179 CV 1 ASSI { 632} (( segid "B " and resid 129 and name HN )) (( segid "B " and resid 128 and name HG )) 4.700 2.800 1.300 peak 632 spectrum 1 weight 0.10000E+01 volume 0.66127E-03 ppm1 8.623 ppm2 1.179 CV 1 ASSI { 635} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HB3 )) 1.900 0.500 0.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.35701E-02 ppm1 9.131 ppm2 1.828 CV 1 OR { 635} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HB2 )) ASSI { 635} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 108 and name HB3 )) 1.900 0.500 0.500 peak 635 spectrum 1 weight 0.10000E+01 volume 0.35701E-02 ppm1 9.131 ppm2 1.828 CV 1 OR { 635} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 108 and name HB2 )) ASSI { 636} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HG3 )) 4.600 2.600 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 9.131 ppm2 1.590 CV 1 ASSI { 636} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 108 and name HG3 )) 4.600 2.600 1.400 peak 636 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 9.131 ppm2 1.590 CV 1 ASSI { 638} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HN )) 3.200 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.32487E-02 ppm1 9.131 ppm2 7.606 CV 1 ASSI { 638} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 108 and name HN )) 3.200 1.200 1.200 peak 638 spectrum 1 weight 0.10000E+01 volume 0.32487E-02 ppm1 9.131 ppm2 7.606 CV 1 ASSI { 640} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 109 and name HG2%) 3.600 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.15309E-02 ppm1 9.142 ppm2 1.027 CV 1 ASSI { 640} (( segid "B " and resid 109 and name HN )) ( segid "B " and resid 109 and name HG2%) 3.600 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.15309E-02 ppm1 9.142 ppm2 1.027 CV 1 ASSI { 642} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 109 and name HB )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.26206E-02 ppm1 9.142 ppm2 3.711 CV 1 ASSI { 642} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 109 and name HB )) 2.800 1.000 1.000 peak 642 spectrum 1 weight 0.10000E+01 volume 0.26206E-02 ppm1 9.142 ppm2 3.711 CV 1 ASSI { 643} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 107 and name HN )) 4.300 2.300 1.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.94396E-03 ppm1 8.104 ppm2 8.342 CV 1 ASSI { 643} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 107 and name HN )) 4.300 2.300 1.700 peak 643 spectrum 1 weight 0.10000E+01 volume 0.94396E-03 ppm1 8.104 ppm2 8.342 CV 1 ASSI { 647} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 8.104 ppm2 7.584 CV 1 ASSI { 647} (( segid "B " and resid 105 and name HN )) ( segid "B " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.12648E-02 ppm1 8.104 ppm2 7.584 CV 1 ASSI { 648} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 107 and name HE% ) 4.700 2.700 1.300 peak 648 spectrum 1 weight 0.10000E+01 volume 0.42367E-03 ppm1 8.104 ppm2 7.086 CV 1 ASSI { 648} (( segid "B " and resid 105 and name HN )) ( segid "B " and resid 107 and name HE% ) 4.700 2.700 1.300 peak 648 spectrum 1 weight 0.10000E+01 volume 0.42367E-03 ppm1 8.104 ppm2 7.086 CV 1 ASSI { 649} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HG2 )) 5.200 3.300 0.800 peak 649 spectrum 1 weight 0.10000E+01 volume 0.26494E-03 ppm1 8.114 ppm2 2.304 CV 1 ASSI { 649} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 104 and name HG2 )) 5.100 3.300 0.900 peak 649 spectrum 1 weight 0.10000E+01 volume 0.26494E-03 ppm1 8.114 ppm2 2.304 CV 1 ASSI { 650} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 8.114 ppm2 2.109 CV 1 ASSI { 650} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 104 and name HB2 )) 3.500 1.500 1.500 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10259E-02 ppm1 8.114 ppm2 2.109 CV 1 ASSI { 653} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 105 and name HD% ) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.41766E-02 ppm1 8.114 ppm2 7.433 CV 1 ASSI { 653} (( segid "B " and resid 105 and name HN )) ( segid "B " and resid 105 and name HD% ) 3.000 1.100 1.100 peak 653 spectrum 1 weight 0.10000E+01 volume 0.41766E-02 ppm1 8.114 ppm2 7.433 CV 1 ASSI { 654} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 103 and name HA )) 3.600 1.700 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.53875E-03 ppm1 8.114 ppm2 4.555 CV 1 ASSI { 654} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 103 and name HA )) 3.600 1.700 1.700 peak 654 spectrum 1 weight 0.10000E+01 volume 0.53875E-03 ppm1 8.114 ppm2 4.555 CV 1 ASSI { 655} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 105 and name HE% ) 4.000 2.000 2.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.77012E-03 ppm1 8.114 ppm2 6.957 CV 1 ASSI { 658} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HA )) 3.300 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 8.114 ppm2 4.143 CV 1 ASSI { 658} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 104 and name HA )) 3.300 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 8.114 ppm2 4.143 CV 1 ASSI { 659} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 102 and name HA )) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.114 ppm2 3.797 CV 1 ASSI { 659} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 102 and name HA )) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.114 ppm2 3.797 CV 1 ASSI { 660} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 106 and name HA1 )) 4.400 2.400 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.83294E-03 ppm1 8.114 ppm2 3.689 CV 1 ASSI { 660} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 106 and name HA1 )) 4.400 2.400 1.600 peak 660 spectrum 1 weight 0.10000E+01 volume 0.83294E-03 ppm1 8.114 ppm2 3.689 CV 1 ASSI { 661} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HB3 )) 3.600 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.24288E-02 ppm1 8.114 ppm2 3.494 CV 1 ASSI { 661} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 105 and name HB3 )) 3.600 1.700 1.700 peak 661 spectrum 1 weight 0.10000E+01 volume 0.24288E-02 ppm1 8.114 ppm2 3.494 CV 1 ASSI { 662} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.28748E-02 ppm1 8.114 ppm2 3.083 CV 1 ASSI { 662} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 105 and name HB2 )) 2.700 0.900 0.900 peak 662 spectrum 1 weight 0.10000E+01 volume 0.28748E-02 ppm1 8.114 ppm2 3.083 CV 1 ASSI { 663} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HB3 )) 3.600 1.600 1.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 8.114 ppm2 2.693 CV 1 ASSI { 663} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 104 and name HB3 )) 3.600 1.600 1.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.10876E-02 ppm1 8.114 ppm2 2.693 CV 1 ASSI { 664} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 104 and name HG3 )) 5.000 3.200 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.51381E-03 ppm1 8.114 ppm2 2.564 CV 1 ASSI { 664} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 104 and name HG3 )) 5.000 3.200 1.000 peak 664 spectrum 1 weight 0.10000E+01 volume 0.51381E-03 ppm1 8.114 ppm2 2.564 CV 1 ASSI { 667} (( segid "A " and resid 67 and name HN )) ( segid "A " and resid 45 and name HG1%) 3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.54235E-03 ppm1 8.331 ppm2 0.876 CV 1 ASSI { 667} (( segid "B " and resid 67 and name HN )) ( segid "B " and resid 45 and name HG1%) 3.900 1.900 1.900 peak 667 spectrum 1 weight 0.10000E+01 volume 0.54235E-03 ppm1 8.331 ppm2 0.876 CV 1 ASSI { 668} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 23 and name HB )) 4.200 2.200 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.79866E-03 ppm1 8.818 ppm2 2.044 CV 1 ASSI { 668} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 23 and name HB )) 4.200 2.200 1.800 peak 668 spectrum 1 weight 0.10000E+01 volume 0.79866E-03 ppm1 8.818 ppm2 2.044 CV 1 ASSI { 670} (( segid "A " and resid 112 and name HN )) ( segid "A " and resid 86 and name HG2%) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.25559E-02 ppm1 8.818 ppm2 0.832 CV 1 ASSI { 670} (( segid "B " and resid 112 and name HN )) ( segid "B " and resid 86 and name HG2%) 3.100 1.200 1.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.25559E-02 ppm1 8.818 ppm2 0.832 CV 1 ASSI { 671} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 111 and name HN )) 3.600 1.600 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 8.818 ppm2 9.099 CV 1 ASSI { 671} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 111 and name HN )) 3.600 1.600 1.600 peak 671 spectrum 1 weight 0.10000E+01 volume 0.13859E-02 ppm1 8.818 ppm2 9.099 CV 1 ASSI { 673} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 111 and name HA )) 2.400 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.51790E-02 ppm1 8.818 ppm2 5.766 CV 1 ASSI { 673} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 111 and name HA )) 2.400 0.700 0.700 peak 673 spectrum 1 weight 0.10000E+01 volume 0.51790E-02 ppm1 8.818 ppm2 5.766 CV 1 ASSI { 674} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HA )) 3.000 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 8.818 ppm2 5.399 CV 1 ASSI { 674} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 112 and name HA )) 3.000 1.100 1.100 peak 674 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 8.818 ppm2 5.399 CV 1 ASSI { 675} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 86 and name HA )) 4.100 2.100 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.74494E-03 ppm1 8.818 ppm2 4.836 CV 1 ASSI { 675} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 86 and name HA )) 4.100 2.100 1.900 peak 675 spectrum 1 weight 0.10000E+01 volume 0.74494E-03 ppm1 8.818 ppm2 4.836 CV 1 ASSI { 677} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HB3 )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.20265E-02 ppm1 8.818 ppm2 3.494 CV 1 ASSI { 677} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 112 and name HB3 )) 2.800 1.000 1.000 peak 677 spectrum 1 weight 0.10000E+01 volume 0.20265E-02 ppm1 8.818 ppm2 3.494 CV 1 ASSI { 678} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 111 and name HB3 )) 3.000 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 8.818 ppm2 3.018 CV 1 ASSI { 678} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 111 and name HB3 )) 3.000 1.200 1.200 peak 678 spectrum 1 weight 0.10000E+01 volume 0.12041E-02 ppm1 8.818 ppm2 3.018 CV 1 ASSI { 679} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 111 and name HB2 )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 8.818 ppm2 2.888 CV 1 ASSI { 679} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 111 and name HB2 )) 3.200 1.300 1.300 peak 679 spectrum 1 weight 0.10000E+01 volume 0.20064E-02 ppm1 8.818 ppm2 2.888 CV 1 ASSI { 680} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20361E-02 ppm1 8.818 ppm2 2.672 CV 1 ASSI { 680} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 680 spectrum 1 weight 0.10000E+01 volume 0.20361E-02 ppm1 8.818 ppm2 2.672 CV 1 ASSI { 683} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 120 and name HN )) 3.900 1.900 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.60829E-03 ppm1 9.088 ppm2 8.471 CV 1 ASSI { 683} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 120 and name HN )) 3.900 1.900 1.900 peak 683 spectrum 1 weight 0.10000E+01 volume 0.60829E-03 ppm1 9.088 ppm2 8.471 CV 1 ASSI { 684} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 119 and name HB2 )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14278E-02 ppm1 9.088 ppm2 1.806 CV 1 ASSI { 684} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 119 and name HB2 )) 3.900 1.900 1.900 peak 684 spectrum 1 weight 0.10000E+01 volume 0.14278E-02 ppm1 9.088 ppm2 1.806 CV 1 ASSI { 685} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 119 and name HD2 )) 3.300 1.300 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.24073E-02 ppm1 9.088 ppm2 1.633 CV 1 ASSI { 685} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 119 and name HD2 )) 3.300 1.300 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.24073E-02 ppm1 9.088 ppm2 1.633 CV 1 ASSI { 687} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 119 and name HN )) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 9.088 ppm2 7.433 CV 1 ASSI { 687} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 119 and name HN )) 2.700 0.900 0.900 peak 687 spectrum 1 weight 0.10000E+01 volume 0.27334E-02 ppm1 9.088 ppm2 7.433 CV 1 ASSI { 688} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 117 and name HN )) 2.600 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 9.088 ppm2 8.926 CV 1 ASSI { 688} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 117 and name HN )) 2.600 0.900 0.900 peak 688 spectrum 1 weight 0.10000E+01 volume 0.20428E-02 ppm1 9.088 ppm2 8.926 CV 1 ASSI { 689} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HA )) 2.700 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.36635E-02 ppm1 9.088 ppm2 4.403 CV 1 ASSI { 689} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 118 and name HA )) 2.700 0.900 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.36635E-02 ppm1 9.088 ppm2 4.403 CV 1 ASSI { 692} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 116 and name HA1 )) 4.600 2.600 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.45676E-03 ppm1 9.088 ppm2 3.126 CV 1 ASSI { 692} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 116 and name HA1 )) 4.600 2.600 1.400 peak 692 spectrum 1 weight 0.10000E+01 volume 0.45676E-03 ppm1 9.088 ppm2 3.126 CV 1 ASSI { 693} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.47041E-02 ppm1 9.088 ppm2 2.910 CV 1 OR { 693} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 118 and name HB3 )) ASSI { 693} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 118 and name HB2 )) 2.500 0.800 0.800 peak 693 spectrum 1 weight 0.10000E+01 volume 0.47041E-02 ppm1 9.088 ppm2 2.910 CV 1 OR { 693} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 118 and name HB3 )) ASSI { 696} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 30 and name HN )) 3.500 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 9.272 ppm2 9.077 CV 1 ASSI { 696} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 30 and name HN )) 3.500 1.600 1.600 peak 696 spectrum 1 weight 0.10000E+01 volume 0.12118E-02 ppm1 9.272 ppm2 9.077 CV 1 ASSI { 698} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 100 and name HN )) 2.300 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.58142E-02 ppm1 7.811 ppm2 7.671 CV 1 ASSI { 698} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 100 and name HN )) 2.300 0.700 0.700 peak 698 spectrum 1 weight 0.10000E+01 volume 0.58142E-02 ppm1 7.811 ppm2 7.671 CV 1 ASSI { 700} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HB )) 2.400 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.58911E-02 ppm1 7.811 ppm2 4.230 CV 1 ASSI { 700} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 101 and name HB )) 2.400 0.700 0.700 peak 700 spectrum 1 weight 0.10000E+01 volume 0.58911E-02 ppm1 7.811 ppm2 4.230 CV 1 ASSI { 702} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 100 and name HB3 )) 3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.30164E-02 ppm1 7.822 ppm2 2.196 CV 1 ASSI { 702} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 100 and name HB3 )) 3.100 1.200 1.200 peak 702 spectrum 1 weight 0.10000E+01 volume 0.30164E-02 ppm1 7.822 ppm2 2.196 CV 1 ASSI { 703} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 101 and name HG2%) 3.600 1.700 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22735E-02 ppm1 7.822 ppm2 1.179 CV 1 ASSI { 703} (( segid "B " and resid 101 and name HN )) ( segid "B " and resid 101 and name HG2%) 3.600 1.700 1.700 peak 703 spectrum 1 weight 0.10000E+01 volume 0.22735E-02 ppm1 7.822 ppm2 1.179 CV 1 ASSI { 704} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 103 and name HN )) 3.800 1.800 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.87394E-03 ppm1 7.822 ppm2 8.168 CV 1 ASSI { 704} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 103 and name HN )) 3.800 1.800 1.800 peak 704 spectrum 1 weight 0.10000E+01 volume 0.87394E-03 ppm1 7.822 ppm2 8.168 CV 1 ASSI { 706} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 102 and name HN )) 2.700 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.26614E-02 ppm1 7.822 ppm2 8.709 CV 1 ASSI { 706} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 102 and name HN )) 2.700 0.900 0.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.26614E-02 ppm1 7.822 ppm2 8.709 CV 1 ASSI { 707} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HG2 )) 3.000 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.25943E-02 ppm1 7.855 ppm2 1.265 CV 1 ASSI { 707} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HG2 )) 3.000 1.100 1.100 peak 707 spectrum 1 weight 0.10000E+01 volume 0.25943E-02 ppm1 7.855 ppm2 1.265 CV 1 ASSI { 710} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HN )) 2.300 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.56320E-02 ppm1 7.855 ppm2 7.671 CV 1 ASSI { 710} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 32 and name HN )) 2.300 0.700 0.700 peak 710 spectrum 1 weight 0.10000E+01 volume 0.56320E-02 ppm1 7.855 ppm2 7.671 CV 1 ASSI { 712} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HA )) 2.300 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.74784E-02 ppm1 7.855 ppm2 3.884 CV 1 ASSI { 712} (( segid "B " and resid 33 and name HN )) (( segid "B " and resid 33 and name HA )) 2.300 0.600 0.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.74784E-02 ppm1 7.855 ppm2 3.884 CV 1 ASSI { 719} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HB3 )) 3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 8.731 ppm2 1.785 CV 1 ASSI { 719} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 102 and name HB3 )) 3.700 1.700 1.700 peak 719 spectrum 1 weight 0.10000E+01 volume 0.17467E-02 ppm1 8.731 ppm2 1.785 CV 1 ASSI { 723} (( segid "A " and resid 102 and name HN )) ( segid "A " and resid 102 and name HD2%) 3.700 1.700 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.731 ppm2 -0.098 CV 1 ASSI { 723} (( segid "B " and resid 102 and name HN )) ( segid "B " and resid 102 and name HD2%) 3.700 1.700 1.700 peak 723 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.731 ppm2 -0.098 CV 1 ASSI { 725} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 100 and name HN )) 4.100 2.100 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.46131E-03 ppm1 8.731 ppm2 7.671 CV 1 ASSI { 725} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 100 and name HN )) 4.100 2.100 1.900 peak 725 spectrum 1 weight 0.10000E+01 volume 0.46131E-03 ppm1 8.731 ppm2 7.671 CV 1 ASSI { 728} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HG )) 2.500 0.800 0.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.34910E-02 ppm1 8.742 ppm2 1.568 CV 1 ASSI { 728} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 102 and name HG )) 2.500 0.800 0.800 peak 728 spectrum 1 weight 0.10000E+01 volume 0.34910E-02 ppm1 8.742 ppm2 1.568 CV 1 ASSI { 731} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 101 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.29563E-02 ppm1 8.742 ppm2 4.230 CV 1 ASSI { 731} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 101 and name HB )) 2.700 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.29563E-02 ppm1 8.742 ppm2 4.230 CV 1 ASSI { 733} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HA )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 8.742 ppm2 3.797 CV 1 ASSI { 733} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 102 and name HA )) 3.000 1.100 1.100 peak 733 spectrum 1 weight 0.10000E+01 volume 0.16510E-02 ppm1 8.742 ppm2 3.797 CV 1 ASSI { 736} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 25 and name HD2%) 2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.25032E-02 ppm1 9.272 ppm2 0.941 CV 1 ASSI { 736} (( segid "B " and resid 26 and name HN )) ( segid "B " and resid 25 and name HD2%) 2.600 0.800 0.800 peak 736 spectrum 1 weight 0.10000E+01 volume 0.25032E-02 ppm1 9.272 ppm2 0.941 CV 1 ASSI { 737} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 25 and name HD1%) 4.500 2.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.73319E-03 ppm1 9.272 ppm2 0.573 CV 1 ASSI { 737} (( segid "B " and resid 26 and name HN )) ( segid "B " and resid 25 and name HD1%) 4.500 2.500 1.500 peak 737 spectrum 1 weight 0.10000E+01 volume 0.73319E-03 ppm1 9.272 ppm2 0.573 CV 1 ASSI { 739} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 25 and name HA )) 2.100 0.600 0.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.72913E-02 ppm1 9.272 ppm2 5.074 CV 1 ASSI { 739} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HA )) 2.100 0.600 0.600 peak 739 spectrum 1 weight 0.10000E+01 volume 0.72913E-02 ppm1 9.272 ppm2 5.074 CV 1 ASSI { 740} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 26 and name HA )) 2.500 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.44190E-02 ppm1 9.272 ppm2 4.706 CV 1 ASSI { 740} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HA )) 2.500 0.800 0.800 peak 740 spectrum 1 weight 0.10000E+01 volume 0.44190E-02 ppm1 9.272 ppm2 4.706 CV 1 ASSI { 742} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 26 and name HB3 )) 3.100 1.200 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 9.272 ppm2 4.338 CV 1 ASSI { 742} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB3 )) 3.100 1.200 1.200 peak 742 spectrum 1 weight 0.10000E+01 volume 0.18985E-02 ppm1 9.272 ppm2 4.338 CV 1 ASSI { 743} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 26 and name HB2 )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.47474E-02 ppm1 9.272 ppm2 4.078 CV 1 ASSI { 743} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 26 and name HB2 )) 3.200 1.300 1.300 peak 743 spectrum 1 weight 0.10000E+01 volume 0.47474E-02 ppm1 9.272 ppm2 4.078 CV 1 ASSI { 744} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 30 and name HA )) 4.200 2.200 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.93532E-03 ppm1 9.272 ppm2 3.949 CV 1 ASSI { 744} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 30 and name HA )) 4.200 2.200 1.800 peak 744 spectrum 1 weight 0.10000E+01 volume 0.93532E-03 ppm1 9.272 ppm2 3.949 CV 1 ASSI { 745} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 29 and name HB3 )) 3.900 1.900 1.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18217E-02 ppm1 9.272 ppm2 2.953 CV 1 ASSI { 745} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 29 and name HB3 )) 3.900 1.900 1.900 peak 745 spectrum 1 weight 0.10000E+01 volume 0.18217E-02 ppm1 9.272 ppm2 2.953 CV 1 ASSI { 746} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 29 and name HB2 )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 9.272 ppm2 2.564 CV 1 ASSI { 746} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 29 and name HB2 )) 3.400 1.500 1.500 peak 746 spectrum 1 weight 0.10000E+01 volume 0.12923E-02 ppm1 9.272 ppm2 2.564 CV 1 ASSI { 751} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HD21)) 4.000 2.000 2.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.37093E-03 ppm1 9.294 ppm2 6.502 CV 1 ASSI { 751} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 61 and name HD21)) 4.000 2.000 2.000 peak 751 spectrum 1 weight 0.10000E+01 volume 0.37093E-03 ppm1 9.294 ppm2 6.502 CV 1 ASSI { 752} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HN )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.28342E-02 ppm1 7.844 ppm2 8.406 CV 1 ASSI { 752} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 15 and name HN )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.28342E-02 ppm1 7.844 ppm2 8.406 CV 1 ASSI { 753} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HB2 )) 1.900 0.400 0.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.21962E-01 ppm1 7.844 ppm2 1.850 CV 1 OR { 753} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HB3 )) ASSI { 753} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 16 and name HB2 )) 1.900 0.400 0.400 peak 753 spectrum 1 weight 0.10000E+01 volume 0.21962E-01 ppm1 7.844 ppm2 1.850 CV 1 OR { 753} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 16 and name HB3 )) ASSI { 754} (( segid "A " and resid 16 and name HN )) ( segid "A " and resid 15 and name HG2%) 4.000 2.000 2.000 peak 754 spectrum 1 weight 0.10000E+01 volume 0.13441E-02 ppm1 7.844 ppm2 0.443 CV 1 ASSI { 755} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 17 and name HN )) 2.100 0.600 0.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13645E-01 ppm1 7.844 ppm2 7.930 CV 1 ASSI { 755} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 17 and name HN )) 2.100 0.600 0.600 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13645E-01 ppm1 7.844 ppm2 7.930 CV 1 ASSI { 756} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HA )) 2.400 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.69891E-02 ppm1 7.844 ppm2 3.776 CV 1 ASSI { 756} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 16 and name HA )) 2.400 0.700 0.700 peak 756 spectrum 1 weight 0.10000E+01 volume 0.69891E-02 ppm1 7.844 ppm2 3.776 CV 1 ASSI { 757} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 12 and name HA )) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.74735E-03 ppm1 7.844 ppm2 3.429 CV 1 ASSI { 757} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 12 and name HA )) 3.400 1.500 1.500 peak 757 spectrum 1 weight 0.10000E+01 volume 0.74735E-03 ppm1 7.844 ppm2 3.429 CV 1 ASSI { 758} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 15 and name HA )) 3.500 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.93651E-03 ppm1 7.844 ppm2 3.256 CV 1 ASSI { 758} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 15 and name HA )) 3.500 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.93651E-03 ppm1 7.844 ppm2 3.256 CV 1 ASSI { 759} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 14 and name HN )) 3.300 1.400 1.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13873E-02 ppm1 7.844 ppm2 8.515 CV 1 ASSI { 759} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 14 and name HN )) 3.300 1.400 1.400 peak 759 spectrum 1 weight 0.10000E+01 volume 0.13873E-02 ppm1 7.844 ppm2 8.515 CV 1 ASSI { 760} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 59 and name HB )) 3.400 1.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 9.294 ppm2 2.455 CV 1 ASSI { 760} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 59 and name HB )) 3.400 1.500 1.500 peak 760 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 9.294 ppm2 2.455 CV 1 ASSI { 761} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.54306E-02 ppm1 9.294 ppm2 1.828 CV 1 OR { 761} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HB3 )) ASSI { 761} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.54306E-02 ppm1 9.294 ppm2 1.828 CV 1 OR { 761} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HB3 )) ASSI { 762} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HG3 )) 4.700 2.700 1.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.69485E-03 ppm1 9.294 ppm2 1.525 CV 1 ASSI { 762} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HG3 )) 4.700 2.700 1.300 peak 762 spectrum 1 weight 0.10000E+01 volume 0.69485E-03 ppm1 9.294 ppm2 1.525 CV 1 ASSI { 763} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HG2 )) 5.200 3.400 0.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.43469E-03 ppm1 9.294 ppm2 1.417 CV 1 ASSI { 763} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HG2 )) 5.200 3.400 0.800 peak 763 spectrum 1 weight 0.10000E+01 volume 0.43469E-03 ppm1 9.294 ppm2 1.417 CV 1 ASSI { 764} (( segid "A " and resid 61 and name HN )) ( segid "A " and resid 34 and name HD2%) 3.600 1.600 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 9.294 ppm2 0.768 CV 1 ASSI { 764} (( segid "B " and resid 61 and name HN )) ( segid "B " and resid 34 and name HD2%) 3.600 1.600 1.600 peak 764 spectrum 1 weight 0.10000E+01 volume 0.10535E-02 ppm1 9.294 ppm2 0.768 CV 1 ASSI { 765} (( segid "A " and resid 61 and name HN )) ( segid "A " and resid 59 and name HG2%) 2.800 1.000 1.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.21164E-02 ppm1 9.294 ppm2 0.681 CV 1 ASSI { 765} (( segid "B " and resid 61 and name HN )) ( segid "B " and resid 59 and name HG2%) 2.800 1.000 1.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.21164E-02 ppm1 9.294 ppm2 0.681 CV 1 ASSI { 766} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HA )) 6.000 5.200 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.294 ppm2 4.057 CV 1 ASSI { 766} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HA )) 6.000 5.200 0.000 peak 766 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.294 ppm2 4.057 CV 1 ASSI { 767} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 62 and name HN )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 9.294 ppm2 7.974 CV 1 ASSI { 767} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 62 and name HN )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.13834E-02 ppm1 9.294 ppm2 7.974 CV 1 ASSI { 769} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HD22)) 3.700 1.700 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.59605E-03 ppm1 9.294 ppm2 7.238 CV 1 ASSI { 769} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 61 and name HD22)) 3.700 1.700 1.700 peak 769 spectrum 1 weight 0.10000E+01 volume 0.59605E-03 ppm1 9.294 ppm2 7.238 CV 1 ASSI { 770} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HA )) 2.700 0.900 0.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 9.294 ppm2 4.944 CV 1 ASSI { 770} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 61 and name HA )) 2.700 0.900 0.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.32151E-02 ppm1 9.294 ppm2 4.944 CV 1 ASSI { 772} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HB3 )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.30930E-02 ppm1 9.294 ppm2 3.191 CV 1 ASSI { 772} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 61 and name HB3 )) 3.100 1.200 1.200 peak 772 spectrum 1 weight 0.10000E+01 volume 0.30930E-02 ppm1 9.294 ppm2 3.191 CV 1 ASSI { 773} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HN )) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 9.294 ppm2 8.558 CV 1 ASSI { 773} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 60 and name HN )) 2.900 1.100 1.100 peak 773 spectrum 1 weight 0.10000E+01 volume 0.24504E-02 ppm1 9.294 ppm2 8.558 CV 1 ASSI { 777} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HA )) 4.500 2.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.66271E-03 ppm1 6.848 ppm2 4.014 CV 1 ASSI { 777} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 52 and name HA )) 4.400 2.500 1.600 peak 777 spectrum 1 weight 0.10000E+01 volume 0.66271E-03 ppm1 6.848 ppm2 4.014 CV 1 ASSI { 782} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HB2 )) 4.500 2.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.63539E-03 ppm1 6.859 ppm2 1.828 CV 1 OR { 782} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HB3 )) ASSI { 782} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 52 and name HB2 )) 4.500 2.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.63539E-03 ppm1 6.859 ppm2 1.828 CV 1 OR { 782} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 52 and name HB3 )) ASSI { 783} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB3 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.28867E-02 ppm1 6.859 ppm2 1.503 CV 1 ASSI { 783} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 51 and name HB3 )) 3.600 1.600 1.600 peak 783 spectrum 1 weight 0.10000E+01 volume 0.28867E-02 ppm1 6.859 ppm2 1.503 CV 1 ASSI { 784} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB2 )) 2.300 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.48170E-02 ppm1 6.859 ppm2 1.309 CV 1 OR { 784} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HG )) ASSI { 784} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 51 and name HB2 )) 2.300 0.700 0.700 peak 784 spectrum 1 weight 0.10000E+01 volume 0.48170E-02 ppm1 6.859 ppm2 1.309 CV 1 OR { 784} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 51 and name HG )) ASSI { 788} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HN )) 2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.27142E-02 ppm1 6.859 ppm2 7.433 CV 1 ASSI { 788} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 50 and name HN )) 2.600 0.800 0.800 peak 788 spectrum 1 weight 0.10000E+01 volume 0.27142E-02 ppm1 6.859 ppm2 7.433 CV 1 ASSI { 791} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HA )) 2.800 1.000 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 6.859 ppm2 3.797 CV 1 ASSI { 791} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 51 and name HA )) 2.800 1.000 1.000 peak 791 spectrum 1 weight 0.10000E+01 volume 0.25871E-02 ppm1 6.859 ppm2 3.797 CV 1 ASSI { 798} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.77876E-02 ppm1 7.920 ppm2 1.850 CV 1 OR { 798} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HB3 )) ASSI { 798} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 798 spectrum 1 weight 0.10000E+01 volume 0.77876E-02 ppm1 7.920 ppm2 1.850 CV 1 OR { 798} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HB3 )) ASSI { 799} (( segid "A " and resid 17 and name HN )) ( segid "A " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 7.920 ppm2 0.746 CV 1 ASSI { 799} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 15 and name HG1%) 3.900 1.900 1.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 7.920 ppm2 0.746 CV 1 ASSI { 800} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 17 and name HA )) 2.400 0.700 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.93364E-02 ppm1 7.920 ppm2 4.078 CV 1 ASSI { 800} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 17 and name HA )) 2.400 0.700 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.93364E-02 ppm1 7.920 ppm2 4.078 CV 1 ASSI { 801} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 15 and name HN )) 3.100 1.200 1.200 peak 801 spectrum 1 weight 0.10000E+01 volume 0.22425E-02 ppm1 7.930 ppm2 8.428 CV 1 ASSI { 801} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 15 and name HN )) 3.100 1.200 1.200 peak 801 spectrum 1 weight 0.10000E+01 volume 0.22425E-02 ppm1 7.930 ppm2 8.428 CV 1 ASSI { 802} (( segid "A " and resid 17 and name HN )) ( segid "A " and resid 17 and name HB% ) 2.100 0.500 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.20344E-01 ppm1 7.930 ppm2 1.417 CV 1 ASSI { 802} (( segid "B " and resid 17 and name HN )) ( segid "B " and resid 17 and name HB% ) 2.100 0.500 0.500 peak 802 spectrum 1 weight 0.10000E+01 volume 0.20344E-01 ppm1 7.930 ppm2 1.417 CV 1 ASSI { 803} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 20 and name HN )) 4.300 2.300 1.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.58142E-03 ppm1 7.930 ppm2 7.108 CV 1 ASSI { 803} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 20 and name HN )) 4.300 2.300 1.700 peak 803 spectrum 1 weight 0.10000E+01 volume 0.58142E-03 ppm1 7.930 ppm2 7.108 CV 1 ASSI { 804} (( segid "A " and resid 17 and name HN )) (( segid "A " and resid 16 and name HA )) 3.000 1.100 1.100 peak 804 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 7.930 ppm2 3.797 CV 1 ASSI { 804} (( segid "B " and resid 17 and name HN )) (( segid "B " and resid 16 and name HA )) 3.000 1.100 1.100 peak 804 spectrum 1 weight 0.10000E+01 volume 0.24432E-02 ppm1 7.930 ppm2 3.797 CV 1 ASSI { 806} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HG2 )) 4.200 2.300 1.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.16436E-02 ppm1 8.201 ppm2 2.304 CV 1 ASSI { 806} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 5 and name HG2 )) 4.200 2.300 1.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.16436E-02 ppm1 8.201 ppm2 2.304 CV 1 ASSI { 807} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HB2 )) 2.300 0.700 0.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.73465E-02 ppm1 8.201 ppm2 2.066 CV 1 OR { 807} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HB3 )) ASSI { 807} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 5 and name HB2 )) 2.300 0.700 0.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.73465E-02 ppm1 8.201 ppm2 2.066 CV 1 OR { 807} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 5 and name HB3 )) ASSI { 808} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 6 and name HB2 )) 5.000 3.100 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.37810E-03 ppm1 8.201 ppm2 1.828 CV 1 OR { 808} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 6 and name HB3 )) ASSI { 808} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 6 and name HB2 )) 5.000 3.100 1.000 peak 808 spectrum 1 weight 0.10000E+01 volume 0.37810E-03 ppm1 8.201 ppm2 1.828 CV 1 OR { 808} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 6 and name HB3 )) ASSI { 809} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 6 and name HN )) 2.900 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 8.201 ppm2 7.779 CV 1 ASSI { 809} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 6 and name HN )) 2.900 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.15273E-02 ppm1 8.201 ppm2 7.779 CV 1 ASSI { 810} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 3 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.41959E-03 ppm1 8.201 ppm2 4.425 CV 1 ASSI { 810} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 3 and name HA )) 3.800 1.800 1.800 peak 810 spectrum 1 weight 0.10000E+01 volume 0.41959E-03 ppm1 8.201 ppm2 4.425 CV 1 ASSI { 811} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HA )) 2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.47810E-02 ppm1 8.201 ppm2 4.187 CV 1 ASSI { 811} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 5 and name HA )) 2.600 0.800 0.800 peak 811 spectrum 1 weight 0.10000E+01 volume 0.47810E-02 ppm1 8.201 ppm2 4.187 CV 1 ASSI { 812} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 4 and name HA1 )) 3.400 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 8.201 ppm2 3.970 CV 1 ASSI { 812} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 4 and name HA1 )) 3.400 1.400 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.13038E-02 ppm1 8.201 ppm2 3.970 CV 1 ASSI { 813} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 6 and name HG3 )) 5.400 3.600 0.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.31626E-03 ppm1 8.212 ppm2 1.438 CV 1 ASSI { 813} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 6 and name HG3 )) 5.400 3.600 0.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.31626E-03 ppm1 8.212 ppm2 1.438 CV 1 ASSI { 815} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 120 and name HN )) 2.500 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.37859E-02 ppm1 7.444 ppm2 8.493 CV 1 ASSI { 815} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 120 and name HN )) 2.500 0.800 0.800 peak 815 spectrum 1 weight 0.10000E+01 volume 0.37859E-02 ppm1 7.444 ppm2 8.493 CV 1 ASSI { 816} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 119 and name HB3 )) 3.600 1.600 1.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.31074E-02 ppm1 7.444 ppm2 1.979 CV 1 ASSI { 816} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 119 and name HB3 )) 3.600 1.600 1.600 peak 816 spectrum 1 weight 0.10000E+01 volume 0.31074E-02 ppm1 7.444 ppm2 1.979 CV 1 ASSI { 817} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 119 and name HB2 )) 2.300 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.41791E-02 ppm1 7.444 ppm2 1.806 CV 1 ASSI { 817} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 119 and name HB2 )) 2.300 0.700 0.700 peak 817 spectrum 1 weight 0.10000E+01 volume 0.41791E-02 ppm1 7.444 ppm2 1.806 CV 1 ASSI { 818} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 119 and name HA )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.27670E-02 ppm1 7.444 ppm2 4.295 CV 1 ASSI { 818} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 119 and name HA )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.27670E-02 ppm1 7.444 ppm2 4.295 CV 1 ASSI { 819} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.31074E-02 ppm1 7.444 ppm2 2.910 CV 1 OR { 819} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HB2 )) ASSI { 819} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 118 and name HB3 )) 2.800 1.000 1.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.31074E-02 ppm1 7.444 ppm2 2.910 CV 1 OR { 819} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 118 and name HB2 )) ASSI { 821} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 119 and name HD3 )) 3.500 1.500 1.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.28006E-02 ppm1 7.454 ppm2 1.698 CV 1 ASSI { 821} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 119 and name HD3 )) 3.500 1.500 1.500 peak 821 spectrum 1 weight 0.10000E+01 volume 0.28006E-02 ppm1 7.454 ppm2 1.698 CV 1 ASSI { 824} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HA )) 3.300 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 7.454 ppm2 4.403 CV 1 ASSI { 824} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 118 and name HA )) 3.300 1.400 1.400 peak 824 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 7.454 ppm2 4.403 CV 1 ASSI { 825} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 115 and name HA2 )) 4.300 2.300 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.85092E-03 ppm1 7.454 ppm2 4.057 CV 1 ASSI { 825} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 115 and name HA2 )) 4.300 2.300 1.700 peak 825 spectrum 1 weight 0.10000E+01 volume 0.85092E-03 ppm1 7.454 ppm2 4.057 CV 1 ASSI { 830} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 79 and name HD2%) 3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 7.833 ppm2 0.876 CV 1 ASSI { 830} (( segid "B " and resid 79 and name HN )) ( segid "B " and resid 79 and name HD2%) 3.700 1.700 1.700 peak 830 spectrum 1 weight 0.10000E+01 volume 0.23806E-02 ppm1 7.833 ppm2 0.876 CV 1 ASSI { 835} (( segid "A " and resid 9 and name HN )) ( segid "A " and resid 9 and name HB% ) 2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13357E-01 ppm1 8.352 ppm2 1.611 CV 1 ASSI { 835} (( segid "B " and resid 9 and name HN )) ( segid "B " and resid 9 and name HB% ) 2.200 0.600 0.600 peak 835 spectrum 1 weight 0.10000E+01 volume 0.13357E-01 ppm1 8.352 ppm2 1.611 CV 1 ASSI { 836} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 9 and name HA )) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.71906E-02 ppm1 8.352 ppm2 4.122 CV 1 ASSI { 836} (( segid "B " and resid 9 and name HN )) (( segid "B " and resid 9 and name HA )) 2.500 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.71906E-02 ppm1 8.352 ppm2 4.122 CV 1 ASSI { 839} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HB2 )) 2.500 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.45484E-02 ppm1 8.385 ppm2 1.828 CV 1 OR { 839} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HB3 )) ASSI { 839} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 6 and name HB2 )) 2.500 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.45484E-02 ppm1 8.385 ppm2 1.828 CV 1 OR { 839} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 6 and name HB3 )) ASSI { 840} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HG2 )) 4.600 2.600 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.62004E-03 ppm1 8.385 ppm2 1.373 CV 1 ASSI { 840} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 6 and name HG2 )) 4.600 2.600 1.400 peak 840 spectrum 1 weight 0.10000E+01 volume 0.62004E-03 ppm1 8.385 ppm2 1.373 CV 1 ASSI { 841} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 6 and name HN )) 2.900 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 8.385 ppm2 7.779 CV 1 ASSI { 841} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 6 and name HN )) 2.900 1.100 1.100 peak 841 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 8.385 ppm2 7.779 CV 1 ASSI { 842} (( segid "A " and resid 7 and name HN )) ( segid "A " and resid 7 and name HE% ) 3.500 1.600 1.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 8.385 ppm2 7.563 CV 1 ASSI { 842} (( segid "B " and resid 7 and name HN )) ( segid "B " and resid 7 and name HE% ) 3.500 1.600 1.600 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14420E-02 ppm1 8.385 ppm2 7.563 CV 1 ASSI { 843} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HA )) 3.000 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.20874E-02 ppm1 8.385 ppm2 4.987 CV 1 ASSI { 843} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 7 and name HA )) 3.000 1.100 1.100 peak 843 spectrum 1 weight 0.10000E+01 volume 0.20874E-02 ppm1 8.385 ppm2 4.987 CV 1 ASSI { 844} (( segid "A " and resid 7 and name HN )) ( segid "A " and resid 7 and name HD% ) 2.900 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.23677E-02 ppm1 8.385 ppm2 7.454 CV 1 ASSI { 844} (( segid "B " and resid 7 and name HN )) ( segid "B " and resid 7 and name HD% ) 2.900 1.100 1.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.23677E-02 ppm1 8.385 ppm2 7.454 CV 1 ASSI { 848} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB3 )) 2.600 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.29108E-02 ppm1 8.385 ppm2 3.429 CV 1 ASSI { 848} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 7 and name HB3 )) 2.600 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.29108E-02 ppm1 8.385 ppm2 3.429 CV 1 ASSI { 849} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.30402E-02 ppm1 8.385 ppm2 3.321 CV 1 ASSI { 849} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 849 spectrum 1 weight 0.10000E+01 volume 0.30402E-02 ppm1 8.385 ppm2 3.321 CV 1 ASSI { 851} (( segid "A " and resid 8 and name HN )) ( segid "B " and resid 75 and name HB% ) 3.800 1.800 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 8.590 ppm2 1.655 CV 1 ASSI { 851} (( segid "B " and resid 8 and name HN )) ( segid "A " and resid 75 and name HB% ) 3.800 1.800 1.800 peak 851 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 8.590 ppm2 1.655 CV 1 ASSI { 852} (( segid "A " and resid 8 and name HN )) ( segid "A " and resid 7 and name HD% ) 3.400 1.400 1.400 peak 852 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 8.590 ppm2 7.454 CV 1 ASSI { 852} (( segid "B " and resid 8 and name HN )) ( segid "B " and resid 7 and name HD% ) 3.400 1.400 1.400 peak 852 spectrum 1 weight 0.10000E+01 volume 0.11703E-02 ppm1 8.590 ppm2 7.454 CV 1 ASSI { 853} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HA )) 3.500 1.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.97033E-03 ppm1 8.590 ppm2 4.987 CV 1 ASSI { 853} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 7 and name HA )) 3.500 1.500 1.500 peak 853 spectrum 1 weight 0.10000E+01 volume 0.97033E-03 ppm1 8.590 ppm2 4.987 CV 1 ASSI { 856} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB3 )) 3.400 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20593E-02 ppm1 8.590 ppm2 3.429 CV 1 ASSI { 856} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 7 and name HB3 )) 3.400 1.500 1.500 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20593E-02 ppm1 8.590 ppm2 3.429 CV 1 ASSI { 857} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 8.590 ppm2 3.321 CV 1 ASSI { 857} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 7 and name HB2 )) 3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 8.590 ppm2 3.321 CV 1 ASSI { 859} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 6 and name HN )) 4.100 2.100 1.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.35893E-03 ppm1 8.601 ppm2 7.779 CV 1 ASSI { 859} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 6 and name HN )) 4.100 2.100 1.900 peak 859 spectrum 1 weight 0.10000E+01 volume 0.35893E-03 ppm1 8.601 ppm2 7.779 CV 1 ASSI { 860} (( segid "A " and resid 8 and name HN )) (( segid "B " and resid 75 and name HA )) 4.600 2.600 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.75477E-03 ppm1 8.601 ppm2 4.555 CV 1 ASSI { 860} (( segid "B " and resid 8 and name HN )) (( segid "A " and resid 75 and name HA )) 4.600 2.600 1.400 peak 860 spectrum 1 weight 0.10000E+01 volume 0.75477E-03 ppm1 8.601 ppm2 4.555 CV 1 ASSI { 863} (( segid "A " and resid 113 and name HN )) ( segid "A " and resid 86 and name HG2%) 3.000 1.100 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32920E-02 ppm1 7.249 ppm2 0.854 CV 1 ASSI { 863} (( segid "B " and resid 113 and name HN )) ( segid "B " and resid 86 and name HG2%) 3.000 1.100 1.100 peak 863 spectrum 1 weight 0.10000E+01 volume 0.32920E-02 ppm1 7.249 ppm2 0.854 CV 1 ASSI { 864} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 87 and name HN )) 4.200 2.200 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.71643E-03 ppm1 7.249 ppm2 9.121 CV 1 ASSI { 864} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 87 and name HN )) 4.200 2.200 1.800 peak 864 spectrum 1 weight 0.10000E+01 volume 0.71643E-03 ppm1 7.249 ppm2 9.121 CV 1 ASSI { 866} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 112 and name HA )) 2.300 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.56009E-02 ppm1 7.249 ppm2 5.399 CV 1 ASSI { 866} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 112 and name HA )) 2.300 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.56009E-02 ppm1 7.249 ppm2 5.399 CV 1 ASSI { 867} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 114 and name HN )) 4.700 2.700 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.49846E-03 ppm1 7.249 ppm2 9.986 CV 1 ASSI { 867} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 114 and name HN )) 4.700 2.700 1.300 peak 867 spectrum 1 weight 0.10000E+01 volume 0.49846E-03 ppm1 7.249 ppm2 9.986 CV 1 ASSI { 868} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 113 and name HB3 )) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.20519E-02 ppm1 7.249 ppm2 4.446 CV 1 ASSI { 868} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 113 and name HB3 )) 2.600 0.800 0.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.20519E-02 ppm1 7.249 ppm2 4.446 CV 1 ASSI { 869} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 112 and name HN )) 4.000 2.000 2.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.70492E-03 ppm1 7.249 ppm2 8.818 CV 1 ASSI { 869} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 112 and name HN )) 4.000 2.000 2.000 peak 869 spectrum 1 weight 0.10000E+01 volume 0.70492E-03 ppm1 7.249 ppm2 8.818 CV 1 ASSI { 870} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 113 and name HB2 )) 3.000 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 7.249 ppm2 3.386 CV 1 ASSI { 870} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 113 and name HB2 )) 3.000 1.100 1.100 peak 870 spectrum 1 weight 0.10000E+01 volume 0.27429E-02 ppm1 7.249 ppm2 3.386 CV 1 ASSI { 872} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 7.260 ppm2 2.650 CV 1 ASSI { 872} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 112 and name HB2 )) 3.600 1.600 1.600 peak 872 spectrum 1 weight 0.10000E+01 volume 0.11039E-02 ppm1 7.260 ppm2 2.650 CV 1 ASSI { 874} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 100 and name HB3 )) 4.800 2.900 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.37475E-03 ppm1 7.584 ppm2 2.174 CV 1 ASSI { 874} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 100 and name HB3 )) 4.800 2.900 1.200 peak 874 spectrum 1 weight 0.10000E+01 volume 0.37475E-03 ppm1 7.584 ppm2 2.174 CV 1 ASSI { 878} (( segid "A " and resid 96 and name HN )) ( segid "A " and resid 96 and name HB% ) 2.300 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.77037E-02 ppm1 7.584 ppm2 1.438 CV 1 ASSI { 878} (( segid "B " and resid 96 and name HN )) ( segid "B " and resid 96 and name HB% ) 2.300 0.700 0.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.77037E-02 ppm1 7.584 ppm2 1.438 CV 1 ASSI { 879} (( segid "A " and resid 96 and name HN )) ( segid "A " and resid 95 and name HB% ) 2.900 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.31241E-02 ppm1 7.584 ppm2 1.135 CV 1 ASSI { 879} (( segid "B " and resid 96 and name HN )) ( segid "B " and resid 95 and name HB% ) 2.900 1.100 1.100 peak 879 spectrum 1 weight 0.10000E+01 volume 0.31241E-02 ppm1 7.584 ppm2 1.135 CV 1 ASSI { 882} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 97 and name HN )) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 7.584 ppm2 7.173 CV 1 ASSI { 882} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 97 and name HN )) 2.600 0.800 0.800 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 7.584 ppm2 7.173 CV 1 ASSI { 884} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 112 and name HD21)) 4.200 2.300 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 7.584 ppm2 5.745 CV 1 ASSI { 884} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 112 and name HD21)) 4.200 2.300 1.800 peak 884 spectrum 1 weight 0.10000E+01 volume 0.15621E-02 ppm1 7.584 ppm2 5.745 CV 1 ASSI { 887} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 96 and name HA )) 2.500 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.39681E-02 ppm1 7.584 ppm2 3.840 CV 1 ASSI { 887} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 96 and name HA )) 2.500 0.800 0.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.39681E-02 ppm1 7.584 ppm2 3.840 CV 1 ASSI { 888} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 95 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 7.584 ppm2 3.711 CV 1 ASSI { 888} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 95 and name HA )) 3.200 1.300 1.300 peak 888 spectrum 1 weight 0.10000E+01 volume 0.12590E-02 ppm1 7.584 ppm2 3.711 CV 1 ASSI { 891} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HG )) 3.200 1.200 1.200 peak 891 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 8.277 ppm2 1.525 CV 1 ASSI { 891} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 74 and name HG )) 3.100 1.200 1.200 peak 891 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 8.277 ppm2 1.525 CV 1 ASSI { 892} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 8.277 ppm2 0.551 CV 1 ASSI { 892} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 74 and name HB2 )) 4.200 2.200 1.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.14273E-02 ppm1 8.277 ppm2 0.551 CV 1 ASSI { 893} (( segid "A " and resid 75 and name HN )) ( segid "A " and resid 74 and name HD2%) 4.200 2.200 1.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.67230E-03 ppm1 8.277 ppm2 0.140 CV 1 ASSI { 893} (( segid "B " and resid 75 and name HN )) ( segid "B " and resid 74 and name HD2%) 4.200 2.200 1.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.67230E-03 ppm1 8.277 ppm2 0.140 CV 1 ASSI { 894} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HN )) 2.900 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.277 ppm2 7.736 CV 1 ASSI { 894} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 74 and name HN )) 2.900 1.000 1.000 peak 894 spectrum 1 weight 0.10000E+01 volume 0.22516E-02 ppm1 8.277 ppm2 7.736 CV 1 ASSI { 895} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 76 and name HN )) 2.600 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 8.277 ppm2 7.476 CV 1 ASSI { 895} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 76 and name HN )) 2.600 0.800 0.800 peak 895 spectrum 1 weight 0.10000E+01 volume 0.34166E-02 ppm1 8.277 ppm2 7.476 CV 1 ASSI { 896} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 76 and name HA )) 4.500 2.500 1.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.60685E-03 ppm1 8.277 ppm2 4.684 CV 1 ASSI { 896} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 76 and name HA )) 4.500 2.500 1.500 peak 896 spectrum 1 weight 0.10000E+01 volume 0.60685E-03 ppm1 8.277 ppm2 4.684 CV 1 ASSI { 897} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HA )) 2.800 1.000 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.30451E-02 ppm1 8.277 ppm2 4.555 CV 1 ASSI { 897} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 75 and name HA )) 2.800 1.000 1.000 peak 897 spectrum 1 weight 0.10000E+01 volume 0.30451E-02 ppm1 8.277 ppm2 4.555 CV 1 ASSI { 899} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HA )) 3.200 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 8.277 ppm2 3.473 CV 1 ASSI { 899} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 74 and name HA )) 3.200 1.300 1.300 peak 899 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 8.277 ppm2 3.473 CV 1 ASSI { 900} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 72 and name HA )) 3.300 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 8.277 ppm2 3.299 CV 1 ASSI { 900} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 72 and name HA )) 3.300 1.300 1.300 peak 900 spectrum 1 weight 0.10000E+01 volume 0.13461E-02 ppm1 8.277 ppm2 3.299 CV 1 ASSI { 902} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 58 and name HB3 )) 3.800 1.800 1.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.57352E-03 ppm1 8.915 ppm2 2.780 CV 1 ASSI { 902} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 58 and name HB3 )) 3.800 1.800 1.800 peak 902 spectrum 1 weight 0.10000E+01 volume 0.57352E-03 ppm1 8.915 ppm2 2.780 CV 1 ASSI { 903} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 126 and name HB3 )) 3.800 1.800 1.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.23080E-02 ppm1 8.926 ppm2 2.434 CV 1 ASSI { 903} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 126 and name HB3 )) 3.800 1.800 1.800 peak 903 spectrum 1 weight 0.10000E+01 volume 0.23080E-02 ppm1 8.926 ppm2 2.434 CV 1 ASSI { 904} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 126 and name HB2 )) 3.400 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 8.926 ppm2 2.196 CV 1 ASSI { 904} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 126 and name HB2 )) 3.400 1.400 1.400 peak 904 spectrum 1 weight 0.10000E+01 volume 0.17155E-02 ppm1 8.926 ppm2 2.196 CV 1 ASSI { 905} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 126 and name HG2 )) 4.700 2.800 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.46299E-03 ppm1 8.926 ppm2 1.958 CV 1 ASSI { 905} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 126 and name HG2 )) 4.700 2.800 1.300 peak 905 spectrum 1 weight 0.10000E+01 volume 0.46299E-03 ppm1 8.926 ppm2 1.958 CV 1 ASSI { 906} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 58 and name HB2 )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.47209E-03 ppm1 8.926 ppm2 1.763 CV 1 ASSI { 906} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 58 and name HB2 )) 4.000 2.000 2.000 peak 906 spectrum 1 weight 0.10000E+01 volume 0.47209E-03 ppm1 8.926 ppm2 1.763 CV 1 ASSI { 907} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 127 and name HA )) 3.200 1.300 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.13041E-02 ppm1 8.926 ppm2 5.139 CV 1 ASSI { 907} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 127 and name HA )) 3.200 1.300 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.13041E-02 ppm1 8.926 ppm2 5.139 CV 1 ASSI { 908} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 126 and name HA )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 8.926 ppm2 4.403 CV 1 ASSI { 908} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 126 and name HA )) 2.200 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.10447E-01 ppm1 8.926 ppm2 4.403 CV 1 ASSI { 910} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 127 and name HB2 )) 3.000 1.100 1.100 peak 910 spectrum 1 weight 0.10000E+01 volume 0.18877E-02 ppm1 8.926 ppm2 3.689 CV 1 OR { 910} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 127 and name HB3 )) ASSI { 910} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 127 and name HB2 )) 3.000 1.100 1.100 peak 910 spectrum 1 weight 0.10000E+01 volume 0.18877E-02 ppm1 8.926 ppm2 3.689 CV 1 OR { 910} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 127 and name HB3 )) ASSI { 911} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 58 and name HN )) 4.600 2.600 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.32441E-03 ppm1 8.937 ppm2 8.017 CV 1 ASSI { 911} (( segid "B " and resid 127 and name HN )) (( segid "B " and resid 58 and name HN )) 4.600 2.600 1.400 peak 911 spectrum 1 weight 0.10000E+01 volume 0.32441E-03 ppm1 8.937 ppm2 8.017 CV 1 ASSI { 912} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HN )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.43039E-02 ppm1 7.941 ppm2 8.450 CV 1 ASSI { 912} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 19 and name HN )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.43039E-02 ppm1 7.941 ppm2 8.450 CV 1 ASSI { 917} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 20 and name HN )) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 7.941 ppm2 7.130 CV 1 ASSI { 917} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 20 and name HN )) 3.700 1.700 1.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 7.941 ppm2 7.130 CV 1 ASSI { 918} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 18 and name HA )) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.86173E-02 ppm1 7.941 ppm2 4.122 CV 1 ASSI { 918} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 18 and name HA )) 2.400 0.700 0.700 peak 918 spectrum 1 weight 0.10000E+01 volume 0.86173E-02 ppm1 7.941 ppm2 4.122 CV 1 ASSI { 920} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 15 and name HA )) 3.200 1.300 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 7.941 ppm2 3.278 CV 1 ASSI { 920} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 15 and name HA )) 3.200 1.300 1.300 peak 920 spectrum 1 weight 0.10000E+01 volume 0.15074E-02 ppm1 7.941 ppm2 3.278 CV 1 ASSI { 924} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HN )) 2.300 0.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.62770E-02 ppm1 7.995 ppm2 8.298 CV 1 ASSI { 924} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 82 and name HN )) 2.300 0.600 0.600 peak 924 spectrum 1 weight 0.10000E+01 volume 0.62770E-02 ppm1 7.995 ppm2 8.298 CV 1 ASSI { 925} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HG3 )) 2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.27356E-02 ppm1 7.995 ppm2 1.525 CV 1 ASSI { 925} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 83 and name HG3 )) 2.600 0.900 0.900 peak 925 spectrum 1 weight 0.10000E+01 volume 0.27356E-02 ppm1 7.995 ppm2 1.525 CV 1 ASSI { 926} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 80 and name HA )) 4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 7.995 ppm2 5.009 CV 1 ASSI { 926} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 80 and name HA )) 4.300 2.300 1.700 peak 926 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 7.995 ppm2 5.009 CV 1 ASSI { 927} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HA )) 2.700 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.28821E-02 ppm1 7.995 ppm2 4.858 CV 1 ASSI { 927} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 83 and name HA )) 2.700 0.900 0.900 peak 927 spectrum 1 weight 0.10000E+01 volume 0.28821E-02 ppm1 7.995 ppm2 4.858 CV 1 ASSI { 929} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 81 and name HA )) 3.600 1.600 1.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.82888E-03 ppm1 7.995 ppm2 3.559 CV 1 ASSI { 929} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 81 and name HA )) 3.600 1.600 1.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.82888E-03 ppm1 7.995 ppm2 3.559 CV 1 ASSI { 931} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 80 and name HB3 )) 4.100 2.100 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.87226E-03 ppm1 7.995 ppm2 2.910 CV 1 ASSI { 931} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 80 and name HB3 )) 4.100 2.100 1.900 peak 931 spectrum 1 weight 0.10000E+01 volume 0.87226E-03 ppm1 7.995 ppm2 2.910 CV 1 ASSI { 932} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HG3 )) 4.900 3.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37429E-03 ppm1 8.006 ppm2 2.326 CV 1 ASSI { 932} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 82 and name HG3 )) 4.900 3.100 1.100 peak 932 spectrum 1 weight 0.10000E+01 volume 0.37429E-03 ppm1 8.006 ppm2 2.326 CV 1 ASSI { 934} (( segid "A " and resid 75 and name HN )) ( segid "A " and resid 74 and name HD1%) 4.700 2.800 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.73465E-03 ppm1 8.287 ppm2 -0.076 CV 1 ASSI { 934} (( segid "B " and resid 75 and name HN )) ( segid "B " and resid 74 and name HD1%) 4.700 2.800 1.300 peak 934 spectrum 1 weight 0.10000E+01 volume 0.73465E-03 ppm1 8.287 ppm2 -0.076 CV 1 ASSI { 935} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.56033E-02 ppm1 7.649 ppm2 1.720 CV 1 OR { 935} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HB3 )) ASSI { 935} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HB2 )) 2.400 0.700 0.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.56033E-02 ppm1 7.649 ppm2 1.720 CV 1 OR { 935} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HB3 )) ASSI { 938} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 25 and name HD1%) 5.100 3.300 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.41934E-03 ppm1 7.649 ppm2 0.573 CV 1 ASSI { 938} (( segid "B " and resid 29 and name HN )) ( segid "B " and resid 25 and name HD1%) 5.100 3.300 0.900 peak 938 spectrum 1 weight 0.10000E+01 volume 0.41934E-03 ppm1 7.649 ppm2 0.573 CV 1 ASSI { 939} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 26 and name HN )) 3.900 1.900 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.87537E-03 ppm1 7.649 ppm2 9.250 CV 1 ASSI { 939} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 26 and name HN )) 3.900 1.900 1.900 peak 939 spectrum 1 weight 0.10000E+01 volume 0.87537E-03 ppm1 7.649 ppm2 9.250 CV 1 ASSI { 941} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 30 and name HN )) 2.400 0.700 0.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.46922E-02 ppm1 7.649 ppm2 9.056 CV 1 ASSI { 941} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 30 and name HN )) 2.400 0.700 0.700 peak 941 spectrum 1 weight 0.10000E+01 volume 0.46922E-02 ppm1 7.649 ppm2 9.056 CV 1 ASSI { 942} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HA )) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.33927E-02 ppm1 7.649 ppm2 4.511 CV 1 ASSI { 942} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HA )) 2.700 0.900 0.900 peak 942 spectrum 1 weight 0.10000E+01 volume 0.33927E-02 ppm1 7.649 ppm2 4.511 CV 1 ASSI { 943} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 26 and name HB3 )) 4.400 2.400 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.72147E-03 ppm1 7.649 ppm2 4.317 CV 1 ASSI { 943} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 26 and name HB3 )) 4.400 2.400 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.72147E-03 ppm1 7.649 ppm2 4.317 CV 1 ASSI { 944} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 26 and name HB2 )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.73081E-03 ppm1 7.649 ppm2 4.078 CV 1 ASSI { 944} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 26 and name HB2 )) 3.700 1.700 1.700 peak 944 spectrum 1 weight 0.10000E+01 volume 0.73081E-03 ppm1 7.649 ppm2 4.078 CV 1 ASSI { 945} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HA )) 3.300 1.400 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 7.649 ppm2 3.754 CV 1 ASSI { 945} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HA )) 3.300 1.400 1.400 peak 945 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 7.649 ppm2 3.754 CV 1 ASSI { 946} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB3 )) 3.200 1.300 1.300 peak 946 spectrum 1 weight 0.10000E+01 volume 0.47355E-02 ppm1 7.649 ppm2 2.953 CV 1 ASSI { 946} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HB3 )) 3.200 1.300 1.300 peak 946 spectrum 1 weight 0.10000E+01 volume 0.47355E-02 ppm1 7.649 ppm2 2.953 CV 1 ASSI { 947} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.33711E-02 ppm1 7.649 ppm2 2.564 CV 1 ASSI { 947} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 29 and name HB2 )) 2.400 0.700 0.700 peak 947 spectrum 1 weight 0.10000E+01 volume 0.33711E-02 ppm1 7.649 ppm2 2.564 CV 1 ASSI { 948} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HG13)) 2.300 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.39394E-02 ppm1 7.746 ppm2 1.720 CV 1 ASSI { 948} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 40 and name HG13)) 2.300 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.39394E-02 ppm1 7.746 ppm2 1.720 CV 1 ASSI { 949} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 40 and name HD1%) 3.300 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.51143E-02 ppm1 7.746 ppm2 0.768 CV 1 ASSI { 949} (( segid "B " and resid 40 and name HN )) ( segid "B " and resid 40 and name HD1%) 3.300 1.300 1.300 peak 949 spectrum 1 weight 0.10000E+01 volume 0.51143E-02 ppm1 7.746 ppm2 0.768 CV 1 ASSI { 950} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.52437E-02 ppm1 7.746 ppm2 0.681 CV 1 ASSI { 950} (( segid "B " and resid 40 and name HN )) ( segid "B " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 950 spectrum 1 weight 0.10000E+01 volume 0.52437E-02 ppm1 7.746 ppm2 0.681 CV 1 ASSI { 951} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 37 and name HA )) 4.500 2.600 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.59485E-03 ppm1 7.746 ppm2 5.247 CV 1 ASSI { 951} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 37 and name HA )) 4.500 2.600 1.500 peak 951 spectrum 1 weight 0.10000E+01 volume 0.59485E-03 ppm1 7.746 ppm2 5.247 CV 1 ASSI { 952} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 38 and name HA )) 3.800 1.800 1.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.84253E-03 ppm1 7.746 ppm2 4.641 CV 1 ASSI { 952} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 38 and name HA )) 3.800 1.800 1.800 peak 952 spectrum 1 weight 0.10000E+01 volume 0.84253E-03 ppm1 7.746 ppm2 4.641 CV 1 ASSI { 953} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HA )) 2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.24984E-02 ppm1 7.746 ppm2 4.295 CV 1 ASSI { 953} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 40 and name HA )) 2.700 0.900 0.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.24984E-02 ppm1 7.746 ppm2 4.295 CV 1 ASSI { 956} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.24696E-02 ppm1 7.746 ppm2 2.629 CV 1 ASSI { 956} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 37 and name HB2 )) 3.300 1.400 1.400 peak 956 spectrum 1 weight 0.10000E+01 volume 0.24696E-02 ppm1 7.746 ppm2 2.629 CV 1 ASSI { 957} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HA )) 3.200 1.300 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.18716E-02 ppm1 7.757 ppm2 4.490 CV 1 ASSI { 957} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 39 and name HA )) 3.200 1.300 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.18716E-02 ppm1 7.757 ppm2 4.490 CV 1 ASSI { 958} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 84 and name HD2 )) 4.800 2.900 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.47569E-03 ppm1 7.995 ppm2 3.343 CV 1 ASSI { 958} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 84 and name HD2 )) 4.800 2.900 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.47569E-03 ppm1 7.995 ppm2 3.343 CV 1 ASSI { 959} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 80 and name HB2 )) 3.900 1.900 1.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.69388E-03 ppm1 7.995 ppm2 2.629 CV 1 ASSI { 959} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 80 and name HB2 )) 3.900 1.900 1.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.69388E-03 ppm1 7.995 ppm2 2.629 CV 1 ASSI { 963} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.54067E-02 ppm1 8.363 ppm2 7.563 CV 1 ASSI { 963} (( segid "B " and resid 107 and name HN )) ( segid "B " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 963 spectrum 1 weight 0.10000E+01 volume 0.54067E-02 ppm1 8.363 ppm2 7.563 CV 1 ASSI { 964} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 107 and name HE% ) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.75837E-03 ppm1 8.363 ppm2 7.086 CV 1 ASSI { 964} (( segid "B " and resid 107 and name HN )) ( segid "B " and resid 107 and name HE% ) 4.400 2.400 1.600 peak 964 spectrum 1 weight 0.10000E+01 volume 0.75837E-03 ppm1 8.363 ppm2 7.086 CV 1 ASSI { 965} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 107 and name HA )) 3.000 1.100 1.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.18661E-02 ppm1 8.363 ppm2 4.706 CV 1 ASSI { 965} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 107 and name HA )) 3.000 1.100 1.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.18661E-02 ppm1 8.363 ppm2 4.706 CV 1 ASSI { 967} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 106 and name HA2 )) 4.400 2.400 1.600 peak 967 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 8.363 ppm2 4.360 CV 1 ASSI { 967} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 106 and name HA2 )) 4.300 2.400 1.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.12513E-02 ppm1 8.363 ppm2 4.360 CV 1 ASSI { 968} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 106 and name HA1 )) 3.200 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.93508E-03 ppm1 8.363 ppm2 3.711 CV 1 ASSI { 968} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 106 and name HA1 )) 3.200 1.300 1.300 peak 968 spectrum 1 weight 0.10000E+01 volume 0.93508E-03 ppm1 8.363 ppm2 3.711 CV 1 ASSI { 969} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 107 and name HB2 )) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 8.363 ppm2 2.650 CV 1 ASSI { 969} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 107 and name HB2 )) 2.900 1.100 1.100 peak 969 spectrum 1 weight 0.10000E+01 volume 0.15865E-02 ppm1 8.363 ppm2 2.650 CV 1 ASSI { 972} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HB3 )) 3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.34837E-02 ppm1 8.547 ppm2 2.455 CV 1 ASSI { 972} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HB3 )) 3.500 1.500 1.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.34837E-02 ppm1 8.547 ppm2 2.455 CV 1 ASSI { 973} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HG2 )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 8.547 ppm2 2.304 CV 1 ASSI { 973} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HG2 )) 3.400 1.500 1.500 peak 973 spectrum 1 weight 0.10000E+01 volume 0.18184E-02 ppm1 8.547 ppm2 2.304 CV 1 ASSI { 974} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.25511E-02 ppm1 8.547 ppm2 1.979 CV 1 ASSI { 974} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 974 spectrum 1 weight 0.10000E+01 volume 0.25511E-02 ppm1 8.547 ppm2 1.979 CV 1 ASSI { 976} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 15 and name HB )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 8.547 ppm2 1.720 CV 1 ASSI { 976} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 15 and name HB )) 4.200 2.200 1.800 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11480E-02 ppm1 8.547 ppm2 1.720 CV 1 ASSI { 979} (( segid "A " and resid 14 and name HN )) ( segid "A " and resid 15 and name HG2%) 4.100 2.100 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 8.547 ppm2 0.443 CV 1 ASSI { 979} (( segid "B " and resid 14 and name HN )) ( segid "B " and resid 15 and name HG2%) 4.100 2.100 1.900 peak 979 spectrum 1 weight 0.10000E+01 volume 0.14930E-02 ppm1 8.547 ppm2 0.443 CV 1 ASSI { 983} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 13 and name HA )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.25223E-02 ppm1 8.547 ppm2 4.122 CV 1 ASSI { 983} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 13 and name HA )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.25223E-02 ppm1 8.547 ppm2 4.122 CV 1 ASSI { 984} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HA )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.36278E-02 ppm1 8.547 ppm2 4.035 CV 1 ASSI { 984} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HA )) 2.700 0.900 0.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.36278E-02 ppm1 8.547 ppm2 4.035 CV 1 ASSI { 985} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 14 and name HG3 )) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.46226E-02 ppm1 8.547 ppm2 2.867 CV 1 ASSI { 985} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 14 and name HG3 )) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.46226E-02 ppm1 8.547 ppm2 2.867 CV 1 ASSI { 986} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 31 and name HN )) 3.700 1.700 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 7.638 ppm2 8.753 CV 1 ASSI { 986} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 31 and name HN )) 3.700 1.700 1.700 peak 986 spectrum 1 weight 0.10000E+01 volume 0.13372E-02 ppm1 7.638 ppm2 8.753 CV 1 ASSI { 987} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HG2 )) 4.800 2.800 1.200 peak 987 spectrum 1 weight 0.10000E+01 volume 0.45820E-03 ppm1 7.649 ppm2 1.244 CV 1 ASSI { 987} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HG2 )) 4.800 2.800 1.200 peak 987 spectrum 1 weight 0.10000E+01 volume 0.45820E-03 ppm1 7.649 ppm2 1.244 CV 1 ASSI { 988} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 25 and name HD2%) 4.900 3.000 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.52987E-03 ppm1 7.649 ppm2 0.941 CV 1 ASSI { 988} (( segid "B " and resid 29 and name HN )) ( segid "B " and resid 25 and name HD2%) 4.900 3.000 1.100 peak 988 spectrum 1 weight 0.10000E+01 volume 0.52987E-03 ppm1 7.649 ppm2 0.941 CV 1 ASSI { 989} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 30 and name HA )) 4.500 2.500 1.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.67974E-03 ppm1 7.649 ppm2 3.949 CV 1 ASSI { 989} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 30 and name HA )) 4.500 2.500 1.500 peak 989 spectrum 1 weight 0.10000E+01 volume 0.67974E-03 ppm1 7.649 ppm2 3.949 CV 1 ASSI { 990} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.67037E-03 ppm1 7.746 ppm2 7.130 CV 1 ASSI { 990} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 41 and name HN )) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.67037E-03 ppm1 7.746 ppm2 7.130 CV 1 ASSI { 991} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 37 and name HB3 )) 3.300 1.400 1.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.81881E-03 ppm1 7.746 ppm2 2.910 CV 1 ASSI { 991} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 37 and name HB3 )) 3.300 1.400 1.400 peak 991 spectrum 1 weight 0.10000E+01 volume 0.81881E-03 ppm1 7.746 ppm2 2.910 CV 1 ASSI { 992} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HB )) 2.200 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.86316E-02 ppm1 7.757 ppm2 1.850 CV 1 ASSI { 992} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 40 and name HB )) 2.200 0.600 0.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.86316E-02 ppm1 7.757 ppm2 1.850 CV 1 ASSI { 993} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 107 and name HB3 )) 3.500 1.600 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 8.363 ppm2 2.932 CV 1 ASSI { 993} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 107 and name HB3 )) 3.500 1.600 1.600 peak 993 spectrum 1 weight 0.10000E+01 volume 0.21018E-02 ppm1 8.363 ppm2 2.932 CV 1 ASSI { 995} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 79 and name HG )) 3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.27356E-02 ppm1 8.601 ppm2 1.417 CV 1 ASSI { 995} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 79 and name HG )) 3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.27356E-02 ppm1 8.601 ppm2 1.417 CV 1 ASSI { 996} (( segid "A " and resid 80 and name HN )) ( segid "A " and resid 79 and name HD2%) 3.300 1.400 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 8.601 ppm2 0.876 CV 1 ASSI { 996} (( segid "B " and resid 80 and name HN )) ( segid "B " and resid 79 and name HD2%) 3.300 1.400 1.400 peak 996 spectrum 1 weight 0.10000E+01 volume 0.24144E-02 ppm1 8.601 ppm2 0.876 CV 1 ASSI { 997} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HA )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 8.601 ppm2 5.009 CV 1 ASSI { 997} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 80 and name HA )) 2.700 0.900 0.900 peak 997 spectrum 1 weight 0.10000E+01 volume 0.18709E-02 ppm1 8.601 ppm2 5.009 CV 1 ASSI { 998} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 79 and name HA )) 2.100 0.500 0.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.78548E-02 ppm1 8.601 ppm2 4.273 CV 1 ASSI { 998} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 79 and name HA )) 2.100 0.500 0.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.78548E-02 ppm1 8.601 ppm2 4.273 CV 1 ASSI { 1000} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HB3 )) 3.200 1.300 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.45099E-02 ppm1 8.601 ppm2 2.910 CV 1 ASSI { 1000} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 80 and name HB3 )) 3.200 1.300 1.300 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.45099E-02 ppm1 8.601 ppm2 2.910 CV 1 ASSI { 1001} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.34358E-02 ppm1 8.601 ppm2 2.629 CV 1 ASSI { 1001} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 80 and name HB2 )) 2.500 0.800 0.800 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.34358E-02 ppm1 8.601 ppm2 2.629 CV 1 ASSI { 1005} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HB3 )) 3.000 1.100 1.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22526E-02 ppm1 7.790 ppm2 2.066 CV 1 OR { 1005} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HB2 )) ASSI { 1005} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 5 and name HB3 )) 3.000 1.100 1.100 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.22526E-02 ppm1 7.790 ppm2 2.066 CV 1 OR { 1005} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 5 and name HB2 )) ASSI { 1007} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HB2 )) 2.300 0.700 0.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.76701E-02 ppm1 7.790 ppm2 1.828 CV 1 OR { 1007} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HB3 )) ASSI { 1007} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HB2 )) 2.300 0.700 0.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.76701E-02 ppm1 7.790 ppm2 1.828 CV 1 OR { 1007} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HB3 )) ASSI { 1008} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HD3 )) 4.300 2.300 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 7.790 ppm2 1.611 CV 1 OR { 1008} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HD2 )) ASSI { 1008} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HD3 )) 4.300 2.300 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.14216E-02 ppm1 7.790 ppm2 1.611 CV 1 OR { 1008} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HD2 )) ASSI { 1009} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HG3 )) 3.800 1.800 1.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.790 ppm2 1.460 CV 1 ASSI { 1009} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HG3 )) 3.800 1.800 1.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.10581E-02 ppm1 7.790 ppm2 1.460 CV 1 ASSI { 1011} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HG2 )) 2.900 1.100 1.100 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.87155E-03 ppm1 7.790 ppm2 1.373 CV 1 ASSI { 1011} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HG2 )) 2.900 1.100 1.100 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.87155E-03 ppm1 7.790 ppm2 1.373 CV 1 ASSI { 1013} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 3 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.94683E-03 ppm1 7.790 ppm2 4.425 CV 1 ASSI { 1013} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 3 and name HA )) 3.400 1.400 1.400 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.94683E-03 ppm1 7.790 ppm2 4.425 CV 1 ASSI { 1015} (( segid "A " and resid 128 and name HN )) ( segid "A " and resid 128 and name HD2%) 6.000 6.000 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.056 ppm2 0.703 CV 1 ASSI { 1015} (( segid "B " and resid 128 and name HN )) ( segid "B " and resid 128 and name HD2%) 6.000 6.000 0.000 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.056 ppm2 0.703 CV 1 ASSI { 1016} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HB2 )) 4.400 2.400 1.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.65816E-03 ppm1 7.606 ppm2 2.629 CV 1 ASSI { 1016} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 107 and name HB2 )) 4.400 2.400 1.600 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.65816E-03 ppm1 7.606 ppm2 2.629 CV 1 ASSI { 1017} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 81 and name HB2 )) 4.000 2.000 2.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.78596E-03 ppm1 7.617 ppm2 0.897 CV 1 ASSI { 1017} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 81 and name HB2 )) 4.000 2.000 2.000 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.78596E-03 ppm1 7.617 ppm2 0.897 CV 1 ASSI { 1019} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HA )) 3.200 1.300 1.300 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.81737E-03 ppm1 7.638 ppm2 5.637 CV 1 ASSI { 1019} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 45 and name HA )) 3.200 1.300 1.300 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.81737E-03 ppm1 7.638 ppm2 5.637 CV 1 ASSI { 1020} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HG2 )) 4.600 2.600 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.60374E-03 ppm1 7.790 ppm2 2.304 CV 1 ASSI { 1020} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 5 and name HG2 )) 4.600 2.600 1.400 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.60374E-03 ppm1 7.790 ppm2 2.304 CV 1 ASSI { 1022} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 105 and name HD% ) 3.800 1.800 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 8.060 ppm2 7.433 CV 1 ASSI { 1022} (( segid "B " and resid 104 and name HN )) ( segid "B " and resid 105 and name HD% ) 3.800 1.800 1.800 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.10130E-02 ppm1 8.060 ppm2 7.433 CV 1 ASSI { 1023} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HA )) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.64232E-02 ppm1 8.060 ppm2 4.143 CV 1 ASSI { 1023} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 104 and name HA )) 2.500 0.800 0.800 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.64232E-02 ppm1 8.060 ppm2 4.143 CV 1 ASSI { 1024} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HG2 )) 3.000 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.21339E-02 ppm1 8.071 ppm2 2.304 CV 1 ASSI { 1024} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 104 and name HG2 )) 3.000 1.100 1.100 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.21339E-02 ppm1 8.071 ppm2 2.304 CV 1 ASSI { 1025} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.52581E-02 ppm1 8.071 ppm2 2.109 CV 1 ASSI { 1025} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 104 and name HB2 )) 2.200 0.600 0.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.52581E-02 ppm1 8.071 ppm2 2.109 CV 1 ASSI { 1026} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HB2 )) 3.400 1.400 1.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.18186E-02 ppm1 8.071 ppm2 2.001 CV 1 ASSI { 1026} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 103 and name HB2 )) 3.400 1.400 1.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.18186E-02 ppm1 8.071 ppm2 2.001 CV 1 ASSI { 1027} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HG3 )) 3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.59223E-03 ppm1 8.071 ppm2 1.893 CV 1 ASSI { 1027} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 103 and name HG3 )) 3.100 1.200 1.200 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.59223E-03 ppm1 8.071 ppm2 1.893 CV 1 ASSI { 1028} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HN )) 2.300 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.61955E-02 ppm1 8.071 ppm2 8.168 CV 1 ASSI { 1028} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 103 and name HN )) 2.300 0.700 0.700 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.61955E-02 ppm1 8.071 ppm2 8.168 CV 1 ASSI { 1030} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HA )) 3.300 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.88593E-03 ppm1 8.071 ppm2 4.555 CV 1 ASSI { 1030} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 103 and name HA )) 3.300 1.400 1.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.88593E-03 ppm1 8.071 ppm2 4.555 CV 1 ASSI { 1032} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HB3 )) 3.300 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.45722E-02 ppm1 8.071 ppm2 2.693 CV 1 ASSI { 1032} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 104 and name HB3 )) 3.300 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.45722E-02 ppm1 8.071 ppm2 2.693 CV 1 ASSI { 1033} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HG3 )) 3.200 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.46610E-02 ppm1 8.071 ppm2 2.585 CV 1 ASSI { 1033} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 104 and name HG3 )) 3.200 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.46610E-02 ppm1 8.071 ppm2 2.585 CV 1 ASSI { 1035} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HB3 )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 8.158 ppm2 2.845 CV 1 ASSI { 1035} (( segid "B " and resid 88 and name HN )) (( segid "B " and resid 88 and name HB3 )) 3.000 1.100 1.100 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.13825E-02 ppm1 8.158 ppm2 2.845 CV 1 ASSI { 1036} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HB2 )) 3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 8.168 ppm2 2.455 CV 1 ASSI { 1036} (( segid "B " and resid 88 and name HN )) (( segid "B " and resid 88 and name HB2 )) 3.100 1.200 1.200 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 8.168 ppm2 2.455 CV 1 ASSI { 1037} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 87 and name HN )) 3.700 1.700 1.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.85907E-03 ppm1 8.168 ppm2 9.142 CV 1 ASSI { 1037} (( segid "B " and resid 88 and name HN )) (( segid "B " and resid 87 and name HN )) 3.700 1.700 1.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.85907E-03 ppm1 8.168 ppm2 9.142 CV 1 ASSI { 1038} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HA )) 2.900 1.100 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.12137E-02 ppm1 8.168 ppm2 5.507 CV 1 ASSI { 1038} (( segid "B " and resid 88 and name HN )) (( segid "B " and resid 88 and name HA )) 2.900 1.100 1.100 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.12137E-02 ppm1 8.168 ppm2 5.507 CV 1 ASSI { 1039} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 87 and name HA )) 2.300 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.50951E-02 ppm1 8.168 ppm2 4.901 CV 1 ASSI { 1039} (( segid "B " and resid 88 and name HN )) (( segid "B " and resid 87 and name HA )) 2.300 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.50951E-02 ppm1 8.168 ppm2 4.901 CV 1 ASSI { 1040} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 85 and name HB )) 2.300 0.700 0.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.49296E-02 ppm1 8.764 ppm2 1.958 CV 1 ASSI { 1040} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 85 and name HB )) 2.300 0.700 0.700 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.49296E-02 ppm1 8.764 ppm2 1.958 CV 1 ASSI { 1041} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 86 and name HB )) 2.700 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.32392E-02 ppm1 8.764 ppm2 1.893 CV 1 ASSI { 1041} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 86 and name HB )) 2.700 0.900 0.900 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.32392E-02 ppm1 8.764 ppm2 1.893 CV 1 ASSI { 1045} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.25919E-02 ppm1 8.764 ppm2 0.659 CV 1 ASSI { 1045} (( segid "B " and resid 86 and name HN )) ( segid "B " and resid 40 and name HG2%) 3.100 1.200 1.200 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.25919E-02 ppm1 8.764 ppm2 0.659 CV 1 ASSI { 1047} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 87 and name HN )) 3.300 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 8.764 ppm2 9.142 CV 1 ASSI { 1047} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 87 and name HN )) 3.300 1.400 1.400 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 8.764 ppm2 9.142 CV 1 ASSI { 1048} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 85 and name HA )) 2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.48863E-02 ppm1 8.764 ppm2 5.269 CV 1 ASSI { 1048} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 85 and name HA )) 2.400 0.700 0.700 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.48863E-02 ppm1 8.764 ppm2 5.269 CV 1 ASSI { 1049} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 86 and name HG2%) 6.000 6.000 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.774 ppm2 0.854 CV 1 ASSI { 1049} (( segid "B " and resid 86 and name HN )) ( segid "B " and resid 86 and name HG2%) 6.000 6.000 0.000 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 8.774 ppm2 0.854 CV 1 ASSI { 1052} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 9.056 ppm2 1.785 CV 1 ASSI { 1052} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 58 and name HB2 )) 3.200 1.300 1.300 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10593E-02 ppm1 9.056 ppm2 1.785 CV 1 ASSI { 1053} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 128 and name HB2 )) 2.400 0.700 0.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 9.056 ppm2 1.309 CV 1 ASSI { 1053} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 128 and name HB2 )) 2.400 0.700 0.700 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.35484E-02 ppm1 9.056 ppm2 1.309 CV 1 ASSI { 1055} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 56 and name HG2 )) 5.300 3.500 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.58527E-03 ppm1 9.056 ppm2 0.962 CV 1 ASSI { 1055} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 56 and name HG2 )) 5.300 3.500 0.700 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.58527E-03 ppm1 9.056 ppm2 0.962 CV 1 ASSI { 1056} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 128 and name HB3 )) 6.000 6.000 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.056 ppm2 1.395 CV 1 ASSI { 1056} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 128 and name HB3 )) 6.000 6.000 0.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.056 ppm2 1.395 CV 1 ASSI { 1058} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HA )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.44547E-02 ppm1 9.056 ppm2 5.139 CV 1 ASSI { 1058} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 127 and name HA )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.44547E-02 ppm1 9.056 ppm2 5.139 CV 1 ASSI { 1059} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 128 and name HA )) 2.900 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 9.056 ppm2 4.663 CV 1 ASSI { 1059} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 128 and name HA )) 2.900 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.18061E-02 ppm1 9.056 ppm2 4.663 CV 1 ASSI { 1061} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 57 and name HA )) 4.100 2.100 1.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.58454E-03 ppm1 9.056 ppm2 4.014 CV 1 ASSI { 1061} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 57 and name HA )) 4.100 2.100 1.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.58454E-03 ppm1 9.056 ppm2 4.014 CV 1 ASSI { 1062} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HB3 )) 2.600 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.44907E-02 ppm1 9.056 ppm2 3.689 CV 1 OR { 1062} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HB2 )) ASSI { 1062} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 127 and name HB3 )) 2.600 0.900 0.900 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.44907E-02 ppm1 9.056 ppm2 3.689 CV 1 OR { 1062} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 127 and name HB2 )) ASSI { 1065} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 87 and name HB )) 3.900 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.95858E-03 ppm1 9.142 ppm2 1.850 CV 1 ASSI { 1065} (( segid "B " and resid 87 and name HN )) (( segid "B " and resid 87 and name HB )) 3.900 1.900 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.95858E-03 ppm1 9.142 ppm2 1.850 CV 1 ASSI { 1067} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 87 and name HG2%) 5.100 3.300 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.142 ppm2 0.768 CV 1 ASSI { 1067} (( segid "B " and resid 87 and name HN )) ( segid "B " and resid 87 and name HG2%) 5.100 3.300 0.900 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 9.142 ppm2 0.768 CV 1 ASSI { 1070} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 86 and name HA )) 2.100 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.53277E-02 ppm1 9.142 ppm2 4.836 CV 1 ASSI { 1070} (( segid "B " and resid 87 and name HN )) (( segid "B " and resid 86 and name HA )) 2.100 0.600 0.600 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.53277E-02 ppm1 9.142 ppm2 4.836 CV 1 ASSI { 1071} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HB2 )) 2.100 0.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.86173E-02 ppm1 7.617 ppm2 1.828 CV 1 OR { 1071} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HB3 )) ASSI { 1071} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HB2 )) 2.100 0.600 0.600 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.86173E-02 ppm1 7.617 ppm2 1.828 CV 1 OR { 1071} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HB3 )) ASSI { 1072} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HN )) 4.300 2.300 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.57544E-03 ppm1 7.617 ppm2 8.342 CV 1 ASSI { 1072} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 107 and name HN )) 4.300 2.300 1.700 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.57544E-03 ppm1 7.617 ppm2 8.342 CV 1 ASSI { 1073} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HG3 )) 3.600 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 7.617 ppm2 1.590 CV 1 ASSI { 1073} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HG3 )) 3.600 1.600 1.600 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.24480E-02 ppm1 7.617 ppm2 1.590 CV 1 ASSI { 1074} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HG2 )) 4.000 2.000 2.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.617 ppm2 1.395 CV 1 ASSI { 1074} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HG2 )) 4.000 2.000 2.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.15570E-02 ppm1 7.617 ppm2 1.395 CV 1 ASSI { 1075} (( segid "A " and resid 108 and name HN )) ( segid "A " and resid 110 and name HD1%) 3.900 1.900 1.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.93605E-03 ppm1 7.617 ppm2 0.746 CV 1 ASSI { 1075} (( segid "B " and resid 108 and name HN )) ( segid "B " and resid 110 and name HD1%) 3.900 1.900 1.900 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.93605E-03 ppm1 7.617 ppm2 0.746 CV 1 ASSI { 1077} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HA )) 2.300 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.66680E-02 ppm1 7.617 ppm2 4.706 CV 1 ASSI { 1077} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 107 and name HA )) 2.300 0.700 0.700 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.66680E-02 ppm1 7.617 ppm2 4.706 CV 1 ASSI { 1078} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HA )) 2.900 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 7.617 ppm2 4.273 CV 1 ASSI { 1078} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HA )) 2.900 1.000 1.000 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.25008E-02 ppm1 7.617 ppm2 4.273 CV 1 ASSI { 1080} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 81 and name HA )) 4.400 2.400 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.49919E-03 ppm1 7.617 ppm2 3.559 CV 1 ASSI { 1080} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 81 and name HA )) 4.400 2.400 1.600 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.49919E-03 ppm1 7.617 ppm2 3.559 CV 1 ASSI { 1082} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.53323E-03 ppm1 7.638 ppm2 2.304 CV 1 ASSI { 1082} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 45 and name HB )) 4.200 2.200 1.800 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.53323E-03 ppm1 7.638 ppm2 2.304 CV 1 ASSI { 1084} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.69748E-03 ppm1 7.638 ppm2 9.337 CV 1 ASSI { 1084} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 47 and name HN )) 4.100 2.100 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.69748E-03 ppm1 7.638 ppm2 9.337 CV 1 ASSI { 1085} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 45 and name HG2%) 4.300 2.300 1.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.92094E-03 ppm1 7.638 ppm2 0.681 CV 1 ASSI { 1085} (( segid "B " and resid 46 and name HN )) ( segid "B " and resid 45 and name HG2%) 4.300 2.300 1.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.92094E-03 ppm1 7.638 ppm2 0.681 CV 1 ASSI { 1086} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 44 and name HA )) 4.200 2.200 1.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.96386E-03 ppm1 7.638 ppm2 5.117 CV 1 ASSI { 1086} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 44 and name HA )) 4.200 2.200 1.800 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.96386E-03 ppm1 7.638 ppm2 5.117 CV 1 ASSI { 1087} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HA )) 2.800 1.000 1.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.20421E-02 ppm1 7.638 ppm2 4.122 CV 1 ASSI { 1087} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 46 and name HA )) 2.800 1.000 1.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.20421E-02 ppm1 7.638 ppm2 4.122 CV 1 ASSI { 1088} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 45 and name HG1%) 5.200 3.300 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.53851E-03 ppm1 7.649 ppm2 0.854 CV 1 ASSI { 1088} (( segid "B " and resid 46 and name HN )) ( segid "B " and resid 45 and name HG1%) 5.200 3.300 0.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.53851E-03 ppm1 7.649 ppm2 0.854 CV 1 ASSI { 1091} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 45 and name HN )) 3.300 1.300 1.300 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 7.649 ppm2 8.731 CV 1 ASSI { 1091} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 45 and name HN )) 3.300 1.300 1.300 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.22982E-02 ppm1 7.649 ppm2 8.731 CV 1 ASSI { 1092} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HG2 )) 4.700 2.800 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.67950E-03 ppm1 8.006 ppm2 2.304 CV 1 ASSI { 1092} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HG2 )) 4.700 2.700 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.67950E-03 ppm1 8.006 ppm2 2.304 CV 1 ASSI { 1094} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HB3 )) 2.600 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.43924E-02 ppm1 8.006 ppm2 1.828 CV 1 ASSI { 1094} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 12 and name HB3 )) 2.600 0.800 0.800 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.43924E-02 ppm1 8.006 ppm2 1.828 CV 1 ASSI { 1095} (( segid "A " and resid 13 and name HN )) ( segid "A " and resid 13 and name HB% ) 2.200 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.12262E-01 ppm1 8.006 ppm2 1.525 CV 1 ASSI { 1095} (( segid "B " and resid 13 and name HN )) ( segid "B " and resid 13 and name HB% ) 2.200 0.600 0.600 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.12262E-01 ppm1 8.006 ppm2 1.525 CV 1 ASSI { 1096} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 11 and name HA )) 4.000 2.000 2.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 8.006 ppm2 4.922 CV 1 ASSI { 1096} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 11 and name HA )) 4.000 2.000 2.000 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 8.006 ppm2 4.922 CV 1 ASSI { 1097} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 10 and name HB )) 4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.51861E-03 ppm1 8.006 ppm2 4.295 CV 1 ASSI { 1097} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 10 and name HB )) 4.200 2.200 1.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.51861E-03 ppm1 8.006 ppm2 4.295 CV 1 ASSI { 1098} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HN )) 2.600 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.31745E-02 ppm1 8.006 ppm2 8.774 CV 1 ASSI { 1098} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 12 and name HN )) 2.600 0.800 0.800 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.31745E-02 ppm1 8.006 ppm2 8.774 CV 1 ASSI { 1099} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 13 and name HA )) 2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.64089E-02 ppm1 8.006 ppm2 4.122 CV 1 ASSI { 1099} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 13 and name HA )) 2.500 0.800 0.800 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.64089E-02 ppm1 8.006 ppm2 4.122 CV 1 ASSI { 1100} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HA )) 4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.85620E-03 ppm1 8.006 ppm2 4.035 CV 1 ASSI { 1100} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HA )) 4.400 2.400 1.600 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.85620E-03 ppm1 8.006 ppm2 4.035 CV 1 ASSI { 1101} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 8.006 ppm2 3.884 CV 1 ASSI { 1101} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 10 and name HA )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.17640E-02 ppm1 8.006 ppm2 3.884 CV 1 ASSI { 1102} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HG3 )) 4.400 2.500 1.600 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.60804E-03 ppm1 8.006 ppm2 2.867 CV 1 ASSI { 1102} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HG3 )) 4.400 2.400 1.600 peak 1102 spectrum 1 weight 0.10000E+01 volume 0.60804E-03 ppm1 8.006 ppm2 2.867 CV 1 ASSI { 1103} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HB3 )) 6.000 4.500 0.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.30979E-03 ppm1 8.017 ppm2 2.477 CV 1 ASSI { 1103} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HB3 )) 6.000 4.500 0.000 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.30979E-03 ppm1 8.017 ppm2 2.477 CV 1 ASSI { 1104} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HB2 )) 4.100 2.100 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10025E-02 ppm1 8.017 ppm2 1.979 CV 1 ASSI { 1104} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HB2 )) 4.100 2.100 1.900 peak 1104 spectrum 1 weight 0.10000E+01 volume 0.10025E-02 ppm1 8.017 ppm2 1.979 CV 1 ASSI { 1105} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HB2 )) 3.000 1.200 1.200 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.55530E-02 ppm1 8.017 ppm2 1.741 CV 1 ASSI { 1105} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 12 and name HB2 )) 3.000 1.200 1.200 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.55530E-02 ppm1 8.017 ppm2 1.741 CV 1 ASSI { 1108} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 12 and name HA )) 3.100 1.200 1.200 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.18131E-02 ppm1 8.017 ppm2 3.408 CV 1 ASSI { 1108} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 12 and name HA )) 3.100 1.200 1.200 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.18131E-02 ppm1 8.017 ppm2 3.408 CV 1 ASSI { 1109} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 14 and name HN )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.41311E-02 ppm1 8.017 ppm2 8.536 CV 1 ASSI { 1109} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 14 and name HN )) 2.500 0.800 0.800 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.41311E-02 ppm1 8.017 ppm2 8.536 CV 1 ASSI { 1111} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HB3 )) 3.200 1.300 1.300 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 8.417 ppm2 2.455 CV 1 ASSI { 1111} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HB3 )) 3.200 1.300 1.300 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.16721E-02 ppm1 8.417 ppm2 2.455 CV 1 ASSI { 1112} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HG2 )) 5.400 3.700 0.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.27022E-03 ppm1 8.417 ppm2 2.304 CV 1 ASSI { 1112} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HG2 )) 5.400 3.700 0.600 peak 1112 spectrum 1 weight 0.10000E+01 volume 0.27022E-03 ppm1 8.417 ppm2 2.304 CV 1 ASSI { 1113} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 8.417 ppm2 1.979 CV 1 ASSI { 1113} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.14189E-02 ppm1 8.417 ppm2 1.979 CV 1 ASSI { 1114} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 16 and name HB2 )) 3.900 1.900 1.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 8.417 ppm2 1.850 CV 1 OR { 1114} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 16 and name HB3 )) ASSI { 1114} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 16 and name HB2 )) 3.900 1.900 1.900 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.16292E-02 ppm1 8.417 ppm2 1.850 CV 1 OR { 1114} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 16 and name HB3 )) ASSI { 1115} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HB )) 2.300 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.53301E-02 ppm1 8.417 ppm2 1.720 CV 1 ASSI { 1115} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 15 and name HB )) 2.300 0.700 0.700 peak 1115 spectrum 1 weight 0.10000E+01 volume 0.53301E-02 ppm1 8.417 ppm2 1.720 CV 1 ASSI { 1116} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 12 and name HD3 )) 4.100 2.100 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 8.417 ppm2 1.611 CV 1 OR { 1116} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 12 and name HD2 )) ASSI { 1116} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 12 and name HD3 )) 4.100 2.100 1.900 peak 1116 spectrum 1 weight 0.10000E+01 volume 0.10190E-02 ppm1 8.417 ppm2 1.611 CV 1 OR { 1116} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 12 and name HD2 )) ASSI { 1117} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 13 and name HB% ) 4.300 2.400 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.96603E-03 ppm1 8.417 ppm2 1.547 CV 1 ASSI { 1117} (( segid "B " and resid 15 and name HN )) ( segid "B " and resid 13 and name HB% ) 4.300 2.300 1.700 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.96603E-03 ppm1 8.417 ppm2 1.547 CV 1 ASSI { 1119} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 15 and name HG1%) 3.600 1.600 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.30091E-02 ppm1 8.417 ppm2 0.768 CV 1 ASSI { 1119} (( segid "B " and resid 15 and name HN )) ( segid "B " and resid 15 and name HG1%) 3.600 1.600 1.600 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.30091E-02 ppm1 8.417 ppm2 0.768 CV 1 ASSI { 1120} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 15 and name HG2%) 2.900 1.100 1.100 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.47810E-02 ppm1 8.417 ppm2 0.443 CV 1 ASSI { 1120} (( segid "B " and resid 15 and name HN )) ( segid "B " and resid 15 and name HG2%) 2.900 1.100 1.100 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.47810E-02 ppm1 8.417 ppm2 0.443 CV 1 ASSI { 1125} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HA )) 3.500 1.500 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 8.417 ppm2 4.035 CV 1 ASSI { 1125} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HA )) 3.500 1.500 1.500 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.10866E-02 ppm1 8.417 ppm2 4.035 CV 1 ASSI { 1126} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 12 and name HA )) 3.400 1.400 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 8.417 ppm2 3.429 CV 1 ASSI { 1126} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 12 and name HA )) 3.400 1.400 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.12530E-02 ppm1 8.417 ppm2 3.429 CV 1 ASSI { 1127} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 15 and name HA )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 8.417 ppm2 3.256 CV 1 ASSI { 1127} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 15 and name HA )) 3.000 1.100 1.100 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 8.417 ppm2 3.256 CV 1 ASSI { 1128} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HG3 )) 5.100 3.200 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.36947E-03 ppm1 8.417 ppm2 2.867 CV 1 ASSI { 1128} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HG3 )) 5.100 3.200 0.900 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.36947E-03 ppm1 8.417 ppm2 2.867 CV 1 ASSI { 1129} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 14 and name HN )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.45267E-02 ppm1 8.417 ppm2 8.515 CV 1 ASSI { 1129} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 14 and name HN )) 2.500 0.800 0.800 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.45267E-02 ppm1 8.417 ppm2 8.515 CV 1 ASSI { 1130} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 13 and name HN )) 4.100 2.100 1.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.53637E-03 ppm1 8.428 ppm2 7.995 CV 1 ASSI { 1130} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 13 and name HN )) 4.100 2.100 1.900 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.53637E-03 ppm1 8.428 ppm2 7.995 CV 1 ASSI { 1131} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HB )) 2.700 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.24360E-02 ppm1 8.569 ppm2 2.455 CV 1 ASSI { 1131} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 59 and name HB )) 2.700 0.900 0.900 peak 1131 spectrum 1 weight 0.10000E+01 volume 0.24360E-02 ppm1 8.569 ppm2 2.455 CV 1 ASSI { 1132} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.49751E-02 ppm1 8.569 ppm2 1.828 CV 1 OR { 1132} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HB3 )) ASSI { 1132} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HB2 )) 2.400 0.700 0.700 peak 1132 spectrum 1 weight 0.10000E+01 volume 0.49751E-02 ppm1 8.569 ppm2 1.828 CV 1 OR { 1132} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HB3 )) ASSI { 1133} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HD3 )) 3.800 1.800 1.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.47905E-03 ppm1 8.569 ppm2 1.676 CV 1 OR { 1133} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HD2 )) ASSI { 1133} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HD3 )) 3.800 1.800 1.800 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.47905E-03 ppm1 8.569 ppm2 1.676 CV 1 OR { 1133} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HD2 )) ASSI { 1134} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HG3 )) 3.700 1.700 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.569 ppm2 1.525 CV 1 ASSI { 1134} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HG3 )) 3.700 1.700 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.12377E-02 ppm1 8.569 ppm2 1.525 CV 1 ASSI { 1135} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HG2 )) 4.700 2.800 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.76750E-03 ppm1 8.569 ppm2 1.417 CV 1 ASSI { 1135} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HG2 )) 4.700 2.800 1.300 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.76750E-03 ppm1 8.569 ppm2 1.417 CV 1 ASSI { 1136} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 59 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 8.569 ppm2 1.006 CV 1 ASSI { 1136} (( segid "B " and resid 60 and name HN )) ( segid "B " and resid 59 and name HG1%) 4.100 2.100 1.900 peak 1136 spectrum 1 weight 0.10000E+01 volume 0.12796E-02 ppm1 8.569 ppm2 1.006 CV 1 ASSI { 1138} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 59 and name HG2%) 3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 8.569 ppm2 0.681 CV 1 ASSI { 1138} (( segid "B " and resid 60 and name HN )) ( segid "B " and resid 59 and name HG2%) 3.600 1.600 1.600 peak 1138 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 8.569 ppm2 0.681 CV 1 ASSI { 1141} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HA )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.48024E-02 ppm1 8.569 ppm2 4.684 CV 1 ASSI { 1141} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 59 and name HA )) 2.500 0.800 0.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.48024E-02 ppm1 8.569 ppm2 4.684 CV 1 ASSI { 1142} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 60 and name HA )) 2.800 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 8.569 ppm2 4.057 CV 1 ASSI { 1142} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 60 and name HA )) 2.800 1.000 1.000 peak 1142 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 8.569 ppm2 4.057 CV 1 ASSI { 1143} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 86 and name HA )) 3.100 1.200 1.200 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.94948E-03 ppm1 8.764 ppm2 4.836 CV 1 ASSI { 1143} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 86 and name HA )) 3.100 1.200 1.200 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.94948E-03 ppm1 8.764 ppm2 4.836 CV 1 ASSI { 1144} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 41 and name HA )) 3.800 1.800 1.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.73200E-03 ppm1 8.764 ppm2 4.230 CV 1 ASSI { 1144} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 41 and name HA )) 3.800 1.800 1.800 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.73200E-03 ppm1 8.764 ppm2 4.230 CV 1 ASSI { 1145} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 129 and name HN )) 4.500 2.600 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.50759E-03 ppm1 9.056 ppm2 8.623 CV 1 ASSI { 1145} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 129 and name HN )) 4.500 2.600 1.500 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.50759E-03 ppm1 9.056 ppm2 8.623 CV 1 ASSI { 1146} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HB3 )) 2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.43421E-02 ppm1 8.179 ppm2 2.109 CV 1 ASSI { 1146} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 103 and name HB3 )) 2.500 0.800 0.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.43421E-02 ppm1 8.179 ppm2 2.109 CV 1 ASSI { 1147} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.44883E-02 ppm1 8.179 ppm2 2.001 CV 1 ASSI { 1147} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 103 and name HB2 )) 3.100 1.200 1.200 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.44883E-02 ppm1 8.179 ppm2 2.001 CV 1 ASSI { 1148} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HG3 )) 2.500 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.36086E-02 ppm1 8.179 ppm2 1.893 CV 1 ASSI { 1148} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 103 and name HG3 )) 2.500 0.800 0.800 peak 1148 spectrum 1 weight 0.10000E+01 volume 0.36086E-02 ppm1 8.179 ppm2 1.893 CV 1 ASSI { 1149} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HG2 )) 2.500 0.800 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.23157E-02 ppm1 8.179 ppm2 1.741 CV 1 ASSI { 1149} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 103 and name HG2 )) 2.500 0.800 0.800 peak 1149 spectrum 1 weight 0.10000E+01 volume 0.23157E-02 ppm1 8.179 ppm2 1.741 CV 1 ASSI { 1150} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HG )) 4.200 2.200 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.82552E-03 ppm1 8.179 ppm2 1.568 CV 1 ASSI { 1150} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 102 and name HG )) 4.200 2.200 1.800 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.82552E-03 ppm1 8.179 ppm2 1.568 CV 1 ASSI { 1153} (( segid "A " and resid 103 and name HN )) ( segid "A " and resid 102 and name HD1%) 4.800 2.800 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.75120E-03 ppm1 8.179 ppm2 0.162 CV 1 ASSI { 1153} (( segid "B " and resid 103 and name HN )) ( segid "B " and resid 102 and name HD1%) 4.800 2.800 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.75120E-03 ppm1 8.179 ppm2 0.162 CV 1 ASSI { 1154} (( segid "A " and resid 103 and name HN )) ( segid "A " and resid 102 and name HD2%) 4.900 3.000 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.49248E-03 ppm1 8.179 ppm2 -0.098 CV 1 ASSI { 1154} (( segid "B " and resid 103 and name HN )) ( segid "B " and resid 102 and name HD2%) 4.900 3.000 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.49248E-03 ppm1 8.179 ppm2 -0.098 CV 1 ASSI { 1156} (( segid "A " and resid 103 and name HN )) ( segid "A " and resid 107 and name HD% ) 4.300 2.300 1.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.47834E-03 ppm1 8.179 ppm2 7.563 CV 1 ASSI { 1156} (( segid "B " and resid 103 and name HN )) ( segid "B " and resid 107 and name HD% ) 4.300 2.300 1.700 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.47834E-03 ppm1 8.179 ppm2 7.563 CV 1 ASSI { 1157} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HA )) 2.600 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.29178E-02 ppm1 8.179 ppm2 4.555 CV 1 ASSI { 1157} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 103 and name HA )) 2.600 0.800 0.800 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.29178E-02 ppm1 8.179 ppm2 4.555 CV 1 ASSI { 1159} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HA )) 3.900 1.900 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.47355E-03 ppm1 8.179 ppm2 3.797 CV 1 ASSI { 1159} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 102 and name HA )) 3.900 1.900 1.900 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.47355E-03 ppm1 8.179 ppm2 3.797 CV 1 ASSI { 1160} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HN )) 2.800 1.000 1.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.24096E-02 ppm1 8.179 ppm2 8.709 CV 1 ASSI { 1160} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 102 and name HN )) 2.800 1.000 1.000 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.24096E-02 ppm1 8.179 ppm2 8.709 CV 1 ASSI { 1163} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HB3 )) 3.200 1.300 1.300 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.19529E-02 ppm1 7.736 ppm2 1.806 CV 1 ASSI { 1163} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 73 and name HB3 )) 3.200 1.300 1.300 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.19529E-02 ppm1 7.736 ppm2 1.806 CV 1 ASSI { 1167} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HB2 )) 4.300 2.300 1.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.65792E-03 ppm1 7.736 ppm2 1.114 CV 1 ASSI { 1167} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 73 and name HB2 )) 4.300 2.300 1.700 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.65792E-03 ppm1 7.736 ppm2 1.114 CV 1 ASSI { 1168} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.27692E-02 ppm1 7.736 ppm2 0.551 CV 1 ASSI { 1168} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 74 and name HB2 )) 2.800 1.000 1.000 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.27692E-02 ppm1 7.736 ppm2 0.551 CV 1 ASSI { 1170} (( segid "A " and resid 74 and name HN )) ( segid "A " and resid 74 and name HD1%) 3.900 1.900 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 7.736 ppm2 -0.076 CV 1 ASSI { 1170} (( segid "B " and resid 74 and name HN )) ( segid "B " and resid 74 and name HD1%) 3.900 1.900 1.900 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.22068E-02 ppm1 7.736 ppm2 -0.076 CV 1 ASSI { 1173} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HA )) 2.900 1.100 1.100 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 7.736 ppm2 4.035 CV 1 ASSI { 1173} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 73 and name HA )) 2.900 1.100 1.100 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.15115E-02 ppm1 7.736 ppm2 4.035 CV 1 ASSI { 1174} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HA )) 2.600 0.800 0.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.32871E-02 ppm1 7.736 ppm2 3.494 CV 1 ASSI { 1174} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 74 and name HA )) 2.600 0.800 0.800 peak 1174 spectrum 1 weight 0.10000E+01 volume 0.32871E-02 ppm1 7.736 ppm2 3.494 CV 1 ASSI { 1176} (( segid "A " and resid 98 and name HN )) ( segid "A " and resid 97 and name HD1%) 4.800 2.900 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 8.872 ppm2 1.027 CV 1 ASSI { 1176} (( segid "B " and resid 98 and name HN )) ( segid "B " and resid 97 and name HD1%) 4.800 2.900 1.200 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.43637E-03 ppm1 8.872 ppm2 1.027 CV 1 ASSI { 1177} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HB2 )) 3.400 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.69027E-03 ppm1 7.324 ppm2 2.261 CV 1 OR { 1177} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HB3 )) ASSI { 1177} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 125 and name HB2 )) 3.400 1.500 1.500 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.69027E-03 ppm1 7.324 ppm2 2.261 CV 1 OR { 1177} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 125 and name HB3 )) ASSI { 1180} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 123 and name HB3 )) 3.900 1.900 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.62052E-03 ppm1 7.335 ppm2 2.044 CV 1 ASSI { 1180} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 123 and name HB3 )) 3.900 1.900 1.900 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.62052E-03 ppm1 7.335 ppm2 2.044 CV 1 ASSI { 1181} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 126 and name HD2 )) 4.700 2.800 1.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.95956E-03 ppm1 7.335 ppm2 2.477 CV 1 ASSI { 1181} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 126 and name HD2 )) 4.700 2.800 1.300 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.95956E-03 ppm1 7.335 ppm2 2.477 CV 1 ASSI { 1183} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 123 and name HB2 )) 4.400 2.500 1.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.79625E-03 ppm1 7.335 ppm2 1.763 CV 1 ASSI { 1183} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 123 and name HB2 )) 4.400 2.500 1.600 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.79625E-03 ppm1 7.335 ppm2 1.763 CV 1 ASSI { 1184} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HG )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.35869E-02 ppm1 7.335 ppm2 0.681 CV 1 ASSI { 1184} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 125 and name HG )) 2.500 0.800 0.800 peak 1184 spectrum 1 weight 0.10000E+01 volume 0.35869E-02 ppm1 7.335 ppm2 0.681 CV 1 ASSI { 1186} (( segid "A " and resid 125 and name HN )) ( segid "A " and resid 125 and name HD1%) 3.100 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.85190E-02 ppm1 7.335 ppm2 -0.228 CV 1 ASSI { 1186} (( segid "B " and resid 125 and name HN )) ( segid "B " and resid 125 and name HD1%) 3.100 1.200 1.200 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.85190E-02 ppm1 7.335 ppm2 -0.228 CV 1 ASSI { 1188} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 120 and name HD1 )) 4.200 2.200 1.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.62147E-03 ppm1 7.335 ppm2 6.589 CV 1 ASSI { 1188} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 120 and name HD1 )) 4.200 2.200 1.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.62147E-03 ppm1 7.335 ppm2 6.589 CV 1 ASSI { 1189} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 123 and name HA )) 3.700 1.700 1.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 7.335 ppm2 4.252 CV 1 ASSI { 1189} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 123 and name HA )) 3.700 1.700 1.700 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.12698E-02 ppm1 7.335 ppm2 4.252 CV 1 ASSI { 1191} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 124 and name HA1 )) 2.800 1.000 1.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.30521E-02 ppm1 7.335 ppm2 3.711 CV 1 ASSI { 1191} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 124 and name HA1 )) 2.800 1.000 1.000 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.30521E-02 ppm1 7.335 ppm2 3.711 CV 1 ASSI { 1192} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 126 and name HD3 )) 4.600 2.600 1.400 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 7.335 ppm2 3.278 CV 1 ASSI { 1192} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 126 and name HD3 )) 4.600 2.600 1.400 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.11401E-02 ppm1 7.335 ppm2 3.278 CV 1 ASSI { 1193} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 120 and name HE1 )) 4.800 2.900 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.36995E-03 ppm1 7.335 ppm2 9.813 CV 1 ASSI { 1193} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 120 and name HE1 )) 4.800 2.900 1.200 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.36995E-03 ppm1 7.335 ppm2 9.813 CV 1 ASSI { 1194} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HB2 )) 3.400 1.400 1.400 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 8.861 ppm2 1.676 CV 1 ASSI { 1194} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 97 and name HB2 )) 3.400 1.400 1.400 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 8.861 ppm2 1.676 CV 1 ASSI { 1196} (( segid "A " and resid 98 and name HN )) ( segid "A " and resid 98 and name HB% ) 2.400 0.700 0.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.47905E-02 ppm1 8.861 ppm2 1.330 CV 1 ASSI { 1196} (( segid "B " and resid 98 and name HN )) ( segid "B " and resid 98 and name HB% ) 2.400 0.700 0.700 peak 1196 spectrum 1 weight 0.10000E+01 volume 0.47905E-02 ppm1 8.861 ppm2 1.330 CV 1 ASSI { 1198} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 98 and name HA )) 2.900 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 8.861 ppm2 4.446 CV 1 ASSI { 1198} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 98 and name HA )) 2.900 1.100 1.100 peak 1198 spectrum 1 weight 0.10000E+01 volume 0.19282E-02 ppm1 8.861 ppm2 4.446 CV 1 ASSI { 1199} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 99 and name HN )) 2.000 0.500 0.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.15983E-01 ppm1 8.861 ppm2 8.839 CV 1 ASSI { 1199} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 99 and name HN )) 2.000 0.500 0.500 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.15983E-01 ppm1 8.861 ppm2 8.839 CV 1 ASSI { 1200} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 95 and name HA )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 8.861 ppm2 3.711 CV 1 ASSI { 1200} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 95 and name HA )) 3.200 1.300 1.300 peak 1200 spectrum 1 weight 0.10000E+01 volume 0.12132E-02 ppm1 8.861 ppm2 3.711 CV 1 ASSI { 1201} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 99 and name HA2 )) 4.800 2.800 1.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.48576E-03 ppm1 8.861 ppm2 3.559 CV 1 OR { 1201} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 99 and name HA1 )) ASSI { 1201} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 99 and name HA2 )) 4.800 2.800 1.200 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.48576E-03 ppm1 8.861 ppm2 3.559 CV 1 OR { 1201} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 99 and name HA1 )) ASSI { 1202} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HB3 )) 2.900 1.000 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24888E-02 ppm1 8.872 ppm2 1.958 CV 1 ASSI { 1202} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 97 and name HB3 )) 2.900 1.000 1.000 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.24888E-02 ppm1 8.872 ppm2 1.958 CV 1 ASSI { 1203} (( segid "A " and resid 98 and name HN )) ( segid "A " and resid 97 and name HD2%) 3.800 1.800 1.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.18268E-02 ppm1 8.872 ppm2 0.724 CV 1 ASSI { 1203} (( segid "B " and resid 98 and name HN )) ( segid "B " and resid 97 and name HD2%) 3.800 1.800 1.800 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.18268E-02 ppm1 8.872 ppm2 0.724 CV 1 ASSI { 1204} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HA )) 3.000 1.100 1.100 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.19517E-02 ppm1 8.872 ppm2 3.884 CV 1 ASSI { 1204} (( segid "B " and resid 98 and name HN )) (( segid "B " and resid 97 and name HA )) 3.000 1.100 1.100 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.19517E-02 ppm1 8.872 ppm2 3.884 CV 1 ASSI { 1206} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HA )) 3.500 1.500 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.68621E-03 ppm1 9.326 ppm2 5.009 CV 1 ASSI { 1206} (( segid "B " and resid 47 and name HN )) (( segid "B " and resid 47 and name HA )) 3.500 1.500 1.500 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.68621E-03 ppm1 9.326 ppm2 5.009 CV 1 ASSI { 1211} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HA )) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.14547E-02 ppm1 9.337 ppm2 4.122 CV 1 ASSI { 1211} (( segid "B " and resid 47 and name HN )) (( segid "B " and resid 46 and name HA )) 3.000 1.100 1.100 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.14547E-02 ppm1 9.337 ppm2 4.122 CV 1 ASSI { 1212} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB3 )) 3.700 1.700 1.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 9.337 ppm2 3.170 CV 1 ASSI { 1212} (( segid "B " and resid 47 and name HN )) (( segid "B " and resid 47 and name HB3 )) 3.700 1.700 1.700 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.13269E-02 ppm1 9.337 ppm2 3.170 CV 1 ASSI { 1213} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB2 )) 3.300 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.89384E-03 ppm1 9.337 ppm2 2.737 CV 1 ASSI { 1213} (( segid "B " and resid 47 and name HN )) (( segid "B " and resid 47 and name HB2 )) 3.300 1.300 1.300 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.89384E-03 ppm1 9.337 ppm2 2.737 CV 1 ASSI { 1214} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 126 and name HB2 )) 3.800 1.800 1.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.71329E-03 ppm1 8.017 ppm2 2.196 CV 1 OR { 1214} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 126 and name HG3 )) ASSI { 1214} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 126 and name HB2 )) 3.800 1.800 1.800 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.71329E-03 ppm1 8.017 ppm2 2.196 CV 1 OR { 1214} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 126 and name HG3 )) ASSI { 1215} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB2 )) 2.900 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.22085E-02 ppm1 8.017 ppm2 1.763 CV 1 ASSI { 1215} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 58 and name HB2 )) 2.900 1.100 1.100 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.22085E-02 ppm1 8.017 ppm2 1.763 CV 1 ASSI { 1218} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HB3 )) 4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 8.017 ppm2 0.768 CV 1 ASSI { 1218} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 57 and name HB3 )) 4.100 2.100 1.900 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.10058E-02 ppm1 8.017 ppm2 0.768 CV 1 ASSI { 1220} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 8.017 ppm2 0.248 CV 1 ASSI { 1220} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 57 and name HB2 )) 3.600 1.600 1.600 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.10904E-02 ppm1 8.017 ppm2 0.248 CV 1 ASSI { 1221} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 127 and name HA )) 2.700 0.900 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.31818E-02 ppm1 8.017 ppm2 5.139 CV 1 ASSI { 1221} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 127 and name HA )) 2.700 0.900 0.900 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.31818E-02 ppm1 8.017 ppm2 5.139 CV 1 ASSI { 1222} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HA )) 3.000 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.18428E-02 ppm1 8.017 ppm2 4.403 CV 1 ASSI { 1222} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 58 and name HA )) 3.000 1.100 1.100 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.18428E-02 ppm1 8.017 ppm2 4.403 CV 1 ASSI { 1223} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HA )) 2.400 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.41910E-02 ppm1 8.017 ppm2 4.014 CV 1 ASSI { 1223} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 57 and name HA )) 2.400 0.700 0.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.41910E-02 ppm1 8.017 ppm2 4.014 CV 1 ASSI { 1224} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 58 and name HB3 )) 2.600 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.23049E-02 ppm1 8.017 ppm2 2.780 CV 1 ASSI { 1224} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 58 and name HB3 )) 2.600 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.23049E-02 ppm1 8.017 ppm2 2.780 CV 1 ASSI { 1225} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 126 and name HB3 )) 5.500 3.800 0.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.40472E-03 ppm1 8.028 ppm2 2.434 CV 1 ASSI { 1225} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 126 and name HB3 )) 5.500 3.800 0.500 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.40472E-03 ppm1 8.028 ppm2 2.434 CV 1 ASSI { 1226} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 120 and name HZ2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.95739E-03 ppm1 8.028 ppm2 7.043 CV 1 ASSI { 1226} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 120 and name HZ2 )) 3.700 1.700 1.700 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.95739E-03 ppm1 8.028 ppm2 7.043 CV 1 ASSI { 1228} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 127 and name HB2 )) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 8.028 ppm2 3.689 CV 1 OR { 1228} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 127 and name HB3 )) ASSI { 1228} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 127 and name HB2 )) 4.200 2.200 1.800 peak 1228 spectrum 1 weight 0.10000E+01 volume 0.89506E-03 ppm1 8.028 ppm2 3.689 CV 1 OR { 1228} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 127 and name HB3 )) ASSI { 1229} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 116 and name HN )) 5.100 3.300 0.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.35869E-03 ppm1 7.205 ppm2 7.995 CV 1 ASSI { 1229} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 116 and name HN )) 5.100 3.300 0.900 peak 1229 spectrum 1 weight 0.10000E+01 volume 0.35869E-03 ppm1 7.205 ppm2 7.995 CV 1 ASSI { 1230} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 71 and name HN )) 2.900 1.000 1.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 7.270 ppm2 10.224 CV 1 ASSI { 1230} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 71 and name HN )) 2.900 1.000 1.000 peak 1230 spectrum 1 weight 0.10000E+01 volume 0.15690E-02 ppm1 7.270 ppm2 10.224 CV 1 ASSI { 1232} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 73 and name HB3 )) 4.200 2.200 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.98376E-03 ppm1 7.270 ppm2 1.785 CV 1 ASSI { 1232} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 73 and name HB3 )) 4.200 2.200 1.800 peak 1232 spectrum 1 weight 0.10000E+01 volume 0.98376E-03 ppm1 7.270 ppm2 1.785 CV 1 ASSI { 1233} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HB2 )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.41049E-02 ppm1 7.270 ppm2 1.417 CV 1 ASSI { 1233} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 70 and name HB2 )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.41049E-02 ppm1 7.270 ppm2 1.417 CV 1 ASSI { 1234} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HG )) 3.700 1.700 1.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.63896E-03 ppm1 7.270 ppm2 0.984 CV 1 ASSI { 1234} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 70 and name HG )) 3.700 1.700 1.700 peak 1234 spectrum 1 weight 0.10000E+01 volume 0.63896E-03 ppm1 7.270 ppm2 0.984 CV 1 ASSI { 1235} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HD2%) 3.300 1.300 1.300 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 7.270 ppm2 0.638 CV 1 ASSI { 1235} (( segid "B " and resid 70 and name HN )) ( segid "B " and resid 70 and name HD2%) 3.300 1.300 1.300 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 7.270 ppm2 0.638 CV 1 ASSI { 1237} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 68 and name HN )) 4.100 2.100 1.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.52340E-03 ppm1 7.270 ppm2 8.709 CV 1 ASSI { 1237} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 68 and name HN )) 4.100 2.100 1.900 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.52340E-03 ppm1 7.270 ppm2 8.709 CV 1 ASSI { 1239} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.26158E-02 ppm1 7.270 ppm2 3.278 CV 1 ASSI { 1239} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 70 and name HA )) 2.800 1.000 1.000 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.26158E-02 ppm1 7.270 ppm2 3.278 CV 1 ASSI { 1240} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HB3 )) 2.300 0.700 0.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.42654E-02 ppm1 7.281 ppm2 1.655 CV 1 ASSI { 1240} (( segid "B " and resid 70 and name HN )) (( segid "B " and resid 70 and name HB3 )) 2.300 0.700 0.700 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.42654E-02 ppm1 7.281 ppm2 1.655 CV 1 ASSI { 1242} (( segid "A " and resid 89 and name HN )) ( segid "A " and resid 88 and name HD% ) 3.500 1.500 1.500 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 7.195 ppm2 6.935 CV 1 ASSI { 1242} (( segid "B " and resid 89 and name HN )) ( segid "B " and resid 88 and name HD% ) 3.500 1.500 1.500 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.14657E-02 ppm1 7.195 ppm2 6.935 CV 1 ASSI { 1243} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HB2 )) 3.700 1.700 1.700 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.11492E-02 ppm1 7.205 ppm2 2.477 CV 1 ASSI { 1243} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 88 and name HB2 )) 3.700 1.700 1.700 peak 1243 spectrum 1 weight 0.10000E+01 volume 0.11492E-02 ppm1 7.205 ppm2 2.477 CV 1 ASSI { 1245} (( segid "A " and resid 89 and name HN )) ( segid "A " and resid 95 and name HB% ) 3.200 1.300 1.300 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 7.205 ppm2 1.135 CV 1 ASSI { 1245} (( segid "B " and resid 89 and name HN )) ( segid "B " and resid 95 and name HB% ) 3.200 1.300 1.300 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.17393E-02 ppm1 7.205 ppm2 1.135 CV 1 ASSI { 1246} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HA )) 2.200 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.63274E-02 ppm1 7.205 ppm2 5.485 CV 1 ASSI { 1246} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 88 and name HA )) 2.200 0.600 0.600 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.63274E-02 ppm1 7.205 ppm2 5.485 CV 1 ASSI { 1248} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.10912E-02 ppm1 7.205 ppm2 4.425 CV 1 ASSI { 1248} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 113 and name HB3 )) 3.000 1.100 1.100 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.10912E-02 ppm1 7.205 ppm2 4.425 CV 1 ASSI { 1249} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 113 and name HB2 )) 3.700 1.700 1.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.52676E-03 ppm1 7.205 ppm2 3.408 CV 1 ASSI { 1249} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 113 and name HB2 )) 3.700 1.700 1.700 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.52676E-03 ppm1 7.205 ppm2 3.408 CV 1 ASSI { 1250} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 116 and name HA1 )) 3.600 1.600 1.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.78188E-03 ppm1 7.205 ppm2 3.148 CV 1 ASSI { 1250} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 116 and name HA1 )) 3.600 1.600 1.600 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.78188E-03 ppm1 7.205 ppm2 3.148 CV 1 ASSI { 1251} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HB3 )) 4.200 2.200 1.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.35988E-03 ppm1 7.205 ppm2 2.867 CV 1 ASSI { 1251} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 88 and name HB3 )) 4.200 2.200 1.800 peak 1251 spectrum 1 weight 0.10000E+01 volume 0.35988E-03 ppm1 7.205 ppm2 2.867 CV 1 ASSI { 1252} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HG3 )) 4.100 2.100 1.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.20473E-02 ppm1 7.833 ppm2 2.455 CV 1 ASSI { 1252} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 122 and name HG3 )) 4.100 2.100 1.900 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.20473E-02 ppm1 7.833 ppm2 2.455 CV 1 ASSI { 1253} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HB2 )) 2.100 0.500 0.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.13652E-01 ppm1 7.833 ppm2 2.261 CV 1 OR { 1253} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HB3 )) ASSI { 1253} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 122 and name HB2 )) 2.100 0.500 0.500 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.13652E-01 ppm1 7.833 ppm2 2.261 CV 1 OR { 1253} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 122 and name HB3 )) ASSI { 1258} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HB2 )) 2.900 1.100 1.100 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.18726E-02 ppm1 7.844 ppm2 1.503 CV 1 ASSI { 1258} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 121 and name HB2 )) 2.900 1.100 1.100 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.18726E-02 ppm1 7.844 ppm2 1.503 CV 1 ASSI { 1259} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 121 and name HD2%) 4.000 2.000 2.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.17944E-02 ppm1 7.844 ppm2 1.027 CV 1 OR { 1259} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 121 and name HD1%) ASSI { 1259} (( segid "B " and resid 122 and name HN )) ( segid "B " and resid 121 and name HD2%) 4.000 2.000 2.000 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.17944E-02 ppm1 7.844 ppm2 1.027 CV 1 OR { 1259} (( segid "B " and resid 122 and name HN )) ( segid "B " and resid 121 and name HD1%) ASSI { 1262} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HA )) 2.600 0.800 0.800 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.46995E-02 ppm1 7.844 ppm2 3.992 CV 1 ASSI { 1262} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 122 and name HA )) 2.600 0.800 0.800 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.46995E-02 ppm1 7.844 ppm2 3.992 CV 1 ASSI { 1263} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HN )) 2.600 0.900 0.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.29083E-02 ppm1 7.844 ppm2 8.536 CV 1 ASSI { 1263} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 121 and name HN )) 2.600 0.900 0.900 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.29083E-02 ppm1 7.844 ppm2 8.536 CV 1 ASSI { 1264} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HB )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.14805E-02 ppm1 7.141 ppm2 1.850 CV 1 ASSI { 1264} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 40 and name HB )) 3.600 1.600 1.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.14805E-02 ppm1 7.141 ppm2 1.850 CV 1 ASSI { 1265} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 85 and name HG1%) 2.800 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 7.141 ppm2 1.049 CV 1 ASSI { 1265} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 85 and name HG1%) 2.800 1.000 1.000 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.14650E-02 ppm1 7.141 ppm2 1.049 CV 1 ASSI { 1267} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 40 and name HG2%) 2.800 1.000 1.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.44358E-02 ppm1 7.141 ppm2 0.659 CV 1 ASSI { 1267} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 40 and name HG2%) 2.800 1.000 1.000 peak 1267 spectrum 1 weight 0.10000E+01 volume 0.44358E-02 ppm1 7.141 ppm2 0.659 CV 1 ASSI { 1269} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HA )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.68765E-02 ppm1 7.141 ppm2 4.295 CV 1 ASSI { 1269} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 40 and name HA )) 2.200 0.600 0.600 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.68765E-02 ppm1 7.141 ppm2 4.295 CV 1 ASSI { 1270} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 86 and name HN )) 4.300 2.300 1.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.58551E-03 ppm1 7.141 ppm2 8.753 CV 1 ASSI { 1270} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 86 and name HN )) 4.300 2.300 1.700 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.58551E-03 ppm1 7.141 ppm2 8.753 CV 1 ASSI { 1271} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HB )) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.30713E-02 ppm1 7.141 ppm2 3.624 CV 1 ASSI { 1271} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 41 and name HB )) 2.700 0.900 0.900 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.30713E-02 ppm1 7.141 ppm2 3.624 CV 1 ASSI { 1277} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HN )) 3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.75575E-03 ppm1 7.433 ppm2 9.315 CV 1 ASSI { 1277} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 47 and name HN )) 3.900 1.900 1.900 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.75575E-03 ppm1 7.433 ppm2 9.315 CV 1 ASSI { 1278} (( segid "A " and resid 50 and name HN )) ( segid "A " and resid 51 and name HD1%) 4.200 2.200 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.77708E-03 ppm1 7.433 ppm2 0.335 CV 1 ASSI { 1278} (( segid "B " and resid 50 and name HN )) ( segid "B " and resid 51 and name HD1%) 4.200 2.200 1.800 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.77708E-03 ppm1 7.433 ppm2 0.335 CV 1 ASSI { 1280} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HB3 )) 4.300 2.300 1.700 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.71570E-03 ppm1 7.433 ppm2 3.191 CV 1 ASSI { 1280} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 47 and name HB3 )) 4.300 2.300 1.700 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.71570E-03 ppm1 7.433 ppm2 3.191 CV 1 ASSI { 1284} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HA )) 3.600 1.600 1.600 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.98208E-03 ppm1 7.444 ppm2 4.295 CV 1 ASSI { 1284} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 49 and name HA )) 3.600 1.600 1.600 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.98208E-03 ppm1 7.444 ppm2 4.295 CV 1 ASSI { 1290} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HB3 )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.94948E-03 ppm1 8.504 ppm2 1.979 CV 1 ASSI { 1290} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 119 and name HB3 )) 3.700 1.700 1.700 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.94948E-03 ppm1 8.504 ppm2 1.979 CV 1 ASSI { 1291} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HB2 )) 3.300 1.400 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 8.504 ppm2 1.806 CV 1 ASSI { 1291} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 119 and name HB2 )) 3.300 1.400 1.400 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.10562E-02 ppm1 8.504 ppm2 1.806 CV 1 ASSI { 1292} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HD2 )) 4.200 2.200 1.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.97992E-03 ppm1 8.504 ppm2 1.655 CV 1 ASSI { 1292} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 119 and name HD2 )) 4.200 2.200 1.800 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.97992E-03 ppm1 8.504 ppm2 1.655 CV 1 ASSI { 1293} (( segid "A " and resid 120 and name HN )) ( segid "A " and resid 125 and name HD1%) 4.700 2.700 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.55026E-03 ppm1 8.504 ppm2 -0.206 CV 1 ASSI { 1293} (( segid "B " and resid 120 and name HN )) ( segid "B " and resid 125 and name HD1%) 4.700 2.700 1.300 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.55026E-03 ppm1 8.504 ppm2 -0.206 CV 1 ASSI { 1294} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 122 and name HN )) 4.200 2.200 1.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.34526E-03 ppm1 8.504 ppm2 7.822 CV 1 ASSI { 1294} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 122 and name HN )) 4.200 2.200 1.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.34526E-03 ppm1 8.504 ppm2 7.822 CV 1 ASSI { 1295} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HE3 )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.80633E-03 ppm1 8.504 ppm2 7.627 CV 1 ASSI { 1295} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 120 and name HE3 )) 4.000 2.000 2.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.80633E-03 ppm1 8.504 ppm2 7.627 CV 1 ASSI { 1297} (( segid "A " and resid 120 and name HN )) ( segid "A " and resid 88 and name HD% ) 5.200 3.400 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.40161E-03 ppm1 8.504 ppm2 6.935 CV 1 ASSI { 1297} (( segid "B " and resid 120 and name HN )) ( segid "B " and resid 88 and name HD% ) 5.200 3.400 0.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.40161E-03 ppm1 8.504 ppm2 6.935 CV 1 ASSI { 1298} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HD1 )) 4.800 2.900 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.63875E-03 ppm1 8.504 ppm2 6.589 CV 1 ASSI { 1298} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 120 and name HD1 )) 4.800 2.900 1.200 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.63875E-03 ppm1 8.504 ppm2 6.589 CV 1 ASSI { 1301} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HA )) 2.600 0.800 0.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.42654E-02 ppm1 8.504 ppm2 3.797 CV 1 ASSI { 1301} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 120 and name HA )) 2.600 0.800 0.800 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.42654E-02 ppm1 8.504 ppm2 3.797 CV 1 ASSI { 1302} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HB2 )) 2.700 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 8.504 ppm2 3.451 CV 1 OR { 1302} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HB3 )) ASSI { 1302} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 120 and name HB2 )) 2.700 0.900 0.900 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.27789E-02 ppm1 8.504 ppm2 3.451 CV 1 OR { 1302} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 120 and name HB3 )) ASSI { 1304} (( segid "A " and resid 120 and name HN )) ( segid "A " and resid 88 and name HE% ) 5.000 3.100 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.41623E-03 ppm1 8.515 ppm2 6.697 CV 1 ASSI { 1304} (( segid "B " and resid 120 and name HN )) ( segid "B " and resid 88 and name HE% ) 5.000 3.100 1.000 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.41623E-03 ppm1 8.515 ppm2 6.697 CV 1 ASSI { 1305} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HB3 )) 3.900 1.900 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.92836E-03 ppm1 8.926 ppm2 2.217 CV 1 OR { 1305} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HB2 )) ASSI { 1305} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 24 and name HB3 )) 3.900 1.900 1.900 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.92836E-03 ppm1 8.926 ppm2 2.217 CV 1 OR { 1305} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 24 and name HB2 )) ASSI { 1308} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HG )) 3.200 1.300 1.300 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 8.926 ppm2 1.676 CV 1 ASSI { 1308} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HG )) 3.200 1.300 1.300 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 8.926 ppm2 1.676 CV 1 ASSI { 1309} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HB2 )) 2.400 0.700 0.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 8.926 ppm2 1.611 CV 1 ASSI { 1309} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HB2 )) 2.400 0.700 0.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 8.926 ppm2 1.611 CV 1 ASSI { 1310} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 25 and name HD2%) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 8.926 ppm2 0.941 CV 1 ASSI { 1310} (( segid "B " and resid 25 and name HN )) ( segid "B " and resid 25 and name HD2%) 4.300 2.300 1.700 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.11427E-02 ppm1 8.926 ppm2 0.941 CV 1 ASSI { 1311} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 25 and name HD1%) 4.600 2.600 1.400 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 8.926 ppm2 0.573 CV 1 ASSI { 1311} (( segid "B " and resid 25 and name HN )) ( segid "B " and resid 25 and name HD1%) 4.600 2.600 1.400 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 8.926 ppm2 0.573 CV 1 ASSI { 1312} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 26 and name HN )) 3.900 1.900 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.81521E-03 ppm1 8.926 ppm2 9.272 CV 1 ASSI { 1312} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 26 and name HN )) 3.900 1.900 1.900 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.81521E-03 ppm1 8.926 ppm2 9.272 CV 1 ASSI { 1313} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HA )) 2.300 0.700 0.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.59534E-02 ppm1 8.926 ppm2 5.225 CV 1 ASSI { 1313} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 24 and name HA )) 2.300 0.700 0.700 peak 1313 spectrum 1 weight 0.10000E+01 volume 0.59534E-02 ppm1 8.926 ppm2 5.225 CV 1 ASSI { 1314} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 8.926 ppm2 5.074 CV 1 ASSI { 1314} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HA )) 2.800 1.000 1.000 peak 1314 spectrum 1 weight 0.10000E+01 volume 0.19761E-02 ppm1 8.926 ppm2 5.074 CV 1 ASSI { 1319} (( segid "A " and resid 11 and name HN )) ( segid "A " and resid 10 and name HG2%) 4.000 2.000 2.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.14642E-02 ppm1 8.417 ppm2 0.486 CV 1 ASSI { 1319} (( segid "B " and resid 11 and name HN )) ( segid "B " and resid 10 and name HG2%) 4.000 2.000 2.000 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.14642E-02 ppm1 8.417 ppm2 0.486 CV 1 ASSI { 1320} (( segid "A " and resid 11 and name HN )) ( segid "A " and resid 11 and name HD% ) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.16290E-02 ppm1 8.417 ppm2 7.368 CV 1 ASSI { 1320} (( segid "B " and resid 11 and name HN )) ( segid "B " and resid 11 and name HD% ) 4.000 2.000 2.000 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.16290E-02 ppm1 8.417 ppm2 7.368 CV 1 ASSI { 1321} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 10 and name HB )) 2.800 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 8.417 ppm2 4.295 CV 1 ASSI { 1321} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 10 and name HB )) 2.800 1.000 1.000 peak 1321 spectrum 1 weight 0.10000E+01 volume 0.22269E-02 ppm1 8.417 ppm2 4.295 CV 1 ASSI { 1323} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 8.417 ppm2 3.581 CV 1 ASSI { 1323} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.28461E-02 ppm1 8.417 ppm2 3.581 CV 1 ASSI { 1324} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HB2 )) 2.300 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.41287E-02 ppm1 8.417 ppm2 3.364 CV 1 ASSI { 1324} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 11 and name HB2 )) 2.300 0.700 0.700 peak 1324 spectrum 1 weight 0.10000E+01 volume 0.41287E-02 ppm1 8.417 ppm2 3.364 CV 1 ASSI { 1326} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 13 and name HN )) 4.000 2.000 2.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.52965E-03 ppm1 8.428 ppm2 7.995 CV 1 ASSI { 1326} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 13 and name HN )) 4.000 2.000 2.000 peak 1326 spectrum 1 weight 0.10000E+01 volume 0.52965E-03 ppm1 8.428 ppm2 7.995 CV 1 ASSI { 1329} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 11 and name HA )) 2.900 1.000 1.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 8.428 ppm2 4.922 CV 1 ASSI { 1329} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 11 and name HA )) 2.900 1.000 1.000 peak 1329 spectrum 1 weight 0.10000E+01 volume 0.23447E-02 ppm1 8.428 ppm2 4.922 CV 1 ASSI { 1330} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 9 and name HA )) 3.800 1.800 1.800 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.69244E-03 ppm1 8.428 ppm2 4.143 CV 1 ASSI { 1330} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 9 and name HA )) 3.800 1.800 1.800 peak 1330 spectrum 1 weight 0.10000E+01 volume 0.69244E-03 ppm1 8.428 ppm2 4.143 CV 1 ASSI { 1331} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 10 and name HA )) 3.400 1.500 1.500 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 8.428 ppm2 3.905 CV 1 ASSI { 1331} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 10 and name HA )) 3.400 1.500 1.500 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.10336E-02 ppm1 8.428 ppm2 3.905 CV 1 ASSI { 1332} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 8 and name HN )) 3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.81066E-03 ppm1 8.428 ppm2 8.580 CV 1 ASSI { 1332} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 8 and name HN )) 3.700 1.700 1.700 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.81066E-03 ppm1 8.428 ppm2 8.580 CV 1 ASSI { 1333} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.25967E-02 ppm1 8.634 ppm2 1.417 CV 1 ASSI { 1333} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.25967E-02 ppm1 8.634 ppm2 1.417 CV 1 ASSI { 1335} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 65 and name HN )) 4.400 2.500 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.66726E-03 ppm1 8.634 ppm2 7.974 CV 1 ASSI { 1335} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 65 and name HN )) 4.400 2.500 1.600 peak 1335 spectrum 1 weight 0.10000E+01 volume 0.66726E-03 ppm1 8.634 ppm2 7.974 CV 1 ASSI { 1336} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HD2 )) 4.800 2.900 1.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.49223E-03 ppm1 8.634 ppm2 7.000 CV 1 ASSI { 1336} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 64 and name HD2 )) 4.800 2.900 1.200 peak 1336 spectrum 1 weight 0.10000E+01 volume 0.49223E-03 ppm1 8.634 ppm2 7.000 CV 1 ASSI { 1337} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 62 and name HD% ) 3.800 1.800 1.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.98233E-03 ppm1 8.634 ppm2 6.740 CV 1 ASSI { 1337} (( segid "B " and resid 64 and name HN )) ( segid "B " and resid 62 and name HD% ) 3.800 1.800 1.800 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.98233E-03 ppm1 8.634 ppm2 6.740 CV 1 ASSI { 1338} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 8.634 ppm2 6.524 CV 1 ASSI { 1338} (( segid "B " and resid 64 and name HN )) ( segid "B " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 8.634 ppm2 6.524 CV 1 ASSI { 1339} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HA )) 3.000 1.100 1.100 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 8.634 ppm2 5.031 CV 1 ASSI { 1339} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 64 and name HA )) 3.000 1.100 1.100 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.17062E-02 ppm1 8.634 ppm2 5.031 CV 1 ASSI { 1340} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB3 )) 2.500 0.800 0.800 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.34694E-02 ppm1 8.634 ppm2 3.299 CV 1 ASSI { 1340} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 64 and name HB3 )) 2.500 0.800 0.800 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.34694E-02 ppm1 8.634 ppm2 3.299 CV 1 ASSI { 1341} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.48002E-02 ppm1 8.634 ppm2 2.975 CV 1 ASSI { 1341} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.48002E-02 ppm1 8.634 ppm2 2.975 CV 1 ASSI { 1343} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HD3 )) 4.500 2.500 1.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.48240E-03 ppm1 8.645 ppm2 1.763 CV 1 ASSI { 1343} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 63 and name HD3 )) 4.500 2.500 1.500 peak 1343 spectrum 1 weight 0.10000E+01 volume 0.48240E-03 ppm1 8.645 ppm2 1.763 CV 1 ASSI { 1345} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HA )) 2.200 0.600 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.97824E-02 ppm1 8.645 ppm2 4.252 CV 1 ASSI { 1345} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 63 and name HA )) 2.200 0.600 0.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.97824E-02 ppm1 8.645 ppm2 4.252 CV 1 ASSI { 1346} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 51 and name HD2%) 5.000 3.100 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.34550E-03 ppm1 8.655 ppm2 0.248 CV 1 ASSI { 1346} (( segid "B " and resid 64 and name HN )) ( segid "B " and resid 51 and name HD2%) 5.000 3.100 1.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.34550E-03 ppm1 8.655 ppm2 0.248 CV 1 ASSI { 1348} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HG3 )) 3.800 1.800 1.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15796E-02 ppm1 7.692 ppm2 1.547 CV 1 ASSI { 1348} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 100 and name HG3 )) 3.800 1.800 1.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.15796E-02 ppm1 7.692 ppm2 1.547 CV 1 ASSI { 1349} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HG2 )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.30930E-02 ppm1 7.692 ppm2 1.395 CV 1 ASSI { 1349} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 100 and name HG2 )) 2.700 0.900 0.900 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.30930E-02 ppm1 7.692 ppm2 1.395 CV 1 ASSI { 1350} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 110 and name HD1%) 3.700 1.800 1.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 7.692 ppm2 0.746 CV 1 ASSI { 1350} (( segid "B " and resid 100 and name HN )) ( segid "B " and resid 110 and name HD1%) 3.700 1.800 1.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.17040E-02 ppm1 7.692 ppm2 0.746 CV 1 ASSI { 1353} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HB3 )) 2.000 0.500 0.500 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.66823E-02 ppm1 7.703 ppm2 2.196 CV 1 ASSI { 1353} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 100 and name HB3 )) 2.000 0.500 0.500 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.66823E-02 ppm1 7.703 ppm2 2.196 CV 1 ASSI { 1354} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HB2 )) 3.200 1.300 1.300 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.51909E-02 ppm1 7.703 ppm2 1.936 CV 1 ASSI { 1354} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 100 and name HB2 )) 3.200 1.300 1.300 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.51909E-02 ppm1 7.703 ppm2 1.936 CV 1 ASSI { 1356} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HN )) 2.500 0.800 0.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.33784E-02 ppm1 7.703 ppm2 8.839 CV 1 ASSI { 1356} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 99 and name HN )) 2.500 0.800 0.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.33784E-02 ppm1 7.703 ppm2 8.839 CV 1 ASSI { 1357} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 101 and name HB )) 4.400 2.400 1.600 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.59583E-03 ppm1 7.703 ppm2 4.230 CV 1 ASSI { 1357} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 101 and name HB )) 4.400 2.400 1.600 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.59583E-03 ppm1 7.703 ppm2 4.230 CV 1 ASSI { 1358} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HA )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 7.703 ppm2 4.078 CV 1 ASSI { 1358} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 100 and name HA )) 2.500 0.800 0.800 peak 1358 spectrum 1 weight 0.10000E+01 volume 0.41263E-02 ppm1 7.703 ppm2 4.078 CV 1 ASSI { 1359} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 97 and name HA )) 3.100 1.200 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.17800E-02 ppm1 7.703 ppm2 3.905 CV 1 ASSI { 1359} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 97 and name HA )) 3.100 1.200 1.200 peak 1359 spectrum 1 weight 0.10000E+01 volume 0.17800E-02 ppm1 7.703 ppm2 3.905 CV 1 ASSI { 1360} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HA2 )) 2.600 0.900 0.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.25775E-02 ppm1 7.703 ppm2 3.537 CV 1 OR { 1360} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HA1 )) ASSI { 1360} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 99 and name HA2 )) 2.600 0.900 0.900 peak 1360 spectrum 1 weight 0.10000E+01 volume 0.25775E-02 ppm1 7.703 ppm2 3.537 CV 1 OR { 1360} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 99 and name HA1 )) ASSI { 1363} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 59 and name HG2%) 3.700 1.700 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 7.974 ppm2 0.681 CV 1 ASSI { 1363} (( segid "B " and resid 62 and name HN )) ( segid "B " and resid 59 and name HG2%) 3.700 1.700 1.700 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 7.974 ppm2 0.681 CV 1 ASSI { 1364} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 62 and name HD% ) 3.500 1.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.17086E-02 ppm1 7.974 ppm2 6.740 CV 1 ASSI { 1364} (( segid "B " and resid 62 and name HN )) ( segid "B " and resid 62 and name HD% ) 3.500 1.500 1.500 peak 1364 spectrum 1 weight 0.10000E+01 volume 0.17086E-02 ppm1 7.974 ppm2 6.740 CV 1 ASSI { 1365} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HA )) 2.100 0.600 0.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.13563E-01 ppm1 7.974 ppm2 4.944 CV 1 ASSI { 1365} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 61 and name HA )) 2.100 0.600 0.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.13563E-01 ppm1 7.974 ppm2 4.944 CV 1 ASSI { 1366} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 61 and name HB3 )) 4.400 2.400 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 7.974 ppm2 3.191 CV 1 ASSI { 1366} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 61 and name HB3 )) 4.400 2.400 1.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.12525E-02 ppm1 7.974 ppm2 3.191 CV 1 ASSI { 1367} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HB3 )) 2.300 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.98736E-02 ppm1 7.974 ppm2 2.737 CV 1 OR { 1367} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 62 and name HB2 )) ASSI { 1367} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 62 and name HB3 )) 2.300 0.700 0.700 peak 1367 spectrum 1 weight 0.10000E+01 volume 0.98736E-02 ppm1 7.974 ppm2 2.737 CV 1 OR { 1367} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 62 and name HB2 )) ASSI { 1369} (( segid "A " and resid 62 and name HN )) ( segid "A " and resid 41 and name HG2%) 3.500 1.600 1.600 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 7.974 ppm2 0.811 CV 1 ASSI { 1369} (( segid "B " and resid 62 and name HN )) ( segid "B " and resid 41 and name HG2%) 3.500 1.600 1.600 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.11178E-02 ppm1 7.974 ppm2 0.811 CV 1 ASSI { 1371} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 25 and name HB3 )) 3.300 1.400 1.400 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 9.067 ppm2 1.806 CV 1 ASSI { 1371} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 25 and name HB3 )) 3.300 1.400 1.400 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 9.067 ppm2 1.806 CV 1 ASSI { 1372} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 30 and name HB% ) 2.300 0.700 0.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.78093E-02 ppm1 9.067 ppm2 1.611 CV 1 ASSI { 1372} (( segid "B " and resid 30 and name HN )) ( segid "B " and resid 30 and name HB% ) 2.300 0.700 0.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.78093E-02 ppm1 9.067 ppm2 1.611 CV 1 ASSI { 1377} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 33 and name HN )) 4.500 2.600 1.500 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.36205E-03 ppm1 9.067 ppm2 7.844 CV 1 ASSI { 1377} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 33 and name HN )) 4.500 2.600 1.500 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.36205E-03 ppm1 9.067 ppm2 7.844 CV 1 ASSI { 1380} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 25 and name HA )) 5.600 3.900 0.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.25655E-03 ppm1 9.067 ppm2 5.052 CV 1 ASSI { 1380} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 25 and name HA )) 5.600 3.900 0.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.25655E-03 ppm1 9.067 ppm2 5.052 CV 1 ASSI { 1381} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HA )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 9.067 ppm2 4.511 CV 1 ASSI { 1381} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HA )) 3.000 1.100 1.100 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.27478E-02 ppm1 9.067 ppm2 4.511 CV 1 ASSI { 1384} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HA )) 2.900 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.22977E-02 ppm1 9.067 ppm2 3.949 CV 1 ASSI { 1384} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 30 and name HA )) 2.900 1.000 1.000 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.22977E-02 ppm1 9.067 ppm2 3.949 CV 1 ASSI { 1386} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HA )) 3.800 1.900 1.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.64760E-03 ppm1 9.067 ppm2 3.754 CV 1 ASSI { 1386} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 28 and name HA )) 3.800 1.900 1.900 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.64760E-03 ppm1 9.067 ppm2 3.754 CV 1 ASSI { 1387} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HB3 )) 3.100 1.200 1.200 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 9.067 ppm2 2.953 CV 1 ASSI { 1387} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HB3 )) 3.100 1.200 1.200 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 9.067 ppm2 2.953 CV 1 ASSI { 1388} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 31 and name HB2 )) 4.900 3.100 1.100 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.46348E-03 ppm1 9.067 ppm2 2.737 CV 1 ASSI { 1388} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 31 and name HB2 )) 4.900 3.100 1.100 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.46348E-03 ppm1 9.067 ppm2 2.737 CV 1 ASSI { 1389} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HB2 )) 3.400 1.400 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.16347E-02 ppm1 9.067 ppm2 2.564 CV 1 ASSI { 1389} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 29 and name HB2 )) 3.400 1.400 1.400 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.16347E-02 ppm1 9.067 ppm2 2.564 CV 1 ASSI { 1390} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HB2 )) 2.800 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.32511E-02 ppm1 8.861 ppm2 2.196 CV 1 OR { 1390} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HB3 )) ASSI { 1390} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HB2 )) 2.800 0.900 0.900 peak 1390 spectrum 1 weight 0.10000E+01 volume 0.32511E-02 ppm1 8.861 ppm2 2.196 CV 1 OR { 1390} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HB3 )) ASSI { 1391} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HB )) 4.000 2.000 2.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 8.861 ppm2 2.044 CV 1 ASSI { 1391} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HB )) 4.000 2.000 2.000 peak 1391 spectrum 1 weight 0.10000E+01 volume 0.10833E-02 ppm1 8.861 ppm2 2.044 CV 1 ASSI { 1395} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 8.861 ppm2 0.832 CV 1 ASSI { 1395} (( segid "B " and resid 24 and name HN )) ( segid "B " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 1395 spectrum 1 weight 0.10000E+01 volume 0.17963E-02 ppm1 8.861 ppm2 0.832 CV 1 ASSI { 1397} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 111 and name HD% ) 4.600 2.600 1.400 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.51647E-03 ppm1 8.861 ppm2 6.978 CV 1 ASSI { 1397} (( segid "B " and resid 24 and name HN )) ( segid "B " and resid 111 and name HD% ) 4.600 2.600 1.400 peak 1397 spectrum 1 weight 0.10000E+01 volume 0.51647E-03 ppm1 8.861 ppm2 6.978 CV 1 ASSI { 1398} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HA )) 3.000 1.100 1.100 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 8.861 ppm2 5.225 CV 1 ASSI { 1398} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HA )) 3.000 1.100 1.100 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.16196E-02 ppm1 8.861 ppm2 5.225 CV 1 ASSI { 1399} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HA )) 2.200 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.80944E-02 ppm1 8.861 ppm2 4.273 CV 1 ASSI { 1399} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 23 and name HA )) 2.200 0.600 0.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.80944E-02 ppm1 8.861 ppm2 4.273 CV 1 ASSI { 1400} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HG3 )) 3.800 1.800 1.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.22382E-02 ppm1 8.861 ppm2 2.910 CV 1 ASSI { 1400} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HG3 )) 3.800 1.800 1.800 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.22382E-02 ppm1 8.861 ppm2 2.910 CV 1 ASSI { 1401} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HG2 )) 2.700 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 8.861 ppm2 2.650 CV 1 ASSI { 1401} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 24 and name HG2 )) 2.700 0.900 0.900 peak 1401 spectrum 1 weight 0.10000E+01 volume 0.23931E-02 ppm1 8.861 ppm2 2.650 CV 1 ASSI { 1402} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 120 and name HZ3 )) 4.500 2.500 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.61595E-03 ppm1 9.067 ppm2 7.043 CV 1 ASSI { 1402} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 120 and name HZ3 )) 4.500 2.500 1.500 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.61595E-03 ppm1 9.067 ppm2 7.043 CV 1 ASSI { 1403} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 116 and name HA2 )) 3.000 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.24288E-02 ppm1 8.904 ppm2 3.429 CV 1 ASSI { 1403} (( segid "B " and resid 117 and name HN )) (( segid "B " and resid 116 and name HA2 )) 3.000 1.200 1.200 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.24288E-02 ppm1 8.904 ppm2 3.429 CV 1 ASSI { 1410} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 116 and name HA1 )) 2.900 1.000 1.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14899E-02 ppm1 8.915 ppm2 3.126 CV 1 ASSI { 1410} (( segid "B " and resid 117 and name HN )) (( segid "B " and resid 116 and name HA1 )) 2.900 1.000 1.000 peak 1410 spectrum 1 weight 0.10000E+01 volume 0.14899E-02 ppm1 8.915 ppm2 3.126 CV 1 ASSI { 1412} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 118 and name HB2 )) 4.400 2.400 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.73777E-03 ppm1 8.926 ppm2 2.910 CV 1 OR { 1412} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 118 and name HB3 )) ASSI { 1412} (( segid "B " and resid 117 and name HN )) (( segid "B " and resid 118 and name HB2 )) 4.400 2.400 1.600 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.73777E-03 ppm1 8.926 ppm2 2.910 CV 1 OR { 1412} (( segid "B " and resid 117 and name HN )) (( segid "B " and resid 118 and name HB3 )) ASSI { 1413} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 110 and name HB )) 2.700 0.900 0.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.32991E-02 ppm1 8.071 ppm2 1.655 CV 1 ASSI { 1413} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 110 and name HB )) 2.700 0.900 0.900 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.32991E-02 ppm1 8.071 ppm2 1.655 CV 1 ASSI { 1414} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 110 and name HG12)) 4.100 2.100 1.900 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 8.071 ppm2 1.309 CV 1 ASSI { 1414} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 110 and name HG12)) 4.100 2.100 1.900 peak 1414 spectrum 1 weight 0.10000E+01 volume 0.14463E-02 ppm1 8.071 ppm2 1.309 CV 1 ASSI { 1415} (( segid "A " and resid 110 and name HN )) ( segid "A " and resid 109 and name HG2%) 3.200 1.300 1.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.31769E-02 ppm1 8.071 ppm2 1.027 CV 1 ASSI { 1415} (( segid "B " and resid 110 and name HN )) ( segid "B " and resid 109 and name HG2%) 3.200 1.300 1.300 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.31769E-02 ppm1 8.071 ppm2 1.027 CV 1 ASSI { 1416} (( segid "A " and resid 110 and name HN )) ( segid "A " and resid 110 and name HG2%) 2.600 0.900 0.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.40664E-02 ppm1 8.071 ppm2 0.768 CV 1 ASSI { 1416} (( segid "B " and resid 110 and name HN )) ( segid "B " and resid 110 and name HG2%) 2.600 0.900 0.900 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.40664E-02 ppm1 8.071 ppm2 0.768 CV 1 ASSI { 1417} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 109 and name HN )) 3.500 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 8.071 ppm2 9.121 CV 1 ASSI { 1417} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 109 and name HN )) 3.500 1.500 1.500 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.12048E-02 ppm1 8.071 ppm2 9.121 CV 1 ASSI { 1418} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 110 and name HA )) 3.100 1.200 1.200 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 8.071 ppm2 4.555 CV 1 ASSI { 1418} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 110 and name HA )) 3.100 1.200 1.200 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.13489E-02 ppm1 8.071 ppm2 4.555 CV 1 ASSI { 1419} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 109 and name HA )) 2.200 0.600 0.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 8.071 ppm2 4.317 CV 1 ASSI { 1419} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 109 and name HA )) 2.200 0.600 0.600 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.10562E-01 ppm1 8.071 ppm2 4.317 CV 1 ASSI { 1420} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 109 and name HB )) 4.000 2.000 2.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.83606E-03 ppm1 8.071 ppm2 3.711 CV 1 ASSI { 1420} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 109 and name HB )) 4.000 2.000 2.000 peak 1420 spectrum 1 weight 0.10000E+01 volume 0.83606E-03 ppm1 8.071 ppm2 3.711 CV 1 ASSI { 1422} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 86 and name HB )) 4.600 2.700 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.24384E-03 ppm1 9.088 ppm2 1.871 CV 1 ASSI { 1422} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 86 and name HB )) 4.600 2.700 1.400 peak 1422 spectrum 1 weight 0.10000E+01 volume 0.24384E-03 ppm1 9.088 ppm2 1.871 CV 1 ASSI { 1425} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 111 and name HD% ) 2.800 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 9.088 ppm2 6.978 CV 1 ASSI { 1425} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 111 and name HD% ) 2.800 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.17558E-02 ppm1 9.088 ppm2 6.978 CV 1 ASSI { 1426} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 9.088 ppm2 5.766 CV 1 ASSI { 1426} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 111 and name HA )) 3.000 1.100 1.100 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.13187E-02 ppm1 9.088 ppm2 5.766 CV 1 ASSI { 1428} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB3 )) 3.500 1.600 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 9.088 ppm2 3.018 CV 1 ASSI { 1428} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 111 and name HB3 )) 3.500 1.600 1.600 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.14036E-02 ppm1 9.088 ppm2 3.018 CV 1 ASSI { 1429} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB2 )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 9.088 ppm2 2.888 CV 1 ASSI { 1429} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 111 and name HB2 )) 3.000 1.100 1.100 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 9.088 ppm2 2.888 CV 1 ASSI { 1431} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 110 and name HN )) 4.800 2.900 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.28388E-03 ppm1 9.099 ppm2 8.060 CV 1 ASSI { 1431} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 110 and name HN )) 4.800 2.900 1.200 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.28388E-03 ppm1 9.099 ppm2 8.060 CV 1 ASSI { 1432} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 25 and name HD1%) 4.700 2.700 1.300 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.69940E-03 ppm1 9.099 ppm2 0.573 CV 1 ASSI { 1432} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 25 and name HD1%) 4.700 2.700 1.300 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.69940E-03 ppm1 9.099 ppm2 0.573 CV 1 ASSI { 1434} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 110 and name HA )) 2.300 0.600 0.600 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.52364E-02 ppm1 9.099 ppm2 4.555 CV 1 ASSI { 1434} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 110 and name HA )) 2.300 0.600 0.600 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.52364E-02 ppm1 9.099 ppm2 4.555 CV 1 ASSI { 1438} (( segid "A " and resid 112 and name HD21)) (( segid "A " and resid 96 and name HA )) 3.500 1.500 1.500 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.80346E-03 ppm1 5.734 ppm2 3.819 CV 1 ASSI { 1438} (( segid "B " and resid 112 and name HD21)) (( segid "B " and resid 96 and name HA )) 3.500 1.500 1.500 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.80346E-03 ppm1 5.734 ppm2 3.819 CV 1 ASSI { 1439} (( segid "A " and resid 112 and name HD21)) (( segid "A " and resid 112 and name HB3 )) 3.000 1.100 1.100 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.81616E-03 ppm1 5.734 ppm2 3.494 CV 1 ASSI { 1439} (( segid "B " and resid 112 and name HD21)) (( segid "B " and resid 112 and name HB3 )) 3.000 1.100 1.100 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.81616E-03 ppm1 5.734 ppm2 3.494 CV 1 ASSI { 1442} (( segid "A " and resid 112 and name HD21)) (( segid "A " and resid 112 and name HD22)) 2.600 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 5.745 ppm2 6.416 CV 1 ASSI { 1442} (( segid "B " and resid 112 and name HD21)) (( segid "B " and resid 112 and name HD22)) 2.600 0.800 0.800 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 5.745 ppm2 6.416 CV 1 ASSI { 1444} (( segid "A " and resid 112 and name HD22)) (( segid "A " and resid 112 and name HB2 )) 4.500 2.600 1.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.49129E-03 ppm1 6.437 ppm2 2.672 CV 1 ASSI { 1444} (( segid "B " and resid 112 and name HD22)) (( segid "B " and resid 112 and name HB2 )) 4.500 2.600 1.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.49129E-03 ppm1 6.437 ppm2 2.672 CV 1 ASSI { 1447} (( segid "A " and resid 112 and name HD21)) (( segid "A " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 5.734 ppm2 2.672 CV 1 ASSI { 1447} (( segid "B " and resid 112 and name HD21)) (( segid "B " and resid 112 and name HB2 )) 3.300 1.400 1.400 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.65361E-03 ppm1 5.734 ppm2 2.672 CV 1 ASSI { 1450} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HG12)) 4.200 2.200 1.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 9.164 ppm2 0.616 CV 1 ASSI { 1450} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 43 and name HG12)) 4.200 2.200 1.800 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.81569E-03 ppm1 9.164 ppm2 0.616 CV 1 ASSI { 1451} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 42 and name HD2%) 4.200 2.200 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.13336E-02 ppm1 9.164 ppm2 0.378 CV 1 ASSI { 1451} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 42 and name HD2%) 4.200 2.200 1.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.13336E-02 ppm1 9.164 ppm2 0.378 CV 1 ASSI { 1452} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HA )) 2.400 0.700 0.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 9.164 ppm2 5.052 CV 1 ASSI { 1452} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 42 and name HA )) 2.400 0.700 0.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.41024E-02 ppm1 9.164 ppm2 5.052 CV 1 ASSI { 1453} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HB3 )) 4.300 2.400 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.55362E-03 ppm1 9.175 ppm2 1.676 CV 1 ASSI { 1453} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 42 and name HB3 )) 4.300 2.400 1.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.55362E-03 ppm1 9.175 ppm2 1.676 CV 1 ASSI { 1454} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HB )) 2.600 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 9.175 ppm2 1.568 CV 1 ASSI { 1454} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 43 and name HB )) 2.600 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.21380E-02 ppm1 9.175 ppm2 1.568 CV 1 ASSI { 1455} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 42 and name HG )) 2.700 0.900 0.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 9.175 ppm2 1.287 CV 1 ASSI { 1455} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 42 and name HG )) 2.700 0.900 0.900 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.22130E-02 ppm1 9.175 ppm2 1.287 CV 1 ASSI { 1457} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 43 and name HD1%) 3.300 1.300 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 9.175 ppm2 0.465 CV 1 ASSI { 1457} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 43 and name HD1%) 3.300 1.300 1.300 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.16311E-02 ppm1 9.175 ppm2 0.465 CV 1 ASSI { 1458} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 42 and name HD1%) 3.900 1.900 1.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.47593E-03 ppm1 9.175 ppm2 0.248 CV 1 ASSI { 1458} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 42 and name HD1%) 3.900 1.900 1.900 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.47593E-03 ppm1 9.175 ppm2 0.248 CV 1 ASSI { 1460} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HA )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.96169E-03 ppm1 9.175 ppm2 4.381 CV 1 ASSI { 1460} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 43 and name HA )) 3.100 1.200 1.200 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.96169E-03 ppm1 9.175 ppm2 4.381 CV 1 ASSI { 1461} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 86 and name HN )) 4.300 2.300 1.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.50496E-03 ppm1 9.175 ppm2 8.753 CV 1 ASSI { 1461} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 86 and name HN )) 4.300 2.300 1.700 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.50496E-03 ppm1 9.175 ppm2 8.753 CV 1 ASSI { 1463} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.16527E-02 ppm1 8.417 ppm2 2.304 CV 1 ASSI { 1463} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 44 and name HB2 )) 3.100 1.200 1.200 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.16527E-02 ppm1 8.417 ppm2 2.304 CV 1 ASSI { 1466} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HA )) 2.300 0.600 0.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.53469E-02 ppm1 8.417 ppm2 4.381 CV 1 ASSI { 1466} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 43 and name HA )) 2.300 0.600 0.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.53469E-02 ppm1 8.417 ppm2 4.381 CV 1 ASSI { 1467} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HB3 )) 2.600 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 8.417 ppm2 2.932 CV 1 ASSI { 1467} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 44 and name HB3 )) 2.600 0.900 0.900 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.20397E-02 ppm1 8.417 ppm2 2.932 CV 1 ASSI { 1468} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 43 and name HD1%) 4.100 2.100 1.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 8.428 ppm2 0.465 CV 1 ASSI { 1468} (( segid "B " and resid 44 and name HN )) ( segid "B " and resid 43 and name HD1%) 4.100 2.100 1.900 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.23847E-02 ppm1 8.428 ppm2 0.465 CV 1 ASSI { 1469} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 42 and name HD2%) 3.600 1.600 1.600 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 8.428 ppm2 0.356 CV 1 ASSI { 1469} (( segid "B " and resid 44 and name HN )) ( segid "B " and resid 42 and name HD2%) 3.600 1.600 1.600 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.14810E-02 ppm1 8.428 ppm2 0.356 CV 1 ASSI { 1470} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.69174E-03 ppm1 8.428 ppm2 6.524 CV 1 ASSI { 1470} (( segid "B " and resid 44 and name HN )) ( segid "B " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.69174E-03 ppm1 8.428 ppm2 6.524 CV 1 ASSI { 1471} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HA )) 3.000 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 8.428 ppm2 5.117 CV 1 ASSI { 1471} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 44 and name HA )) 3.000 1.100 1.100 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.15532E-02 ppm1 8.428 ppm2 5.117 CV 1 ASSI { 1472} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 42 and name HB3 )) 3.700 1.700 1.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.80776E-03 ppm1 8.471 ppm2 1.676 CV 1 ASSI { 1472} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 42 and name HB3 )) 3.700 1.700 1.700 peak 1472 spectrum 1 weight 0.10000E+01 volume 0.80776E-03 ppm1 8.471 ppm2 1.676 CV 1 ASSI { 1473} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 42 and name HD2%) 3.900 1.900 1.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 8.471 ppm2 0.378 CV 1 ASSI { 1473} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 42 and name HD2%) 3.900 1.900 1.900 peak 1473 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 8.471 ppm2 0.378 CV 1 ASSI { 1474} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HN )) 4.200 2.200 1.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.67733E-03 ppm1 8.471 ppm2 7.952 CV 1 ASSI { 1474} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 62 and name HN )) 4.200 2.200 1.800 peak 1474 spectrum 1 weight 0.10000E+01 volume 0.67733E-03 ppm1 8.471 ppm2 7.952 CV 1 ASSI { 1475} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 8.482 ppm2 1.417 CV 1 ASSI { 1475} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 63 and name HB3 )) 3.300 1.400 1.400 peak 1475 spectrum 1 weight 0.10000E+01 volume 0.25991E-02 ppm1 8.482 ppm2 1.417 CV 1 ASSI { 1478} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 41 and name HG2%) 3.300 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.32704E-02 ppm1 8.482 ppm2 0.811 CV 1 ASSI { 1478} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 41 and name HG2%) 3.300 1.400 1.400 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.32704E-02 ppm1 8.482 ppm2 0.811 CV 1 ASSI { 1479} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 59 and name HG2%) 4.300 2.300 1.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 8.482 ppm2 0.681 CV 1 ASSI { 1479} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 59 and name HG2%) 4.300 2.300 1.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.12856E-02 ppm1 8.482 ppm2 0.681 CV 1 ASSI { 1480} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 43 and name HD1%) 4.800 2.800 1.200 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.72074E-03 ppm1 8.482 ppm2 0.465 CV 1 ASSI { 1480} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 43 and name HD1%) 4.800 2.800 1.200 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.72074E-03 ppm1 8.482 ppm2 0.465 CV 1 ASSI { 1481} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 62 and name HD% ) 3.100 1.200 1.200 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 8.482 ppm2 6.740 CV 1 ASSI { 1481} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 62 and name HD% ) 3.100 1.200 1.200 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.14288E-02 ppm1 8.482 ppm2 6.740 CV 1 ASSI { 1483} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HA )) 2.100 0.600 0.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.89457E-02 ppm1 8.482 ppm2 4.858 CV 1 ASSI { 1483} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 62 and name HA )) 2.100 0.600 0.600 peak 1483 spectrum 1 weight 0.10000E+01 volume 0.89457E-02 ppm1 8.482 ppm2 4.858 CV 1 ASSI { 1484} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HA )) 2.700 0.900 0.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.34526E-02 ppm1 8.482 ppm2 4.252 CV 1 ASSI { 1484} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 63 and name HA )) 2.700 0.900 0.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.34526E-02 ppm1 8.482 ppm2 4.252 CV 1 ASSI { 1485} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 64 and name HN )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 8.482 ppm2 8.623 CV 1 ASSI { 1485} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 64 and name HN )) 3.700 1.700 1.700 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 8.482 ppm2 8.623 CV 1 ASSI { 1486} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 8.482 ppm2 2.737 CV 1 OR { 1486} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB3 )) ASSI { 1486} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.20850E-02 ppm1 8.482 ppm2 2.737 CV 1 OR { 1486} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 62 and name HB3 )) ASSI { 1490} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HA )) 2.900 1.000 1.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.17491E-02 ppm1 8.482 ppm2 5.052 CV 1 ASSI { 1490} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 42 and name HA )) 2.900 1.000 1.000 peak 1490 spectrum 1 weight 0.10000E+01 volume 0.17491E-02 ppm1 8.482 ppm2 5.052 CV 1 ASSI { 1493} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HB3 )) 2.500 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.23675E-02 ppm1 8.493 ppm2 1.676 CV 1 ASSI { 1493} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 42 and name HB3 )) 2.500 0.800 0.800 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.23675E-02 ppm1 8.493 ppm2 1.676 CV 1 ASSI { 1495} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 41 and name HG2%) 2.400 0.700 0.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.62315E-02 ppm1 8.493 ppm2 0.811 CV 1 ASSI { 1495} (( segid "B " and resid 42 and name HN )) ( segid "B " and resid 41 and name HG2%) 2.400 0.700 0.700 peak 1495 spectrum 1 weight 0.10000E+01 volume 0.62315E-02 ppm1 8.493 ppm2 0.811 CV 1 ASSI { 1498} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 43 and name HN )) 4.400 2.400 1.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.48842E-03 ppm1 8.493 ppm2 9.164 CV 1 ASSI { 1498} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 43 and name HN )) 4.400 2.400 1.600 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.48842E-03 ppm1 8.493 ppm2 9.164 CV 1 ASSI { 1499} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HN )) 4.500 2.500 1.500 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.37932E-03 ppm1 8.493 ppm2 7.130 CV 1 ASSI { 1499} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 41 and name HN )) 4.500 2.500 1.500 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.37932E-03 ppm1 8.493 ppm2 7.130 CV 1 ASSI { 1500} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HA )) 2.200 0.600 0.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.71857E-02 ppm1 8.493 ppm2 4.230 CV 1 ASSI { 1500} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 41 and name HA )) 2.200 0.600 0.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.71857E-02 ppm1 8.493 ppm2 4.230 CV 1 ASSI { 1501} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HB )) 3.900 1.900 1.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.43134E-03 ppm1 8.493 ppm2 3.624 CV 1 ASSI { 1501} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 41 and name HB )) 3.900 1.900 1.900 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.43134E-03 ppm1 8.493 ppm2 3.624 CV 1 ASSI { 1506} (( segid "A " and resid 120 and name HE1 )) ( segid "A " and resid 121 and name HD2%) 4.100 2.100 1.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.69461E-03 ppm1 9.824 ppm2 0.984 CV 1 ASSI { 1506} (( segid "B " and resid 120 and name HE1 )) ( segid "B " and resid 121 and name HD2%) 4.100 2.100 1.900 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.69461E-03 ppm1 9.824 ppm2 0.984 CV 1 ASSI { 1507} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 57 and name HB3 )) 4.000 2.000 2.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.45365E-03 ppm1 9.824 ppm2 0.789 CV 1 ASSI { 1507} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 57 and name HB3 )) 4.000 2.000 2.000 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.45365E-03 ppm1 9.824 ppm2 0.789 CV 1 ASSI { 1508} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 57 and name HB2 )) 4.700 2.800 1.300 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.65288E-03 ppm1 9.824 ppm2 0.248 CV 1 ASSI { 1508} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 57 and name HB2 )) 4.700 2.800 1.300 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.65288E-03 ppm1 9.824 ppm2 0.248 CV 1 ASSI { 1510} (( segid "A " and resid 120 and name HE1 )) ( segid "A " and resid 125 and name HD1%) 3.000 1.100 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23497E-02 ppm1 9.824 ppm2 -0.185 CV 1 ASSI { 1510} (( segid "B " and resid 120 and name HE1 )) ( segid "B " and resid 125 and name HD1%) 3.000 1.100 1.100 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.23497E-02 ppm1 9.824 ppm2 -0.185 CV 1 ASSI { 1511} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 120 and name HZ2 )) 2.800 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 9.824 ppm2 7.043 CV 1 ASSI { 1511} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 120 and name HZ2 )) 2.800 1.000 1.000 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.25127E-02 ppm1 9.824 ppm2 7.043 CV 1 ASSI { 1513} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 120 and name HD1 )) 2.400 0.700 0.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 9.824 ppm2 6.589 CV 1 ASSI { 1513} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 120 and name HD1 )) 2.400 0.700 0.700 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.50710E-02 ppm1 9.824 ppm2 6.589 CV 1 ASSI { 1515} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 57 and name HA )) 2.400 0.800 0.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.21425E-02 ppm1 9.824 ppm2 4.014 CV 1 ASSI { 1515} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 57 and name HA )) 2.400 0.800 0.800 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.21425E-02 ppm1 9.824 ppm2 4.014 CV 1 ASSI { 1516} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 125 and name HA )) 4.400 2.400 1.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.56442E-03 ppm1 9.824 ppm2 3.862 CV 1 ASSI { 1516} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 125 and name HA )) 4.400 2.400 1.600 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.56442E-03 ppm1 9.824 ppm2 3.862 CV 1 ASSI { 1519} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HB3 )) 4.200 2.200 1.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 7.974 ppm2 3.299 CV 1 ASSI { 1519} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 64 and name HB3 )) 4.200 2.200 1.800 peak 1519 spectrum 1 weight 0.10000E+01 volume 0.10427E-02 ppm1 7.974 ppm2 3.299 CV 1 ASSI { 1520} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB3 )) 3.900 1.900 1.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 7.985 ppm2 1.503 CV 1 ASSI { 1520} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 65 and name HB3 )) 3.900 1.900 1.900 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.11624E-02 ppm1 7.985 ppm2 1.503 CV 1 ASSI { 1522} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 43 and name HD1%) 4.600 2.700 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.79146E-03 ppm1 7.985 ppm2 0.465 CV 1 ASSI { 1522} (( segid "B " and resid 65 and name HN )) ( segid "B " and resid 43 and name HD1%) 4.600 2.700 1.400 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.79146E-03 ppm1 7.985 ppm2 0.465 CV 1 ASSI { 1524} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.24720E-02 ppm1 7.985 ppm2 7.000 CV 1 ASSI { 1524} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.24720E-02 ppm1 7.985 ppm2 7.000 CV 1 ASSI { 1525} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HA )) 2.300 0.700 0.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.59846E-02 ppm1 7.985 ppm2 5.031 CV 1 ASSI { 1525} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 64 and name HA )) 2.300 0.700 0.700 peak 1525 spectrum 1 weight 0.10000E+01 volume 0.59846E-02 ppm1 7.985 ppm2 5.031 CV 1 ASSI { 1530} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HA )) 2.900 1.100 1.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.19953E-02 ppm1 7.985 ppm2 3.776 CV 1 ASSI { 1530} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 65 and name HA )) 2.900 1.100 1.100 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.19953E-02 ppm1 7.985 ppm2 3.776 CV 1 ASSI { 1531} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HG2 )) 4.300 2.300 1.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.55697E-03 ppm1 7.995 ppm2 1.850 CV 1 ASSI { 1531} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 65 and name HG2 )) 4.300 2.300 1.700 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.55697E-03 ppm1 7.995 ppm2 1.850 CV 1 ASSI { 1532} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 65 and name HB2 )) 3.100 1.200 1.200 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.91182E-03 ppm1 7.995 ppm2 1.309 CV 1 ASSI { 1532} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 65 and name HB2 )) 3.100 1.200 1.200 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.91182E-03 ppm1 7.995 ppm2 1.309 CV 1 ASSI { 717} (( segid "B " and resid 67 and name HN )) ( segid "B " and resid 45 and name HG2%) 4.400 2.400 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.61906E-03 ppm1 8.331 ppm2 0.681 CV 1 ASSI { 875} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 97 and name HB3 )) 4.400 2.400 1.600 peak 875 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 7.584 ppm2 1.936 CV 1 ASSI { 901} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 73 and name HB3 )) 4.500 2.500 1.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.47642E-03 ppm1 8.287 ppm2 1.806 CV 1 ASSI { 1124} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 13 and name HA )) 4.400 2.400 1.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.43686E-03 ppm1 8.417 ppm2 4.122 CV 1 ASSI { 1534} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 25 and name HN )) 3.200 1.300 1.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.23953E-02 ppm1 1.810 ppm2 8.909 CV 1 ASSI { 1534} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 25 and name HN )) 3.200 1.300 1.300 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.23953E-02 ppm1 1.810 ppm2 8.909 CV 1 ASSI { 1535} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HA )) 2.600 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.38195E-02 ppm1 1.810 ppm2 5.236 CV 1 ASSI { 1535} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HA )) 2.600 0.800 0.800 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.38195E-02 ppm1 1.810 ppm2 5.236 CV 1 ASSI { 1536} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 40 and name HA )) 3.900 1.900 1.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 0.779 ppm2 4.299 CV 1 ASSI { 1536} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 40 and name HA )) 3.900 1.900 1.900 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.14994E-02 ppm1 0.779 ppm2 4.299 CV 1 ASSI { 1540} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HG3 )) 2.400 0.700 0.700 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 1.810 ppm2 2.892 CV 1 ASSI { 1540} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HG3 )) 2.400 0.700 0.700 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.36191E-02 ppm1 1.810 ppm2 2.892 CV 1 ASSI { 1542} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 40 and name HB )) 2.500 0.800 0.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.46023E-02 ppm1 0.779 ppm2 1.837 CV 1 ASSI { 1542} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 40 and name HB )) 2.500 0.800 0.800 peak 1542 spectrum 1 weight 0.10000E+01 volume 0.46023E-02 ppm1 0.779 ppm2 1.837 CV 1 ASSI { 1543} ( segid "A " and resid 40 and name HD1%) ( segid "A " and resid 109 and name HG2%) 3.600 1.600 1.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 0.779 ppm2 1.016 CV 1 ASSI { 1543} ( segid "B " and resid 40 and name HD1%) ( segid "B " and resid 109 and name HG2%) 3.600 1.600 1.600 peak 1543 spectrum 1 weight 0.10000E+01 volume 0.22997E-02 ppm1 0.779 ppm2 1.016 CV 1 ASSI { 1546} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 37 and name HB3 )) 3.300 1.400 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.26098E-02 ppm1 0.779 ppm2 2.892 CV 1 ASSI { 1546} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 37 and name HB3 )) 3.300 1.400 1.400 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.26098E-02 ppm1 0.779 ppm2 2.892 CV 1 ASSI { 1548} ( segid "A " and resid 40 and name HD1%) ( segid "A " and resid 111 and name HD% ) 4.100 2.100 1.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.67988E-03 ppm1 0.767 ppm2 6.995 CV 1 ASSI { 1548} ( segid "B " and resid 40 and name HD1%) ( segid "B " and resid 111 and name HD% ) 4.100 2.100 1.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.67988E-03 ppm1 0.767 ppm2 6.995 CV 1 ASSI { 1549} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.22681E-02 ppm1 0.779 ppm2 2.618 CV 1 ASSI { 1549} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 37 and name HB2 )) 2.800 1.000 1.000 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.22681E-02 ppm1 0.779 ppm2 2.618 CV 1 ASSI { 1552} ( segid "A " and resid 40 and name HD1%) ( segid "A " and resid 111 and name HE% ) 3.200 1.300 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.15393E-02 ppm1 0.779 ppm2 6.721 CV 1 ASSI { 1552} ( segid "B " and resid 40 and name HD1%) ( segid "B " and resid 111 and name HE% ) 3.200 1.300 1.300 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.15393E-02 ppm1 0.779 ppm2 6.721 CV 1 ASSI { 1554} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HB )) 2.300 0.700 0.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 0.449 ppm2 1.563 CV 1 ASSI { 1554} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 43 and name HB )) 2.300 0.700 0.700 peak 1554 spectrum 1 weight 0.10000E+01 volume 0.42595E-02 ppm1 0.449 ppm2 1.563 CV 1 ASSI { 1555} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 85 and name HB )) 2.600 0.900 0.900 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 0.449 ppm2 1.954 CV 1 ASSI { 1555} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 85 and name HB )) 2.600 0.900 0.900 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 0.449 ppm2 1.954 CV 1 ASSI { 1557} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 102 and name HD1%) 2.400 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.55213E-02 ppm1 0.449 ppm2 0.157 CV 1 ASSI { 1557} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 102 and name HD1%) 2.400 0.700 0.700 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.55213E-02 ppm1 0.449 ppm2 0.157 CV 1 ASSI { 1559} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 85 and name HG1%) 2.800 1.000 1.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.78618E-02 ppm1 0.449 ppm2 1.055 CV 1 ASSI { 1559} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 85 and name HG1%) 2.800 1.000 1.000 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.78618E-02 ppm1 0.449 ppm2 1.055 CV 1 ASSI { 1560} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HG13)) 2.100 0.600 0.600 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.64803E-02 ppm1 0.449 ppm2 1.290 CV 1 ASSI { 1560} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 43 and name HG13)) 2.100 0.600 0.600 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.64803E-02 ppm1 0.449 ppm2 1.290 CV 1 ASSI { 1568} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HA )) 3.800 1.800 1.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 0.449 ppm2 4.377 CV 1 ASSI { 1568} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 43 and name HA )) 3.800 1.800 1.800 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 0.449 ppm2 4.377 CV 1 ASSI { 1569} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 107 and name HB2 )) 3.500 1.500 1.500 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 0.741 ppm2 2.657 CV 1 ASSI { 1569} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 107 and name HB2 )) 3.500 1.500 1.500 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 0.741 ppm2 2.657 CV 1 ASSI { 1571} ( segid "A " and resid 110 and name HD1%) ( segid "A " and resid 102 and name HD2%) 4.100 2.100 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 0.741 ppm2 -0.078 CV 1 ASSI { 1571} ( segid "B " and resid 110 and name HD1%) ( segid "B " and resid 102 and name HD2%) 4.100 2.100 1.900 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 0.741 ppm2 -0.078 CV 1 ASSI { 1572} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 107 and name HB3 )) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 0.754 ppm2 2.931 CV 1 ASSI { 1572} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 107 and name HB3 )) 3.200 1.300 1.300 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 0.754 ppm2 2.931 CV 1 ASSI { 1576} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 102 and name HN )) 4.100 2.100 1.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.94791E-03 ppm1 0.754 ppm2 8.714 CV 1 ASSI { 1576} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 102 and name HN )) 4.100 2.100 1.900 peak 1576 spectrum 1 weight 0.10000E+01 volume 0.94791E-03 ppm1 0.754 ppm2 8.714 CV 1 ASSI { 1577} ( segid "A " and resid 110 and name HD1%) ( segid "A " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 0.741 ppm2 7.581 CV 1 ASSI { 1577} ( segid "B " and resid 110 and name HD1%) ( segid "B " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 1577 spectrum 1 weight 0.10000E+01 volume 0.13388E-02 ppm1 0.741 ppm2 7.581 CV 1 ASSI { 1580} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 110 and name HB )) 2.300 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.49800E-02 ppm1 0.741 ppm2 1.681 CV 1 ASSI { 1580} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 110 and name HB )) 2.300 0.600 0.600 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.49800E-02 ppm1 0.741 ppm2 1.681 CV 1 ASSI { 1582} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 110 and name HG12)) 2.200 0.600 0.600 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.62158E-02 ppm1 0.754 ppm2 1.329 CV 1 ASSI { 1582} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 110 and name HG12)) 2.200 0.600 0.600 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.62158E-02 ppm1 0.754 ppm2 1.329 CV 1 ASSI { 1583} ( segid "A " and resid 110 and name HD1%) ( segid "A " and resid 102 and name HD1%) 2.600 0.800 0.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 0.741 ppm2 0.157 CV 1 ASSI { 1583} ( segid "B " and resid 110 and name HD1%) ( segid "B " and resid 102 and name HD1%) 2.600 0.800 0.800 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 0.741 ppm2 0.157 CV 1 ASSI { 1585} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 110 and name HA )) 2.800 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.47033E-02 ppm1 0.741 ppm2 4.572 CV 1 ASSI { 1585} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 110 and name HA )) 2.800 1.000 1.000 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.47033E-02 ppm1 0.741 ppm2 4.572 CV 1 ASSI { 1595} ( segid "A " and resid 40 and name HG2%) (( segid "A " and resid 40 and name HB )) 2.200 0.600 0.600 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.61695E-02 ppm1 0.652 ppm2 1.837 CV 1 ASSI { 1595} ( segid "B " and resid 40 and name HG2%) (( segid "B " and resid 40 and name HB )) 2.200 0.600 0.600 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.61695E-02 ppm1 0.652 ppm2 1.837 CV 1 ASSI { 1596} ( segid "A " and resid 40 and name HG2%) ( segid "A " and resid 85 and name HG1%) 3.600 1.600 1.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.17659E-02 ppm1 0.652 ppm2 1.055 CV 1 ASSI { 1596} ( segid "B " and resid 40 and name HG2%) ( segid "B " and resid 85 and name HG1%) 3.600 1.600 1.600 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.17659E-02 ppm1 0.652 ppm2 1.055 CV 1 ASSI { 1598} ( segid "A " and resid 40 and name HG2%) ( segid "A " and resid 33 and name HD2%) 4.000 2.000 2.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.18912E-02 ppm1 0.652 ppm2 0.079 CV 1 ASSI { 1598} ( segid "B " and resid 40 and name HG2%) ( segid "B " and resid 33 and name HD2%) 4.000 2.000 2.000 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.18912E-02 ppm1 0.652 ppm2 0.079 CV 1 ASSI { 1601} ( segid "A " and resid 40 and name HG2%) (( segid "A " and resid 85 and name HA )) 2.800 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 0.652 ppm2 5.275 CV 1 ASSI { 1601} ( segid "B " and resid 40 and name HG2%) (( segid "B " and resid 85 and name HA )) 2.800 0.900 0.900 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.15820E-02 ppm1 0.652 ppm2 5.275 CV 1 ASSI { 1603} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 30 and name HA )) 2.400 0.700 0.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.50702E-02 ppm1 1.606 ppm2 3.947 CV 1 ASSI { 1603} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 30 and name HA )) 2.400 0.700 0.700 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.50702E-02 ppm1 1.606 ppm2 3.947 CV 1 ASSI { 1605} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 27 and name HA )) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.25532E-02 ppm1 1.606 ppm2 4.572 CV 1 ASSI { 1605} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 27 and name HA )) 2.700 0.900 0.900 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.25532E-02 ppm1 1.606 ppm2 4.572 CV 1 ASSI { 1614} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 33 and name HD1%) 2.400 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.17965E-01 ppm1 1.631 ppm2 0.547 CV 1 ASSI { 1614} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 33 and name HD1%) 2.400 0.700 0.700 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.17965E-01 ppm1 1.631 ppm2 0.547 CV 1 ASSI { 1615} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 86 and name HG1%) 2.000 0.500 0.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.14391E-01 ppm1 1.631 ppm2 0.743 CV 1 ASSI { 1615} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 86 and name HG1%) 2.000 0.500 0.500 peak 1615 spectrum 1 weight 0.10000E+01 volume 0.14391E-01 ppm1 1.631 ppm2 0.743 CV 1 ASSI { 1617} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 65 and name HA )) 4.700 2.800 1.300 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.70820E-03 ppm1 0.474 ppm2 3.791 CV 1 ASSI { 1617} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 65 and name HA )) 4.700 2.800 1.300 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.70820E-03 ppm1 0.474 ppm2 3.791 CV 1 ASSI { 1619} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 65 and name HG2 )) 3.700 1.800 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 0.474 ppm2 1.837 CV 1 ASSI { 1619} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 65 and name HG2 )) 3.700 1.800 1.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.18420E-02 ppm1 0.474 ppm2 1.837 CV 1 ASSI { 1620} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 43 and name HG13)) 2.800 1.000 1.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.46142E-02 ppm1 0.474 ppm2 1.290 CV 1 ASSI { 1620} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 43 and name HG13)) 2.800 1.000 1.000 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.46142E-02 ppm1 0.474 ppm2 1.290 CV 1 ASSI { 1622} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 43 and name HN )) 3.800 1.800 1.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 0.474 ppm2 9.144 CV 1 ASSI { 1622} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 43 and name HN )) 3.800 1.800 1.800 peak 1622 spectrum 1 weight 0.10000E+01 volume 0.11605E-02 ppm1 0.474 ppm2 9.144 CV 1 ASSI { 1626} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 87 and name HA )) 3.800 1.800 1.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.74906E-03 ppm1 0.474 ppm2 4.924 CV 1 ASSI { 1626} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 87 and name HA )) 3.800 1.800 1.800 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.74906E-03 ppm1 0.474 ppm2 4.924 CV 1 ASSI { 1631} ( segid "A " and resid 13 and name HB% ) ( segid "A " and resid 10 and name HG2%) 3.100 1.200 1.200 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 1.517 ppm2 0.508 CV 1 ASSI { 1631} ( segid "B " and resid 13 and name HB% ) ( segid "B " and resid 10 and name HG2%) 3.100 1.200 1.200 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.25987E-02 ppm1 1.517 ppm2 0.508 CV 1 ASSI { 1640} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 45 and name HB )) 3.100 1.200 1.200 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 0.678 ppm2 2.306 CV 1 ASSI { 1640} ( segid "B " and resid 45 and name HG2%) (( segid "B " and resid 45 and name HB )) 3.100 1.200 1.200 peak 1640 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 0.678 ppm2 2.306 CV 1 ASSI { 1644} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 87 and name HB )) 2.100 0.600 0.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.49448E-02 ppm1 1.123 ppm2 1.837 CV 1 ASSI { 1644} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 87 and name HB )) 2.100 0.600 0.600 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.49448E-02 ppm1 1.123 ppm2 1.837 CV 1 ASSI { 1649} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 95 and name HA )) 2.300 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.50217E-02 ppm1 1.123 ppm2 3.712 CV 1 ASSI { 1649} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 95 and name HA )) 2.300 0.700 0.700 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.50217E-02 ppm1 1.123 ppm2 3.712 CV 1 ASSI { 1652} ( segid "A " and resid 95 and name HB% ) ( segid "A " and resid 87 and name HG1%) 3.300 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.65074E-02 ppm1 1.123 ppm2 0.821 CV 1 ASSI { 1652} ( segid "B " and resid 95 and name HB% ) ( segid "B " and resid 87 and name HG1%) 3.300 1.300 1.300 peak 1652 spectrum 1 weight 0.10000E+01 volume 0.65074E-02 ppm1 1.123 ppm2 0.821 CV 1 ASSI { 1654} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 10 and name HA )) 2.400 0.700 0.700 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.75136E-02 ppm1 1.517 ppm2 3.908 CV 1 ASSI { 1654} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 10 and name HA )) 2.400 0.700 0.700 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.75136E-02 ppm1 1.517 ppm2 3.908 CV 1 ASSI { 1655} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 13 and name HA )) 2.000 0.500 0.500 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.25309E-01 ppm1 1.517 ppm2 4.142 CV 1 ASSI { 1655} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 13 and name HA )) 2.000 0.500 0.500 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.25309E-01 ppm1 1.517 ppm2 4.142 CV 1 ASSI { 1656} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 88 and name HA )) 3.000 1.100 1.100 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.16043E-02 ppm1 1.123 ppm2 5.471 CV 1 ASSI { 1656} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 88 and name HA )) 3.000 1.100 1.100 peak 1656 spectrum 1 weight 0.10000E+01 volume 0.16043E-02 ppm1 1.123 ppm2 5.471 CV 1 ASSI { 1664} ( segid "A " and resid 95 and name HB% ) ( segid "A " and resid 96 and name HB% ) 3.100 1.200 1.200 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.45817E-02 ppm1 1.148 ppm2 1.446 CV 1 ASSI { 1664} ( segid "B " and resid 95 and name HB% ) ( segid "B " and resid 96 and name HB% ) 3.100 1.200 1.200 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.45817E-02 ppm1 1.148 ppm2 1.446 CV 1 ASSI { 1665} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 95 and name HB% ) 2.700 0.900 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 0.678 ppm2 1.134 CV 1 ASSI { 1665} ( segid "B " and resid 45 and name HG2%) ( segid "B " and resid 95 and name HB% ) 2.700 0.900 0.900 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.23926E-02 ppm1 0.678 ppm2 1.134 CV 1 ASSI { 1666} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 95 and name HA )) 2.700 0.900 0.900 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.26339E-02 ppm1 0.678 ppm2 3.712 CV 1 ASSI { 1666} ( segid "B " and resid 45 and name HG2%) (( segid "B " and resid 95 and name HA )) 2.700 0.900 0.900 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.26339E-02 ppm1 0.678 ppm2 3.712 CV 1 ASSI { 1671} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 20 and name HA )) 1.900 0.500 0.500 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.26748E-01 ppm1 1.466 ppm2 4.181 CV 1 ASSI { 1671} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 20 and name HA )) 1.900 0.500 0.500 peak 1671 spectrum 1 weight 0.10000E+01 volume 0.26748E-01 ppm1 1.466 ppm2 4.181 CV 1 ASSI { 1682} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 98 and name HA )) 2.300 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.51389E-02 ppm1 1.326 ppm2 4.455 CV 1 ASSI { 1682} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 98 and name HA )) 2.300 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.51389E-02 ppm1 1.326 ppm2 4.455 CV 1 ASSI { 1684} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 75 and name HA )) 2.300 0.600 0.600 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.644 ppm2 4.533 CV 1 ASSI { 1684} ( segid "B " and resid 75 and name HB% ) (( segid "B " and resid 75 and name HA )) 2.300 0.600 0.600 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 1.644 ppm2 4.533 CV 1 ASSI { 1687} ( segid "A " and resid 75 and name HB% ) ( segid "B " and resid 7 and name HD% ) 3.900 1.900 1.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 1.644 ppm2 7.464 CV 1 ASSI { 1687} ( segid "B " and resid 75 and name HB% ) ( segid "A " and resid 7 and name HD% ) 3.900 1.900 1.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.20314E-02 ppm1 1.644 ppm2 7.464 CV 1 ASSI { 1690} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 95 and name HA )) 2.600 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.34231E-02 ppm1 1.313 ppm2 3.712 CV 1 ASSI { 1690} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 95 and name HA )) 2.600 0.900 0.900 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.34231E-02 ppm1 1.313 ppm2 3.712 CV 1 ASSI { 1692} ( segid "A " and resid 98 and name HB% ) ( segid "A " and resid 70 and name HD2%) 2.300 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.69788E-02 ppm1 1.326 ppm2 0.665 CV 1 ASSI { 1692} ( segid "B " and resid 98 and name HB% ) ( segid "B " and resid 70 and name HD2%) 2.300 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.69788E-02 ppm1 1.326 ppm2 0.665 CV 1 ASSI { 1693} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 110 and name HB )) 2.300 0.600 0.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.63894E-02 ppm1 0.779 ppm2 1.642 CV 1 ASSI { 1693} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 110 and name HB )) 2.300 0.600 0.600 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.63894E-02 ppm1 0.779 ppm2 1.642 CV 1 ASSI { 1700} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 62 and name HA )) 3.400 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 0.665 ppm2 4.885 CV 1 ASSI { 1700} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 62 and name HA )) 3.400 1.400 1.400 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 0.665 ppm2 4.885 CV 1 ASSI { 1702} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 62 and name HE% ) 4.400 2.400 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.98040E-03 ppm1 0.665 ppm2 6.526 CV 1 ASSI { 1702} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 62 and name HE% ) 4.400 2.400 1.600 peak 1702 spectrum 1 weight 0.10000E+01 volume 0.98040E-03 ppm1 0.665 ppm2 6.526 CV 1 ASSI { 1703} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 86 and name HN )) 3.600 1.600 1.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 0.779 ppm2 8.753 CV 1 ASSI { 1703} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 86 and name HN )) 3.600 1.600 1.600 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 0.779 ppm2 8.753 CV 1 ASSI { 1704} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 85 and name HB )) 2.300 0.700 0.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.61313E-02 ppm1 0.779 ppm2 1.954 CV 1 ASSI { 1704} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 85 and name HB )) 2.300 0.700 0.700 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.61313E-02 ppm1 0.779 ppm2 1.954 CV 1 ASSI { 1711} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 59 and name HA )) 3.200 1.300 1.300 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.24956E-02 ppm1 0.665 ppm2 4.689 CV 1 ASSI { 1711} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 59 and name HA )) 3.200 1.300 1.300 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.24956E-02 ppm1 0.665 ppm2 4.689 CV 1 ASSI { 1712} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 84 and name HA )) 3.800 1.800 1.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 0.767 ppm2 5.080 CV 1 ASSI { 1712} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 84 and name HA )) 3.800 1.800 1.800 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.12432E-02 ppm1 0.767 ppm2 5.080 CV 1 ASSI { 1713} ( segid "A " and resid 75 and name HB% ) (( segid "B " and resid 8 and name HB2 )) 2.200 0.600 0.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.70449E-02 ppm1 1.644 ppm2 2.892 CV 1 OR { 1713} ( segid "A " and resid 75 and name HB% ) (( segid "B " and resid 8 and name HB3 )) ASSI { 1713} ( segid "B " and resid 75 and name HB% ) (( segid "A " and resid 8 and name HB2 )) 2.200 0.600 0.600 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.70449E-02 ppm1 1.644 ppm2 2.892 CV 1 OR { 1713} ( segid "B " and resid 75 and name HB% ) (( segid "A " and resid 8 and name HB3 )) ASSI { 1714} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 42 and name HB3 )) 2.600 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 0.678 ppm2 1.681 CV 1 ASSI { 1714} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 42 and name HB3 )) 2.600 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.22830E-02 ppm1 0.678 ppm2 1.681 CV 1 ASSI { 1716} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 43 and name HD1%) 2.500 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.52827E-02 ppm1 0.779 ppm2 0.469 CV 1 ASSI { 1716} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 43 and name HD1%) 2.500 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.52827E-02 ppm1 0.779 ppm2 0.469 CV 1 ASSI { 1718} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 85 and name HG1%) 2.000 0.500 0.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.13620E-01 ppm1 0.779 ppm2 1.055 CV 1 ASSI { 1718} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 85 and name HG1%) 2.000 0.500 0.500 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.13620E-01 ppm1 0.779 ppm2 1.055 CV 1 ASSI { 1719} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 110 and name HG12)) 2.300 0.600 0.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.44433E-02 ppm1 0.779 ppm2 1.329 CV 1 ASSI { 1719} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 110 and name HG12)) 2.300 0.600 0.600 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.44433E-02 ppm1 0.779 ppm2 1.329 CV 1 ASSI { 1720} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 59 and name HG1%) 2.100 0.500 0.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 0.678 ppm2 1.016 CV 1 ASSI { 1720} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 59 and name HG1%) 2.100 0.500 0.500 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 0.678 ppm2 1.016 CV 1 ASSI { 1723} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 62 and name HB2 )) 2.400 0.700 0.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.38195E-02 ppm1 0.665 ppm2 2.736 CV 1 OR { 1723} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 62 and name HB3 )) ASSI { 1723} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 62 and name HB2 )) 2.400 0.700 0.700 peak 1723 spectrum 1 weight 0.10000E+01 volume 0.38195E-02 ppm1 0.665 ppm2 2.736 CV 1 OR { 1723} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 62 and name HB3 )) ASSI { 1724} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 59 and name HB )) 2.200 0.600 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.58963E-02 ppm1 0.678 ppm2 2.462 CV 1 ASSI { 1724} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 59 and name HB )) 2.200 0.600 0.600 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.58963E-02 ppm1 0.678 ppm2 2.462 CV 1 ASSI { 1727} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 87 and name HA )) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 0.830 ppm2 4.885 CV 1 ASSI { 1727} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 87 and name HA )) 3.100 1.200 1.200 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.21428E-02 ppm1 0.830 ppm2 4.885 CV 1 ASSI { 1731} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 112 and name HA )) 2.800 1.000 1.000 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.29032E-02 ppm1 0.817 ppm2 5.393 CV 1 ASSI { 1731} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 112 and name HA )) 2.800 1.000 1.000 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.29032E-02 ppm1 0.817 ppm2 5.393 CV 1 ASSI { 1732} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 87 and name HN )) 2.200 0.600 0.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.60116E-02 ppm1 0.817 ppm2 9.144 CV 1 ASSI { 1732} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 87 and name HN )) 2.200 0.600 0.600 peak 1732 spectrum 1 weight 0.10000E+01 volume 0.60116E-02 ppm1 0.817 ppm2 9.144 CV 1 ASSI { 1737} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 54 and name HG2 )) 2.800 1.000 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.43423E-02 ppm1 1.479 ppm2 2.540 CV 1 ASSI { 1737} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 54 and name HG2 )) 2.800 1.000 1.000 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.43423E-02 ppm1 1.479 ppm2 2.540 CV 1 ASSI { 1744} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 54 and name HA )) 3.600 1.600 1.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 1.479 ppm2 4.689 CV 1 ASSI { 1744} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 54 and name HA )) 3.600 1.600 1.600 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.15644E-02 ppm1 1.479 ppm2 4.689 CV 1 ASSI { 1745} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 54 and name HG3 )) 2.700 0.900 0.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.25597E-02 ppm1 1.479 ppm2 2.814 CV 1 ASSI { 1745} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 54 and name HG3 )) 2.700 0.900 0.900 peak 1745 spectrum 1 weight 0.10000E+01 volume 0.25597E-02 ppm1 1.479 ppm2 2.814 CV 1 ASSI { 1751} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 45 and name HA )) 2.600 0.900 0.900 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 0.856 ppm2 5.627 CV 1 ASSI { 1751} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 45 and name HA )) 2.600 0.900 0.900 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.27510E-02 ppm1 0.856 ppm2 5.627 CV 1 ASSI { 1752} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 45 and name HN )) 3.600 1.600 1.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.17519E-02 ppm1 0.843 ppm2 8.753 CV 1 ASSI { 1752} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 45 and name HN )) 3.600 1.600 1.600 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.17519E-02 ppm1 0.843 ppm2 8.753 CV 1 ASSI { 1753} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 10 and name HA )) 2.200 0.600 0.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.90762E-02 ppm1 0.487 ppm2 3.908 CV 1 ASSI { 1753} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 10 and name HA )) 2.200 0.600 0.600 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.90762E-02 ppm1 0.487 ppm2 3.908 CV 1 ASSI { 1754} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 10 and name HB )) 2.200 0.600 0.600 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.11735E-01 ppm1 0.487 ppm2 4.299 CV 1 ASSI { 1754} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 10 and name HB )) 2.200 0.600 0.600 peak 1754 spectrum 1 weight 0.10000E+01 volume 0.11735E-01 ppm1 0.487 ppm2 4.299 CV 1 ASSI { 1755} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 14 and name HG3 )) 2.900 1.100 1.100 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.24334E-02 ppm1 0.487 ppm2 2.853 CV 1 ASSI { 1755} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 14 and name HG3 )) 2.900 1.100 1.100 peak 1755 spectrum 1 weight 0.10000E+01 volume 0.24334E-02 ppm1 0.487 ppm2 2.853 CV 1 ASSI { 1756} ( segid "A " and resid 10 and name HG2%) ( segid "B " and resid 105 and name HD% ) 2.900 1.100 1.100 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 0.487 ppm2 7.464 CV 1 ASSI { 1756} ( segid "B " and resid 10 and name HG2%) ( segid "A " and resid 105 and name HD% ) 2.900 1.100 1.100 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 0.487 ppm2 7.464 CV 1 ASSI { 1757} ( segid "A " and resid 10 and name HG2%) ( segid "B " and resid 105 and name HE% ) 2.700 0.900 0.900 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 0.487 ppm2 6.956 CV 1 ASSI { 1757} ( segid "B " and resid 10 and name HG2%) ( segid "A " and resid 105 and name HE% ) 2.700 0.900 0.900 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.30099E-02 ppm1 0.487 ppm2 6.956 CV 1 ASSI { 1758} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 14 and name HG2 )) 3.900 1.900 1.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 0.487 ppm2 2.306 CV 1 ASSI { 1758} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 14 and name HG2 )) 3.900 1.900 1.900 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.11754E-02 ppm1 0.487 ppm2 2.306 CV 1 ASSI { 1759} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 23 and name HA )) 2.300 0.600 0.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.10760E-01 ppm1 0.817 ppm2 4.260 CV 1 ASSI { 1759} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 23 and name HA )) 2.300 0.600 0.600 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.10760E-01 ppm1 0.817 ppm2 4.260 CV 1 ASSI { 1764} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 111 and name HA )) 4.100 2.100 1.900 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.13230E-02 ppm1 0.805 ppm2 5.783 CV 1 ASSI { 1764} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 111 and name HA )) 4.100 2.100 1.900 peak 1764 spectrum 1 weight 0.10000E+01 volume 0.13230E-02 ppm1 0.805 ppm2 5.783 CV 1 ASSI { 1765} ( segid "A " and resid 23 and name HG2%) ( segid "A " and resid 111 and name HE% ) 3.200 1.300 1.300 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.24724E-02 ppm1 0.805 ppm2 6.721 CV 1 ASSI { 1765} ( segid "B " and resid 23 and name HG2%) ( segid "B " and resid 111 and name HE% ) 3.200 1.300 1.300 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.24724E-02 ppm1 0.805 ppm2 6.721 CV 1 ASSI { 1766} ( segid "A " and resid 23 and name HG2%) ( segid "A " and resid 23 and name HG1%) 2.000 0.500 0.500 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.25420E-01 ppm1 0.817 ppm2 1.095 CV 1 ASSI { 1766} ( segid "B " and resid 23 and name HG2%) ( segid "B " and resid 23 and name HG1%) 2.000 0.500 0.500 peak 1766 spectrum 1 weight 0.10000E+01 volume 0.25420E-01 ppm1 0.817 ppm2 1.095 CV 1 ASSI { 1767} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 7 and name HA )) 3.900 1.900 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 0.487 ppm2 4.963 CV 1 ASSI { 1767} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 7 and name HA )) 3.900 1.900 1.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 0.487 ppm2 4.963 CV 1 ASSI { 1768} ( segid "A " and resid 23 and name HG2%) ( segid "A " and resid 111 and name HD% ) 3.300 1.300 1.300 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 0.805 ppm2 6.995 CV 1 ASSI { 1768} ( segid "B " and resid 23 and name HG2%) ( segid "B " and resid 111 and name HD% ) 3.300 1.300 1.300 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.29219E-02 ppm1 0.805 ppm2 6.995 CV 1 ASSI { 1769} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 111 and name HN )) 3.500 1.500 1.500 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.23285E-02 ppm1 0.779 ppm2 9.105 CV 1 ASSI { 1769} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 111 and name HN )) 3.500 1.500 1.500 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.23285E-02 ppm1 0.779 ppm2 9.105 CV 1 ASSI { 1771} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 111 and name HB2 )) 4.200 2.200 1.800 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 0.754 ppm2 2.892 CV 1 ASSI { 1771} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 111 and name HB2 )) 4.100 2.100 1.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.10408E-02 ppm1 0.754 ppm2 2.892 CV 1 ASSI { 1772} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 87 and name HB )) 2.200 0.600 0.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.61061E-02 ppm1 0.830 ppm2 1.876 CV 1 ASSI { 1772} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 87 and name HB )) 2.200 0.600 0.600 peak 1772 spectrum 1 weight 0.10000E+01 volume 0.61061E-02 ppm1 0.830 ppm2 1.876 CV 1 ASSI { 1776} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 86 and name HA )) 3.500 1.500 1.500 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.23062E-02 ppm1 0.767 ppm2 4.846 CV 1 ASSI { 1776} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 86 and name HA )) 3.500 1.500 1.500 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.23062E-02 ppm1 0.767 ppm2 4.846 CV 1 ASSI { 1777} ( segid "A " and resid 87 and name HG1%) ( segid "A " and resid 42 and name HD1%) 3.500 1.500 1.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.36998E-02 ppm1 0.843 ppm2 0.274 CV 1 ASSI { 1777} ( segid "B " and resid 87 and name HG1%) ( segid "B " and resid 42 and name HD1%) 3.500 1.500 1.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.36998E-02 ppm1 0.843 ppm2 0.274 CV 1 ASSI { 1781} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 86 and name HA )) 3.000 1.100 1.100 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 0.830 ppm2 4.846 CV 1 ASSI { 1781} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 86 and name HA )) 3.000 1.100 1.100 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.27380E-02 ppm1 0.830 ppm2 4.846 CV 1 ASSI { 1782} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 15 and name HB )) 2.100 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 0.754 ppm2 1.720 CV 1 ASSI { 1782} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 15 and name HB )) 2.100 0.600 0.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.11772E-01 ppm1 0.754 ppm2 1.720 CV 1 ASSI { 1784} ( segid "A " and resid 23 and name HG1%) ( segid "A " and resid 111 and name HD% ) 2.400 0.700 0.700 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.52186E-02 ppm1 1.072 ppm2 6.995 CV 1 ASSI { 1784} ( segid "B " and resid 23 and name HG1%) ( segid "B " and resid 111 and name HD% ) 2.400 0.700 0.700 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.52186E-02 ppm1 1.072 ppm2 6.995 CV 1 ASSI { 1786} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 23 and name HB )) 2.300 0.700 0.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.71367E-02 ppm1 1.072 ppm2 2.032 CV 1 ASSI { 1786} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 23 and name HB )) 2.300 0.700 0.700 peak 1786 spectrum 1 weight 0.10000E+01 volume 0.71367E-02 ppm1 1.072 ppm2 2.032 CV 1 ASSI { 1787} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 100 and name HB3 )) 3.800 1.800 1.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.18940E-02 ppm1 0.716 ppm2 2.189 CV 1 ASSI { 1787} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 100 and name HB3 )) 3.800 1.800 1.800 peak 1787 spectrum 1 weight 0.10000E+01 volume 0.18940E-02 ppm1 0.716 ppm2 2.189 CV 1 ASSI { 1788} ( segid "A " and resid 15 and name HG1%) ( segid "A " and resid 15 and name HG2%) 2.200 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.11698E-01 ppm1 0.754 ppm2 0.430 CV 1 ASSI { 1788} ( segid "B " and resid 15 and name HG1%) ( segid "B " and resid 15 and name HG2%) 2.200 0.600 0.600 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.11698E-01 ppm1 0.754 ppm2 0.430 CV 1 ASSI { 1789} ( segid "A " and resid 23 and name HG1%) ( segid "A " and resid 25 and name HD1%) 3.500 1.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.28271E-02 ppm1 1.072 ppm2 0.587 CV 1 ASSI { 1789} ( segid "B " and resid 23 and name HG1%) ( segid "B " and resid 25 and name HD1%) 3.500 1.500 1.500 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.28271E-02 ppm1 1.072 ppm2 0.587 CV 1 ASSI { 1795} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 111 and name HA )) 3.700 1.800 1.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.13880E-02 ppm1 1.072 ppm2 5.783 CV 1 ASSI { 1795} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 111 and name HA )) 3.700 1.800 1.800 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.13880E-02 ppm1 1.072 ppm2 5.783 CV 1 ASSI { 1797} ( segid "A " and resid 97 and name HD2%) ( segid "A " and resid 97 and name HD1%) 2.100 0.600 0.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.14066E-01 ppm1 0.716 ppm2 1.016 CV 1 ASSI { 1797} ( segid "B " and resid 97 and name HD2%) ( segid "B " and resid 97 and name HD1%) 2.100 0.600 0.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.14066E-01 ppm1 0.716 ppm2 1.016 CV 1 ASSI { 1798} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 97 and name HA )) 2.300 0.600 0.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.80086E-02 ppm1 0.716 ppm2 3.908 CV 1 ASSI { 1798} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 97 and name HA )) 2.200 0.600 0.600 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.80086E-02 ppm1 0.716 ppm2 3.908 CV 1 ASSI { 1799} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 23 and name HA )) 2.400 0.700 0.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.72862E-02 ppm1 1.072 ppm2 4.260 CV 1 ASSI { 1799} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 23 and name HA )) 2.400 0.700 0.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.72862E-02 ppm1 1.072 ppm2 4.260 CV 1 ASSI { 1802} ( segid "A " and resid 23 and name HG1%) ( segid "A " and resid 111 and name HE% ) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.50006E-02 ppm1 1.072 ppm2 6.721 CV 1 ASSI { 1802} ( segid "B " and resid 23 and name HG1%) ( segid "B " and resid 111 and name HE% ) 2.800 1.000 1.000 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.50006E-02 ppm1 1.072 ppm2 6.721 CV 1 ASSI { 1812} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HG2 )) 2.600 0.800 0.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.61554E-02 ppm1 0.817 ppm2 1.173 CV 1 ASSI { 1812} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HG2 )) 2.600 0.800 0.800 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.61554E-02 ppm1 0.817 ppm2 1.173 CV 1 ASSI { 1813} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 109 and name HB )) 2.300 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.69512E-02 ppm1 1.021 ppm2 3.712 CV 1 ASSI { 1813} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 109 and name HB )) 2.300 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.69512E-02 ppm1 1.021 ppm2 3.712 CV 1 ASSI { 1814} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 109 and name HA )) 2.200 0.600 0.600 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 1.021 ppm2 4.299 CV 1 ASSI { 1814} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 109 and name HA )) 2.200 0.600 0.600 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.10454E-01 ppm1 1.021 ppm2 4.299 CV 1 ASSI { 1816} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 85 and name HN )) 4.000 2.000 2.000 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 1.021 ppm2 7.776 CV 1 ASSI { 1816} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 85 and name HN )) 4.000 2.000 2.000 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.14391E-02 ppm1 1.021 ppm2 7.776 CV 1 ASSI { 1817} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HE2 )) 3.500 1.500 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.19311E-02 ppm1 0.805 ppm2 3.009 CV 1 OR { 1817} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HE3 )) ASSI { 1817} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HE2 )) 3.500 1.500 1.500 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.19311E-02 ppm1 0.805 ppm2 3.009 CV 1 OR { 1817} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HE3 )) ASSI { 1822} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 84 and name HB2 )) 3.900 1.900 1.900 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.21475E-02 ppm1 1.021 ppm2 1.876 CV 1 ASSI { 1822} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 84 and name HB2 )) 3.900 1.900 1.900 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.21475E-02 ppm1 1.021 ppm2 1.876 CV 1 ASSI { 1823} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 41 and name HA )) 2.100 0.600 0.600 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.65017E-02 ppm1 0.805 ppm2 4.220 CV 1 ASSI { 1823} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 41 and name HA )) 2.100 0.600 0.600 peak 1823 spectrum 1 weight 0.10000E+01 volume 0.65017E-02 ppm1 0.805 ppm2 4.220 CV 1 ASSI { 1824} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.14790E-02 ppm1 -0.111 ppm2 7.542 CV 1 ASSI { 1824} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.14790E-02 ppm1 -0.111 ppm2 7.542 CV 1 ASSI { 1825} ( segid "A " and resid 101 and name HG2%) ( segid "A " and resid 102 and name HD2%) 3.400 1.500 1.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 1.161 ppm2 -0.078 CV 1 ASSI { 1825} ( segid "B " and resid 101 and name HG2%) ( segid "B " and resid 102 and name HD2%) 3.400 1.500 1.500 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.20295E-02 ppm1 1.161 ppm2 -0.078 CV 1 ASSI { 1826} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 102 and name HN )) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.19942E-02 ppm1 1.161 ppm2 8.753 CV 1 ASSI { 1826} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 102 and name HN )) 3.300 1.400 1.400 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.19942E-02 ppm1 1.161 ppm2 8.753 CV 1 ASSI { 1829} ( segid "A " and resid 101 and name HG2%) ( segid "A " and resid 105 and name HE% ) 2.600 0.800 0.800 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.31325E-02 ppm1 1.161 ppm2 6.956 CV 1 ASSI { 1829} ( segid "B " and resid 101 and name HG2%) ( segid "B " and resid 105 and name HE% ) 2.600 0.800 0.800 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.31325E-02 ppm1 1.161 ppm2 6.956 CV 1 ASSI { 1830} ( segid "A " and resid 101 and name HG2%) ( segid "A " and resid 70 and name HD2%) 3.200 1.300 1.300 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.51519E-02 ppm1 1.161 ppm2 0.626 CV 1 ASSI { 1834} ( segid "A " and resid 101 and name HG2%) ( segid "A " and resid 105 and name HD% ) 3.400 1.400 1.400 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.17686E-02 ppm1 1.161 ppm2 7.464 CV 1 ASSI { 1834} ( segid "B " and resid 101 and name HG2%) ( segid "B " and resid 105 and name HD% ) 3.400 1.400 1.400 peak 1834 spectrum 1 weight 0.10000E+01 volume 0.17686E-02 ppm1 1.161 ppm2 7.464 CV 1 ASSI { 1835} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 101 and name HB )) 2.200 0.600 0.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.75266E-02 ppm1 1.161 ppm2 4.220 CV 1 ASSI { 1835} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 101 and name HB )) 2.200 0.600 0.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.75266E-02 ppm1 1.161 ppm2 4.220 CV 1 ASSI { 1836} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 84 and name HA )) 3.900 1.900 1.900 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 1.008 ppm2 5.119 CV 1 ASSI { 1836} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 84 and name HA )) 3.900 1.900 1.900 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.23257E-02 ppm1 1.008 ppm2 5.119 CV 1 ASSI { 1839} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 102 and name HA )) 2.400 0.700 0.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.37897E-02 ppm1 -0.098 ppm2 3.791 CV 1 ASSI { 1839} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 102 and name HA )) 2.400 0.700 0.700 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.37897E-02 ppm1 -0.098 ppm2 3.791 CV 1 ASSI { 1840} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 101 and name HA )) 2.400 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.62223E-02 ppm1 1.161 ppm2 4.103 CV 1 ASSI { 1840} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 101 and name HA )) 2.400 0.700 0.700 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.62223E-02 ppm1 1.161 ppm2 4.103 CV 1 ASSI { 1841} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 31 and name HE% ) 2.300 0.600 0.600 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.66409E-02 ppm1 0.996 ppm2 6.838 CV 1 ASSI { 1841} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 31 and name HE% ) 2.300 0.600 0.600 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.66409E-02 ppm1 0.996 ppm2 6.838 CV 1 ASSI { 1844} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 59 and name HA )) 2.400 0.700 0.700 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.63810E-02 ppm1 0.996 ppm2 4.689 CV 1 ASSI { 1844} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 59 and name HA )) 2.400 0.700 0.700 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.63810E-02 ppm1 0.996 ppm2 4.689 CV 1 ASSI { 1845} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 59 and name HB )) 2.200 0.600 0.600 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.63263E-02 ppm1 0.996 ppm2 2.462 CV 1 ASSI { 1845} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 59 and name HB )) 2.200 0.600 0.600 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.63263E-02 ppm1 0.996 ppm2 2.462 CV 1 ASSI { 1846} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 31 and name HD% ) 2.300 0.600 0.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.63653E-02 ppm1 0.996 ppm2 7.073 CV 1 ASSI { 1846} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 31 and name HD% ) 2.300 0.600 0.600 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.63653E-02 ppm1 0.996 ppm2 7.073 CV 1 ASSI { 1854} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 102 and name HB3 )) 2.700 0.900 0.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 -0.111 ppm2 1.798 CV 1 ASSI { 1854} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 102 and name HB3 )) 2.700 0.900 0.900 peak 1854 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 -0.111 ppm2 1.798 CV 1 ASSI { 1858} ( segid "A " and resid 73 and name HD2%) (( segid "A " and resid 73 and name HA )) 2.000 0.500 0.500 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.10677E-01 ppm1 0.805 ppm2 4.064 CV 1 ASSI { 1858} ( segid "B " and resid 73 and name HD2%) (( segid "B " and resid 73 and name HA )) 2.000 0.500 0.500 peak 1858 spectrum 1 weight 0.10000E+01 volume 0.10677E-01 ppm1 0.805 ppm2 4.064 CV 1 ASSI { 1867} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 63 and name HE2 )) 2.200 0.600 0.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.46077E-02 ppm1 0.856 ppm2 3.009 CV 1 OR { 1867} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 63 and name HE3 )) ASSI { 1867} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 63 and name HE2 )) 2.200 0.600 0.600 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.46077E-02 ppm1 0.856 ppm2 3.009 CV 1 OR { 1867} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 63 and name HE3 )) ASSI { 1876} ( segid "A " and resid 125 and name HD2%) ( segid "A " and resid 31 and name HE% ) 3.000 1.100 1.100 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.23601E-02 ppm1 0.105 ppm2 6.878 CV 1 ASSI { 1876} ( segid "B " and resid 125 and name HD2%) ( segid "B " and resid 31 and name HE% ) 3.000 1.100 1.100 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.23601E-02 ppm1 0.105 ppm2 6.878 CV 1 ASSI { 1877} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 101 and name HB )) 3.600 1.600 1.600 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 0.143 ppm2 4.220 CV 1 ASSI { 1877} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 101 and name HB )) 3.500 1.500 1.500 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 0.143 ppm2 4.220 CV 1 ASSI { 1878} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 126 and name HD3 )) 3.300 1.300 1.300 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 0.092 ppm2 3.283 CV 1 ASSI { 1878} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 126 and name HD3 )) 3.300 1.300 1.300 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 0.092 ppm2 3.283 CV 1 ASSI { 1879} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 33 and name HD2%) 3.700 1.700 1.700 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 0.932 ppm2 0.079 CV 1 ASSI { 1879} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 33 and name HD2%) 3.700 1.700 1.700 peak 1879 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 0.932 ppm2 0.079 CV 1 ASSI { 1881} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 25 and name HD1%) 2.100 0.500 0.500 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 0.932 ppm2 0.587 CV 1 ASSI { 1881} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 25 and name HD1%) 2.100 0.500 0.500 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.13304E-01 ppm1 0.932 ppm2 0.587 CV 1 ASSI { 1885} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HN )) 4.300 2.300 1.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 0.143 ppm2 7.737 CV 1 ASSI { 1885} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HN )) 4.300 2.300 1.700 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.10324E-02 ppm1 0.143 ppm2 7.737 CV 1 ASSI { 1890} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HG )) 2.300 0.600 0.600 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.49716E-02 ppm1 0.143 ppm2 1.524 CV 1 ASSI { 1890} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HG )) 2.300 0.600 0.600 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.49716E-02 ppm1 0.143 ppm2 1.524 CV 1 ASSI { 1893} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 128 and name HB2 )) 2.800 1.000 1.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.690 ppm2 1.329 CV 1 ASSI { 1893} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 128 and name HB2 )) 2.800 1.000 1.000 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.690 ppm2 1.329 CV 1 ASSI { 1894} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 79 and name HG )) 1.900 0.500 0.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.10398E-01 ppm1 0.856 ppm2 1.407 CV 1 ASSI { 1894} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 79 and name HG )) 1.900 0.500 0.500 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.10398E-01 ppm1 0.856 ppm2 1.407 CV 1 ASSI { 1895} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14883E-01 ppm1 0.678 ppm2 4.650 CV 1 ASSI { 1895} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 128 and name HA )) 2.200 0.600 0.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.14883E-01 ppm1 0.678 ppm2 4.650 CV 1 ASSI { 1896} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.39532E-02 ppm1 0.678 ppm2 1.759 CV 1 ASSI { 1896} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 58 and name HB2 )) 3.300 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.39532E-02 ppm1 0.678 ppm2 1.759 CV 1 ASSI { 1897} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 128 and name HG )) 1.900 0.500 0.500 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.16647E-01 ppm1 0.678 ppm2 1.173 CV 1 ASSI { 1897} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 128 and name HG )) 1.900 0.500 0.500 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.16647E-01 ppm1 0.678 ppm2 1.173 CV 1 ASSI { 1900} ( segid "A " and resid 125 and name HD2%) ( segid "A " and resid 31 and name HD% ) 2.600 0.800 0.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.32281E-02 ppm1 0.105 ppm2 7.073 CV 1 ASSI { 1900} ( segid "B " and resid 125 and name HD2%) ( segid "B " and resid 31 and name HD% ) 2.600 0.800 0.800 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.32281E-02 ppm1 0.105 ppm2 7.073 CV 1 ASSI { 1901} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 25 and name HA )) 2.000 0.500 0.500 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 0.932 ppm2 5.080 CV 1 ASSI { 1901} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 25 and name HA )) 2.000 0.500 0.500 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.84337E-02 ppm1 0.932 ppm2 5.080 CV 1 ASSI { 1903} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 125 and name HG )) 2.100 0.500 0.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.79379E-02 ppm1 0.105 ppm2 0.704 CV 1 ASSI { 1903} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 125 and name HG )) 2.100 0.500 0.500 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.79379E-02 ppm1 0.105 ppm2 0.704 CV 1 ASSI { 1908} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 79 and name HA )) 2.300 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.98135E-02 ppm1 0.856 ppm2 4.260 CV 1 ASSI { 1908} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 79 and name HA )) 2.300 0.700 0.700 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.98135E-02 ppm1 0.856 ppm2 4.260 CV 1 ASSI { 1909} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 58 and name HA )) 3.700 1.700 1.700 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.38252E-02 ppm1 0.678 ppm2 4.416 CV 1 ASSI { 1909} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 58 and name HA )) 3.700 1.700 1.700 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.38252E-02 ppm1 0.678 ppm2 4.416 CV 1 ASSI { 1911} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 111 and name HE% ) 3.600 1.600 1.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.18151E-02 ppm1 0.932 ppm2 6.721 CV 1 ASSI { 1911} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 111 and name HE% ) 3.600 1.600 1.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.18151E-02 ppm1 0.932 ppm2 6.721 CV 1 ASSI { 1914} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 85 and name HB )) 2.200 0.600 0.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.53848E-02 ppm1 1.046 ppm2 1.954 CV 1 ASSI { 1914} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 85 and name HB )) 2.200 0.600 0.600 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.53848E-02 ppm1 1.046 ppm2 1.954 CV 1 ASSI { 1915} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 33 and name HG )) 1.900 0.500 0.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.94791E-02 ppm1 0.550 ppm2 1.212 CV 1 ASSI { 1915} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 33 and name HG )) 1.900 0.500 0.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.94791E-02 ppm1 0.550 ppm2 1.212 CV 1 ASSI { 1917} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 102 and name HD1%) 3.600 1.600 1.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.21010E-02 ppm1 1.046 ppm2 0.157 CV 1 ASSI { 1917} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 102 and name HD1%) 3.600 1.600 1.600 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.21010E-02 ppm1 1.046 ppm2 0.157 CV 1 ASSI { 1920} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 33 and name HD2%) 2.000 0.500 0.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.18466E-01 ppm1 0.550 ppm2 0.079 CV 1 ASSI { 1920} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 33 and name HD2%) 2.000 0.500 0.500 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.18466E-01 ppm1 0.550 ppm2 0.079 CV 1 ASSI { 1921} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 86 and name HN )) 2.800 1.000 1.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.14530E-02 ppm1 0.754 ppm2 8.753 CV 1 ASSI { 1921} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 86 and name HN )) 2.800 1.000 1.000 peak 1921 spectrum 1 weight 0.10000E+01 volume 0.14530E-02 ppm1 0.754 ppm2 8.753 CV 1 ASSI { 1923} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 85 and name HA )) 2.500 0.800 0.800 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.36310E-02 ppm1 1.034 ppm2 5.275 CV 1 ASSI { 1923} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 85 and name HA )) 2.500 0.800 0.800 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.36310E-02 ppm1 1.034 ppm2 5.275 CV 1 ASSI { 1927} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 86 and name HN )) 3.700 1.700 1.700 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 1.034 ppm2 8.753 CV 1 ASSI { 1927} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 86 and name HN )) 3.700 1.700 1.700 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 1.034 ppm2 8.753 CV 1 ASSI { 1932} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.23740E-02 ppm1 0.550 ppm2 7.854 CV 1 ASSI { 1932} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.23740E-02 ppm1 0.550 ppm2 7.854 CV 1 ASSI { 1936} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.87280E-03 ppm1 0.538 ppm2 6.995 CV 1 ASSI { 1936} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.87280E-03 ppm1 0.538 ppm2 6.995 CV 1 ASSI { 1940} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 34 and name HN )) 3.000 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 0.550 ppm2 7.972 CV 1 ASSI { 1940} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 34 and name HN )) 3.000 1.100 1.100 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.12729E-02 ppm1 0.550 ppm2 7.972 CV 1 ASSI { 1941} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 111 and name HE% ) 3.100 1.200 1.200 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 0.550 ppm2 6.721 CV 1 ASSI { 1941} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 111 and name HE% ) 3.100 1.200 1.200 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.15449E-02 ppm1 0.550 ppm2 6.721 CV 1 ASSI { 1942} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 41 and name HB )) 2.400 0.700 0.700 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.35641E-02 ppm1 1.046 ppm2 3.634 CV 1 ASSI { 1942} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 41 and name HB )) 2.400 0.700 0.700 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.35641E-02 ppm1 1.046 ppm2 3.634 CV 1 ASSI { 1946} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.52976E-02 ppm1 0.538 ppm2 3.283 CV 1 ASSI { 1946} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.52976E-02 ppm1 0.538 ppm2 3.283 CV 1 ASSI { 1949} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HA )) 3.500 1.500 1.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.34139E-02 ppm1 0.232 ppm2 3.791 CV 1 ASSI { 1949} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 51 and name HA )) 3.500 1.500 1.500 peak 1949 spectrum 1 weight 0.10000E+01 volume 0.34139E-02 ppm1 0.232 ppm2 3.791 CV 1 ASSI { 1950} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 64 and name HB3 )) 3.500 1.600 1.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.17380E-02 ppm1 0.232 ppm2 3.283 CV 1 ASSI { 1950} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 64 and name HB3 )) 3.500 1.600 1.600 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.17380E-02 ppm1 0.232 ppm2 3.283 CV 1 ASSI { 1953} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 34 and name HA )) 2.300 0.600 0.600 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.57590E-02 ppm1 0.754 ppm2 3.869 CV 1 ASSI { 1953} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 34 and name HA )) 2.300 0.600 0.600 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.57590E-02 ppm1 0.754 ppm2 3.869 CV 1 ASSI { 1954} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 48 and name HA )) 3.000 1.100 1.100 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.17789E-02 ppm1 0.232 ppm2 4.142 CV 1 ASSI { 1954} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 48 and name HA )) 3.000 1.100 1.100 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.17789E-02 ppm1 0.232 ppm2 4.142 CV 1 ASSI { 1955} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HG )) 2.100 0.500 0.500 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.13991E-01 ppm1 0.232 ppm2 1.290 CV 1 OR { 1955} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HB2 )) ASSI { 1955} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 51 and name HG )) 2.100 0.500 0.500 peak 1955 spectrum 1 weight 0.10000E+01 volume 0.13991E-01 ppm1 0.232 ppm2 1.290 CV 1 OR { 1955} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 51 and name HB2 )) ASSI { 1961} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HB3 )) 2.300 0.700 0.700 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.65518E-02 ppm1 0.232 ppm2 1.485 CV 1 ASSI { 1961} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 51 and name HB3 )) 2.300 0.700 0.700 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.65518E-02 ppm1 0.232 ppm2 1.485 CV 1 ASSI { 1962} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 56 and name HE2 )) 3.200 1.300 1.300 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 0.232 ppm2 2.423 CV 1 ASSI { 1962} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 56 and name HE2 )) 3.200 1.300 1.300 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.13313E-02 ppm1 0.232 ppm2 2.423 CV 1 ASSI { 1967} (( segid "A " and resid 56 and name HG3 )) (( segid "A " and resid 56 and name HG2 )) 1.800 0.400 0.400 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.42048E-02 ppm1 1.123 ppm2 0.938 CV 1 ASSI { 1967} (( segid "B " and resid 56 and name HG3 )) (( segid "B " and resid 56 and name HG2 )) 1.800 0.400 0.400 peak 1967 spectrum 1 weight 0.10000E+01 volume 0.42048E-02 ppm1 1.123 ppm2 0.938 CV 1 ASSI { 1968} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 11 and name HZ )) 3.800 1.800 1.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 0.436 ppm2 7.034 CV 1 ASSI { 1968} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 11 and name HZ )) 3.700 1.800 1.800 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.17120E-02 ppm1 0.436 ppm2 7.034 CV 1 ASSI { 1970} ( segid "A " and resid 15 and name HG2%) (( segid "B " and resid 97 and name HB3 )) 3.000 1.100 1.100 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.31279E-02 ppm1 0.436 ppm2 1.915 CV 1 ASSI { 1970} ( segid "B " and resid 15 and name HG2%) (( segid "A " and resid 97 and name HB3 )) 2.900 1.100 1.100 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.31279E-02 ppm1 0.436 ppm2 1.915 CV 1 ASSI { 1974} (( segid "A " and resid 56 and name HG2 )) (( segid "A " and resid 56 and name HD3 )) 2.200 0.600 0.600 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.63068E-02 ppm1 0.932 ppm2 1.173 CV 1 OR { 1974} (( segid "A " and resid 56 and name HG2 )) (( segid "A " and resid 56 and name HB2 )) ASSI { 1974} (( segid "B " and resid 56 and name HG2 )) (( segid "B " and resid 56 and name HD3 )) 2.200 0.600 0.600 peak 1974 spectrum 1 weight 0.10000E+01 volume 0.63068E-02 ppm1 0.932 ppm2 1.173 CV 1 OR { 1974} (( segid "B " and resid 56 and name HG2 )) (( segid "B " and resid 56 and name HB2 )) ASSI { 1975} ( segid "A " and resid 15 and name HG2%) ( segid "B " and resid 97 and name HD1%) 2.600 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.41360E-02 ppm1 0.436 ppm2 1.016 CV 1 ASSI { 1975} ( segid "B " and resid 15 and name HG2%) ( segid "A " and resid 97 and name HD1%) 2.600 0.800 0.800 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.41360E-02 ppm1 0.436 ppm2 1.016 CV 1 ASSI { 1979} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HB3 )) 3.400 1.500 1.500 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 0.321 ppm2 1.485 CV 1 ASSI { 1979} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 51 and name HB3 )) 3.400 1.500 1.500 peak 1979 spectrum 1 weight 0.10000E+01 volume 0.28325E-02 ppm1 0.321 ppm2 1.485 CV 1 ASSI { 1982} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.86974E-03 ppm1 0.334 ppm2 2.970 CV 1 ASSI { 1982} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 1982 spectrum 1 weight 0.10000E+01 volume 0.86974E-03 ppm1 0.334 ppm2 2.970 CV 1 ASSI { 1983} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 42 and name HN )) 3.200 1.200 1.200 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 0.754 ppm2 8.480 CV 1 ASSI { 1983} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 42 and name HN )) 3.200 1.200 1.200 peak 1983 spectrum 1 weight 0.10000E+01 volume 0.11707E-02 ppm1 0.754 ppm2 8.480 CV 1 ASSI { 1985} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 15 and name HA )) 2.400 0.700 0.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.52938E-02 ppm1 0.436 ppm2 3.283 CV 1 ASSI { 1985} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 15 and name HA )) 2.400 0.700 0.700 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.52938E-02 ppm1 0.436 ppm2 3.283 CV 1 ASSI { 1986} (( segid "A " and resid 56 and name HG2 )) (( segid "A " and resid 56 and name HE3 )) 3.900 1.900 1.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.88450E-03 ppm1 0.932 ppm2 2.618 CV 1 ASSI { 1986} (( segid "B " and resid 56 and name HG2 )) (( segid "B " and resid 56 and name HE3 )) 3.900 1.900 1.900 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.88450E-03 ppm1 0.932 ppm2 2.618 CV 1 ASSI { 1987} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 12 and name HA )) 3.400 1.500 1.500 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.23582E-02 ppm1 0.436 ppm2 3.400 CV 1 ASSI { 1987} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 12 and name HA )) 3.400 1.500 1.500 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.23582E-02 ppm1 0.436 ppm2 3.400 CV 1 ASSI { 1988} (( segid "A " and resid 56 and name HG3 )) (( segid "A " and resid 56 and name HE3 )) 3.900 1.900 1.900 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.91385E-03 ppm1 1.110 ppm2 2.618 CV 1 ASSI { 1988} (( segid "B " and resid 56 and name HG3 )) (( segid "B " and resid 56 and name HE3 )) 3.900 1.900 1.900 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.91385E-03 ppm1 1.110 ppm2 2.618 CV 1 ASSI { 1991} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 11 and name HD% ) 3.100 1.200 1.200 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 0.436 ppm2 7.385 CV 1 ASSI { 1991} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 11 and name HD% ) 3.100 1.200 1.200 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 0.436 ppm2 7.385 CV 1 ASSI { 1993} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 15 and name HB )) 2.100 0.600 0.600 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.92100E-02 ppm1 0.436 ppm2 1.720 CV 1 ASSI { 1993} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 15 and name HB )) 2.100 0.600 0.600 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.92100E-02 ppm1 0.436 ppm2 1.720 CV 1 ASSI { 1994} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HG )) 2.100 0.600 0.600 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.93213E-02 ppm1 0.334 ppm2 1.290 CV 1 OR { 1994} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HB2 )) ASSI { 1994} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 51 and name HG )) 2.100 0.600 0.600 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.93213E-02 ppm1 0.334 ppm2 1.290 CV 1 OR { 1994} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 51 and name HB2 )) ASSI { 1996} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 64 and name HD2 )) 3.100 1.200 1.200 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.16266E-02 ppm1 0.334 ppm2 7.034 CV 1 ASSI { 1996} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 64 and name HD2 )) 3.100 1.200 1.200 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.16266E-02 ppm1 0.334 ppm2 7.034 CV 1 ASSI { 1998} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HA )) 2.700 0.900 0.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.37786E-02 ppm1 0.334 ppm2 3.791 CV 1 ASSI { 1998} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 51 and name HA )) 2.700 0.900 0.900 peak 1998 spectrum 1 weight 0.10000E+01 volume 0.37786E-02 ppm1 0.334 ppm2 3.791 CV 1 ASSI { 1999} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 34 and name HN )) 3.800 1.800 1.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.18643E-02 ppm1 0.767 ppm2 7.972 CV 1 ASSI { 1999} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 34 and name HN )) 3.800 1.800 1.800 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.18643E-02 ppm1 0.767 ppm2 7.972 CV 1 ASSI { 2000} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 11 and name HE% ) 2.500 0.800 0.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.28466E-02 ppm1 0.436 ppm2 7.190 CV 1 ASSI { 2000} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 11 and name HE% ) 2.500 0.800 0.800 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.28466E-02 ppm1 0.436 ppm2 7.190 CV 1 ASSI { 2001} (( segid "A " and resid 56 and name HG3 )) (( segid "A " and resid 56 and name HE2 )) 3.100 1.200 1.200 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.66994E-03 ppm1 1.135 ppm2 2.423 CV 1 ASSI { 2001} (( segid "B " and resid 56 and name HG3 )) (( segid "B " and resid 56 and name HE2 )) 3.100 1.200 1.200 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.66994E-03 ppm1 1.135 ppm2 2.423 CV 1 ASSI { 2014} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 102 and name HA )) 4.900 2.900 1.100 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.73820E-03 ppm1 -0.073 ppm2 3.791 CV 1 ASSI { 2014} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 102 and name HA )) 4.800 2.900 1.200 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.73820E-03 ppm1 -0.073 ppm2 3.791 CV 1 ASSI { 2018} ( segid "A " and resid 97 and name HD1%) (( segid "A " and resid 97 and name HB3 )) 2.300 0.700 0.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.65480E-02 ppm1 0.996 ppm2 1.954 CV 1 ASSI { 2018} ( segid "B " and resid 97 and name HD1%) (( segid "B " and resid 97 and name HB3 )) 2.300 0.700 0.700 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.65480E-02 ppm1 0.996 ppm2 1.954 CV 1 ASSI { 2020} ( segid "A " and resid 97 and name HD1%) (( segid "A " and resid 97 and name HA )) 2.800 1.000 1.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 1.008 ppm2 3.908 CV 1 ASSI { 2020} ( segid "B " and resid 97 and name HD1%) (( segid "B " and resid 97 and name HA )) 2.800 1.000 1.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 1.008 ppm2 3.908 CV 1 ASSI { 2024} ( segid "A " and resid 97 and name HD1%) (( segid "A " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.43580E-02 ppm1 0.996 ppm2 1.681 CV 1 ASSI { 2024} ( segid "B " and resid 97 and name HD1%) (( segid "B " and resid 97 and name HB2 )) 3.200 1.300 1.300 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.43580E-02 ppm1 0.996 ppm2 1.681 CV 1 ASSI { 2037} ( segid "A " and resid 97 and name HD1%) (( segid "B " and resid 15 and name HA )) 3.500 1.500 1.500 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 0.996 ppm2 3.283 CV 1 ASSI { 2037} ( segid "B " and resid 97 and name HD1%) (( segid "A " and resid 15 and name HA )) 3.500 1.500 1.500 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.10519E-02 ppm1 0.996 ppm2 3.283 CV 1 ASSI { 2039} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HG3 )) 1.500 0.300 0.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.19599E-01 ppm1 1.174 ppm2 1.290 CV 1 ASSI { 2039} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HG3 )) 1.500 0.300 0.700 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.19599E-01 ppm1 1.174 ppm2 1.290 CV 1 ASSI { 2040} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 74 and name HG )) 2.400 0.700 0.700 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 -0.086 ppm2 1.524 CV 1 ASSI { 2040} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 74 and name HG )) 2.400 0.700 0.700 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.35522E-02 ppm1 -0.086 ppm2 1.524 CV 1 ASSI { 2048} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HB3 )) 1.900 0.500 0.500 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.83698E-02 ppm1 1.186 ppm2 1.446 CV 1 ASSI { 2048} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HB3 )) 1.900 0.500 0.500 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.83698E-02 ppm1 1.186 ppm2 1.446 CV 1 ASSI { 2049} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HD3 )) 2.600 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.30518E-02 ppm1 1.174 ppm2 1.759 CV 1 ASSI { 2049} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HD3 )) 2.600 0.800 0.800 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.30518E-02 ppm1 1.174 ppm2 1.759 CV 1 ASSI { 2050} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 74 and name HB3 )) 3.200 1.300 1.300 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.38455E-02 ppm1 -0.086 ppm2 1.642 CV 1 ASSI { 2050} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 74 and name HB3 )) 3.200 1.300 1.300 peak 2050 spectrum 1 weight 0.10000E+01 volume 0.38455E-02 ppm1 -0.086 ppm2 1.642 CV 1 ASSI { 2053} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HE3 )) 2.700 0.900 0.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.20499E-02 ppm1 1.186 ppm2 3.009 CV 1 OR { 2053} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HE2 )) ASSI { 2053} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HE3 )) 2.700 0.900 0.900 peak 2053 spectrum 1 weight 0.10000E+01 volume 0.20499E-02 ppm1 1.186 ppm2 3.009 CV 1 OR { 2053} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HE2 )) ASSI { 2060} (( segid "A " and resid 76 and name HG3 )) (( segid "A " and resid 73 and name HA )) 1.800 0.400 0.400 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.47786E-02 ppm1 1.479 ppm2 4.064 CV 1 ASSI { 2060} (( segid "B " and resid 76 and name HG3 )) (( segid "B " and resid 73 and name HA )) 1.800 0.400 0.400 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.47786E-02 ppm1 1.479 ppm2 4.064 CV 1 ASSI { 2061} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 74 and name HA )) 2.700 0.900 0.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.20639E-02 ppm1 -0.073 ppm2 3.478 CV 1 ASSI { 2061} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 74 and name HA )) 2.700 0.900 0.900 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.20639E-02 ppm1 -0.073 ppm2 3.478 CV 1 ASSI { 2065} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HA )) 2.400 0.700 0.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.58313E-02 ppm1 -0.226 ppm2 3.791 CV 1 ASSI { 2065} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HA )) 2.400 0.700 0.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.58313E-02 ppm1 -0.226 ppm2 3.791 CV 1 ASSI { 2066} ( segid "A " and resid 125 and name HD1%) ( segid "A " and resid 31 and name HD% ) 3.400 1.400 1.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18243E-02 ppm1 -0.226 ppm2 7.073 CV 1 ASSI { 2066} ( segid "B " and resid 125 and name HD1%) ( segid "B " and resid 31 and name HD% ) 3.400 1.400 1.400 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.18243E-02 ppm1 -0.226 ppm2 7.073 CV 1 ASSI { 2067} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HG3 )) 3.800 1.800 1.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.15338E-02 ppm1 -0.226 ppm2 2.228 CV 1 ASSI { 2067} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HG3 )) 3.800 1.800 1.800 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.15338E-02 ppm1 -0.226 ppm2 2.228 CV 1 ASSI { 2070} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 128 and name HA )) 3.700 1.700 1.700 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.25281E-02 ppm1 0.627 ppm2 4.650 CV 1 ASSI { 2070} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 128 and name HA )) 3.700 1.700 1.700 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.25281E-02 ppm1 0.627 ppm2 4.650 CV 1 ASSI { 2071} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HA )) 3.600 1.700 1.700 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.18123E-02 ppm1 1.174 ppm2 4.260 CV 1 ASSI { 2071} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HA )) 3.600 1.700 1.700 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.18123E-02 ppm1 1.174 ppm2 4.260 CV 1 ASSI { 2072} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HE3 )) 3.500 1.500 1.500 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.80224E-03 ppm1 -0.200 ppm2 7.620 CV 1 ASSI { 2072} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HE3 )) 3.500 1.500 1.500 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.80224E-03 ppm1 -0.200 ppm2 7.620 CV 1 ASSI { 2073} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.51016E-02 ppm1 -0.213 ppm2 1.642 CV 1 ASSI { 2073} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.51016E-02 ppm1 -0.213 ppm2 1.642 CV 1 ASSI { 2074} (( segid "A " and resid 63 and name HG2 )) (( segid "A " and resid 63 and name HN )) 4.300 2.300 1.700 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.76419E-03 ppm1 1.186 ppm2 8.480 CV 1 ASSI { 2074} (( segid "B " and resid 63 and name HG2 )) (( segid "B " and resid 63 and name HN )) 4.300 2.300 1.700 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.76419E-03 ppm1 1.186 ppm2 8.480 CV 1 ASSI { 2075} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 56 and name HE2 )) 3.800 1.800 1.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.29403E-02 ppm1 0.639 ppm2 2.423 CV 1 ASSI { 2075} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 56 and name HE2 )) 3.800 1.800 1.800 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.29403E-02 ppm1 0.639 ppm2 2.423 CV 1 ASSI { 2080} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 56 and name HE3 )) 2.300 0.700 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.24770E-02 ppm1 0.639 ppm2 2.618 CV 1 ASSI { 2080} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 56 and name HE3 )) 2.300 0.700 0.700 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.24770E-02 ppm1 0.639 ppm2 2.618 CV 1 ASSI { 2081} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 31 and name HB3 )) 3.200 1.300 1.300 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.14047E-02 ppm1 -0.226 ppm2 2.892 CV 1 ASSI { 2081} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 31 and name HB3 )) 3.200 1.300 1.300 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.14047E-02 ppm1 -0.226 ppm2 2.892 CV 1 ASSI { 2083} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 58 and name HA )) 2.400 0.700 0.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.38669E-02 ppm1 0.639 ppm2 4.416 CV 1 ASSI { 2083} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 58 and name HA )) 2.400 0.700 0.700 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.38669E-02 ppm1 0.639 ppm2 4.416 CV 1 ASSI { 2084} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HB3 )) 3.300 1.400 1.400 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.18494E-02 ppm1 -0.226 ppm2 2.657 CV 1 ASSI { 2084} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HB3 )) 3.300 1.400 1.400 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.18494E-02 ppm1 -0.226 ppm2 2.657 CV 1 ASSI { 2086} ( segid "A " and resid 125 and name HD1%) ( segid "A " and resid 31 and name HE% ) 4.100 2.100 1.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.96649E-03 ppm1 -0.226 ppm2 6.878 CV 1 ASSI { 2086} ( segid "B " and resid 125 and name HD1%) ( segid "B " and resid 31 and name HE% ) 4.100 2.100 1.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.96649E-03 ppm1 -0.226 ppm2 6.878 CV 1 ASSI { 2100} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 0.627 ppm2 1.759 CV 1 ASSI { 2100} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 58 and name HB2 )) 3.100 1.200 1.200 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.19868E-02 ppm1 0.627 ppm2 1.759 CV 1 ASSI { 2103} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 42 and name HN )) 3.700 1.700 1.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.19386E-02 ppm1 0.372 ppm2 8.480 CV 1 ASSI { 2103} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 42 and name HN )) 3.700 1.700 1.700 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.19386E-02 ppm1 0.372 ppm2 8.480 CV 1 ASSI { 2106} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 62 and name HD% ) 2.700 0.900 0.900 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.41065E-02 ppm1 0.372 ppm2 6.760 CV 1 ASSI { 2106} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 62 and name HD% ) 2.700 0.900 0.900 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.41065E-02 ppm1 0.372 ppm2 6.760 CV 1 ASSI { 2111} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 62 and name HE% ) 3.500 1.500 1.500 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.31956E-02 ppm1 0.372 ppm2 6.526 CV 1 ASSI { 2111} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 62 and name HE% ) 3.500 1.500 1.500 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.31956E-02 ppm1 0.372 ppm2 6.526 CV 1 ASSI { 2113} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 62 and name HE% ) 4.500 2.500 1.500 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.79501E-03 ppm1 0.245 ppm2 6.526 CV 1 ASSI { 2113} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 62 and name HE% ) 4.500 2.500 1.500 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.79501E-03 ppm1 0.245 ppm2 6.526 CV 1 ASSI { 2116} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 62 and name HD% ) 3.700 1.700 1.700 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.245 ppm2 6.760 CV 1 ASSI { 2116} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 62 and name HD% ) 3.700 1.700 1.700 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.15579E-02 ppm1 0.245 ppm2 6.760 CV 1 ASSI { 2123} (( segid "A " and resid 102 and name HG )) ( segid "A " and resid 102 and name HD1%) 2.700 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 1.555 ppm2 0.157 CV 1 ASSI { 2123} (( segid "B " and resid 102 and name HG )) ( segid "B " and resid 102 and name HD1%) 2.700 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 1.555 ppm2 0.157 CV 1 ASSI { 2124} ( segid "A " and resid 33 and name HD2%) (( segid "A " and resid 33 and name HA )) 3.900 1.900 1.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.22978E-02 ppm1 0.054 ppm2 3.908 CV 1 ASSI { 2124} ( segid "B " and resid 33 and name HD2%) (( segid "B " and resid 33 and name HA )) 3.900 1.900 1.900 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.22978E-02 ppm1 0.054 ppm2 3.908 CV 1 ASSI { 2125} ( segid "A " and resid 79 and name HD1%) (( segid "A " and resid 63 and name HE3 )) 2.900 1.000 1.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 0.728 ppm2 3.009 CV 1 OR { 2125} ( segid "A " and resid 79 and name HD1%) (( segid "A " and resid 63 and name HE2 )) ASSI { 2125} ( segid "B " and resid 79 and name HD1%) (( segid "B " and resid 63 and name HE3 )) 2.900 1.000 1.000 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.11206E-02 ppm1 0.728 ppm2 3.009 CV 1 OR { 2125} ( segid "B " and resid 79 and name HD1%) (( segid "B " and resid 63 and name HE2 )) ASSI { 2131} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 88 and name HB2 )) 2.600 0.900 0.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.98785E-03 ppm1 0.245 ppm2 2.462 CV 1 ASSI { 2131} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 88 and name HB2 )) 2.600 0.900 0.900 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.98785E-03 ppm1 0.245 ppm2 2.462 CV 1 ASSI { 2133} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 88 and name HB3 )) 3.900 1.900 1.900 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.99156E-03 ppm1 0.258 ppm2 2.853 CV 1 ASSI { 2133} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 88 and name HB3 )) 3.900 1.900 1.900 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.99156E-03 ppm1 0.258 ppm2 2.853 CV 1 ASSI { 2134} ( segid "A " and resid 33 and name HD2%) (( segid "A " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.15959E-02 ppm1 0.054 ppm2 7.854 CV 1 ASSI { 2134} ( segid "B " and resid 33 and name HD2%) (( segid "B " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.15959E-02 ppm1 0.054 ppm2 7.854 CV 1 ASSI { 2139} ( segid "A " and resid 33 and name HD2%) (( segid "A " and resid 33 and name HG )) 2.100 0.600 0.600 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.69111E-02 ppm1 0.054 ppm2 1.212 CV 1 ASSI { 2139} ( segid "B " and resid 33 and name HD2%) (( segid "B " and resid 33 and name HG )) 2.100 0.600 0.600 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.69111E-02 ppm1 0.054 ppm2 1.212 CV 1 ASSI { 2143} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 42 and name HB3 )) 3.200 1.300 1.300 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 0.258 ppm2 1.681 CV 1 ASSI { 2143} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 42 and name HB3 )) 3.200 1.300 1.300 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.27008E-02 ppm1 0.258 ppm2 1.681 CV 1 ASSI { 2145} ( segid "A " and resid 33 and name HD2%) (( segid "A " and resid 33 and name HB3 )) 2.300 0.700 0.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.44972E-02 ppm1 0.054 ppm2 1.759 CV 1 ASSI { 2145} ( segid "B " and resid 33 and name HD2%) (( segid "B " and resid 33 and name HB3 )) 2.300 0.700 0.700 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.44972E-02 ppm1 0.054 ppm2 1.759 CV 1 ASSI { 2147} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 42 and name HG )) 2.300 0.700 0.700 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.35912E-02 ppm1 0.245 ppm2 1.329 CV 1 ASSI { 2147} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 42 and name HG )) 2.300 0.700 0.700 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.35912E-02 ppm1 0.245 ppm2 1.329 CV 1 ASSI { 2149} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 34 and name HD1%) 2.500 0.800 0.800 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.70151E-02 ppm1 0.258 ppm2 0.938 CV 1 ASSI { 2149} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 34 and name HD1%) 2.500 0.800 0.800 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.70151E-02 ppm1 0.258 ppm2 0.938 CV 1 ASSI { 2151} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 86 and name HG2%) 2.200 0.600 0.600 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.69799E-02 ppm1 0.245 ppm2 0.821 CV 1 ASSI { 2151} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 86 and name HG2%) 2.200 0.600 0.600 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.69799E-02 ppm1 0.245 ppm2 0.821 CV 1 ASSI { 2154} ( segid "A " and resid 102 and name HD1%) (( segid "A " and resid 102 and name HN )) 3.700 1.700 1.700 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 0.156 ppm2 8.753 CV 1 ASSI { 2154} ( segid "B " and resid 102 and name HD1%) (( segid "B " and resid 102 and name HN )) 3.700 1.700 1.700 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.18847E-02 ppm1 0.156 ppm2 8.753 CV 1 ASSI { 2155} ( segid "A " and resid 79 and name HD1%) ( segid "A " and resid 43 and name HD1%) 2.200 0.600 0.600 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.57089E-02 ppm1 0.728 ppm2 0.469 CV 1 ASSI { 2155} ( segid "B " and resid 79 and name HD1%) ( segid "B " and resid 43 and name HD1%) 2.200 0.600 0.600 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.57089E-02 ppm1 0.728 ppm2 0.469 CV 1 ASSI { 2160} ( segid "A " and resid 33 and name HD2%) ( segid "A " and resid 40 and name HD1%) 2.700 0.900 0.900 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.10853E-01 ppm1 0.054 ppm2 0.782 CV 1 ASSI { 2160} ( segid "B " and resid 33 and name HD2%) ( segid "B " and resid 40 and name HD1%) 2.700 0.900 0.900 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.10853E-01 ppm1 0.054 ppm2 0.782 CV 1 ASSI { 2168} (( segid "A " and resid 28 and name HG2 )) (( segid "A " and resid 27 and name HD2 )) 3.800 1.800 1.800 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.80884E-03 ppm1 1.212 ppm2 3.908 CV 1 ASSI { 2168} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 27 and name HD2 )) 3.800 1.800 1.800 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.80884E-03 ppm1 1.212 ppm2 3.908 CV 1 ASSI { 2171} ( segid "A " and resid 102 and name HD1%) (( segid "A " and resid 110 and name HG12)) 3.600 1.600 1.600 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.25847E-02 ppm1 0.169 ppm2 1.290 CV 1 ASSI { 2171} ( segid "B " and resid 102 and name HD1%) (( segid "B " and resid 110 and name HG12)) 3.600 1.600 1.600 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.25847E-02 ppm1 0.169 ppm2 1.290 CV 1 ASSI { 2172} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 121 and name HA )) 4.100 2.100 1.900 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 1.021 ppm2 4.260 CV 1 ASSI { 2172} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 121 and name HA )) 4.100 2.100 1.900 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.19135E-02 ppm1 1.021 ppm2 4.260 CV 1 ASSI { 2175} (( segid "A " and resid 28 and name HG2 )) (( segid "A " and resid 28 and name HE2 )) 3.700 1.700 1.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 1.237 ppm2 2.931 CV 1 OR { 2175} (( segid "A " and resid 28 and name HG2 )) (( segid "A " and resid 28 and name HE3 )) ASSI { 2175} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HE2 )) 3.700 1.700 1.700 peak 2175 spectrum 1 weight 0.10000E+01 volume 0.21177E-02 ppm1 1.237 ppm2 2.931 CV 1 OR { 2175} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HE3 )) ASSI { 2182} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 118 and name HA )) 3.700 1.700 1.700 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.14641E-02 ppm1 1.008 ppm2 4.377 CV 1 ASSI { 2182} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 118 and name HA )) 3.700 1.700 1.700 peak 2182 spectrum 1 weight 0.10000E+01 volume 0.14641E-02 ppm1 1.008 ppm2 4.377 CV 1 ASSI { 2184} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 121 and name HG )) 2.400 0.700 0.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.43932E-02 ppm1 1.021 ppm2 1.798 CV 1 ASSI { 2184} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 121 and name HG )) 2.400 0.700 0.700 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.43932E-02 ppm1 1.021 ppm2 1.798 CV 1 ASSI { 2185} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 70 and name HG )) 2.000 0.500 0.500 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.92528E-02 ppm1 0.627 ppm2 0.977 CV 1 ASSI { 2185} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 70 and name HG )) 2.000 0.500 0.500 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.92528E-02 ppm1 0.627 ppm2 0.977 CV 1 ASSI { 2188} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 101 and name HB )) 4.300 2.300 1.700 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 0.627 ppm2 4.220 CV 1 ASSI { 2188} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 101 and name HB )) 4.300 2.300 1.700 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.12757E-02 ppm1 0.627 ppm2 4.220 CV 1 ASSI { 2192} (( segid "A " and resid 28 and name HG2 )) (( segid "A " and resid 28 and name HG3 )) 1.800 0.400 0.400 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.88804E-02 ppm1 1.237 ppm2 1.485 CV 1 ASSI { 2192} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HG3 )) 1.800 0.400 0.400 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.88804E-02 ppm1 1.237 ppm2 1.485 CV 1 ASSI { 2200} (( segid "A " and resid 130 and name HG2 )) (( segid "A " and resid 130 and name HB3 )) 2.200 0.600 0.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.15273E-01 ppm1 1.453 ppm2 1.720 CV 1 OR { 2200} (( segid "A " and resid 130 and name HG3 )) (( segid "A " and resid 130 and name HB3 )) ASSI { 2200} (( segid "B " and resid 130 and name HG2 )) (( segid "B " and resid 130 and name HB3 )) 2.200 0.600 0.600 peak 2200 spectrum 1 weight 0.10000E+01 volume 0.15273E-01 ppm1 1.453 ppm2 1.720 CV 1 OR { 2200} (( segid "B " and resid 130 and name HG3 )) (( segid "B " and resid 130 and name HB3 )) ASSI { 2214} (( segid "A " and resid 28 and name HG3 )) (( segid "A " and resid 28 and name HE2 )) 2.700 0.900 0.900 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.23489E-02 ppm1 1.479 ppm2 2.931 CV 1 OR { 2214} (( segid "A " and resid 28 and name HG3 )) (( segid "A " and resid 28 and name HE3 )) ASSI { 2214} (( segid "B " and resid 28 and name HG3 )) (( segid "B " and resid 28 and name HE2 )) 2.700 0.900 0.900 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.23489E-02 ppm1 1.479 ppm2 2.931 CV 1 OR { 2214} (( segid "B " and resid 28 and name HG3 )) (( segid "B " and resid 28 and name HE3 )) ASSI { 2216} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 70 and name HA )) 4.100 2.100 1.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.16526E-02 ppm1 0.627 ppm2 3.283 CV 1 ASSI { 2216} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 70 and name HA )) 4.100 2.100 1.900 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.16526E-02 ppm1 0.627 ppm2 3.283 CV 1 ASSI { 2218} (( segid "A " and resid 28 and name HG2 )) (( segid "A " and resid 28 and name HA )) 3.100 1.200 1.200 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 1.237 ppm2 3.752 CV 1 ASSI { 2218} (( segid "B " and resid 28 and name HG2 )) (( segid "B " and resid 28 and name HA )) 3.100 1.200 1.200 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 1.237 ppm2 3.752 CV 1 ASSI { 2219} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 73 and name HB3 )) 2.200 0.600 0.600 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.68147E-02 ppm1 0.639 ppm2 1.798 CV 1 ASSI { 2219} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 73 and name HB3 )) 2.200 0.600 0.600 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.68147E-02 ppm1 0.639 ppm2 1.798 CV 1 ASSI { 2222} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 103 and name HG3 )) 1.600 0.300 0.600 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.14010E-01 ppm1 1.720 ppm2 1.915 CV 1 ASSI { 2222} (( segid "B " and resid 103 and name HG2 )) (( segid "B " and resid 103 and name HG3 )) 1.600 0.300 0.600 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.14010E-01 ppm1 1.720 ppm2 1.915 CV 1 ASSI { 2229} (( segid "A " and resid 128 and name HG )) ( segid "A " and resid 128 and name HD1%) 2.200 0.600 0.600 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.57785E-02 ppm1 1.161 ppm2 0.665 CV 1 ASSI { 2229} (( segid "B " and resid 128 and name HG )) ( segid "B " and resid 128 and name HD1%) 2.200 0.600 0.600 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.57785E-02 ppm1 1.161 ppm2 0.665 CV 1 ASSI { 2233} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 100 and name HA )) 2.800 0.900 0.900 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 1.733 ppm2 4.064 CV 1 ASSI { 2233} (( segid "B " and resid 103 and name HG2 )) (( segid "B " and resid 100 and name HA )) 2.800 0.900 0.900 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.11893E-02 ppm1 1.733 ppm2 4.064 CV 1 ASSI { 2236} ( segid "A " and resid 25 and name HD1%) ( segid "A " and resid 30 and name HB% ) 2.500 0.800 0.800 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.60552E-02 ppm1 0.563 ppm2 1.642 CV 1 ASSI { 2236} ( segid "B " and resid 25 and name HD1%) ( segid "B " and resid 30 and name HB% ) 2.500 0.800 0.800 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.60552E-02 ppm1 0.563 ppm2 1.642 CV 1 ASSI { 2238} (( segid "A " and resid 128 and name HG )) (( segid "A " and resid 58 and name HA )) 3.500 1.500 1.500 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 1.161 ppm2 4.416 CV 1 ASSI { 2238} (( segid "B " and resid 128 and name HG )) (( segid "B " and resid 58 and name HA )) 3.500 1.500 1.500 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.13221E-02 ppm1 1.161 ppm2 4.416 CV 1 ASSI { 2240} (( segid "A " and resid 103 and name HG3 )) (( segid "A " and resid 103 and name HD2 )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.22811E-02 ppm1 1.886 ppm2 3.283 CV 1 ASSI { 2240} (( segid "B " and resid 103 and name HG3 )) (( segid "B " and resid 103 and name HD2 )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.22811E-02 ppm1 1.886 ppm2 3.283 CV 1 ASSI { 2242} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 25 and name HA )) 4.500 2.500 1.500 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.95536E-03 ppm1 0.563 ppm2 5.041 CV 1 ASSI { 2242} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 25 and name HA )) 4.500 2.500 1.500 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.95536E-03 ppm1 0.563 ppm2 5.041 CV 1 ASSI { 2243} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 30 and name HN )) 3.400 1.500 1.500 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 0.563 ppm2 9.066 CV 1 ASSI { 2243} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 30 and name HN )) 3.400 1.500 1.500 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 0.563 ppm2 9.066 CV 1 ASSI { 2245} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 73 and name HA )) 3.000 1.100 1.100 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.18476E-02 ppm1 0.652 ppm2 4.064 CV 1 ASSI { 2245} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 73 and name HA )) 3.000 1.100 1.100 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.18476E-02 ppm1 0.652 ppm2 4.064 CV 1 ASSI { 2256} (( segid "A " and resid 128 and name HG )) (( segid "A " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.92081E-03 ppm1 1.161 ppm2 2.775 CV 1 ASSI { 2256} (( segid "B " and resid 128 and name HG )) (( segid "B " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.92081E-03 ppm1 1.161 ppm2 2.775 CV 1 ASSI { 2260} (( segid "A " and resid 128 and name HG )) (( segid "A " and resid 128 and name HA )) 3.100 1.200 1.200 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.86974E-03 ppm1 1.174 ppm2 4.650 CV 1 ASSI { 2260} (( segid "B " and resid 128 and name HG )) (( segid "B " and resid 128 and name HA )) 3.100 1.200 1.200 peak 2260 spectrum 1 weight 0.10000E+01 volume 0.86974E-03 ppm1 1.174 ppm2 4.650 CV 1 ASSI { 2265} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 42 and name HG )) 3.800 1.800 1.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 0.932 ppm2 1.329 CV 1 ASSI { 2265} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 42 and name HG )) 3.800 1.800 1.800 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 0.932 ppm2 1.329 CV 1 ASSI { 2266} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 34 and name HA )) 4.200 2.200 1.800 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.12478E-02 ppm1 0.932 ppm2 3.869 CV 1 ASSI { 2266} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 34 and name HA )) 4.200 2.200 1.800 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.12478E-02 ppm1 0.932 ppm2 3.869 CV 1 ASSI { 2271} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 34 and name HG )) 2.300 0.600 0.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.47498E-02 ppm1 0.932 ppm2 1.720 CV 1 ASSI { 2271} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 34 and name HG )) 2.300 0.600 0.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.47498E-02 ppm1 0.932 ppm2 1.720 CV 1 ASSI { 2273} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 34 and name HB3 )) 2.700 0.900 0.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.37935E-02 ppm1 0.932 ppm2 1.876 CV 1 ASSI { 2273} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 34 and name HB3 )) 2.700 0.900 0.900 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.37935E-02 ppm1 0.932 ppm2 1.876 CV 1 ASSI { 2275} (( segid "A " and resid 126 and name HG2 )) (( segid "A " and resid 126 and name HG3 )) 1.800 0.400 0.400 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.75900E-02 ppm1 1.949 ppm2 2.150 CV 1 ASSI { 2275} (( segid "B " and resid 126 and name HG2 )) (( segid "B " and resid 126 and name HG3 )) 1.800 0.400 0.400 peak 2275 spectrum 1 weight 0.10000E+01 volume 0.75900E-02 ppm1 1.949 ppm2 2.150 CV 1 ASSI { 2284} (( segid "A " and resid 126 and name HG2 )) (( segid "A " and resid 57 and name HA )) 3.500 1.600 1.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.15235E-02 ppm1 1.975 ppm2 4.025 CV 1 ASSI { 2284} (( segid "B " and resid 126 and name HG2 )) (( segid "B " and resid 57 and name HA )) 3.500 1.600 1.600 peak 2284 spectrum 1 weight 0.10000E+01 volume 0.15235E-02 ppm1 1.975 ppm2 4.025 CV 1 ASSI { 2286} (( segid "A " and resid 126 and name HG3 )) (( segid "A " and resid 126 and name HD3 )) 2.800 1.000 1.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 2.153 ppm2 3.283 CV 1 ASSI { 2286} (( segid "B " and resid 126 and name HG3 )) (( segid "B " and resid 126 and name HD3 )) 2.800 1.000 1.000 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.11698E-02 ppm1 2.153 ppm2 3.283 CV 1 ASSI { 2291} (( segid "A " and resid 126 and name HG2 )) (( segid "A " and resid 57 and name HB3 )) 3.600 1.600 1.600 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.12840E-02 ppm1 1.975 ppm2 0.743 CV 1 ASSI { 2291} (( segid "B " and resid 126 and name HG2 )) (( segid "B " and resid 57 and name HB3 )) 3.600 1.600 1.600 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.12840E-02 ppm1 1.975 ppm2 0.743 CV 1 ASSI { 2294} (( segid "A " and resid 126 and name HG2 )) (( segid "A " and resid 126 and name HD3 )) 3.500 1.600 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 1.949 ppm2 3.283 CV 1 ASSI { 2294} (( segid "B " and resid 126 and name HG2 )) (( segid "B " and resid 126 and name HD3 )) 3.500 1.600 1.600 peak 2294 spectrum 1 weight 0.10000E+01 volume 0.12459E-02 ppm1 1.949 ppm2 3.283 CV 1 ASSI { 2297} (( segid "A " and resid 48 and name HG2 )) (( segid "A " and resid 48 and name HG3 )) 2.200 0.600 0.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.39310E-02 ppm1 2.217 ppm2 2.579 CV 1 OR { 2297} (( segid "A " and resid 48 and name HG2 )) (( segid "A " and resid 48 and name HB3 )) ASSI { 2297} (( segid "B " and resid 48 and name HG2 )) (( segid "B " and resid 48 and name HG3 )) 2.200 0.600 0.600 peak 2297 spectrum 1 weight 0.10000E+01 volume 0.39310E-02 ppm1 2.217 ppm2 2.579 CV 1 OR { 2297} (( segid "B " and resid 48 and name HG2 )) (( segid "B " and resid 48 and name HB3 )) ASSI { 2301} (( segid "A " and resid 48 and name HG3 )) (( segid "A " and resid 48 and name HD2 )) 3.400 1.500 1.500 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.92219E-03 ppm1 2.534 ppm2 3.752 CV 1 ASSI { 2301} (( segid "B " and resid 48 and name HG3 )) (( segid "B " and resid 48 and name HD2 )) 3.400 1.500 1.500 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.92219E-03 ppm1 2.534 ppm2 3.752 CV 1 ASSI { 2304} (( segid "A " and resid 48 and name HG3 )) (( segid "A " and resid 48 and name HG2 )) 2.200 0.600 0.600 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.36321E-02 ppm1 2.534 ppm2 2.228 CV 1 ASSI { 2304} (( segid "B " and resid 48 and name HG3 )) (( segid "B " and resid 48 and name HG2 )) 2.200 0.600 0.600 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.36321E-02 ppm1 2.534 ppm2 2.228 CV 1 ASSI { 2313} (( segid "A " and resid 104 and name HB3 )) (( segid "A " and resid 104 and name HA )) 2.900 1.100 1.100 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.18912E-02 ppm1 2.674 ppm2 4.142 CV 1 ASSI { 2313} (( segid "B " and resid 104 and name HB3 )) (( segid "B " and resid 104 and name HA )) 2.900 1.100 1.100 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.18912E-02 ppm1 2.674 ppm2 4.142 CV 1 ASSI { 2316} (( segid "A " and resid 48 and name HG2 )) (( segid "A " and resid 48 and name HA )) 3.900 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 2.255 ppm2 4.142 CV 1 ASSI { 2316} (( segid "B " and resid 48 and name HG2 )) (( segid "B " and resid 48 and name HA )) 3.900 1.900 1.900 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.12218E-02 ppm1 2.255 ppm2 4.142 CV 1 ASSI { 2317} (( segid "A " and resid 104 and name HB3 )) (( segid "A " and resid 104 and name HG2 )) 3.400 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.17612E-02 ppm1 2.674 ppm2 2.306 CV 1 ASSI { 2317} (( segid "B " and resid 104 and name HB3 )) (( segid "B " and resid 104 and name HG2 )) 3.400 1.400 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.17612E-02 ppm1 2.674 ppm2 2.306 CV 1 ASSI { 2318} (( segid "A " and resid 48 and name HG3 )) (( segid "A " and resid 48 and name HA )) 4.100 2.100 1.900 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.12515E-02 ppm1 2.534 ppm2 4.103 CV 1 ASSI { 2319} (( segid "A " and resid 63 and name HD2 )) ( segid "A " and resid 79 and name HD2%) 3.400 1.500 1.500 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 1.479 ppm2 0.860 CV 1 ASSI { 2319} (( segid "B " and resid 63 and name HD2 )) ( segid "B " and resid 79 and name HD2%) 3.400 1.500 1.500 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.26107E-02 ppm1 1.479 ppm2 0.860 CV 1 ASSI { 2324} (( segid "A " and resid 63 and name HD2 )) (( segid "A " and resid 63 and name HE2 )) 2.100 0.500 0.500 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.59299E-02 ppm1 1.479 ppm2 3.009 CV 1 OR { 2324} (( segid "A " and resid 63 and name HD2 )) (( segid "A " and resid 63 and name HE3 )) ASSI { 2324} (( segid "B " and resid 63 and name HD2 )) (( segid "B " and resid 63 and name HE2 )) 2.100 0.500 0.500 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.59299E-02 ppm1 1.479 ppm2 3.009 CV 1 OR { 2324} (( segid "B " and resid 63 and name HD2 )) (( segid "B " and resid 63 and name HE3 )) ASSI { 2327} (( segid "A " and resid 104 and name HB2 )) (( segid "A " and resid 104 and name HB3 )) 2.100 0.500 0.500 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.38753E-02 ppm1 2.089 ppm2 2.697 CV 1 ASSI { 2327} (( segid "B " and resid 104 and name HB2 )) (( segid "B " and resid 104 and name HB3 )) 2.100 0.500 0.500 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.38753E-02 ppm1 2.089 ppm2 2.697 CV 1 ASSI { 2332} (( segid "A " and resid 63 and name HD2 )) (( segid "A " and resid 63 and name HA )) 3.900 1.900 1.900 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 1.479 ppm2 4.260 CV 1 ASSI { 2332} (( segid "B " and resid 63 and name HD2 )) (( segid "B " and resid 63 and name HA )) 3.900 1.900 1.900 peak 2332 spectrum 1 weight 0.10000E+01 volume 0.14326E-02 ppm1 1.479 ppm2 4.260 CV 1 ASSI { 2335} (( segid "A " and resid 56 and name HD2 )) ( segid "A " and resid 128 and name HD1%) 2.800 1.000 1.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.16888E-02 ppm1 1.059 ppm2 0.665 CV 1 ASSI { 2335} (( segid "B " and resid 56 and name HD2 )) ( segid "B " and resid 128 and name HD1%) 2.800 1.000 1.000 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.16888E-02 ppm1 1.059 ppm2 0.665 CV 1 ASSI { 2336} (( segid "A " and resid 60 and name HD3 )) ( segid "A " and resid 59 and name HG1%) 3.700 1.700 1.700 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.18931E-02 ppm1 1.670 ppm2 1.016 CV 1 OR { 2336} (( segid "A " and resid 60 and name HD2 )) ( segid "A " and resid 59 and name HG1%) ASSI { 2336} (( segid "B " and resid 60 and name HD3 )) ( segid "B " and resid 59 and name HG1%) 3.700 1.700 1.700 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.18931E-02 ppm1 1.670 ppm2 1.016 CV 1 OR { 2336} (( segid "B " and resid 60 and name HD2 )) ( segid "B " and resid 59 and name HG1%) ASSI { 2340} (( segid "A " and resid 56 and name HD3 )) ( segid "A " and resid 128 and name HD1%) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.14985E-02 ppm1 1.161 ppm2 0.665 CV 1 ASSI { 2340} (( segid "B " and resid 56 and name HD3 )) ( segid "B " and resid 128 and name HD1%) 3.200 1.300 1.300 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.14985E-02 ppm1 1.161 ppm2 0.665 CV 1 ASSI { 2342} (( segid "A " and resid 28 and name HD2 )) ( segid "A " and resid 125 and name HD2%) 3.200 1.300 1.300 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 1.593 ppm2 0.118 CV 1 OR { 2342} (( segid "A " and resid 28 and name HD3 )) ( segid "A " and resid 125 and name HD2%) ASSI { 2342} (( segid "B " and resid 28 and name HD2 )) ( segid "B " and resid 125 and name HD2%) 3.200 1.300 1.300 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.12599E-02 ppm1 1.593 ppm2 0.118 CV 1 OR { 2342} (( segid "B " and resid 28 and name HD3 )) ( segid "B " and resid 125 and name HD2%) ASSI { 2345} (( segid "A " and resid 56 and name HD3 )) (( segid "A " and resid 56 and name HE3 )) 2.800 1.000 1.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 1.161 ppm2 2.618 CV 1 ASSI { 2345} (( segid "B " and resid 56 and name HD3 )) (( segid "B " and resid 56 and name HE3 )) 2.800 1.000 1.000 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 1.161 ppm2 2.618 CV 1 ASSI { 2348} (( segid "A " and resid 103 and name HB2 )) (( segid "A " and resid 103 and name HD2 )) 3.600 1.600 1.600 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 1.975 ppm2 3.283 CV 1 ASSI { 2348} (( segid "B " and resid 103 and name HB2 )) (( segid "B " and resid 103 and name HD2 )) 3.600 1.600 1.600 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.12469E-02 ppm1 1.975 ppm2 3.283 CV 1 ASSI { 2352} (( segid "A " and resid 56 and name HD2 )) (( segid "A " and resid 56 and name HE3 )) 2.600 0.800 0.800 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 1.059 ppm2 2.618 CV 1 ASSI { 2352} (( segid "B " and resid 56 and name HD2 )) (( segid "B " and resid 56 and name HE3 )) 2.600 0.800 0.800 peak 2352 spectrum 1 weight 0.10000E+01 volume 0.14966E-02 ppm1 1.059 ppm2 2.618 CV 1 ASSI { 2356} (( segid "A " and resid 103 and name HB3 )) (( segid "A " and resid 103 and name HD2 )) 3.800 1.800 1.800 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.10677E-02 ppm1 2.089 ppm2 3.283 CV 1 ASSI { 2356} (( segid "B " and resid 103 and name HB3 )) (( segid "B " and resid 103 and name HD2 )) 3.800 1.800 1.800 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.10677E-02 ppm1 2.089 ppm2 3.283 CV 1 ASSI { 2359} (( segid "A " and resid 56 and name HD2 )) (( segid "A " and resid 56 and name HE2 )) 2.800 1.000 1.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.17668E-02 ppm1 1.059 ppm2 2.423 CV 1 ASSI { 2359} (( segid "B " and resid 56 and name HD2 )) (( segid "B " and resid 56 and name HE2 )) 2.800 1.000 1.000 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.17668E-02 ppm1 1.059 ppm2 2.423 CV 1 ASSI { 2362} (( segid "A " and resid 56 and name HD3 )) (( segid "A " and resid 56 and name HE2 )) 3.200 1.300 1.300 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.14437E-02 ppm1 1.186 ppm2 2.423 CV 1 ASSI { 2362} (( segid "B " and resid 56 and name HD3 )) (( segid "B " and resid 56 and name HE2 )) 3.200 1.300 1.300 peak 2362 spectrum 1 weight 0.10000E+01 volume 0.14437E-02 ppm1 1.186 ppm2 2.423 CV 1 ASSI { 2363} (( segid "A " and resid 56 and name HD2 )) (( segid "A " and resid 56 and name HD3 )) 1.400 0.300 0.800 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.18373E-01 ppm1 1.059 ppm2 1.173 CV 1 OR { 2363} (( segid "A " and resid 56 and name HD2 )) (( segid "A " and resid 56 and name HB2 )) ASSI { 2363} (( segid "B " and resid 56 and name HD2 )) (( segid "B " and resid 56 and name HD3 )) 1.400 0.300 0.800 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.18373E-01 ppm1 1.059 ppm2 1.173 CV 1 OR { 2363} (( segid "B " and resid 56 and name HD2 )) (( segid "B " and resid 56 and name HB2 )) ASSI { 2367} (( segid "A " and resid 5 and name HB3 )) (( segid "A " and resid 6 and name HG3 )) 4.100 2.100 1.900 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 2.077 ppm2 1.446 CV 1 OR { 2367} (( segid "A " and resid 5 and name HB2 )) (( segid "A " and resid 6 and name HG3 )) ASSI { 2367} (( segid "B " and resid 5 and name HB3 )) (( segid "B " and resid 6 and name HG3 )) 4.100 2.100 1.900 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.14010E-02 ppm1 2.077 ppm2 1.446 CV 1 OR { 2367} (( segid "B " and resid 5 and name HB2 )) (( segid "B " and resid 6 and name HG3 )) ASSI { 2371} (( segid "A " and resid 5 and name HB3 )) (( segid "A " and resid 5 and name HG2 )) 2.200 0.600 0.600 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.16285E-01 ppm1 2.064 ppm2 2.306 CV 1 OR { 2371} (( segid "A " and resid 5 and name HB2 )) (( segid "A " and resid 5 and name HG2 )) ASSI { 2371} (( segid "B " and resid 5 and name HB3 )) (( segid "B " and resid 5 and name HG2 )) 2.200 0.600 0.600 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.16285E-01 ppm1 2.064 ppm2 2.306 CV 1 OR { 2371} (( segid "B " and resid 5 and name HB2 )) (( segid "B " and resid 5 and name HG2 )) ASSI { 2376} (( segid "A " and resid 56 and name HD3 )) ( segid "A " and resid 51 and name HD2%) 3.800 1.800 1.800 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 1.161 ppm2 0.235 CV 1 ASSI { 2376} (( segid "B " and resid 56 and name HD3 )) ( segid "B " and resid 51 and name HD2%) 3.800 1.800 1.800 peak 2376 spectrum 1 weight 0.10000E+01 volume 0.14567E-02 ppm1 1.161 ppm2 0.235 CV 1 ASSI { 2380} (( segid "A " and resid 82 and name HB2 )) (( segid "A " and resid 82 and name HA )) 3.200 1.200 1.200 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.28176E-02 ppm1 1.924 ppm2 4.142 CV 1 ASSI { 2380} (( segid "B " and resid 82 and name HB2 )) (( segid "B " and resid 82 and name HA )) 3.200 1.200 1.200 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.28176E-02 ppm1 1.924 ppm2 4.142 CV 1 ASSI { 2391} (( segid "A " and resid 35 and name HB2 )) (( segid "A " and resid 35 and name HA )) 2.500 0.800 0.800 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.39765E-02 ppm1 1.873 ppm2 3.869 CV 1 ASSI { 2391} (( segid "B " and resid 35 and name HB2 )) (( segid "B " and resid 35 and name HA )) 2.500 0.800 0.800 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.39765E-02 ppm1 1.873 ppm2 3.869 CV 1 ASSI { 2411} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 27 and name HG3 )) 2.600 0.900 0.900 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 2.624 ppm2 2.228 CV 1 ASSI { 2411} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 27 and name HG3 )) 2.600 0.900 0.900 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.14725E-02 ppm1 2.624 ppm2 2.228 CV 1 ASSI { 2414} (( segid "A " and resid 81 and name HB2 )) (( segid "A " and resid 81 and name HB3 )) 2.600 0.800 0.800 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 0.906 ppm2 1.720 CV 1 ASSI { 2414} (( segid "B " and resid 81 and name HB2 )) (( segid "B " and resid 81 and name HB3 )) 2.600 0.800 0.800 peak 2414 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 0.906 ppm2 1.720 CV 1 ASSI { 2417} (( segid "A " and resid 36 and name HB2 )) (( segid "A " and resid 36 and name HA )) 3.200 1.300 1.300 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.19237E-02 ppm1 1.949 ppm2 4.142 CV 1 ASSI { 2417} (( segid "B " and resid 36 and name HB2 )) (( segid "B " and resid 36 and name HA )) 3.200 1.300 1.300 peak 2417 spectrum 1 weight 0.10000E+01 volume 0.19237E-02 ppm1 1.949 ppm2 4.142 CV 1 ASSI { 2426} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 2.649 ppm2 1.642 CV 1 ASSI { 2426} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 27 and name HB2 )) 2.200 0.600 0.600 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.20908E-02 ppm1 2.649 ppm2 1.642 CV 1 ASSI { 2431} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 27 and name HG2 )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 2.624 ppm2 1.993 CV 1 ASSI { 2431} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 27 and name HG2 )) 3.600 1.600 1.600 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 2.624 ppm2 1.993 CV 1 ASSI { 2443} (( segid "A " and resid 57 and name HB3 )) (( segid "A " and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 0.779 ppm2 0.235 CV 1 ASSI { 2443} (( segid "B " and resid 57 and name HB3 )) (( segid "B " and resid 57 and name HB2 )) 2.200 0.600 0.600 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.23155E-02 ppm1 0.779 ppm2 0.235 CV 1 ASSI { 2446} (( segid "A " and resid 3 and name HB2 )) (( segid "A " and resid 3 and name HA )) 2.500 0.800 0.800 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 1.695 ppm2 4.416 CV 1 OR { 2446} (( segid "A " and resid 3 and name HB3 )) (( segid "A " and resid 3 and name HA )) ASSI { 2446} (( segid "B " and resid 3 and name HB2 )) (( segid "B " and resid 3 and name HA )) 2.500 0.800 0.800 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.46272E-02 ppm1 1.695 ppm2 4.416 CV 1 OR { 2446} (( segid "B " and resid 3 and name HB3 )) (( segid "B " and resid 3 and name HA )) ASSI { 2447} (( segid "A " and resid 3 and name HB3 )) (( segid "A " and resid 3 and name HG2 )) 2.200 0.600 0.600 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.74023E-02 ppm1 1.695 ppm2 2.345 CV 1 OR { 2447} (( segid "A " and resid 3 and name HB2 )) (( segid "A " and resid 3 and name HG2 )) OR { 2447} (( segid "A " and resid 3 and name HB3 )) (( segid "A " and resid 3 and name HG3 )) OR { 2447} (( segid "A " and resid 3 and name HB2 )) (( segid "A " and resid 3 and name HG3 )) ASSI { 2447} (( segid "B " and resid 3 and name HB3 )) (( segid "B " and resid 3 and name HG2 )) 2.200 0.600 0.600 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.74023E-02 ppm1 1.695 ppm2 2.345 CV 1 OR { 2447} (( segid "B " and resid 3 and name HB2 )) (( segid "B " and resid 3 and name HG2 )) OR { 2447} (( segid "B " and resid 3 and name HB3 )) (( segid "B " and resid 3 and name HG3 )) OR { 2447} (( segid "B " and resid 3 and name HB2 )) (( segid "B " and resid 3 and name HG3 )) ASSI { 2451} (( segid "A " and resid 48 and name HB2 )) (( segid "A " and resid 48 and name HA )) 3.200 1.300 1.300 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 2.140 ppm2 4.103 CV 1 ASSI { 2451} (( segid "B " and resid 48 and name HB2 )) (( segid "B " and resid 48 and name HA )) 3.200 1.300 1.300 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.17510E-02 ppm1 2.140 ppm2 4.103 CV 1 ASSI { 2452} (( segid "A " and resid 48 and name HB2 )) (( segid "A " and resid 48 and name HB3 )) 2.300 0.600 0.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.39143E-02 ppm1 2.127 ppm2 2.579 CV 1 OR { 2452} (( segid "A " and resid 48 and name HB2 )) (( segid "A " and resid 48 and name HG3 )) ASSI { 2452} (( segid "B " and resid 48 and name HB2 )) (( segid "B " and resid 48 and name HB3 )) 2.300 0.600 0.600 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.39143E-02 ppm1 2.127 ppm2 2.579 CV 1 OR { 2452} (( segid "B " and resid 48 and name HB2 )) (( segid "B " and resid 48 and name HG3 )) ASSI { 2458} (( segid "A " and resid 28 and name HB3 )) (( segid "A " and resid 28 and name HE3 )) 3.100 1.200 1.200 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.708 ppm2 2.931 CV 1 OR { 2458} (( segid "A " and resid 28 and name HB2 )) (( segid "A " and resid 28 and name HE3 )) OR { 2458} (( segid "A " and resid 28 and name HB3 )) (( segid "A " and resid 28 and name HE2 )) ASSI { 2458} (( segid "B " and resid 28 and name HB3 )) (( segid "B " and resid 28 and name HE3 )) 3.100 1.200 1.200 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.13267E-02 ppm1 1.708 ppm2 2.931 CV 1 OR { 2458} (( segid "B " and resid 28 and name HB2 )) (( segid "B " and resid 28 and name HE3 )) OR { 2458} (( segid "B " and resid 28 and name HB3 )) (( segid "B " and resid 28 and name HE2 )) ASSI { 2461} (( segid "A " and resid 28 and name HB3 )) (( segid "A " and resid 28 and name HA )) 2.700 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 1.720 ppm2 3.752 CV 1 OR { 2461} (( segid "A " and resid 28 and name HB2 )) (( segid "A " and resid 28 and name HA )) ASSI { 2461} (( segid "B " and resid 28 and name HB3 )) (( segid "B " and resid 28 and name HA )) 2.700 0.900 0.900 peak 2461 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 1.720 ppm2 3.752 CV 1 OR { 2461} (( segid "B " and resid 28 and name HB2 )) (( segid "B " and resid 28 and name HA )) ASSI { 2464} (( segid "A " and resid 28 and name HB2 )) (( segid "A " and resid 28 and name HG2 )) 2.700 0.900 0.900 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.36478E-02 ppm1 1.708 ppm2 1.251 CV 1 OR { 2464} (( segid "A " and resid 28 and name HB3 )) (( segid "A " and resid 28 and name HG2 )) ASSI { 2464} (( segid "B " and resid 28 and name HB2 )) (( segid "B " and resid 28 and name HG2 )) 2.700 0.900 0.900 peak 2464 spectrum 1 weight 0.10000E+01 volume 0.36478E-02 ppm1 1.708 ppm2 1.251 CV 1 OR { 2464} (( segid "B " and resid 28 and name HB3 )) (( segid "B " and resid 28 and name HG2 )) ASSI { 2465} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HB3 )) 1.900 0.400 0.400 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.10658E-01 ppm1 1.975 ppm2 2.345 CV 1 ASSI { 2465} (( segid "B " and resid 38 and name HB2 )) (( segid "B " and resid 38 and name HB3 )) 1.900 0.400 0.400 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.10658E-01 ppm1 1.975 ppm2 2.345 CV 1 ASSI { 2467} (( segid "A " and resid 15 and name HB )) (( segid "A " and resid 12 and name HA )) 2.700 0.900 0.900 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 1.720 ppm2 3.439 CV 1 ASSI { 2467} (( segid "B " and resid 15 and name HB )) (( segid "B " and resid 12 and name HA )) 2.700 0.900 0.900 peak 2467 spectrum 1 weight 0.10000E+01 volume 0.18336E-02 ppm1 1.720 ppm2 3.439 CV 1 ASSI { 2468} (( segid "A " and resid 76 and name HB3 )) (( segid "A " and resid 76 and name HG3 )) 2.400 0.700 0.700 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.39189E-02 ppm1 2.115 ppm2 1.446 CV 1 ASSI { 2468} (( segid "B " and resid 76 and name HB3 )) (( segid "B " and resid 76 and name HG3 )) 2.400 0.700 0.700 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.39189E-02 ppm1 2.115 ppm2 1.446 CV 1 ASSI { 2469} (( segid "A " and resid 3 and name HG2 )) (( segid "B " and resid 81 and name HD2 )) 4.500 2.500 1.500 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.66531E-03 ppm1 2.356 ppm2 3.712 CV 1 OR { 2469} (( segid "A " and resid 3 and name HG3 )) (( segid "B " and resid 81 and name HD2 )) ASSI { 2469} (( segid "B " and resid 3 and name HG2 )) (( segid "A " and resid 81 and name HD2 )) 4.500 2.500 1.500 peak 2469 spectrum 1 weight 0.10000E+01 volume 0.66531E-03 ppm1 2.356 ppm2 3.712 CV 1 OR { 2469} (( segid "B " and resid 3 and name HG3 )) (( segid "A " and resid 81 and name HD2 )) ASSI { 2471} (( segid "A " and resid 23 and name HB )) ( segid "A " and resid 111 and name HE% ) 3.900 1.900 1.900 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.69382E-03 ppm1 2.038 ppm2 6.721 CV 1 ASSI { 2471} (( segid "B " and resid 23 and name HB )) ( segid "B " and resid 111 and name HE% ) 3.900 1.900 1.900 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.69382E-03 ppm1 2.038 ppm2 6.721 CV 1 ASSI { 2479} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HD3 )) 4.000 2.000 2.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.975 ppm2 3.830 CV 1 ASSI { 2479} (( segid "B " and resid 38 and name HB2 )) (( segid "B " and resid 38 and name HD3 )) 4.000 2.000 2.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.975 ppm2 3.830 CV 1 ASSI { 2480} (( segid "A " and resid 3 and name HG2 )) (( segid "B " and resid 81 and name HD3 )) 3.800 1.800 1.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.97577E-03 ppm1 2.382 ppm2 4.103 CV 1 OR { 2480} (( segid "A " and resid 3 and name HG3 )) (( segid "B " and resid 81 and name HD3 )) ASSI { 2480} (( segid "B " and resid 3 and name HG2 )) (( segid "A " and resid 81 and name HD3 )) 3.800 1.800 1.800 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.97577E-03 ppm1 2.382 ppm2 4.103 CV 1 OR { 2480} (( segid "B " and resid 3 and name HG3 )) (( segid "A " and resid 81 and name HD3 )) ASSI { 2482} (( segid "A " and resid 38 and name HB2 )) (( segid "A " and resid 38 and name HA )) 2.700 0.900 0.900 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.37751E-02 ppm1 1.988 ppm2 4.650 CV 1 ASSI { 2497} (( segid "A " and resid 54 and name HG3 )) (( segid "A " and resid 54 and name HA )) 3.800 1.800 1.800 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.14623E-02 ppm1 2.776 ppm2 4.689 CV 1 ASSI { 2497} (( segid "B " and resid 54 and name HG3 )) (( segid "B " and resid 54 and name HA )) 3.800 1.800 1.800 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.14623E-02 ppm1 2.776 ppm2 4.689 CV 1 ASSI { 2506} (( segid "A " and resid 54 and name HG3 )) (( segid "A " and resid 54 and name HG2 )) 2.000 0.500 0.500 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.65629E-02 ppm1 2.789 ppm2 2.540 CV 1 ASSI { 2506} (( segid "B " and resid 54 and name HG3 )) (( segid "B " and resid 54 and name HG2 )) 2.000 0.500 0.500 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.65629E-02 ppm1 2.789 ppm2 2.540 CV 1 ASSI { 2510} (( segid "A " and resid 60 and name HB3 )) (( segid "A " and resid 60 and name HA )) 2.200 0.600 0.600 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.11067E-01 ppm1 1.810 ppm2 4.064 CV 1 OR { 2510} (( segid "A " and resid 60 and name HB2 )) (( segid "A " and resid 60 and name HA )) ASSI { 2510} (( segid "B " and resid 60 and name HB3 )) (( segid "B " and resid 60 and name HA )) 2.200 0.600 0.600 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.11067E-01 ppm1 1.810 ppm2 4.064 CV 1 OR { 2510} (( segid "B " and resid 60 and name HB2 )) (( segid "B " and resid 60 and name HA )) ASSI { 2511} (( segid "A " and resid 119 and name HB2 )) (( segid "A " and resid 122 and name HN )) 4.300 2.300 1.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.82119E-03 ppm1 1.810 ppm2 7.815 CV 1 ASSI { 2511} (( segid "B " and resid 119 and name HB2 )) (( segid "B " and resid 122 and name HN )) 4.300 2.300 1.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.82119E-03 ppm1 1.810 ppm2 7.815 CV 1 ASSI { 2512} (( segid "A " and resid 87 and name HB )) (( segid "A " and resid 87 and name HA )) 2.800 1.000 1.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 1.835 ppm2 4.924 CV 1 ASSI { 2512} (( segid "B " and resid 87 and name HB )) (( segid "B " and resid 87 and name HA )) 2.800 1.000 1.000 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.14651E-02 ppm1 1.835 ppm2 4.924 CV 1 ASSI { 2515} (( segid "A " and resid 54 and name HG3 )) (( segid "A " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 2.789 ppm2 1.954 CV 1 ASSI { 2515} (( segid "B " and resid 54 and name HG3 )) (( segid "B " and resid 54 and name HB2 )) 2.700 0.900 0.900 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.17538E-02 ppm1 2.789 ppm2 1.954 CV 1 ASSI { 2530} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 56 and name HG2 )) 2.900 1.000 1.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.14790E-02 ppm1 1.199 ppm2 0.938 CV 1 ASSI { 2530} (( segid "B " and resid 56 and name HB2 )) (( segid "B " and resid 56 and name HG2 )) 2.900 1.000 1.000 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.14790E-02 ppm1 1.199 ppm2 0.938 CV 1 ASSI { 2531} (( segid "A " and resid 56 and name HB2 )) (( segid "A " and resid 56 and name HA )) 3.600 1.600 1.600 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.64571E-03 ppm1 1.186 ppm2 4.494 CV 1 ASSI { 2531} (( segid "B " and resid 56 and name HB2 )) (( segid "B " and resid 56 and name HA )) 3.600 1.600 1.600 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.64571E-03 ppm1 1.186 ppm2 4.494 CV 1 ASSI { 2533} (( segid "A " and resid 14 and name HG3 )) (( segid "A " and resid 14 and name HG2 )) 1.800 0.400 0.400 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.68778E-02 ppm1 2.852 ppm2 2.306 CV 1 ASSI { 2533} (( segid "B " and resid 14 and name HG3 )) (( segid "B " and resid 14 and name HG2 )) 1.800 0.400 0.400 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.68778E-02 ppm1 2.852 ppm2 2.306 CV 1 ASSI { 2534} (( segid "A " and resid 14 and name HG3 )) (( segid "A " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 2.852 ppm2 1.993 CV 1 ASSI { 2534} (( segid "B " and resid 14 and name HG3 )) (( segid "B " and resid 14 and name HB2 )) 2.500 0.800 0.800 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.16257E-02 ppm1 2.852 ppm2 1.993 CV 1 ASSI { 2535} (( segid "A " and resid 14 and name HG2 )) (( segid "A " and resid 14 and name HA )) 2.600 0.800 0.800 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.25578E-02 ppm1 2.293 ppm2 4.025 CV 1 ASSI { 2535} (( segid "B " and resid 14 and name HG2 )) (( segid "B " and resid 14 and name HA )) 2.600 0.800 0.800 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.25578E-02 ppm1 2.293 ppm2 4.025 CV 1 ASSI { 2541} (( segid "A " and resid 14 and name HG2 )) (( segid "A " and resid 14 and name HB2 )) 3.100 1.200 1.200 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.22013E-02 ppm1 2.293 ppm2 1.993 CV 1 ASSI { 2541} (( segid "B " and resid 14 and name HG2 )) (( segid "B " and resid 14 and name HB2 )) 3.100 1.200 1.200 peak 2541 spectrum 1 weight 0.10000E+01 volume 0.22013E-02 ppm1 2.293 ppm2 1.993 CV 1 ASSI { 2543} (( segid "A " and resid 14 and name HG3 )) (( segid "A " and resid 14 and name HB3 )) 3.000 1.100 1.100 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 2.865 ppm2 2.462 CV 1 ASSI { 2543} (( segid "B " and resid 14 and name HG3 )) (( segid "B " and resid 14 and name HB3 )) 3.000 1.100 1.100 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.24742E-02 ppm1 2.865 ppm2 2.462 CV 1 ASSI { 2550} (( segid "A " and resid 108 and name HB2 )) (( segid "A " and resid 108 and name HG3 )) 2.100 0.500 0.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.72945E-02 ppm1 1.822 ppm2 1.602 CV 1 OR { 2550} (( segid "A " and resid 108 and name HB3 )) (( segid "A " and resid 108 and name HG3 )) ASSI { 2550} (( segid "B " and resid 108 and name HB2 )) (( segid "B " and resid 108 and name HG3 )) 2.100 0.500 0.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.72945E-02 ppm1 1.822 ppm2 1.602 CV 1 OR { 2550} (( segid "B " and resid 108 and name HB3 )) (( segid "B " and resid 108 and name HG3 )) ASSI { 2551} (( segid "A " and resid 108 and name HB3 )) (( segid "A " and resid 108 and name HG2 )) 2.600 0.800 0.800 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.39151E-02 ppm1 1.810 ppm2 1.407 CV 1 OR { 2551} (( segid "A " and resid 108 and name HB2 )) (( segid "A " and resid 108 and name HG2 )) ASSI { 2551} (( segid "B " and resid 108 and name HB3 )) (( segid "B " and resid 108 and name HG2 )) 2.600 0.800 0.800 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.39151E-02 ppm1 1.810 ppm2 1.407 CV 1 OR { 2551} (( segid "B " and resid 108 and name HB2 )) (( segid "B " and resid 108 and name HG2 )) ASSI { 2581} (( segid "A " and resid 63 and name HB2 )) (( segid "A " and resid 63 and name HA )) 3.200 1.300 1.300 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 1.339 ppm2 4.260 CV 1 ASSI { 2581} (( segid "B " and resid 63 and name HB2 )) (( segid "B " and resid 63 and name HA )) 3.200 1.300 1.300 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.17677E-02 ppm1 1.339 ppm2 4.260 CV 1 ASSI { 2582} (( segid "A " and resid 63 and name HB3 )) (( segid "A " and resid 63 and name HA )) 2.700 0.900 0.900 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 1.403 ppm2 4.260 CV 1 ASSI { 2582} (( segid "B " and resid 63 and name HB3 )) (( segid "B " and resid 63 and name HA )) 2.700 0.900 0.900 peak 2582 spectrum 1 weight 0.10000E+01 volume 0.16080E-02 ppm1 1.403 ppm2 4.260 CV 1 ASSI { 2593} (( segid "A " and resid 63 and name HB2 )) (( segid "A " and resid 63 and name HN )) 3.400 1.400 1.400 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.98690E-03 ppm1 1.326 ppm2 8.480 CV 1 ASSI { 2593} (( segid "B " and resid 63 and name HB2 )) (( segid "B " and resid 63 and name HN )) 3.400 1.400 1.400 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.98690E-03 ppm1 1.326 ppm2 8.480 CV 1 ASSI { 2600} (( segid "A " and resid 61 and name HB3 )) (( segid "A " and resid 41 and name HA )) 4.100 2.100 1.900 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 3.170 ppm2 4.220 CV 1 ASSI { 2600} (( segid "B " and resid 61 and name HB3 )) (( segid "B " and resid 41 and name HA )) 4.100 2.100 1.900 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.19488E-02 ppm1 3.170 ppm2 4.220 CV 1 ASSI { 2602} (( segid "A " and resid 61 and name HB2 )) ( segid "A " and resid 41 and name HG2%) 2.700 0.900 0.900 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 2.751 ppm2 0.821 CV 1 ASSI { 2602} (( segid "B " and resid 61 and name HB2 )) ( segid "B " and resid 41 and name HG2%) 2.700 0.900 0.900 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.12673E-02 ppm1 2.751 ppm2 0.821 CV 1 ASSI { 2603} (( segid "A " and resid 61 and name HB3 )) (( segid "A " and resid 61 and name HB2 )) 1.700 0.400 0.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.11717E-01 ppm1 3.170 ppm2 2.775 CV 1 ASSI { 2603} (( segid "B " and resid 61 and name HB3 )) (( segid "B " and resid 61 and name HB2 )) 1.700 0.400 0.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.11717E-01 ppm1 3.170 ppm2 2.775 CV 1 ASSI { 2605} (( segid "A " and resid 61 and name HB3 )) ( segid "A " and resid 41 and name HG2%) 3.500 1.500 1.500 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.12970E-02 ppm1 3.170 ppm2 0.782 CV 1 ASSI { 2605} (( segid "B " and resid 61 and name HB3 )) ( segid "B " and resid 41 and name HG2%) 3.500 1.500 1.500 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.12970E-02 ppm1 3.170 ppm2 0.782 CV 1 ASSI { 2606} (( segid "A " and resid 61 and name HB3 )) (( segid "A " and resid 42 and name HN )) 4.800 2.800 1.200 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 3.183 ppm2 8.480 CV 1 ASSI { 2606} (( segid "B " and resid 61 and name HB3 )) (( segid "B " and resid 42 and name HN )) 4.800 2.800 1.200 peak 2606 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 3.183 ppm2 8.480 CV 1 ASSI { 2607} (( segid "A " and resid 61 and name HB2 )) (( segid "A " and resid 42 and name HN )) 3.900 1.900 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.92471E-03 ppm1 2.738 ppm2 8.480 CV 1 ASSI { 2607} (( segid "B " and resid 61 and name HB2 )) (( segid "B " and resid 42 and name HN )) 3.900 1.900 1.900 peak 2607 spectrum 1 weight 0.10000E+01 volume 0.92471E-03 ppm1 2.738 ppm2 8.480 CV 1 ASSI { 2608} (( segid "A " and resid 61 and name HB2 )) (( segid "A " and resid 41 and name HA )) 2.600 0.900 0.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 2.751 ppm2 4.220 CV 1 ASSI { 2608} (( segid "B " and resid 61 and name HB2 )) (( segid "B " and resid 41 and name HA )) 2.600 0.900 0.900 peak 2608 spectrum 1 weight 0.10000E+01 volume 0.19822E-02 ppm1 2.751 ppm2 4.220 CV 1 ASSI { 2628} (( segid "A " and resid 58 and name HB3 )) (( segid "A " and resid 126 and name HB2 )) 2.400 0.700 0.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.74153E-03 ppm1 2.776 ppm2 2.228 CV 1 ASSI { 2628} (( segid "B " and resid 58 and name HB3 )) (( segid "B " and resid 126 and name HB2 )) 2.400 0.700 0.700 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.74153E-03 ppm1 2.776 ppm2 2.228 CV 1 ASSI { 2634} (( segid "A " and resid 58 and name HB2 )) (( segid "A " and resid 58 and name HB3 )) 2.200 0.600 0.600 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 1.746 ppm2 2.775 CV 1 ASSI { 2634} (( segid "B " and resid 58 and name HB2 )) (( segid "B " and resid 58 and name HB3 )) 2.200 0.600 0.600 peak 2634 spectrum 1 weight 0.10000E+01 volume 0.17426E-02 ppm1 1.746 ppm2 2.775 CV 1 ASSI { 2635} (( segid "A " and resid 58 and name HB3 )) ( segid "A " and resid 128 and name HD1%) 4.400 2.400 1.600 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.776 ppm2 0.665 CV 1 ASSI { 2635} (( segid "B " and resid 58 and name HB3 )) ( segid "B " and resid 128 and name HD1%) 4.400 2.400 1.600 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.776 ppm2 0.665 CV 1 ASSI { 2637} (( segid "A " and resid 129 and name HB3 )) (( segid "A " and resid 55 and name HA1 )) 3.300 1.400 1.400 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.776 ppm2 3.752 CV 1 ASSI { 2637} (( segid "B " and resid 129 and name HB3 )) (( segid "B " and resid 55 and name HA1 )) 3.300 1.400 1.400 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 2.776 ppm2 3.752 CV 1 ASSI { 2641} (( segid "A " and resid 74 and name HB2 )) ( segid "A " and resid 74 and name HD1%) 3.200 1.200 1.200 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.71137E-03 ppm1 0.550 ppm2 -0.078 CV 1 ASSI { 2641} (( segid "B " and resid 74 and name HB2 )) ( segid "B " and resid 74 and name HD1%) 3.200 1.200 1.200 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.71137E-03 ppm1 0.550 ppm2 -0.078 CV 1 ASSI { 2643} (( segid "A " and resid 74 and name HB2 )) ( segid "A " and resid 74 and name HD2%) 3.300 1.300 1.300 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.78071E-03 ppm1 0.550 ppm2 0.157 CV 1 ASSI { 2643} (( segid "B " and resid 74 and name HB2 )) ( segid "B " and resid 74 and name HD2%) 3.300 1.300 1.300 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.78071E-03 ppm1 0.550 ppm2 0.157 CV 1 ASSI { 2648} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HB3 )) 2.500 0.800 0.800 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 0.525 ppm2 1.642 CV 1 ASSI { 2648} (( segid "B " and resid 74 and name HB2 )) (( segid "B " and resid 74 and name HB3 )) 2.500 0.800 0.800 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.11410E-02 ppm1 0.525 ppm2 1.642 CV 1 ASSI { 2650} (( segid "A " and resid 110 and name HB )) ( segid "A " and resid 110 and name HG2%) 2.300 0.700 0.700 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.55844E-02 ppm1 1.631 ppm2 0.782 CV 1 OR { 2650} (( segid "A " and resid 110 and name HB )) ( segid "A " and resid 110 and name HD1%) ASSI { 2650} (( segid "B " and resid 110 and name HB )) ( segid "B " and resid 110 and name HG2%) 2.300 0.700 0.700 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.55844E-02 ppm1 1.631 ppm2 0.782 CV 1 OR { 2650} (( segid "B " and resid 110 and name HB )) ( segid "B " and resid 110 and name HD1%) ASSI { 2677} (( segid "A " and resid 121 and name HB2 )) (( segid "A " and resid 121 and name HA )) 3.500 1.500 1.500 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.89091E-03 ppm1 1.479 ppm2 4.260 CV 1 ASSI { 2677} (( segid "B " and resid 121 and name HB2 )) (( segid "B " and resid 121 and name HA )) 3.500 1.500 1.500 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.89091E-03 ppm1 1.479 ppm2 4.260 CV 1 ASSI { 2681} (( segid "A " and resid 51 and name HB2 )) ( segid "A " and resid 51 and name HD2%) 3.200 1.300 1.300 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.12450E-02 ppm1 1.288 ppm2 0.235 CV 1 ASSI { 2681} (( segid "B " and resid 51 and name HB2 )) ( segid "B " and resid 51 and name HD2%) 3.200 1.300 1.300 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.12450E-02 ppm1 1.288 ppm2 0.235 CV 1 ASSI { 2691} (( segid "A " and resid 51 and name HB3 )) (( segid "A " and resid 51 and name HB2 )) 2.200 0.600 0.600 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.33925E-02 ppm1 1.479 ppm2 1.290 CV 1 OR { 2691} (( segid "A " and resid 51 and name HB3 )) (( segid "A " and resid 51 and name HG )) ASSI { 2691} (( segid "B " and resid 51 and name HB3 )) (( segid "B " and resid 51 and name HB2 )) 2.200 0.600 0.600 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.33925E-02 ppm1 1.479 ppm2 1.290 CV 1 OR { 2691} (( segid "B " and resid 51 and name HB3 )) (( segid "B " and resid 51 and name HG )) ASSI { 2692} (( segid "A " and resid 51 and name HB2 )) (( segid "A " and resid 51 and name HB3 )) 2.200 0.600 0.600 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.24278E-02 ppm1 1.288 ppm2 1.485 CV 1 ASSI { 2692} (( segid "B " and resid 51 and name HB2 )) (( segid "B " and resid 51 and name HB3 )) 2.200 0.600 0.600 peak 2692 spectrum 1 weight 0.10000E+01 volume 0.24278E-02 ppm1 1.288 ppm2 1.485 CV 1 ASSI { 2694} (( segid "A " and resid 33 and name HB3 )) (( segid "A " and resid 33 and name HA )) 3.000 1.100 1.100 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.88190E-03 ppm1 1.759 ppm2 3.908 CV 1 ASSI { 2694} (( segid "B " and resid 33 and name HB3 )) (( segid "B " and resid 33 and name HA )) 3.000 1.100 1.100 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.88190E-03 ppm1 1.759 ppm2 3.908 CV 1 ASSI { 2696} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HA )) 3.000 1.100 1.100 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 1.415 ppm2 3.908 CV 1 ASSI { 2696} (( segid "B " and resid 33 and name HB2 )) (( segid "B " and resid 33 and name HA )) 3.000 1.100 1.100 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.13360E-02 ppm1 1.415 ppm2 3.908 CV 1 ASSI { 2701} (( segid "A " and resid 33 and name HB2 )) (( segid "A " and resid 33 and name HB3 )) 2.100 0.600 0.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.20982E-02 ppm1 1.441 ppm2 1.759 CV 1 ASSI { 2701} (( segid "B " and resid 33 and name HB2 )) (( segid "B " and resid 33 and name HB3 )) 2.100 0.600 0.600 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.20982E-02 ppm1 1.441 ppm2 1.759 CV 1 ASSI { 2702} (( segid "A " and resid 33 and name HB3 )) ( segid "A " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 1.720 ppm2 0.782 CV 1 ASSI { 2702} (( segid "B " and resid 33 and name HB3 )) ( segid "B " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 1.720 ppm2 0.782 CV 1 ASSI { 2706} (( segid "A " and resid 33 and name HB3 )) ( segid "A " and resid 33 and name HD1%) 4.200 2.200 1.800 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.83289E-03 ppm1 1.720 ppm2 0.587 CV 1 ASSI { 2706} (( segid "B " and resid 33 and name HB3 )) ( segid "B " and resid 33 and name HD1%) 4.200 2.200 1.800 peak 2706 spectrum 1 weight 0.10000E+01 volume 0.83289E-03 ppm1 1.720 ppm2 0.587 CV 1 ASSI { 2707} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 103 and name HG2 )) 2.600 0.900 0.900 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.50656E-02 ppm1 3.361 ppm2 1.720 CV 1 ASSI { 2707} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 103 and name HG2 )) 2.600 0.900 0.900 peak 2707 spectrum 1 weight 0.10000E+01 volume 0.50656E-02 ppm1 3.361 ppm2 1.720 CV 1 ASSI { 2708} (( segid "A " and resid 103 and name HD2 )) (( segid "A " and resid 100 and name HA )) 3.100 1.200 1.200 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.91014E-03 ppm1 3.285 ppm2 4.103 CV 1 ASSI { 2708} (( segid "B " and resid 103 and name HD2 )) (( segid "B " and resid 100 and name HA )) 3.100 1.200 1.200 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.91014E-03 ppm1 3.285 ppm2 4.103 CV 1 ASSI { 2710} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 103 and name HG3 )) 2.100 0.500 0.500 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.53569E-02 ppm1 3.361 ppm2 1.915 CV 1 ASSI { 2710} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 103 and name HG3 )) 2.100 0.500 0.500 peak 2710 spectrum 1 weight 0.10000E+01 volume 0.53569E-02 ppm1 3.361 ppm2 1.915 CV 1 ASSI { 2711} (( segid "A " and resid 103 and name HD2 )) (( segid "A " and resid 103 and name HG2 )) 2.100 0.500 0.500 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.54609E-02 ppm1 3.272 ppm2 1.720 CV 1 ASSI { 2711} (( segid "B " and resid 103 and name HD2 )) (( segid "B " and resid 103 and name HG2 )) 2.100 0.500 0.500 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.54609E-02 ppm1 3.272 ppm2 1.720 CV 1 ASSI { 2712} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 103 and name HD2 )) 1.300 0.200 0.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.52510E-01 ppm1 3.348 ppm2 3.283 CV 1 ASSI { 2712} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 103 and name HD2 )) 1.300 0.200 0.900 peak 2712 spectrum 1 weight 0.10000E+01 volume 0.52510E-01 ppm1 3.348 ppm2 3.283 CV 1 ASSI { 2716} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 103 and name HA )) 3.800 1.800 1.800 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.15755E-02 ppm1 3.361 ppm2 4.572 CV 1 ASSI { 2716} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 103 and name HA )) 3.800 1.800 1.800 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.15755E-02 ppm1 3.361 ppm2 4.572 CV 1 ASSI { 2717} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 100 and name HA )) 3.900 1.900 1.900 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.81607E-03 ppm1 3.361 ppm2 4.064 CV 1 ASSI { 2717} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 100 and name HA )) 3.900 1.900 1.900 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.81607E-03 ppm1 3.361 ppm2 4.064 CV 1 ASSI { 2722} (( segid "A " and resid 103 and name HD3 )) (( segid "A " and resid 103 and name HB3 )) 3.200 1.300 1.300 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 3.361 ppm2 2.110 CV 1 ASSI { 2722} (( segid "B " and resid 103 and name HD3 )) (( segid "B " and resid 103 and name HB3 )) 3.200 1.300 1.300 peak 2722 spectrum 1 weight 0.10000E+01 volume 0.31547E-02 ppm1 3.361 ppm2 2.110 CV 1 ASSI { 2723} (( segid "A " and resid 103 and name HD3 )) ( segid "A " and resid 110 and name HD1%) 3.900 1.900 1.900 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 3.361 ppm2 0.743 CV 1 ASSI { 2723} (( segid "B " and resid 103 and name HD3 )) ( segid "B " and resid 110 and name HD1%) 3.900 1.900 1.900 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.19701E-02 ppm1 3.361 ppm2 0.743 CV 1 ASSI { 2727} (( segid "A " and resid 130 and name HD3 )) (( segid "A " and resid 130 and name HG2 )) 2.300 0.700 0.700 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.89909E-02 ppm1 3.132 ppm2 1.446 CV 1 OR { 2727} (( segid "A " and resid 130 and name HD3 )) (( segid "A " and resid 130 and name HG3 )) ASSI { 2727} (( segid "B " and resid 130 and name HD3 )) (( segid "B " and resid 130 and name HG2 )) 2.300 0.700 0.700 peak 2727 spectrum 1 weight 0.10000E+01 volume 0.89909E-02 ppm1 3.132 ppm2 1.446 CV 1 OR { 2727} (( segid "B " and resid 130 and name HD3 )) (( segid "B " and resid 130 and name HG3 )) ASSI { 2729} (( segid "A " and resid 130 and name HD2 )) (( segid "A " and resid 130 and name HG3 )) 2.200 0.600 0.600 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.88488E-02 ppm1 3.043 ppm2 1.446 CV 1 OR { 2729} (( segid "A " and resid 130 and name HD2 )) (( segid "A " and resid 130 and name HG2 )) ASSI { 2729} (( segid "B " and resid 130 and name HD2 )) (( segid "B " and resid 130 and name HG3 )) 2.200 0.600 0.600 peak 2729 spectrum 1 weight 0.10000E+01 volume 0.88488E-02 ppm1 3.043 ppm2 1.446 CV 1 OR { 2729} (( segid "B " and resid 130 and name HD2 )) (( segid "B " and resid 130 and name HG2 )) ASSI { 2732} (( segid "A " and resid 130 and name HD3 )) (( segid "A " and resid 130 and name HB2 )) 3.100 1.200 1.200 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.36172E-02 ppm1 3.132 ppm2 1.602 CV 1 ASSI { 2732} (( segid "B " and resid 130 and name HD3 )) (( segid "B " and resid 130 and name HB2 )) 3.100 1.200 1.200 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.36172E-02 ppm1 3.132 ppm2 1.602 CV 1 ASSI { 2733} (( segid "A " and resid 130 and name HD2 )) (( segid "A " and resid 130 and name HA )) 4.000 2.000 2.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 3.069 ppm2 4.181 CV 1 ASSI { 2733} (( segid "B " and resid 130 and name HD2 )) (( segid "B " and resid 130 and name HA )) 4.000 2.000 2.000 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.16154E-02 ppm1 3.069 ppm2 4.181 CV 1 ASSI { 2735} (( segid "A " and resid 130 and name HD2 )) (( segid "A " and resid 130 and name HB3 )) 3.000 1.100 1.100 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.39467E-02 ppm1 3.043 ppm2 1.759 CV 1 ASSI { 2735} (( segid "B " and resid 130 and name HD2 )) (( segid "B " and resid 130 and name HB3 )) 3.000 1.100 1.100 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.39467E-02 ppm1 3.043 ppm2 1.759 CV 1 ASSI { 2737} (( segid "A " and resid 130 and name HD3 )) (( segid "A " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 3.132 ppm2 1.759 CV 1 ASSI { 2737} (( segid "B " and resid 130 and name HD3 )) (( segid "B " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.35920E-02 ppm1 3.132 ppm2 1.759 CV 1 ASSI { 2740} (( segid "A " and resid 130 and name HD2 )) (( segid "A " and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.34434E-02 ppm1 3.056 ppm2 1.642 CV 1 ASSI { 2740} (( segid "B " and resid 130 and name HD2 )) (( segid "B " and resid 130 and name HB2 )) 2.700 0.900 0.900 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.34434E-02 ppm1 3.056 ppm2 1.642 CV 1 ASSI { 2743} (( segid "A " and resid 55 and name HA2 )) (( segid "A " and resid 55 and name HA1 )) 2.100 0.600 0.600 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 4.315 ppm2 3.752 CV 1 ASSI { 2743} (( segid "B " and resid 55 and name HA2 )) (( segid "B " and resid 55 and name HA1 )) 2.100 0.600 0.600 peak 2743 spectrum 1 weight 0.10000E+01 volume 0.42725E-02 ppm1 4.315 ppm2 3.752 CV 1 ASSI { 2746} (( segid "A " and resid 55 and name HA1 )) (( segid "A " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.76409E-03 ppm1 3.743 ppm2 2.697 CV 1 ASSI { 2746} (( segid "B " and resid 55 and name HA1 )) (( segid "B " and resid 129 and name HB2 )) 4.300 2.300 1.700 peak 2746 spectrum 1 weight 0.10000E+01 volume 0.76409E-03 ppm1 3.743 ppm2 2.697 CV 1 ASSI { 2755} (( segid "A " and resid 128 and name HB2 )) (( segid "A " and resid 128 and name HA )) 3.000 1.100 1.100 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 1.301 ppm2 4.650 CV 1 ASSI { 2755} (( segid "B " and resid 128 and name HB2 )) (( segid "B " and resid 128 and name HA )) 3.000 1.100 1.100 peak 2755 spectrum 1 weight 0.10000E+01 volume 0.17946E-02 ppm1 1.301 ppm2 4.650 CV 1 ASSI { 2756} (( segid "A " and resid 128 and name HB3 )) ( segid "A " and resid 128 and name HD1%) 2.800 1.000 1.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.43654E-02 ppm1 1.352 ppm2 0.665 CV 1 ASSI { 2756} (( segid "B " and resid 128 and name HB3 )) ( segid "B " and resid 128 and name HD1%) 2.800 1.000 1.000 peak 2756 spectrum 1 weight 0.10000E+01 volume 0.43654E-02 ppm1 1.352 ppm2 0.665 CV 1 ASSI { 2757} (( segid "A " and resid 106 and name HA2 )) (( segid "A " and resid 106 and name HA1 )) 2.300 0.600 0.600 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.39865E-02 ppm1 4.366 ppm2 3.673 CV 1 ASSI { 2757} (( segid "B " and resid 106 and name HA2 )) (( segid "B " and resid 106 and name HA1 )) 2.300 0.600 0.600 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.39865E-02 ppm1 4.366 ppm2 3.673 CV 1 ASSI { 2773} (( segid "A " and resid 115 and name HA2 )) (( segid "A " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.77394E-03 ppm1 4.061 ppm2 1.798 CV 1 ASSI { 2773} (( segid "B " and resid 115 and name HA2 )) (( segid "B " and resid 119 and name HB2 )) 3.300 1.300 1.300 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.77394E-03 ppm1 4.061 ppm2 1.798 CV 1 ASSI { 2806} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 81 and name HB3 )) 4.000 2.000 2.000 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 5.002 ppm2 1.720 CV 1 ASSI { 2806} (( segid "B " and resid 80 and name HA )) (( segid "B " and resid 81 and name HB3 )) 4.000 2.000 2.000 peak 2806 spectrum 1 weight 0.10000E+01 volume 0.10528E-02 ppm1 5.002 ppm2 1.720 CV 1 ASSI { 2810} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 81 and name HD2 )) 3.100 1.200 1.200 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.12905E-02 ppm1 5.002 ppm2 3.712 CV 1 ASSI { 2810} (( segid "B " and resid 80 and name HA )) (( segid "B " and resid 81 and name HD2 )) 3.100 1.200 1.200 peak 2810 spectrum 1 weight 0.10000E+01 volume 0.12905E-02 ppm1 5.002 ppm2 3.712 CV 1 ASSI { 2811} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 81 and name HD3 )) 2.600 0.900 0.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 4.989 ppm2 4.103 CV 1 ASSI { 2811} (( segid "B " and resid 80 and name HA )) (( segid "B " and resid 81 and name HD3 )) 2.600 0.900 0.900 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.16814E-02 ppm1 4.989 ppm2 4.103 CV 1 ASSI { 2814} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 80 and name HB2 )) 3.200 1.300 1.300 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 4.989 ppm2 2.618 CV 1 ASSI { 2814} (( segid "B " and resid 80 and name HA )) (( segid "B " and resid 80 and name HB2 )) 3.200 1.300 1.300 peak 2814 spectrum 1 weight 0.10000E+01 volume 0.13954E-02 ppm1 4.989 ppm2 2.618 CV 1 ASSI { 2815} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 80 and name HB3 )) 3.100 1.200 1.200 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.98414E-03 ppm1 4.989 ppm2 2.931 CV 1 ASSI { 2815} (( segid "B " and resid 80 and name HA )) (( segid "B " and resid 80 and name HB3 )) 3.100 1.200 1.200 peak 2815 spectrum 1 weight 0.10000E+01 volume 0.98414E-03 ppm1 4.989 ppm2 2.931 CV 1 ASSI { 2820} (( segid "A " and resid 126 and name HD3 )) ( segid "A " and resid 125 and name HD1%) 5.300 3.500 0.700 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 3.298 ppm2 -0.195 CV 1 ASSI { 2820} (( segid "B " and resid 126 and name HD3 )) ( segid "B " and resid 125 and name HD1%) 5.300 3.500 0.700 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.10194E-02 ppm1 3.298 ppm2 -0.195 CV 1 ASSI { 2821} (( segid "A " and resid 126 and name HD2 )) ( segid "A " and resid 125 and name HD1%) 4.500 2.500 1.500 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.75927E-03 ppm1 2.496 ppm2 -0.195 CV 1 ASSI { 2821} (( segid "B " and resid 126 and name HD2 )) ( segid "B " and resid 125 and name HD1%) 4.500 2.500 1.500 peak 2821 spectrum 1 weight 0.10000E+01 volume 0.75927E-03 ppm1 2.496 ppm2 -0.195 CV 1 ASSI { 2835} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 38 and name HD3 )) 2.600 0.900 0.900 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.42159E-02 ppm1 5.244 ppm2 3.830 CV 1 ASSI { 2835} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 38 and name HD3 )) 2.600 0.900 0.900 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.42159E-02 ppm1 5.244 ppm2 3.830 CV 1 ASSI { 2836} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 38 and name HD2 )) 2.400 0.700 0.700 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 5.244 ppm2 3.556 CV 1 ASSI { 2836} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 38 and name HD2 )) 2.400 0.700 0.700 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.37166E-02 ppm1 5.244 ppm2 3.556 CV 1 ASSI { 2837} (( segid "A " and resid 37 and name HA )) ( segid "A " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.97206E-03 ppm1 5.256 ppm2 0.782 CV 1 ASSI { 2837} (( segid "B " and resid 37 and name HA )) ( segid "B " and resid 40 and name HD1%) 4.300 2.300 1.700 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.97206E-03 ppm1 5.256 ppm2 0.782 CV 1 ASSI { 2838} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 37 and name HB2 )) 3.000 1.200 1.200 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.17046E-02 ppm1 5.231 ppm2 2.618 CV 1 ASSI { 2838} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 37 and name HB2 )) 3.000 1.200 1.200 peak 2838 spectrum 1 weight 0.10000E+01 volume 0.17046E-02 ppm1 5.231 ppm2 2.618 CV 1 ASSI { 2839} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 38 and name HG2 )) 4.100 2.100 1.900 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.23944E-02 ppm1 5.244 ppm2 1.954 CV 1 OR { 2839} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 38 and name HG3 )) ASSI { 2839} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 38 and name HG2 )) 4.100 2.100 1.900 peak 2839 spectrum 1 weight 0.10000E+01 volume 0.23944E-02 ppm1 5.244 ppm2 1.954 CV 1 OR { 2839} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 38 and name HG3 )) ASSI { 2841} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 37 and name HB3 )) 2.800 1.000 1.000 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 5.244 ppm2 2.892 CV 1 ASSI { 2841} (( segid "B " and resid 37 and name HA )) (( segid "B " and resid 37 and name HB3 )) 2.800 1.000 1.000 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 5.244 ppm2 2.892 CV 1 ASSI { 2843} (( segid "A " and resid 84 and name HD2 )) (( segid "A " and resid 84 and name HD3 )) 2.600 0.800 0.800 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 3.348 ppm2 4.142 CV 1 ASSI { 2843} (( segid "B " and resid 84 and name HD2 )) (( segid "B " and resid 84 and name HD3 )) 2.600 0.800 0.800 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 3.348 ppm2 4.142 CV 1 ASSI { 2845} (( segid "A " and resid 38 and name HD3 )) (( segid "A " and resid 38 and name HD2 )) 2.100 0.500 0.500 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.44991E-02 ppm1 3.832 ppm2 3.556 CV 1 ASSI { 2845} (( segid "B " and resid 38 and name HD3 )) (( segid "B " and resid 38 and name HD2 )) 2.100 0.500 0.500 peak 2845 spectrum 1 weight 0.10000E+01 volume 0.44991E-02 ppm1 3.832 ppm2 3.556 CV 1 ASSI { 2847} (( segid "A " and resid 38 and name HD3 )) (( segid "A " and resid 38 and name HB3 )) 3.500 1.500 1.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.77486E-03 ppm1 3.819 ppm2 2.345 CV 1 ASSI { 2847} (( segid "B " and resid 38 and name HD3 )) (( segid "B " and resid 38 and name HB3 )) 3.500 1.500 1.500 peak 2847 spectrum 1 weight 0.10000E+01 volume 0.77486E-03 ppm1 3.819 ppm2 2.345 CV 1 ASSI { 2848} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HG2 )) 2.500 0.800 0.800 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 3.539 ppm2 1.954 CV 1 OR { 2848} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HG3 )) ASSI { 2848} (( segid "B " and resid 38 and name HD2 )) (( segid "B " and resid 38 and name HG2 )) 2.500 0.800 0.800 peak 2848 spectrum 1 weight 0.10000E+01 volume 0.38566E-02 ppm1 3.539 ppm2 1.954 CV 1 OR { 2848} (( segid "B " and resid 38 and name HD2 )) (( segid "B " and resid 38 and name HG3 )) ASSI { 2852} (( segid "A " and resid 38 and name HD3 )) (( segid "A " and resid 38 and name HG3 )) 2.600 0.800 0.800 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.39002E-02 ppm1 3.832 ppm2 1.954 CV 1 OR { 2852} (( segid "A " and resid 38 and name HD3 )) (( segid "A " and resid 38 and name HG2 )) ASSI { 2852} (( segid "B " and resid 38 and name HD3 )) (( segid "B " and resid 38 and name HG3 )) 2.600 0.800 0.800 peak 2852 spectrum 1 weight 0.10000E+01 volume 0.39002E-02 ppm1 3.832 ppm2 1.954 CV 1 OR { 2852} (( segid "B " and resid 38 and name HD3 )) (( segid "B " and resid 38 and name HG2 )) ASSI { 2855} (( segid "A " and resid 38 and name HD2 )) (( segid "A " and resid 38 and name HB3 )) 4.400 2.400 1.600 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.71692E-03 ppm1 3.565 ppm2 2.345 CV 1 ASSI { 2855} (( segid "B " and resid 38 and name HD2 )) (( segid "B " and resid 38 and name HB3 )) 4.400 2.400 1.600 peak 2855 spectrum 1 weight 0.10000E+01 volume 0.71692E-03 ppm1 3.565 ppm2 2.345 CV 1 ASSI { 2860} (( segid "A " and resid 112 and name HA )) (( segid "A " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.10018E-02 ppm1 5.383 ppm2 2.657 CV 1 ASSI { 2860} (( segid "B " and resid 112 and name HA )) (( segid "B " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 2860 spectrum 1 weight 0.10000E+01 volume 0.10018E-02 ppm1 5.383 ppm2 2.657 CV 1 ASSI { 2866} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 61 and name HB3 )) 2.400 0.700 0.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.48649E-02 ppm1 4.926 ppm2 3.205 CV 1 ASSI { 2866} (( segid "B " and resid 61 and name HA )) (( segid "B " and resid 61 and name HB3 )) 2.400 0.700 0.700 peak 2866 spectrum 1 weight 0.10000E+01 volume 0.48649E-02 ppm1 4.926 ppm2 3.205 CV 1 ASSI { 2867} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 61 and name HB2 )) 2.600 0.900 0.900 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.66791E-02 ppm1 4.926 ppm2 2.775 CV 1 ASSI { 2867} (( segid "B " and resid 61 and name HA )) (( segid "B " and resid 61 and name HB2 )) 2.600 0.900 0.900 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.66791E-02 ppm1 4.926 ppm2 2.775 CV 1 ASSI { 2876} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HB3 )) 3.200 1.300 1.300 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.94512E-03 ppm1 5.218 ppm2 2.228 CV 1 OR { 2876} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HB2 )) ASSI { 2876} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 24 and name HB3 )) 3.200 1.300 1.300 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.94512E-03 ppm1 5.218 ppm2 2.228 CV 1 OR { 2876} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 24 and name HB2 )) ASSI { 2884} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 126 and name HG3 )) 4.500 2.500 1.500 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.91729E-03 ppm1 3.870 ppm2 2.150 CV 1 ASSI { 2884} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 126 and name HG3 )) 4.500 2.500 1.500 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.91729E-03 ppm1 3.870 ppm2 2.150 CV 1 ASSI { 2885} (( segid "A " and resid 83 and name HA )) (( segid "A " and resid 84 and name HD2 )) 3.000 1.100 1.100 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.14781E-02 ppm1 4.862 ppm2 3.361 CV 1 ASSI { 2885} (( segid "B " and resid 83 and name HA )) (( segid "B " and resid 84 and name HD2 )) 3.000 1.100 1.100 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.14781E-02 ppm1 4.862 ppm2 3.361 CV 1 ASSI { 2886} (( segid "A " and resid 83 and name HA )) (( segid "A " and resid 84 and name HD3 )) 2.600 0.800 0.800 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 4.862 ppm2 4.142 CV 1 ASSI { 2886} (( segid "B " and resid 83 and name HA )) (( segid "B " and resid 84 and name HD3 )) 2.600 0.800 0.800 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 4.862 ppm2 4.142 CV 1 ASSI { 2887} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 126 and name HD2 )) 2.900 1.100 1.100 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 3.857 ppm2 2.501 CV 1 ASSI { 2887} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 126 and name HD2 )) 2.900 1.100 1.100 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.13499E-02 ppm1 3.857 ppm2 2.501 CV 1 ASSI { 2888} (( segid "A " and resid 83 and name HA )) (( segid "A " and resid 83 and name HG3 )) 3.700 1.700 1.700 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.76030E-03 ppm1 4.849 ppm2 1.524 CV 1 ASSI { 2888} (( segid "B " and resid 83 and name HA )) (( segid "B " and resid 83 and name HG3 )) 3.700 1.700 1.700 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.76030E-03 ppm1 4.849 ppm2 1.524 CV 1 ASSI { 2890} (( segid "A " and resid 125 and name HA )) ( segid "A " and resid 125 and name HD1%) 4.200 2.200 1.800 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.18949E-02 ppm1 3.870 ppm2 -0.195 CV 1 ASSI { 2890} (( segid "B " and resid 125 and name HA )) ( segid "B " and resid 125 and name HD1%) 4.200 2.200 1.800 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.18949E-02 ppm1 3.870 ppm2 -0.195 CV 1 ASSI { 2891} (( segid "A " and resid 83 and name HA )) (( segid "A " and resid 83 and name HG2 )) 3.800 1.800 1.800 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.94607E-03 ppm1 4.875 ppm2 1.368 CV 1 ASSI { 2891} (( segid "B " and resid 83 and name HA )) (( segid "B " and resid 83 and name HG2 )) 3.800 1.800 1.800 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.94607E-03 ppm1 4.875 ppm2 1.368 CV 1 ASSI { 2892} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 126 and name HD3 )) 2.800 1.000 1.000 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 3.870 ppm2 3.283 CV 1 ASSI { 2892} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 126 and name HD3 )) 2.800 1.000 1.000 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.20416E-02 ppm1 3.870 ppm2 3.283 CV 1 ASSI { 2896} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 48 and name HD3 )) 3.000 1.100 1.100 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.18661E-02 ppm1 4.989 ppm2 3.986 CV 1 ASSI { 2896} (( segid "B " and resid 47 and name HA )) (( segid "B " and resid 48 and name HD3 )) 3.000 1.100 1.100 peak 2896 spectrum 1 weight 0.10000E+01 volume 0.18661E-02 ppm1 4.989 ppm2 3.986 CV 1 ASSI { 2897} (( segid "A " and resid 21 and name HA )) (( segid "A " and resid 21 and name HB2 )) 2.500 0.800 0.800 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.61535E-02 ppm1 4.976 ppm2 2.501 CV 1 ASSI { 2897} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HB2 )) 2.500 0.800 0.800 peak 2897 spectrum 1 weight 0.10000E+01 volume 0.61535E-02 ppm1 4.976 ppm2 2.501 CV 1 ASSI { 2898} (( segid "A " and resid 21 and name HA )) (( segid "A " and resid 21 and name HB3 )) 2.400 0.700 0.700 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.73170E-02 ppm1 4.964 ppm2 2.892 CV 1 ASSI { 2898} (( segid "B " and resid 21 and name HA )) (( segid "B " and resid 21 and name HB3 )) 2.400 0.700 0.700 peak 2898 spectrum 1 weight 0.10000E+01 volume 0.73170E-02 ppm1 4.964 ppm2 2.892 CV 1 ASSI { 2900} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 57 and name HD2 )) 2.700 0.900 0.900 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 4.468 ppm2 3.205 CV 1 OR { 2900} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 57 and name HD3 )) ASSI { 2900} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 57 and name HD2 )) 2.700 0.900 0.900 peak 2900 spectrum 1 weight 0.10000E+01 volume 0.23888E-02 ppm1 4.468 ppm2 3.205 CV 1 OR { 2900} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 57 and name HD3 )) ASSI { 2903} (( segid "A " and resid 128 and name HA )) (( segid "A " and resid 128 and name HB3 )) 2.300 0.700 0.700 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.51547E-02 ppm1 4.633 ppm2 1.368 CV 1 ASSI { 2903} (( segid "B " and resid 128 and name HA )) (( segid "B " and resid 128 and name HB3 )) 2.300 0.700 0.700 peak 2903 spectrum 1 weight 0.10000E+01 volume 0.51547E-02 ppm1 4.633 ppm2 1.368 CV 1 ASSI { 2905} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 48 and name HD2 )) 2.600 0.900 0.900 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.24547E-02 ppm1 5.015 ppm2 3.752 CV 1 ASSI { 2905} (( segid "B " and resid 47 and name HA )) (( segid "B " and resid 48 and name HD2 )) 2.600 0.900 0.900 peak 2905 spectrum 1 weight 0.10000E+01 volume 0.24547E-02 ppm1 5.015 ppm2 3.752 CV 1 ASSI { 2908} (( segid "A " and resid 65 and name HA )) ( segid "A " and resid 73 and name HD1%) 3.000 1.100 1.100 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.26766E-02 ppm1 3.781 ppm2 0.665 CV 1 ASSI { 2908} (( segid "B " and resid 65 and name HA )) ( segid "B " and resid 73 and name HD1%) 3.000 1.100 1.100 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.26766E-02 ppm1 3.781 ppm2 0.665 CV 1 ASSI { 2911} (( segid "A " and resid 2 and name HA )) (( segid "A " and resid 2 and name HB3 )) 2.000 0.500 0.500 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.17389E-01 ppm1 4.620 ppm2 2.736 CV 1 ASSI { 2911} (( segid "B " and resid 2 and name HA )) (( segid "B " and resid 2 and name HB3 )) 2.000 0.500 0.500 peak 2911 spectrum 1 weight 0.10000E+01 volume 0.17389E-01 ppm1 4.620 ppm2 2.736 CV 1 ASSI { 2914} (( segid "A " and resid 22 and name HA )) ( segid "A " and resid 23 and name HG2%) 3.300 1.400 1.400 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 4.798 ppm2 0.821 CV 1 ASSI { 2914} (( segid "B " and resid 22 and name HA )) ( segid "B " and resid 23 and name HG2%) 3.300 1.400 1.400 peak 2914 spectrum 1 weight 0.10000E+01 volume 0.25123E-02 ppm1 4.798 ppm2 0.821 CV 1 ASSI { 2915} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 70 and name HD2%) 2.800 1.000 1.000 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 4.430 ppm2 0.665 CV 1 ASSI { 2915} (( segid "B " and resid 98 and name HA )) ( segid "B " and resid 70 and name HD2%) 2.800 1.000 1.000 peak 2915 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 4.430 ppm2 0.665 CV 1 ASSI { 2920} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 39 and name HB3 )) 2.300 0.700 0.700 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.10890E-01 ppm1 4.468 ppm2 2.697 CV 1 OR { 2920} (( segid "A " and resid 39 and name HA )) (( segid "A " and resid 39 and name HB2 )) ASSI { 2920} (( segid "B " and resid 39 and name HA )) (( segid "B " and resid 39 and name HB3 )) 2.300 0.700 0.700 peak 2920 spectrum 1 weight 0.10000E+01 volume 0.10890E-01 ppm1 4.468 ppm2 2.697 CV 1 OR { 2920} (( segid "B " and resid 39 and name HA )) (( segid "B " and resid 39 and name HB2 )) ASSI { 2925} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HB3 )) 2.400 0.700 0.700 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.84207E-02 ppm1 4.353 ppm2 2.775 CV 1 ASSI { 2925} (( segid "B " and resid 129 and name HA )) (( segid "B " and resid 129 and name HB3 )) 2.400 0.700 0.700 peak 2925 spectrum 1 weight 0.10000E+01 volume 0.84207E-02 ppm1 4.353 ppm2 2.775 CV 1 ASSI { 2926} (( segid "A " and resid 95 and name HA )) ( segid "A " and resid 87 and name HG1%) 3.700 1.700 1.700 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.18903E-02 ppm1 3.705 ppm2 0.821 CV 1 ASSI { 2926} (( segid "B " and resid 95 and name HA )) ( segid "B " and resid 87 and name HG1%) 3.700 1.700 1.700 peak 2926 spectrum 1 weight 0.10000E+01 volume 0.18903E-02 ppm1 3.705 ppm2 0.821 CV 1 ASSI { 2930} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 54 and name HG2 )) 2.700 0.900 0.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.27610E-02 ppm1 4.671 ppm2 2.540 CV 1 ASSI { 2930} (( segid "B " and resid 54 and name HA )) (( segid "B " and resid 54 and name HG2 )) 2.700 0.900 0.900 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.27610E-02 ppm1 4.671 ppm2 2.540 CV 1 ASSI { 2932} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HB2 )) 2.300 0.700 0.700 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.82983E-02 ppm1 4.353 ppm2 2.697 CV 1 ASSI { 2932} (( segid "B " and resid 129 and name HA )) (( segid "B " and resid 129 and name HB2 )) 2.300 0.700 0.700 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.82983E-02 ppm1 4.353 ppm2 2.697 CV 1 ASSI { 2933} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.12162E-02 ppm1 5.002 ppm2 2.970 CV 1 ASSI { 2933} (( segid "B " and resid 64 and name HA )) (( segid "B " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 2933 spectrum 1 weight 0.10000E+01 volume 0.12162E-02 ppm1 5.002 ppm2 2.970 CV 1 ASSI { 2934} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 87 and name HB )) 3.700 1.700 1.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 3.717 ppm2 1.837 CV 1 ASSI { 2934} (( segid "B " and resid 95 and name HA )) (( segid "B " and resid 87 and name HB )) 3.700 1.700 1.700 peak 2934 spectrum 1 weight 0.10000E+01 volume 0.10491E-02 ppm1 3.717 ppm2 1.837 CV 1 ASSI { 2935} (( segid "A " and resid 17 and name HA )) ( segid "A " and resid 17 and name HB% ) 1.900 0.500 0.500 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.26822E-01 ppm1 4.086 ppm2 1.446 CV 1 ASSI { 2935} (( segid "B " and resid 17 and name HA )) ( segid "B " and resid 17 and name HB% ) 1.900 0.500 0.500 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.26822E-01 ppm1 4.086 ppm2 1.446 CV 1 ASSI { 2940} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 21 and name HB3 )) 3.100 1.200 1.200 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 4.112 ppm2 2.931 CV 1 ASSI { 2940} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 21 and name HB3 )) 3.100 1.200 1.200 peak 2940 spectrum 1 weight 0.10000E+01 volume 0.14818E-02 ppm1 4.112 ppm2 2.931 CV 1 ASSI { 2946} (( segid "A " and resid 76 and name HA )) (( segid "A " and resid 76 and name HE3 )) 4.800 2.900 1.200 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 4.684 ppm2 2.970 CV 1 OR { 2946} (( segid "A " and resid 76 and name HA )) (( segid "A " and resid 76 and name HE2 )) ASSI { 2946} (( segid "B " and resid 76 and name HA )) (( segid "B " and resid 76 and name HE3 )) 4.800 2.900 1.200 peak 2946 spectrum 1 weight 0.10000E+01 volume 0.80958E-03 ppm1 4.684 ppm2 2.970 CV 1 OR { 2946} (( segid "B " and resid 76 and name HA )) (( segid "B " and resid 76 and name HE2 )) ASSI { 2947} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HB3 )) 3.700 1.700 1.700 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.83297E-03 ppm1 5.040 ppm2 3.283 CV 1 ASSI { 2947} (( segid "B " and resid 64 and name HA )) (( segid "B " and resid 64 and name HB3 )) 3.700 1.700 1.700 peak 2947 spectrum 1 weight 0.10000E+01 volume 0.83297E-03 ppm1 5.040 ppm2 3.283 CV 1 ASSI { 2951} (( segid "A " and resid 76 and name HA )) (( segid "A " and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.97856E-02 ppm1 4.659 ppm2 1.681 CV 1 ASSI { 2951} (( segid "B " and resid 76 and name HA )) (( segid "B " and resid 76 and name HB2 )) 2.500 0.800 0.800 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.97856E-02 ppm1 4.659 ppm2 1.681 CV 1 ASSI { 2953} (( segid "A " and resid 76 and name HA )) (( segid "A " and resid 76 and name HB3 )) 2.200 0.600 0.600 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.78415E-02 ppm1 4.659 ppm2 2.110 CV 1 ASSI { 2953} (( segid "B " and resid 76 and name HA )) (( segid "B " and resid 76 and name HB3 )) 2.200 0.600 0.600 peak 2953 spectrum 1 weight 0.10000E+01 volume 0.78415E-02 ppm1 4.659 ppm2 2.110 CV 1 ASSI { 2955} (( segid "A " and resid 76 and name HA )) (( segid "A " and resid 76 and name HG3 )) 2.800 1.000 1.000 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.81561E-02 ppm1 4.659 ppm2 1.446 CV 1 ASSI { 2955} (( segid "B " and resid 76 and name HA )) (( segid "B " and resid 76 and name HG3 )) 2.800 1.000 1.000 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.81561E-02 ppm1 4.659 ppm2 1.446 CV 1 ASSI { 2957} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 12 and name HA )) 3.700 1.700 1.700 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 4.124 ppm2 3.439 CV 1 ASSI { 2957} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 12 and name HA )) 3.700 1.700 1.700 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.79463E-03 ppm1 4.124 ppm2 3.439 CV 1 ASSI { 2961} (( segid "A " and resid 79 and name HA )) ( segid "A " and resid 79 and name HD1%) 3.500 1.500 1.500 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 4.252 ppm2 0.743 CV 1 ASSI { 2961} (( segid "B " and resid 79 and name HA )) ( segid "B " and resid 79 and name HD1%) 3.500 1.500 1.500 peak 2961 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 4.252 ppm2 0.743 CV 1 ASSI { 2962} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HD3 )) 3.100 1.200 1.200 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.32728E-02 ppm1 4.226 ppm2 1.759 CV 1 ASSI { 2962} (( segid "B " and resid 63 and name HA )) (( segid "B " and resid 63 and name HD3 )) 3.100 1.200 1.200 peak 2962 spectrum 1 weight 0.10000E+01 volume 0.32728E-02 ppm1 4.226 ppm2 1.759 CV 1 ASSI { 2965} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.75166E-03 ppm1 3.934 ppm2 0.079 CV 1 ASSI { 2965} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 33 and name HD2%) 3.600 1.600 1.600 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.75166E-03 ppm1 3.934 ppm2 0.079 CV 1 ASSI { 2971} (( segid "A " and resid 30 and name HA )) (( segid "A " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.93307E-03 ppm1 3.946 ppm2 7.854 CV 1 ASSI { 2971} (( segid "B " and resid 30 and name HA )) (( segid "B " and resid 33 and name HN )) 3.900 1.900 1.900 peak 2971 spectrum 1 weight 0.10000E+01 volume 0.93307E-03 ppm1 3.946 ppm2 7.854 CV 1 ASSI { 2982} (( segid "A " and resid 111 and name HA )) (( segid "A " and resid 111 and name HB2 )) 3.200 1.300 1.300 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 5.765 ppm2 2.892 CV 1 ASSI { 2982} (( segid "B " and resid 111 and name HA )) (( segid "B " and resid 111 and name HB2 )) 3.200 1.300 1.300 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 5.765 ppm2 2.892 CV 1 ASSI { 2984} (( segid "A " and resid 130 and name HA )) (( segid "A " and resid 130 and name HD3 )) 4.000 2.000 2.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 4.162 ppm2 3.165 CV 1 ASSI { 2984} (( segid "B " and resid 130 and name HA )) (( segid "B " and resid 130 and name HD3 )) 4.000 2.000 2.000 peak 2984 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 4.162 ppm2 3.165 CV 1 ASSI { 2988} (( segid "A " and resid 130 and name HA )) (( segid "A " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.96370E-02 ppm1 4.162 ppm2 1.759 CV 1 ASSI { 2988} (( segid "B " and resid 130 and name HA )) (( segid "B " and resid 130 and name HB3 )) 2.400 0.700 0.700 peak 2988 spectrum 1 weight 0.10000E+01 volume 0.96370E-02 ppm1 4.162 ppm2 1.759 CV 1 ASSI { 2994} (( segid "A " and resid 130 and name HA )) (( segid "A " and resid 130 and name HG3 )) 2.200 0.600 0.600 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.92295E-02 ppm1 4.162 ppm2 1.446 CV 1 OR { 2994} (( segid "A " and resid 130 and name HA )) (( segid "A " and resid 130 and name HG2 )) ASSI { 2994} (( segid "B " and resid 130 and name HA )) (( segid "B " and resid 130 and name HG3 )) 2.200 0.600 0.600 peak 2994 spectrum 1 weight 0.10000E+01 volume 0.92295E-02 ppm1 4.162 ppm2 1.446 CV 1 OR { 2994} (( segid "B " and resid 130 and name HA )) (( segid "B " and resid 130 and name HG2 )) ASSI { 2998} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 4.035 ppm2 1.134 CV 1 ASSI { 2998} (( segid "B " and resid 73 and name HA )) (( segid "B " and resid 73 and name HB2 )) 2.800 1.000 1.000 peak 2998 spectrum 1 weight 0.10000E+01 volume 0.14688E-02 ppm1 4.035 ppm2 1.134 CV 1 ASSI { 3019} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 60 and name HE2 )) 3.500 1.500 1.500 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 4.137 ppm2 2.970 CV 1 OR { 3019} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 60 and name HE3 )) ASSI { 3019} (( segid "B " and resid 36 and name HA )) (( segid "B " and resid 60 and name HE2 )) 3.500 1.500 1.500 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.12998E-02 ppm1 4.137 ppm2 2.970 CV 1 OR { 3019} (( segid "B " and resid 36 and name HA )) (( segid "B " and resid 60 and name HE3 )) ASSI { 3022} (( segid "A " and resid 82 and name HA )) (( segid "A " and resid 82 and name HB3 )) 2.100 0.500 0.500 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.12097E-01 ppm1 4.124 ppm2 2.150 CV 1 ASSI { 3022} (( segid "B " and resid 82 and name HA )) (( segid "B " and resid 82 and name HB3 )) 2.100 0.500 0.500 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.12097E-01 ppm1 4.124 ppm2 2.150 CV 1 ASSI { 3026} (( segid "A " and resid 29 and name HA )) (( segid "A " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 4.506 ppm2 2.540 CV 1 ASSI { 3026} (( segid "B " and resid 29 and name HA )) (( segid "B " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.27564E-02 ppm1 4.506 ppm2 2.540 CV 1 ASSI { 3027} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 27 and name HG2 )) 3.800 1.800 1.800 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.14363E-02 ppm1 4.697 ppm2 1.993 CV 1 ASSI { 3027} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 27 and name HG2 )) 3.800 1.800 1.800 peak 3027 spectrum 1 weight 0.10000E+01 volume 0.14363E-02 ppm1 4.697 ppm2 1.993 CV 1 ASSI { 3029} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 26 and name HB3 )) 2.700 0.900 0.900 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.23861E-02 ppm1 4.697 ppm2 4.299 CV 1 ASSI { 3029} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB3 )) 2.700 0.900 0.900 peak 3029 spectrum 1 weight 0.10000E+01 volume 0.23861E-02 ppm1 4.697 ppm2 4.299 CV 1 ASSI { 3032} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 26 and name HB2 )) 2.600 0.900 0.900 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.41019E-02 ppm1 4.697 ppm2 4.064 CV 1 ASSI { 3032} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 26 and name HB2 )) 2.600 0.900 0.900 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.41019E-02 ppm1 4.697 ppm2 4.064 CV 1 ASSI { 3033} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 27 and name HG3 )) 4.700 2.700 1.300 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.95257E-03 ppm1 4.697 ppm2 2.189 CV 1 ASSI { 3033} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 27 and name HG3 )) 4.700 2.700 1.300 peak 3033 spectrum 1 weight 0.10000E+01 volume 0.95257E-03 ppm1 4.697 ppm2 2.189 CV 1 ASSI { 3034} (( segid "A " and resid 62 and name HA )) ( segid "A " and resid 42 and name HD2%) 4.200 2.200 1.800 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.60273E-03 ppm1 4.849 ppm2 0.391 CV 1 ASSI { 3034} (( segid "B " and resid 62 and name HA )) ( segid "B " and resid 42 and name HD2%) 4.200 2.200 1.800 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.60273E-03 ppm1 4.849 ppm2 0.391 CV 1 ASSI { 3037} (( segid "A " and resid 88 and name HA )) (( segid "A " and resid 88 and name HB2 )) 2.900 1.000 1.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.89565E-03 ppm1 5.498 ppm2 2.462 CV 1 ASSI { 3037} (( segid "B " and resid 88 and name HA )) (( segid "B " and resid 88 and name HB2 )) 2.900 1.000 1.000 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.89565E-03 ppm1 5.498 ppm2 2.462 CV 1 ASSI { 3045} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HB2 )) 2.900 1.000 1.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 4.862 ppm2 2.736 CV 1 OR { 3045} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HB3 )) ASSI { 3045} (( segid "B " and resid 62 and name HA )) (( segid "B " and resid 62 and name HB2 )) 2.900 1.000 1.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 4.862 ppm2 2.736 CV 1 OR { 3045} (( segid "B " and resid 62 and name HA )) (( segid "B " and resid 62 and name HB3 )) ASSI { 3056} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HG3 )) 2.500 0.800 0.800 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.10584E-01 ppm1 4.264 ppm2 1.602 CV 1 ASSI { 3056} (( segid "B " and resid 108 and name HA )) (( segid "B " and resid 108 and name HG3 )) 2.500 0.800 0.800 peak 3056 spectrum 1 weight 0.10000E+01 volume 0.10584E-01 ppm1 4.264 ppm2 1.602 CV 1 ASSI { 3062} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HG2 )) 2.300 0.700 0.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.41130E-02 ppm1 4.264 ppm2 1.407 CV 1 ASSI { 3062} (( segid "B " and resid 108 and name HA )) (( segid "B " and resid 108 and name HG2 )) 2.300 0.700 0.700 peak 3062 spectrum 1 weight 0.10000E+01 volume 0.41130E-02 ppm1 4.264 ppm2 1.407 CV 1 ASSI { 3064} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB2 )) 2.200 0.600 0.600 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.11160E-01 ppm1 4.264 ppm2 1.837 CV 1 OR { 3064} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB3 )) ASSI { 3064} (( segid "B " and resid 108 and name HA )) (( segid "B " and resid 108 and name HB2 )) 2.200 0.600 0.600 peak 3064 spectrum 1 weight 0.10000E+01 volume 0.11160E-01 ppm1 4.264 ppm2 1.837 CV 1 OR { 3064} (( segid "B " and resid 108 and name HA )) (( segid "B " and resid 108 and name HB3 )) ASSI { 3067} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 11 and name HB2 )) 2.600 0.900 0.900 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.23211E-02 ppm1 4.760 ppm2 3.361 CV 1 ASSI { 3067} (( segid "B " and resid 8 and name HA )) (( segid "B " and resid 11 and name HB2 )) 2.600 0.900 0.900 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.23211E-02 ppm1 4.760 ppm2 3.361 CV 1 ASSI { 3068} (( segid "A " and resid 34 and name HA )) ( segid "A " and resid 33 and name HD2%) 4.500 2.500 1.500 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 3.870 ppm2 0.079 CV 1 ASSI { 3068} (( segid "B " and resid 34 and name HA )) ( segid "B " and resid 33 and name HD2%) 4.500 2.500 1.500 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.10862E-02 ppm1 3.870 ppm2 0.079 CV 1 ASSI { 3069} (( segid "A " and resid 8 and name HA )) (( segid "A " and resid 11 and name HB3 )) 3.400 1.400 1.400 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 4.773 ppm2 3.595 CV 1 ASSI { 3069} (( segid "B " and resid 8 and name HA )) (( segid "B " and resid 11 and name HB3 )) 3.400 1.400 1.400 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 4.773 ppm2 3.595 CV 1 ASSI { 3072} (( segid "A " and resid 8 and name HA )) ( segid "B " and resid 75 and name HB% ) 3.300 1.300 1.300 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 4.773 ppm2 1.642 CV 1 ASSI { 3072} (( segid "B " and resid 8 and name HA )) ( segid "A " and resid 75 and name HB% ) 3.300 1.300 1.300 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.38650E-02 ppm1 4.773 ppm2 1.642 CV 1 ASSI { 3078} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 34 and name HN )) 2.800 1.000 1.000 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.19423E-02 ppm1 3.857 ppm2 7.972 CV 1 ASSI { 3078} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 34 and name HN )) 2.800 1.000 1.000 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.19423E-02 ppm1 3.857 ppm2 7.972 CV 1 ASSI { 3079} (( segid "A " and resid 8 and name HA )) ( segid "A " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.11986E-02 ppm1 4.773 ppm2 7.385 CV 1 ASSI { 3079} (( segid "B " and resid 8 and name HA )) ( segid "B " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.11986E-02 ppm1 4.773 ppm2 7.385 CV 1 ASSI { 3085} (( segid "A " and resid 118 and name HA )) ( segid "A " and resid 121 and name HD1%) 3.600 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.16972E-02 ppm1 4.391 ppm2 1.016 CV 1 OR { 3085} (( segid "A " and resid 118 and name HA )) ( segid "A " and resid 121 and name HD2%) ASSI { 3085} (( segid "B " and resid 118 and name HA )) ( segid "B " and resid 121 and name HD1%) 3.600 1.600 1.600 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.16972E-02 ppm1 4.391 ppm2 1.016 CV 1 OR { 3085} (( segid "B " and resid 118 and name HA )) ( segid "B " and resid 121 and name HD2%) ASSI { 3099} (( segid "A " and resid 7 and name HA )) (( segid "B " and resid 105 and name HB3 )) 3.400 1.400 1.400 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 4.976 ppm2 3.478 CV 1 ASSI { 3099} (( segid "B " and resid 7 and name HA )) (( segid "A " and resid 105 and name HB3 )) 3.400 1.400 1.400 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.11252E-02 ppm1 4.976 ppm2 3.478 CV 1 ASSI { 3103} (( segid "A " and resid 85 and name HA )) (( segid "A " and resid 85 and name HB )) 2.900 1.000 1.000 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 5.256 ppm2 1.954 CV 1 ASSI { 3103} (( segid "B " and resid 85 and name HA )) (( segid "B " and resid 85 and name HB )) 2.900 1.000 1.000 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.14604E-02 ppm1 5.256 ppm2 1.954 CV 1 ASSI { 3113} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HB )) 2.300 0.700 0.700 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.56012E-02 ppm1 4.659 ppm2 2.462 CV 1 ASSI { 3113} (( segid "B " and resid 59 and name HA )) (( segid "B " and resid 59 and name HB )) 2.300 0.700 0.700 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.56012E-02 ppm1 4.659 ppm2 2.462 CV 1 ASSI { 3116} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HG )) 2.400 0.700 0.700 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.47480E-02 ppm1 3.794 ppm2 1.290 CV 1 OR { 3116} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HB2 )) ASSI { 3116} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 51 and name HG )) 2.400 0.700 0.700 peak 3116 spectrum 1 weight 0.10000E+01 volume 0.47480E-02 ppm1 3.794 ppm2 1.290 CV 1 OR { 3116} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 51 and name HB2 )) ASSI { 3118} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HB3 )) 2.600 0.800 0.800 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.37832E-02 ppm1 3.794 ppm2 1.485 CV 1 ASSI { 3118} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 51 and name HB3 )) 2.600 0.800 0.800 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.37832E-02 ppm1 3.794 ppm2 1.485 CV 1 ASSI { 3126} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 74 and name HB3 )) 2.900 1.000 1.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.26377E-02 ppm1 3.476 ppm2 1.642 CV 1 ASSI { 3126} (( segid "B " and resid 74 and name HA )) (( segid "B " and resid 74 and name HB3 )) 2.900 1.000 1.000 peak 3126 spectrum 1 weight 0.10000E+01 volume 0.26377E-02 ppm1 3.476 ppm2 1.642 CV 1 ASSI { 3135} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HG3 )) 3.200 1.200 1.200 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.46838E-02 ppm1 4.188 ppm2 1.446 CV 1 ASSI { 3135} (( segid "B " and resid 6 and name HA )) (( segid "B " and resid 6 and name HG3 )) 3.100 1.200 1.200 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.46838E-02 ppm1 4.188 ppm2 1.446 CV 1 ASSI { 3137} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HD3 )) 2.300 0.700 0.700 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.99064E-02 ppm1 4.188 ppm2 1.602 CV 1 OR { 3137} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HD2 )) ASSI { 3137} (( segid "B " and resid 6 and name HA )) (( segid "B " and resid 6 and name HD3 )) 2.300 0.700 0.700 peak 3137 spectrum 1 weight 0.10000E+01 volume 0.99064E-02 ppm1 4.188 ppm2 1.602 CV 1 OR { 3137} (( segid "B " and resid 6 and name HA )) (( segid "B " and resid 6 and name HD2 )) ASSI { 3139} (( segid "A " and resid 5 and name HA )) (( segid "A " and resid 8 and name HA )) 4.700 2.800 1.300 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.82769E-03 ppm1 4.188 ppm2 4.767 CV 1 ASSI { 3139} (( segid "B " and resid 5 and name HA )) (( segid "B " and resid 8 and name HA )) 4.700 2.800 1.300 peak 3139 spectrum 1 weight 0.10000E+01 volume 0.82769E-03 ppm1 4.188 ppm2 4.767 CV 1 ASSI { 3141} (( segid "A " and resid 107 and name HA )) (( segid "A " and resid 107 and name HB3 )) 3.100 1.200 1.200 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 4.709 ppm2 2.931 CV 1 ASSI { 3141} (( segid "B " and resid 107 and name HA )) (( segid "B " and resid 107 and name HB3 )) 3.100 1.200 1.200 peak 3141 spectrum 1 weight 0.10000E+01 volume 0.12404E-02 ppm1 4.709 ppm2 2.931 CV 1 ASSI { 3143} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 60 and name HD2 )) 3.100 1.200 1.200 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.56234E-02 ppm1 4.035 ppm2 1.681 CV 1 OR { 3143} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 60 and name HD3 )) ASSI { 3143} (( segid "B " and resid 60 and name HA )) (( segid "B " and resid 60 and name HD2 )) 3.100 1.200 1.200 peak 3143 spectrum 1 weight 0.10000E+01 volume 0.56234E-02 ppm1 4.035 ppm2 1.681 CV 1 OR { 3143} (( segid "B " and resid 60 and name HA )) (( segid "B " and resid 60 and name HD3 )) ASSI { 3144} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 60 and name HG2 )) 3.000 1.100 1.100 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.87689E-02 ppm1 4.035 ppm2 1.446 CV 1 ASSI { 3144} (( segid "B " and resid 60 and name HA )) (( segid "B " and resid 60 and name HG2 )) 3.000 1.100 1.100 peak 3144 spectrum 1 weight 0.10000E+01 volume 0.87689E-02 ppm1 4.035 ppm2 1.446 CV 1 ASSI { 3146} (( segid "A " and resid 107 and name HA )) (( segid "A " and resid 81 and name HA )) 3.100 1.200 1.200 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 4.697 ppm2 3.556 CV 1 ASSI { 3146} (( segid "B " and resid 107 and name HA )) (( segid "B " and resid 81 and name HA )) 3.100 1.200 1.200 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.11280E-02 ppm1 4.697 ppm2 3.556 CV 1 ASSI { 3149} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 104 and name HG2 )) 2.200 0.600 0.600 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.85766E-02 ppm1 4.124 ppm2 2.306 CV 1 ASSI { 3149} (( segid "B " and resid 104 and name HA )) (( segid "B " and resid 104 and name HG2 )) 2.200 0.600 0.600 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.85766E-02 ppm1 4.124 ppm2 2.306 CV 1 ASSI { 3150} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 4.697 ppm2 7.581 CV 1 ASSI { 3150} (( segid "B " and resid 107 and name HA )) ( segid "B " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 3150 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 4.697 ppm2 7.581 CV 1 ASSI { 3152} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 104 and name HG3 )) 3.400 1.400 1.400 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.44964E-02 ppm1 4.112 ppm2 2.579 CV 1 ASSI { 3152} (( segid "B " and resid 104 and name HA )) (( segid "B " and resid 104 and name HG3 )) 3.400 1.400 1.400 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.44964E-02 ppm1 4.112 ppm2 2.579 CV 1 ASSI { 3155} (( segid "A " and resid 45 and name HA )) ( segid "A " and resid 45 and name HG2%) 3.600 1.700 1.700 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 5.625 ppm2 0.665 CV 1 ASSI { 3155} (( segid "B " and resid 45 and name HA )) ( segid "B " and resid 45 and name HG2%) 3.600 1.700 1.700 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 5.625 ppm2 0.665 CV 1 ASSI { 3156} (( segid "A " and resid 5 and name HA )) (( segid "A " and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.12803E-01 ppm1 4.175 ppm2 2.071 CV 1 OR { 3156} (( segid "A " and resid 5 and name HA )) (( segid "A " and resid 5 and name HB3 )) ASSI { 3156} (( segid "B " and resid 5 and name HA )) (( segid "B " and resid 5 and name HB2 )) 2.200 0.600 0.600 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.12803E-01 ppm1 4.175 ppm2 2.071 CV 1 OR { 3156} (( segid "B " and resid 5 and name HA )) (( segid "B " and resid 5 and name HB3 )) ASSI { 3161} (( segid "A " and resid 14 and name HA )) (( segid "A " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.48538E-02 ppm1 4.023 ppm2 1.993 CV 1 ASSI { 3161} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HB2 )) 2.700 0.900 0.900 peak 3161 spectrum 1 weight 0.10000E+01 volume 0.48538E-02 ppm1 4.023 ppm2 1.993 CV 1 ASSI { 3163} (( segid "A " and resid 14 and name HA )) (( segid "A " and resid 14 and name HG3 )) 3.500 1.500 1.500 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.30508E-02 ppm1 4.023 ppm2 2.853 CV 1 ASSI { 3163} (( segid "B " and resid 14 and name HA )) (( segid "B " and resid 14 and name HG3 )) 3.500 1.500 1.500 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.30508E-02 ppm1 4.023 ppm2 2.853 CV 1 ASSI { 3166} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HG3 )) 2.900 1.100 1.100 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.30583E-02 ppm1 4.531 ppm2 1.915 CV 1 ASSI { 3166} (( segid "B " and resid 103 and name HA )) (( segid "B " and resid 103 and name HG3 )) 2.900 1.100 1.100 peak 3166 spectrum 1 weight 0.10000E+01 volume 0.30583E-02 ppm1 4.531 ppm2 1.915 CV 1 ASSI { 3167} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HG2 )) 3.300 1.400 1.400 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.21781E-02 ppm1 4.531 ppm2 1.759 CV 1 ASSI { 3167} (( segid "B " and resid 103 and name HA )) (( segid "B " and resid 103 and name HG2 )) 3.300 1.400 1.400 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.21781E-02 ppm1 4.531 ppm2 1.759 CV 1 ASSI { 3169} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HB2 )) 2.600 0.800 0.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 4.544 ppm2 1.993 CV 1 ASSI { 3169} (( segid "B " and resid 103 and name HA )) (( segid "B " and resid 103 and name HB2 )) 2.600 0.800 0.800 peak 3169 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 4.544 ppm2 1.993 CV 1 ASSI { 3172} (( segid "A " and resid 43 and name HA )) ( segid "A " and resid 43 and name HG2%) 2.700 0.900 0.900 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.28130E-02 ppm1 4.353 ppm2 0.508 CV 1 ASSI { 3172} (( segid "B " and resid 43 and name HA )) ( segid "B " and resid 43 and name HG2%) 2.700 0.900 0.900 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.28130E-02 ppm1 4.353 ppm2 0.508 CV 1 ASSI { 3173} (( segid "A " and resid 86 and name HA )) (( segid "A " and resid 111 and name HN )) 2.600 0.800 0.800 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.15950E-02 ppm1 4.849 ppm2 9.105 CV 1 ASSI { 3173} (( segid "B " and resid 86 and name HA )) (( segid "B " and resid 111 and name HN )) 2.600 0.800 0.800 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.15950E-02 ppm1 4.849 ppm2 9.105 CV 1 ASSI { 3175} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 103 and name HB3 )) 2.500 0.800 0.800 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 4.531 ppm2 2.110 CV 1 ASSI { 3175} (( segid "B " and resid 103 and name HA )) (( segid "B " and resid 103 and name HB3 )) 2.500 0.800 0.800 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.24575E-02 ppm1 4.531 ppm2 2.110 CV 1 ASSI { 3178} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 70 and name HB3 )) 2.800 1.000 1.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 3.272 ppm2 1.642 CV 1 ASSI { 3178} (( segid "B " and resid 70 and name HA )) (( segid "B " and resid 70 and name HB3 )) 2.800 1.000 1.000 peak 3178 spectrum 1 weight 0.10000E+01 volume 0.23015E-02 ppm1 3.272 ppm2 1.642 CV 1 ASSI { 3185} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.14873E-02 ppm1 3.285 ppm2 1.446 CV 1 ASSI { 3185} (( segid "B " and resid 70 and name HA )) (( segid "B " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.14873E-02 ppm1 3.285 ppm2 1.446 CV 1 ASSI { 3186} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HB3 )) 3.000 1.100 1.100 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 4.328 ppm2 3.478 CV 1 ASSI { 3186} (( segid "B " and resid 105 and name HA )) (( segid "B " and resid 105 and name HB3 )) 3.000 1.100 1.100 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.13731E-02 ppm1 4.328 ppm2 3.478 CV 1 ASSI { 3188} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HN )) 2.900 1.100 1.100 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.20490E-02 ppm1 4.315 ppm2 8.089 CV 1 ASSI { 3188} (( segid "B " and resid 105 and name HA )) (( segid "B " and resid 105 and name HN )) 2.900 1.100 1.100 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.20490E-02 ppm1 4.315 ppm2 8.089 CV 1 ASSI { 3190} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HB3 )) 2.200 0.600 0.600 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.11354E-01 ppm1 3.781 ppm2 1.837 CV 1 OR { 3190} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HB2 )) ASSI { 3190} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 16 and name HB3 )) 2.200 0.600 0.600 peak 3190 spectrum 1 weight 0.10000E+01 volume 0.11354E-01 ppm1 3.781 ppm2 1.837 CV 1 OR { 3190} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 16 and name HB2 )) ASSI { 3193} (( segid "A " and resid 16 and name HA )) ( segid "A " and resid 15 and name HG1%) 3.200 1.300 1.300 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 3.794 ppm2 0.782 CV 1 ASSI { 3193} (( segid "B " and resid 16 and name HA )) ( segid "B " and resid 15 and name HG1%) 3.200 1.300 1.300 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.13750E-02 ppm1 3.794 ppm2 0.782 CV 1 ASSI { 3197} (( segid "A " and resid 11 and name HA )) (( segid "A " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 4.900 ppm2 3.595 CV 1 ASSI { 3197} (( segid "B " and resid 11 and name HA )) (( segid "B " and resid 11 and name HB3 )) 3.100 1.200 1.200 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 4.900 ppm2 3.595 CV 1 ASSI { 3202} (( segid "A " and resid 11 and name HA )) (( segid "A " and resid 11 and name HB2 )) 2.900 1.100 1.100 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 4.913 ppm2 3.361 CV 1 ASSI { 3202} (( segid "B " and resid 11 and name HA )) (( segid "B " and resid 11 and name HB2 )) 2.900 1.100 1.100 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.13369E-02 ppm1 4.913 ppm2 3.361 CV 1 ASSI { 3203} (( segid "A " and resid 16 and name HA )) (( segid "A " and resid 16 and name HG3 )) 3.000 1.100 1.100 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.63607E-02 ppm1 3.768 ppm2 1.485 CV 1 ASSI { 3203} (( segid "B " and resid 16 and name HA )) (( segid "B " and resid 16 and name HG3 )) 3.000 1.100 1.100 peak 3203 spectrum 1 weight 0.10000E+01 volume 0.63607E-02 ppm1 3.768 ppm2 1.485 CV 1 ASSI { 3205} (( segid "A " and resid 11 and name HA )) ( segid "A " and resid 11 and name HD% ) 2.800 1.000 1.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.23898E-02 ppm1 4.900 ppm2 7.385 CV 1 ASSI { 3205} (( segid "B " and resid 11 and name HA )) ( segid "B " and resid 11 and name HD% ) 2.800 1.000 1.000 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.23898E-02 ppm1 4.900 ppm2 7.385 CV 1 ASSI { 3212} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 77 and name HB3 )) 2.500 0.800 0.800 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 4.086 ppm2 3.673 CV 1 OR { 3212} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 77 and name HB2 )) ASSI { 3212} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 77 and name HB3 )) 2.500 0.800 0.800 peak 3212 spectrum 1 weight 0.10000E+01 volume 0.40553E-02 ppm1 4.086 ppm2 3.673 CV 1 OR { 3212} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 77 and name HB2 )) ASSI { 3217} (( segid "A " and resid 87 and name HA )) ( segid "A " and resid 43 and name HD1%) 4.000 2.000 2.000 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.78469E-03 ppm1 4.900 ppm2 0.469 CV 1 ASSI { 3217} (( segid "B " and resid 87 and name HA )) ( segid "B " and resid 43 and name HD1%) 4.000 2.000 2.000 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.78469E-03 ppm1 4.900 ppm2 0.469 CV 1 ASSI { 3218} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 63 and name HE3 )) 4.500 2.500 1.500 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.10222E-02 ppm1 4.086 ppm2 3.009 CV 1 OR { 3218} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 63 and name HE2 )) ASSI { 3218} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 63 and name HE3 )) 4.500 2.500 1.500 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.10222E-02 ppm1 4.086 ppm2 3.009 CV 1 OR { 3218} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 63 and name HE2 )) ASSI { 3224} (( segid "A " and resid 40 and name HA )) ( segid "A " and resid 40 and name HG2%) 2.400 0.700 0.700 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 4.277 ppm2 0.665 CV 1 ASSI { 3224} (( segid "B " and resid 40 and name HA )) ( segid "B " and resid 40 and name HG2%) 2.400 0.700 0.700 peak 3224 spectrum 1 weight 0.10000E+01 volume 0.40293E-02 ppm1 4.277 ppm2 0.665 CV 1 ASSI { 3228} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 40 and name HB )) 2.900 1.000 1.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 4.277 ppm2 1.837 CV 1 ASSI { 3228} (( segid "B " and resid 40 and name HA )) (( segid "B " and resid 40 and name HB )) 2.900 1.000 1.000 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.20091E-02 ppm1 4.277 ppm2 1.837 CV 1 ASSI { 3253} (( segid "A " and resid 84 and name HA )) (( segid "A " and resid 84 and name HB2 )) 3.300 1.400 1.400 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.81515E-03 ppm1 5.091 ppm2 1.915 CV 1 ASSI { 3253} (( segid "B " and resid 84 and name HA )) (( segid "B " and resid 84 and name HB2 )) 3.300 1.400 1.400 peak 3253 spectrum 1 weight 0.10000E+01 volume 0.81515E-03 ppm1 5.091 ppm2 1.915 CV 1 ASSI { 3257} (( segid "A " and resid 84 and name HA )) (( segid "A " and resid 84 and name HB3 )) 2.800 1.000 1.000 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 5.078 ppm2 2.423 CV 1 ASSI { 3257} (( segid "B " and resid 84 and name HA )) (( segid "B " and resid 84 and name HB3 )) 2.800 1.000 1.000 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.12664E-02 ppm1 5.078 ppm2 2.423 CV 1 ASSI { 3258} (( segid "A " and resid 26 and name HB3 )) (( segid "A " and resid 26 and name HB2 )) 1.900 0.400 0.400 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.94791E-02 ppm1 4.302 ppm2 4.064 CV 1 ASSI { 3258} (( segid "B " and resid 26 and name HB3 )) (( segid "B " and resid 26 and name HB2 )) 1.900 0.400 0.400 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.94791E-02 ppm1 4.302 ppm2 4.064 CV 1 ASSI { 3260} (( segid "A " and resid 84 and name HA )) (( segid "A " and resid 84 and name HG2 )) 3.700 1.800 1.800 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.86630E-03 ppm1 5.091 ppm2 2.032 CV 1 ASSI { 3260} (( segid "B " and resid 84 and name HA )) (( segid "B " and resid 84 and name HG2 )) 3.700 1.800 1.800 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.86630E-03 ppm1 5.091 ppm2 2.032 CV 1 ASSI { 3266} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 127 and name HA )) 2.900 1.000 1.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.20425E-02 ppm1 3.997 ppm2 5.158 CV 1 ASSI { 3266} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 127 and name HA )) 2.900 1.000 1.000 peak 3266 spectrum 1 weight 0.10000E+01 volume 0.20425E-02 ppm1 3.997 ppm2 5.158 CV 1 ASSI { 3267} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 127 and name HB2 )) 3.800 1.800 1.800 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 3.997 ppm2 3.712 CV 1 OR { 3267} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 127 and name HB3 )) ASSI { 3267} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 127 and name HB2 )) 3.800 1.800 1.800 peak 3267 spectrum 1 weight 0.10000E+01 volume 0.11289E-02 ppm1 3.997 ppm2 3.712 CV 1 OR { 3267} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 127 and name HB3 )) ASSI { 3269} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.23229E-02 ppm1 4.010 ppm2 0.235 CV 1 ASSI { 3269} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 57 and name HB2 )) 2.900 1.000 1.000 peak 3269 spectrum 1 weight 0.10000E+01 volume 0.23229E-02 ppm1 4.010 ppm2 0.235 CV 1 ASSI { 3270} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 57 and name HB3 )) 2.600 0.800 0.800 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.15662E-02 ppm1 4.010 ppm2 0.782 CV 1 ASSI { 3270} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 57 and name HB3 )) 2.600 0.800 0.800 peak 3270 spectrum 1 weight 0.10000E+01 volume 0.15662E-02 ppm1 4.010 ppm2 0.782 CV 1 ASSI { 3274} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 31 and name HB2 )) 2.900 1.000 1.000 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.124 ppm2 2.736 CV 1 ASSI { 3274} (( segid "B " and resid 31 and name HA )) (( segid "B " and resid 31 and name HB2 )) 2.900 1.000 1.000 peak 3274 spectrum 1 weight 0.10000E+01 volume 0.10426E-02 ppm1 4.124 ppm2 2.736 CV 1 ASSI { 3278} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 31 and name HB3 )) 3.500 1.500 1.500 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.98598E-03 ppm1 4.124 ppm2 2.892 CV 1 ASSI { 3278} (( segid "B " and resid 31 and name HA )) (( segid "B " and resid 31 and name HB3 )) 3.500 1.500 1.500 peak 3278 spectrum 1 weight 0.10000E+01 volume 0.98598E-03 ppm1 4.124 ppm2 2.892 CV 1 ASSI { 3288} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HD3 )) 3.400 1.400 1.400 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 4.620 ppm2 3.830 CV 1 ASSI { 3288} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 38 and name HD3 )) 3.400 1.400 1.400 peak 3288 spectrum 1 weight 0.10000E+01 volume 0.10454E-02 ppm1 4.620 ppm2 3.830 CV 1 ASSI { 3289} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.86435E-02 ppm1 4.620 ppm2 1.993 CV 1 OR { 3289} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HG3 )) ASSI { 3289} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 38 and name HB2 )) 2.500 0.800 0.800 peak 3289 spectrum 1 weight 0.10000E+01 volume 0.86435E-02 ppm1 4.620 ppm2 1.993 CV 1 OR { 3289} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 38 and name HG3 )) ASSI { 3290} (( segid "A " and resid 113 and name HB2 )) (( segid "A " and resid 113 and name HA )) 2.600 0.900 0.900 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 3.387 ppm2 4.728 CV 1 ASSI { 3290} (( segid "B " and resid 113 and name HB2 )) (( segid "B " and resid 113 and name HA )) 2.600 0.900 0.900 peak 3290 spectrum 1 weight 0.10000E+01 volume 0.12775E-02 ppm1 3.387 ppm2 4.728 CV 1 ASSI { 3291} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 38 and name HB3 )) 2.100 0.600 0.600 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.80606E-02 ppm1 4.620 ppm2 2.345 CV 1 ASSI { 3291} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 38 and name HB3 )) 2.100 0.600 0.600 peak 3291 spectrum 1 weight 0.10000E+01 volume 0.80606E-02 ppm1 4.620 ppm2 2.345 CV 1 ASSI { 3293} (( segid "A " and resid 81 and name HA )) ( segid "A " and resid 107 and name HE% ) 3.400 1.500 1.500 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.90789E-03 ppm1 3.539 ppm2 7.073 CV 1 ASSI { 3293} (( segid "B " and resid 81 and name HA )) ( segid "B " and resid 107 and name HE% ) 3.400 1.500 1.500 peak 3293 spectrum 1 weight 0.10000E+01 volume 0.90789E-03 ppm1 3.539 ppm2 7.073 CV 1 ASSI { 3301} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 60 and name HD3 )) 4.000 2.000 2.000 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.92528E-03 ppm1 4.620 ppm2 1.681 CV 1 OR { 3301} (( segid "A " and resid 38 and name HA )) (( segid "A " and resid 60 and name HD2 )) ASSI { 3301} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 60 and name HD3 )) 4.000 2.000 2.000 peak 3301 spectrum 1 weight 0.10000E+01 volume 0.92528E-03 ppm1 4.620 ppm2 1.681 CV 1 OR { 3301} (( segid "B " and resid 38 and name HA )) (( segid "B " and resid 60 and name HD2 )) ASSI { 3302} (( segid "A " and resid 81 and name HA )) (( segid "A " and resid 81 and name HB3 )) 2.600 0.800 0.800 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.27732E-02 ppm1 3.539 ppm2 1.720 CV 1 ASSI { 3302} (( segid "B " and resid 81 and name HA )) (( segid "B " and resid 81 and name HB3 )) 2.600 0.800 0.800 peak 3302 spectrum 1 weight 0.10000E+01 volume 0.27732E-02 ppm1 3.539 ppm2 1.720 CV 1 ASSI { 3303} (( segid "A " and resid 81 and name HA )) (( segid "A " and resid 81 and name HB2 )) 3.100 1.200 1.200 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 3.539 ppm2 0.899 CV 1 ASSI { 3303} (( segid "B " and resid 81 and name HA )) (( segid "B " and resid 81 and name HB2 )) 3.100 1.200 1.200 peak 3303 spectrum 1 weight 0.10000E+01 volume 0.21261E-02 ppm1 3.539 ppm2 0.899 CV 1 ASSI { 3304} (( segid "A " and resid 113 and name HB2 )) (( segid "A " and resid 113 and name HB3 )) 2.200 0.600 0.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.11800E-02 ppm1 3.387 ppm2 4.455 CV 1 ASSI { 3304} (( segid "B " and resid 113 and name HB2 )) (( segid "B " and resid 113 and name HB3 )) 2.200 0.600 0.600 peak 3304 spectrum 1 weight 0.10000E+01 volume 0.11800E-02 ppm1 3.387 ppm2 4.455 CV 1 ASSI { 3309} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HB2 )) 2.700 0.900 0.900 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.42866E-02 ppm1 4.379 ppm2 2.189 CV 1 OR { 3309} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HG3 )) ASSI { 3309} (( segid "B " and resid 126 and name HA )) (( segid "B " and resid 126 and name HB2 )) 2.700 0.900 0.900 peak 3309 spectrum 1 weight 0.10000E+01 volume 0.42866E-02 ppm1 4.379 ppm2 2.189 CV 1 OR { 3309} (( segid "B " and resid 126 and name HA )) (( segid "B " and resid 126 and name HG3 )) ASSI { 3310} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HG2 )) 3.300 1.300 1.300 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.26256E-02 ppm1 4.379 ppm2 1.954 CV 1 ASSI { 3310} (( segid "B " and resid 126 and name HA )) (( segid "B " and resid 126 and name HG2 )) 3.300 1.300 1.300 peak 3310 spectrum 1 weight 0.10000E+01 volume 0.26256E-02 ppm1 4.379 ppm2 1.954 CV 1 ASSI { 3312} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HB3 )) 2.200 0.600 0.600 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.60133E-02 ppm1 4.379 ppm2 2.423 CV 1 ASSI { 3312} (( segid "B " and resid 126 and name HA )) (( segid "B " and resid 126 and name HB3 )) 2.200 0.600 0.600 peak 3312 spectrum 1 weight 0.10000E+01 volume 0.60133E-02 ppm1 4.379 ppm2 2.423 CV 1 ASSI { 3316} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 48 and name HB3 )) 2.600 0.900 0.900 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.28455E-02 ppm1 4.112 ppm2 2.579 CV 1 ASSI { 3316} (( segid "B " and resid 48 and name HA )) (( segid "B " and resid 48 and name HB3 )) 2.600 0.900 0.900 peak 3316 spectrum 1 weight 0.10000E+01 volume 0.28455E-02 ppm1 4.112 ppm2 2.579 CV 1 ASSI { 3317} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 51 and name HB3 )) 4.600 2.700 1.400 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.77031E-03 ppm1 4.112 ppm2 1.485 CV 1 ASSI { 3317} (( segid "B " and resid 48 and name HA )) (( segid "B " and resid 51 and name HB3 )) 4.600 2.700 1.400 peak 3317 spectrum 1 weight 0.10000E+01 volume 0.77031E-03 ppm1 4.112 ppm2 1.485 CV 1 ASSI { 3320} (( segid "A " and resid 48 and name HA )) ( segid "A " and resid 51 and name HD1%) 3.100 1.200 1.200 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.14474E-02 ppm1 4.112 ppm2 0.352 CV 1 ASSI { 3320} (( segid "B " and resid 48 and name HA )) ( segid "B " and resid 51 and name HD1%) 3.100 1.200 1.200 peak 3320 spectrum 1 weight 0.10000E+01 volume 0.14474E-02 ppm1 4.112 ppm2 0.352 CV 1 ASSI { 3323} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HD2 )) 4.000 2.000 2.000 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.65380E-03 ppm1 4.569 ppm2 3.908 CV 1 ASSI { 3323} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HD2 )) 4.000 2.000 2.000 peak 3323 spectrum 1 weight 0.10000E+01 volume 0.65380E-03 ppm1 4.569 ppm2 3.908 CV 1 ASSI { 3324} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HG2 )) 4.100 2.100 1.900 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.77478E-03 ppm1 4.557 ppm2 1.993 CV 1 ASSI { 3324} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HG2 )) 4.100 2.100 1.900 peak 3324 spectrum 1 weight 0.10000E+01 volume 0.77478E-03 ppm1 4.557 ppm2 1.993 CV 1 ASSI { 3326} (( segid "A " and resid 48 and name HA )) (( segid "A " and resid 51 and name HB2 )) 3.100 1.200 1.200 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.82268E-03 ppm1 4.137 ppm2 1.329 CV 1 ASSI { 3326} (( segid "B " and resid 48 and name HA )) (( segid "B " and resid 51 and name HB2 )) 3.100 1.200 1.200 peak 3326 spectrum 1 weight 0.10000E+01 volume 0.82268E-03 ppm1 4.137 ppm2 1.329 CV 1 ASSI { 3327} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HB3 )) 2.500 0.800 0.800 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 4.569 ppm2 2.657 CV 1 ASSI { 3327} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB3 )) 2.500 0.800 0.800 peak 3327 spectrum 1 weight 0.10000E+01 volume 0.22254E-02 ppm1 4.569 ppm2 2.657 CV 1 ASSI { 3328} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HG3 )) 4.300 2.300 1.700 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.70078E-03 ppm1 4.582 ppm2 2.228 CV 1 ASSI { 3328} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HG3 )) 4.300 2.300 1.700 peak 3328 spectrum 1 weight 0.10000E+01 volume 0.70078E-03 ppm1 4.582 ppm2 2.228 CV 1 ASSI { 3330} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 30 and name HN )) 3.500 1.500 1.500 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.71711E-03 ppm1 4.582 ppm2 9.066 CV 1 ASSI { 3330} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 30 and name HN )) 3.500 1.500 1.500 peak 3330 spectrum 1 weight 0.10000E+01 volume 0.71711E-03 ppm1 4.582 ppm2 9.066 CV 1 ASSI { 3343} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 15 and name HG1%) 2.700 0.900 0.900 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.50087E-02 ppm1 3.259 ppm2 0.743 CV 1 ASSI { 3343} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 15 and name HG1%) 2.700 0.900 0.900 peak 3343 spectrum 1 weight 0.10000E+01 volume 0.50087E-02 ppm1 3.259 ppm2 0.743 CV 1 ASSI { 3345} (( segid "A " and resid 15 and name HA )) (( segid "A " and resid 15 and name HB )) 3.200 1.300 1.300 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.14066E-02 ppm1 3.247 ppm2 1.720 CV 1 ASSI { 3345} (( segid "B " and resid 15 and name HA )) (( segid "B " and resid 15 and name HB )) 3.200 1.300 1.300 peak 3345 spectrum 1 weight 0.10000E+01 volume 0.14066E-02 ppm1 3.247 ppm2 1.720 CV 1 ASSI { 3349} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 102 and name HN )) 3.600 1.600 1.600 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.63969E-03 ppm1 4.061 ppm2 8.714 CV 1 ASSI { 3349} (( segid "B " and resid 101 and name HA )) (( segid "B " and resid 102 and name HN )) 3.600 1.600 1.600 peak 3349 spectrum 1 weight 0.10000E+01 volume 0.63969E-03 ppm1 4.061 ppm2 8.714 CV 1 ASSI { 3353} (( segid "A " and resid 10 and name HB )) ( segid "B " and resid 105 and name HD% ) 3.600 1.700 1.700 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.65193E-03 ppm1 4.302 ppm2 7.464 CV 1 ASSI { 3353} (( segid "B " and resid 10 and name HB )) ( segid "A " and resid 105 and name HD% ) 3.600 1.700 1.700 peak 3353 spectrum 1 weight 0.10000E+01 volume 0.65193E-03 ppm1 4.302 ppm2 7.464 CV 1 ASSI { 3361} (( segid "A " and resid 109 and name HB )) (( segid "A " and resid 109 and name HA )) 3.300 1.400 1.400 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 3.705 ppm2 4.299 CV 1 ASSI { 3361} (( segid "B " and resid 109 and name HB )) (( segid "B " and resid 109 and name HA )) 3.300 1.400 1.400 peak 3361 spectrum 1 weight 0.10000E+01 volume 0.10417E-02 ppm1 3.705 ppm2 4.299 CV 1 ASSI { 3364} (( segid "A " and resid 41 and name HB )) ( segid "A " and resid 43 and name HD1%) 3.500 1.600 1.600 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.88052E-03 ppm1 3.616 ppm2 0.469 CV 1 ASSI { 3364} (( segid "B " and resid 41 and name HB )) ( segid "B " and resid 43 and name HD1%) 3.500 1.600 1.600 peak 3364 spectrum 1 weight 0.10000E+01 volume 0.88052E-03 ppm1 3.616 ppm2 0.469 CV 1 ASSI { 3366} (( segid "A " and resid 41 and name HB )) ( segid "A " and resid 41 and name HG2%) 2.100 0.600 0.600 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.61963E-02 ppm1 3.603 ppm2 0.821 CV 1 ASSI { 3366} (( segid "B " and resid 41 and name HB )) ( segid "B " and resid 41 and name HG2%) 2.100 0.600 0.600 peak 3366 spectrum 1 weight 0.10000E+01 volume 0.61963E-02 ppm1 3.603 ppm2 0.821 CV 1 ASSI { 1673} ( segid "B " and resid 96 and name HB% ) ( segid "B " and resid 97 and name HD2%) 2.200 0.600 0.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10733E-01 ppm1 1.415 ppm2 0.743 CV 1 ASSI { 1833} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 100 and name HG3 )) 3.200 1.300 1.300 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.37147E-02 ppm1 1.161 ppm2 1.524 CV 1 ASSI { 2022} ( segid "B " and resid 97 and name HD1%) (( segid "B " and resid 100 and name HG2 )) 3.000 1.100 1.100 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.27156E-02 ppm1 1.008 ppm2 1.407 CV 1 ASSI { 2130} ( segid "B " and resid 79 and name HD1%) (( segid "B " and resid 74 and name HB3 )) 3.200 1.300 1.300 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.44035E-02 ppm1 0.728 ppm2 1.642 CV 1 ASSI { 2252} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 30 and name HA )) 2.700 0.900 0.900 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.19655E-02 ppm1 0.563 ppm2 3.947 CV 1 ASSI { 3154} (( segid "B " and resid 107 and name HA )) (( segid "B " and resid 81 and name HB2 )) 3.600 1.600 1.600 peak 3154 spectrum 1 weight 0.10000E+01 volume 0.13638E-02 ppm1 4.697 ppm2 0.899 CV 1 ASSI { 3219} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 76 and name HB2 )) 3.100 1.200 1.200 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 4.073 ppm2 1.642 CV 1 ASSI { 3373} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 114 and name HA )) 2.700 0.900 0.900 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.53328E-02 ppm1 1.828 ppm2 3.845 CV 1 ASSI { 3373} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 114 and name HA )) 2.700 0.900 0.900 peak 3373 spectrum 1 weight 0.10000E+01 volume 0.53328E-02 ppm1 1.828 ppm2 3.845 CV 1 ASSI { 3375} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HG2 )) 3.200 1.300 1.300 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.54812E-02 ppm1 1.828 ppm2 2.630 CV 1 ASSI { 3375} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HG2 )) 3.200 1.300 1.300 peak 3375 spectrum 1 weight 0.10000E+01 volume 0.54812E-02 ppm1 1.828 ppm2 2.630 CV 1 ASSI { 3376} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 112 and name HD21)) 3.000 1.100 1.100 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 1.828 ppm2 5.754 CV 1 ASSI { 3376} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 112 and name HD21)) 3.000 1.100 1.100 peak 3376 spectrum 1 weight 0.10000E+01 volume 0.20048E-02 ppm1 1.828 ppm2 5.754 CV 1 ASSI { 3378} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 112 and name HD22)) 3.500 1.500 1.500 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 1.828 ppm2 6.448 CV 1 ASSI { 3378} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 112 and name HD22)) 3.500 1.500 1.500 peak 3378 spectrum 1 weight 0.10000E+01 volume 0.16252E-02 ppm1 1.828 ppm2 6.448 CV 1 ASSI { 3381} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HN )) 3.800 1.800 1.800 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.36205E-02 ppm1 1.828 ppm2 8.879 CV 1 ASSI { 3381} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HN )) 3.800 1.800 1.800 peak 3381 spectrum 1 weight 0.10000E+01 volume 0.36205E-02 ppm1 1.828 ppm2 8.879 CV 1 ASSI { 3384} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 114 and name HN )) 3.300 1.400 1.400 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 1.828 ppm2 9.963 CV 1 ASSI { 3384} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 114 and name HN )) 3.300 1.400 1.400 peak 3384 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 1.828 ppm2 9.963 CV 1 ASSI { 3387} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 37 and name HN )) 4.000 2.000 2.000 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 0.788 ppm2 7.447 CV 1 ASSI { 3387} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 37 and name HN )) 4.000 2.000 2.000 peak 3387 spectrum 1 weight 0.10000E+01 volume 0.16942E-02 ppm1 0.788 ppm2 7.447 CV 1 ASSI { 3388} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 33 and name HG )) 4.100 2.100 1.900 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 0.788 ppm2 1.241 CV 1 ASSI { 3388} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 33 and name HG )) 4.100 2.100 1.900 peak 3388 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 0.788 ppm2 1.241 CV 1 ASSI { 3392} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 41 and name HN )) 5.200 3.400 0.800 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.76138E-03 ppm1 0.788 ppm2 7.143 CV 1 ASSI { 3392} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 41 and name HN )) 5.200 3.400 0.800 peak 3392 spectrum 1 weight 0.10000E+01 volume 0.76138E-03 ppm1 0.788 ppm2 7.143 CV 1 ASSI { 3416} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 85 and name HA )) 4.300 2.300 1.700 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 0.461 ppm2 5.233 CV 1 ASSI { 3416} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 85 and name HA )) 4.300 2.300 1.700 peak 3416 spectrum 1 weight 0.10000E+01 volume 0.10048E-02 ppm1 0.461 ppm2 5.233 CV 1 ASSI { 3419} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 42 and name HA )) 3.600 1.600 1.600 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 0.461 ppm2 5.060 CV 1 ASSI { 3419} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 42 and name HA )) 3.600 1.600 1.600 peak 3419 spectrum 1 weight 0.10000E+01 volume 0.10675E-02 ppm1 0.461 ppm2 5.060 CV 1 ASSI { 3422} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 111 and name HN )) 4.000 2.000 2.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 0.765 ppm2 9.096 CV 1 ASSI { 3422} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 111 and name HN )) 4.000 2.000 2.000 peak 3422 spectrum 1 weight 0.10000E+01 volume 0.19491E-02 ppm1 0.765 ppm2 9.096 CV 1 ASSI { 3423} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 103 and name HN )) 2.600 0.800 0.800 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.38950E-02 ppm1 0.765 ppm2 8.184 CV 1 ASSI { 3423} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 103 and name HN )) 2.600 0.800 0.800 peak 3423 spectrum 1 weight 0.10000E+01 volume 0.38950E-02 ppm1 0.765 ppm2 8.184 CV 1 ASSI { 3437} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 99 and name HA1 )) 2.500 0.800 0.800 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 0.765 ppm2 3.541 CV 1 OR { 3437} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 99 and name HA2 )) ASSI { 3437} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 99 and name HA1 )) 2.500 0.800 0.800 peak 3437 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 0.765 ppm2 3.541 CV 1 OR { 3437} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 99 and name HA2 )) ASSI { 3456} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 125 and name HD2%) 4.700 2.800 1.300 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.61619E-03 ppm1 1.641 ppm2 0.113 CV 1 ASSI { 3456} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 125 and name HD2%) 4.700 2.800 1.300 peak 3456 spectrum 1 weight 0.10000E+01 volume 0.61619E-03 ppm1 1.641 ppm2 0.113 CV 1 ASSI { 3458} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 29 and name HB3 )) 4.300 2.300 1.700 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.81415E-03 ppm1 1.630 ppm2 2.977 CV 1 ASSI { 3458} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 29 and name HB3 )) 4.300 2.300 1.700 peak 3458 spectrum 1 weight 0.10000E+01 volume 0.81415E-03 ppm1 1.630 ppm2 2.977 CV 1 ASSI { 3459} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 86 and name HG2%) 2.700 0.900 0.900 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 1.630 ppm2 0.851 CV 1 ASSI { 3459} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 86 and name HG2%) 2.700 0.900 0.900 peak 3459 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 1.630 ppm2 0.851 CV 1 ASSI { 3477} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 43 and name HB )) 2.200 0.600 0.600 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.72420E-02 ppm1 0.496 ppm2 1.588 CV 1 ASSI { 3477} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 43 and name HB )) 2.200 0.600 0.600 peak 3477 spectrum 1 weight 0.10000E+01 volume 0.72420E-02 ppm1 0.496 ppm2 1.588 CV 1 ASSI { 3478} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 42 and name HA )) 4.600 2.600 1.400 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 0.496 ppm2 5.060 CV 1 ASSI { 3478} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 42 and name HA )) 4.600 2.600 1.400 peak 3478 spectrum 1 weight 0.10000E+01 volume 0.11820E-02 ppm1 0.496 ppm2 5.060 CV 1 ASSI { 3483} ( segid "A " and resid 95 and name HB% ) ( segid "A " and resid 87 and name HG2%) 2.300 0.700 0.700 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.50176E-02 ppm1 1.150 ppm2 0.807 CV 1 ASSI { 3483} ( segid "B " and resid 95 and name HB% ) ( segid "B " and resid 87 and name HG2%) 2.300 0.700 0.700 peak 3483 spectrum 1 weight 0.10000E+01 volume 0.50176E-02 ppm1 1.150 ppm2 0.807 CV 1 ASSI { 3486} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 112 and name HD21)) 4.500 2.500 1.500 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.61281E-03 ppm1 1.150 ppm2 5.711 CV 1 ASSI { 3486} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 112 and name HD21)) 4.500 2.500 1.500 peak 3486 spectrum 1 weight 0.10000E+01 volume 0.61281E-03 ppm1 1.150 ppm2 5.711 CV 1 ASSI { 3489} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 14 and name HG3 )) 3.600 1.600 1.600 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.13044E-02 ppm1 1.536 ppm2 2.890 CV 1 ASSI { 3489} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 14 and name HG3 )) 3.600 1.600 1.600 peak 3489 spectrum 1 weight 0.10000E+01 volume 0.13044E-02 ppm1 1.536 ppm2 2.890 CV 1 ASSI { 3492} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 14 and name HN )) 2.600 0.800 0.800 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 1.548 ppm2 8.531 CV 1 ASSI { 3492} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 14 and name HN )) 2.600 0.800 0.800 peak 3492 spectrum 1 weight 0.10000E+01 volume 0.61909E-02 ppm1 1.548 ppm2 8.531 CV 1 ASSI { 3499} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 112 and name HD22)) 3.200 1.300 1.300 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 1.150 ppm2 6.448 CV 1 ASSI { 3499} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 112 and name HD22)) 3.200 1.300 1.300 peak 3499 spectrum 1 weight 0.10000E+01 volume 0.10738E-02 ppm1 1.150 ppm2 6.448 CV 1 ASSI { 3504} ( segid "A " and resid 9 and name HB% ) (( segid "A " and resid 8 and name HA )) 4.200 2.200 1.800 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 1.618 ppm2 4.756 CV 1 ASSI { 3504} ( segid "B " and resid 9 and name HB% ) (( segid "B " and resid 8 and name HA )) 4.100 2.100 1.900 peak 3504 spectrum 1 weight 0.10000E+01 volume 0.19178E-02 ppm1 1.618 ppm2 4.756 CV 1 ASSI { 3505} ( segid "A " and resid 9 and name HB% ) (( segid "A " and resid 8 and name HN )) 4.200 2.200 1.800 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 1.618 ppm2 8.575 CV 1 ASSI { 3505} ( segid "B " and resid 9 and name HB% ) (( segid "B " and resid 8 and name HN )) 4.200 2.200 1.800 peak 3505 spectrum 1 weight 0.10000E+01 volume 0.19264E-02 ppm1 1.618 ppm2 8.575 CV 1 ASSI { 3506} ( segid "A " and resid 9 and name HB% ) (( segid "A " and resid 8 and name HB3 )) 3.800 1.800 1.800 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 1.618 ppm2 2.890 CV 1 OR { 3506} ( segid "A " and resid 9 and name HB% ) (( segid "A " and resid 8 and name HB2 )) ASSI { 3506} ( segid "B " and resid 9 and name HB% ) (( segid "B " and resid 8 and name HB3 )) 3.800 1.800 1.800 peak 3506 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 1.618 ppm2 2.890 CV 1 OR { 3506} ( segid "B " and resid 9 and name HB% ) (( segid "B " and resid 8 and name HB2 )) ASSI { 3511} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 45 and name HG1%) 2.500 0.800 0.800 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.62082E-02 ppm1 0.694 ppm2 0.851 CV 1 ASSI { 3511} ( segid "B " and resid 45 and name HG2%) ( segid "B " and resid 45 and name HG1%) 2.500 0.800 0.800 peak 3511 spectrum 1 weight 0.10000E+01 volume 0.62082E-02 ppm1 0.694 ppm2 0.851 CV 1 ASSI { 3526} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 19 and name HB2 )) 3.700 1.700 1.700 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.29216E-02 ppm1 1.501 ppm2 1.849 CV 1 OR { 3526} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 19 and name HB3 )) ASSI { 3526} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 19 and name HB2 )) 3.700 1.700 1.700 peak 3526 spectrum 1 weight 0.10000E+01 volume 0.29216E-02 ppm1 1.501 ppm2 1.849 CV 1 OR { 3526} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 19 and name HB3 )) ASSI { 3529} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 21 and name HA )) 3.600 1.600 1.600 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 1.501 ppm2 4.973 CV 1 ASSI { 3529} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 21 and name HA )) 3.600 1.600 1.600 peak 3529 spectrum 1 weight 0.10000E+01 volume 0.14142E-02 ppm1 1.501 ppm2 4.973 CV 1 ASSI { 3531} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 20 and name HN )) 2.000 0.500 0.500 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.19389E-01 ppm1 1.501 ppm2 7.099 CV 1 ASSI { 3531} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 20 and name HN )) 2.000 0.500 0.500 peak 3531 spectrum 1 weight 0.10000E+01 volume 0.19389E-01 ppm1 1.501 ppm2 7.099 CV 1 ASSI { 3532} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 19 and name HN )) 4.100 2.200 1.900 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.20417E-02 ppm1 1.501 ppm2 8.445 CV 1 ASSI { 3532} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 19 and name HN )) 4.100 2.200 1.900 peak 3532 spectrum 1 weight 0.10000E+01 volume 0.20417E-02 ppm1 1.501 ppm2 8.445 CV 1 ASSI { 3534} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 100 and name HB3 )) 3.300 1.400 1.400 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 1.443 ppm2 2.196 CV 1 ASSI { 3534} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 100 and name HB3 )) 3.300 1.400 1.400 peak 3534 spectrum 1 weight 0.10000E+01 volume 0.14424E-02 ppm1 1.443 ppm2 2.196 CV 1 ASSI { 3536} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 112 and name HD21)) 3.600 1.600 1.600 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.15428E-02 ppm1 1.454 ppm2 5.754 CV 1 ASSI { 3536} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 112 and name HD21)) 3.600 1.600 1.600 peak 3536 spectrum 1 weight 0.10000E+01 volume 0.15428E-02 ppm1 1.454 ppm2 5.754 CV 1 ASSI { 3537} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 100 and name HA )) 4.000 2.000 2.000 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.19836E-02 ppm1 1.443 ppm2 4.062 CV 1 ASSI { 3537} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 100 and name HA )) 4.000 2.000 2.000 peak 3537 spectrum 1 weight 0.10000E+01 volume 0.19836E-02 ppm1 1.443 ppm2 4.062 CV 1 ASSI { 3540} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 112 and name HD22)) 2.900 1.100 1.100 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.16330E-02 ppm1 1.443 ppm2 6.448 CV 1 ASSI { 3540} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 112 and name HD22)) 2.900 1.100 1.100 peak 3540 spectrum 1 weight 0.10000E+01 volume 0.16330E-02 ppm1 1.443 ppm2 6.448 CV 1 ASSI { 3545} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 19 and name HN )) 3.700 1.800 1.800 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 1.454 ppm2 8.445 CV 1 ASSI { 3545} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 19 and name HN )) 3.700 1.700 1.700 peak 3545 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 1.454 ppm2 8.445 CV 1 ASSI { 3547} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 101 and name HN )) 4.600 2.700 1.400 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.55548E-03 ppm1 1.454 ppm2 7.837 CV 1 ASSI { 3547} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 101 and name HN )) 4.600 2.600 1.400 peak 3547 spectrum 1 weight 0.10000E+01 volume 0.55548E-03 ppm1 1.454 ppm2 7.837 CV 1 ASSI { 3549} ( segid "A " and resid 98 and name HB% ) ( segid "A " and resid 45 and name HG2%) 2.700 0.900 0.900 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.60122E-02 ppm1 1.337 ppm2 0.677 CV 1 ASSI { 3549} ( segid "B " and resid 98 and name HB% ) ( segid "B " and resid 45 and name HG2%) 2.700 0.900 0.900 peak 3549 spectrum 1 weight 0.10000E+01 volume 0.60122E-02 ppm1 1.337 ppm2 0.677 CV 1 ASSI { 3566} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 111 and name HA )) 3.700 1.700 1.700 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.74083E-03 ppm1 0.800 ppm2 5.798 CV 1 ASSI { 3566} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 111 and name HA )) 3.700 1.700 1.700 peak 3566 spectrum 1 weight 0.10000E+01 volume 0.74083E-03 ppm1 0.800 ppm2 5.798 CV 1 ASSI { 3571} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 58 and name HA )) 4.200 2.200 1.800 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.19225E-02 ppm1 0.683 ppm2 4.409 CV 1 ASSI { 3571} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 58 and name HA )) 4.200 2.200 1.800 peak 3571 spectrum 1 weight 0.10000E+01 volume 0.19225E-02 ppm1 0.683 ppm2 4.409 CV 1 ASSI { 3575} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 76 and name HG2 )) 3.300 1.400 1.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 1.676 ppm2 1.415 CV 1 ASSI { 3575} ( segid "B " and resid 75 and name HB% ) (( segid "B " and resid 76 and name HG2 )) 3.300 1.400 1.400 peak 3575 spectrum 1 weight 0.10000E+01 volume 0.16880E-02 ppm1 1.676 ppm2 1.415 CV 1 ASSI { 3587} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 76 and name HN )) 2.800 1.000 1.000 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.44184E-02 ppm1 1.676 ppm2 7.490 CV 1 ASSI { 3587} ( segid "B " and resid 75 and name HB% ) (( segid "B " and resid 76 and name HN )) 2.800 1.000 1.000 peak 3587 spectrum 1 weight 0.10000E+01 volume 0.44184E-02 ppm1 1.676 ppm2 7.490 CV 1 ASSI { 3591} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 75 and name HN )) 2.300 0.700 0.700 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.75745E-02 ppm1 1.676 ppm2 8.271 CV 1 ASSI { 3591} ( segid "B " and resid 75 and name HB% ) (( segid "B " and resid 75 and name HN )) 2.300 0.700 0.700 peak 3591 spectrum 1 weight 0.10000E+01 volume 0.75745E-02 ppm1 1.676 ppm2 8.271 CV 1 ASSI { 3594} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 74 and name HN )) 4.600 2.600 1.400 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.86592E-03 ppm1 1.676 ppm2 7.750 CV 1 ASSI { 3594} ( segid "B " and resid 75 and name HB% ) (( segid "B " and resid 74 and name HN )) 4.600 2.600 1.400 peak 3594 spectrum 1 weight 0.10000E+01 volume 0.86592E-03 ppm1 1.676 ppm2 7.750 CV 1 ASSI { 3606} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 85 and name HA )) 3.400 1.500 1.500 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 0.788 ppm2 5.277 CV 1 ASSI { 3606} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 85 and name HA )) 3.400 1.500 1.500 peak 3606 spectrum 1 weight 0.10000E+01 volume 0.20283E-02 ppm1 0.788 ppm2 5.277 CV 1 ASSI { 3609} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 41 and name HN )) 5.400 3.600 0.600 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.67801E-03 ppm1 0.788 ppm2 7.143 CV 1 ASSI { 3609} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 41 and name HN )) 5.400 3.600 0.600 peak 3609 spectrum 1 weight 0.10000E+01 volume 0.67801E-03 ppm1 0.788 ppm2 7.143 CV 1 ASSI { 3610} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 74 and name HD1%) 4.700 2.800 1.300 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.65486E-03 ppm1 0.800 ppm2 -0.061 CV 1 ASSI { 3610} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 74 and name HD1%) 4.700 2.800 1.300 peak 3610 spectrum 1 weight 0.10000E+01 volume 0.65486E-03 ppm1 0.800 ppm2 -0.061 CV 1 ASSI { 3618} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 99 and name HA2 )) 5.100 3.300 0.900 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.21625E-02 ppm1 0.846 ppm2 3.541 CV 1 OR { 3618} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 99 and name HA1 )) ASSI { 3618} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 99 and name HA2 )) 5.100 3.300 0.900 peak 3618 spectrum 1 weight 0.10000E+01 volume 0.21625E-02 ppm1 0.846 ppm2 3.541 CV 1 OR { 3618} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 99 and name HA1 )) ASSI { 3619} ( segid "A " and resid 86 and name HG2%) ( segid "A " and resid 95 and name HB% ) 4.000 2.000 2.000 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.33594E-02 ppm1 0.846 ppm2 1.111 CV 1 ASSI { 3619} ( segid "B " and resid 86 and name HG2%) ( segid "B " and resid 95 and name HB% ) 4.000 2.000 2.000 peak 3619 spectrum 1 weight 0.10000E+01 volume 0.33594E-02 ppm1 0.846 ppm2 1.111 CV 1 ASSI { 3622} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 111 and name HA )) 4.500 2.500 1.500 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.85496E-03 ppm1 0.846 ppm2 5.754 CV 1 ASSI { 3622} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 111 and name HA )) 4.500 2.500 1.500 peak 3622 spectrum 1 weight 0.10000E+01 volume 0.85496E-03 ppm1 0.846 ppm2 5.754 CV 1 ASSI { 3627} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 52 and name HB3 )) 3.200 1.300 1.300 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.33846E-02 ppm1 1.501 ppm2 1.805 CV 1 ASSI { 3627} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 52 and name HB3 )) 3.200 1.300 1.300 peak 3627 spectrum 1 weight 0.10000E+01 volume 0.33846E-02 ppm1 1.501 ppm2 1.805 CV 1 ASSI { 3629} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 52 and name HN )) 4.500 2.500 1.500 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.14236E-02 ppm1 1.501 ppm2 6.926 CV 1 ASSI { 3629} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 52 and name HN )) 4.500 2.500 1.500 peak 3629 spectrum 1 weight 0.10000E+01 volume 0.14236E-02 ppm1 1.501 ppm2 6.926 CV 1 ASSI { 3632} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 54 and name HB3 )) 3.900 1.900 1.900 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.31336E-02 ppm1 1.501 ppm2 2.109 CV 1 ASSI { 3632} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 54 and name HB3 )) 3.900 1.900 1.900 peak 3632 spectrum 1 weight 0.10000E+01 volume 0.31336E-02 ppm1 1.501 ppm2 2.109 CV 1 ASSI { 3633} ( segid "A " and resid 53 and name HB% ) (( segid "A " and resid 53 and name HA )) 2.100 0.600 0.600 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.18707E-01 ppm1 1.501 ppm2 4.235 CV 1 ASSI { 3633} ( segid "B " and resid 53 and name HB% ) (( segid "B " and resid 53 and name HA )) 2.100 0.600 0.600 peak 3633 spectrum 1 weight 0.10000E+01 volume 0.18707E-01 ppm1 1.501 ppm2 4.235 CV 1 ASSI { 3635} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 45 and name HB )) 3.200 1.200 1.200 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 0.882 ppm2 2.326 CV 1 ASSI { 3635} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 45 and name HB )) 3.200 1.200 1.200 peak 3635 spectrum 1 weight 0.10000E+01 volume 0.12581E-02 ppm1 0.882 ppm2 2.326 CV 1 ASSI { 3636} ( segid "A " and resid 45 and name HG1%) ( segid "A " and resid 43 and name HG2%) 2.600 0.800 0.800 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.58538E-02 ppm1 0.882 ppm2 0.503 CV 1 ASSI { 3636} ( segid "B " and resid 45 and name HG1%) ( segid "B " and resid 43 and name HG2%) 2.600 0.800 0.800 peak 3636 spectrum 1 weight 0.10000E+01 volume 0.58538E-02 ppm1 0.882 ppm2 0.503 CV 1 ASSI { 3653} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 7 and name HB3 )) 5.300 3.500 0.700 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.60246E-03 ppm1 0.507 ppm2 3.411 CV 1 ASSI { 3653} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 7 and name HB3 )) 5.300 3.500 0.700 peak 3653 spectrum 1 weight 0.10000E+01 volume 0.60246E-03 ppm1 0.507 ppm2 3.411 CV 1 ASSI { 3662} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 23 and name HN )) 2.400 0.700 0.700 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.72082E-02 ppm1 0.835 ppm2 7.664 CV 1 ASSI { 3662} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 23 and name HN )) 2.400 0.700 0.700 peak 3662 spectrum 1 weight 0.10000E+01 volume 0.72082E-02 ppm1 0.835 ppm2 7.664 CV 1 ASSI { 3666} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 23 and name HB )) 2.200 0.600 0.600 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.11946E-01 ppm1 0.835 ppm2 2.066 CV 1 ASSI { 3666} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 23 and name HB )) 2.200 0.600 0.600 peak 3666 spectrum 1 weight 0.10000E+01 volume 0.11946E-01 ppm1 0.835 ppm2 2.066 CV 1 ASSI { 3671} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 113 and name HN )) 4.700 2.700 1.300 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.10471E-02 ppm1 0.858 ppm2 7.230 CV 1 ASSI { 3671} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 113 and name HN )) 4.700 2.700 1.300 peak 3671 spectrum 1 weight 0.10000E+01 volume 0.10471E-02 ppm1 0.858 ppm2 7.230 CV 1 ASSI { 3673} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 42 and name HA )) 4.300 2.400 1.700 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 0.858 ppm2 5.060 CV 1 ASSI { 3673} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 42 and name HA )) 4.300 2.400 1.700 peak 3673 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 0.858 ppm2 5.060 CV 1 ASSI { 3674} ( segid "A " and resid 87 and name HG1%) ( segid "A " and resid 111 and name HD% ) 4.200 2.200 1.800 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.16370E-02 ppm1 0.858 ppm2 6.969 CV 1 ASSI { 3674} ( segid "B " and resid 87 and name HG1%) ( segid "B " and resid 111 and name HD% ) 4.200 2.200 1.800 peak 3674 spectrum 1 weight 0.10000E+01 volume 0.16370E-02 ppm1 0.858 ppm2 6.969 CV 1 ASSI { 3675} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 111 and name HB2 )) 4.200 2.200 1.800 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 0.846 ppm2 2.890 CV 1 ASSI { 3675} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 111 and name HB2 )) 4.200 2.200 1.800 peak 3675 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 0.846 ppm2 2.890 CV 1 ASSI { 3677} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 112 and name HA )) 4.800 2.900 1.200 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.85103E-03 ppm1 0.870 ppm2 5.407 CV 1 ASSI { 3677} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 112 and name HA )) 4.800 2.900 1.200 peak 3677 spectrum 1 weight 0.10000E+01 volume 0.85103E-03 ppm1 0.870 ppm2 5.407 CV 1 ASSI { 3679} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 87 and name HN )) 2.900 1.000 1.000 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.43163E-02 ppm1 0.858 ppm2 9.139 CV 1 ASSI { 3679} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 87 and name HN )) 2.900 1.000 1.000 peak 3679 spectrum 1 weight 0.10000E+01 volume 0.43163E-02 ppm1 0.858 ppm2 9.139 CV 1 ASSI { 3688} ( segid "A " and resid 87 and name HG2%) ( segid "A " and resid 111 and name HD% ) 4.700 2.800 1.300 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 0.788 ppm2 6.969 CV 1 ASSI { 3688} ( segid "B " and resid 87 and name HG2%) ( segid "B " and resid 111 and name HD% ) 4.600 2.600 1.400 peak 3688 spectrum 1 weight 0.10000E+01 volume 0.16762E-02 ppm1 0.788 ppm2 6.969 CV 1 ASSI { 3726} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 24 and name HN )) 3.100 1.200 1.200 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.44959E-02 ppm1 1.092 ppm2 8.835 CV 1 ASSI { 3726} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 24 and name HN )) 3.100 1.200 1.200 peak 3726 spectrum 1 weight 0.10000E+01 volume 0.44959E-02 ppm1 1.092 ppm2 8.835 CV 1 ASSI { 3727} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 16 and name HN )) 3.200 1.300 1.300 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.788 ppm2 7.837 CV 1 ASSI { 3727} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 16 and name HN )) 3.200 1.300 1.300 peak 3727 spectrum 1 weight 0.10000E+01 volume 0.16181E-02 ppm1 0.788 ppm2 7.837 CV 1 ASSI { 3730} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HB3 )) 4.100 2.100 1.900 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.34715E-02 ppm1 0.823 ppm2 1.458 CV 1 ASSI { 3730} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HB3 )) 4.100 2.100 1.900 peak 3730 spectrum 1 weight 0.10000E+01 volume 0.34715E-02 ppm1 0.823 ppm2 1.458 CV 1 ASSI { 3734} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 41 and name HN )) 3.800 1.800 1.800 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 0.835 ppm2 7.143 CV 1 ASSI { 3734} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 41 and name HN )) 3.800 1.800 1.800 peak 3734 spectrum 1 weight 0.10000E+01 volume 0.11326E-02 ppm1 0.835 ppm2 7.143 CV 1 ASSI { 3738} ( segid "A " and resid 41 and name HG2%) ( segid "A " and resid 43 and name HD1%) 4.100 2.100 1.900 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.33657E-02 ppm1 0.823 ppm2 0.460 CV 1 ASSI { 3738} ( segid "B " and resid 41 and name HG2%) ( segid "B " and resid 43 and name HD1%) 4.100 2.100 1.900 peak 3738 spectrum 1 weight 0.10000E+01 volume 0.33657E-02 ppm1 0.823 ppm2 0.460 CV 1 ASSI { 3739} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 61 and name HA )) 3.900 1.900 1.900 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 0.823 ppm2 4.930 CV 1 ASSI { 3739} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 61 and name HA )) 3.900 1.900 1.900 peak 3739 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 0.823 ppm2 4.930 CV 1 ASSI { 3752} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 84 and name HB3 )) 4.000 2.000 2.000 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 1.045 ppm2 2.456 CV 1 ASSI { 3752} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 84 and name HB3 )) 4.000 2.000 2.000 peak 3752 spectrum 1 weight 0.10000E+01 volume 0.19821E-02 ppm1 1.045 ppm2 2.456 CV 1 ASSI { 3775} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 102 and name HG )) 2.400 0.700 0.700 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.32991E-02 ppm1 -0.089 ppm2 1.588 CV 1 ASSI { 3775} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 102 and name HG )) 2.400 0.700 0.700 peak 3775 spectrum 1 weight 0.10000E+01 volume 0.32991E-02 ppm1 -0.089 ppm2 1.588 CV 1 ASSI { 3784} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 31 and name HA )) 3.600 1.600 1.600 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.17954E-02 ppm1 1.010 ppm2 4.105 CV 1 ASSI { 3784} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 31 and name HA )) 3.600 1.600 1.600 peak 3784 spectrum 1 weight 0.10000E+01 volume 0.17954E-02 ppm1 1.010 ppm2 4.105 CV 1 ASSI { 3787} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 120 and name HZ2 )) 2.300 0.700 0.700 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.77275E-02 ppm1 1.010 ppm2 7.056 CV 1 ASSI { 3787} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 120 and name HZ2 )) 2.300 0.700 0.700 peak 3787 spectrum 1 weight 0.10000E+01 volume 0.77275E-02 ppm1 1.010 ppm2 7.056 CV 1 ASSI { 3791} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 61 and name HN )) 5.100 3.200 0.900 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.77023E-03 ppm1 1.010 ppm2 9.269 CV 1 ASSI { 3791} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 61 and name HN )) 5.100 3.200 0.900 peak 3791 spectrum 1 weight 0.10000E+01 volume 0.77023E-03 ppm1 1.010 ppm2 9.269 CV 1 ASSI { 3793} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 120 and name HE1 )) 4.200 2.200 1.800 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 1.010 ppm2 9.790 CV 1 ASSI { 3793} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 120 and name HE1 )) 4.200 2.200 1.800 peak 3793 spectrum 1 weight 0.10000E+01 volume 0.73595E-03 ppm1 1.010 ppm2 9.790 CV 1 ASSI { 3800} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 121 and name HG )) 2.500 0.800 0.800 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.48435E-02 ppm1 0.998 ppm2 1.805 CV 1 ASSI { 3800} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 121 and name HG )) 2.500 0.800 0.800 peak 3800 spectrum 1 weight 0.10000E+01 volume 0.48435E-02 ppm1 0.998 ppm2 1.805 CV 1 ASSI { 3802} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 124 and name HN )) 3.800 1.800 1.800 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 0.998 ppm2 7.794 CV 1 ASSI { 3802} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 124 and name HN )) 3.800 1.800 1.800 peak 3802 spectrum 1 weight 0.10000E+01 volume 0.14479E-02 ppm1 0.998 ppm2 7.794 CV 1 ASSI { 3803} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 121 and name HA )) 2.300 0.600 0.600 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.72929E-02 ppm1 0.998 ppm2 4.279 CV 1 ASSI { 3803} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 121 and name HA )) 2.300 0.600 0.600 peak 3803 spectrum 1 weight 0.10000E+01 volume 0.72929E-02 ppm1 0.998 ppm2 4.279 CV 1 ASSI { 3808} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 121 and name HB2 )) 3.400 1.400 1.400 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.41014E-02 ppm1 0.998 ppm2 1.502 CV 1 ASSI { 3808} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 121 and name HB2 )) 3.400 1.400 1.400 peak 3808 spectrum 1 weight 0.10000E+01 volume 0.41014E-02 ppm1 0.998 ppm2 1.502 CV 1 ASSI { 3810} ( segid "A " and resid 73 and name HD2%) (( segid "A " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.36833E-02 ppm1 0.835 ppm2 1.111 CV 1 ASSI { 3810} ( segid "B " and resid 73 and name HD2%) (( segid "B " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 3810 spectrum 1 weight 0.10000E+01 volume 0.36833E-02 ppm1 0.835 ppm2 1.111 CV 1 ASSI { 3836} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 74 and name HD1%) 2.100 0.600 0.600 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.11287E-01 ppm1 0.168 ppm2 -0.061 CV 1 ASSI { 3836} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 74 and name HD1%) 2.100 0.600 0.600 peak 3836 spectrum 1 weight 0.10000E+01 volume 0.11287E-01 ppm1 0.168 ppm2 -0.061 CV 1 ASSI { 3840} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HA )) 3.400 1.500 1.500 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.41680E-02 ppm1 0.168 ppm2 3.498 CV 1 ASSI { 3840} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HA )) 3.400 1.500 1.500 peak 3840 spectrum 1 weight 0.10000E+01 volume 0.41680E-02 ppm1 0.168 ppm2 3.498 CV 1 ASSI { 3841} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 26 and name HA )) 4.700 2.700 1.300 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.85260E-03 ppm1 0.952 ppm2 4.713 CV 1 ASSI { 3841} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 26 and name HA )) 4.700 2.700 1.300 peak 3841 spectrum 1 weight 0.10000E+01 volume 0.85260E-03 ppm1 0.952 ppm2 4.713 CV 1 ASSI { 3842} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 30 and name HA )) 4.800 2.800 1.200 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.64332E-03 ppm1 0.963 ppm2 3.975 CV 1 ASSI { 3842} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 30 and name HA )) 4.800 2.800 1.200 peak 3842 spectrum 1 weight 0.10000E+01 volume 0.64332E-03 ppm1 0.963 ppm2 3.975 CV 1 ASSI { 3850} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 25 and name HB3 )) 2.500 0.800 0.800 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.66677E-02 ppm1 0.952 ppm2 1.805 CV 1 ASSI { 3850} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 25 and name HB3 )) 2.500 0.800 0.800 peak 3850 spectrum 1 weight 0.10000E+01 volume 0.66677E-02 ppm1 0.952 ppm2 1.805 CV 1 ASSI { 3851} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 29 and name HB2 )) 3.200 1.300 1.300 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.14166E-02 ppm1 0.952 ppm2 2.586 CV 1 ASSI { 3851} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 29 and name HB2 )) 3.200 1.300 1.300 peak 3851 spectrum 1 weight 0.10000E+01 volume 0.14166E-02 ppm1 0.952 ppm2 2.586 CV 1 ASSI { 3866} ( segid "A " and resid 125 and name HD2%) ( segid "A " and resid 125 and name HD1%) 1.900 0.400 0.400 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.26417E-01 ppm1 0.122 ppm2 -0.191 CV 1 ASSI { 3866} ( segid "B " and resid 125 and name HD2%) ( segid "B " and resid 125 and name HD1%) 1.900 0.400 0.400 peak 3866 spectrum 1 weight 0.10000E+01 volume 0.26417E-01 ppm1 0.122 ppm2 -0.191 CV 1 ASSI { 3873} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 56 and name HE3 )) 4.900 3.000 1.100 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.70758E-03 ppm1 0.706 ppm2 2.630 CV 1 ASSI { 3873} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 56 and name HE3 )) 4.900 3.000 1.100 peak 3873 spectrum 1 weight 0.10000E+01 volume 0.70758E-03 ppm1 0.706 ppm2 2.630 CV 1 ASSI { 3876} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 125 and name HA )) 2.100 0.500 0.500 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.11420E-01 ppm1 0.122 ppm2 3.845 CV 1 ASSI { 3876} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 125 and name HA )) 2.100 0.500 0.500 peak 3876 spectrum 1 weight 0.10000E+01 volume 0.11420E-01 ppm1 0.122 ppm2 3.845 CV 1 ASSI { 3878} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 40 and name HA )) 3.600 1.600 1.600 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 1.069 ppm2 4.279 CV 1 ASSI { 3878} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 40 and name HA )) 3.600 1.600 1.600 peak 3878 spectrum 1 weight 0.10000E+01 volume 0.14848E-02 ppm1 1.069 ppm2 4.279 CV 1 ASSI { 3887} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 120 and name HE1 )) 4.500 2.500 1.500 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.87299E-03 ppm1 0.133 ppm2 9.833 CV 1 ASSI { 3887} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 120 and name HE1 )) 4.500 2.500 1.500 peak 3887 spectrum 1 weight 0.10000E+01 volume 0.87299E-03 ppm1 0.133 ppm2 9.833 CV 1 ASSI { 3889} ( segid "A " and resid 128 and name HD2%) (( segid "A " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.22425E-02 ppm1 0.706 ppm2 2.803 CV 1 ASSI { 3889} ( segid "B " and resid 128 and name HD2%) (( segid "B " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 3889 spectrum 1 weight 0.10000E+01 volume 0.22425E-02 ppm1 0.706 ppm2 2.803 CV 1 ASSI { 3892} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 126 and name HD2 )) 2.700 0.900 0.900 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.28496E-02 ppm1 0.122 ppm2 2.500 CV 1 ASSI { 3892} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 126 and name HD2 )) 2.700 0.900 0.900 peak 3892 spectrum 1 weight 0.10000E+01 volume 0.28496E-02 ppm1 0.122 ppm2 2.500 CV 1 ASSI { 3894} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 125 and name HB3 )) 3.500 1.500 1.500 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.12652E-02 ppm1 0.122 ppm2 2.239 CV 1 OR { 3894} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 125 and name HB2 )) ASSI { 3894} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 125 and name HB3 )) 3.500 1.500 1.500 peak 3894 spectrum 1 weight 0.10000E+01 volume 0.12652E-02 ppm1 0.122 ppm2 2.239 CV 1 OR { 3894} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 125 and name HB2 )) ASSI { 3897} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 125 and name HN )) 3.500 1.600 1.600 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.38652E-02 ppm1 0.122 ppm2 7.316 CV 1 ASSI { 3897} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 125 and name HN )) 3.500 1.600 1.600 peak 3897 spectrum 1 weight 0.10000E+01 volume 0.38652E-02 ppm1 0.122 ppm2 7.316 CV 1 ASSI { 3900} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 87 and name HN )) 3.300 1.300 1.300 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.42497E-02 ppm1 0.765 ppm2 9.139 CV 1 ASSI { 3900} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 87 and name HN )) 3.300 1.300 1.300 peak 3900 spectrum 1 weight 0.10000E+01 volume 0.42497E-02 ppm1 0.765 ppm2 9.139 CV 1 ASSI { 3923} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 29 and name HB3 )) 4.200 2.200 1.800 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.94358E-03 ppm1 0.578 ppm2 2.934 CV 1 ASSI { 3923} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 29 and name HB3 )) 4.200 2.200 1.800 peak 3923 spectrum 1 weight 0.10000E+01 volume 0.94358E-03 ppm1 0.578 ppm2 2.934 CV 1 ASSI { 3931} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HG )) 2.400 0.700 0.700 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.42324E-02 ppm1 0.554 ppm2 0.981 CV 1 ASSI { 3931} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 70 and name HG )) 2.400 0.700 0.700 peak 3931 spectrum 1 weight 0.10000E+01 volume 0.42324E-02 ppm1 0.554 ppm2 0.981 CV 1 ASSI { 3935} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 74 and name HD2%) 2.800 1.000 1.000 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.34983E-02 ppm1 0.566 ppm2 0.156 CV 1 ASSI { 3935} ( segid "B " and resid 70 and name HD1%) ( segid "B " and resid 74 and name HD2%) 2.800 1.000 1.000 peak 3935 spectrum 1 weight 0.10000E+01 volume 0.34983E-02 ppm1 0.566 ppm2 0.156 CV 1 ASSI { 3938} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HN )) 4.600 2.600 1.400 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.14346E-02 ppm1 0.566 ppm2 7.273 CV 1 ASSI { 3938} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 70 and name HN )) 4.600 2.600 1.400 peak 3938 spectrum 1 weight 0.10000E+01 volume 0.14346E-02 ppm1 0.566 ppm2 7.273 CV 1 ASSI { 3940} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 56 and name HG2 )) 2.700 0.900 0.900 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 0.250 ppm2 0.937 CV 1 ASSI { 3940} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 56 and name HG2 )) 2.700 0.900 0.900 peak 3940 spectrum 1 weight 0.10000E+01 volume 0.12267E-02 ppm1 0.250 ppm2 0.937 CV 1 ASSI { 3951} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 51 and name HN )) 3.900 1.900 1.900 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.32111E-02 ppm1 0.262 ppm2 6.882 CV 1 ASSI { 3951} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 51 and name HN )) 3.900 1.900 1.900 peak 3951 spectrum 1 weight 0.10000E+01 volume 0.32111E-02 ppm1 0.262 ppm2 6.882 CV 1 ASSI { 3954} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 0.262 ppm2 2.977 CV 1 ASSI { 3954} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 64 and name HB2 )) 3.200 1.300 1.300 peak 3954 spectrum 1 weight 0.10000E+01 volume 0.15366E-02 ppm1 0.262 ppm2 2.977 CV 1 ASSI { 3955} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 35 and name HN )) 4.000 2.000 2.000 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.17915E-02 ppm1 0.776 ppm2 8.011 CV 1 ASSI { 3955} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 35 and name HN )) 4.000 2.000 2.000 peak 3955 spectrum 1 weight 0.10000E+01 volume 0.17915E-02 ppm1 0.776 ppm2 8.011 CV 1 ASSI { 3958} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 56 and name HE3 )) 4.100 2.100 1.900 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.22888E-02 ppm1 0.262 ppm2 2.630 CV 1 ASSI { 3958} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 56 and name HE3 )) 4.100 2.100 1.900 peak 3958 spectrum 1 weight 0.10000E+01 volume 0.22888E-02 ppm1 0.262 ppm2 2.630 CV 1 ASSI { 3959} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 46 and name HN )) 3.800 1.800 1.800 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 0.262 ppm2 7.620 CV 1 ASSI { 3959} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 46 and name HN )) 3.800 1.800 1.800 peak 3959 spectrum 1 weight 0.10000E+01 volume 0.12495E-02 ppm1 0.262 ppm2 7.620 CV 1 ASSI { 3970} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 46 and name HN )) 3.000 1.200 1.200 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 0.355 ppm2 7.620 CV 1 ASSI { 3970} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 46 and name HN )) 3.000 1.200 1.200 peak 3970 spectrum 1 weight 0.10000E+01 volume 0.26590E-02 ppm1 0.355 ppm2 7.620 CV 1 ASSI { 3988} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 51 and name HN )) 2.300 0.700 0.700 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.49383E-02 ppm1 0.355 ppm2 6.882 CV 1 ASSI { 3988} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 51 and name HN )) 2.300 0.700 0.700 peak 3988 spectrum 1 weight 0.10000E+01 volume 0.49383E-02 ppm1 0.355 ppm2 6.882 CV 1 ASSI { 3993} ( segid "A " and resid 97 and name HD1%) ( segid "B " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 1.022 ppm2 7.360 CV 1 ASSI { 3993} ( segid "B " and resid 97 and name HD1%) ( segid "A " and resid 11 and name HD% ) 3.700 1.700 1.700 peak 3993 spectrum 1 weight 0.10000E+01 volume 0.19499E-02 ppm1 1.022 ppm2 7.360 CV 1 ASSI { 4001} ( segid "A " and resid 74 and name HD1%) (( segid "B " and resid 11 and name HB2 )) 3.700 1.700 1.700 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.24417E-02 ppm1 -0.065 ppm2 3.367 CV 1 ASSI { 4001} ( segid "B " and resid 74 and name HD1%) (( segid "A " and resid 11 and name HB2 )) 3.700 1.700 1.700 peak 4001 spectrum 1 weight 0.10000E+01 volume 0.24417E-02 ppm1 -0.065 ppm2 3.367 CV 1 ASSI { 4005} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 102 and name HG )) 3.100 1.200 1.200 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.30873E-02 ppm1 -0.065 ppm2 1.545 CV 1 ASSI { 4005} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 102 and name HG )) 3.100 1.200 1.200 peak 4005 spectrum 1 weight 0.10000E+01 volume 0.30873E-02 ppm1 -0.065 ppm2 1.545 CV 1 ASSI { 4006} ( segid "A " and resid 74 and name HD1%) (( segid "B " and resid 11 and name HZ )) 4.000 2.000 2.000 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 -0.065 ppm2 7.013 CV 1 ASSI { 4006} ( segid "B " and resid 74 and name HD1%) (( segid "A " and resid 11 and name HZ )) 4.000 2.000 2.000 peak 4006 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 -0.065 ppm2 7.013 CV 1 ASSI { 4010} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HA )) 4.300 2.300 1.700 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.94751E-03 ppm1 -0.194 ppm2 4.583 CV 1 ASSI { 4010} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HA )) 4.300 2.300 1.700 peak 4010 spectrum 1 weight 0.10000E+01 volume 0.94751E-03 ppm1 -0.194 ppm2 4.583 CV 1 ASSI { 4014} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HG2 )) 4.000 2.000 2.000 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 -0.194 ppm2 2.022 CV 1 ASSI { 4014} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HG2 )) 4.000 2.000 2.000 peak 4014 spectrum 1 weight 0.10000E+01 volume 0.12134E-02 ppm1 -0.194 ppm2 2.022 CV 1 ASSI { 4015} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HB3 )) 2.900 1.000 1.000 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 -0.194 ppm2 2.239 CV 1 OR { 4015} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HB2 )) ASSI { 4015} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 125 and name HB3 )) 2.900 1.000 1.000 peak 4015 spectrum 1 weight 0.10000E+01 volume 0.22205E-02 ppm1 -0.194 ppm2 2.239 CV 1 OR { 4015} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 125 and name HB2 )) ASSI { 4016} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HZ3 )) 3.200 1.200 1.200 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 -0.194 ppm2 7.056 CV 1 OR { 4016} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HZ2 )) ASSI { 4016} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HZ3 )) 3.200 1.200 1.200 peak 4016 spectrum 1 weight 0.10000E+01 volume 0.23358E-02 ppm1 -0.194 ppm2 7.056 CV 1 OR { 4016} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HZ2 )) ASSI { 4018} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 125 and name HG )) 2.300 0.600 0.600 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.56529E-02 ppm1 -0.194 ppm2 0.677 CV 1 ASSI { 4018} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 125 and name HG )) 2.300 0.600 0.600 peak 4018 spectrum 1 weight 0.10000E+01 volume 0.56529E-02 ppm1 -0.194 ppm2 0.677 CV 1 ASSI { 4028} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 128 and name HB2 )) 1.800 0.400 0.400 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.15091E-01 ppm1 0.659 ppm2 1.328 CV 1 ASSI { 4028} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 128 and name HB2 )) 1.800 0.400 0.400 peak 4028 spectrum 1 weight 0.10000E+01 volume 0.15091E-01 ppm1 0.659 ppm2 1.328 CV 1 ASSI { 4035} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 59 and name HN )) 3.900 1.900 1.900 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.20158E-02 ppm1 0.659 ppm2 6.882 CV 1 ASSI { 4035} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 59 and name HN )) 3.900 1.900 1.900 peak 4035 spectrum 1 weight 0.10000E+01 volume 0.20158E-02 ppm1 0.659 ppm2 6.882 CV 1 ASSI { 4036} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 128 and name HN )) 3.700 1.700 1.700 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.19021E-02 ppm1 0.659 ppm2 9.052 CV 1 ASSI { 4036} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 128 and name HN )) 3.700 1.700 1.700 peak 4036 spectrum 1 weight 0.10000E+01 volume 0.19021E-02 ppm1 0.659 ppm2 9.052 CV 1 ASSI { 4037} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 42 and name HB3 )) 2.700 0.900 0.900 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 0.379 ppm2 1.675 CV 1 ASSI { 4037} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 42 and name HB3 )) 2.700 0.900 0.900 peak 4037 spectrum 1 weight 0.10000E+01 volume 0.12150E-02 ppm1 0.379 ppm2 1.675 CV 1 ASSI { 4038} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 42 and name HA )) 3.800 1.800 1.800 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 0.391 ppm2 5.060 CV 1 ASSI { 4038} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 42 and name HA )) 3.800 1.800 1.800 peak 4038 spectrum 1 weight 0.10000E+01 volume 0.27759E-02 ppm1 0.391 ppm2 5.060 CV 1 ASSI { 4050} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 42 and name HG )) 2.400 0.700 0.700 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.40716E-02 ppm1 0.391 ppm2 1.328 CV 1 ASSI { 4050} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 42 and name HG )) 2.400 0.700 0.700 peak 4050 spectrum 1 weight 0.10000E+01 volume 0.40716E-02 ppm1 0.391 ppm2 1.328 CV 1 ASSI { 4055} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 42 and name HA )) 3.000 1.100 1.100 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 0.274 ppm2 5.060 CV 1 ASSI { 4055} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 42 and name HA )) 3.000 1.100 1.100 peak 4055 spectrum 1 weight 0.10000E+01 volume 0.15530E-02 ppm1 0.274 ppm2 5.060 CV 1 ASSI { 4056} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 42 and name HN )) 4.400 2.400 1.600 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.95300E-03 ppm1 0.274 ppm2 8.488 CV 1 ASSI { 4056} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 42 and name HN )) 4.400 2.400 1.600 peak 4056 spectrum 1 weight 0.10000E+01 volume 0.95300E-03 ppm1 0.274 ppm2 8.488 CV 1 ASSI { 4061} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 42 and name HB2 )) 2.500 0.800 0.800 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.16707E-02 ppm1 0.274 ppm2 1.502 CV 1 ASSI { 4061} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 42 and name HB2 )) 2.500 0.800 0.800 peak 4061 spectrum 1 weight 0.10000E+01 volume 0.16707E-02 ppm1 0.274 ppm2 1.502 CV 1 ASSI { 4071} ( segid "A " and resid 33 and name HD2%) (( segid "A " and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 0.075 ppm2 1.458 CV 1 ASSI { 4071} ( segid "B " and resid 33 and name HD2%) (( segid "B " and resid 33 and name HB2 )) 3.400 1.400 1.400 peak 4071 spectrum 1 weight 0.10000E+01 volume 0.18119E-02 ppm1 0.075 ppm2 1.458 CV 1 ASSI { 4072} ( segid "A " and resid 33 and name HD2%) ( segid "A " and resid 25 and name HD1%) 2.100 0.600 0.600 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 0.075 ppm2 0.590 CV 1 ASSI { 4072} ( segid "B " and resid 33 and name HD2%) ( segid "B " and resid 25 and name HD1%) 2.100 0.600 0.600 peak 4072 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 0.075 ppm2 0.590 CV 1 ASSI { 4079} ( segid "A " and resid 102 and name HD1%) (( segid "A " and resid 102 and name HB3 )) 3.200 1.300 1.300 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 0.180 ppm2 1.762 CV 1 ASSI { 4079} ( segid "B " and resid 102 and name HD1%) (( segid "B " and resid 102 and name HB3 )) 3.200 1.300 1.300 peak 4079 spectrum 1 weight 0.10000E+01 volume 0.13546E-02 ppm1 0.180 ppm2 1.762 CV 1 ASSI { 4083} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 121 and name HN )) 4.500 2.600 1.500 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.045 ppm2 8.575 CV 1 ASSI { 4083} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 121 and name HN )) 4.500 2.600 1.500 peak 4083 spectrum 1 weight 0.10000E+01 volume 0.12244E-02 ppm1 1.045 ppm2 8.575 CV 1 ASSI { 4094} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 76 and name HG2 )) 3.600 1.700 1.700 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.36622E-02 ppm1 0.648 ppm2 1.371 CV 1 ASSI { 4094} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 76 and name HG2 )) 3.600 1.700 1.700 peak 4094 spectrum 1 weight 0.10000E+01 volume 0.36622E-02 ppm1 0.648 ppm2 1.371 CV 1 ASSI { 4110} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 25 and name HB3 )) 2.400 0.700 0.700 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.35067E-02 ppm1 0.589 ppm2 1.805 CV 1 ASSI { 4110} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 25 and name HB3 )) 2.400 0.700 0.700 peak 4110 spectrum 1 weight 0.10000E+01 volume 0.35067E-02 ppm1 0.589 ppm2 1.805 CV 1 ASSI { 4113} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.14769E-02 ppm1 0.671 ppm2 1.111 CV 1 ASSI { 4113} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 73 and name HB2 )) 4.100 2.100 1.900 peak 4113 spectrum 1 weight 0.10000E+01 volume 0.14769E-02 ppm1 0.671 ppm2 1.111 CV 1 ASSI { 4114} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 30 and name HA )) 2.700 0.900 0.900 peak 4114 spectrum 1 weight 0.10000E+01 volume 0.22119E-02 ppm1 0.589 ppm2 3.975 CV 1 ASSI { 4123} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 35 and name HN )) 4.700 2.800 1.300 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 0.952 ppm2 8.011 CV 1 ASSI { 4123} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 35 and name HN )) 4.700 2.800 1.300 peak 4123 spectrum 1 weight 0.10000E+01 volume 0.71684E-03 ppm1 0.952 ppm2 8.011 CV 1 ASSI { 3880} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 110 and name HA )) 4.700 2.700 1.300 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.64741E-03 ppm1 1.057 ppm2 4.539 CV 1 ASSI { 3967} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 16 and name HN )) 3.900 1.900 1.900 peak 3967 spectrum 1 weight 0.10000E+01 volume 0.18636E-02 ppm1 0.461 ppm2 7.837 CV 1 ASSI { 4091} ( segid "B " and resid 70 and name HD2%) ( segid "B " and resid 101 and name HG2%) 3.800 1.800 1.800 peak 4091 spectrum 1 weight 0.10000E+01 volume 0.24464E-02 ppm1 0.648 ppm2 1.198 CV 1 ASSI { 4137} (( segid "A " and resid 88 and name HB3 )) (( segid "A " and resid 88 and name HA )) 3.900 1.900 1.900 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 2.842 ppm2 5.488 CV 1 ASSI { 4137} (( segid "B " and resid 88 and name HB3 )) (( segid "B " and resid 88 and name HA )) 3.900 1.900 1.900 peak 4137 spectrum 1 weight 0.10000E+01 volume 0.44098E-03 ppm1 2.842 ppm2 5.488 CV 1 ASSI { 4138} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 88 and name HA )) 5.300 3.500 0.700 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.23998E-03 ppm1 0.376 ppm2 5.488 CV 1 ASSI { 4138} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 88 and name HA )) 5.300 3.500 0.700 peak 4138 spectrum 1 weight 0.10000E+01 volume 0.23998E-03 ppm1 0.376 ppm2 5.488 CV 1 ASSI { 4145} ( segid "A " and resid 111 and name HD% ) (( segid "A " and resid 111 and name HA )) 3.100 1.200 1.200 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 6.982 ppm2 5.775 CV 1 ASSI { 4145} ( segid "B " and resid 111 and name HD% ) (( segid "B " and resid 111 and name HA )) 3.100 1.200 1.200 peak 4145 spectrum 1 weight 0.10000E+01 volume 0.18699E-02 ppm1 6.982 ppm2 5.775 CV 1 ASSI { 4149} (( segid "A " and resid 23 and name HB )) (( segid "A " and resid 111 and name HA )) 2.800 0.900 0.900 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.18445E-02 ppm1 2.054 ppm2 5.775 CV 1 ASSI { 4149} (( segid "B " and resid 23 and name HB )) (( segid "B " and resid 111 and name HA )) 2.800 0.900 0.900 peak 4149 spectrum 1 weight 0.10000E+01 volume 0.18445E-02 ppm1 2.054 ppm2 5.775 CV 1 ASSI { 4153} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 111 and name HA )) 5.000 3.200 1.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.24649E-03 ppm1 5.222 ppm2 5.775 CV 1 ASSI { 4153} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 111 and name HA )) 5.000 3.200 1.000 peak 4153 spectrum 1 weight 0.10000E+01 volume 0.24649E-03 ppm1 5.222 ppm2 5.775 CV 1 ASSI { 4154} (( segid "A " and resid 111 and name HB3 )) (( segid "A " and resid 111 and name HA )) 2.900 1.100 1.100 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.72082E-03 ppm1 3.005 ppm2 5.775 CV 1 ASSI { 4154} (( segid "B " and resid 111 and name HB3 )) (( segid "B " and resid 111 and name HA )) 2.900 1.100 1.100 peak 4154 spectrum 1 weight 0.10000E+01 volume 0.72082E-03 ppm1 3.005 ppm2 5.775 CV 1 ASSI { 4155} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 111 and name HA )) 5.400 3.600 0.600 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.27470E-03 ppm1 0.579 ppm2 5.775 CV 1 ASSI { 4155} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 111 and name HA )) 5.400 3.600 0.600 peak 4155 spectrum 1 weight 0.10000E+01 volume 0.27470E-03 ppm1 0.579 ppm2 5.775 CV 1 ASSI { 4162} (( segid "A " and resid 57 and name HG2 )) ( segid "A " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.32923E-03 ppm1 0.183 ppm2 6.527 CV 1 ASSI { 4162} (( segid "B " and resid 57 and name HG2 )) ( segid "B " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4162 spectrum 1 weight 0.10000E+01 volume 0.32923E-03 ppm1 0.183 ppm2 6.527 CV 1 ASSI { 4163} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 62 and name HE% ) 4.800 2.900 1.200 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.26978E-03 ppm1 0.996 ppm2 6.527 CV 1 ASSI { 4163} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 62 and name HE% ) 4.800 2.900 1.200 peak 4163 spectrum 1 weight 0.10000E+01 volume 0.26978E-03 ppm1 0.996 ppm2 6.527 CV 1 ASSI { 4164} (( segid "A " and resid 64 and name HB3 )) ( segid "A " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.36224E-02 ppm1 3.285 ppm2 6.527 CV 1 ASSI { 4164} (( segid "B " and resid 64 and name HB3 )) ( segid "B " and resid 62 and name HE% ) 3.400 1.500 1.500 peak 4164 spectrum 1 weight 0.10000E+01 volume 0.36224E-02 ppm1 3.285 ppm2 6.527 CV 1 ASSI { 4165} (( segid "A " and resid 44 and name HA )) ( segid "A " and resid 62 and name HE% ) 5.500 3.800 0.500 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.27120E-03 ppm1 5.141 ppm2 6.527 CV 1 ASSI { 4165} (( segid "B " and resid 44 and name HA )) ( segid "B " and resid 62 and name HE% ) 5.500 3.800 0.500 peak 4165 spectrum 1 weight 0.10000E+01 volume 0.27120E-03 ppm1 5.141 ppm2 6.527 CV 1 ASSI { 4168} (( segid "A " and resid 56 and name HG2 )) ( segid "A " and resid 62 and name HE% ) 4.600 2.600 1.400 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.38850E-03 ppm1 0.945 ppm2 6.527 CV 1 ASSI { 4168} (( segid "B " and resid 56 and name HG2 )) ( segid "B " and resid 62 and name HE% ) 4.600 2.600 1.400 peak 4168 spectrum 1 weight 0.10000E+01 volume 0.38850E-03 ppm1 0.945 ppm2 6.527 CV 1 ASSI { 4169} ( segid "A " and resid 62 and name HD% ) ( segid "A " and resid 62 and name HE% ) 2.100 0.600 0.600 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.84610E-02 ppm1 6.743 ppm2 6.527 CV 1 ASSI { 4169} ( segid "B " and resid 62 and name HD% ) ( segid "B " and resid 62 and name HE% ) 2.100 0.600 0.600 peak 4169 spectrum 1 weight 0.10000E+01 volume 0.84610E-02 ppm1 6.743 ppm2 6.527 CV 1 ASSI { 4170} ( segid "A " and resid 88 and name HD% ) ( segid "A " and resid 62 and name HE% ) 4.500 2.500 1.500 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.92227E-03 ppm1 6.936 ppm2 6.527 CV 1 ASSI { 4170} ( segid "B " and resid 88 and name HD% ) ( segid "B " and resid 62 and name HE% ) 4.500 2.500 1.500 peak 4170 spectrum 1 weight 0.10000E+01 volume 0.92227E-03 ppm1 6.936 ppm2 6.527 CV 1 ASSI { 4171} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 62 and name HE% ) 4.300 2.300 1.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.32062E-03 ppm1 8.482 ppm2 6.527 CV 1 ASSI { 4171} (( segid "B " and resid 63 and name HN )) ( segid "B " and resid 62 and name HE% ) 4.300 2.300 1.700 peak 4171 spectrum 1 weight 0.10000E+01 volume 0.32062E-03 ppm1 8.482 ppm2 6.527 CV 1 ASSI { 4172} (( segid "A " and resid 44 and name HB2 )) ( segid "A " and resid 62 and name HE% ) 3.000 1.100 1.100 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 2.293 ppm2 6.527 CV 1 ASSI { 4172} (( segid "B " and resid 44 and name HB2 )) ( segid "B " and resid 62 and name HE% ) 3.000 1.100 1.100 peak 4172 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 2.293 ppm2 6.527 CV 1 ASSI { 4173} (( segid "A " and resid 64 and name HD2 )) ( segid "A " and resid 62 and name HE% ) 4.300 2.300 1.700 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.58836E-03 ppm1 7.023 ppm2 6.527 CV 1 ASSI { 4173} (( segid "B " and resid 64 and name HD2 )) ( segid "B " and resid 62 and name HE% ) 4.300 2.300 1.700 peak 4173 spectrum 1 weight 0.10000E+01 volume 0.58836E-03 ppm1 7.023 ppm2 6.527 CV 1 ASSI { 4174} (( segid "A " and resid 57 and name HD2 )) ( segid "A " and resid 62 and name HE% ) 3.500 1.500 1.500 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 3.203 ppm2 6.527 CV 1 OR { 4174} (( segid "A " and resid 57 and name HD3 )) ( segid "A " and resid 62 and name HE% ) ASSI { 4174} (( segid "B " and resid 57 and name HD2 )) ( segid "B " and resid 62 and name HE% ) 3.500 1.500 1.500 peak 4174 spectrum 1 weight 0.10000E+01 volume 0.20294E-02 ppm1 3.203 ppm2 6.527 CV 1 OR { 4174} (( segid "B " and resid 57 and name HD3 )) ( segid "B " and resid 62 and name HE% ) ASSI { 4176} (( segid "A " and resid 56 and name HA )) ( segid "A " and resid 62 and name HE% ) 4.800 2.900 1.200 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.68440E-03 ppm1 4.480 ppm2 6.527 CV 1 ASSI { 4176} (( segid "B " and resid 56 and name HA )) ( segid "B " and resid 62 and name HE% ) 4.800 2.900 1.200 peak 4176 spectrum 1 weight 0.10000E+01 volume 0.68440E-03 ppm1 4.480 ppm2 6.527 CV 1 ASSI { 4178} (( segid "A " and resid 56 and name HD2 )) ( segid "A " and resid 62 and name HE% ) 3.800 1.800 1.800 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 1.083 ppm2 6.527 CV 1 ASSI { 4178} (( segid "B " and resid 56 and name HD2 )) ( segid "B " and resid 62 and name HE% ) 3.800 1.800 1.800 peak 4178 spectrum 1 weight 0.10000E+01 volume 0.10327E-02 ppm1 1.083 ppm2 6.527 CV 1 ASSI { 4179} (( segid "A " and resid 64 and name HA )) ( segid "A " and resid 62 and name HE% ) 3.400 1.400 1.400 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.81134E-03 ppm1 5.039 ppm2 6.527 CV 1 ASSI { 4179} (( segid "B " and resid 64 and name HA )) ( segid "B " and resid 62 and name HE% ) 3.400 1.400 1.400 peak 4179 spectrum 1 weight 0.10000E+01 volume 0.81134E-03 ppm1 5.039 ppm2 6.527 CV 1 ASSI { 4180} (( segid "A " and resid 56 and name HE2 )) ( segid "A " and resid 62 and name HE% ) 4.900 3.000 1.100 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.42321E-03 ppm1 2.430 ppm2 6.527 CV 1 ASSI { 4180} (( segid "B " and resid 56 and name HE2 )) ( segid "B " and resid 62 and name HE% ) 4.900 3.000 1.100 peak 4180 spectrum 1 weight 0.10000E+01 volume 0.42321E-03 ppm1 2.430 ppm2 6.527 CV 1 ASSI { 4181} (( segid "A " and resid 56 and name HE3 )) ( segid "A " and resid 62 and name HE% ) 3.600 1.600 1.600 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.61541E-03 ppm1 2.629 ppm2 6.527 CV 1 ASSI { 4181} (( segid "B " and resid 56 and name HE3 )) ( segid "B " and resid 62 and name HE% ) 3.600 1.600 1.600 peak 4181 spectrum 1 weight 0.10000E+01 volume 0.61541E-03 ppm1 2.629 ppm2 6.527 CV 1 ASSI { 4182} (( segid "A " and resid 63 and name HA )) ( segid "A " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.35715E-03 ppm1 4.251 ppm2 6.527 CV 1 ASSI { 4182} (( segid "B " and resid 63 and name HA )) ( segid "B " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4182 spectrum 1 weight 0.10000E+01 volume 0.35715E-03 ppm1 4.251 ppm2 6.527 CV 1 ASSI { 4184} (( segid "A " and resid 43 and name HG13)) ( segid "A " and resid 62 and name HE% ) 5.100 3.200 0.900 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.34640E-03 ppm1 1.261 ppm2 6.527 CV 1 ASSI { 4184} (( segid "B " and resid 43 and name HG13)) ( segid "B " and resid 62 and name HE% ) 5.100 3.200 0.900 peak 4184 spectrum 1 weight 0.10000E+01 volume 0.34640E-03 ppm1 1.261 ppm2 6.527 CV 1 ASSI { 4187} ( segid "A " and resid 128 and name HD1%) ( segid "A " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.22165E-03 ppm1 0.645 ppm2 6.527 CV 1 ASSI { 4187} ( segid "B " and resid 128 and name HD1%) ( segid "B " and resid 62 and name HE% ) 4.000 2.000 2.000 peak 4187 spectrum 1 weight 0.10000E+01 volume 0.22165E-03 ppm1 0.645 ppm2 6.527 CV 1 ASSI { 4188} (( segid "A " and resid 44 and name HB3 )) ( segid "A " and resid 62 and name HE% ) 1.900 0.500 0.500 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.45292E-02 ppm1 2.954 ppm2 6.527 CV 1 ASSI { 4188} (( segid "B " and resid 44 and name HB3 )) ( segid "B " and resid 62 and name HE% ) 1.900 0.500 0.500 peak 4188 spectrum 1 weight 0.10000E+01 volume 0.45292E-02 ppm1 2.954 ppm2 6.527 CV 1 ASSI { 4192} (( segid "A " and resid 121 and name HG )) (( segid "A " and resid 120 and name HD1 )) 3.400 1.500 1.500 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.80083E-03 ppm1 1.785 ppm2 6.585 CV 1 ASSI { 4192} (( segid "B " and resid 121 and name HG )) (( segid "B " and resid 120 and name HD1 )) 3.400 1.500 1.500 peak 4192 spectrum 1 weight 0.10000E+01 volume 0.80083E-03 ppm1 1.785 ppm2 6.585 CV 1 ASSI { 4197} ( segid "A " and resid 88 and name HD% ) (( segid "A " and resid 120 and name HD1 )) 4.300 2.300 1.700 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.42719E-03 ppm1 6.936 ppm2 6.585 CV 1 ASSI { 4197} ( segid "B " and resid 88 and name HD% ) (( segid "B " and resid 120 and name HD1 )) 4.300 2.300 1.700 peak 4197 spectrum 1 weight 0.10000E+01 volume 0.42719E-03 ppm1 6.936 ppm2 6.585 CV 1 ASSI { 4199} (( segid "A " and resid 121 and name HA )) (( segid "A " and resid 120 and name HD1 )) 3.600 1.600 1.600 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.71307E-03 ppm1 4.256 ppm2 6.585 CV 1 ASSI { 4199} (( segid "B " and resid 121 and name HA )) (( segid "B " and resid 120 and name HD1 )) 3.600 1.600 1.600 peak 4199 spectrum 1 weight 0.10000E+01 volume 0.71307E-03 ppm1 4.256 ppm2 6.585 CV 1 ASSI { 4200} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 120 and name HD1 )) 4.000 2.000 2.000 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.46516E-03 ppm1 1.027 ppm2 6.585 CV 1 OR { 4200} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 120 and name HD1 )) ASSI { 4200} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 120 and name HD1 )) 4.000 2.000 2.000 peak 4200 spectrum 1 weight 0.10000E+01 volume 0.46516E-03 ppm1 1.027 ppm2 6.585 CV 1 OR { 4200} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 120 and name HD1 )) ASSI { 4201} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 120 and name HD1 )) 4.100 2.100 1.900 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.56518E-03 ppm1 4.017 ppm2 6.585 CV 1 ASSI { 4201} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 120 and name HD1 )) 4.100 2.100 1.900 peak 4201 spectrum 1 weight 0.10000E+01 volume 0.56518E-03 ppm1 4.017 ppm2 6.585 CV 1 ASSI { 4203} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HD1 )) 3.800 1.900 1.900 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.68770E-03 ppm1 -0.199 ppm2 6.585 CV 1 ASSI { 4203} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HD1 )) 3.800 1.900 1.900 peak 4203 spectrum 1 weight 0.10000E+01 volume 0.68770E-03 ppm1 -0.199 ppm2 6.585 CV 1 ASSI { 4204} (( segid "A " and resid 120 and name HA )) (( segid "A " and resid 120 and name HD1 )) 4.100 2.100 1.900 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.46930E-03 ppm1 3.783 ppm2 6.585 CV 1 ASSI { 4204} (( segid "B " and resid 120 and name HA )) (( segid "B " and resid 120 and name HD1 )) 4.100 2.100 1.900 peak 4204 spectrum 1 weight 0.10000E+01 volume 0.46930E-03 ppm1 3.783 ppm2 6.585 CV 1 ASSI { 4205} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 120 and name HD1 )) 4.200 2.200 1.800 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.75669E-03 ppm1 3.870 ppm2 6.585 CV 1 ASSI { 4205} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 120 and name HD1 )) 4.200 2.200 1.800 peak 4205 spectrum 1 weight 0.10000E+01 volume 0.75669E-03 ppm1 3.870 ppm2 6.585 CV 1 ASSI { 4208} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 120 and name HD1 )) 4.300 2.300 1.700 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.30765E-03 ppm1 5.141 ppm2 6.585 CV 1 ASSI { 4208} (( segid "B " and resid 127 and name HA )) (( segid "B " and resid 120 and name HD1 )) 4.300 2.300 1.700 peak 4208 spectrum 1 weight 0.10000E+01 volume 0.30765E-03 ppm1 5.141 ppm2 6.585 CV 1 ASSI { 4211} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 120 and name HD1 )) 3.200 1.300 1.300 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 0.981 ppm2 6.585 CV 1 ASSI { 4211} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 120 and name HD1 )) 3.200 1.300 1.300 peak 4211 spectrum 1 weight 0.10000E+01 volume 0.15399E-02 ppm1 0.981 ppm2 6.585 CV 1 ASSI { 4212} (( segid "A " and resid 120 and name HB3 )) (( segid "A " and resid 120 and name HD1 )) 3.800 1.800 1.800 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.33280E-03 ppm1 3.458 ppm2 6.585 CV 1 OR { 4212} (( segid "A " and resid 120 and name HB2 )) (( segid "A " and resid 120 and name HD1 )) ASSI { 4212} (( segid "B " and resid 120 and name HB3 )) (( segid "B " and resid 120 and name HD1 )) 3.800 1.800 1.800 peak 4212 spectrum 1 weight 0.10000E+01 volume 0.33280E-03 ppm1 3.458 ppm2 6.585 CV 1 OR { 4212} (( segid "B " and resid 120 and name HB2 )) (( segid "B " and resid 120 and name HD1 )) ASSI { 4213} (( segid "A " and resid 57 and name HB2 )) (( segid "A " and resid 120 and name HD1 )) 5.800 4.200 0.200 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.19698E-03 ppm1 0.239 ppm2 6.585 CV 1 ASSI { 4213} (( segid "B " and resid 57 and name HB2 )) (( segid "B " and resid 120 and name HD1 )) 5.800 4.200 0.200 peak 4213 spectrum 1 weight 0.10000E+01 volume 0.19698E-03 ppm1 0.239 ppm2 6.585 CV 1 ASSI { 4215} (( segid "A " and resid 27 and name HD2 )) ( segid "A " and resid 88 and name HE% ) 4.700 2.700 1.300 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.44948E-03 ppm1 3.890 ppm2 6.691 CV 1 ASSI { 4215} (( segid "B " and resid 27 and name HD2 )) ( segid "B " and resid 88 and name HE% ) 4.700 2.700 1.300 peak 4215 spectrum 1 weight 0.10000E+01 volume 0.44948E-03 ppm1 3.890 ppm2 6.691 CV 1 ASSI { 4218} (( segid "A " and resid 44 and name HB2 )) ( segid "A " and resid 88 and name HE% ) 4.000 2.000 2.000 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.41257E-03 ppm1 2.288 ppm2 6.691 CV 1 ASSI { 4218} (( segid "B " and resid 44 and name HB2 )) ( segid "B " and resid 88 and name HE% ) 4.000 2.000 2.000 peak 4218 spectrum 1 weight 0.10000E+01 volume 0.41257E-03 ppm1 2.288 ppm2 6.691 CV 1 ASSI { 4219} (( segid "A " and resid 117 and name HA )) ( segid "A " and resid 88 and name HE% ) 2.400 0.700 0.700 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 4.327 ppm2 6.691 CV 1 ASSI { 4219} (( segid "B " and resid 117 and name HA )) ( segid "B " and resid 88 and name HE% ) 2.400 0.700 0.700 peak 4219 spectrum 1 weight 0.10000E+01 volume 0.28512E-02 ppm1 4.327 ppm2 6.691 CV 1 ASSI { 4220} ( segid "A " and resid 88 and name HD% ) ( segid "A " and resid 88 and name HE% ) 2.100 0.600 0.600 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.77270E-02 ppm1 6.936 ppm2 6.691 CV 1 ASSI { 4220} ( segid "B " and resid 88 and name HD% ) ( segid "B " and resid 88 and name HE% ) 2.100 0.600 0.600 peak 4220 spectrum 1 weight 0.10000E+01 volume 0.77270E-02 ppm1 6.936 ppm2 6.691 CV 1 ASSI { 4221} (( segid "A " and resid 120 and name HD1 )) ( segid "A " and resid 88 and name HE% ) 3.700 1.700 1.700 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 6.585 ppm2 6.691 CV 1 ASSI { 4221} (( segid "B " and resid 120 and name HD1 )) ( segid "B " and resid 88 and name HE% ) 3.700 1.700 1.700 peak 4221 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 6.585 ppm2 6.691 CV 1 ASSI { 4223} (( segid "A " and resid 120 and name HB2 )) ( segid "A " and resid 88 and name HE% ) 3.900 1.900 1.900 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.60271E-03 ppm1 3.453 ppm2 6.691 CV 1 OR { 4223} (( segid "A " and resid 120 and name HB3 )) ( segid "A " and resid 88 and name HE% ) ASSI { 4223} (( segid "B " and resid 120 and name HB2 )) ( segid "B " and resid 88 and name HE% ) 3.900 1.900 1.900 peak 4223 spectrum 1 weight 0.10000E+01 volume 0.60271E-03 ppm1 3.453 ppm2 6.691 CV 1 OR { 4223} (( segid "B " and resid 120 and name HB3 )) ( segid "B " and resid 88 and name HE% ) ASSI { 4224} (( segid "A " and resid 113 and name HB2 )) ( segid "A " and resid 88 and name HE% ) 4.800 2.900 1.200 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.18997E-03 ppm1 3.361 ppm2 6.691 CV 1 ASSI { 4224} (( segid "B " and resid 113 and name HB2 )) ( segid "B " and resid 88 and name HE% ) 4.800 2.900 1.200 peak 4224 spectrum 1 weight 0.10000E+01 volume 0.18997E-03 ppm1 3.361 ppm2 6.691 CV 1 ASSI { 4225} (( segid "A " and resid 56 and name HA )) ( segid "A " and resid 88 and name HE% ) 4.400 2.500 1.600 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.30621E-03 ppm1 4.485 ppm2 6.697 CV 1 ASSI { 4225} (( segid "B " and resid 56 and name HA )) ( segid "B " and resid 88 and name HE% ) 4.400 2.500 1.600 peak 4225 spectrum 1 weight 0.10000E+01 volume 0.30621E-03 ppm1 4.485 ppm2 6.697 CV 1 ASSI { 4227} (( segid "A " and resid 57 and name HD3 )) ( segid "A " and resid 88 and name HE% ) 3.900 1.900 1.900 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.32609E-03 ppm1 3.249 ppm2 6.697 CV 1 OR { 4227} (( segid "A " and resid 57 and name HD2 )) ( segid "A " and resid 88 and name HE% ) ASSI { 4227} (( segid "B " and resid 57 and name HD3 )) ( segid "B " and resid 88 and name HE% ) 3.900 1.900 1.900 peak 4227 spectrum 1 weight 0.10000E+01 volume 0.32609E-03 ppm1 3.249 ppm2 6.697 CV 1 OR { 4227} (( segid "B " and resid 57 and name HD2 )) ( segid "B " and resid 88 and name HE% ) ASSI { 4234} (( segid "A " and resid 116 and name HA1 )) ( segid "A " and resid 88 and name HE% ) 4.900 2.900 1.100 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.17148E-03 ppm1 3.147 ppm2 6.697 CV 1 ASSI { 4234} (( segid "B " and resid 116 and name HA1 )) ( segid "B " and resid 88 and name HE% ) 4.900 2.900 1.100 peak 4234 spectrum 1 weight 0.10000E+01 volume 0.17148E-03 ppm1 3.147 ppm2 6.697 CV 1 ASSI { 4236} (( segid "A " and resid 84 and name HB3 )) ( segid "A " and resid 111 and name HE% ) 3.800 1.800 1.800 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 2.436 ppm2 6.703 CV 1 ASSI { 4236} (( segid "B " and resid 84 and name HB3 )) ( segid "B " and resid 111 and name HE% ) 3.800 1.800 1.800 peak 4236 spectrum 1 weight 0.10000E+01 volume 0.22988E-02 ppm1 2.436 ppm2 6.703 CV 1 ASSI { 4237} ( segid "A " and resid 33 and name HD2%) ( segid "A " and resid 111 and name HE% ) 3.400 1.500 1.500 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 0.056 ppm2 6.703 CV 1 ASSI { 4237} ( segid "B " and resid 33 and name HD2%) ( segid "B " and resid 111 and name HE% ) 3.400 1.500 1.500 peak 4237 spectrum 1 weight 0.10000E+01 volume 0.11999E-02 ppm1 0.056 ppm2 6.703 CV 1 ASSI { 4238} (( segid "A " and resid 111 and name HB3 )) ( segid "A " and resid 111 and name HE% ) 5.000 3.100 1.000 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.26244E-03 ppm1 3.046 ppm2 6.703 CV 1 ASSI { 4238} (( segid "B " and resid 111 and name HB3 )) ( segid "B " and resid 111 and name HE% ) 5.000 3.100 1.000 peak 4238 spectrum 1 weight 0.10000E+01 volume 0.26244E-03 ppm1 3.046 ppm2 6.703 CV 1 ASSI { 4246} ( segid "A " and resid 111 and name HD% ) ( segid "A " and resid 111 and name HE% ) 2.000 0.500 0.500 peak 4246 spectrum 1 weight 0.10000E+01 volume 0.11480E-01 ppm1 6.977 ppm2 6.703 CV 1 ASSI { 4246} ( segid "B " and resid 111 and name HD% ) ( segid "B " and resid 111 and name HE% ) 2.000 0.500 0.500 peak 4246 spectrum 1 weight 0.10000E+01 volume 0.11480E-01 ppm1 6.977 ppm2 6.703 CV 1 ASSI { 4247} (( segid "A " and resid 111 and name HB2 )) ( segid "A " and resid 111 and name HE% ) 4.000 2.000 2.000 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.14030E-02 ppm1 2.914 ppm2 6.703 CV 1 ASSI { 4247} (( segid "B " and resid 111 and name HB2 )) ( segid "B " and resid 111 and name HE% ) 4.000 2.000 2.000 peak 4247 spectrum 1 weight 0.10000E+01 volume 0.14030E-02 ppm1 2.914 ppm2 6.703 CV 1 ASSI { 4251} ( segid "A " and resid 40 and name HG2%) ( segid "A " and resid 111 and name HE% ) 2.900 1.100 1.100 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 0.666 ppm2 6.703 CV 1 ASSI { 4251} ( segid "B " and resid 40 and name HG2%) ( segid "B " and resid 111 and name HE% ) 2.900 1.100 1.100 peak 4251 spectrum 1 weight 0.10000E+01 volume 0.16238E-02 ppm1 0.666 ppm2 6.703 CV 1 ASSI { 4252} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 111 and name HE% ) 4.700 2.800 1.300 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.35449E-03 ppm1 7.114 ppm2 6.703 CV 1 ASSI { 4252} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 111 and name HE% ) 4.700 2.800 1.300 peak 4252 spectrum 1 weight 0.10000E+01 volume 0.35449E-03 ppm1 7.114 ppm2 6.703 CV 1 ASSI { 4253} (( segid "A " and resid 109 and name HB )) ( segid "A " and resid 111 and name HE% ) 3.700 1.700 1.700 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.63030E-03 ppm1 3.707 ppm2 6.703 CV 1 ASSI { 4253} (( segid "B " and resid 109 and name HB )) ( segid "B " and resid 111 and name HE% ) 3.700 1.700 1.700 peak 4253 spectrum 1 weight 0.10000E+01 volume 0.63030E-03 ppm1 3.707 ppm2 6.703 CV 1 ASSI { 4254} (( segid "A " and resid 84 and name HG3 )) ( segid "A " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.99180E-03 ppm1 2.181 ppm2 6.703 CV 1 ASSI { 4254} (( segid "B " and resid 84 and name HG3 )) ( segid "B " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4254 spectrum 1 weight 0.10000E+01 volume 0.99180E-03 ppm1 2.181 ppm2 6.703 CV 1 ASSI { 4256} (( segid "A " and resid 84 and name HA )) ( segid "A " and resid 111 and name HE% ) 4.000 2.000 2.000 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 5.105 ppm2 6.703 CV 1 ASSI { 4256} (( segid "B " and resid 84 and name HA )) ( segid "B " and resid 111 and name HE% ) 4.000 2.000 2.000 peak 4256 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 5.105 ppm2 6.703 CV 1 ASSI { 4258} (( segid "A " and resid 33 and name HB2 )) ( segid "A " and resid 111 and name HE% ) 4.700 2.800 1.300 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 1.459 ppm2 6.703 CV 1 ASSI { 4258} (( segid "B " and resid 33 and name HB2 )) ( segid "B " and resid 111 and name HE% ) 4.700 2.800 1.300 peak 4258 spectrum 1 weight 0.10000E+01 volume 0.45606E-03 ppm1 1.459 ppm2 6.703 CV 1 ASSI { 4259} (( segid "A " and resid 111 and name HA )) ( segid "A " and resid 111 and name HE% ) 4.400 2.400 1.600 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.54674E-03 ppm1 5.782 ppm2 6.703 CV 1 ASSI { 4259} (( segid "B " and resid 111 and name HA )) ( segid "B " and resid 111 and name HE% ) 4.400 2.400 1.600 peak 4259 spectrum 1 weight 0.10000E+01 volume 0.54674E-03 ppm1 5.782 ppm2 6.703 CV 1 ASSI { 4277} (( segid "A " and resid 44 and name HB3 )) ( segid "A " and resid 62 and name HD% ) 4.400 2.400 1.600 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.81794E-03 ppm1 2.959 ppm2 6.744 CV 1 ASSI { 4277} (( segid "B " and resid 44 and name HB3 )) ( segid "B " and resid 62 and name HD% ) 4.400 2.400 1.600 peak 4277 spectrum 1 weight 0.10000E+01 volume 0.81794E-03 ppm1 2.959 ppm2 6.744 CV 1 ASSI { 4280} (( segid "A " and resid 42 and name HB3 )) ( segid "A " and resid 62 and name HD% ) 4.200 2.200 1.800 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.21553E-03 ppm1 1.683 ppm2 6.744 CV 1 ASSI { 4280} (( segid "B " and resid 42 and name HB3 )) ( segid "B " and resid 62 and name HD% ) 4.200 2.200 1.800 peak 4280 spectrum 1 weight 0.10000E+01 volume 0.21553E-03 ppm1 1.683 ppm2 6.744 CV 1 ASSI { 4284} (( segid "A " and resid 62 and name HB3 )) ( segid "A " and resid 62 and name HD% ) 2.200 0.600 0.600 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.79092E-02 ppm1 2.725 ppm2 6.744 CV 1 OR { 4284} (( segid "A " and resid 62 and name HB2 )) ( segid "A " and resid 62 and name HD% ) ASSI { 4284} (( segid "B " and resid 62 and name HB3 )) ( segid "B " and resid 62 and name HD% ) 2.200 0.600 0.600 peak 4284 spectrum 1 weight 0.10000E+01 volume 0.79092E-02 ppm1 2.725 ppm2 6.744 CV 1 OR { 4284} (( segid "B " and resid 62 and name HB2 )) ( segid "B " and resid 62 and name HD% ) ASSI { 4286} (( segid "A " and resid 62 and name HA )) ( segid "A " and resid 62 and name HD% ) 3.500 1.500 1.500 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.10150E-02 ppm1 4.861 ppm2 6.744 CV 1 ASSI { 4286} (( segid "B " and resid 62 and name HA )) ( segid "B " and resid 62 and name HD% ) 3.500 1.500 1.500 peak 4286 spectrum 1 weight 0.10000E+01 volume 0.10150E-02 ppm1 4.861 ppm2 6.744 CV 1 ASSI { 4287} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 62 and name HD% ) 3.600 1.600 1.600 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 0.681 ppm2 6.744 CV 1 ASSI { 4287} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 62 and name HD% ) 3.600 1.600 1.600 peak 4287 spectrum 1 weight 0.10000E+01 volume 0.32138E-02 ppm1 0.681 ppm2 6.744 CV 1 ASSI { 4290} (( segid "A " and resid 61 and name HA )) ( segid "A " and resid 62 and name HD% ) 5.100 3.300 0.900 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.32918E-03 ppm1 4.943 ppm2 6.744 CV 1 ASSI { 4290} (( segid "B " and resid 61 and name HA )) ( segid "B " and resid 62 and name HD% ) 5.100 3.300 0.900 peak 4290 spectrum 1 weight 0.10000E+01 volume 0.32918E-03 ppm1 4.943 ppm2 6.744 CV 1 ASSI { 4291} (( segid "A " and resid 44 and name HB2 )) ( segid "A " and resid 62 and name HD% ) 3.800 1.800 1.800 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.83617E-03 ppm1 2.293 ppm2 6.744 CV 1 ASSI { 4291} (( segid "B " and resid 44 and name HB2 )) ( segid "B " and resid 62 and name HD% ) 3.800 1.800 1.800 peak 4291 spectrum 1 weight 0.10000E+01 volume 0.83617E-03 ppm1 2.293 ppm2 6.744 CV 1 ASSI { 4298} ( segid "A " and resid 7 and name HD% ) (( segid "A " and resid 7 and name HZ )) 3.400 1.500 1.500 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.16343E-02 ppm1 7.460 ppm2 6.832 CV 1 ASSI { 4298} ( segid "B " and resid 7 and name HD% ) (( segid "B " and resid 7 and name HZ )) 3.400 1.500 1.500 peak 4298 spectrum 1 weight 0.10000E+01 volume 0.16343E-02 ppm1 7.460 ppm2 6.832 CV 1 ASSI { 4299} ( segid "A " and resid 79 and name HD2%) (( segid "B " and resid 7 and name HZ )) 4.000 2.000 2.000 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.22932E-02 ppm1 0.874 ppm2 6.832 CV 1 ASSI { 4299} ( segid "B " and resid 79 and name HD2%) (( segid "A " and resid 7 and name HZ )) 4.000 2.000 2.000 peak 4299 spectrum 1 weight 0.10000E+01 volume 0.22932E-02 ppm1 0.874 ppm2 6.832 CV 1 ASSI { 4300} (( segid "A " and resid 79 and name HG )) (( segid "B " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.40716E-02 ppm1 1.408 ppm2 6.832 CV 1 ASSI { 4300} (( segid "B " and resid 79 and name HG )) (( segid "A " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4300 spectrum 1 weight 0.10000E+01 volume 0.40716E-02 ppm1 1.408 ppm2 6.832 CV 1 ASSI { 4305} (( segid "A " and resid 80 and name HA )) (( segid "B " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.91344E-03 ppm1 4.994 ppm2 6.832 CV 1 ASSI { 4305} (( segid "B " and resid 80 and name HA )) (( segid "A " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4305 spectrum 1 weight 0.10000E+01 volume 0.91344E-03 ppm1 4.994 ppm2 6.832 CV 1 ASSI { 4309} ( segid "A " and resid 79 and name HD1%) (( segid "B " and resid 7 and name HZ )) 3.300 1.400 1.400 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.28358E-02 ppm1 0.737 ppm2 6.832 CV 1 ASSI { 4309} ( segid "B " and resid 79 and name HD1%) (( segid "A " and resid 7 and name HZ )) 3.300 1.400 1.400 peak 4309 spectrum 1 weight 0.10000E+01 volume 0.28358E-02 ppm1 0.737 ppm2 6.832 CV 1 ASSI { 4310} ( segid "A " and resid 74 and name HD2%) (( segid "B " and resid 7 and name HZ )) 3.600 1.600 1.600 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.24031E-02 ppm1 0.157 ppm2 6.832 CV 1 ASSI { 4310} ( segid "B " and resid 74 and name HD2%) (( segid "A " and resid 7 and name HZ )) 3.600 1.600 1.600 peak 4310 spectrum 1 weight 0.10000E+01 volume 0.24031E-02 ppm1 0.157 ppm2 6.832 CV 1 ASSI { 4312} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 120 and name HH2 )) 2.400 0.700 0.700 peak 4312 spectrum 1 weight 0.10000E+01 volume 0.44230E-02 ppm1 0.935 ppm2 6.838 CV 1 ASSI { 4312} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 120 and name HH2 )) 2.400 0.700 0.700 peak 4312 spectrum 1 weight 0.10000E+01 volume 0.44230E-02 ppm1 0.935 ppm2 6.838 CV 1 ASSI { 4313} (( segid "A " and resid 120 and name HZ3 )) (( segid "A " and resid 120 and name HH2 )) 2.100 0.500 0.500 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.10895E-01 ppm1 7.033 ppm2 6.838 CV 1 OR { 4313} (( segid "A " and resid 120 and name HZ2 )) (( segid "A " and resid 120 and name HH2 )) ASSI { 4313} (( segid "B " and resid 120 and name HZ3 )) (( segid "B " and resid 120 and name HH2 )) 2.100 0.500 0.500 peak 4313 spectrum 1 weight 0.10000E+01 volume 0.10895E-01 ppm1 7.033 ppm2 6.838 CV 1 OR { 4313} (( segid "B " and resid 120 and name HZ2 )) (( segid "B " and resid 120 and name HH2 )) ASSI { 4316} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 120 and name HH2 )) 2.600 0.900 0.900 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.45952E-02 ppm1 4.114 ppm2 6.838 CV 1 ASSI { 4316} (( segid "B " and resid 31 and name HA )) (( segid "B " and resid 120 and name HH2 )) 2.600 0.900 0.900 peak 4316 spectrum 1 weight 0.10000E+01 volume 0.45952E-02 ppm1 4.114 ppm2 6.838 CV 1 ASSI { 4320} (( segid "A " and resid 32 and name HA )) ( segid "A " and resid 31 and name HE% ) 3.800 1.800 1.800 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.65900E-03 ppm1 3.829 ppm2 6.849 CV 1 ASSI { 4320} (( segid "B " and resid 32 and name HA )) ( segid "B " and resid 31 and name HE% ) 3.800 1.800 1.800 peak 4320 spectrum 1 weight 0.10000E+01 volume 0.65900E-03 ppm1 3.829 ppm2 6.849 CV 1 ASSI { 4322} (( segid "A " and resid 126 and name HB3 )) ( segid "A " and resid 31 and name HE% ) 4.400 2.400 1.600 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.84721E-03 ppm1 2.425 ppm2 6.849 CV 1 ASSI { 4322} (( segid "B " and resid 126 and name HB3 )) ( segid "B " and resid 31 and name HE% ) 4.400 2.400 1.600 peak 4322 spectrum 1 weight 0.10000E+01 volume 0.84721E-03 ppm1 2.425 ppm2 6.849 CV 1 ASSI { 4324} ( segid "A " and resid 31 and name HD% ) ( segid "A " and resid 31 and name HE% ) 1.900 0.500 0.500 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.20835E-01 ppm1 7.094 ppm2 6.849 CV 1 ASSI { 4324} ( segid "B " and resid 31 and name HD% ) ( segid "B " and resid 31 and name HE% ) 1.900 0.500 0.500 peak 4324 spectrum 1 weight 0.10000E+01 volume 0.20835E-01 ppm1 7.094 ppm2 6.849 CV 1 ASSI { 4325} (( segid "A " and resid 120 and name HE1 )) ( segid "A " and resid 31 and name HE% ) 5.100 3.300 0.900 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.22767E-03 ppm1 9.804 ppm2 6.849 CV 1 ASSI { 4325} (( segid "B " and resid 120 and name HE1 )) ( segid "B " and resid 31 and name HE% ) 5.100 3.300 0.900 peak 4325 spectrum 1 weight 0.10000E+01 volume 0.22767E-03 ppm1 9.804 ppm2 6.849 CV 1 ASSI { 4328} (( segid "A " and resid 31 and name HB2 )) ( segid "A " and resid 31 and name HE% ) 3.500 1.500 1.500 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 2.741 ppm2 6.849 CV 1 ASSI { 4328} (( segid "B " and resid 31 and name HB2 )) ( segid "B " and resid 31 and name HE% ) 3.500 1.500 1.500 peak 4328 spectrum 1 weight 0.10000E+01 volume 0.23849E-02 ppm1 2.741 ppm2 6.849 CV 1 ASSI { 4329} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 31 and name HE% ) 4.300 2.300 1.700 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 0.681 ppm2 6.849 CV 1 ASSI { 4329} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 31 and name HE% ) 4.300 2.300 1.700 peak 4329 spectrum 1 weight 0.10000E+01 volume 0.15035E-02 ppm1 0.681 ppm2 6.849 CV 1 ASSI { 4330} (( segid "A " and resid 31 and name HB3 )) ( segid "A " and resid 31 and name HE% ) 3.500 1.500 1.500 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.29092E-02 ppm1 2.888 ppm2 6.849 CV 1 ASSI { 4330} (( segid "B " and resid 31 and name HB3 )) ( segid "B " and resid 31 and name HE% ) 3.500 1.500 1.500 peak 4330 spectrum 1 weight 0.10000E+01 volume 0.29092E-02 ppm1 2.888 ppm2 6.849 CV 1 ASSI { 4331} (( segid "A " and resid 126 and name HG3 )) ( segid "A " and resid 31 and name HE% ) 3.300 1.400 1.400 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 2.202 ppm2 6.849 CV 1 ASSI { 4331} (( segid "B " and resid 126 and name HG3 )) ( segid "B " and resid 31 and name HE% ) 3.300 1.400 1.400 peak 4331 spectrum 1 weight 0.10000E+01 volume 0.12402E-02 ppm1 2.202 ppm2 6.849 CV 1 ASSI { 4334} (( segid "A " and resid 57 and name HB2 )) ( segid "A " and resid 31 and name HE% ) 4.500 2.600 1.500 peak 4334 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 0.254 ppm2 6.849 CV 1 ASSI { 4334} (( segid "B " and resid 57 and name HB2 )) ( segid "B " and resid 31 and name HE% ) 4.500 2.600 1.500 peak 4334 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 0.254 ppm2 6.849 CV 1 ASSI { 4336} (( segid "A " and resid 126 and name HG2 )) ( segid "A " and resid 31 and name HE% ) 3.400 1.400 1.400 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 1.952 ppm2 6.849 CV 1 ASSI { 4336} (( segid "B " and resid 126 and name HG2 )) ( segid "B " and resid 31 and name HE% ) 3.400 1.400 1.400 peak 4336 spectrum 1 weight 0.10000E+01 volume 0.15515E-02 ppm1 1.952 ppm2 6.849 CV 1 ASSI { 4345} (( segid "A " and resid 88 and name HA )) ( segid "A " and resid 88 and name HD% ) 2.800 1.000 1.000 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 5.492 ppm2 6.931 CV 1 ASSI { 4345} (( segid "B " and resid 88 and name HA )) ( segid "B " and resid 88 and name HD% ) 2.800 1.000 1.000 peak 4345 spectrum 1 weight 0.10000E+01 volume 0.22778E-02 ppm1 5.492 ppm2 6.931 CV 1 ASSI { 4347} (( segid "A " and resid 44 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 2.800 1.000 1.000 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.19174E-02 ppm1 2.283 ppm2 6.931 CV 1 ASSI { 4347} (( segid "B " and resid 44 and name HB2 )) ( segid "B " and resid 88 and name HD% ) 2.800 1.000 1.000 peak 4347 spectrum 1 weight 0.10000E+01 volume 0.19174E-02 ppm1 2.283 ppm2 6.931 CV 1 ASSI { 4348} (( segid "A " and resid 113 and name HB3 )) ( segid "A " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.38398E-02 ppm1 4.439 ppm2 6.931 CV 1 ASSI { 4348} (( segid "B " and resid 113 and name HB3 )) ( segid "B " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 4348 spectrum 1 weight 0.10000E+01 volume 0.38398E-02 ppm1 4.439 ppm2 6.931 CV 1 ASSI { 4349} (( segid "A " and resid 88 and name HB3 )) ( segid "A " and resid 88 and name HD% ) 2.200 0.600 0.600 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.47057E-02 ppm1 2.853 ppm2 6.931 CV 1 ASSI { 4349} (( segid "B " and resid 88 and name HB3 )) ( segid "B " and resid 88 and name HD% ) 2.200 0.600 0.600 peak 4349 spectrum 1 weight 0.10000E+01 volume 0.47057E-02 ppm1 2.853 ppm2 6.931 CV 1 ASSI { 4350} (( segid "A " and resid 113 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 2.000 0.500 0.500 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.41945E-02 ppm1 3.387 ppm2 6.931 CV 1 ASSI { 4350} (( segid "B " and resid 113 and name HB2 )) ( segid "B " and resid 88 and name HD% ) 2.000 0.500 0.500 peak 4350 spectrum 1 weight 0.10000E+01 volume 0.41945E-02 ppm1 3.387 ppm2 6.931 CV 1 ASSI { 4351} (( segid "A " and resid 88 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 2.600 0.800 0.800 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 2.456 ppm2 6.931 CV 1 ASSI { 4351} (( segid "B " and resid 88 and name HB2 )) ( segid "B " and resid 88 and name HD% ) 2.600 0.800 0.800 peak 4351 spectrum 1 weight 0.10000E+01 volume 0.39484E-02 ppm1 2.456 ppm2 6.931 CV 1 ASSI { 4352} (( segid "A " and resid 117 and name HA )) ( segid "A " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.26084E-02 ppm1 4.327 ppm2 6.931 CV 1 ASSI { 4352} (( segid "B " and resid 117 and name HA )) ( segid "B " and resid 88 and name HD% ) 3.600 1.600 1.600 peak 4352 spectrum 1 weight 0.10000E+01 volume 0.26084E-02 ppm1 4.327 ppm2 6.931 CV 1 ASSI { 4360} (( segid "A " and resid 88 and name HN )) ( segid "A " and resid 88 and name HD% ) 4.500 2.500 1.500 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.66452E-03 ppm1 8.157 ppm2 6.931 CV 1 ASSI { 4360} (( segid "B " and resid 88 and name HN )) ( segid "B " and resid 88 and name HD% ) 4.500 2.500 1.500 peak 4360 spectrum 1 weight 0.10000E+01 volume 0.66452E-03 ppm1 8.157 ppm2 6.931 CV 1 ASSI { 4361} (( segid "A " and resid 57 and name HD3 )) ( segid "A " and resid 88 and name HD% ) 2.700 0.900 0.900 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 3.244 ppm2 6.931 CV 1 OR { 4361} (( segid "A " and resid 57 and name HD2 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4361} (( segid "B " and resid 57 and name HD3 )) ( segid "B " and resid 88 and name HD% ) 2.700 0.900 0.900 peak 4361 spectrum 1 weight 0.10000E+01 volume 0.24842E-02 ppm1 3.244 ppm2 6.931 CV 1 OR { 4361} (( segid "B " and resid 57 and name HD2 )) ( segid "B " and resid 88 and name HD% ) ASSI { 4364} (( segid "A " and resid 44 and name HA )) ( segid "A " and resid 88 and name HD% ) 3.200 1.300 1.300 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 5.151 ppm2 6.931 CV 1 ASSI { 4364} (( segid "B " and resid 44 and name HA )) ( segid "B " and resid 88 and name HD% ) 3.200 1.300 1.300 peak 4364 spectrum 1 weight 0.10000E+01 volume 0.14913E-02 ppm1 5.151 ppm2 6.931 CV 1 ASSI { 4366} (( segid "A " and resid 120 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 3.437 ppm2 6.931 CV 1 OR { 4366} (( segid "A " and resid 120 and name HB3 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4366} (( segid "B " and resid 120 and name HB2 )) ( segid "B " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 4366 spectrum 1 weight 0.10000E+01 volume 0.14747E-02 ppm1 3.437 ppm2 6.931 CV 1 OR { 4366} (( segid "B " and resid 120 and name HB3 )) ( segid "B " and resid 88 and name HD% ) ASSI { 4370} (( segid "A " and resid 27 and name HD2 )) ( segid "A " and resid 88 and name HD% ) 4.400 2.500 1.600 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.67722E-03 ppm1 3.910 ppm2 6.931 CV 1 ASSI { 4370} (( segid "B " and resid 27 and name HD2 )) ( segid "B " and resid 88 and name HD% ) 4.400 2.500 1.600 peak 4370 spectrum 1 weight 0.10000E+01 volume 0.67722E-03 ppm1 3.910 ppm2 6.931 CV 1 ASSI { 4376} (( segid "A " and resid 27 and name HG3 )) ( segid "A " and resid 88 and name HD% ) 4.100 2.100 1.900 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.59001E-03 ppm1 2.227 ppm2 6.931 CV 1 ASSI { 4376} (( segid "B " and resid 27 and name HG3 )) ( segid "B " and resid 88 and name HD% ) 4.100 2.100 1.900 peak 4376 spectrum 1 weight 0.10000E+01 volume 0.59001E-03 ppm1 2.227 ppm2 6.931 CV 1 ASSI { 4377} (( segid "A " and resid 42 and name HB2 )) ( segid "A " and resid 88 and name HD% ) 4.400 2.500 1.600 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.69488E-03 ppm1 1.479 ppm2 6.931 CV 1 ASSI { 4377} (( segid "B " and resid 42 and name HB2 )) ( segid "B " and resid 88 and name HD% ) 4.400 2.500 1.600 peak 4377 spectrum 1 weight 0.10000E+01 volume 0.69488E-03 ppm1 1.479 ppm2 6.931 CV 1 ASSI { 4381} (( segid "A " and resid 27 and name HB3 )) ( segid "A " and resid 88 and name HD% ) 3.900 1.900 1.900 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.44617E-03 ppm1 2.654 ppm2 6.931 CV 1 ASSI { 4381} (( segid "B " and resid 27 and name HB3 )) ( segid "B " and resid 88 and name HD% ) 3.900 1.900 1.900 peak 4381 spectrum 1 weight 0.10000E+01 volume 0.44617E-03 ppm1 2.654 ppm2 6.931 CV 1 ASSI { 4385} (( segid "A " and resid 112 and name HA )) ( segid "A " and resid 88 and name HD% ) 5.400 3.700 0.600 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.40594E-03 ppm1 5.411 ppm2 6.931 CV 1 ASSI { 4385} (( segid "B " and resid 112 and name HA )) ( segid "B " and resid 88 and name HD% ) 5.400 3.700 0.600 peak 4385 spectrum 1 weight 0.10000E+01 volume 0.40594E-03 ppm1 5.411 ppm2 6.931 CV 1 ASSI { 4387} (( segid "A " and resid 116 and name HA1 )) ( segid "A " and resid 88 and name HD% ) 3.900 1.900 1.900 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 3.158 ppm2 6.931 CV 1 ASSI { 4387} (( segid "B " and resid 116 and name HA1 )) ( segid "B " and resid 88 and name HD% ) 3.900 1.900 1.900 peak 4387 spectrum 1 weight 0.10000E+01 volume 0.10873E-02 ppm1 3.158 ppm2 6.931 CV 1 ASSI { 4402} (( segid "A " and resid 7 and name HB3 )) ( segid "B " and resid 105 and name HE% ) 4.300 2.300 1.700 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 3.437 ppm2 6.967 CV 1 ASSI { 4402} (( segid "B " and resid 7 and name HB3 )) ( segid "A " and resid 105 and name HE% ) 4.300 2.300 1.700 peak 4402 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 3.437 ppm2 6.967 CV 1 ASSI { 4404} (( segid "A " and resid 105 and name HB3 )) ( segid "A " and resid 105 and name HE% ) 3.900 1.900 1.900 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.12015E-02 ppm1 3.478 ppm2 6.967 CV 1 ASSI { 4404} (( segid "B " and resid 105 and name HB3 )) ( segid "B " and resid 105 and name HE% ) 3.900 1.900 1.900 peak 4404 spectrum 1 weight 0.10000E+01 volume 0.12015E-02 ppm1 3.478 ppm2 6.967 CV 1 ASSI { 4405} (( segid "A " and resid 11 and name HB2 )) ( segid "B " and resid 105 and name HE% ) 2.500 0.800 0.800 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.31753E-02 ppm1 3.361 ppm2 6.967 CV 1 ASSI { 4405} (( segid "B " and resid 11 and name HB2 )) ( segid "A " and resid 105 and name HE% ) 2.500 0.800 0.800 peak 4405 spectrum 1 weight 0.10000E+01 volume 0.31753E-02 ppm1 3.361 ppm2 6.967 CV 1 ASSI { 4407} ( segid "A " and resid 105 and name HD% ) ( segid "A " and resid 105 and name HE% ) 2.100 0.600 0.600 peak 4407 spectrum 1 weight 0.10000E+01 volume 0.80359E-02 ppm1 7.440 ppm2 6.967 CV 1 ASSI { 4407} ( segid "B " and resid 105 and name HD% ) ( segid "B " and resid 105 and name HE% ) 2.100 0.600 0.600 peak 4407 spectrum 1 weight 0.10000E+01 volume 0.80359E-02 ppm1 7.440 ppm2 6.967 CV 1 ASSI { 4409} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 105 and name HE% ) 3.400 1.500 1.500 peak 4409 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 -0.072 ppm2 6.967 CV 1 ASSI { 4409} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 105 and name HE% ) 3.400 1.500 1.500 peak 4409 spectrum 1 weight 0.10000E+01 volume 0.14444E-02 ppm1 -0.072 ppm2 6.967 CV 1 ASSI { 4410} (( segid "A " and resid 11 and name HB3 )) ( segid "B " and resid 105 and name HE% ) 3.600 1.600 1.600 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 3.585 ppm2 6.967 CV 1 ASSI { 4410} (( segid "B " and resid 11 and name HB3 )) ( segid "A " and resid 105 and name HE% ) 3.600 1.600 1.600 peak 4410 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 3.585 ppm2 6.967 CV 1 ASSI { 4411} (( segid "A " and resid 10 and name HA )) ( segid "B " and resid 105 and name HE% ) 4.200 2.200 1.800 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.78981E-03 ppm1 3.890 ppm2 6.967 CV 1 ASSI { 4411} (( segid "B " and resid 10 and name HA )) ( segid "A " and resid 105 and name HE% ) 4.200 2.200 1.800 peak 4411 spectrum 1 weight 0.10000E+01 volume 0.78981E-03 ppm1 3.890 ppm2 6.967 CV 1 ASSI { 4412} (( segid "A " and resid 10 and name HB )) ( segid "B " and resid 105 and name HE% ) 2.500 0.800 0.800 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.42034E-02 ppm1 4.307 ppm2 6.967 CV 1 ASSI { 4412} (( segid "B " and resid 10 and name HB )) ( segid "A " and resid 105 and name HE% ) 2.500 0.800 0.800 peak 4412 spectrum 1 weight 0.10000E+01 volume 0.42034E-02 ppm1 4.307 ppm2 6.967 CV 1 ASSI { 4416} (( segid "A " and resid 7 and name HA )) ( segid "B " and resid 105 and name HE% ) 3.800 1.800 1.800 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 4.983 ppm2 6.967 CV 1 ASSI { 4416} (( segid "B " and resid 7 and name HA )) ( segid "A " and resid 105 and name HE% ) 3.800 1.800 1.800 peak 4416 spectrum 1 weight 0.10000E+01 volume 0.11971E-02 ppm1 4.983 ppm2 6.967 CV 1 ASSI { 4418} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 105 and name HE% ) 3.900 1.900 1.900 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.89411E-03 ppm1 0.157 ppm2 6.972 CV 1 ASSI { 4418} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 105 and name HE% ) 3.900 1.900 1.900 peak 4418 spectrum 1 weight 0.10000E+01 volume 0.89411E-03 ppm1 0.157 ppm2 6.972 CV 1 ASSI { 4421} (( segid "A " and resid 86 and name HB )) ( segid "A " and resid 111 and name HD% ) 2.700 0.900 0.900 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.86376E-03 ppm1 1.907 ppm2 6.972 CV 1 ASSI { 4421} (( segid "B " and resid 86 and name HB )) ( segid "B " and resid 111 and name HD% ) 2.700 0.900 0.900 peak 4421 spectrum 1 weight 0.10000E+01 volume 0.86376E-03 ppm1 1.907 ppm2 6.972 CV 1 ASSI { 4422} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.16177E-02 ppm1 1.932 ppm2 6.972 CV 1 ASSI { 4422} (( segid "B " and resid 85 and name HB )) ( segid "B " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4422 spectrum 1 weight 0.10000E+01 volume 0.16177E-02 ppm1 1.932 ppm2 6.972 CV 1 ASSI { 4423} (( segid "A " and resid 29 and name HB3 )) ( segid "A " and resid 111 and name HD% ) 4.000 2.000 2.000 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 2.959 ppm2 6.972 CV 1 ASSI { 4423} (( segid "B " and resid 29 and name HB3 )) ( segid "B " and resid 111 and name HD% ) 4.000 2.000 2.000 peak 4423 spectrum 1 weight 0.10000E+01 volume 0.16519E-02 ppm1 2.959 ppm2 6.972 CV 1 ASSI { 4424} (( segid "A " and resid 109 and name HB )) ( segid "A " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4424 spectrum 1 weight 0.10000E+01 volume 0.38089E-03 ppm1 3.712 ppm2 6.972 CV 1 ASSI { 4424} (( segid "B " and resid 109 and name HB )) ( segid "B " and resid 111 and name HD% ) 4.200 2.200 1.800 peak 4424 spectrum 1 weight 0.10000E+01 volume 0.38089E-03 ppm1 3.712 ppm2 6.972 CV 1 ASSI { 4427} (( segid "A " and resid 11 and name HA )) ( segid "B " and resid 105 and name HE% ) 3.000 1.100 1.100 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 4.922 ppm2 6.972 CV 1 ASSI { 4427} (( segid "B " and resid 11 and name HA )) ( segid "A " and resid 105 and name HE% ) 3.000 1.100 1.100 peak 4427 spectrum 1 weight 0.10000E+01 volume 0.11806E-02 ppm1 4.922 ppm2 6.972 CV 1 ASSI { 4428} (( segid "A " and resid 25 and name HG )) ( segid "A " and resid 111 and name HD% ) 2.400 0.700 0.700 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.30862E-02 ppm1 1.673 ppm2 6.972 CV 1 ASSI { 4428} (( segid "B " and resid 25 and name HG )) ( segid "B " and resid 111 and name HD% ) 2.400 0.700 0.700 peak 4428 spectrum 1 weight 0.10000E+01 volume 0.30862E-02 ppm1 1.673 ppm2 6.972 CV 1 ASSI { 4430} (( segid "A " and resid 14 and name HB2 )) ( segid "B " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.978 ppm2 6.972 CV 1 ASSI { 4430} (( segid "B " and resid 14 and name HB2 )) ( segid "A " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 4430 spectrum 1 weight 0.10000E+01 volume 0.15421E-02 ppm1 1.978 ppm2 6.972 CV 1 ASSI { 4431} (( segid "A " and resid 105 and name HB2 )) ( segid "A " and resid 105 and name HE% ) 4.100 2.100 1.900 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 3.092 ppm2 6.972 CV 1 ASSI { 4431} (( segid "B " and resid 105 and name HB2 )) ( segid "B " and resid 105 and name HE% ) 4.100 2.100 1.900 peak 4431 spectrum 1 weight 0.10000E+01 volume 0.92338E-03 ppm1 3.092 ppm2 6.972 CV 1 ASSI { 4433} (( segid "A " and resid 101 and name HA )) ( segid "A " and resid 105 and name HE% ) 4.400 2.400 1.600 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.53282E-03 ppm1 4.078 ppm2 6.972 CV 1 ASSI { 4433} (( segid "B " and resid 101 and name HA )) ( segid "B " and resid 105 and name HE% ) 4.300 2.400 1.700 peak 4433 spectrum 1 weight 0.10000E+01 volume 0.53282E-03 ppm1 4.078 ppm2 6.972 CV 1 ASSI { 4437} (( segid "A " and resid 86 and name HA )) ( segid "A " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.50496E-03 ppm1 4.856 ppm2 6.972 CV 1 ASSI { 4437} (( segid "B " and resid 86 and name HA )) ( segid "B " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4437 spectrum 1 weight 0.10000E+01 volume 0.50496E-03 ppm1 4.856 ppm2 6.972 CV 1 ASSI { 4439} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 111 and name HD% ) 5.200 3.300 0.800 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.23197E-03 ppm1 3.956 ppm2 6.972 CV 1 ASSI { 4439} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 111 and name HD% ) 5.200 3.300 0.800 peak 4439 spectrum 1 weight 0.10000E+01 volume 0.23197E-03 ppm1 3.956 ppm2 6.972 CV 1 ASSI { 4441} (( segid "A " and resid 111 and name HB3 )) ( segid "A " and resid 111 and name HD% ) 2.500 0.800 0.800 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.29931E-02 ppm1 3.020 ppm2 6.972 CV 1 ASSI { 4441} (( segid "B " and resid 111 and name HB3 )) ( segid "B " and resid 111 and name HD% ) 2.500 0.800 0.800 peak 4441 spectrum 1 weight 0.10000E+01 volume 0.29931E-02 ppm1 3.020 ppm2 6.972 CV 1 ASSI { 4443} (( segid "A " and resid 25 and name HA )) ( segid "A " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4443 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 5.095 ppm2 6.978 CV 1 ASSI { 4443} (( segid "B " and resid 25 and name HA )) ( segid "B " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4443 spectrum 1 weight 0.10000E+01 volume 0.85715E-03 ppm1 5.095 ppm2 6.978 CV 1 ASSI { 4444} ( segid "A " and resid 109 and name HG2%) ( segid "A " and resid 111 and name HD% ) 2.900 1.100 1.100 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.31845E-02 ppm1 1.032 ppm2 6.978 CV 1 ASSI { 4444} ( segid "B " and resid 109 and name HG2%) ( segid "B " and resid 111 and name HD% ) 2.900 1.100 1.100 peak 4444 spectrum 1 weight 0.10000E+01 volume 0.31845E-02 ppm1 1.032 ppm2 6.978 CV 1 ASSI { 4447} (( segid "A " and resid 25 and name HB3 )) ( segid "A " and resid 111 and name HD% ) 3.800 1.900 1.900 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.27911E-02 ppm1 1.820 ppm2 6.978 CV 1 ASSI { 4447} (( segid "B " and resid 25 and name HB3 )) ( segid "B " and resid 111 and name HD% ) 3.800 1.900 1.900 peak 4447 spectrum 1 weight 0.10000E+01 volume 0.27911E-02 ppm1 1.820 ppm2 6.978 CV 1 ASSI { 4448} (( segid "A " and resid 111 and name HB2 )) ( segid "A " and resid 111 and name HD% ) 2.600 0.900 0.900 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 2.893 ppm2 6.978 CV 1 ASSI { 4448} (( segid "B " and resid 111 and name HB2 )) ( segid "B " and resid 111 and name HD% ) 2.600 0.900 0.900 peak 4448 spectrum 1 weight 0.10000E+01 volume 0.38027E-02 ppm1 2.893 ppm2 6.978 CV 1 ASSI { 4450} ( segid "A " and resid 33 and name HD2%) ( segid "A " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 0.056 ppm2 6.978 CV 1 ASSI { 4450} ( segid "B " and resid 33 and name HD2%) ( segid "B " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 4450 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 0.056 ppm2 6.978 CV 1 ASSI { 4452} (( segid "A " and resid 112 and name HN )) ( segid "A " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 8.797 ppm2 6.978 CV 1 ASSI { 4452} (( segid "B " and resid 112 and name HN )) ( segid "B " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4452 spectrum 1 weight 0.10000E+01 volume 0.78374E-03 ppm1 8.797 ppm2 6.978 CV 1 ASSI { 4453} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.24997E-03 ppm1 8.752 ppm2 6.978 CV 1 ASSI { 4453} (( segid "B " and resid 86 and name HN )) ( segid "B " and resid 111 and name HD% ) 4.300 2.300 1.700 peak 4453 spectrum 1 weight 0.10000E+01 volume 0.24997E-03 ppm1 8.752 ppm2 6.978 CV 1 ASSI { 4457} (( segid "A " and resid 25 and name HB2 )) ( segid "A " and resid 111 and name HD% ) 3.100 1.200 1.200 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.29230E-02 ppm1 1.622 ppm2 6.978 CV 1 ASSI { 4457} (( segid "B " and resid 25 and name HB2 )) ( segid "B " and resid 111 and name HD% ) 3.100 1.200 1.200 peak 4457 spectrum 1 weight 0.10000E+01 volume 0.29230E-02 ppm1 1.622 ppm2 6.978 CV 1 ASSI { 4458} ( segid "A " and resid 40 and name HG2%) ( segid "A " and resid 111 and name HD% ) 3.100 1.200 1.200 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.19141E-02 ppm1 0.666 ppm2 6.978 CV 1 ASSI { 4458} ( segid "B " and resid 40 and name HG2%) ( segid "B " and resid 111 and name HD% ) 3.100 1.200 1.200 peak 4458 spectrum 1 weight 0.10000E+01 volume 0.19141E-02 ppm1 0.666 ppm2 6.978 CV 1 ASSI { 4459} (( segid "A " and resid 23 and name HB )) ( segid "A " and resid 111 and name HD% ) 2.500 0.800 0.800 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.41550E-02 ppm1 2.054 ppm2 6.978 CV 1 ASSI { 4459} (( segid "B " and resid 23 and name HB )) ( segid "B " and resid 111 and name HD% ) 2.500 0.800 0.800 peak 4459 spectrum 1 weight 0.10000E+01 volume 0.41550E-02 ppm1 2.054 ppm2 6.978 CV 1 ASSI { 4461} ( segid "A " and resid 25 and name HD1%) ( segid "A " and resid 111 and name HD% ) 2.800 1.000 1.000 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.30361E-02 ppm1 0.579 ppm2 6.978 CV 1 ASSI { 4461} ( segid "B " and resid 25 and name HD1%) ( segid "B " and resid 111 and name HD% ) 2.800 1.000 1.000 peak 4461 spectrum 1 weight 0.10000E+01 volume 0.30361E-02 ppm1 0.579 ppm2 6.978 CV 1 ASSI { 4462} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.21724E-02 ppm1 0.945 ppm2 6.978 CV 1 ASSI { 4462} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 4462 spectrum 1 weight 0.10000E+01 volume 0.21724E-02 ppm1 0.945 ppm2 6.978 CV 1 ASSI { 4463} ( segid "A " and resid 86 and name HG2%) ( segid "A " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.30605E-02 ppm1 0.818 ppm2 6.978 CV 1 ASSI { 4463} ( segid "B " and resid 86 and name HG2%) ( segid "B " and resid 111 and name HD% ) 3.600 1.600 1.600 peak 4463 spectrum 1 weight 0.10000E+01 volume 0.30605E-02 ppm1 0.818 ppm2 6.978 CV 1 ASSI { 4464} (( segid "A " and resid 110 and name HA )) ( segid "A " and resid 111 and name HD% ) 3.800 1.800 1.800 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.85439E-03 ppm1 4.551 ppm2 6.978 CV 1 ASSI { 4464} (( segid "B " and resid 110 and name HA )) ( segid "B " and resid 111 and name HD% ) 3.800 1.800 1.800 peak 4464 spectrum 1 weight 0.10000E+01 volume 0.85439E-03 ppm1 4.551 ppm2 6.978 CV 1 ASSI { 4469} (( segid "A " and resid 65 and name HB2 )) (( segid "A " and resid 64 and name HD2 )) 4.800 2.900 1.200 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.27188E-03 ppm1 1.352 ppm2 7.019 CV 1 ASSI { 4469} (( segid "B " and resid 65 and name HB2 )) (( segid "B " and resid 64 and name HD2 )) 4.800 2.900 1.200 peak 4469 spectrum 1 weight 0.10000E+01 volume 0.27188E-03 ppm1 1.352 ppm2 7.019 CV 1 ASSI { 4472} (( segid "A " and resid 64 and name HB3 )) (( segid "A " and resid 64 and name HD2 )) 3.200 1.300 1.300 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 3.270 ppm2 7.019 CV 1 ASSI { 4472} (( segid "B " and resid 64 and name HB3 )) (( segid "B " and resid 64 and name HD2 )) 3.200 1.300 1.300 peak 4472 spectrum 1 weight 0.10000E+01 volume 0.24257E-02 ppm1 3.270 ppm2 7.019 CV 1 ASSI { 4474} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 64 and name HD2 )) 4.300 2.300 1.700 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.40616E-03 ppm1 8.401 ppm2 7.019 CV 1 ASSI { 4474} (( segid "B " and resid 44 and name HN )) (( segid "B " and resid 64 and name HD2 )) 4.300 2.300 1.700 peak 4474 spectrum 1 weight 0.10000E+01 volume 0.40616E-03 ppm1 8.401 ppm2 7.019 CV 1 ASSI { 4476} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 64 and name HD2 )) 3.900 1.900 1.900 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.33424E-03 ppm1 5.629 ppm2 7.019 CV 1 ASSI { 4476} (( segid "B " and resid 45 and name HA )) (( segid "B " and resid 64 and name HD2 )) 3.900 1.900 1.900 peak 4476 spectrum 1 weight 0.10000E+01 volume 0.33424E-03 ppm1 5.629 ppm2 7.019 CV 1 ASSI { 4477} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 5.039 ppm2 7.019 CV 1 ASSI { 4477} (( segid "B " and resid 64 and name HA )) (( segid "B " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 4477 spectrum 1 weight 0.10000E+01 volume 0.21840E-02 ppm1 5.039 ppm2 7.019 CV 1 ASSI { 4478} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.24009E-02 ppm1 0.244 ppm2 7.019 CV 1 ASSI { 4478} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 64 and name HD2 )) 2.900 1.000 1.000 peak 4478 spectrum 1 weight 0.10000E+01 volume 0.24009E-02 ppm1 0.244 ppm2 7.019 CV 1 ASSI { 4481} (( segid "A " and resid 44 and name HB3 )) (( segid "A " and resid 64 and name HD2 )) 2.600 0.900 0.900 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.21017E-02 ppm1 2.903 ppm2 7.019 CV 1 ASSI { 4481} (( segid "B " and resid 44 and name HB3 )) (( segid "B " and resid 64 and name HD2 )) 2.600 0.900 0.900 peak 4481 spectrum 1 weight 0.10000E+01 volume 0.21017E-02 ppm1 2.903 ppm2 7.019 CV 1 ASSI { 4485} (( segid "A " and resid 102 and name HA )) (( segid "B " and resid 11 and name HZ )) 4.700 2.700 1.300 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.39633E-03 ppm1 3.829 ppm2 7.025 CV 1 ASSI { 4485} (( segid "B " and resid 102 and name HA )) (( segid "A " and resid 11 and name HZ )) 4.600 2.700 1.400 peak 4485 spectrum 1 weight 0.10000E+01 volume 0.39633E-03 ppm1 3.829 ppm2 7.025 CV 1 ASSI { 4492} ( segid "A " and resid 101 and name HG2%) (( segid "B " and resid 11 and name HZ )) 3.500 1.500 1.500 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.83893E-03 ppm1 1.169 ppm2 7.025 CV 1 ASSI { 4492} ( segid "B " and resid 101 and name HG2%) (( segid "A " and resid 11 and name HZ )) 3.500 1.500 1.500 peak 4492 spectrum 1 weight 0.10000E+01 volume 0.83893E-03 ppm1 1.169 ppm2 7.025 CV 1 ASSI { 4497} (( segid "A " and resid 70 and name HB2 )) (( segid "B " and resid 11 and name HZ )) 5.200 3.300 0.800 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.36714E-03 ppm1 1.424 ppm2 7.025 CV 1 ASSI { 4497} (( segid "B " and resid 70 and name HB2 )) (( segid "A " and resid 11 and name HZ )) 5.100 3.300 0.900 peak 4497 spectrum 1 weight 0.10000E+01 volume 0.36714E-03 ppm1 1.424 ppm2 7.025 CV 1 ASSI { 4499} ( segid "A " and resid 98 and name HB% ) (( segid "B " and resid 11 and name HZ )) 5.600 3.900 0.400 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 1.322 ppm2 7.025 CV 1 ASSI { 4499} ( segid "B " and resid 98 and name HB% ) (( segid "A " and resid 11 and name HZ )) 5.600 3.900 0.400 peak 4499 spectrum 1 weight 0.10000E+01 volume 0.26410E-03 ppm1 1.322 ppm2 7.025 CV 1 ASSI { 4504} ( segid "A " and resid 11 and name HE% ) (( segid "A " and resid 11 and name HZ )) 2.100 0.500 0.500 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.79035E-02 ppm1 7.175 ppm2 7.025 CV 1 ASSI { 4504} ( segid "B " and resid 11 and name HE% ) (( segid "B " and resid 11 and name HZ )) 2.100 0.500 0.500 peak 4504 spectrum 1 weight 0.10000E+01 volume 0.79035E-02 ppm1 7.175 ppm2 7.025 CV 1 ASSI { 4507} ( segid "A " and resid 11 and name HD% ) (( segid "A " and resid 11 and name HZ )) 3.300 1.400 1.400 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.18318E-02 ppm1 7.374 ppm2 7.025 CV 1 ASSI { 4507} ( segid "B " and resid 11 and name HD% ) (( segid "B " and resid 11 and name HZ )) 3.300 1.400 1.400 peak 4507 spectrum 1 weight 0.10000E+01 volume 0.18318E-02 ppm1 7.374 ppm2 7.025 CV 1 ASSI { 4511} (( segid "A " and resid 70 and name HG )) (( segid "B " and resid 11 and name HZ )) 2.900 1.000 1.000 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 1.001 ppm2 7.025 CV 1 ASSI { 4511} (( segid "B " and resid 70 and name HG )) (( segid "A " and resid 11 and name HZ )) 2.900 1.000 1.000 peak 4511 spectrum 1 weight 0.10000E+01 volume 0.37648E-02 ppm1 1.001 ppm2 7.025 CV 1 ASSI { 4514} (( segid "A " and resid 101 and name HA )) (( segid "B " and resid 11 and name HZ )) 4.100 2.100 1.900 peak 4514 spectrum 1 weight 0.10000E+01 volume 0.98574E-03 ppm1 4.063 ppm2 7.025 CV 1 ASSI { 4514} (( segid "B " and resid 101 and name HA )) (( segid "A " and resid 11 and name HZ )) 4.100 2.100 1.900 peak 4514 spectrum 1 weight 0.10000E+01 volume 0.98574E-03 ppm1 4.063 ppm2 7.025 CV 1 ASSI { 4523} (( segid "A " and resid 120 and name HE3 )) (( segid "A " and resid 120 and name HZ3 )) 2.500 0.800 0.800 peak 4523 spectrum 1 weight 0.10000E+01 volume 0.35002E-02 ppm1 7.618 ppm2 7.031 CV 1 ASSI { 4523} (( segid "B " and resid 120 and name HE3 )) (( segid "B " and resid 120 and name HZ3 )) 2.500 0.800 0.800 peak 4523 spectrum 1 weight 0.10000E+01 volume 0.35002E-02 ppm1 7.618 ppm2 7.031 CV 1 ASSI { 4525} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 120 and name HZ3 )) 3.800 1.800 1.800 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.79146E-03 ppm1 8.757 ppm2 7.031 CV 1 OR { 4525} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 120 and name HZ2 )) ASSI { 4525} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 120 and name HZ3 )) 3.800 1.800 1.800 peak 4525 spectrum 1 weight 0.10000E+01 volume 0.79146E-03 ppm1 8.757 ppm2 7.031 CV 1 OR { 4525} (( segid "B " and resid 31 and name HN )) (( segid "B " and resid 120 and name HZ2 )) ASSI { 4527} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 120 and name HZ2 )) 3.300 1.300 1.300 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 0.940 ppm2 7.031 CV 1 OR { 4527} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 120 and name HZ3 )) ASSI { 4527} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 120 and name HZ2 )) 3.300 1.300 1.300 peak 4527 spectrum 1 weight 0.10000E+01 volume 0.18153E-02 ppm1 0.940 ppm2 7.031 CV 1 OR { 4527} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 120 and name HZ3 )) ASSI { 4529} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 120 and name HZ2 )) 3.200 1.200 1.200 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.17170E-02 ppm1 2.730 ppm2 7.031 CV 1 OR { 4529} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 120 and name HZ3 )) ASSI { 4529} (( segid "B " and resid 31 and name HB2 )) (( segid "B " and resid 120 and name HZ2 )) 3.200 1.200 1.200 peak 4529 spectrum 1 weight 0.10000E+01 volume 0.17170E-02 ppm1 2.730 ppm2 7.031 CV 1 OR { 4529} (( segid "B " and resid 31 and name HB2 )) (( segid "B " and resid 120 and name HZ3 )) ASSI { 4530} (( segid "A " and resid 120 and name HD1 )) (( segid "A " and resid 120 and name HZ2 )) 4.500 2.500 1.500 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.49497E-03 ppm1 6.585 ppm2 7.031 CV 1 ASSI { 4530} (( segid "B " and resid 120 and name HD1 )) (( segid "B " and resid 120 and name HZ2 )) 4.500 2.500 1.500 peak 4530 spectrum 1 weight 0.10000E+01 volume 0.49497E-03 ppm1 6.585 ppm2 7.031 CV 1 ASSI { 4531} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 120 and name HZ3 )) 3.300 1.400 1.400 peak 4531 spectrum 1 weight 0.10000E+01 volume 0.60436E-03 ppm1 4.582 ppm2 7.031 CV 1 ASSI { 4531} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 120 and name HZ3 )) 3.300 1.400 1.400 peak 4531 spectrum 1 weight 0.10000E+01 volume 0.60436E-03 ppm1 4.582 ppm2 7.031 CV 1 ASSI { 4536} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 107 and name HE% ) 2.500 0.800 0.800 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.35317E-02 ppm1 -0.082 ppm2 7.084 CV 1 ASSI { 4536} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 107 and name HE% ) 2.500 0.800 0.800 peak 4536 spectrum 1 weight 0.10000E+01 volume 0.35317E-02 ppm1 -0.082 ppm2 7.084 CV 1 ASSI { 4539} ( segid "A " and resid 107 and name HD% ) ( segid "A " and resid 107 and name HE% ) 2.300 0.600 0.600 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.71475E-02 ppm1 7.572 ppm2 7.084 CV 1 ASSI { 4539} ( segid "B " and resid 107 and name HD% ) ( segid "B " and resid 107 and name HE% ) 2.300 0.600 0.600 peak 4539 spectrum 1 weight 0.10000E+01 volume 0.71475E-02 ppm1 7.572 ppm2 7.084 CV 1 ASSI { 4540} ( segid "A " and resid 79 and name HD2%) ( segid "A " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.20918E-02 ppm1 0.869 ppm2 7.084 CV 1 ASSI { 4540} ( segid "B " and resid 79 and name HD2%) ( segid "B " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4540 spectrum 1 weight 0.10000E+01 volume 0.20918E-02 ppm1 0.869 ppm2 7.084 CV 1 ASSI { 4541} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 0.788 ppm2 7.084 CV 1 ASSI { 4541} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4541 spectrum 1 weight 0.10000E+01 volume 0.24169E-02 ppm1 0.788 ppm2 7.084 CV 1 ASSI { 4543} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 107 and name HE% ) 4.300 2.400 1.700 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.98187E-03 ppm1 0.457 ppm2 7.084 CV 1 ASSI { 4543} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 107 and name HE% ) 4.300 2.300 1.700 peak 4543 spectrum 1 weight 0.10000E+01 volume 0.98187E-03 ppm1 0.457 ppm2 7.084 CV 1 ASSI { 4545} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4545 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 1.052 ppm2 7.084 CV 1 ASSI { 4545} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 107 and name HE% ) 2.700 0.900 0.900 peak 4545 spectrum 1 weight 0.10000E+01 volume 0.33148E-02 ppm1 1.052 ppm2 7.084 CV 1 ASSI { 4548} (( segid "A " and resid 105 and name HB2 )) ( segid "A " and resid 107 and name HE% ) 3.500 1.500 1.500 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.64189E-03 ppm1 3.086 ppm2 7.084 CV 1 ASSI { 4548} (( segid "B " and resid 105 and name HB2 )) ( segid "B " and resid 107 and name HE% ) 3.500 1.500 1.500 peak 4548 spectrum 1 weight 0.10000E+01 volume 0.64189E-03 ppm1 3.086 ppm2 7.084 CV 1 ASSI { 4549} ( segid "A " and resid 79 and name HD1%) ( segid "A " and resid 107 and name HE% ) 3.400 1.400 1.400 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.32890E-02 ppm1 0.737 ppm2 7.084 CV 1 ASSI { 4549} ( segid "B " and resid 79 and name HD1%) ( segid "B " and resid 107 and name HE% ) 3.400 1.400 1.400 peak 4549 spectrum 1 weight 0.10000E+01 volume 0.32890E-02 ppm1 0.737 ppm2 7.084 CV 1 ASSI { 4551} (( segid "A " and resid 34 and name HB2 )) ( segid "A " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.14367E-02 ppm1 1.647 ppm2 7.090 CV 1 ASSI { 4551} (( segid "B " and resid 34 and name HB2 )) ( segid "B " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4551 spectrum 1 weight 0.10000E+01 volume 0.14367E-02 ppm1 1.647 ppm2 7.090 CV 1 ASSI { 4552} (( segid "A " and resid 42 and name HB2 )) ( segid "A " and resid 31 and name HD% ) 4.900 3.000 1.100 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.90903E-03 ppm1 1.520 ppm2 7.090 CV 1 ASSI { 4552} (( segid "B " and resid 42 and name HB2 )) ( segid "B " and resid 31 and name HD% ) 4.900 3.000 1.100 peak 4552 spectrum 1 weight 0.10000E+01 volume 0.90903E-03 ppm1 1.520 ppm2 7.090 CV 1 ASSI { 4559} (( segid "A " and resid 126 and name HD3 )) ( segid "A " and resid 31 and name HD% ) 5.100 3.200 0.900 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.17800E-03 ppm1 3.285 ppm2 7.090 CV 1 ASSI { 4559} (( segid "B " and resid 126 and name HD3 )) ( segid "B " and resid 31 and name HD% ) 5.100 3.200 0.900 peak 4559 spectrum 1 weight 0.10000E+01 volume 0.17800E-03 ppm1 3.285 ppm2 7.090 CV 1 ASSI { 4563} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 31 and name HD% ) 2.900 1.100 1.100 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.19770E-02 ppm1 0.935 ppm2 7.090 CV 1 ASSI { 4563} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 31 and name HD% ) 2.900 1.100 1.100 peak 4563 spectrum 1 weight 0.10000E+01 volume 0.19770E-02 ppm1 0.935 ppm2 7.090 CV 1 ASSI { 4564} (( segid "A " and resid 31 and name HA )) ( segid "A " and resid 31 and name HD% ) 2.400 0.700 0.700 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.43093E-02 ppm1 4.114 ppm2 7.090 CV 1 ASSI { 4564} (( segid "B " and resid 31 and name HA )) ( segid "B " and resid 31 and name HD% ) 2.400 0.700 0.700 peak 4564 spectrum 1 weight 0.10000E+01 volume 0.43093E-02 ppm1 4.114 ppm2 7.090 CV 1 ASSI { 4571} (( segid "A " and resid 28 and name HA )) ( segid "A " and resid 31 and name HD% ) 3.500 1.500 1.500 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 3.758 ppm2 7.090 CV 1 ASSI { 4571} (( segid "B " and resid 28 and name HA )) ( segid "B " and resid 31 and name HD% ) 3.500 1.500 1.500 peak 4571 spectrum 1 weight 0.10000E+01 volume 0.97250E-03 ppm1 3.758 ppm2 7.090 CV 1 ASSI { 4573} (( segid "A " and resid 34 and name HG )) ( segid "A " and resid 31 and name HD% ) 4.100 2.100 1.900 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.12396E-02 ppm1 1.724 ppm2 7.090 CV 1 ASSI { 4573} (( segid "B " and resid 34 and name HG )) ( segid "B " and resid 31 and name HD% ) 4.100 2.100 1.900 peak 4573 spectrum 1 weight 0.10000E+01 volume 0.12396E-02 ppm1 1.724 ppm2 7.090 CV 1 ASSI { 4585} (( segid "A " and resid 11 and name HB2 )) ( segid "A " and resid 11 and name HE% ) 3.900 1.900 1.900 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 3.376 ppm2 7.172 CV 1 ASSI { 4585} (( segid "B " and resid 11 and name HB2 )) ( segid "B " and resid 11 and name HE% ) 3.900 1.900 1.900 peak 4585 spectrum 1 weight 0.10000E+01 volume 0.12109E-02 ppm1 3.376 ppm2 7.172 CV 1 ASSI { 4589} ( segid "A " and resid 11 and name HD% ) ( segid "A " and resid 11 and name HE% ) 2.200 0.600 0.600 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.71860E-02 ppm1 7.374 ppm2 7.172 CV 1 ASSI { 4589} ( segid "B " and resid 11 and name HD% ) ( segid "B " and resid 11 and name HE% ) 2.200 0.600 0.600 peak 4589 spectrum 1 weight 0.10000E+01 volume 0.71860E-02 ppm1 7.374 ppm2 7.172 CV 1 ASSI { 4596} (( segid "A " and resid 11 and name HB3 )) ( segid "A " and resid 11 and name HD% ) 2.700 0.900 0.900 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.31006E-02 ppm1 3.590 ppm2 7.371 CV 1 ASSI { 4596} (( segid "B " and resid 11 and name HB3 )) ( segid "B " and resid 11 and name HD% ) 2.700 0.900 0.900 peak 4596 spectrum 1 weight 0.10000E+01 volume 0.31006E-02 ppm1 3.590 ppm2 7.371 CV 1 ASSI { 4597} (( segid "A " and resid 15 and name HB )) ( segid "A " and resid 11 and name HD% ) 2.500 0.800 0.800 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.37485E-02 ppm1 1.708 ppm2 7.371 CV 1 ASSI { 4597} (( segid "B " and resid 15 and name HB )) ( segid "B " and resid 11 and name HD% ) 2.500 0.800 0.800 peak 4597 spectrum 1 weight 0.10000E+01 volume 0.37485E-02 ppm1 1.708 ppm2 7.371 CV 1 ASSI { 4600} (( segid "A " and resid 74 and name HG )) ( segid "B " and resid 11 and name HD% ) 4.900 3.000 1.100 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.48557E-03 ppm1 1.500 ppm2 7.371 CV 1 ASSI { 4600} (( segid "B " and resid 74 and name HG )) ( segid "A " and resid 11 and name HD% ) 4.900 3.000 1.100 peak 4600 spectrum 1 weight 0.10000E+01 volume 0.48557E-03 ppm1 1.500 ppm2 7.371 CV 1 ASSI { 4601} ( segid "A " and resid 105 and name HE% ) ( segid "B " and resid 11 and name HD% ) 2.800 1.000 1.000 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 6.972 ppm2 7.371 CV 1 ASSI { 4601} ( segid "B " and resid 105 and name HE% ) ( segid "A " and resid 11 and name HD% ) 2.800 1.000 1.000 peak 4601 spectrum 1 weight 0.10000E+01 volume 0.16083E-02 ppm1 6.972 ppm2 7.371 CV 1 ASSI { 4606} (( segid "A " and resid 12 and name HD3 )) ( segid "A " and resid 11 and name HD% ) 3.600 1.600 1.600 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.17728E-02 ppm1 1.622 ppm2 7.371 CV 1 OR { 4606} (( segid "A " and resid 12 and name HD2 )) ( segid "A " and resid 11 and name HD% ) ASSI { 4606} (( segid "B " and resid 12 and name HD3 )) ( segid "B " and resid 11 and name HD% ) 3.600 1.600 1.600 peak 4606 spectrum 1 weight 0.10000E+01 volume 0.17728E-02 ppm1 1.622 ppm2 7.371 CV 1 OR { 4606} (( segid "B " and resid 12 and name HD2 )) ( segid "B " and resid 11 and name HD% ) ASSI { 4609} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 11 and name HD% ) 4.000 2.000 2.000 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 3.264 ppm2 7.371 CV 1 ASSI { 4609} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 11 and name HD% ) 4.000 2.000 2.000 peak 4609 spectrum 1 weight 0.10000E+01 volume 0.13715E-02 ppm1 3.264 ppm2 7.371 CV 1 ASSI { 4614} ( segid "A " and resid 79 and name HD1%) ( segid "B " and resid 11 and name HD% ) 5.400 3.600 0.600 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.34209E-03 ppm1 0.722 ppm2 7.371 CV 1 ASSI { 4614} ( segid "B " and resid 79 and name HD1%) ( segid "A " and resid 11 and name HD% ) 5.300 3.600 0.700 peak 4614 spectrum 1 weight 0.10000E+01 volume 0.34209E-03 ppm1 0.722 ppm2 7.371 CV 1 ASSI { 4617} (( segid "A " and resid 11 and name HB2 )) ( segid "A " and resid 11 and name HD% ) 2.300 0.600 0.600 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.47068E-02 ppm1 3.361 ppm2 7.371 CV 1 ASSI { 4617} (( segid "B " and resid 11 and name HB2 )) ( segid "B " and resid 11 and name HD% ) 2.300 0.600 0.600 peak 4617 spectrum 1 weight 0.10000E+01 volume 0.47068E-02 ppm1 3.361 ppm2 7.371 CV 1 ASSI { 4618} (( segid "A " and resid 70 and name HG )) ( segid "B " and resid 11 and name HD% ) 3.200 1.300 1.300 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 1.012 ppm2 7.371 CV 1 ASSI { 4618} (( segid "B " and resid 70 and name HG )) ( segid "A " and resid 11 and name HD% ) 3.200 1.300 1.300 peak 4618 spectrum 1 weight 0.10000E+01 volume 0.18197E-02 ppm1 1.012 ppm2 7.371 CV 1 ASSI { 4626} (( segid "A " and resid 105 and name HB3 )) ( segid "A " and resid 105 and name HD% ) 2.600 0.900 0.900 peak 4626 spectrum 1 weight 0.10000E+01 volume 0.62919E-02 ppm1 3.493 ppm2 7.436 CV 1 ASSI { 4626} (( segid "B " and resid 105 and name HB3 )) ( segid "B " and resid 105 and name HD% ) 2.600 0.900 0.900 peak 4626 spectrum 1 weight 0.10000E+01 volume 0.62919E-02 ppm1 3.493 ppm2 7.436 CV 1 ASSI { 4628} (( segid "A " and resid 105 and name HA )) ( segid "A " and resid 105 and name HD% ) 2.500 0.800 0.800 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.38238E-02 ppm1 4.332 ppm2 7.436 CV 1 ASSI { 4628} (( segid "B " and resid 105 and name HA )) ( segid "B " and resid 105 and name HD% ) 2.500 0.800 0.800 peak 4628 spectrum 1 weight 0.10000E+01 volume 0.38238E-02 ppm1 4.332 ppm2 7.436 CV 1 ASSI { 4635} (( segid "A " and resid 105 and name HB2 )) ( segid "A " and resid 105 and name HD% ) 2.400 0.700 0.700 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.39844E-02 ppm1 3.086 ppm2 7.436 CV 1 ASSI { 4635} (( segid "B " and resid 105 and name HB2 )) ( segid "B " and resid 105 and name HD% ) 2.400 0.700 0.700 peak 4635 spectrum 1 weight 0.10000E+01 volume 0.39844E-02 ppm1 3.086 ppm2 7.436 CV 1 ASSI { 4644} (( segid "A " and resid 8 and name HB2 )) ( segid "A " and resid 7 and name HD% ) 4.100 2.100 1.900 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.59553E-03 ppm1 2.908 ppm2 7.454 CV 1 OR { 4644} (( segid "A " and resid 8 and name HB3 )) ( segid "A " and resid 7 and name HD% ) ASSI { 4644} (( segid "B " and resid 8 and name HB2 )) ( segid "B " and resid 7 and name HD% ) 4.100 2.100 1.900 peak 4644 spectrum 1 weight 0.10000E+01 volume 0.59553E-03 ppm1 2.908 ppm2 7.454 CV 1 OR { 4644} (( segid "B " and resid 8 and name HB3 )) ( segid "B " and resid 7 and name HD% ) ASSI { 4645} (( segid "A " and resid 7 and name HB3 )) ( segid "A " and resid 7 and name HD% ) 2.400 0.700 0.700 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.44293E-02 ppm1 3.437 ppm2 7.454 CV 1 ASSI { 4645} (( segid "B " and resid 7 and name HB3 )) ( segid "B " and resid 7 and name HD% ) 2.400 0.700 0.700 peak 4645 spectrum 1 weight 0.10000E+01 volume 0.44293E-02 ppm1 3.437 ppm2 7.454 CV 1 ASSI { 4650} (( segid "A " and resid 7 and name HA )) ( segid "A " and resid 7 and name HD% ) 2.900 1.100 1.100 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.65954E-02 ppm1 4.983 ppm2 7.454 CV 1 ASSI { 4650} (( segid "B " and resid 7 and name HA )) ( segid "B " and resid 7 and name HD% ) 2.900 1.100 1.100 peak 4650 spectrum 1 weight 0.10000E+01 volume 0.65954E-02 ppm1 4.983 ppm2 7.454 CV 1 ASSI { 4651} ( segid "A " and resid 3 and name HE% ) ( segid "A " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.83340E-03 ppm1 1.927 ppm2 7.454 CV 1 ASSI { 4651} ( segid "B " and resid 3 and name HE% ) ( segid "B " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4651 spectrum 1 weight 0.10000E+01 volume 0.83340E-03 ppm1 1.927 ppm2 7.454 CV 1 ASSI { 4656} (( segid "A " and resid 7 and name HB2 )) ( segid "A " and resid 7 and name HD% ) 2.500 0.800 0.800 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.50694E-02 ppm1 3.325 ppm2 7.459 CV 1 ASSI { 4656} (( segid "B " and resid 7 and name HB2 )) ( segid "B " and resid 7 and name HD% ) 2.500 0.800 0.800 peak 4656 spectrum 1 weight 0.10000E+01 volume 0.50694E-02 ppm1 3.325 ppm2 7.459 CV 1 ASSI { 4659} ( segid "A " and resid 7 and name HE% ) ( segid "A " and resid 7 and name HD% ) 2.100 0.600 0.600 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 7.572 ppm2 7.459 CV 1 ASSI { 4659} ( segid "B " and resid 7 and name HE% ) ( segid "B " and resid 7 and name HD% ) 2.100 0.600 0.600 peak 4659 spectrum 1 weight 0.10000E+01 volume 0.10680E-01 ppm1 7.572 ppm2 7.459 CV 1 ASSI { 4666} (( segid "A " and resid 4 and name HA1 )) ( segid "A " and resid 7 and name HD% ) 2.900 1.000 1.000 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.27811E-02 ppm1 3.956 ppm2 7.459 CV 1 ASSI { 4666} (( segid "B " and resid 4 and name HA1 )) ( segid "B " and resid 7 and name HD% ) 2.900 1.000 1.000 peak 4666 spectrum 1 weight 0.10000E+01 volume 0.27811E-02 ppm1 3.956 ppm2 7.459 CV 1 ASSI { 4674} ( segid "A " and resid 18 and name HB% ) (( segid "A " and resid 96 and name HN )) 3.900 1.900 1.900 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 1.403 ppm2 7.565 CV 1 ASSI { 4674} ( segid "B " and resid 18 and name HB% ) (( segid "B " and resid 96 and name HN )) 3.900 1.900 1.900 peak 4674 spectrum 1 weight 0.10000E+01 volume 0.20907E-02 ppm1 1.403 ppm2 7.565 CV 1 ASSI { 4684} (( segid "A " and resid 107 and name HB3 )) ( segid "A " and resid 107 and name HD% ) 2.600 0.800 0.800 peak 4684 spectrum 1 weight 0.10000E+01 volume 0.34761E-02 ppm1 2.929 ppm2 7.571 CV 1 ASSI { 4684} (( segid "B " and resid 107 and name HB3 )) ( segid "B " and resid 107 and name HD% ) 2.600 0.800 0.800 peak 4684 spectrum 1 weight 0.10000E+01 volume 0.34761E-02 ppm1 2.929 ppm2 7.571 CV 1 ASSI { 4688} (( segid "A " and resid 107 and name HB2 )) ( segid "A " and resid 107 and name HD% ) 2.700 0.900 0.900 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.32712E-02 ppm1 2.649 ppm2 7.571 CV 1 ASSI { 4688} (( segid "B " and resid 107 and name HB2 )) ( segid "B " and resid 107 and name HD% ) 2.700 0.900 0.900 peak 4688 spectrum 1 weight 0.10000E+01 volume 0.32712E-02 ppm1 2.649 ppm2 7.571 CV 1 ASSI { 4692} (( segid "A " and resid 7 and name HZ )) ( segid "A " and resid 7 and name HE% ) 2.100 0.500 0.500 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.75504E-02 ppm1 6.834 ppm2 7.571 CV 1 ASSI { 4692} (( segid "B " and resid 7 and name HZ )) ( segid "B " and resid 7 and name HE% ) 2.100 0.500 0.500 peak 4692 spectrum 1 weight 0.10000E+01 volume 0.75504E-02 ppm1 6.834 ppm2 7.571 CV 1 ASSI { 4697} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 107 and name HD% ) 3.300 1.400 1.400 peak 4697 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 7.770 ppm2 7.571 CV 1 ASSI { 4697} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 107 and name HD% ) 3.300 1.400 1.400 peak 4697 spectrum 1 weight 0.10000E+01 volume 0.10807E-02 ppm1 7.770 ppm2 7.571 CV 1 ASSI { 4701} (( segid "A " and resid 105 and name HB2 )) ( segid "A " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 3.081 ppm2 7.571 CV 1 ASSI { 4701} (( segid "B " and resid 105 and name HB2 )) ( segid "B " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 4701 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 3.081 ppm2 7.571 CV 1 ASSI { 4706} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 107 and name HD% ) 3.400 1.400 1.400 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.21255E-02 ppm1 1.052 ppm2 7.571 CV 1 ASSI { 4706} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 107 and name HD% ) 3.400 1.400 1.400 peak 4706 spectrum 1 weight 0.10000E+01 volume 0.21255E-02 ppm1 1.052 ppm2 7.571 CV 1 ASSI { 4707} ( segid "A " and resid 74 and name HD2%) ( segid "B " and resid 7 and name HE% ) 2.700 0.900 0.900 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 0.162 ppm2 7.571 CV 1 ASSI { 4707} ( segid "B " and resid 74 and name HD2%) ( segid "A " and resid 7 and name HE% ) 2.700 0.900 0.900 peak 4707 spectrum 1 weight 0.10000E+01 volume 0.21669E-02 ppm1 0.162 ppm2 7.571 CV 1 ASSI { 4721} (( segid "A " and resid 27 and name HB2 )) (( segid "A " and resid 120 and name HE3 )) 3.300 1.300 1.300 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.38872E-02 ppm1 1.647 ppm2 7.618 CV 1 ASSI { 4721} (( segid "B " and resid 27 and name HB2 )) (( segid "B " and resid 120 and name HE3 )) 3.300 1.300 1.300 peak 4721 spectrum 1 weight 0.10000E+01 volume 0.38872E-02 ppm1 1.647 ppm2 7.618 CV 1 ASSI { 4724} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 120 and name HE3 )) 2.400 0.700 0.700 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 2.654 ppm2 7.618 CV 1 ASSI { 4724} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 120 and name HE3 )) 2.400 0.700 0.700 peak 4724 spectrum 1 weight 0.10000E+01 volume 0.19704E-02 ppm1 2.654 ppm2 7.618 CV 1 ASSI { 4726} (( segid "A " and resid 117 and name HA )) (( segid "A " and resid 120 and name HE3 )) 4.900 3.000 1.100 peak 4726 spectrum 1 weight 0.10000E+01 volume 0.57124E-03 ppm1 4.322 ppm2 7.618 CV 1 ASSI { 4726} (( segid "B " and resid 117 and name HA )) (( segid "B " and resid 120 and name HE3 )) 4.900 3.000 1.100 peak 4726 spectrum 1 weight 0.10000E+01 volume 0.57124E-03 ppm1 4.322 ppm2 7.618 CV 1 ASSI { 4727} (( segid "A " and resid 119 and name HB3 )) (( segid "A " and resid 120 and name HE3 )) 3.600 1.600 1.600 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.98298E-03 ppm1 1.968 ppm2 7.618 CV 1 ASSI { 4727} (( segid "B " and resid 119 and name HB3 )) (( segid "B " and resid 120 and name HE3 )) 3.600 1.600 1.600 peak 4727 spectrum 1 weight 0.10000E+01 volume 0.98298E-03 ppm1 1.968 ppm2 7.618 CV 1 ASSI { 4728} (( segid "A " and resid 27 and name HG2 )) (( segid "A " and resid 120 and name HE3 )) 5.000 3.100 1.000 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.53775E-03 ppm1 1.998 ppm2 7.618 CV 1 ASSI { 4728} (( segid "B " and resid 27 and name HG2 )) (( segid "B " and resid 120 and name HE3 )) 5.000 3.100 1.000 peak 4728 spectrum 1 weight 0.10000E+01 volume 0.53775E-03 ppm1 1.998 ppm2 7.618 CV 1 ASSI { 4731} (( segid "A " and resid 27 and name HD3 )) (( segid "A " and resid 120 and name HE3 )) 3.500 1.500 1.500 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 4.048 ppm2 7.618 CV 1 ASSI { 4731} (( segid "B " and resid 27 and name HD3 )) (( segid "B " and resid 120 and name HE3 )) 3.500 1.500 1.500 peak 4731 spectrum 1 weight 0.10000E+01 volume 0.22772E-02 ppm1 4.048 ppm2 7.618 CV 1 ASSI { 4733} (( segid "A " and resid 120 and name HB2 )) (( segid "A " and resid 120 and name HE3 )) 2.700 0.900 0.900 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.22325E-02 ppm1 3.453 ppm2 7.618 CV 1 OR { 4733} (( segid "A " and resid 120 and name HB3 )) (( segid "A " and resid 120 and name HE3 )) ASSI { 4733} (( segid "B " and resid 120 and name HB2 )) (( segid "B " and resid 120 and name HE3 )) 2.700 0.900 0.900 peak 4733 spectrum 1 weight 0.10000E+01 volume 0.22325E-02 ppm1 3.453 ppm2 7.618 CV 1 OR { 4733} (( segid "B " and resid 120 and name HB3 )) (( segid "B " and resid 120 and name HE3 )) ASSI { 4736} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 120 and name HE3 )) 4.500 2.600 1.500 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.75006E-03 ppm1 4.577 ppm2 7.618 CV 1 ASSI { 4736} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 120 and name HE3 )) 4.500 2.600 1.500 peak 4736 spectrum 1 weight 0.10000E+01 volume 0.75006E-03 ppm1 4.577 ppm2 7.618 CV 1 ASSI { 4738} (( segid "A " and resid 27 and name HG3 )) (( segid "A " and resid 120 and name HE3 )) 4.100 2.100 1.900 peak 4738 spectrum 1 weight 0.10000E+01 volume 0.61706E-03 ppm1 2.217 ppm2 7.618 CV 1 ASSI { 4738} (( segid "B " and resid 27 and name HG3 )) (( segid "B " and resid 120 and name HE3 )) 4.100 2.100 1.900 peak 4738 spectrum 1 weight 0.10000E+01 volume 0.61706E-03 ppm1 2.217 ppm2 7.618 CV 1 ASSI { 4740} ( segid "A " and resid 88 and name HD% ) (( segid "A " and resid 120 and name HE3 )) 2.900 1.000 1.000 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.24793E-02 ppm1 6.936 ppm2 7.618 CV 1 ASSI { 4740} ( segid "B " and resid 88 and name HD% ) (( segid "B " and resid 120 and name HE3 )) 2.900 1.000 1.000 peak 4740 spectrum 1 weight 0.10000E+01 volume 0.24793E-02 ppm1 6.936 ppm2 7.618 CV 1 ASSI { 4741} (( segid "A " and resid 120 and name HA )) (( segid "A " and resid 120 and name HE3 )) 2.800 1.000 1.000 peak 4741 spectrum 1 weight 0.10000E+01 volume 0.20648E-02 ppm1 3.778 ppm2 7.618 CV 1 ASSI { 4741} (( segid "B " and resid 120 and name HA )) (( segid "B " and resid 120 and name HE3 )) 2.800 1.000 1.000 peak 4741 spectrum 1 weight 0.10000E+01 volume 0.20648E-02 ppm1 3.778 ppm2 7.618 CV 1 ASSI { 4747} (( segid "A " and resid 73 and name HB3 )) (( segid "A " and resid 65 and name HN )) 3.900 1.900 1.900 peak 4747 spectrum 1 weight 0.10000E+01 volume 0.85988E-03 ppm1 1.800 ppm2 7.982 CV 1 ASSI { 4747} (( segid "B " and resid 73 and name HB3 )) (( segid "B " and resid 65 and name HN )) 3.900 1.900 1.900 peak 4747 spectrum 1 weight 0.10000E+01 volume 0.85988E-03 ppm1 1.800 ppm2 7.982 CV 1 ASSI { 4750} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 65 and name HN )) 3.900 1.900 1.900 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.42067E-03 ppm1 0.483 ppm2 7.982 CV 1 ASSI { 4750} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 65 and name HN )) 3.900 1.900 1.900 peak 4750 spectrum 1 weight 0.10000E+01 volume 0.42067E-03 ppm1 0.483 ppm2 7.982 CV 1 ASSI { 4751} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 65 and name HN )) 3.800 1.800 1.800 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.46307E-03 ppm1 0.864 ppm2 7.982 CV 1 ASSI { 4751} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 65 and name HN )) 3.800 1.800 1.800 peak 4751 spectrum 1 weight 0.10000E+01 volume 0.46307E-03 ppm1 0.864 ppm2 7.982 CV 1 ASSI { 4752} (( segid "A " and resid 64 and name HB2 )) (( segid "A " and resid 64 and name HE1 )) 4.300 2.300 1.700 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.74288E-03 ppm1 2.959 ppm2 7.988 CV 1 ASSI { 4752} (( segid "B " and resid 64 and name HB2 )) (( segid "B " and resid 64 and name HE1 )) 4.300 2.300 1.700 peak 4752 spectrum 1 weight 0.10000E+01 volume 0.74288E-03 ppm1 2.959 ppm2 7.988 CV 1 ASSI { 4753} (( segid "A " and resid 64 and name HD2 )) (( segid "A " and resid 64 and name HE1 )) 3.600 1.600 1.600 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 7.023 ppm2 7.988 CV 1 ASSI { 4753} (( segid "B " and resid 64 and name HD2 )) (( segid "B " and resid 64 and name HE1 )) 3.600 1.600 1.600 peak 4753 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 7.023 ppm2 7.988 CV 1 ASSI { 4761} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 128 and name HN )) 3.800 1.800 1.800 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 4.515 ppm2 9.050 CV 1 ASSI { 4761} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 128 and name HN )) 3.800 1.800 1.800 peak 4761 spectrum 1 weight 0.10000E+01 volume 0.10100E-02 ppm1 4.515 ppm2 9.050 CV 1 ASSI { 4408} (( segid "B " and resid 105 and name HN )) ( segid "B " and resid 105 and name HE% ) 3.900 1.900 1.900 peak 4408 spectrum 1 weight 0.10000E+01 volume 0.65128E-03 ppm1 8.111 ppm2 6.967 CV 1 ASSI { 4599} (( segid "B " and resid 12 and name HB3 )) ( segid "B " and resid 11 and name HD% ) 4.600 2.600 1.400 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.50656E-03 ppm1 1.835 ppm2 7.371 CV 1 ! ambiguous distance restraints obtained after iterative NOE assignment ASSI { 36} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 81 and name HB3 )) 4.500 2.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.40402E-03 ppm1 7.811 ppm2 1.720 CV 1 OR { 36} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 103 and name HG2 )) ASSI { 42} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 106 and name HA2 )) 2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.65743E-02 ppm1 7.811 ppm2 4.360 CV 1 OR { 42} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 105 and name HA )) ASSI { 46} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 103 and name HB3 )) 4.900 3.000 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.45795E-03 ppm1 7.822 ppm2 2.109 CV 1 OR { 46} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 104 and name HB2 )) ASSI { 56} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HA )) 3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 8.731 ppm2 3.754 CV 1 OR { 56} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 66 and name HA )) ASSI { 73} (( segid "A " and resid 55 and name HN )) ( segid "A " and resid 53 and name HB% ) 4.000 2.000 2.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 7.541 ppm2 1.482 CV 1 OR { 73} (( segid "A " and resid 55 and name HN )) (( segid "A " and resid 51 and name HB3 )) ASSI { 78} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 100 and name HB2 )) 4.800 2.900 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.99911E-03 ppm1 8.850 ppm2 1.914 CV 1 OR { 78} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 22 and name HB2 )) ASSI { 80} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 87 and name HG2%) 2.900 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.41983E-02 ppm1 8.850 ppm2 0.789 CV 1 OR { 80} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 110 and name HD1%) ASSI { 86} (( segid "A " and resid 114 and name HN )) ( segid "A " and resid 30 and name HB% ) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 9.965 ppm2 1.633 CV 1 OR { 86} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 27 and name HB2 )) OR { 86} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 119 and name HD2 )) ASSI { 87} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HG3 )) 4.300 2.400 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.86676E-03 ppm1 9.975 ppm2 2.217 CV 1 OR { 87} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 24 and name HB3 )) OR { 87} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 24 and name HB2 )) ASSI { 89} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HB2 )) 2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 9.975 ppm2 1.806 CV 1 OR { 89} (( segid "A " and resid 114 and name HN )) ( segid "A " and resid 24 and name HE% ) ASSI { 94} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 122 and name HB3 )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.19891E-02 ppm1 7.779 ppm2 2.261 CV 1 OR { 94} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HB2 )) OR { 94} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 122 and name HB2 )) OR { 94} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HB3 )) ASSI { 115} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 40 and name HA )) 4.400 2.400 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.55865E-03 ppm1 7.779 ppm2 4.295 CV 1 OR { 115} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 109 and name HA )) OR { 115} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 108 and name HA )) ASSI { 138} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 40 and name HB )) 4.200 2.200 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.37548E-03 ppm1 6.491 ppm2 1.828 CV 1 OR { 138} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 60 and name HB3 )) OR { 138} (( segid "A " and resid 61 and name HD21)) (( segid "A " and resid 60 and name HB2 )) ASSI { 139} (( segid "A " and resid 61 and name HD21)) ( segid "A " and resid 41 and name HG2%) 3.800 1.800 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.80993E-03 ppm1 6.491 ppm2 0.789 CV 1 OR { 139} (( segid "A " and resid 61 and name HD21)) ( segid "A " and resid 34 and name HD2%) ASSI { 140} (( segid "A " and resid 61 and name HD21)) ( segid "A " and resid 59 and name HG2%) 4.200 2.200 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.37236E-03 ppm1 6.491 ppm2 0.681 CV 1 OR { 140} (( segid "A " and resid 61 and name HD21)) ( segid "A " and resid 40 and name HG2%) ASSI { 148} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 60 and name HB3 )) 3.800 1.800 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.38866E-03 ppm1 7.238 ppm2 1.828 CV 1 OR { 148} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 60 and name HB2 )) OR { 148} (( segid "A " and resid 61 and name HD22)) (( segid "A " and resid 40 and name HB )) ASSI { 149} (( segid "A " and resid 61 and name HD22)) ( segid "A " and resid 34 and name HD2%) 4.300 2.300 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.85452E-03 ppm1 7.238 ppm2 0.789 CV 1 OR { 149} (( segid "A " and resid 61 and name HD22)) ( segid "A " and resid 41 and name HG2%) ASSI { 169} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 52 and name HB3 )) 4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.66271E-03 ppm1 8.320 ppm2 1.806 CV 1 OR { 169} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 121 and name HG )) ASSI { 170} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 70 and name HB3 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 10.213 ppm2 1.655 CV 1 OR { 170} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 74 and name HB3 )) ASSI { 173} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 65 and name HB3 )) 4.100 2.100 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 10.224 ppm2 1.525 CV 1 OR { 173} (( segid "A " and resid 71 and name HN )) (( segid "A " and resid 74 and name HG )) ASSI { 185} (( segid "A " and resid 14 and name HE22)) (( segid "A " and resid 14 and name HG2 )) 3.700 1.700 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.25055E-02 ppm1 7.671 ppm2 2.304 CV 1 OR { 185} (( segid "A " and resid 14 and name HE22)) (( segid "B " and resid 104 and name HG2 )) ASSI { 203} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HE3 )) 5.000 3.200 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.92885E-03 ppm1 8.266 ppm2 2.932 CV 1 OR { 203} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 29 and name HB3 )) OR { 203} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HE2 )) ASSI { 211} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 128 and name HG )) 4.200 2.200 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 6.881 ppm2 1.157 CV 1 OR { 211} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HG3 )) ASSI { 214} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HN )) 3.600 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 6.881 ppm2 7.995 CV 1 OR { 214} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 62 and name HN )) ASSI { 217} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 57 and name HA )) 3.900 1.900 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.75190E-03 ppm1 6.881 ppm2 4.035 CV 1 OR { 217} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HA )) ASSI { 232} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HB2 )) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10749E-01 ppm1 7.498 ppm2 1.655 CV 1 OR { 232} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 75 and name HB% ) ASSI { 244} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 58 and name HB2 )) 4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.11257E-02 ppm1 8.331 ppm2 1.785 CV 1 OR { 244} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 121 and name HG )) ASSI { 245} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 128 and name HB2 )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.27142E-02 ppm1 8.331 ppm2 1.309 CV 1 OR { 245} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 56 and name HB3 )) OR { 245} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 51 and name HG )) ASSI { 256} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HB3 )) 3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.74159E-02 ppm1 7.844 ppm2 2.023 CV 1 OR { 256} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HB3 )) ASSI { 262} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 33 and name HA )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36971E-02 ppm1 7.844 ppm2 3.862 CV 1 OR { 262} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HA )) ASSI { 274} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 124 and name HA2 )) 4.500 2.500 1.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.93749E-03 ppm1 8.168 ppm2 3.840 CV 1 OR { 274} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 125 and name HA )) ASSI { 285} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 47 and name HB2 )) 3.100 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.40927E-02 ppm1 8.969 ppm2 2.737 CV 1 OR { 285} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB3 )) OR { 285} (( segid "A " and resid 49 and name HN )) (( segid "B " and resid 49 and name HB3 )) ASSI { 306} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HB )) 4.200 2.200 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.71161E-03 ppm1 8.742 ppm2 2.304 CV 1 OR { 306} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HB2 )) ASSI { 317} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HA )) 3.600 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 8.969 ppm2 4.122 CV 1 OR { 317} (( segid "A " and resid 49 and name HN )) (( segid "B " and resid 50 and name HA )) OR { 317} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HA )) ASSI { 339} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.54211E-02 ppm1 7.606 ppm2 1.655 CV 1 OR { 339} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HB3 )) OR { 339} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HB3 )) ASSI { 340} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 65 and name HB3 )) 3.800 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 7.606 ppm2 1.525 CV 1 OR { 340} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HG )) ASSI { 349} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 70 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.19236E-02 ppm1 7.606 ppm2 3.278 CV 1 OR { 349} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HA )) ASSI { 361} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.67327E-02 ppm1 7.260 ppm2 2.520 CV 1 OR { 361} (( segid "A " and resid 21 and name HN )) (( segid "A " and resid 22 and name HG2 )) ASSI { 363} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25655E-02 ppm1 7.876 ppm2 1.655 CV 1 OR { 363} (( segid "A " and resid 77 and name HN )) ( segid "A " and resid 75 and name HB% ) ASSI { 365} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HG2 )) 4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 7.876 ppm2 1.395 CV 1 OR { 365} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 79 and name HG )) ASSI { 381} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 40 and name HG13)) 4.100 2.100 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 7.433 ppm2 1.741 CV 1 OR { 381} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 33 and name HB3 )) ASSI { 383} (( segid "A " and resid 37 and name HN )) ( segid "A " and resid 40 and name HD1%) 3.700 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 7.433 ppm2 0.768 CV 1 OR { 383} (( segid "A " and resid 37 and name HN )) ( segid "A " and resid 34 and name HD2%) ASSI { 391} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 35 and name HA )) 2.800 1.000 1.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.41910E-02 ppm1 7.433 ppm2 3.862 CV 1 OR { 391} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HD3 )) OR { 391} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 33 and name HA )) ASSI { 407} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 18 and name HB% ) 4.200 2.200 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.56992E-03 ppm1 7.682 ppm2 1.395 CV 1 OR { 407} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 100 and name HG2 )) ASSI { 415} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.93605E-03 ppm1 7.692 ppm2 0.811 CV 1 OR { 415} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 110 and name HG2%) ASSI { 425} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HB3 )) 3.900 1.900 1.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.76460E-03 ppm1 8.536 ppm2 1.979 CV 1 OR { 425} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 119 and name HB3 )) ASSI { 427} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 27 and name HG3 )) 4.300 2.300 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.66127E-03 ppm1 8.547 ppm2 2.239 CV 1 OR { 427} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HG3 )) ASSI { 429} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 114 and name HB2 )) 3.100 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.49342E-02 ppm1 8.547 ppm2 1.806 CV 1 OR { 429} (( segid "A " and resid 115 and name HN )) ( segid "A " and resid 24 and name HE% ) ASSI { 430} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 119 and name HD2 )) 4.700 2.700 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.82720E-03 ppm1 8.547 ppm2 1.655 CV 1 OR { 430} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 27 and name HB2 )) ASSI { 437} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HG2 )) 2.300 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 8.039 ppm2 1.871 CV 1 OR { 437} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HB3 )) OR { 437} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HB2 )) ASSI { 439} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 33 and name HB2 )) 5.000 3.100 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.26206E-03 ppm1 8.039 ppm2 1.438 CV 1 OR { 439} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 32 and name HG3 )) OR { 439} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 60 and name HG2 )) ASSI { 441} (( segid "A " and resid 35 and name HN )) ( segid "A " and resid 34 and name HD2%) 4.500 2.600 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.69989E-03 ppm1 8.039 ppm2 0.768 CV 1 OR { 441} (( segid "A " and resid 35 and name HN )) ( segid "A " and resid 40 and name HD1%) ASSI { 446} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HA )) 2.400 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.63945E-02 ppm1 8.039 ppm2 3.862 CV 1 OR { 446} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HA )) ASSI { 450} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HB3 )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.57135E-02 ppm1 6.913 ppm2 1.482 CV 1 OR { 450} (( segid "A " and resid 52 and name HN )) ( segid "A " and resid 53 and name HB% ) OR { 450} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HG3 )) ASSI { 455} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 50 and name HA )) 3.500 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 6.913 ppm2 4.143 CV 1 OR { 455} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 48 and name HA )) ASSI { 458} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 49 and name HB2 )) 4.300 2.300 1.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.48192E-03 ppm1 6.913 ppm2 2.607 CV 1 OR { 458} (( segid "A " and resid 52 and name HN )) (( segid "B " and resid 49 and name HB2 )) ASSI { 463} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 21 and name HB3 )) 4.700 2.700 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.57736E-03 ppm1 7.119 ppm2 2.910 CV 1 OR { 463} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 24 and name HG3 )) ASSI { 470} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 18 and name HN )) 3.500 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.12844E-02 ppm1 7.130 ppm2 7.930 CV 1 OR { 470} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 17 and name HN )) ASSI { 475} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 17 and name HA )) 2.800 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.38531E-02 ppm1 7.130 ppm2 4.100 CV 1 OR { 475} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 18 and name HA )) ASSI { 477} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 22 and name HG2 )) 4.300 2.300 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.77611E-03 ppm1 7.130 ppm2 2.520 CV 1 OR { 477} (( segid "A " and resid 20 and name HN )) (( segid "A " and resid 21 and name HB2 )) ASSI { 492} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 73 and name HB3 )) 3.500 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 7.649 ppm2 1.828 CV 1 OR { 492} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HG2 )) ASSI { 495} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 73 and name HD1%) 3.700 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.28244E-02 ppm1 7.649 ppm2 0.659 CV 1 OR { 495} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 70 and name HD2%) ASSI { 499} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HA )) 2.000 0.500 0.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.15647E-01 ppm1 7.649 ppm2 3.776 CV 1 OR { 499} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HA )) ASSI { 504} (( segid "A " and resid 82 and name HN )) ( segid "B " and resid 7 and name HE% ) 4.300 2.400 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.47019E-03 ppm1 8.309 ppm2 7.563 CV 1 OR { 504} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 107 and name HD% ) ASSI { 516} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HA )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.47712E-02 ppm1 8.320 ppm2 4.122 CV 1 OR { 516} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HD3 )) ASSI { 524} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HB3 )) 3.200 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.48768E-02 ppm1 7.985 ppm2 1.871 CV 1 OR { 524} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 40 and name HB )) OR { 524} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 32 and name HB3 )) ASSI { 525} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HG )) 2.400 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.63682E-02 ppm1 7.985 ppm2 1.741 CV 1 OR { 525} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HB3 )) ASSI { 530} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 34 and name HD2%) 3.700 1.700 1.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 7.985 ppm2 0.768 CV 1 OR { 530} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 40 and name HD1%) ASSI { 535} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 34 and name HA )) 2.600 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 7.985 ppm2 3.862 CV 1 OR { 535} (( segid "A " and resid 34 and name HN )) (( segid "A " and resid 33 and name HA )) ASSI { 557} (( segid "A " and resid 10 and name HN )) ( segid "B " and resid 105 and name HD% ) 3.900 1.900 1.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 8.396 ppm2 7.454 CV 1 OR { 557} (( segid "A " and resid 10 and name HN )) ( segid "A " and resid 7 and name HD% ) ASSI { 565} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 9 and name HA )) 3.000 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 8.785 ppm2 4.122 CV 1 OR { 565} (( segid "A " and resid 12 and name HN )) (( segid "A " and resid 13 and name HA )) ASSI { 581} (( segid "A " and resid 32 and name HN )) (( segid "A " and resid 120 and name HH2 )) 4.700 2.700 1.300 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61189E-03 ppm1 7.692 ppm2 6.848 CV 1 OR { 581} (( segid "A " and resid 32 and name HN )) ( segid "A " and resid 31 and name HE% ) ASSI { 634} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 23 and name HN )) 4.200 2.200 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.62770E-03 ppm1 8.818 ppm2 7.671 CV 1 OR { 634} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 100 and name HN )) ASSI { 637} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 9.131 ppm2 0.768 CV 1 OR { 637} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 110 and name HG2%) OR { 637} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 40 and name HD1%) ASSI { 639} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 109 and name HA )) 2.700 0.900 0.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.35582E-02 ppm1 9.131 ppm2 4.295 CV 1 OR { 639} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HA )) ASSI { 657} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HA )) 2.900 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 8.114 ppm2 4.338 CV 1 OR { 657} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 106 and name HA2 )) ASSI { 669} (( segid "A " and resid 112 and name HN )) ( segid "A " and resid 24 and name HE% ) 3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 8.818 ppm2 1.828 CV 1 OR { 669} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 25 and name HB3 )) ASSI { 691} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 116 and name HA2 )) 3.800 1.800 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.48674E-03 ppm1 9.088 ppm2 3.429 CV 1 OR { 691} (( segid "A " and resid 118 and name HN )) (( segid "A " and resid 120 and name HB2 )) ASSI { 705} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HA )) 2.400 0.700 0.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.74952E-02 ppm1 7.822 ppm2 4.078 CV 1 OR { 705} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 100 and name HA )) ASSI { 717} (( segid "A " and resid 67 and name HN )) ( segid "A " and resid 45 and name HG2%) 4.400 2.500 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.61906E-03 ppm1 8.331 ppm2 0.681 CV 1 OR { 717} (( segid "A " and resid 67 and name HN )) ( segid "A " and resid 73 and name HD1%) ASSI { 727} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 101 and name HA )) 3.300 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 8.731 ppm2 4.078 CV 1 OR { 727} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 100 and name HA )) ASSI { 730} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HB2 )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.30259E-02 ppm1 8.742 ppm2 0.789 CV 1 OR { 730} (( segid "A " and resid 102 and name HN )) ( segid "A " and resid 110 and name HD1%) ASSI { 735} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.34477E-02 ppm1 9.272 ppm2 1.611 CV 1 OR { 735} (( segid "A " and resid 26 and name HN )) ( segid "A " and resid 30 and name HB% ) ASSI { 774} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.44452E-02 ppm1 9.294 ppm2 2.758 CV 1 OR { 774} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 62 and name HB3 )) OR { 774} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 62 and name HB2 )) ASSI { 776} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 49 and name HA )) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.74470E-03 ppm1 6.848 ppm2 4.295 CV 1 OR { 776} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 55 and name HA2 )) ASSI { 787} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 53 and name HN )) 3.800 1.800 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.89985E-03 ppm1 6.859 ppm2 7.541 CV 1 OR { 787} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 55 and name HN )) ASSI { 790} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 48 and name HA )) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.22655E-02 ppm1 6.859 ppm2 4.122 CV 1 OR { 790} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HA )) ASSI { 792} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HG )) 2.300 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 7.833 ppm2 1.395 CV 1 OR { 792} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HG2 )) OR { 792} (( segid "A " and resid 16 and name HN )) ( segid "A " and resid 17 and name HB% ) ASSI { 793} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 79 and name HD1%) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.57257E-02 ppm1 7.833 ppm2 0.746 CV 1 OR { 793} (( segid "A " and resid 16 and name HN )) ( segid "A " and resid 15 and name HG1%) ASSI { 797} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HN )) 3.800 1.800 1.800 peak 797 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 7.833 ppm2 8.601 CV 1 OR { 797} (( segid "A " and resid 79 and name HN )) (( segid "B " and resid 4 and name HN )) ASSI { 805} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 5 and name HG3 )) 3.800 1.800 1.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.20831E-02 ppm1 8.201 ppm2 2.391 CV 1 OR { 805} (( segid "A " and resid 5 and name HN )) (( segid "A " and resid 3 and name HG3 )) ASSI { 820} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 122 and name HB2 )) 4.000 2.000 2.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 7.454 ppm2 2.239 CV 1 OR { 820} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 122 and name HB3 )) OR { 820} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 27 and name HG3 )) ASSI { 826} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 120 and name HA )) 4.400 2.400 1.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 7.454 ppm2 3.776 CV 1 OR { 826} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 115 and name HA1 )) ASSI { 828} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 74 and name HD2%) 4.800 2.900 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.49751E-03 ppm1 7.822 ppm2 0.162 CV 1 OR { 828} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 102 and name HD1%) ASSI { 831} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HA2 )) 6.000 6.000 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 7.833 ppm2 4.122 CV 1 OR { 831} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 13 and name HA )) ASSI { 832} (( segid "A " and resid 16 and name HN )) (( segid "A " and resid 16 and name HA )) 6.000 4.600 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 7.833 ppm2 3.797 CV 1 OR { 832} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HA1 )) ASSI { 833} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HA )) 2.500 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 7.833 ppm2 4.252 CV 1 OR { 833} (( segid "A " and resid 79 and name HN )) (( segid "B " and resid 4 and name HA2 )) ASSI { 837} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HB3 )) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.71139E-02 ppm1 8.352 ppm2 2.888 CV 1 OR { 837} (( segid "A " and resid 9 and name HN )) (( segid "A " and resid 8 and name HB2 )) OR { 837} (( segid "A " and resid 7 and name HN )) (( segid "A " and resid 8 and name HB3 )) ASSI { 850} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 7 and name HN )) 2.400 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 8.590 ppm2 8.363 CV 1 OR { 850} (( segid "A " and resid 8 and name HN )) (( segid "A " and resid 9 and name HN )) ASSI { 861} (( segid "A " and resid 113 and name HN )) ( segid "A " and resid 24 and name HE% ) 3.800 1.800 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 7.249 ppm2 1.806 CV 1 OR { 861} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 114 and name HB2 )) ASSI { 862} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 25 and name HB2 )) 4.300 2.300 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.42847E-03 ppm1 7.249 ppm2 1.611 CV 1 OR { 862} (( segid "A " and resid 113 and name HN )) ( segid "A " and resid 30 and name HB% ) ASSI { 873} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 116 and name HA2 )) 3.800 1.900 1.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.74616E-03 ppm1 7.454 ppm2 3.451 CV 1 OR { 873} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 120 and name HB2 )) OR { 873} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 120 and name HB3 )) ASSI { 875} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 97 and name HB3 )) 4.400 2.400 1.600 peak 875 spectrum 1 weight 0.10000E+01 volume 0.16064E-02 ppm1 7.584 ppm2 1.936 CV 1 OR { 875} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 100 and name HB2 )) ASSI { 876} (( segid "A " and resid 96 and name HN )) ( segid "A " and resid 24 and name HE% ) 3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 7.584 ppm2 1.806 CV 1 OR { 876} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 19 and name HB3 )) ASSI { 889} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HB3 )) 2.000 0.500 0.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.12300E-01 ppm1 8.277 ppm2 1.655 CV 1 OR { 889} (( segid "A " and resid 75 and name HN )) ( segid "A " and resid 75 and name HB% ) ASSI { 901} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 73 and name HB3 )) 4.600 2.600 1.400 peak 901 spectrum 1 weight 0.10000E+01 volume 0.47642E-03 ppm1 8.287 ppm2 1.806 CV 1 OR { 901} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 102 and name HB3 )) ASSI { 913} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HB3 )) 3.300 1.400 1.400 peak 913 spectrum 1 weight 0.10000E+01 volume 0.33735E-02 ppm1 7.941 ppm2 1.850 CV 1 OR { 913} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 16 and name HB3 )) OR { 913} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 16 and name HB2 )) ASSI { 915} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 18 and name HB% ) 2.100 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.19603E-01 ppm1 7.941 ppm2 1.417 CV 1 OR { 915} (( segid "A " and resid 18 and name HN )) ( segid "A " and resid 17 and name HB% ) ASSI { 919} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 16 and name HA )) 3.300 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 7.941 ppm2 3.797 CV 1 OR { 919} (( segid "A " and resid 18 and name HN )) (( segid "A " and resid 19 and name HA )) ASSI { 921} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HB3 )) 2.500 0.800 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.57761E-02 ppm1 7.995 ppm2 2.109 CV 1 OR { 921} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HG2 )) ASSI { 922} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HB2 )) 2.900 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.53637E-02 ppm1 7.995 ppm2 1.914 CV 1 OR { 922} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HB2 )) ASSI { 928} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HA )) 2.800 1.000 1.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.40280E-02 ppm1 7.995 ppm2 4.122 CV 1 OR { 928} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 84 and name HD3 )) ASSI { 933} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 73 and name HN )) 4.000 2.000 2.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 8.277 ppm2 7.584 CV 1 OR { 933} (( segid "A " and resid 75 and name HN )) ( segid "B " and resid 7 and name HE% ) ASSI { 936} (( segid "A " and resid 29 and name HN )) ( segid "A " and resid 30 and name HB% ) 3.500 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.39681E-02 ppm1 7.649 ppm2 1.611 CV 1 OR { 936} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HD2 )) OR { 936} (( segid "A " and resid 29 and name HN )) (( segid "A " and resid 28 and name HD3 )) ASSI { 954} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 34 and name HA )) 4.700 2.800 1.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.45747E-03 ppm1 7.746 ppm2 3.840 CV 1 OR { 954} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 38 and name HD3 )) ASSI { 960} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 110 and name HG2%) 4.000 2.000 2.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 8.363 ppm2 0.768 CV 1 OR { 960} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 110 and name HD1%) OR { 960} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 102 and name HB2 )) ASSI { 961} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 105 and name HN )) 4.000 2.000 2.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.12609E-02 ppm1 8.363 ppm2 8.082 CV 1 OR { 961} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 104 and name HN )) ASSI { 970} (( segid "A " and resid 14 and name HN )) ( segid "A " and resid 17 and name HB% ) 4.100 2.100 1.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.97442E-03 ppm1 8.536 ppm2 1.417 CV 1 OR { 970} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 16 and name HG2 )) ASSI { 975} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 16 and name HB2 )) 3.900 1.900 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.86243E-03 ppm1 8.547 ppm2 1.850 CV 1 OR { 975} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 12 and name HB3 )) OR { 975} (( segid "A " and resid 14 and name HN )) (( segid "A " and resid 16 and name HB3 )) ASSI { 999} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 81 and name HD3 )) 4.100 2.100 1.900 peak 999 spectrum 1 weight 0.10000E+01 volume 0.96169E-03 ppm1 8.601 ppm2 4.100 CV 1 OR { 999} (( segid "A " and resid 80 and name HN )) (( segid "A " and resid 82 and name HA )) ASSI { 1004} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 3 and name HG3 )) 4.900 3.000 1.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.46058E-03 ppm1 7.790 ppm2 2.391 CV 1 OR { 1004} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 3 and name HG2 )) OR { 1004} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HG3 )) ASSI { 1014} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 6 and name HA )) 2.700 0.900 0.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 7.790 ppm2 4.208 CV 1 OR { 1014} (( segid "A " and resid 6 and name HN )) (( segid "A " and resid 5 and name HA )) ASSI { 1021} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 102 and name HB2 )) 5.100 3.300 0.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.38842E-03 ppm1 8.060 ppm2 0.768 CV 1 OR { 1021} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 110 and name HD1%) OR { 1021} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 110 and name HG2%) ASSI { 1029} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 106 and name HN )) 3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 8.071 ppm2 7.801 CV 1 OR { 1029} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 101 and name HN )) ASSI { 1031} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 105 and name HA )) 4.700 2.800 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 8.071 ppm2 4.338 CV 1 OR { 1031} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 106 and name HA2 )) ASSI { 1042} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 42 and name HG )) 4.400 2.400 1.600 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.80801E-03 ppm1 8.764 ppm2 1.287 CV 1 OR { 1042} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 110 and name HG12)) ASSI { 1044} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 86 and name HG1%) 2.400 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.55890E-02 ppm1 8.764 ppm2 0.768 CV 1 OR { 1044} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 85 and name HG2%) ASSI { 1051} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 58 and name HA )) 3.800 1.800 1.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.99167E-03 ppm1 9.045 ppm2 4.403 CV 1 OR { 1051} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 129 and name HA )) ASSI { 1054} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 128 and name HG )) 3.000 1.100 1.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.26494E-02 ppm1 9.056 ppm2 1.179 CV 1 OR { 1054} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 56 and name HD3 )) ASSI { 1063} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.56586E-03 ppm1 9.056 ppm2 2.780 CV 1 OR { 1063} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 129 and name HB3 )) ASSI { 1066} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 86 and name HG2%) 2.100 0.500 0.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.10240E-01 ppm1 9.142 ppm2 0.832 CV 1 OR { 1066} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 87 and name HG1%) ASSI { 1079} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 109 and name HB )) 4.400 2.400 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.64281E-03 ppm1 7.617 ppm2 3.711 CV 1 OR { 1079} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 95 and name HA )) ASSI { 1081} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HB3 )) 2.900 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.22291E-02 ppm1 7.617 ppm2 2.932 CV 1 OR { 1081} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HE3 )) ASSI { 1093} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 11 and name HN )) 3.300 1.400 1.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.17513E-02 ppm1 8.006 ppm2 8.406 CV 1 OR { 1093} (( segid "A " and resid 13 and name HN )) (( segid "A " and resid 15 and name HN )) ASSI { 1118} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 17 and name HB% ) 4.400 2.400 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.59870E-03 ppm1 8.417 ppm2 1.417 CV 1 OR { 1118} (( segid "A " and resid 15 and name HN )) ( segid "A " and resid 18 and name HB% ) OR { 1118} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 16 and name HG2 )) ASSI { 1121} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 17 and name HN )) 3.500 1.500 1.500 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 8.417 ppm2 7.930 CV 1 OR { 1121} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 18 and name HN )) ASSI { 1124} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 13 and name HA )) 4.400 2.500 1.600 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.43686E-03 ppm1 8.417 ppm2 4.122 CV 1 OR { 1124} (( segid "A " and resid 15 and name HN )) (( segid "A " and resid 18 and name HA )) ASSI { 1137} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 34 and name HD2%) 4.500 2.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.51021E-03 ppm1 8.569 ppm2 0.768 CV 1 OR { 1137} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 57 and name HB3 )) ASSI { 1140} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 31 and name HE% ) 4.400 2.400 1.600 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 8.569 ppm2 6.870 CV 1 OR { 1140} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HN )) ASSI { 1151} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HB2 )) 2.300 0.600 0.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.64546E-02 ppm1 8.179 ppm2 0.768 CV 1 OR { 1151} (( segid "A " and resid 103 and name HN )) ( segid "A " and resid 110 and name HD1%) OR { 1151} (( segid "A " and resid 103 and name HN )) ( segid "A " and resid 110 and name HG2%) ASSI { 1155} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 101 and name HN )) 3.700 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.179 ppm2 7.822 CV 1 OR { 1155} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 106 and name HN )) ASSI { 1158} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 100 and name HA )) 3.400 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.179 ppm2 4.078 CV 1 OR { 1158} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 101 and name HA )) ASSI { 1162} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 107 and name HB2 )) 4.300 2.300 1.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.44525E-03 ppm1 8.179 ppm2 2.672 CV 1 OR { 1162} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 104 and name HB3 )) ASSI { 1164} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HB3 )) 2.300 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.65624E-02 ppm1 7.736 ppm2 1.655 CV 1 OR { 1164} (( segid "A " and resid 74 and name HN )) ( segid "A " and resid 75 and name HB% ) ASSI { 1190} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HA )) 2.600 0.900 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.52483E-02 ppm1 7.335 ppm2 3.862 CV 1 OR { 1190} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 124 and name HA2 )) ASSI { 1216} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 128 and name HG )) 4.600 2.700 1.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.72147E-03 ppm1 8.017 ppm2 1.179 CV 1 OR { 1216} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 57 and name HG3 )) ASSI { 1219} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 59 and name HG2%) 4.400 2.500 1.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.92668E-03 ppm1 8.017 ppm2 0.681 CV 1 OR { 1219} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 128 and name HD2%) ASSI { 1227} (( segid "A " and resid 58 and name HN )) (( segid "A " and resid 59 and name HN )) 3.700 1.700 1.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.86243E-03 ppm1 8.028 ppm2 6.870 CV 1 OR { 1227} (( segid "A " and resid 58 and name HN )) ( segid "A " and resid 31 and name HE% ) ASSI { 1244} (( segid "A " and resid 89 and name HN )) ( segid "A " and resid 24 and name HE% ) 4.400 2.400 1.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.70538E-03 ppm1 7.205 ppm2 1.806 CV 1 OR { 1244} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 119 and name HB2 )) OR { 1244} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 114 and name HB2 )) ASSI { 1254} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HG )) 4.000 2.000 2.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 7.833 ppm2 1.806 CV 1 OR { 1254} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 119 and name HB2 )) ASSI { 1261} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 119 and name HA )) 2.800 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.44404E-02 ppm1 7.844 ppm2 4.295 CV 1 OR { 1261} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HA )) ASSI { 1266} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 41 and name HG2%) 3.100 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.49321E-02 ppm1 7.141 ppm2 0.789 CV 1 OR { 1266} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 85 and name HG2%) OR { 1266} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 40 and name HD1%) ASSI { 1272} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 42 and name HN )) 4.400 2.500 1.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.48121E-03 ppm1 7.151 ppm2 8.493 CV 1 OR { 1272} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 39 and name HN )) ASSI { 1282} (( segid "A " and resid 50 and name HN )) ( segid "A " and resid 53 and name HB% ) 4.700 2.800 1.300 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.66247E-03 ppm1 7.444 ppm2 1.482 CV 1 OR { 1282} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 51 and name HB3 )) ASSI { 1285} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.29779E-02 ppm1 7.444 ppm2 4.122 CV 1 OR { 1285} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 48 and name HA )) ASSI { 1286} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 47 and name HB2 )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 7.444 ppm2 2.737 CV 1 OR { 1286} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB3 )) OR { 1286} (( segid "A " and resid 50 and name HN )) (( segid "B " and resid 49 and name HB3 )) ASSI { 1287} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 7.444 ppm2 2.607 CV 1 OR { 1287} (( segid "A " and resid 50 and name HN )) (( segid "B " and resid 49 and name HB2 )) ASSI { 1299} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 117 and name HA )) 2.900 1.100 1.100 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.25391E-02 ppm1 8.504 ppm2 4.317 CV 1 OR { 1299} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HA )) ASSI { 1303} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 122 and name HB2 )) 4.200 2.200 1.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.70850E-03 ppm1 8.515 ppm2 2.261 CV 1 OR { 1303} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 122 and name HB3 )) OR { 1303} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 125 and name HB2 )) ASSI { 1306} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 114 and name HB3 )) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.60349E-03 ppm1 8.926 ppm2 2.001 CV 1 OR { 1306} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 22 and name HB3 )) ASSI { 1307} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HB3 )) 2.900 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.44620E-02 ppm1 8.926 ppm2 1.828 CV 1 OR { 1307} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 24 and name HE% ) ASSI { 1315} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 112 and name HB2 )) 4.800 2.900 1.200 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.49968E-03 ppm1 8.926 ppm2 2.650 CV 1 OR { 1315} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HG2 )) ASSI { 1316} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 111 and name HB2 )) 4.700 2.700 1.300 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.62315E-03 ppm1 8.937 ppm2 2.910 CV 1 OR { 1316} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HG3 )) ASSI { 1317} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 12 and name HB2 )) 4.500 2.500 1.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.85117E-03 ppm1 8.417 ppm2 1.720 CV 1 OR { 1317} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 15 and name HB )) ASSI { 1318} (( segid "A " and resid 11 and name HN )) ( segid "A " and resid 9 and name HB% ) 4.200 2.200 1.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.98880E-03 ppm1 8.417 ppm2 1.611 CV 1 OR { 1318} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 12 and name HD3 )) ASSI { 1325} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 8 and name HB3 )) 5.000 3.200 1.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.28940E-03 ppm1 8.417 ppm2 2.867 CV 1 OR { 1325} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 8 and name HB2 )) OR { 1325} (( segid "A " and resid 11 and name HN )) (( segid "A " and resid 14 and name HG3 )) ASSI { 1334} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HG3 )) 3.600 1.700 1.700 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.24672E-02 ppm1 8.634 ppm2 1.309 CV 1 OR { 1334} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 43 and name HG13)) ASSI { 1344} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HG2 )) 4.500 2.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.91038E-03 ppm1 8.645 ppm2 1.179 CV 1 OR { 1344} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 56 and name HD3 )) ASSI { 1362} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 63 and name HN )) 3.900 1.900 1.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.10418E-02 ppm1 7.974 ppm2 8.471 CV 1 OR { 1362} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 42 and name HN )) ASSI { 1368} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 63 and name HA )) 4.200 2.300 1.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.48674E-03 ppm1 7.985 ppm2 4.230 CV 1 OR { 1368} (( segid "A " and resid 62 and name HN )) (( segid "A " and resid 41 and name HA )) ASSI { 1374} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 25 and name HD2%) 4.000 2.000 2.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.86219E-03 ppm1 9.067 ppm2 0.941 CV 1 OR { 1374} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 34 and name HD1%) ASSI { 1375} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 25 and name HD1%) 3.400 1.400 1.400 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 9.067 ppm2 0.573 CV 1 OR { 1375} (( segid "A " and resid 30 and name HN )) ( segid "A " and resid 33 and name HD1%) ASSI { 1382} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 26 and name HB2 )) 4.800 2.800 1.200 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.33711E-03 ppm1 9.067 ppm2 4.100 CV 1 OR { 1382} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 31 and name HA )) ASSI { 1393} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 24 and name HE% ) 4.000 2.000 2.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.26686E-02 ppm1 8.861 ppm2 1.828 CV 1 OR { 1393} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 19 and name HB2 )) OR { 1393} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 114 and name HB2 )) ASSI { 1421} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 84 and name HB2 )) 4.500 2.500 1.500 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.78450E-03 ppm1 8.082 ppm2 1.914 CV 1 OR { 1421} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 22 and name HB2 )) OR { 1421} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 103 and name HG3 )) ASSI { 1423} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 110 and name HB )) 4.900 3.000 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.58310E-03 ppm1 9.088 ppm2 1.655 CV 1 OR { 1423} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 25 and name HG )) ASSI { 1424} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 110 and name HG2%) 2.900 1.100 1.100 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.67037E-02 ppm1 9.088 ppm2 0.789 CV 1 OR { 1424} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 110 and name HD1%) OR { 1424} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 87 and name HG2%) OR { 1424} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 86 and name HG1%) ASSI { 1430} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 109 and name HG2%) 4.800 2.900 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.41336E-03 ppm1 9.099 ppm2 1.049 CV 1 OR { 1430} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 23 and name HG1%) ASSI { 1449} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 87 and name HB )) 4.100 2.100 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 9.164 ppm2 1.871 CV 1 OR { 1449} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 86 and name HB )) ASSI { 1456} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 86 and name HG1%) 3.800 1.800 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20867E-02 ppm1 9.175 ppm2 0.768 CV 1 OR { 1456} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 34 and name HD2%) OR { 1456} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 87 and name HG2%) ASSI { 1476} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HG3 )) 2.500 0.800 0.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.35054E-02 ppm1 8.482 ppm2 1.309 CV 1 OR { 1476} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 43 and name HG13)) ASSI { 1487} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HG )) 3.500 1.500 1.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 8.482 ppm2 1.309 CV 1 OR { 1487} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 63 and name HG3 )) OR { 1487} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 43 and name HG13)) ASSI { 1489} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 59 and name HG2%) 3.100 1.200 1.200 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.25559E-02 ppm1 8.482 ppm2 0.681 CV 1 OR { 1489} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 40 and name HG2%) ASSI { 1491} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.14381E-02 ppm1 8.482 ppm2 2.758 CV 1 OR { 1491} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 61 and name HB2 )) OR { 1491} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 62 and name HB3 )) ASSI { 1494} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 42 and name HB2 )) 2.900 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 8.493 ppm2 1.503 CV 1 OR { 1494} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 63 and name HD2 )) ASSI { 1505} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 58 and name HB2 )) 4.500 2.600 1.500 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.68045E-03 ppm1 9.824 ppm2 1.785 CV 1 OR { 1505} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 121 and name HG )) ASSI { 1512} (( segid "A " and resid 120 and name HE1 )) (( segid "A " and resid 120 and name HH2 )) 4.400 2.400 1.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.64641E-03 ppm1 9.824 ppm2 6.848 CV 1 OR { 1512} (( segid "A " and resid 120 and name HE1 )) ( segid "A " and resid 31 and name HE% ) ASSI { 1521} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 73 and name HD1%) 4.200 2.200 1.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.64879E-03 ppm1 7.985 ppm2 0.659 CV 1 OR { 1521} (( segid "A " and resid 65 and name HN )) ( segid "A " and resid 70 and name HD2%) ASSI { 1523} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 66 and name HN )) 4.000 2.000 2.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.98712E-03 ppm1 7.985 ppm2 7.649 CV 1 OR { 1523} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 46 and name HN )) ASSI { 1527} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 7.985 ppm2 2.953 CV 1 OR { 1527} (( segid "A " and resid 65 and name HN )) (( segid "A " and resid 44 and name HB3 )) ASSI { 36} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 81 and name HB3 )) 4.500 2.500 1.500 peak 36 spectrum 1 weight 0.10000E+01 volume 0.40402E-03 ppm1 7.811 ppm2 1.720 CV 1 OR { 36} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 103 and name HG2 )) ASSI { 42} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 106 and name HA2 )) 2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.65743E-02 ppm1 7.811 ppm2 4.360 CV 1 OR { 42} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 105 and name HA )) ASSI { 46} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 103 and name HB3 )) 4.900 3.000 1.100 peak 46 spectrum 1 weight 0.10000E+01 volume 0.45795E-03 ppm1 7.822 ppm2 2.109 CV 1 OR { 46} (( segid "B " and resid 106 and name HN )) (( segid "B " and resid 104 and name HB2 )) ASSI { 56} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 67 and name HA )) 3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.14170E-02 ppm1 8.731 ppm2 3.754 CV 1 OR { 56} (( segid "B " and resid 68 and name HN )) (( segid "B " and resid 66 and name HA )) ASSI { 73} (( segid "B " and resid 55 and name HN )) ( segid "B " and resid 53 and name HB% ) 4.000 2.000 2.000 peak 73 spectrum 1 weight 0.10000E+01 volume 0.16513E-02 ppm1 7.541 ppm2 1.482 CV 1 OR { 73} (( segid "B " and resid 55 and name HN )) (( segid "B " and resid 51 and name HB3 )) ASSI { 78} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 100 and name HB2 )) 4.800 2.900 1.200 peak 78 spectrum 1 weight 0.10000E+01 volume 0.99911E-03 ppm1 8.850 ppm2 1.914 CV 1 OR { 78} (( segid "B " and resid 99 and name HN )) (( segid "B " and resid 22 and name HB2 )) ASSI { 80} (( segid "B " and resid 99 and name HN )) ( segid "B " and resid 87 and name HG2%) 2.900 1.000 1.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.41983E-02 ppm1 8.850 ppm2 0.789 CV 1 OR { 80} (( segid "B " and resid 99 and name HN )) ( segid "B " and resid 110 and name HD1%) ASSI { 86} (( segid "B " and resid 114 and name HN )) ( segid "B " and resid 30 and name HB% ) 3.600 1.600 1.600 peak 86 spectrum 1 weight 0.10000E+01 volume 0.12554E-02 ppm1 9.965 ppm2 1.633 CV 1 OR { 86} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 27 and name HB2 )) OR { 86} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 119 and name HD2 )) ASSI { 87} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 114 and name HG3 )) 4.300 2.400 1.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.86676E-03 ppm1 9.975 ppm2 2.217 CV 1 OR { 87} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 24 and name HB3 )) OR { 87} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 24 and name HB2 )) ASSI { 89} (( segid "B " and resid 114 and name HN )) (( segid "B " and resid 114 and name HB2 )) 2.600 0.900 0.900 peak 89 spectrum 1 weight 0.10000E+01 volume 0.36852E-02 ppm1 9.975 ppm2 1.806 CV 1 OR { 89} (( segid "B " and resid 114 and name HN )) ( segid "B " and resid 24 and name HE% ) ASSI { 94} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 122 and name HB3 )) 3.700 1.700 1.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.19891E-02 ppm1 7.779 ppm2 2.261 CV 1 OR { 94} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 125 and name HB2 )) OR { 94} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 122 and name HB2 )) OR { 94} (( segid "B " and resid 124 and name HN )) (( segid "B " and resid 125 and name HB3 )) ASSI { 115} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 40 and name HA )) 4.400 2.400 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.55865E-03 ppm1 7.779 ppm2 4.295 CV 1 OR { 115} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 109 and name HA )) OR { 115} (( segid "B " and resid 85 and name HN )) (( segid "B " and resid 108 and name HA )) ASSI { 138} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 40 and name HB )) 4.200 2.200 1.800 peak 138 spectrum 1 weight 0.10000E+01 volume 0.37548E-03 ppm1 6.491 ppm2 1.828 CV 1 OR { 138} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 60 and name HB3 )) OR { 138} (( segid "B " and resid 61 and name HD21)) (( segid "B " and resid 60 and name HB2 )) ASSI { 139} (( segid "B " and resid 61 and name HD21)) ( segid "B " and resid 41 and name HG2%) 3.800 1.800 1.800 peak 139 spectrum 1 weight 0.10000E+01 volume 0.80993E-03 ppm1 6.491 ppm2 0.789 CV 1 OR { 139} (( segid "B " and resid 61 and name HD21)) ( segid "B " and resid 34 and name HD2%) ASSI { 140} (( segid "B " and resid 61 and name HD21)) ( segid "B " and resid 59 and name HG2%) 4.200 2.200 1.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.37236E-03 ppm1 6.491 ppm2 0.681 CV 1 OR { 140} (( segid "B " and resid 61 and name HD21)) ( segid "B " and resid 40 and name HG2%) ASSI { 148} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 60 and name HB3 )) 3.800 1.800 1.800 peak 148 spectrum 1 weight 0.10000E+01 volume 0.38866E-03 ppm1 7.238 ppm2 1.828 CV 1 OR { 148} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 60 and name HB2 )) OR { 148} (( segid "B " and resid 61 and name HD22)) (( segid "B " and resid 40 and name HB )) ASSI { 149} (( segid "B " and resid 61 and name HD22)) ( segid "B " and resid 34 and name HD2%) 4.300 2.300 1.700 peak 149 spectrum 1 weight 0.10000E+01 volume 0.85452E-03 ppm1 7.238 ppm2 0.789 CV 1 OR { 149} (( segid "B " and resid 61 and name HD22)) ( segid "B " and resid 41 and name HG2%) ASSI { 169} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 52 and name HB3 )) 4.100 2.100 1.900 peak 169 spectrum 1 weight 0.10000E+01 volume 0.66271E-03 ppm1 8.320 ppm2 1.806 CV 1 OR { 169} (( segid "B " and resid 54 and name HN )) (( segid "B " and resid 121 and name HG )) ASSI { 170} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 70 and name HB3 )) 3.200 1.300 1.300 peak 170 spectrum 1 weight 0.10000E+01 volume 0.29492E-02 ppm1 10.213 ppm2 1.655 CV 1 OR { 170} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 74 and name HB3 )) ASSI { 173} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 65 and name HB3 )) 4.100 2.100 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15117E-02 ppm1 10.224 ppm2 1.525 CV 1 OR { 173} (( segid "B " and resid 71 and name HN )) (( segid "B " and resid 74 and name HG )) ASSI { 185} (( segid "B " and resid 14 and name HE22)) (( segid "B " and resid 14 and name HG2 )) 3.700 1.700 1.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.25055E-02 ppm1 7.671 ppm2 2.304 CV 1 OR { 185} (( segid "B " and resid 14 and name HE22)) (( segid "A " and resid 104 and name HG2 )) ASSI { 203} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HE3 )) 5.000 3.200 1.000 peak 203 spectrum 1 weight 0.10000E+01 volume 0.92885E-03 ppm1 8.266 ppm2 2.932 CV 1 OR { 203} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 29 and name HB3 )) OR { 203} (( segid "B " and resid 28 and name HN )) (( segid "B " and resid 28 and name HE2 )) ASSI { 211} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 128 and name HG )) 4.200 2.200 1.800 peak 211 spectrum 1 weight 0.10000E+01 volume 0.11607E-02 ppm1 6.881 ppm2 1.157 CV 1 OR { 211} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 57 and name HG3 )) ASSI { 214} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 58 and name HN )) 3.600 1.700 1.700 peak 214 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 6.881 ppm2 7.995 CV 1 OR { 214} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 62 and name HN )) ASSI { 217} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 57 and name HA )) 3.900 1.900 1.900 peak 217 spectrum 1 weight 0.10000E+01 volume 0.75190E-03 ppm1 6.881 ppm2 4.035 CV 1 OR { 217} (( segid "B " and resid 59 and name HN )) (( segid "B " and resid 60 and name HA )) ASSI { 232} (( segid "B " and resid 76 and name HN )) (( segid "B " and resid 76 and name HB2 )) 2.200 0.600 0.600 peak 232 spectrum 1 weight 0.10000E+01 volume 0.10749E-01 ppm1 7.498 ppm2 1.655 CV 1 OR { 232} (( segid "B " and resid 76 and name HN )) ( segid "B " and resid 75 and name HB% ) ASSI { 244} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 58 and name HB2 )) 4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.11257E-02 ppm1 8.331 ppm2 1.785 CV 1 OR { 244} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 121 and name HG )) ASSI { 245} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 128 and name HB2 )) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.27142E-02 ppm1 8.331 ppm2 1.309 CV 1 OR { 245} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 56 and name HB3 )) OR { 245} (( segid "B " and resid 56 and name HN )) (( segid "B " and resid 51 and name HG )) ASSI { 256} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 36 and name HB3 )) 3.100 1.200 1.200 peak 256 spectrum 1 weight 0.10000E+01 volume 0.74159E-02 ppm1 7.844 ppm2 2.023 CV 1 OR { 256} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 35 and name HB3 )) ASSI { 262} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 33 and name HA )) 2.800 1.000 1.000 peak 262 spectrum 1 weight 0.10000E+01 volume 0.36971E-02 ppm1 7.844 ppm2 3.862 CV 1 OR { 262} (( segid "B " and resid 36 and name HN )) (( segid "B " and resid 35 and name HA )) ASSI { 274} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 124 and name HA2 )) 4.500 2.500 1.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.93749E-03 ppm1 8.168 ppm2 3.840 CV 1 OR { 274} (( segid "B " and resid 123 and name HN )) (( segid "B " and resid 125 and name HA )) ASSI { 285} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 47 and name HB2 )) 3.100 1.200 1.200 peak 285 spectrum 1 weight 0.10000E+01 volume 0.40927E-02 ppm1 8.969 ppm2 2.737 CV 1 OR { 285} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 49 and name HB3 )) OR { 285} (( segid "B " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB3 )) ASSI { 306} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 45 and name HB )) 4.200 2.200 1.800 peak 306 spectrum 1 weight 0.10000E+01 volume 0.71161E-03 ppm1 8.742 ppm2 2.304 CV 1 OR { 306} (( segid "B " and resid 45 and name HN )) (( segid "B " and resid 44 and name HB2 )) ASSI { 317} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 48 and name HA )) 3.600 1.600 1.600 peak 317 spectrum 1 weight 0.10000E+01 volume 0.11475E-02 ppm1 8.969 ppm2 4.122 CV 1 OR { 317} (( segid "B " and resid 49 and name HN )) (( segid "A " and resid 50 and name HA )) OR { 317} (( segid "B " and resid 49 and name HN )) (( segid "B " and resid 50 and name HA )) ASSI { 339} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 339 spectrum 1 weight 0.10000E+01 volume 0.54211E-02 ppm1 7.606 ppm2 1.655 CV 1 OR { 339} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 72 and name HB3 )) OR { 339} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 74 and name HB3 )) ASSI { 340} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 65 and name HB3 )) 3.800 1.800 1.800 peak 340 spectrum 1 weight 0.10000E+01 volume 0.16529E-02 ppm1 7.606 ppm2 1.525 CV 1 OR { 340} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 74 and name HG )) ASSI { 349} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 70 and name HA )) 3.000 1.100 1.100 peak 349 spectrum 1 weight 0.10000E+01 volume 0.19236E-02 ppm1 7.606 ppm2 3.278 CV 1 OR { 349} (( segid "B " and resid 73 and name HN )) (( segid "B " and resid 72 and name HA )) ASSI { 361} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 21 and name HB2 )) 3.000 1.200 1.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.67327E-02 ppm1 7.260 ppm2 2.520 CV 1 OR { 361} (( segid "B " and resid 21 and name HN )) (( segid "B " and resid 22 and name HG2 )) ASSI { 363} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 363 spectrum 1 weight 0.10000E+01 volume 0.25655E-02 ppm1 7.876 ppm2 1.655 CV 1 OR { 363} (( segid "B " and resid 77 and name HN )) ( segid "B " and resid 75 and name HB% ) ASSI { 365} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 76 and name HG2 )) 4.000 2.000 2.000 peak 365 spectrum 1 weight 0.10000E+01 volume 0.13854E-02 ppm1 7.876 ppm2 1.395 CV 1 OR { 365} (( segid "B " and resid 77 and name HN )) (( segid "B " and resid 79 and name HG )) ASSI { 381} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 40 and name HG13)) 4.100 2.100 1.900 peak 381 spectrum 1 weight 0.10000E+01 volume 0.12676E-02 ppm1 7.433 ppm2 1.741 CV 1 OR { 381} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 33 and name HB3 )) ASSI { 383} (( segid "B " and resid 37 and name HN )) ( segid "B " and resid 40 and name HD1%) 3.700 1.700 1.700 peak 383 spectrum 1 weight 0.10000E+01 volume 0.17879E-02 ppm1 7.433 ppm2 0.768 CV 1 OR { 383} (( segid "B " and resid 37 and name HN )) ( segid "B " and resid 34 and name HD2%) ASSI { 391} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 35 and name HA )) 2.800 1.000 1.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.41910E-02 ppm1 7.433 ppm2 3.862 CV 1 OR { 391} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 38 and name HD3 )) OR { 391} (( segid "B " and resid 37 and name HN )) (( segid "B " and resid 33 and name HA )) ASSI { 407} (( segid "B " and resid 22 and name HN )) ( segid "B " and resid 18 and name HB% ) 4.200 2.200 1.800 peak 407 spectrum 1 weight 0.10000E+01 volume 0.56992E-03 ppm1 7.682 ppm2 1.395 CV 1 OR { 407} (( segid "B " and resid 22 and name HN )) (( segid "B " and resid 100 and name HG2 )) ASSI { 415} (( segid "B " and resid 22 and name HN )) ( segid "B " and resid 23 and name HG2%) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.93605E-03 ppm1 7.692 ppm2 0.811 CV 1 OR { 415} (( segid "B " and resid 22 and name HN )) ( segid "B " and resid 110 and name HG2%) ASSI { 425} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HB3 )) 3.900 1.900 1.900 peak 425 spectrum 1 weight 0.10000E+01 volume 0.76460E-03 ppm1 8.536 ppm2 1.979 CV 1 OR { 425} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 119 and name HB3 )) ASSI { 427} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 27 and name HG3 )) 4.300 2.300 1.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.66127E-03 ppm1 8.547 ppm2 2.239 CV 1 OR { 427} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HG3 )) ASSI { 429} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 114 and name HB2 )) 3.100 1.200 1.200 peak 429 spectrum 1 weight 0.10000E+01 volume 0.49342E-02 ppm1 8.547 ppm2 1.806 CV 1 OR { 429} (( segid "B " and resid 115 and name HN )) ( segid "B " and resid 24 and name HE% ) ASSI { 430} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 119 and name HD2 )) 4.700 2.700 1.300 peak 430 spectrum 1 weight 0.10000E+01 volume 0.82720E-03 ppm1 8.547 ppm2 1.655 CV 1 OR { 430} (( segid "B " and resid 115 and name HN )) (( segid "B " and resid 27 and name HB2 )) ASSI { 437} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 35 and name HG2 )) 2.300 0.600 0.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.12216E-01 ppm1 8.039 ppm2 1.871 CV 1 OR { 437} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HB3 )) OR { 437} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 35 and name HB2 )) ASSI { 439} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 33 and name HB2 )) 5.000 3.100 1.000 peak 439 spectrum 1 weight 0.10000E+01 volume 0.26206E-03 ppm1 8.039 ppm2 1.438 CV 1 OR { 439} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 32 and name HG3 )) OR { 439} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 60 and name HG2 )) ASSI { 441} (( segid "B " and resid 35 and name HN )) ( segid "B " and resid 34 and name HD2%) 4.500 2.600 1.500 peak 441 spectrum 1 weight 0.10000E+01 volume 0.69989E-03 ppm1 8.039 ppm2 0.768 CV 1 OR { 441} (( segid "B " and resid 35 and name HN )) ( segid "B " and resid 40 and name HD1%) ASSI { 446} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 35 and name HA )) 2.400 0.700 0.700 peak 446 spectrum 1 weight 0.10000E+01 volume 0.63945E-02 ppm1 8.039 ppm2 3.862 CV 1 OR { 446} (( segid "B " and resid 35 and name HN )) (( segid "B " and resid 34 and name HA )) ASSI { 450} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 51 and name HB3 )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.57135E-02 ppm1 6.913 ppm2 1.482 CV 1 OR { 450} (( segid "B " and resid 52 and name HN )) ( segid "B " and resid 53 and name HB% ) OR { 450} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 52 and name HG3 )) ASSI { 455} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 50 and name HA )) 3.500 1.500 1.500 peak 455 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 6.913 ppm2 4.143 CV 1 OR { 455} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 48 and name HA )) ASSI { 458} (( segid "B " and resid 52 and name HN )) (( segid "B " and resid 49 and name HB2 )) 4.300 2.300 1.700 peak 458 spectrum 1 weight 0.10000E+01 volume 0.48192E-03 ppm1 6.913 ppm2 2.607 CV 1 OR { 458} (( segid "B " and resid 52 and name HN )) (( segid "A " and resid 49 and name HB2 )) ASSI { 463} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 21 and name HB3 )) 4.700 2.700 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.57736E-03 ppm1 7.119 ppm2 2.910 CV 1 OR { 463} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 24 and name HG3 )) ASSI { 470} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HN )) 3.500 1.600 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.12844E-02 ppm1 7.130 ppm2 7.930 CV 1 OR { 470} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 17 and name HN )) ASSI { 475} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 17 and name HA )) 2.800 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.38531E-02 ppm1 7.130 ppm2 4.100 CV 1 OR { 475} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 18 and name HA )) ASSI { 477} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 22 and name HG2 )) 4.300 2.300 1.700 peak 477 spectrum 1 weight 0.10000E+01 volume 0.77611E-03 ppm1 7.130 ppm2 2.520 CV 1 OR { 477} (( segid "B " and resid 20 and name HN )) (( segid "B " and resid 21 and name HB2 )) ASSI { 492} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 73 and name HB3 )) 3.500 1.500 1.500 peak 492 spectrum 1 weight 0.10000E+01 volume 0.13134E-02 ppm1 7.649 ppm2 1.828 CV 1 OR { 492} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 65 and name HG2 )) ASSI { 495} (( segid "B " and resid 66 and name HN )) ( segid "B " and resid 73 and name HD1%) 3.700 1.700 1.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.28244E-02 ppm1 7.649 ppm2 0.659 CV 1 OR { 495} (( segid "B " and resid 66 and name HN )) ( segid "B " and resid 70 and name HD2%) ASSI { 499} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 65 and name HA )) 2.000 0.500 0.500 peak 499 spectrum 1 weight 0.10000E+01 volume 0.15647E-01 ppm1 7.649 ppm2 3.776 CV 1 OR { 499} (( segid "B " and resid 66 and name HN )) (( segid "B " and resid 66 and name HA )) ASSI { 504} (( segid "B " and resid 82 and name HN )) ( segid "A " and resid 7 and name HE% ) 4.300 2.400 1.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.47019E-03 ppm1 8.309 ppm2 7.563 CV 1 OR { 504} (( segid "B " and resid 82 and name HN )) ( segid "B " and resid 107 and name HD% ) ASSI { 516} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 82 and name HA )) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.47712E-02 ppm1 8.320 ppm2 4.122 CV 1 OR { 516} (( segid "B " and resid 82 and name HN )) (( segid "B " and resid 81 and name HD3 )) ASSI { 524} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HB3 )) 3.200 1.300 1.300 peak 524 spectrum 1 weight 0.10000E+01 volume 0.48768E-02 ppm1 7.985 ppm2 1.871 CV 1 OR { 524} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 40 and name HB )) OR { 524} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 32 and name HB3 )) ASSI { 525} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HG )) 2.400 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.63682E-02 ppm1 7.985 ppm2 1.741 CV 1 OR { 525} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HB3 )) ASSI { 530} (( segid "B " and resid 34 and name HN )) ( segid "B " and resid 34 and name HD2%) 3.700 1.700 1.700 peak 530 spectrum 1 weight 0.10000E+01 volume 0.23137E-02 ppm1 7.985 ppm2 0.768 CV 1 OR { 530} (( segid "B " and resid 34 and name HN )) ( segid "B " and resid 40 and name HD1%) ASSI { 535} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 34 and name HA )) 2.600 0.900 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.35103E-02 ppm1 7.985 ppm2 3.862 CV 1 OR { 535} (( segid "B " and resid 34 and name HN )) (( segid "B " and resid 33 and name HA )) ASSI { 557} (( segid "B " and resid 10 and name HN )) ( segid "A " and resid 105 and name HD% ) 3.900 1.900 1.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 8.396 ppm2 7.454 CV 1 OR { 557} (( segid "B " and resid 10 and name HN )) ( segid "B " and resid 7 and name HD% ) ASSI { 565} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 9 and name HA )) 3.000 1.200 1.200 peak 565 spectrum 1 weight 0.10000E+01 volume 0.23547E-02 ppm1 8.785 ppm2 4.122 CV 1 OR { 565} (( segid "B " and resid 12 and name HN )) (( segid "B " and resid 13 and name HA )) ASSI { 581} (( segid "B " and resid 32 and name HN )) (( segid "B " and resid 120 and name HH2 )) 4.700 2.700 1.300 peak 581 spectrum 1 weight 0.10000E+01 volume 0.61189E-03 ppm1 7.692 ppm2 6.848 CV 1 OR { 581} (( segid "B " and resid 32 and name HN )) ( segid "B " and resid 31 and name HE% ) ASSI { 634} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 23 and name HN )) 4.200 2.200 1.800 peak 634 spectrum 1 weight 0.10000E+01 volume 0.62770E-03 ppm1 8.818 ppm2 7.671 CV 1 OR { 634} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 100 and name HN )) ASSI { 637} (( segid "B " and resid 109 and name HN )) ( segid "B " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 637 spectrum 1 weight 0.10000E+01 volume 0.13343E-02 ppm1 9.131 ppm2 0.768 CV 1 OR { 637} (( segid "B " and resid 109 and name HN )) ( segid "B " and resid 110 and name HG2%) OR { 637} (( segid "B " and resid 109 and name HN )) ( segid "B " and resid 40 and name HD1%) ASSI { 639} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 109 and name HA )) 2.700 0.900 0.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.35582E-02 ppm1 9.131 ppm2 4.295 CV 1 OR { 639} (( segid "B " and resid 109 and name HN )) (( segid "B " and resid 108 and name HA )) ASSI { 657} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 105 and name HA )) 2.900 1.100 1.100 peak 657 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 8.114 ppm2 4.338 CV 1 OR { 657} (( segid "B " and resid 105 and name HN )) (( segid "B " and resid 106 and name HA2 )) ASSI { 669} (( segid "B " and resid 112 and name HN )) ( segid "B " and resid 24 and name HE% ) 3.700 1.700 1.700 peak 669 spectrum 1 weight 0.10000E+01 volume 0.21327E-02 ppm1 8.818 ppm2 1.828 CV 1 OR { 669} (( segid "B " and resid 112 and name HN )) (( segid "B " and resid 25 and name HB3 )) ASSI { 691} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 116 and name HA2 )) 3.800 1.800 1.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.48674E-03 ppm1 9.088 ppm2 3.429 CV 1 OR { 691} (( segid "B " and resid 118 and name HN )) (( segid "B " and resid 120 and name HB2 )) ASSI { 705} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 101 and name HA )) 2.400 0.700 0.700 peak 705 spectrum 1 weight 0.10000E+01 volume 0.74952E-02 ppm1 7.822 ppm2 4.078 CV 1 OR { 705} (( segid "B " and resid 101 and name HN )) (( segid "B " and resid 100 and name HA )) ASSI { 727} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 101 and name HA )) 3.300 1.300 1.300 peak 727 spectrum 1 weight 0.10000E+01 volume 0.12667E-02 ppm1 8.731 ppm2 4.078 CV 1 OR { 727} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 100 and name HA )) ASSI { 730} (( segid "B " and resid 102 and name HN )) (( segid "B " and resid 102 and name HB2 )) 2.600 0.800 0.800 peak 730 spectrum 1 weight 0.10000E+01 volume 0.30259E-02 ppm1 8.742 ppm2 0.789 CV 1 OR { 730} (( segid "B " and resid 102 and name HN )) ( segid "B " and resid 110 and name HD1%) ASSI { 735} (( segid "B " and resid 26 and name HN )) (( segid "B " and resid 25 and name HB2 )) 3.100 1.200 1.200 peak 735 spectrum 1 weight 0.10000E+01 volume 0.34477E-02 ppm1 9.272 ppm2 1.611 CV 1 OR { 735} (( segid "B " and resid 26 and name HN )) ( segid "B " and resid 30 and name HB% ) ASSI { 774} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 61 and name HB2 )) 2.900 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.44452E-02 ppm1 9.294 ppm2 2.758 CV 1 OR { 774} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 62 and name HB3 )) OR { 774} (( segid "B " and resid 61 and name HN )) (( segid "B " and resid 62 and name HB2 )) ASSI { 776} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 49 and name HA )) 3.900 1.900 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.74470E-03 ppm1 6.848 ppm2 4.295 CV 1 OR { 776} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 55 and name HA2 )) ASSI { 787} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 53 and name HN )) 3.800 1.800 1.800 peak 787 spectrum 1 weight 0.10000E+01 volume 0.89985E-03 ppm1 6.859 ppm2 7.541 CV 1 OR { 787} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 55 and name HN )) ASSI { 790} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 48 and name HA )) 3.100 1.200 1.200 peak 790 spectrum 1 weight 0.10000E+01 volume 0.22655E-02 ppm1 6.859 ppm2 4.122 CV 1 OR { 790} (( segid "B " and resid 51 and name HN )) (( segid "B " and resid 50 and name HA )) ASSI { 792} (( segid "B " and resid 79 and name HN )) (( segid "B " and resid 79 and name HG )) 2.300 0.600 0.600 peak 792 spectrum 1 weight 0.10000E+01 volume 0.12940E-01 ppm1 7.833 ppm2 1.395 CV 1 OR { 792} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 16 and name HG2 )) OR { 792} (( segid "B " and resid 16 and name HN )) ( segid "B " and resid 17 and name HB% ) ASSI { 793} (( segid "B " and resid 79 and name HN )) ( segid "B " and resid 79 and name HD1%) 2.500 0.800 0.800 peak 793 spectrum 1 weight 0.10000E+01 volume 0.57257E-02 ppm1 7.833 ppm2 0.746 CV 1 OR { 793} (( segid "B " and resid 16 and name HN )) ( segid "B " and resid 15 and name HG1%) ASSI { 797} (( segid "B " and resid 79 and name HN )) (( segid "B " and resid 80 and name HN )) 3.700 1.700 1.700 peak 797 spectrum 1 weight 0.10000E+01 volume 0.12281E-02 ppm1 7.833 ppm2 8.601 CV 1 OR { 797} (( segid "B " and resid 79 and name HN )) (( segid "A " and resid 4 and name HN )) ASSI { 805} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 5 and name HG3 )) 3.800 1.800 1.800 peak 805 spectrum 1 weight 0.10000E+01 volume 0.20831E-02 ppm1 8.201 ppm2 2.391 CV 1 OR { 805} (( segid "B " and resid 5 and name HN )) (( segid "B " and resid 3 and name HG3 )) ASSI { 820} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 122 and name HB2 )) 4.000 2.000 2.000 peak 820 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 7.454 ppm2 2.239 CV 1 OR { 820} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 122 and name HB3 )) OR { 820} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 27 and name HG3 )) ASSI { 826} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 120 and name HA )) 4.400 2.400 1.600 peak 826 spectrum 1 weight 0.10000E+01 volume 0.10147E-02 ppm1 7.454 ppm2 3.776 CV 1 OR { 826} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 115 and name HA1 )) ASSI { 828} (( segid "B " and resid 79 and name HN )) ( segid "B " and resid 74 and name HD2%) 4.800 2.900 1.200 peak 828 spectrum 1 weight 0.10000E+01 volume 0.49751E-03 ppm1 7.822 ppm2 0.162 CV 1 OR { 828} (( segid "B " and resid 79 and name HN )) ( segid "B " and resid 102 and name HD1%) ASSI { 831} (( segid "B " and resid 79 and name HN )) (( segid "B " and resid 78 and name HA2 )) 6.000 6.000 0.000 peak 831 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 7.833 ppm2 4.122 CV 1 OR { 831} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 13 and name HA )) ASSI { 832} (( segid "B " and resid 16 and name HN )) (( segid "B " and resid 16 and name HA )) 6.000 4.600 0.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.27814E-04 ppm1 7.833 ppm2 3.797 CV 1 OR { 832} (( segid "B " and resid 79 and name HN )) (( segid "B " and resid 78 and name HA1 )) ASSI { 833} (( segid "B " and resid 79 and name HN )) (( segid "B " and resid 79 and name HA )) 2.500 0.800 0.800 peak 833 spectrum 1 weight 0.10000E+01 volume 0.41455E-02 ppm1 7.833 ppm2 4.252 CV 1 OR { 833} (( segid "B " and resid 79 and name HN )) (( segid "A " and resid 4 and name HA2 )) ASSI { 837} (( segid "B " and resid 9 and name HN )) (( segid "B " and resid 8 and name HB3 )) 2.400 0.700 0.700 peak 837 spectrum 1 weight 0.10000E+01 volume 0.71139E-02 ppm1 8.352 ppm2 2.888 CV 1 OR { 837} (( segid "B " and resid 9 and name HN )) (( segid "B " and resid 8 and name HB2 )) OR { 837} (( segid "B " and resid 7 and name HN )) (( segid "B " and resid 8 and name HB3 )) ASSI { 850} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 7 and name HN )) 2.400 0.700 0.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.67733E-02 ppm1 8.590 ppm2 8.363 CV 1 OR { 850} (( segid "B " and resid 8 and name HN )) (( segid "B " and resid 9 and name HN )) ASSI { 861} (( segid "B " and resid 113 and name HN )) ( segid "B " and resid 24 and name HE% ) 3.800 1.800 1.800 peak 861 spectrum 1 weight 0.10000E+01 volume 0.61549E-03 ppm1 7.249 ppm2 1.806 CV 1 OR { 861} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 114 and name HB2 )) ASSI { 862} (( segid "B " and resid 113 and name HN )) (( segid "B " and resid 25 and name HB2 )) 4.300 2.300 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.42847E-03 ppm1 7.249 ppm2 1.611 CV 1 OR { 862} (( segid "B " and resid 113 and name HN )) ( segid "B " and resid 30 and name HB% ) ASSI { 873} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 116 and name HA2 )) 3.800 1.900 1.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.74616E-03 ppm1 7.454 ppm2 3.451 CV 1 OR { 873} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 120 and name HB2 )) OR { 873} (( segid "B " and resid 119 and name HN )) (( segid "B " and resid 120 and name HB3 )) ASSI { 876} (( segid "B " and resid 96 and name HN )) ( segid "B " and resid 24 and name HE% ) 3.700 1.700 1.700 peak 876 spectrum 1 weight 0.10000E+01 volume 0.20464E-02 ppm1 7.584 ppm2 1.806 CV 1 OR { 876} (( segid "B " and resid 96 and name HN )) (( segid "B " and resid 19 and name HB3 )) ASSI { 889} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 74 and name HB3 )) 2.000 0.500 0.500 peak 889 spectrum 1 weight 0.10000E+01 volume 0.12300E-01 ppm1 8.277 ppm2 1.655 CV 1 OR { 889} (( segid "B " and resid 75 and name HN )) ( segid "B " and resid 75 and name HB% ) ASSI { 913} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 19 and name HB3 )) 3.300 1.400 1.400 peak 913 spectrum 1 weight 0.10000E+01 volume 0.33735E-02 ppm1 7.941 ppm2 1.850 CV 1 OR { 913} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 16 and name HB3 )) OR { 913} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 16 and name HB2 )) ASSI { 915} (( segid "B " and resid 18 and name HN )) ( segid "B " and resid 18 and name HB% ) 2.100 0.600 0.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.19603E-01 ppm1 7.941 ppm2 1.417 CV 1 OR { 915} (( segid "B " and resid 18 and name HN )) ( segid "B " and resid 17 and name HB% ) ASSI { 919} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 16 and name HA )) 3.300 1.400 1.400 peak 919 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 7.941 ppm2 3.797 CV 1 OR { 919} (( segid "B " and resid 18 and name HN )) (( segid "B " and resid 19 and name HA )) ASSI { 921} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 83 and name HB3 )) 2.500 0.800 0.800 peak 921 spectrum 1 weight 0.10000E+01 volume 0.57761E-02 ppm1 7.995 ppm2 2.109 CV 1 OR { 921} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 82 and name HG2 )) ASSI { 922} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.53637E-02 ppm1 7.995 ppm2 1.914 CV 1 OR { 922} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 83 and name HB2 )) ASSI { 928} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 82 and name HA )) 2.800 1.000 1.000 peak 928 spectrum 1 weight 0.10000E+01 volume 0.40280E-02 ppm1 7.995 ppm2 4.122 CV 1 OR { 928} (( segid "B " and resid 83 and name HN )) (( segid "B " and resid 84 and name HD3 )) ASSI { 933} (( segid "B " and resid 75 and name HN )) (( segid "B " and resid 73 and name HN )) 4.000 2.000 2.000 peak 933 spectrum 1 weight 0.10000E+01 volume 0.13647E-02 ppm1 8.277 ppm2 7.584 CV 1 OR { 933} (( segid "B " and resid 75 and name HN )) ( segid "A " and resid 7 and name HE% ) ASSI { 936} (( segid "B " and resid 29 and name HN )) ( segid "B " and resid 30 and name HB% ) 3.500 1.500 1.500 peak 936 spectrum 1 weight 0.10000E+01 volume 0.39681E-02 ppm1 7.649 ppm2 1.611 CV 1 OR { 936} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HD2 )) OR { 936} (( segid "B " and resid 29 and name HN )) (( segid "B " and resid 28 and name HD3 )) ASSI { 954} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 34 and name HA )) 4.700 2.800 1.300 peak 954 spectrum 1 weight 0.10000E+01 volume 0.45747E-03 ppm1 7.746 ppm2 3.840 CV 1 OR { 954} (( segid "B " and resid 40 and name HN )) (( segid "B " and resid 38 and name HD3 )) ASSI { 960} (( segid "B " and resid 107 and name HN )) ( segid "B " and resid 110 and name HG2%) 4.000 2.000 2.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 8.363 ppm2 0.768 CV 1 OR { 960} (( segid "B " and resid 107 and name HN )) ( segid "B " and resid 110 and name HD1%) OR { 960} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 102 and name HB2 )) ASSI { 961} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 105 and name HN )) 4.000 2.000 2.000 peak 961 spectrum 1 weight 0.10000E+01 volume 0.12609E-02 ppm1 8.363 ppm2 8.082 CV 1 OR { 961} (( segid "B " and resid 107 and name HN )) (( segid "B " and resid 104 and name HN )) ASSI { 970} (( segid "B " and resid 14 and name HN )) ( segid "B " and resid 17 and name HB% ) 4.100 2.100 1.900 peak 970 spectrum 1 weight 0.10000E+01 volume 0.97442E-03 ppm1 8.536 ppm2 1.417 CV 1 OR { 970} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 16 and name HG2 )) ASSI { 975} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 16 and name HB2 )) 3.900 1.900 1.900 peak 975 spectrum 1 weight 0.10000E+01 volume 0.86243E-03 ppm1 8.547 ppm2 1.850 CV 1 OR { 975} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 12 and name HB3 )) OR { 975} (( segid "B " and resid 14 and name HN )) (( segid "B " and resid 16 and name HB3 )) ASSI { 999} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 81 and name HD3 )) 4.000 2.000 2.000 peak 999 spectrum 1 weight 0.10000E+01 volume 0.96169E-03 ppm1 8.601 ppm2 4.100 CV 1 OR { 999} (( segid "B " and resid 80 and name HN )) (( segid "B " and resid 82 and name HA )) ASSI { 1004} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 3 and name HG3 )) 4.900 3.000 1.100 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.46058E-03 ppm1 7.790 ppm2 2.391 CV 1 OR { 1004} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 3 and name HG2 )) OR { 1004} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 5 and name HG3 )) ASSI { 1014} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 6 and name HA )) 2.700 0.900 0.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.33375E-02 ppm1 7.790 ppm2 4.208 CV 1 OR { 1014} (( segid "B " and resid 6 and name HN )) (( segid "B " and resid 5 and name HA )) ASSI { 1021} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 102 and name HB2 )) 5.100 3.300 0.900 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.38842E-03 ppm1 8.060 ppm2 0.768 CV 1 OR { 1021} (( segid "B " and resid 104 and name HN )) ( segid "B " and resid 110 and name HD1%) OR { 1021} (( segid "B " and resid 104 and name HN )) ( segid "B " and resid 110 and name HG2%) ASSI { 1029} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 106 and name HN )) 3.900 1.900 1.900 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.12765E-02 ppm1 8.071 ppm2 7.801 CV 1 OR { 1029} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 101 and name HN )) ASSI { 1031} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 105 and name HA )) 4.700 2.800 1.300 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.43518E-03 ppm1 8.071 ppm2 4.338 CV 1 OR { 1031} (( segid "B " and resid 104 and name HN )) (( segid "B " and resid 106 and name HA2 )) ASSI { 1042} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 42 and name HG )) 4.400 2.400 1.600 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.80801E-03 ppm1 8.764 ppm2 1.287 CV 1 OR { 1042} (( segid "B " and resid 86 and name HN )) (( segid "B " and resid 110 and name HG12)) ASSI { 1044} (( segid "B " and resid 86 and name HN )) ( segid "B " and resid 86 and name HG1%) 2.400 0.700 0.700 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.55890E-02 ppm1 8.764 ppm2 0.768 CV 1 OR { 1044} (( segid "B " and resid 86 and name HN )) ( segid "B " and resid 85 and name HG2%) ASSI { 1051} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 58 and name HA )) 3.800 1.800 1.800 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.99167E-03 ppm1 9.045 ppm2 4.403 CV 1 OR { 1051} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 129 and name HA )) ASSI { 1054} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 128 and name HG )) 3.000 1.100 1.100 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.26494E-02 ppm1 9.056 ppm2 1.179 CV 1 OR { 1054} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 56 and name HD3 )) ASSI { 1063} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 58 and name HB3 )) 4.300 2.300 1.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.56586E-03 ppm1 9.056 ppm2 2.780 CV 1 OR { 1063} (( segid "B " and resid 128 and name HN )) (( segid "B " and resid 129 and name HB3 )) ASSI { 1066} (( segid "B " and resid 87 and name HN )) ( segid "B " and resid 86 and name HG2%) 2.100 0.500 0.500 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.10240E-01 ppm1 9.142 ppm2 0.832 CV 1 OR { 1066} (( segid "B " and resid 87 and name HN )) ( segid "B " and resid 87 and name HG1%) ASSI { 1079} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 109 and name HB )) 4.400 2.400 1.600 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.64281E-03 ppm1 7.617 ppm2 3.711 CV 1 OR { 1079} (( segid "B " and resid 46 and name HN )) (( segid "B " and resid 95 and name HA )) ASSI { 1081} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 107 and name HB3 )) 2.900 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.22291E-02 ppm1 7.617 ppm2 2.932 CV 1 OR { 1081} (( segid "B " and resid 108 and name HN )) (( segid "B " and resid 108 and name HE3 )) ASSI { 1093} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 11 and name HN )) 3.300 1.400 1.400 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.17513E-02 ppm1 8.006 ppm2 8.406 CV 1 OR { 1093} (( segid "B " and resid 13 and name HN )) (( segid "B " and resid 15 and name HN )) ASSI { 1118} (( segid "B " and resid 15 and name HN )) ( segid "B " and resid 17 and name HB% ) 4.400 2.400 1.600 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.59870E-03 ppm1 8.417 ppm2 1.417 CV 1 OR { 1118} (( segid "B " and resid 15 and name HN )) ( segid "B " and resid 18 and name HB% ) OR { 1118} (( segid "B " and resid 15 and name HN )) (( segid "B " and resid 16 and name HG2 )) ASSI { 1137} (( segid "B " and resid 60 and name HN )) ( segid "B " and resid 34 and name HD2%) 4.500 2.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.51021E-03 ppm1 8.569 ppm2 0.768 CV 1 OR { 1137} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 57 and name HB3 )) ASSI { 1140} (( segid "B " and resid 60 and name HN )) ( segid "B " and resid 31 and name HE% ) 4.400 2.400 1.600 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.51213E-03 ppm1 8.569 ppm2 6.870 CV 1 OR { 1140} (( segid "B " and resid 60 and name HN )) (( segid "B " and resid 59 and name HN )) ASSI { 1151} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 102 and name HB2 )) 2.300 0.600 0.600 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.64546E-02 ppm1 8.179 ppm2 0.768 CV 1 OR { 1151} (( segid "B " and resid 103 and name HN )) ( segid "B " and resid 110 and name HD1%) OR { 1151} (( segid "B " and resid 103 and name HN )) ( segid "B " and resid 110 and name HG2%) ASSI { 1155} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 101 and name HN )) 3.700 1.700 1.700 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.179 ppm2 7.822 CV 1 OR { 1155} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 106 and name HN )) ASSI { 1158} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 100 and name HA )) 3.400 1.500 1.500 peak 1158 spectrum 1 weight 0.10000E+01 volume 0.16134E-02 ppm1 8.179 ppm2 4.078 CV 1 OR { 1158} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 101 and name HA )) ASSI { 1162} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 107 and name HB2 )) 4.300 2.300 1.700 peak 1162 spectrum 1 weight 0.10000E+01 volume 0.44525E-03 ppm1 8.179 ppm2 2.672 CV 1 OR { 1162} (( segid "B " and resid 103 and name HN )) (( segid "B " and resid 104 and name HB3 )) ASSI { 1164} (( segid "B " and resid 74 and name HN )) (( segid "B " and resid 74 and name HB3 )) 2.300 0.700 0.700 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.65624E-02 ppm1 7.736 ppm2 1.655 CV 1 OR { 1164} (( segid "B " and resid 74 and name HN )) ( segid "B " and resid 75 and name HB% ) ASSI { 1190} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 125 and name HA )) 2.600 0.900 0.900 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.52483E-02 ppm1 7.335 ppm2 3.862 CV 1 OR { 1190} (( segid "B " and resid 125 and name HN )) (( segid "B " and resid 124 and name HA2 )) ASSI { 1216} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 128 and name HG )) 4.600 2.700 1.400 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.72147E-03 ppm1 8.017 ppm2 1.179 CV 1 OR { 1216} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 57 and name HG3 )) ASSI { 1219} (( segid "B " and resid 58 and name HN )) ( segid "B " and resid 59 and name HG2%) 4.400 2.500 1.600 peak 1219 spectrum 1 weight 0.10000E+01 volume 0.92668E-03 ppm1 8.017 ppm2 0.681 CV 1 OR { 1219} (( segid "B " and resid 58 and name HN )) ( segid "B " and resid 128 and name HD2%) ASSI { 1227} (( segid "B " and resid 58 and name HN )) (( segid "B " and resid 59 and name HN )) 3.700 1.700 1.700 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.86243E-03 ppm1 8.028 ppm2 6.870 CV 1 OR { 1227} (( segid "B " and resid 58 and name HN )) ( segid "B " and resid 31 and name HE% ) ASSI { 1244} (( segid "B " and resid 89 and name HN )) ( segid "B " and resid 24 and name HE% ) 4.400 2.400 1.600 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.70538E-03 ppm1 7.205 ppm2 1.806 CV 1 OR { 1244} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 119 and name HB2 )) OR { 1244} (( segid "B " and resid 89 and name HN )) (( segid "B " and resid 114 and name HB2 )) ASSI { 1254} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 121 and name HG )) 4.000 2.000 2.000 peak 1254 spectrum 1 weight 0.10000E+01 volume 0.13508E-02 ppm1 7.833 ppm2 1.806 CV 1 OR { 1254} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 119 and name HB2 )) ASSI { 1261} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 119 and name HA )) 2.800 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.44404E-02 ppm1 7.844 ppm2 4.295 CV 1 OR { 1261} (( segid "B " and resid 122 and name HN )) (( segid "B " and resid 121 and name HA )) ASSI { 1266} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 41 and name HG2%) 3.100 1.200 1.200 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.49321E-02 ppm1 7.141 ppm2 0.789 CV 1 OR { 1266} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 85 and name HG2%) OR { 1266} (( segid "B " and resid 41 and name HN )) ( segid "B " and resid 40 and name HD1%) ASSI { 1272} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 42 and name HN )) 4.400 2.500 1.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.48121E-03 ppm1 7.151 ppm2 8.493 CV 1 OR { 1272} (( segid "B " and resid 41 and name HN )) (( segid "B " and resid 39 and name HN )) ASSI { 1282} (( segid "B " and resid 50 and name HN )) ( segid "B " and resid 53 and name HB% ) 4.700 2.700 1.300 peak 1282 spectrum 1 weight 0.10000E+01 volume 0.66247E-03 ppm1 7.444 ppm2 1.482 CV 1 OR { 1282} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 51 and name HB3 )) ASSI { 1285} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 50 and name HA )) 2.800 1.000 1.000 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.29779E-02 ppm1 7.444 ppm2 4.122 CV 1 OR { 1285} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 48 and name HA )) ASSI { 1286} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 47 and name HB2 )) 3.200 1.300 1.300 peak 1286 spectrum 1 weight 0.10000E+01 volume 0.12585E-02 ppm1 7.444 ppm2 2.737 CV 1 OR { 1286} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 49 and name HB3 )) OR { 1286} (( segid "B " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB3 )) ASSI { 1287} (( segid "B " and resid 50 and name HN )) (( segid "B " and resid 49 and name HB2 )) 3.200 1.300 1.300 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.13882E-02 ppm1 7.444 ppm2 2.607 CV 1 OR { 1287} (( segid "B " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB2 )) ASSI { 1299} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 117 and name HA )) 2.900 1.100 1.100 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.25391E-02 ppm1 8.504 ppm2 4.317 CV 1 OR { 1299} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 119 and name HA )) ASSI { 1303} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 122 and name HB2 )) 4.200 2.200 1.800 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.70850E-03 ppm1 8.515 ppm2 2.261 CV 1 OR { 1303} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 122 and name HB3 )) OR { 1303} (( segid "B " and resid 120 and name HN )) (( segid "B " and resid 125 and name HB2 )) ASSI { 1306} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 114 and name HB3 )) 4.500 2.500 1.500 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.60349E-03 ppm1 8.926 ppm2 2.001 CV 1 OR { 1306} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 22 and name HB3 )) ASSI { 1307} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 25 and name HB3 )) 2.900 1.100 1.100 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.44620E-02 ppm1 8.926 ppm2 1.828 CV 1 OR { 1307} (( segid "B " and resid 25 and name HN )) ( segid "B " and resid 24 and name HE% ) ASSI { 1315} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 112 and name HB2 )) 4.800 2.900 1.200 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.49968E-03 ppm1 8.926 ppm2 2.650 CV 1 OR { 1315} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 24 and name HG2 )) ASSI { 1316} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 111 and name HB2 )) 4.700 2.700 1.300 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.62315E-03 ppm1 8.937 ppm2 2.910 CV 1 OR { 1316} (( segid "B " and resid 25 and name HN )) (( segid "B " and resid 24 and name HG3 )) ASSI { 1317} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 12 and name HB2 )) 4.500 2.500 1.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.85117E-03 ppm1 8.417 ppm2 1.720 CV 1 OR { 1317} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 15 and name HB )) ASSI { 1318} (( segid "B " and resid 11 and name HN )) ( segid "B " and resid 9 and name HB% ) 4.200 2.200 1.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.98880E-03 ppm1 8.417 ppm2 1.611 CV 1 OR { 1318} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 12 and name HD3 )) ASSI { 1325} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 8 and name HB3 )) 5.000 3.100 1.000 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.28940E-03 ppm1 8.417 ppm2 2.867 CV 1 OR { 1325} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 8 and name HB2 )) OR { 1325} (( segid "B " and resid 11 and name HN )) (( segid "B " and resid 14 and name HG3 )) ASSI { 1334} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 63 and name HG3 )) 3.600 1.700 1.700 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.24672E-02 ppm1 8.634 ppm2 1.309 CV 1 OR { 1334} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 43 and name HG13)) ASSI { 1344} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 63 and name HG2 )) 4.500 2.500 1.500 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.91038E-03 ppm1 8.645 ppm2 1.179 CV 1 OR { 1344} (( segid "B " and resid 64 and name HN )) (( segid "B " and resid 56 and name HD3 )) ASSI { 1362} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 63 and name HN )) 3.900 1.900 1.900 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.10418E-02 ppm1 7.974 ppm2 8.471 CV 1 OR { 1362} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 42 and name HN )) ASSI { 1368} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 63 and name HA )) 4.200 2.300 1.800 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.48674E-03 ppm1 7.985 ppm2 4.230 CV 1 OR { 1368} (( segid "B " and resid 62 and name HN )) (( segid "B " and resid 41 and name HA )) ASSI { 1374} (( segid "B " and resid 30 and name HN )) ( segid "B " and resid 25 and name HD2%) 4.000 2.000 2.000 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.86219E-03 ppm1 9.067 ppm2 0.941 CV 1 OR { 1374} (( segid "B " and resid 30 and name HN )) ( segid "B " and resid 34 and name HD1%) ASSI { 1375} (( segid "B " and resid 30 and name HN )) ( segid "B " and resid 25 and name HD1%) 3.400 1.400 1.400 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 9.067 ppm2 0.573 CV 1 OR { 1375} (( segid "B " and resid 30 and name HN )) ( segid "B " and resid 33 and name HD1%) ASSI { 1382} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 26 and name HB2 )) 4.800 2.800 1.200 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.33711E-03 ppm1 9.067 ppm2 4.100 CV 1 OR { 1382} (( segid "B " and resid 30 and name HN )) (( segid "B " and resid 31 and name HA )) ASSI { 1393} (( segid "B " and resid 24 and name HN )) ( segid "B " and resid 24 and name HE% ) 4.000 2.000 2.000 peak 1393 spectrum 1 weight 0.10000E+01 volume 0.26686E-02 ppm1 8.861 ppm2 1.828 CV 1 OR { 1393} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 19 and name HB2 )) OR { 1393} (( segid "B " and resid 24 and name HN )) (( segid "B " and resid 114 and name HB2 )) ASSI { 1421} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 84 and name HB2 )) 4.500 2.500 1.500 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.78450E-03 ppm1 8.082 ppm2 1.914 CV 1 OR { 1421} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 22 and name HB2 )) OR { 1421} (( segid "B " and resid 110 and name HN )) (( segid "B " and resid 103 and name HG3 )) ASSI { 1423} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 110 and name HB )) 4.900 3.000 1.100 peak 1423 spectrum 1 weight 0.10000E+01 volume 0.58310E-03 ppm1 9.088 ppm2 1.655 CV 1 OR { 1423} (( segid "B " and resid 111 and name HN )) (( segid "B " and resid 25 and name HG )) ASSI { 1424} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 110 and name HG2%) 2.900 1.100 1.100 peak 1424 spectrum 1 weight 0.10000E+01 volume 0.67037E-02 ppm1 9.088 ppm2 0.789 CV 1 OR { 1424} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 110 and name HD1%) OR { 1424} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 87 and name HG2%) OR { 1424} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 86 and name HG1%) ASSI { 1430} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 109 and name HG2%) 4.800 2.900 1.200 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.41336E-03 ppm1 9.099 ppm2 1.049 CV 1 OR { 1430} (( segid "B " and resid 111 and name HN )) ( segid "B " and resid 23 and name HG1%) ASSI { 1449} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 87 and name HB )) 4.100 2.100 1.900 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.11825E-02 ppm1 9.164 ppm2 1.871 CV 1 OR { 1449} (( segid "B " and resid 43 and name HN )) (( segid "B " and resid 86 and name HB )) ASSI { 1456} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 86 and name HG1%) 3.800 1.800 1.800 peak 1456 spectrum 1 weight 0.10000E+01 volume 0.20867E-02 ppm1 9.175 ppm2 0.768 CV 1 OR { 1456} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 34 and name HD2%) OR { 1456} (( segid "B " and resid 43 and name HN )) ( segid "B " and resid 87 and name HG2%) ASSI { 1476} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 63 and name HG3 )) 2.500 0.800 0.800 peak 1476 spectrum 1 weight 0.10000E+01 volume 0.35054E-02 ppm1 8.482 ppm2 1.309 CV 1 OR { 1476} (( segid "B " and resid 63 and name HN )) (( segid "B " and resid 43 and name HG13)) ASSI { 1487} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 42 and name HG )) 3.500 1.500 1.500 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 8.482 ppm2 1.309 CV 1 OR { 1487} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 63 and name HG3 )) OR { 1487} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 43 and name HG13)) ASSI { 1489} (( segid "B " and resid 42 and name HN )) ( segid "B " and resid 59 and name HG2%) 3.100 1.200 1.200 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.25559E-02 ppm1 8.482 ppm2 0.681 CV 1 OR { 1489} (( segid "B " and resid 42 and name HN )) ( segid "B " and resid 40 and name HG2%) ASSI { 1491} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 62 and name HB2 )) 3.600 1.600 1.600 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.14381E-02 ppm1 8.482 ppm2 2.758 CV 1 OR { 1491} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 61 and name HB2 )) OR { 1491} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 62 and name HB3 )) ASSI { 1494} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 42 and name HB2 )) 2.900 1.100 1.100 peak 1494 spectrum 1 weight 0.10000E+01 volume 0.22274E-02 ppm1 8.493 ppm2 1.503 CV 1 OR { 1494} (( segid "B " and resid 42 and name HN )) (( segid "B " and resid 63 and name HD2 )) ASSI { 1505} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 58 and name HB2 )) 4.500 2.600 1.500 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.68045E-03 ppm1 9.824 ppm2 1.785 CV 1 OR { 1505} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 121 and name HG )) ASSI { 1512} (( segid "B " and resid 120 and name HE1 )) (( segid "B " and resid 120 and name HH2 )) 4.400 2.400 1.600 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.64641E-03 ppm1 9.824 ppm2 6.848 CV 1 OR { 1512} (( segid "B " and resid 120 and name HE1 )) ( segid "B " and resid 31 and name HE% ) ASSI { 1521} (( segid "B " and resid 65 and name HN )) ( segid "B " and resid 73 and name HD1%) 4.200 2.200 1.800 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.64879E-03 ppm1 7.985 ppm2 0.659 CV 1 OR { 1521} (( segid "B " and resid 65 and name HN )) ( segid "B " and resid 70 and name HD2%) ASSI { 1523} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 66 and name HN )) 4.000 2.000 2.000 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.98712E-03 ppm1 7.985 ppm2 7.649 CV 1 OR { 1523} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 46 and name HN )) ASSI { 1527} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 64 and name HB2 )) 3.700 1.700 1.700 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.16237E-02 ppm1 7.985 ppm2 2.953 CV 1 OR { 1527} (( segid "B " and resid 65 and name HN )) (( segid "B " and resid 44 and name HB3 )) ASSI { 1537} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 19 and name HA )) 2.600 0.800 0.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.74925E-02 ppm1 1.810 ppm2 3.830 CV 1 OR { 1537} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 96 and name HA )) ASSI { 1550} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 34 and name HA )) 4.200 2.200 1.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 0.779 ppm2 3.869 CV 1 OR { 1550} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 33 and name HA )) ASSI { 1551} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 40 and name HG13)) 2.500 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.43924E-02 ppm1 0.779 ppm2 1.720 CV 1 OR { 1551} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 33 and name HB3 )) ASSI { 1553} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 85 and name HA )) 4.600 2.600 1.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.85907E-03 ppm1 0.767 ppm2 5.275 CV 1 OR { 1553} ( segid "A " and resid 40 and name HD1%) (( segid "A " and resid 37 and name HA )) ASSI { 1556} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 41 and name HB )) 3.800 1.800 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.14771E-02 ppm1 0.449 ppm2 3.634 CV 1 OR { 1556} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 77 and name HB2 )) OR { 1556} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 77 and name HB3 )) ASSI { 1563} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 86 and name HN )) 3.600 1.600 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 0.449 ppm2 8.753 CV 1 OR { 1563} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 102 and name HN )) ASSI { 1566} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 85 and name HG2%) 2.400 0.700 0.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.15208E-01 ppm1 0.449 ppm2 0.782 CV 1 OR { 1566} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 41 and name HG2%) OR { 1566} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 110 and name HD1%) ASSI { 1581} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 103 and name HG3 )) 3.200 1.300 1.300 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.39467E-02 ppm1 0.754 ppm2 1.915 CV 1 OR { 1581} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 22 and name HB2 )) ASSI { 1607} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 26 and name HA )) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 1.606 ppm2 4.728 CV 1 OR { 1607} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 113 and name HA )) ASSI { 1627} ( segid "A " and resid 43 and name HG2%) ( segid "A " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.89481E-02 ppm1 0.474 ppm2 0.860 CV 1 OR { 1627} ( segid "A " and resid 43 and name HG2%) ( segid "A " and resid 87 and name HG1%) ASSI { 1629} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 64 and name HA )) 4.100 2.100 1.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.62334E-03 ppm1 0.474 ppm2 5.041 CV 1 OR { 1629} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 42 and name HA )) ASSI { 1634} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 21 and name HB3 )) 3.900 1.900 1.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.98414E-03 ppm1 1.479 ppm2 2.931 CV 1 OR { 1634} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 24 and name HG3 )) ASSI { 1641} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 98 and name HB% ) 3.100 1.200 1.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 0.678 ppm2 1.329 CV 1 OR { 1641} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 65 and name HB2 )) ASSI { 1647} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 89 and name HA )) 4.200 2.200 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.85712E-03 ppm1 1.123 ppm2 4.924 CV 1 OR { 1647} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 87 and name HA )) ASSI { 1651} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 12 and name HB3 )) 2.800 1.000 1.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.76103E-02 ppm1 1.530 ppm2 1.837 CV 1 OR { 1651} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 16 and name HB2 )) OR { 1651} ( segid "A " and resid 13 and name HB% ) (( segid "A " and resid 16 and name HB3 )) ASSI { 1661} ( segid "A " and resid 17 and name HB% ) (( segid "A " and resid 17 and name HA )) 1.900 0.400 0.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.33367E-01 ppm1 1.415 ppm2 4.103 CV 1 OR { 1661} ( segid "A " and resid 18 and name HB% ) (( segid "A " and resid 18 and name HA )) ASSI { 1673} ( segid "A " and resid 96 and name HB% ) ( segid "A " and resid 97 and name HD2%) 2.200 0.600 0.600 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10733E-01 ppm1 1.415 ppm2 0.743 CV 1 OR { 1673} ( segid "A " and resid 96 and name HB% ) ( segid "B " and resid 97 and name HD2%) ASSI { 1685} ( segid "A " and resid 98 and name HB% ) ( segid "A " and resid 87 and name HG1%) 2.300 0.700 0.700 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.61592E-02 ppm1 1.326 ppm2 0.860 CV 1 OR { 1685} ( segid "A " and resid 98 and name HB% ) ( segid "A " and resid 45 and name HG1%) ASSI { 1688} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 99 and name HA2 )) 3.600 1.600 1.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.25299E-02 ppm1 0.792 ppm2 3.556 CV 1 OR { 1688} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 99 and name HA1 )) OR { 1688} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 99 and name HA1 )) ASSI { 1689} ( segid "A " and resid 75 and name HB% ) (( segid "A " and resid 71 and name HA )) 3.700 1.700 1.700 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.20629E-02 ppm1 1.644 ppm2 3.322 CV 1 OR { 1689} ( segid "A " and resid 75 and name HB% ) (( segid "B " and resid 7 and name HB2 )) ASSI { 1696} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 70 and name HB3 )) 3.300 1.400 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.34556E-02 ppm1 1.339 ppm2 1.681 CV 1 OR { 1696} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 97 and name HB2 )) ASSI { 1701} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 99 and name HA2 )) 3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.21465E-02 ppm1 0.817 ppm2 3.517 CV 1 OR { 1701} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 99 and name HA1 )) OR { 1701} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 99 and name HA2 )) OR { 1701} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 99 and name HA1 )) ASSI { 1706} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 110 and name HA )) 2.900 1.100 1.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.39979E-02 ppm1 0.779 ppm2 4.533 CV 1 OR { 1706} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 110 and name HA )) OR { 1706} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 103 and name HA )) ASSI { 1709} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 86 and name HA )) 3.200 1.300 1.300 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 0.792 ppm2 4.846 CV 1 OR { 1709} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 86 and name HA )) ASSI { 1721} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 102 and name HD1%) 2.600 0.800 0.800 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.55010E-02 ppm1 0.779 ppm2 0.157 CV 1 OR { 1721} ( segid "A " and resid 110 and name HG2%) ( segid "A " and resid 102 and name HD1%) ASSI { 1725} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 57 and name HB2 )) 2.800 1.000 1.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.47553E-02 ppm1 0.665 ppm2 0.274 CV 1 OR { 1725} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 42 and name HD1%) ASSI { 1726} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 42 and name HN )) 3.400 1.400 1.400 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 0.665 ppm2 8.480 CV 1 OR { 1726} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 63 and name HN )) ASSI { 1728} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 112 and name HB2 )) 3.800 1.800 1.800 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 0.817 ppm2 2.657 CV 1 OR { 1728} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 27 and name HB3 )) ASSI { 1730} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 85 and name HA )) 4.600 2.600 1.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.61722E-03 ppm1 0.830 ppm2 5.236 CV 1 OR { 1730} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 24 and name HA )) ASSI { 1749} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 67 and name HA )) 3.200 1.300 1.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 0.843 ppm2 3.712 CV 1 OR { 1749} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 95 and name HA )) ASSI { 1750} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 0.843 ppm2 1.329 CV 1 OR { 1750} ( segid "A " and resid 45 and name HG1%) ( segid "A " and resid 98 and name HB% ) ASSI { 1770} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 86 and name HN )) 3.900 1.900 1.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.20267E-02 ppm1 0.767 ppm2 8.753 CV 1 OR { 1770} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 102 and name HN )) OR { 1770} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 45 and name HN )) ASSI { 1774} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 87 and name HN )) 2.900 1.100 1.100 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.41593E-02 ppm1 0.843 ppm2 9.144 CV 1 OR { 1774} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 43 and name HN )) ASSI { 1779} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 86 and name HN )) 3.400 1.500 1.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 0.843 ppm2 8.753 CV 1 OR { 1779} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 102 and name HN )) OR { 1779} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 45 and name HN )) ASSI { 1783} ( segid "A " and resid 23 and name HG1%) ( segid "A " and resid 30 and name HB% ) 4.000 2.000 2.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 1.072 ppm2 1.642 CV 1 OR { 1783} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 110 and name HB )) ASSI { 1785} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 97 and name HB3 )) 2.700 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.11550E-01 ppm1 0.716 ppm2 1.954 CV 1 OR { 1785} ( segid "A " and resid 97 and name HD2%) (( segid "B " and resid 97 and name HB3 )) ASSI { 1800} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 24 and name HG3 )) 4.600 2.600 1.400 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.73140E-03 ppm1 1.072 ppm2 2.931 CV 1 OR { 1800} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 29 and name HB3 )) ASSI { 1804} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 100 and name HG2 )) 2.600 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.12450E-01 ppm1 0.716 ppm2 1.407 CV 1 OR { 1804} ( segid "A " and resid 97 and name HD2%) ( segid "A " and resid 18 and name HB% ) ASSI { 1805} ( segid "A " and resid 23 and name HG1%) (( segid "A " and resid 25 and name HB3 )) 3.700 1.700 1.700 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 1.072 ppm2 1.837 CV 1 OR { 1805} ( segid "A " and resid 23 and name HG1%) ( segid "A " and resid 24 and name HE% ) ASSI { 1815} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 42 and name HN )) 2.400 0.700 0.700 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.56978E-02 ppm1 0.805 ppm2 8.480 CV 1 OR { 1815} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HN )) ASSI { 1820} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 41 and name HB )) 2.200 0.600 0.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.75090E-02 ppm1 0.805 ppm2 3.634 CV 1 OR { 1820} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 77 and name HB3 )) ASSI { 1821} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 63 and name HG3 )) 2.400 0.700 0.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.69333E-02 ppm1 0.805 ppm2 1.290 CV 1 OR { 1821} ( segid "A " and resid 41 and name HG2%) (( segid "A " and resid 43 and name HG13)) ASSI { 1832} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 79 and name HA )) 4.700 2.700 1.300 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.69057E-03 ppm1 -0.111 ppm2 4.260 CV 1 OR { 1832} ( segid "A " and resid 102 and name HD2%) (( segid "B " and resid 4 and name HA2 )) ASSI { 1833} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 100 and name HG3 )) 3.300 1.400 1.400 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.37147E-02 ppm1 1.161 ppm2 1.524 CV 1 OR { 1833} ( segid "A " and resid 101 and name HG2%) ( segid "B " and resid 13 and name HB% ) ASSI { 1843} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 102 and name HB2 )) 3.100 1.200 1.200 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.56382E-02 ppm1 -0.098 ppm2 0.782 CV 1 OR { 1843} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 110 and name HD1%) OR { 1843} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 85 and name HG2%) ASSI { 1852} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 74 and name HD2%) 2.000 0.500 0.500 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.11503E-01 ppm1 -0.098 ppm2 0.157 CV 1 OR { 1852} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 102 and name HD1%) ASSI { 1861} ( segid "A " and resid 73 and name HD2%) (( segid "A " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.72575E-02 ppm1 0.805 ppm2 1.642 CV 1 OR { 1861} ( segid "A " and resid 73 and name HD2%) (( segid "A " and resid 76 and name HB2 )) ASSI { 1871} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 102 and name HD2%) 1.900 0.400 0.400 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.15532E-01 ppm1 0.143 ppm2 -0.078 CV 1 OR { 1871} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 74 and name HD1%) ASSI { 1882} ( segid "A " and resid 79 and name HD2%) ( segid "A " and resid 102 and name HD1%) 3.000 1.100 1.100 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 0.868 ppm2 0.157 CV 1 OR { 1882} ( segid "A " and resid 79 and name HD2%) ( segid "A " and resid 74 and name HD2%) ASSI { 1887} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HB3 )) 2.100 0.600 0.600 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.94236E-02 ppm1 0.143 ppm2 1.642 CV 1 OR { 1887} ( segid "A " and resid 125 and name HD2%) (( segid "A " and resid 27 and name HB2 )) ASSI { 1902} ( segid "A " and resid 74 and name HD2%) (( segid "B " and resid 9 and name HA )) 3.900 1.900 1.900 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 0.131 ppm2 4.103 CV 1 OR { 1902} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 101 and name HA )) OR { 1902} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 81 and name HD3 )) OR { 1902} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 78 and name HA2 )) ASSI { 1906} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.48156E-02 ppm1 0.143 ppm2 0.547 CV 1 OR { 1906} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 70 and name HD1%) ASSI { 1907} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 41 and name HB )) 2.900 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 0.856 ppm2 3.634 CV 1 OR { 1907} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 77 and name HB2 )) OR { 1907} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 77 and name HB3 )) ASSI { 1913} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 42 and name HG )) 3.300 1.400 1.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.63756E-02 ppm1 0.741 ppm2 1.329 CV 1 OR { 1913} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 42 and name HG )) ASSI { 1919} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 110 and name HB )) 3.800 1.800 1.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 1.046 ppm2 1.642 CV 1 OR { 1919} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 30 and name HB% ) OR { 1919} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 34 and name HB2 )) ASSI { 1922} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 87 and name HA )) 3.400 1.500 1.500 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.37973E-02 ppm1 0.741 ppm2 4.924 CV 1 OR { 1922} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 87 and name HA )) ASSI { 1924} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 43 and name HN )) 3.400 1.400 1.400 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.31688E-02 ppm1 0.741 ppm2 9.144 CV 1 OR { 1924} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 87 and name HN )) ASSI { 1925} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 84 and name HG3 )) 4.200 2.200 1.800 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 0.741 ppm2 2.189 CV 1 OR { 1925} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 84 and name HG3 )) OR { 1925} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 126 and name HG3 )) OR { 1925} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 27 and name HG3 )) OR { 1925} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 36 and name HG2 )) OR { 1925} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 36 and name HG3 )) OR { 1925} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 126 and name HB2 )) ASSI { 1930} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 34 and name HA )) 2.400 0.700 0.700 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.97948E-02 ppm1 0.550 ppm2 3.869 CV 1 OR { 1930} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 33 and name HA )) ASSI { 1939} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 85 and name HG2%) 2.000 0.500 0.500 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.19553E-01 ppm1 1.046 ppm2 0.782 CV 1 OR { 1939} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 41 and name HG2%) ASSI { 1947} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.51435E-02 ppm1 0.538 ppm2 -0.078 CV 1 OR { 1947} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 102 and name HD2%) ASSI { 1952} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 48 and name HB3 )) 3.600 1.600 1.600 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 0.232 ppm2 2.618 CV 1 OR { 1952} ( segid "A " and resid 51 and name HD2%) (( segid "A " and resid 56 and name HE3 )) ASSI { 1956} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HB2 )) 1.900 0.500 0.500 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.550 ppm2 1.446 CV 1 OR { 1956} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 33 and name HB2 )) ASSI { 1957} ( segid "A " and resid 86 and name HG1%) ( segid "A " and resid 30 and name HB% ) 2.300 0.700 0.700 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.73679E-02 ppm1 0.754 ppm2 1.642 CV 1 OR { 1957} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 34 and name HB2 )) ASSI { 1958} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HB3 )) 2.600 0.900 0.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12627E-01 ppm1 0.538 ppm2 1.642 CV 1 OR { 1958} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 30 and name HB% ) OR { 1958} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 74 and name HB3 )) ASSI { 1960} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 84 and name HA )) 4.400 2.400 1.600 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.79249E-03 ppm1 0.767 ppm2 5.080 CV 1 OR { 1960} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 25 and name HA )) OR { 1960} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 84 and name HA )) ASSI { 1964} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 40 and name HB )) 2.500 0.800 0.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.10862E-01 ppm1 0.754 ppm2 1.837 CV 1 OR { 1964} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 40 and name HB )) OR { 1964} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 25 and name HB3 )) ASSI { 1965} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 14 and name HA )) 3.400 1.500 1.500 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.25299E-02 ppm1 0.436 ppm2 4.064 CV 1 OR { 1965} ( segid "A " and resid 15 and name HG2%) (( segid "B " and resid 69 and name HA )) OR { 1965} ( segid "A " and resid 15 and name HG2%) (( segid "B " and resid 101 and name HA )) ASSI { 1978} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 18 and name HB% ) 3.000 1.100 1.100 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 0.436 ppm2 1.446 CV 1 OR { 1978} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 96 and name HB% ) OR { 1978} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 17 and name HB% ) OR { 1978} ( segid "A " and resid 15 and name HG2%) (( segid "B " and resid 70 and name HB2 )) ASSI { 1997} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 48 and name HA )) 2.800 1.000 1.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.31482E-02 ppm1 0.334 ppm2 4.142 CV 1 OR { 1997} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 46 and name HA )) ASSI { 2013} ( segid "A " and resid 74 and name HD1%) ( segid "A " and resid 74 and name HD2%) 2.300 0.700 0.700 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.61657E-02 ppm1 -0.086 ppm2 0.157 CV 1 OR { 2013} ( segid "A " and resid 74 and name HD1%) ( segid "A " and resid 102 and name HD1%) ASSI { 2022} ( segid "A " and resid 97 and name HD1%) (( segid "A " and resid 100 and name HG2 )) 3.100 1.200 1.200 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.27156E-02 ppm1 1.008 ppm2 1.407 CV 1 OR { 2022} ( segid "A " and resid 97 and name HD1%) ( segid "B " and resid 18 and name HB% ) ASSI { 2028} ( segid "A " and resid 97 and name HD1%) ( segid "B " and resid 11 and name HE% ) 3.300 1.400 1.400 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.36727E-02 ppm1 0.996 ppm2 7.190 CV 1 OR { 2028} ( segid "A " and resid 97 and name HD1%) (( segid "A " and resid 97 and name HN )) ASSI { 2030} (( segid "A " and resid 6 and name HG2 )) (( segid "A " and resid 6 and name HE3 )) 2.100 0.500 0.500 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.96091E-02 ppm1 1.364 ppm2 2.931 CV 1 OR { 2030} (( segid "A " and resid 6 and name HG2 )) (( segid "A " and resid 6 and name HE2 )) OR { 2030} (( segid "A " and resid 83 and name HG2 )) (( segid "A " and resid 80 and name HB3 )) ASSI { 2046} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.25857E-02 ppm1 -0.086 ppm2 0.547 CV 1 OR { 2046} ( segid "A " and resid 74 and name HD1%) ( segid "A " and resid 70 and name HD1%) ASSI { 2064} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 27 and name HG2 )) 3.700 1.800 1.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.13880E-02 ppm1 -0.226 ppm2 1.993 CV 1 OR { 2064} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 126 and name HG2 )) ASSI { 2092} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 62 and name HA )) 3.900 1.900 1.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 0.372 ppm2 4.885 CV 1 OR { 2092} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 87 and name HA )) ASSI { 2095} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 57 and name HB3 )) 3.200 1.300 1.300 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.30814E-02 ppm1 0.372 ppm2 0.782 CV 1 OR { 2095} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 34 and name HD2%) OR { 2095} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 86 and name HG1%) ASSI { 2099} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 128 and name HG )) 2.000 0.500 0.500 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.12775E-01 ppm1 0.639 ppm2 1.173 CV 1 OR { 2099} ( segid "A " and resid 128 and name HD1%) (( segid "A " and resid 56 and name HD3 )) ASSI { 2108} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 31 and name HB3 )) 4.600 2.600 1.400 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 0.360 ppm2 2.892 CV 1 OR { 2108} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 111 and name HB2 )) ASSI { 2114} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 0.245 ppm2 6.956 CV 1 OR { 2114} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 111 and name HD% ) ASSI { 2119} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 43 and name HN )) 3.500 1.500 1.500 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.85571E-03 ppm1 0.245 ppm2 9.144 CV 1 OR { 2119} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 87 and name HN )) ASSI { 2130} ( segid "A " and resid 79 and name HD1%) (( segid "A " and resid 74 and name HB3 )) 3.300 1.400 1.400 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.44035E-02 ppm1 0.728 ppm2 1.642 CV 1 OR { 2130} ( segid "A " and resid 79 and name HD1%) ( segid "A " and resid 75 and name HB% ) ASSI { 2137} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 86 and name HB )) 3.900 1.900 1.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 0.258 ppm2 1.876 CV 1 OR { 2137} ( segid "A " and resid 42 and name HD1%) (( segid "A " and resid 34 and name HB3 )) ASSI { 2142} ( segid "A " and resid 79 and name HD1%) (( segid "A " and resid 77 and name HA )) 4.300 2.400 1.700 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 0.728 ppm2 4.103 CV 1 OR { 2142} ( segid "A " and resid 79 and name HD1%) (( segid "A " and resid 78 and name HA2 )) ASSI { 2150} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 59 and name HG2%) 3.300 1.400 1.400 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.61359E-02 ppm1 0.258 ppm2 0.704 CV 1 OR { 2150} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 40 and name HG2%) ASSI { 2153} ( segid "A " and resid 79 and name HD1%) ( segid "A " and resid 102 and name HD1%) 3.200 1.200 1.200 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.33367E-02 ppm1 0.728 ppm2 0.157 CV 1 OR { 2153} ( segid "A " and resid 79 and name HD1%) ( segid "A " and resid 74 and name HD2%) ASSI { 2162} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 102 and name HD2%) 2.300 0.700 0.700 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.62196E-02 ppm1 0.156 ppm2 -0.078 CV 1 OR { 2162} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 74 and name HD1%) ASSI { 2169} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 110 and name HD1%) 2.000 0.500 0.500 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.12627E-01 ppm1 0.156 ppm2 0.782 CV 1 OR { 2169} ( segid "A " and resid 102 and name HD1%) (( segid "A " and resid 102 and name HB2 )) ASSI { 2173} ( segid "A " and resid 70 and name HD2%) ( segid "A " and resid 74 and name HD1%) 3.600 1.600 1.600 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.42985E-02 ppm1 0.639 ppm2 -0.078 CV 1 OR { 2173} ( segid "A " and resid 70 and name HD2%) ( segid "A " and resid 102 and name HD2%) ASSI { 2174} ( segid "A " and resid 121 and name HD1%) ( segid "A " and resid 54 and name HE% ) 2.600 0.900 0.900 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.40358E-02 ppm1 1.008 ppm2 1.485 CV 1 OR { 2174} ( segid "A " and resid 121 and name HD1%) (( segid "A " and resid 121 and name HB2 )) ASSI { 2205} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 70 and name HB3 )) 2.000 0.500 0.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.92842E-02 ppm1 0.639 ppm2 1.642 CV 1 OR { 2205} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 76 and name HB2 )) ASSI { 2227} (( segid "A " and resid 103 and name HG2 )) (( segid "A " and resid 103 and name HD3 )) 2.900 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.30137E-02 ppm1 1.720 ppm2 3.361 CV 1 OR { 2227} (( segid "A " and resid 40 and name HG13)) (( segid "A " and resid 84 and name HD2 )) ASSI { 2231} (( segid "A " and resid 125 and name HG )) (( segid "A " and resid 27 and name HG3 )) 4.000 2.000 2.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 0.652 ppm2 2.228 CV 1 OR { 2231} (( segid "A " and resid 125 and name HG )) (( segid "A " and resid 126 and name HB2 )) ASSI { 2246} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 65 and name HA )) 3.000 1.100 1.100 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.23545E-02 ppm1 0.652 ppm2 3.791 CV 1 OR { 2246} (( segid "A " and resid 125 and name HG )) (( segid "A " and resid 120 and name HA )) ASSI { 2250} (( segid "A " and resid 110 and name HG12)) ( segid "A " and resid 110 and name HG2%) 2.200 0.600 0.600 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.76939E-02 ppm1 1.301 ppm2 0.782 CV 1 OR { 2250} (( segid "A " and resid 110 and name HG12)) ( segid "A " and resid 110 and name HD1%) OR { 2250} (( segid "A " and resid 43 and name HG13)) ( segid "A " and resid 41 and name HG2%) ASSI { 2268} ( segid "A " and resid 34 and name HD1%) (( segid "A " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.44490E-02 ppm1 0.932 ppm2 1.642 CV 1 OR { 2268} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 30 and name HB% ) ASSI { 2278} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 34 and name HD2%) 2.200 0.600 0.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.96928E-02 ppm1 0.932 ppm2 0.782 CV 1 OR { 2278} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 86 and name HG1%) ASSI { 2355} (( segid "A " and resid 32 and name HD2 )) (( segid "A " and resid 32 and name HE3 )) 1.700 0.400 0.500 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.40935E-01 ppm1 1.657 ppm2 2.970 CV 1 OR { 2355} (( segid "A " and resid 16 and name HD3 )) (( segid "A " and resid 16 and name HE2 )) OR { 2355} (( segid "A " and resid 60 and name HD2 )) (( segid "A " and resid 60 and name HE3 )) OR { 2355} (( segid "A " and resid 16 and name HD2 )) (( segid "A " and resid 16 and name HE3 )) OR { 2355} (( segid "A " and resid 32 and name HD2 )) (( segid "A " and resid 32 and name HE2 )) OR { 2355} (( segid "A " and resid 32 and name HD3 )) (( segid "A " and resid 32 and name HE3 )) OR { 2355} (( segid "A " and resid 32 and name HD3 )) (( segid "A " and resid 32 and name HE2 )) OR { 2355} (( segid "A " and resid 16 and name HD2 )) (( segid "A " and resid 16 and name HE2 )) OR { 2355} (( segid "A " and resid 16 and name HD3 )) (( segid "A " and resid 16 and name HE3 )) OR { 2355} (( segid "A " and resid 60 and name HD2 )) (( segid "A " and resid 60 and name HE2 )) ASSI { 2370} (( segid "A " and resid 5 and name HB3 )) (( segid "A " and resid 6 and name HE3 )) 3.400 1.400 1.400 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.051 ppm2 2.931 CV 1 OR { 2370} (( segid "A " and resid 5 and name HB3 )) (( segid "A " and resid 6 and name HE2 )) OR { 2370} (( segid "A " and resid 5 and name HB2 )) (( segid "A " and resid 6 and name HE3 )) OR { 2370} (( segid "A " and resid 5 and name HB2 )) (( segid "A " and resid 6 and name HE2 )) OR { 2370} (( segid "A " and resid 123 and name HB3 )) (( segid "A " and resid 28 and name HE2 )) ASSI { 2374} (( segid "A " and resid 56 and name HD3 )) ( segid "A " and resid 51 and name HD1%) 4.800 2.800 1.200 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.75361E-03 ppm1 1.186 ppm2 0.352 CV 1 OR { 2374} (( segid "A " and resid 56 and name HD3 )) ( segid "A " and resid 42 and name HD2%) ASSI { 2401} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 119 and name HB2 )) 3.700 1.700 1.700 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 2.624 ppm2 1.837 CV 1 OR { 2401} (( segid "A " and resid 27 and name HB3 )) (( segid "A " and resid 25 and name HB3 )) ASSI { 2486} (( segid "A " and resid 52 and name HB2 )) (( segid "A " and resid 52 and name HE3 )) 3.900 1.900 1.900 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.22941E-02 ppm1 1.822 ppm2 2.931 CV 1 OR { 2486} (( segid "A " and resid 52 and name HB3 )) (( segid "A " and resid 52 and name HE3 )) OR { 2486} (( segid "A " and resid 16 and name HB3 )) (( segid "A " and resid 16 and name HE2 )) OR { 2486} (( segid "A " and resid 16 and name HB3 )) (( segid "A " and resid 16 and name HE3 )) OR { 2486} (( segid "A " and resid 16 and name HB2 )) (( segid "A " and resid 16 and name HE3 )) OR { 2486} (( segid "A " and resid 52 and name HB3 )) (( segid "A " and resid 52 and name HE2 )) OR { 2486} (( segid "A " and resid 52 and name HB2 )) (( segid "A " and resid 52 and name HE2 )) ASSI { 2509} (( segid "A " and resid 54 and name HG2 )) ( segid "A " and resid 54 and name HE% ) 3.000 1.100 1.100 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 2.522 ppm2 1.485 CV 1 OR { 2509} (( segid "A " and resid 54 and name HG2 )) ( segid "A " and resid 53 and name HB% ) ASSI { 2513} (( segid "A " and resid 54 and name HG3 )) ( segid "A " and resid 53 and name HB% ) 3.200 1.300 1.300 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 2.776 ppm2 1.485 CV 1 OR { 2513} (( segid "A " and resid 54 and name HG3 )) ( segid "A " and resid 54 and name HE% ) ASSI { 2521} (( segid "A " and resid 87 and name HB )) (( segid "A " and resid 87 and name HN )) 3.900 1.900 1.900 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.87169E-03 ppm1 1.848 ppm2 9.144 CV 1 OR { 2521} (( segid "A " and resid 87 and name HB )) (( segid "A " and resid 43 and name HN )) ASSI { 2554} (( segid "A " and resid 108 and name HB2 )) (( segid "A " and resid 82 and name HA )) 3.200 1.200 1.200 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 1.810 ppm2 4.142 CV 1 OR { 2554} (( segid "A " and resid 108 and name HB3 )) (( segid "A " and resid 84 and name HD3 )) OR { 2554} (( segid "A " and resid 108 and name HB2 )) (( segid "A " and resid 84 and name HD3 )) ASSI { 2557} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 85 and name HG2%) 2.600 0.900 0.900 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.30194E-02 ppm1 1.962 ppm2 0.782 CV 1 OR { 2557} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 86 and name HG1%) ASSI { 2559} (( segid "A " and resid 114 and name HG3 )) (( segid "A " and resid 114 and name HB2 )) 2.200 0.600 0.600 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.54750E-02 ppm1 2.204 ppm2 1.837 CV 1 OR { 2559} (( segid "A " and resid 114 and name HG3 )) ( segid "A " and resid 24 and name HE% ) ASSI { 2580} (( segid "A " and resid 61 and name HB2 )) (( segid "A " and resid 60 and name HB3 )) 4.000 2.000 2.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.66000E-03 ppm1 2.751 ppm2 1.837 CV 1 OR { 2580} (( segid "A " and resid 61 and name HB2 )) (( segid "A " and resid 60 and name HB2 )) OR { 2580} (( segid "A " and resid 61 and name HB2 )) (( segid "A " and resid 40 and name HB )) ASSI { 2611} (( segid "A " and resid 40 and name HB )) ( segid "A " and resid 40 and name HD1%) 2.700 0.900 0.900 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.35633E-02 ppm1 1.822 ppm2 0.782 CV 1 OR { 2611} (( segid "A " and resid 40 and name HB )) ( segid "A " and resid 34 and name HD2%) ASSI { 2612} (( segid "A " and resid 49 and name HB3 )) (( segid "A " and resid 49 and name HA )) 3.200 1.300 1.300 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 2.738 ppm2 4.299 CV 1 OR { 2612} (( segid "A " and resid 49 and name HB3 )) (( segid "B " and resid 49 and name HA )) ASSI { 2613} (( segid "A " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HA )) 3.400 1.500 1.500 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 2.624 ppm2 4.299 CV 1 OR { 2613} (( segid "A " and resid 49 and name HB2 )) (( segid "B " and resid 49 and name HA )) ASSI { 2630} (( segid "A " and resid 58 and name HB2 )) (( segid "A " and resid 58 and name HA )) 3.000 1.100 1.100 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 1.771 ppm2 4.416 CV 1 OR { 2630} (( segid "A " and resid 58 and name HB2 )) (( segid "A " and resid 126 and name HA )) ASSI { 2633} (( segid "A " and resid 129 and name HB3 )) (( segid "A " and resid 129 and name HA )) 2.700 0.900 0.900 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.48232E-02 ppm1 2.776 ppm2 4.377 CV 1 OR { 2633} (( segid "A " and resid 58 and name HB3 )) (( segid "A " and resid 126 and name HA )) ASSI { 2678} (( segid "A " and resid 21 and name HB2 )) (( segid "A " and resid 100 and name HA )) 3.600 1.600 1.600 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 2.496 ppm2 4.103 CV 1 OR { 2678} (( segid "A " and resid 21 and name HB2 )) (( segid "A " and resid 18 and name HA )) ASSI { 2682} (( segid "A " and resid 51 and name HB3 )) (( segid "A " and resid 56 and name HG2 )) 3.400 1.400 1.400 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 1.479 ppm2 0.977 CV 1 OR { 2682} (( segid "A " and resid 121 and name HB2 )) ( segid "A " and resid 121 and name HD2%) ASSI { 2684} (( segid "A " and resid 42 and name HB2 )) ( segid "A " and resid 42 and name HD1%) 2.700 0.900 0.900 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 1.479 ppm2 0.235 CV 1 OR { 2684} (( segid "A " and resid 51 and name HB3 )) ( segid "A " and resid 51 and name HD2%) ASSI { 2709} (( segid "A " and resid 103 and name HD2 )) (( segid "A " and resid 103 and name HG3 )) 2.500 0.800 0.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.55965E-02 ppm1 3.272 ppm2 1.915 CV 1 OR { 2709} (( segid "A " and resid 103 and name HD2 )) (( segid "A " and resid 100 and name HB2 )) ASSI { 2792} (( segid "A " and resid 57 and name HD2 )) (( segid "A " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.82249E-03 ppm1 3.209 ppm2 1.173 CV 1 OR { 2792} (( segid "A " and resid 57 and name HD3 )) (( segid "A " and resid 57 and name HG3 )) OR { 2792} (( segid "A " and resid 57 and name HD2 )) (( segid "A " and resid 57 and name HG3 )) OR { 2792} (( segid "A " and resid 57 and name HD3 )) (( segid "A " and resid 56 and name HB2 )) ASSI { 2861} (( segid "A " and resid 112 and name HA )) ( segid "A " and resid 86 and name HG2%) 2.900 1.000 1.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.31158E-02 ppm1 5.396 ppm2 0.821 CV 1 OR { 2861} (( segid "A " and resid 112 and name HA )) ( segid "A " and resid 87 and name HG1%) ASSI { 2875} (( segid "A " and resid 24 and name HA )) ( segid "A " and resid 24 and name HE% ) 2.900 1.000 1.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.25197E-02 ppm1 5.205 ppm2 1.837 CV 1 OR { 2875} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 114 and name HB2 )) OR { 2875} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 25 and name HB3 )) ASSI { 2881} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.62743E-03 ppm1 5.231 ppm2 2.657 CV 1 OR { 2881} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 112 and name HB2 )) ASSI { 2894} (( segid "A " and resid 56 and name HA )) ( segid "A " and resid 51 and name HD2%) 4.700 2.800 1.300 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.89314E-03 ppm1 4.480 ppm2 0.235 CV 1 OR { 2894} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 57 and name HB2 )) ASSI { 2895} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 4.468 ppm2 1.173 CV 1 OR { 2895} (( segid "A " and resid 56 and name HA )) (( segid "A " and resid 57 and name HG3 )) ASSI { 2917} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 98 and name HN )) 3.100 1.200 1.200 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.12571E-02 ppm1 4.430 ppm2 8.870 CV 1 OR { 2917} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 99 and name HN )) ASSI { 2924} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 55 and name HA2 )) 3.500 1.500 1.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 4.671 ppm2 4.299 CV 1 OR { 2924} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 121 and name HA )) ASSI { 2927} (( segid "A " and resid 18 and name HA )) ( segid "A " and resid 15 and name HG1%) 4.100 2.100 1.900 peak 2927 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 4.112 ppm2 0.782 CV 1 OR { 2927} (( segid "A " and resid 18 and name HA )) ( segid "A " and resid 87 and name HG2%) ASSI { 2929} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 86 and name HG2%) 4.200 2.200 1.800 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.82341E-03 ppm1 5.040 ppm2 0.821 CV 1 OR { 2929} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 41 and name HG2%) OR { 2929} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 87 and name HG1%) ASSI { 2941} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 4.099 ppm2 2.501 CV 1 OR { 2941} (( segid "A " and resid 18 and name HA )) (( segid "A " and resid 22 and name HG2 )) OR { 2941} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 21 and name HB2 )) ASSI { 2943} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 98 and name HN )) 3.300 1.400 1.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.82119E-03 ppm1 3.705 ppm2 8.870 CV 1 OR { 2943} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 99 and name HN )) ASSI { 2952} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.71248E-02 ppm1 4.099 ppm2 1.837 CV 1 OR { 2952} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 16 and name HB3 )) OR { 2952} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 16 and name HB3 )) OR { 2952} (( segid "A " and resid 13 and name HA )) (( segid "A " and resid 12 and name HB3 )) OR { 2952} (( segid "A " and resid 17 and name HA )) (( segid "A " and resid 16 and name HB2 )) ASSI { 2959} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 63 and name HE2 )) 4.500 2.500 1.500 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.92536E-03 ppm1 4.239 ppm2 3.009 CV 1 OR { 2959} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HE3 )) OR { 2959} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HE2 )) ASSI { 2970} (( segid "A " and resid 111 and name HA )) ( segid "A " and resid 23 and name HG2%) 3.700 1.700 1.700 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.21874E-02 ppm1 5.765 ppm2 0.821 CV 1 OR { 2970} (( segid "A " and resid 111 and name HA )) ( segid "A " and resid 86 and name HG2%) ASSI { 2972} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 34 and name HD1%) 3.800 1.800 1.800 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 3.946 ppm2 0.938 CV 1 OR { 2972} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 25 and name HD2%) ASSI { 2974} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 33 and name HD1%) 2.500 0.800 0.800 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.30378E-02 ppm1 3.946 ppm2 0.587 CV 1 OR { 2974} (( segid "A " and resid 30 and name HA )) ( segid "A " and resid 25 and name HD1%) ASSI { 3005} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.40060E-02 ppm1 4.290 ppm2 2.657 CV 1 OR { 3005} (( segid "A " and resid 49 and name HA )) (( segid "B " and resid 49 and name HB2 )) ASSI { 3017} (( segid "A " and resid 36 and name HA )) (( segid "A " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.10723E-01 ppm1 4.124 ppm2 1.915 CV 1 OR { 3017} (( segid "A " and resid 82 and name HA )) (( segid "A " and resid 82 and name HB2 )) ASSI { 3025} (( segid "A " and resid 26 and name HA )) (( segid "A " and resid 114 and name HB2 )) 3.500 1.600 1.600 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 4.709 ppm2 1.798 CV 1 OR { 3025} (( segid "A " and resid 26 and name HA )) ( segid "A " and resid 24 and name HE% ) ASSI { 3039} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 63 and name HN )) 2.400 0.700 0.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.34361E-02 ppm1 4.849 ppm2 8.480 CV 1 OR { 3039} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 42 and name HN )) ASSI { 3057} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 58 and name HA )) 4.000 2.000 2.000 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.88006E-03 ppm1 5.129 ppm2 4.377 CV 1 OR { 3057} (( segid "A " and resid 127 and name HA )) (( segid "A " and resid 126 and name HA )) ASSI { 3081} (( segid "A " and resid 33 and name HA )) (( segid "A " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.52288E-02 ppm1 3.883 ppm2 1.446 CV 1 OR { 3081} (( segid "A " and resid 97 and name HA )) ( segid "A " and resid 96 and name HB% ) OR { 3081} (( segid "A " and resid 35 and name HA )) (( segid "A " and resid 60 and name HG2 )) ASSI { 3084} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 40 and name HB )) 1.900 0.500 0.500 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.20490E-01 ppm1 3.857 ppm2 1.837 CV 1 OR { 3084} (( segid "A " and resid 35 and name HA )) (( segid "A " and resid 35 and name HB2 )) OR { 3084} (( segid "A " and resid 114 and name HA )) (( segid "A " and resid 114 and name HB2 )) OR { 3084} (( segid "A " and resid 114 and name HA )) ( segid "A " and resid 24 and name HE% ) ASSI { 3092} (( segid "A " and resid 114 and name HA )) (( segid "A " and resid 24 and name HB3 )) 3.600 1.700 1.700 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.28883E-02 ppm1 3.845 ppm2 2.189 CV 1 OR { 3092} (( segid "A " and resid 35 and name HA )) (( segid "A " and resid 36 and name HG2 )) OR { 3092} (( segid "A " and resid 114 and name HA )) (( segid "A " and resid 24 and name HB2 )) ASSI { 3105} (( segid "A " and resid 85 and name HA )) ( segid "A " and resid 85 and name HG2%) 3.200 1.200 1.200 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 5.256 ppm2 0.782 CV 1 OR { 3105} (( segid "A " and resid 85 and name HA )) ( segid "A " and resid 86 and name HG1%) OR { 3105} (( segid "A " and resid 85 and name HA )) ( segid "A " and resid 40 and name HD1%) ASSI { 3108} (( segid "A " and resid 7 and name HA )) ( segid "A " and resid 7 and name HD% ) 3.400 1.400 1.400 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.33264E-02 ppm1 4.976 ppm2 7.464 CV 1 OR { 3108} (( segid "A " and resid 7 and name HA )) ( segid "B " and resid 105 and name HD% ) ASSI { 3117} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 65 and name HA )) 4.200 2.200 1.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.96186E-03 ppm1 3.501 ppm2 3.791 CV 1 OR { 3117} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 102 and name HA )) ASSI { 3119} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 50 and name HA )) 3.700 1.700 1.700 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 3.794 ppm2 4.142 CV 1 OR { 3119} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 48 and name HA )) ASSI { 3120} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 74 and name HG )) 3.300 1.300 1.300 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.97856E-03 ppm1 3.476 ppm2 1.524 CV 1 OR { 3120} (( segid "A " and resid 74 and name HA )) (( segid "A " and resid 63 and name HD2 )) ASSI { 3133} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 55 and name HA2 )) 3.300 1.300 1.300 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.55984E-02 ppm1 3.794 ppm2 4.338 CV 1 OR { 3133} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 105 and name HA )) ASSI { 3142} (( segid "A " and resid 5 and name HA )) (( segid "A " and resid 8 and name HB3 )) 2.300 0.700 0.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.59689E-02 ppm1 4.175 ppm2 2.892 CV 1 OR { 3142} (( segid "A " and resid 5 and name HA )) (( segid "A " and resid 8 and name HB2 )) OR { 3142} (( segid "A " and resid 6 and name HA )) (( segid "A " and resid 6 and name HE2 )) ASSI { 3151} (( segid "A " and resid 50 and name HA )) (( segid "B " and resid 49 and name HB2 )) 2.600 0.800 0.800 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.42438E-02 ppm1 4.124 ppm2 2.657 CV 1 OR { 3151} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 49 and name HB2 )) ASSI { 3159} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 4.684 ppm2 0.782 CV 1 OR { 3159} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 110 and name HD1%) OR { 3159} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 110 and name HG2%) ASSI { 3160} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 43 and name HG13)) 2.700 0.900 0.900 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.85062E-03 ppm1 4.379 ppm2 1.290 CV 1 OR { 3160} (( segid "A " and resid 43 and name HA )) (( segid "A " and resid 42 and name HG )) ASSI { 3184} (( segid "A " and resid 110 and name HA )) ( segid "A " and resid 110 and name HD1%) 2.700 0.900 0.900 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.63271E-02 ppm1 4.531 ppm2 0.782 CV 1 OR { 3184} (( segid "A " and resid 110 and name HA )) ( segid "A " and resid 85 and name HG2%) OR { 3184} (( segid "A " and resid 110 and name HA )) ( segid "A " and resid 110 and name HG2%) OR { 3184} (( segid "A " and resid 103 and name HA )) ( segid "A " and resid 110 and name HD1%) OR { 3184} (( segid "A " and resid 103 and name HA )) ( segid "A " and resid 110 and name HG2%) ASSI { 3213} (( segid "A " and resid 87 and name HA )) ( segid "A " and resid 87 and name HG2%) 3.400 1.400 1.400 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 4.900 ppm2 0.782 CV 1 OR { 3213} (( segid "A " and resid 87 and name HA )) ( segid "A " and resid 86 and name HG1%) ASSI { 3219} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 76 and name HB2 )) 3.200 1.200 1.200 peak 3219 spectrum 1 weight 0.10000E+01 volume 0.18058E-02 ppm1 4.073 ppm2 1.642 CV 1 OR { 3219} (( segid "A " and resid 77 and name HA )) ( segid "A " and resid 75 and name HB% ) ASSI { 3220} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 63 and name HB3 )) 3.500 1.600 1.600 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 4.086 ppm2 1.407 CV 1 OR { 3220} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 79 and name HG )) ASSI { 3221} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 43 and name HN )) 3.000 1.200 1.200 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.85674E-03 ppm1 4.913 ppm2 9.144 CV 1 OR { 3221} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 87 and name HN )) ASSI { 3241} (( segid "A " and resid 84 and name HA )) ( segid "A " and resid 85 and name HG2%) 3.700 1.700 1.700 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 5.078 ppm2 0.782 CV 1 OR { 3241} (( segid "A " and resid 84 and name HA )) ( segid "A " and resid 40 and name HD1%) ASSI { 3243} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 83 and name HA )) 3.900 1.900 1.900 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.12144E-02 ppm1 4.302 ppm2 4.846 CV 1 OR { 3243} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 86 and name HA )) ASSI { 3244} (( segid "A " and resid 71 and name HA )) ( segid "A " and resid 74 and name HD1%) 3.900 1.900 1.900 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.15486E-02 ppm1 3.310 ppm2 -0.078 CV 1 OR { 3244} (( segid "A " and resid 71 and name HA )) ( segid "A " and resid 102 and name HD2%) ASSI { 3246} (( segid "A " and resid 84 and name HA )) (( segid "A " and resid 109 and name HA )) 4.200 2.200 1.800 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.75239E-03 ppm1 5.091 ppm2 4.299 CV 1 OR { 3246} (( segid "A " and resid 84 and name HA )) (( segid "A " and resid 108 and name HA )) ASSI { 3248} (( segid "A " and resid 26 and name HB2 )) (( segid "A " and resid 27 and name HB2 )) 4.000 2.000 2.000 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.99248E-03 ppm1 4.086 ppm2 1.642 CV 1 OR { 3248} (( segid "A " and resid 26 and name HB2 )) ( segid "A " and resid 30 and name HB% ) ASSI { 3255} (( segid "A " and resid 41 and name HA )) ( segid "A " and resid 41 and name HG2%) 2.000 0.500 0.500 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.11531E-01 ppm1 4.252 ppm2 0.821 CV 1 OR { 3255} (( segid "A " and resid 23 and name HA )) ( segid "A " and resid 23 and name HG2%) ASSI { 3271} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 120 and name HH2 )) 3.300 1.300 1.300 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.16842E-02 ppm1 4.099 ppm2 6.838 CV 1 OR { 3271} (( segid "A " and resid 31 and name HA )) ( segid "A " and resid 31 and name HE% ) ASSI { 3306} (( segid "A " and resid 81 and name HA )) ( segid "A " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 3.539 ppm2 7.581 CV 1 OR { 3306} (( segid "A " and resid 81 and name HA )) ( segid "B " and resid 7 and name HE% ) ASSI { 3314} (( segid "A " and resid 77 and name HB2 )) (( segid "A " and resid 79 and name HA )) 4.200 2.200 1.800 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 3.654 ppm2 4.260 CV 1 OR { 3314} (( segid "A " and resid 77 and name HB3 )) (( segid "A " and resid 79 and name HA )) OR { 3314} (( segid "A " and resid 77 and name HB3 )) (( segid "A " and resid 63 and name HA )) OR { 3314} (( segid "A " and resid 77 and name HB2 )) (( segid "A " and resid 63 and name HA )) ASSI { 3329} (( segid "A " and resid 27 and name HA )) ( segid "A " and resid 30 and name HB% ) 2.600 0.800 0.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.45278E-02 ppm1 4.557 ppm2 1.642 CV 1 OR { 3329} (( segid "A " and resid 27 and name HA )) (( segid "A " and resid 27 and name HB2 )) ASSI { 3344} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 18 and name HB% ) 2.800 1.000 1.000 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 3.259 ppm2 1.407 CV 1 OR { 3344} (( segid "A " and resid 15 and name HA )) ( segid "A " and resid 17 and name HB% ) ASSI { 3362} (( segid "A " and resid 41 and name HB )) (( segid "A " and resid 43 and name HG13)) 4.300 2.300 1.700 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.65388E-03 ppm1 3.616 ppm2 1.290 CV 1 OR { 3362} (( segid "A " and resid 41 and name HB )) (( segid "A " and resid 63 and name HG3 )) ASSI { 3365} (( segid "A " and resid 41 and name HB )) (( segid "A " and resid 79 and name HA )) 4.200 2.200 1.800 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 3.616 ppm2 4.260 CV 1 OR { 3365} (( segid "A " and resid 41 and name HB )) (( segid "A " and resid 63 and name HA )) ASSI { 1537} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 19 and name HA )) 2.600 0.800 0.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.74925E-02 ppm1 1.810 ppm2 3.830 CV 1 OR { 1537} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 96 and name HA )) ASSI { 1550} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 34 and name HA )) 4.200 2.200 1.800 peak 1550 spectrum 1 weight 0.10000E+01 volume 0.10500E-02 ppm1 0.779 ppm2 3.869 CV 1 OR { 1550} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 33 and name HA )) ASSI { 1551} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 40 and name HG13)) 2.500 0.800 0.800 peak 1551 spectrum 1 weight 0.10000E+01 volume 0.43924E-02 ppm1 0.779 ppm2 1.720 CV 1 OR { 1551} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 33 and name HB3 )) ASSI { 1553} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 85 and name HA )) 4.600 2.600 1.400 peak 1553 spectrum 1 weight 0.10000E+01 volume 0.85907E-03 ppm1 0.767 ppm2 5.275 CV 1 OR { 1553} ( segid "B " and resid 40 and name HD1%) (( segid "B " and resid 37 and name HA )) ASSI { 1556} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 41 and name HB )) 3.800 1.800 1.800 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.14771E-02 ppm1 0.449 ppm2 3.634 CV 1 OR { 1556} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 77 and name HB2 )) OR { 1556} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 77 and name HB3 )) ASSI { 1563} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 86 and name HN )) 3.600 1.600 1.600 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.11373E-02 ppm1 0.449 ppm2 8.753 CV 1 OR { 1563} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 102 and name HN )) ASSI { 1566} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 85 and name HG2%) 2.400 0.700 0.700 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.15208E-01 ppm1 0.449 ppm2 0.782 CV 1 OR { 1566} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 41 and name HG2%) OR { 1566} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 110 and name HD1%) ASSI { 1581} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 103 and name HG3 )) 3.200 1.300 1.300 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.39467E-02 ppm1 0.754 ppm2 1.915 CV 1 OR { 1581} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 22 and name HB2 )) ASSI { 1607} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 26 and name HA )) 3.100 1.200 1.200 peak 1607 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 1.606 ppm2 4.728 CV 1 OR { 1607} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 113 and name HA )) ASSI { 1627} ( segid "B " and resid 43 and name HG2%) ( segid "B " and resid 45 and name HG1%) 2.400 0.700 0.700 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.89481E-02 ppm1 0.474 ppm2 0.860 CV 1 OR { 1627} ( segid "B " and resid 43 and name HG2%) ( segid "B " and resid 87 and name HG1%) ASSI { 1629} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 64 and name HA )) 4.100 2.100 1.900 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.62334E-03 ppm1 0.474 ppm2 5.041 CV 1 OR { 1629} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 42 and name HA )) ASSI { 1634} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 21 and name HB3 )) 3.900 1.900 1.900 peak 1634 spectrum 1 weight 0.10000E+01 volume 0.98414E-03 ppm1 1.479 ppm2 2.931 CV 1 OR { 1634} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 24 and name HG3 )) ASSI { 1641} ( segid "B " and resid 45 and name HG2%) ( segid "B " and resid 98 and name HB% ) 3.100 1.200 1.200 peak 1641 spectrum 1 weight 0.10000E+01 volume 0.25262E-02 ppm1 0.678 ppm2 1.329 CV 1 OR { 1641} ( segid "B " and resid 45 and name HG2%) (( segid "B " and resid 65 and name HB2 )) ASSI { 1647} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 89 and name HA )) 4.200 2.200 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.85712E-03 ppm1 1.123 ppm2 4.924 CV 1 OR { 1647} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 87 and name HA )) ASSI { 1651} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 12 and name HB3 )) 2.800 1.000 1.000 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.76103E-02 ppm1 1.530 ppm2 1.837 CV 1 OR { 1651} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 16 and name HB2 )) OR { 1651} ( segid "B " and resid 13 and name HB% ) (( segid "B " and resid 16 and name HB3 )) ASSI { 1661} ( segid "B " and resid 17 and name HB% ) (( segid "B " and resid 17 and name HA )) 1.900 0.400 0.400 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.33367E-01 ppm1 1.415 ppm2 4.103 CV 1 OR { 1661} ( segid "B " and resid 18 and name HB% ) (( segid "B " and resid 18 and name HA )) ASSI { 1685} ( segid "B " and resid 98 and name HB% ) ( segid "B " and resid 87 and name HG1%) 2.300 0.700 0.700 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.61592E-02 ppm1 1.326 ppm2 0.860 CV 1 OR { 1685} ( segid "B " and resid 98 and name HB% ) ( segid "B " and resid 45 and name HG1%) ASSI { 1688} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 99 and name HA2 )) 3.600 1.600 1.600 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.25299E-02 ppm1 0.792 ppm2 3.556 CV 1 OR { 1688} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 99 and name HA1 )) OR { 1688} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 99 and name HA1 )) ASSI { 1696} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 70 and name HB3 )) 3.300 1.400 1.400 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.34556E-02 ppm1 1.339 ppm2 1.681 CV 1 OR { 1696} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 97 and name HB2 )) ASSI { 1701} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 99 and name HA2 )) 3.800 1.800 1.800 peak 1701 spectrum 1 weight 0.10000E+01 volume 0.21465E-02 ppm1 0.817 ppm2 3.517 CV 1 OR { 1701} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 99 and name HA1 )) OR { 1701} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 99 and name HA2 )) OR { 1701} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 99 and name HA1 )) ASSI { 1706} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 110 and name HA )) 2.900 1.100 1.100 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.39979E-02 ppm1 0.779 ppm2 4.533 CV 1 OR { 1706} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 110 and name HA )) OR { 1706} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 103 and name HA )) ASSI { 1709} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 86 and name HA )) 3.200 1.300 1.300 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.18522E-02 ppm1 0.792 ppm2 4.846 CV 1 OR { 1709} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 86 and name HA )) ASSI { 1721} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 102 and name HD1%) 2.600 0.800 0.800 peak 1721 spectrum 1 weight 0.10000E+01 volume 0.55010E-02 ppm1 0.779 ppm2 0.157 CV 1 OR { 1721} ( segid "B " and resid 110 and name HG2%) ( segid "B " and resid 102 and name HD1%) ASSI { 1725} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 57 and name HB2 )) 2.800 1.000 1.000 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.47553E-02 ppm1 0.665 ppm2 0.274 CV 1 OR { 1725} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 42 and name HD1%) ASSI { 1726} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 42 and name HN )) 3.400 1.400 1.400 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.16303E-02 ppm1 0.665 ppm2 8.480 CV 1 OR { 1726} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 63 and name HN )) ASSI { 1728} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 112 and name HB2 )) 3.800 1.800 1.800 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.10148E-02 ppm1 0.817 ppm2 2.657 CV 1 OR { 1728} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 27 and name HB3 )) ASSI { 1730} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 85 and name HA )) 4.600 2.600 1.400 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.61722E-03 ppm1 0.830 ppm2 5.236 CV 1 OR { 1730} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 24 and name HA )) ASSI { 1749} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 67 and name HA )) 3.200 1.300 1.300 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.13973E-02 ppm1 0.843 ppm2 3.712 CV 1 OR { 1749} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 95 and name HA )) ASSI { 1750} ( segid "B " and resid 45 and name HG1%) (( segid "B " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.50851E-02 ppm1 0.843 ppm2 1.329 CV 1 OR { 1750} ( segid "B " and resid 45 and name HG1%) ( segid "B " and resid 98 and name HB% ) ASSI { 1770} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 86 and name HN )) 3.900 1.900 1.900 peak 1770 spectrum 1 weight 0.10000E+01 volume 0.20267E-02 ppm1 0.767 ppm2 8.753 CV 1 OR { 1770} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 102 and name HN )) OR { 1770} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 45 and name HN )) ASSI { 1774} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 87 and name HN )) 2.900 1.100 1.100 peak 1774 spectrum 1 weight 0.10000E+01 volume 0.41593E-02 ppm1 0.843 ppm2 9.144 CV 1 OR { 1774} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 43 and name HN )) ASSI { 1779} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 86 and name HN )) 3.400 1.500 1.500 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.17176E-02 ppm1 0.843 ppm2 8.753 CV 1 OR { 1779} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 102 and name HN )) OR { 1779} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 45 and name HN )) ASSI { 1783} ( segid "B " and resid 23 and name HG1%) ( segid "B " and resid 30 and name HB% ) 4.000 2.000 2.000 peak 1783 spectrum 1 weight 0.10000E+01 volume 0.17129E-02 ppm1 1.072 ppm2 1.642 CV 1 OR { 1783} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 110 and name HB )) ASSI { 1785} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 97 and name HB3 )) 2.700 0.900 0.900 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.11550E-01 ppm1 0.716 ppm2 1.954 CV 1 OR { 1785} ( segid "B " and resid 97 and name HD2%) (( segid "A " and resid 97 and name HB3 )) ASSI { 1800} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 24 and name HG3 )) 4.600 2.600 1.400 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.73140E-03 ppm1 1.072 ppm2 2.931 CV 1 OR { 1800} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 29 and name HB3 )) ASSI { 1804} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 100 and name HG2 )) 2.500 0.800 0.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.12450E-01 ppm1 0.716 ppm2 1.407 CV 1 OR { 1804} ( segid "B " and resid 97 and name HD2%) ( segid "B " and resid 18 and name HB% ) ASSI { 1805} ( segid "B " and resid 23 and name HG1%) (( segid "B " and resid 25 and name HB3 )) 3.700 1.700 1.700 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 1.072 ppm2 1.837 CV 1 OR { 1805} ( segid "B " and resid 23 and name HG1%) ( segid "B " and resid 24 and name HE% ) ASSI { 1815} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 42 and name HN )) 2.400 0.700 0.700 peak 1815 spectrum 1 weight 0.10000E+01 volume 0.56978E-02 ppm1 0.805 ppm2 8.480 CV 1 OR { 1815} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HN )) ASSI { 1820} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 41 and name HB )) 2.200 0.600 0.600 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.75090E-02 ppm1 0.805 ppm2 3.634 CV 1 OR { 1820} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 77 and name HB3 )) ASSI { 1821} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 63 and name HG3 )) 2.400 0.700 0.700 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.69333E-02 ppm1 0.805 ppm2 1.290 CV 1 OR { 1821} ( segid "B " and resid 41 and name HG2%) (( segid "B " and resid 43 and name HG13)) ASSI { 1843} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 102 and name HB2 )) 3.100 1.200 1.200 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.56382E-02 ppm1 -0.098 ppm2 0.782 CV 1 OR { 1843} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 110 and name HD1%) OR { 1843} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 85 and name HG2%) ASSI { 1852} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 74 and name HD2%) 2.000 0.500 0.500 peak 1852 spectrum 1 weight 0.10000E+01 volume 0.11503E-01 ppm1 -0.098 ppm2 0.157 CV 1 OR { 1852} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 102 and name HD1%) ASSI { 1861} ( segid "B " and resid 73 and name HD2%) (( segid "B " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.72575E-02 ppm1 0.805 ppm2 1.642 CV 1 OR { 1861} ( segid "B " and resid 73 and name HD2%) (( segid "B " and resid 76 and name HB2 )) ASSI { 1871} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 102 and name HD2%) 1.900 0.400 0.400 peak 1871 spectrum 1 weight 0.10000E+01 volume 0.15532E-01 ppm1 0.143 ppm2 -0.078 CV 1 OR { 1871} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 74 and name HD1%) ASSI { 1882} ( segid "B " and resid 79 and name HD2%) ( segid "B " and resid 102 and name HD1%) 3.000 1.100 1.100 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.18262E-02 ppm1 0.868 ppm2 0.157 CV 1 OR { 1882} ( segid "B " and resid 79 and name HD2%) ( segid "B " and resid 74 and name HD2%) ASSI { 1887} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HB3 )) 2.100 0.600 0.600 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.94236E-02 ppm1 0.143 ppm2 1.642 CV 1 OR { 1887} ( segid "B " and resid 125 and name HD2%) (( segid "B " and resid 27 and name HB2 )) ASSI { 1902} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 101 and name HA )) 3.800 1.800 1.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.10640E-02 ppm1 0.131 ppm2 4.103 CV 1 OR { 1902} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 81 and name HD3 )) OR { 1902} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 78 and name HA2 )) ASSI { 1906} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.48156E-02 ppm1 0.143 ppm2 0.547 CV 1 OR { 1906} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 70 and name HD1%) ASSI { 1907} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 41 and name HB )) 2.900 1.100 1.100 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 0.856 ppm2 3.634 CV 1 OR { 1907} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 77 and name HB2 )) OR { 1907} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 77 and name HB3 )) ASSI { 1913} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 42 and name HG )) 3.300 1.400 1.400 peak 1913 spectrum 1 weight 0.10000E+01 volume 0.63756E-02 ppm1 0.741 ppm2 1.329 CV 1 OR { 1913} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 42 and name HG )) ASSI { 1919} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 110 and name HB )) 3.700 1.800 1.800 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.18448E-02 ppm1 1.046 ppm2 1.642 CV 1 OR { 1919} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 30 and name HB% ) ASSI { 1922} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 87 and name HA )) 3.400 1.500 1.500 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.37973E-02 ppm1 0.741 ppm2 4.924 CV 1 OR { 1922} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 87 and name HA )) ASSI { 1924} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 43 and name HN )) 3.400 1.400 1.400 peak 1924 spectrum 1 weight 0.10000E+01 volume 0.31688E-02 ppm1 0.741 ppm2 9.144 CV 1 OR { 1924} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 87 and name HN )) ASSI { 1925} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 84 and name HG3 )) 4.200 2.200 1.800 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.11577E-02 ppm1 0.741 ppm2 2.189 CV 1 OR { 1925} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 84 and name HG3 )) OR { 1925} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 126 and name HG3 )) OR { 1925} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 27 and name HG3 )) OR { 1925} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 36 and name HG2 )) OR { 1925} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 36 and name HG3 )) OR { 1925} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 126 and name HB2 )) ASSI { 1930} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 34 and name HA )) 2.400 0.700 0.700 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.97948E-02 ppm1 0.550 ppm2 3.869 CV 1 OR { 1930} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 33 and name HA )) ASSI { 1939} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 85 and name HG2%) 2.000 0.500 0.500 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.19553E-01 ppm1 1.046 ppm2 0.782 CV 1 OR { 1939} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 41 and name HG2%) ASSI { 1947} ( segid "B " and resid 70 and name HD1%) ( segid "B " and resid 74 and name HD1%) 2.500 0.800 0.800 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.51435E-02 ppm1 0.538 ppm2 -0.078 CV 1 OR { 1947} ( segid "B " and resid 70 and name HD1%) ( segid "B " and resid 102 and name HD2%) ASSI { 1952} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 48 and name HB3 )) 3.600 1.600 1.600 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.20750E-02 ppm1 0.232 ppm2 2.618 CV 1 OR { 1952} ( segid "B " and resid 51 and name HD2%) (( segid "B " and resid 56 and name HE3 )) ASSI { 1956} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 70 and name HB2 )) 1.900 0.500 0.500 peak 1956 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.550 ppm2 1.446 CV 1 OR { 1956} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 33 and name HB2 )) ASSI { 1957} ( segid "B " and resid 86 and name HG1%) ( segid "B " and resid 30 and name HB% ) 2.300 0.700 0.700 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.73679E-02 ppm1 0.754 ppm2 1.642 CV 1 OR { 1957} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 34 and name HB2 )) ASSI { 1958} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 70 and name HB3 )) 2.600 0.900 0.900 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.12627E-01 ppm1 0.538 ppm2 1.642 CV 1 OR { 1958} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 30 and name HB% ) OR { 1958} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 74 and name HB3 )) ASSI { 1960} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 84 and name HA )) 4.400 2.400 1.600 peak 1960 spectrum 1 weight 0.10000E+01 volume 0.79249E-03 ppm1 0.767 ppm2 5.080 CV 1 OR { 1960} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 25 and name HA )) OR { 1960} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 84 and name HA )) ASSI { 1964} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 40 and name HB )) 2.500 0.800 0.800 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.10862E-01 ppm1 0.754 ppm2 1.837 CV 1 OR { 1964} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 40 and name HB )) OR { 1964} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 25 and name HB3 )) ASSI { 1978} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 18 and name HB% ) 2.900 1.000 1.000 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.45224E-02 ppm1 0.436 ppm2 1.446 CV 1 OR { 1978} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 96 and name HB% ) OR { 1978} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 17 and name HB% ) ASSI { 1997} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 48 and name HA )) 2.800 1.000 1.000 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.31482E-02 ppm1 0.334 ppm2 4.142 CV 1 OR { 1997} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 46 and name HA )) ASSI { 2013} ( segid "B " and resid 74 and name HD1%) ( segid "B " and resid 74 and name HD2%) 2.300 0.700 0.700 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.61657E-02 ppm1 -0.086 ppm2 0.157 CV 1 OR { 2013} ( segid "B " and resid 74 and name HD1%) ( segid "B " and resid 102 and name HD1%) ASSI { 2028} ( segid "B " and resid 97 and name HD1%) ( segid "A " and resid 11 and name HE% ) 3.300 1.300 1.300 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.36727E-02 ppm1 0.996 ppm2 7.190 CV 1 OR { 2028} ( segid "B " and resid 97 and name HD1%) (( segid "B " and resid 97 and name HN )) ASSI { 2030} (( segid "B " and resid 6 and name HG2 )) (( segid "B " and resid 6 and name HE3 )) 2.100 0.500 0.500 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.96091E-02 ppm1 1.364 ppm2 2.931 CV 1 OR { 2030} (( segid "B " and resid 6 and name HG2 )) (( segid "B " and resid 6 and name HE2 )) OR { 2030} (( segid "B " and resid 83 and name HG2 )) (( segid "B " and resid 80 and name HB3 )) ASSI { 2046} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 74 and name HB2 )) 2.500 0.800 0.800 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.25857E-02 ppm1 -0.086 ppm2 0.547 CV 1 OR { 2046} ( segid "B " and resid 74 and name HD1%) ( segid "B " and resid 70 and name HD1%) ASSI { 2064} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 27 and name HG2 )) 3.700 1.800 1.800 peak 2064 spectrum 1 weight 0.10000E+01 volume 0.13880E-02 ppm1 -0.226 ppm2 1.993 CV 1 OR { 2064} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 126 and name HG2 )) ASSI { 2092} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 62 and name HA )) 3.900 1.900 1.900 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.13193E-02 ppm1 0.372 ppm2 4.885 CV 1 OR { 2092} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 87 and name HA )) ASSI { 2095} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 57 and name HB3 )) 3.200 1.300 1.300 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.30814E-02 ppm1 0.372 ppm2 0.782 CV 1 OR { 2095} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 34 and name HD2%) OR { 2095} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 86 and name HG1%) ASSI { 2099} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 128 and name HG )) 2.000 0.500 0.500 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.12775E-01 ppm1 0.639 ppm2 1.173 CV 1 OR { 2099} ( segid "B " and resid 128 and name HD1%) (( segid "B " and resid 56 and name HD3 )) ASSI { 2108} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 31 and name HB3 )) 4.600 2.600 1.400 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.11930E-02 ppm1 0.360 ppm2 2.892 CV 1 OR { 2108} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 111 and name HB2 )) ASSI { 2114} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 0.245 ppm2 6.956 CV 1 OR { 2114} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 111 and name HD% ) ASSI { 2119} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 43 and name HN )) 3.500 1.500 1.500 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.85571E-03 ppm1 0.245 ppm2 9.144 CV 1 OR { 2119} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 87 and name HN )) ASSI { 2137} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 86 and name HB )) 3.900 1.900 1.900 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.17362E-02 ppm1 0.258 ppm2 1.876 CV 1 OR { 2137} ( segid "B " and resid 42 and name HD1%) (( segid "B " and resid 34 and name HB3 )) ASSI { 2142} ( segid "B " and resid 79 and name HD1%) (( segid "B " and resid 77 and name HA )) 4.300 2.400 1.700 peak 2142 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 0.728 ppm2 4.103 CV 1 OR { 2142} ( segid "B " and resid 79 and name HD1%) (( segid "B " and resid 78 and name HA2 )) ASSI { 2150} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 59 and name HG2%) 3.300 1.400 1.400 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.61359E-02 ppm1 0.258 ppm2 0.704 CV 1 OR { 2150} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 40 and name HG2%) ASSI { 2153} ( segid "B " and resid 79 and name HD1%) ( segid "B " and resid 102 and name HD1%) 3.200 1.200 1.200 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.33367E-02 ppm1 0.728 ppm2 0.157 CV 1 OR { 2153} ( segid "B " and resid 79 and name HD1%) ( segid "B " and resid 74 and name HD2%) ASSI { 2162} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 102 and name HD2%) 2.300 0.700 0.700 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.62196E-02 ppm1 0.156 ppm2 -0.078 CV 1 OR { 2162} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 74 and name HD1%) ASSI { 2169} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 110 and name HD1%) 2.000 0.500 0.500 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.12627E-01 ppm1 0.156 ppm2 0.782 CV 1 OR { 2169} ( segid "B " and resid 102 and name HD1%) (( segid "B " and resid 102 and name HB2 )) ASSI { 2173} ( segid "B " and resid 70 and name HD2%) ( segid "B " and resid 74 and name HD1%) 3.600 1.600 1.600 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.42985E-02 ppm1 0.639 ppm2 -0.078 CV 1 OR { 2173} ( segid "B " and resid 70 and name HD2%) ( segid "B " and resid 102 and name HD2%) ASSI { 2174} ( segid "B " and resid 121 and name HD1%) ( segid "B " and resid 54 and name HE% ) 2.600 0.900 0.900 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.40358E-02 ppm1 1.008 ppm2 1.485 CV 1 OR { 2174} ( segid "B " and resid 121 and name HD1%) (( segid "B " and resid 121 and name HB2 )) ASSI { 2205} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 70 and name HB3 )) 2.000 0.500 0.500 peak 2205 spectrum 1 weight 0.10000E+01 volume 0.92842E-02 ppm1 0.639 ppm2 1.642 CV 1 OR { 2205} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 76 and name HB2 )) ASSI { 2227} (( segid "B " and resid 103 and name HG2 )) (( segid "B " and resid 103 and name HD3 )) 2.900 1.100 1.100 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.30137E-02 ppm1 1.720 ppm2 3.361 CV 1 OR { 2227} (( segid "B " and resid 40 and name HG13)) (( segid "B " and resid 84 and name HD2 )) ASSI { 2231} (( segid "B " and resid 125 and name HG )) (( segid "B " and resid 27 and name HG3 )) 4.000 2.000 2.000 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.12812E-02 ppm1 0.652 ppm2 2.228 CV 1 OR { 2231} (( segid "B " and resid 125 and name HG )) (( segid "B " and resid 126 and name HB2 )) ASSI { 2246} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 65 and name HA )) 3.000 1.100 1.100 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.23545E-02 ppm1 0.652 ppm2 3.791 CV 1 OR { 2246} (( segid "B " and resid 125 and name HG )) (( segid "B " and resid 120 and name HA )) ASSI { 2250} (( segid "B " and resid 110 and name HG12)) ( segid "B " and resid 110 and name HG2%) 2.200 0.600 0.600 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.76939E-02 ppm1 1.301 ppm2 0.782 CV 1 OR { 2250} (( segid "B " and resid 110 and name HG12)) ( segid "B " and resid 110 and name HD1%) OR { 2250} (( segid "B " and resid 43 and name HG13)) ( segid "B " and resid 41 and name HG2%) ASSI { 2268} ( segid "B " and resid 34 and name HD1%) (( segid "B " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.44490E-02 ppm1 0.932 ppm2 1.642 CV 1 OR { 2268} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 30 and name HB% ) ASSI { 2278} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 34 and name HD2%) 2.200 0.600 0.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.96928E-02 ppm1 0.932 ppm2 0.782 CV 1 OR { 2278} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 86 and name HG1%) ASSI { 2355} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HE3 )) 1.700 0.400 0.500 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.40935E-01 ppm1 1.657 ppm2 2.970 CV 1 OR { 2355} (( segid "B " and resid 16 and name HD3 )) (( segid "B " and resid 16 and name HE2 )) OR { 2355} (( segid "B " and resid 60 and name HD2 )) (( segid "B " and resid 60 and name HE3 )) OR { 2355} (( segid "B " and resid 16 and name HD2 )) (( segid "B " and resid 16 and name HE3 )) OR { 2355} (( segid "B " and resid 32 and name HD2 )) (( segid "B " and resid 32 and name HE2 )) OR { 2355} (( segid "B " and resid 32 and name HD3 )) (( segid "B " and resid 32 and name HE3 )) OR { 2355} (( segid "B " and resid 32 and name HD3 )) (( segid "B " and resid 32 and name HE2 )) OR { 2355} (( segid "B " and resid 16 and name HD2 )) (( segid "B " and resid 16 and name HE2 )) OR { 2355} (( segid "B " and resid 16 and name HD3 )) (( segid "B " and resid 16 and name HE3 )) OR { 2355} (( segid "B " and resid 60 and name HD2 )) (( segid "B " and resid 60 and name HE2 )) ASSI { 2370} (( segid "B " and resid 5 and name HB3 )) (( segid "B " and resid 6 and name HE3 )) 3.400 1.400 1.400 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.17473E-02 ppm1 2.051 ppm2 2.931 CV 1 OR { 2370} (( segid "B " and resid 5 and name HB3 )) (( segid "B " and resid 6 and name HE2 )) OR { 2370} (( segid "B " and resid 5 and name HB2 )) (( segid "B " and resid 6 and name HE3 )) OR { 2370} (( segid "B " and resid 5 and name HB2 )) (( segid "B " and resid 6 and name HE2 )) OR { 2370} (( segid "B " and resid 123 and name HB3 )) (( segid "B " and resid 28 and name HE2 )) ASSI { 2374} (( segid "B " and resid 56 and name HD3 )) ( segid "B " and resid 51 and name HD1%) 4.800 2.800 1.200 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.75361E-03 ppm1 1.186 ppm2 0.352 CV 1 OR { 2374} (( segid "B " and resid 56 and name HD3 )) ( segid "B " and resid 42 and name HD2%) ASSI { 2401} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 119 and name HB2 )) 3.700 1.700 1.700 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.11856E-02 ppm1 2.624 ppm2 1.837 CV 1 OR { 2401} (( segid "B " and resid 27 and name HB3 )) (( segid "B " and resid 25 and name HB3 )) ASSI { 2486} (( segid "B " and resid 52 and name HB2 )) (( segid "B " and resid 52 and name HE3 )) 3.900 1.900 1.900 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.22941E-02 ppm1 1.822 ppm2 2.931 CV 1 OR { 2486} (( segid "B " and resid 52 and name HB3 )) (( segid "B " and resid 52 and name HE3 )) OR { 2486} (( segid "B " and resid 16 and name HB3 )) (( segid "B " and resid 16 and name HE2 )) OR { 2486} (( segid "B " and resid 16 and name HB3 )) (( segid "B " and resid 16 and name HE3 )) OR { 2486} (( segid "B " and resid 16 and name HB2 )) (( segid "B " and resid 16 and name HE3 )) OR { 2486} (( segid "B " and resid 52 and name HB3 )) (( segid "B " and resid 52 and name HE2 )) OR { 2486} (( segid "B " and resid 52 and name HB2 )) (( segid "B " and resid 52 and name HE2 )) ASSI { 2509} (( segid "B " and resid 54 and name HG2 )) ( segid "B " and resid 54 and name HE% ) 3.000 1.100 1.100 peak 2509 spectrum 1 weight 0.10000E+01 volume 0.19061E-02 ppm1 2.522 ppm2 1.485 CV 1 OR { 2509} (( segid "B " and resid 54 and name HG2 )) ( segid "B " and resid 53 and name HB% ) ASSI { 2513} (( segid "B " and resid 54 and name HG3 )) ( segid "B " and resid 53 and name HB% ) 3.200 1.300 1.300 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.17157E-02 ppm1 2.776 ppm2 1.485 CV 1 OR { 2513} (( segid "B " and resid 54 and name HG3 )) ( segid "B " and resid 54 and name HE% ) ASSI { 2521} (( segid "B " and resid 87 and name HB )) (( segid "B " and resid 87 and name HN )) 3.900 1.900 1.900 peak 2521 spectrum 1 weight 0.10000E+01 volume 0.87169E-03 ppm1 1.848 ppm2 9.144 CV 1 OR { 2521} (( segid "B " and resid 87 and name HB )) (( segid "B " and resid 43 and name HN )) ASSI { 2554} (( segid "B " and resid 108 and name HB2 )) (( segid "B " and resid 82 and name HA )) 3.200 1.200 1.200 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.12747E-02 ppm1 1.810 ppm2 4.142 CV 1 OR { 2554} (( segid "B " and resid 108 and name HB3 )) (( segid "B " and resid 84 and name HD3 )) OR { 2554} (( segid "B " and resid 108 and name HB2 )) (( segid "B " and resid 84 and name HD3 )) ASSI { 2557} (( segid "B " and resid 85 and name HB )) ( segid "B " and resid 85 and name HG2%) 2.600 0.900 0.900 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.30194E-02 ppm1 1.962 ppm2 0.782 CV 1 OR { 2557} (( segid "B " and resid 85 and name HB )) ( segid "B " and resid 86 and name HG1%) ASSI { 2559} (( segid "B " and resid 114 and name HG3 )) (( segid "B " and resid 114 and name HB2 )) 2.200 0.600 0.600 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.54750E-02 ppm1 2.204 ppm2 1.837 CV 1 OR { 2559} (( segid "B " and resid 114 and name HG3 )) ( segid "B " and resid 24 and name HE% ) ASSI { 2580} (( segid "B " and resid 61 and name HB2 )) (( segid "B " and resid 60 and name HB3 )) 4.000 2.000 2.000 peak 2580 spectrum 1 weight 0.10000E+01 volume 0.66000E-03 ppm1 2.751 ppm2 1.837 CV 1 OR { 2580} (( segid "B " and resid 61 and name HB2 )) (( segid "B " and resid 60 and name HB2 )) OR { 2580} (( segid "B " and resid 61 and name HB2 )) (( segid "B " and resid 40 and name HB )) ASSI { 2611} (( segid "B " and resid 40 and name HB )) ( segid "B " and resid 40 and name HD1%) 2.700 0.900 0.900 peak 2611 spectrum 1 weight 0.10000E+01 volume 0.35633E-02 ppm1 1.822 ppm2 0.782 CV 1 OR { 2611} (( segid "B " and resid 40 and name HB )) ( segid "B " and resid 34 and name HD2%) ASSI { 2612} (( segid "B " and resid 49 and name HB3 )) (( segid "B " and resid 49 and name HA )) 3.200 1.300 1.300 peak 2612 spectrum 1 weight 0.10000E+01 volume 0.11940E-02 ppm1 2.738 ppm2 4.299 CV 1 OR { 2612} (( segid "B " and resid 49 and name HB3 )) (( segid "A " and resid 49 and name HA )) ASSI { 2613} (( segid "B " and resid 49 and name HB2 )) (( segid "B " and resid 49 and name HA )) 3.400 1.500 1.500 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 2.624 ppm2 4.299 CV 1 OR { 2613} (( segid "B " and resid 49 and name HB2 )) (( segid "A " and resid 49 and name HA )) ASSI { 2630} (( segid "B " and resid 58 and name HB2 )) (( segid "B " and resid 58 and name HA )) 3.000 1.100 1.100 peak 2630 spectrum 1 weight 0.10000E+01 volume 0.10630E-02 ppm1 1.771 ppm2 4.416 CV 1 OR { 2630} (( segid "B " and resid 58 and name HB2 )) (( segid "B " and resid 126 and name HA )) ASSI { 2633} (( segid "B " and resid 129 and name HB3 )) (( segid "B " and resid 129 and name HA )) 2.700 0.900 0.900 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.48232E-02 ppm1 2.776 ppm2 4.377 CV 1 OR { 2633} (( segid "B " and resid 58 and name HB3 )) (( segid "B " and resid 126 and name HA )) ASSI { 2678} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 100 and name HA )) 3.600 1.600 1.600 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.13852E-02 ppm1 2.496 ppm2 4.103 CV 1 OR { 2678} (( segid "B " and resid 21 and name HB2 )) (( segid "B " and resid 18 and name HA )) ASSI { 2682} (( segid "B " and resid 51 and name HB3 )) (( segid "B " and resid 56 and name HG2 )) 3.400 1.400 1.400 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.21363E-02 ppm1 1.479 ppm2 0.977 CV 1 OR { 2682} (( segid "B " and resid 121 and name HB2 )) ( segid "B " and resid 121 and name HD2%) ASSI { 2684} (( segid "B " and resid 42 and name HB2 )) ( segid "B " and resid 42 and name HD1%) 2.700 0.900 0.900 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.15477E-02 ppm1 1.479 ppm2 0.235 CV 1 OR { 2684} (( segid "B " and resid 51 and name HB3 )) ( segid "B " and resid 51 and name HD2%) ASSI { 2709} (( segid "B " and resid 103 and name HD2 )) (( segid "B " and resid 103 and name HG3 )) 2.500 0.800 0.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.55965E-02 ppm1 3.272 ppm2 1.915 CV 1 OR { 2709} (( segid "B " and resid 103 and name HD2 )) (( segid "B " and resid 100 and name HB2 )) ASSI { 2792} (( segid "B " and resid 57 and name HD2 )) (( segid "B " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.82249E-03 ppm1 3.209 ppm2 1.173 CV 1 OR { 2792} (( segid "B " and resid 57 and name HD3 )) (( segid "B " and resid 57 and name HG3 )) OR { 2792} (( segid "B " and resid 57 and name HD2 )) (( segid "B " and resid 57 and name HG3 )) OR { 2792} (( segid "B " and resid 57 and name HD3 )) (( segid "B " and resid 56 and name HB2 )) ASSI { 2861} (( segid "B " and resid 112 and name HA )) ( segid "B " and resid 86 and name HG2%) 2.900 1.000 1.000 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.31158E-02 ppm1 5.396 ppm2 0.821 CV 1 OR { 2861} (( segid "B " and resid 112 and name HA )) ( segid "B " and resid 87 and name HG1%) ASSI { 2875} (( segid "B " and resid 24 and name HA )) ( segid "B " and resid 24 and name HE% ) 2.900 1.000 1.000 peak 2875 spectrum 1 weight 0.10000E+01 volume 0.25197E-02 ppm1 5.205 ppm2 1.837 CV 1 OR { 2875} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 114 and name HB2 )) OR { 2875} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 25 and name HB3 )) ASSI { 2881} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 24 and name HG2 )) 3.800 1.800 1.800 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.62743E-03 ppm1 5.231 ppm2 2.657 CV 1 OR { 2881} (( segid "B " and resid 24 and name HA )) (( segid "B " and resid 112 and name HB2 )) ASSI { 2894} (( segid "B " and resid 56 and name HA )) ( segid "B " and resid 51 and name HD2%) 4.700 2.800 1.300 peak 2894 spectrum 1 weight 0.10000E+01 volume 0.89314E-03 ppm1 4.480 ppm2 0.235 CV 1 OR { 2894} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 57 and name HB2 )) ASSI { 2895} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 56 and name HB2 )) 2.900 1.100 1.100 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.31287E-02 ppm1 4.468 ppm2 1.173 CV 1 OR { 2895} (( segid "B " and resid 56 and name HA )) (( segid "B " and resid 57 and name HG3 )) ASSI { 2917} (( segid "B " and resid 98 and name HA )) (( segid "B " and resid 98 and name HN )) 3.100 1.200 1.200 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.12571E-02 ppm1 4.430 ppm2 8.870 CV 1 OR { 2917} (( segid "B " and resid 98 and name HA )) (( segid "B " and resid 99 and name HN )) ASSI { 2924} (( segid "B " and resid 54 and name HA )) (( segid "B " and resid 55 and name HA2 )) 3.500 1.500 1.500 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.13323E-02 ppm1 4.671 ppm2 4.299 CV 1 OR { 2924} (( segid "B " and resid 54 and name HA )) (( segid "B " and resid 121 and name HA )) ASSI { 2929} (( segid "B " and resid 42 and name HA )) ( segid "B " and resid 86 and name HG2%) 4.200 2.200 1.800 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.82341E-03 ppm1 5.040 ppm2 0.821 CV 1 OR { 2929} (( segid "B " and resid 42 and name HA )) ( segid "B " and resid 41 and name HG2%) OR { 2929} (( segid "B " and resid 42 and name HA )) ( segid "B " and resid 87 and name HG1%) ASSI { 2941} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 21 and name HB2 )) 3.800 1.800 1.800 peak 2941 spectrum 1 weight 0.10000E+01 volume 0.11169E-02 ppm1 4.099 ppm2 2.501 CV 1 OR { 2941} (( segid "B " and resid 18 and name HA )) (( segid "B " and resid 22 and name HG2 )) OR { 2941} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 21 and name HB2 )) ASSI { 2943} (( segid "B " and resid 95 and name HA )) (( segid "B " and resid 98 and name HN )) 3.300 1.400 1.400 peak 2943 spectrum 1 weight 0.10000E+01 volume 0.82119E-03 ppm1 3.705 ppm2 8.870 CV 1 OR { 2943} (( segid "B " and resid 95 and name HA )) (( segid "B " and resid 99 and name HN )) ASSI { 2952} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 16 and name HB2 )) 2.400 0.700 0.700 peak 2952 spectrum 1 weight 0.10000E+01 volume 0.71248E-02 ppm1 4.099 ppm2 1.837 CV 1 OR { 2952} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 16 and name HB3 )) OR { 2952} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 16 and name HB3 )) OR { 2952} (( segid "B " and resid 13 and name HA )) (( segid "B " and resid 12 and name HB3 )) OR { 2952} (( segid "B " and resid 17 and name HA )) (( segid "B " and resid 16 and name HB2 )) ASSI { 2959} (( segid "B " and resid 79 and name HA )) (( segid "B " and resid 63 and name HE2 )) 4.500 2.500 1.500 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.92536E-03 ppm1 4.239 ppm2 3.009 CV 1 OR { 2959} (( segid "B " and resid 63 and name HA )) (( segid "B " and resid 63 and name HE3 )) OR { 2959} (( segid "B " and resid 63 and name HA )) (( segid "B " and resid 63 and name HE2 )) ASSI { 2970} (( segid "B " and resid 111 and name HA )) ( segid "B " and resid 23 and name HG2%) 3.700 1.700 1.700 peak 2970 spectrum 1 weight 0.10000E+01 volume 0.21874E-02 ppm1 5.765 ppm2 0.821 CV 1 OR { 2970} (( segid "B " and resid 111 and name HA )) ( segid "B " and resid 86 and name HG2%) ASSI { 2972} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 34 and name HD1%) 3.800 1.800 1.800 peak 2972 spectrum 1 weight 0.10000E+01 volume 0.10231E-02 ppm1 3.946 ppm2 0.938 CV 1 OR { 2972} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 25 and name HD2%) ASSI { 2974} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 33 and name HD1%) 2.500 0.800 0.800 peak 2974 spectrum 1 weight 0.10000E+01 volume 0.30378E-02 ppm1 3.946 ppm2 0.587 CV 1 OR { 2974} (( segid "B " and resid 30 and name HA )) ( segid "B " and resid 25 and name HD1%) ASSI { 3005} (( segid "B " and resid 49 and name HA )) (( segid "B " and resid 49 and name HB2 )) 2.800 1.000 1.000 peak 3005 spectrum 1 weight 0.10000E+01 volume 0.40060E-02 ppm1 4.290 ppm2 2.657 CV 1 OR { 3005} (( segid "B " and resid 49 and name HA )) (( segid "A " and resid 49 and name HB2 )) ASSI { 3017} (( segid "B " and resid 36 and name HA )) (( segid "B " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.10723E-01 ppm1 4.124 ppm2 1.915 CV 1 OR { 3017} (( segid "B " and resid 82 and name HA )) (( segid "B " and resid 82 and name HB2 )) ASSI { 3025} (( segid "B " and resid 26 and name HA )) (( segid "B " and resid 114 and name HB2 )) 3.500 1.600 1.600 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.12292E-02 ppm1 4.709 ppm2 1.798 CV 1 OR { 3025} (( segid "B " and resid 26 and name HA )) ( segid "B " and resid 24 and name HE% ) ASSI { 3039} (( segid "B " and resid 62 and name HA )) (( segid "B " and resid 63 and name HN )) 2.400 0.700 0.700 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.34361E-02 ppm1 4.849 ppm2 8.480 CV 1 OR { 3039} (( segid "B " and resid 62 and name HA )) (( segid "B " and resid 42 and name HN )) ASSI { 3057} (( segid "B " and resid 127 and name HA )) (( segid "B " and resid 58 and name HA )) 4.000 2.000 2.000 peak 3057 spectrum 1 weight 0.10000E+01 volume 0.88006E-03 ppm1 5.129 ppm2 4.377 CV 1 OR { 3057} (( segid "B " and resid 127 and name HA )) (( segid "B " and resid 126 and name HA )) ASSI { 3081} (( segid "B " and resid 33 and name HA )) (( segid "B " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 3081 spectrum 1 weight 0.10000E+01 volume 0.52288E-02 ppm1 3.883 ppm2 1.446 CV 1 OR { 3081} (( segid "B " and resid 97 and name HA )) ( segid "B " and resid 96 and name HB% ) OR { 3081} (( segid "B " and resid 35 and name HA )) (( segid "B " and resid 60 and name HG2 )) ASSI { 3084} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 40 and name HB )) 1.900 0.500 0.500 peak 3084 spectrum 1 weight 0.10000E+01 volume 0.20490E-01 ppm1 3.857 ppm2 1.837 CV 1 OR { 3084} (( segid "B " and resid 35 and name HA )) (( segid "B " and resid 35 and name HB2 )) OR { 3084} (( segid "B " and resid 114 and name HA )) (( segid "B " and resid 114 and name HB2 )) OR { 3084} (( segid "B " and resid 114 and name HA )) ( segid "B " and resid 24 and name HE% ) ASSI { 3092} (( segid "B " and resid 114 and name HA )) (( segid "B " and resid 24 and name HB3 )) 3.600 1.700 1.700 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.28883E-02 ppm1 3.845 ppm2 2.189 CV 1 OR { 3092} (( segid "B " and resid 35 and name HA )) (( segid "B " and resid 36 and name HG2 )) OR { 3092} (( segid "B " and resid 114 and name HA )) (( segid "B " and resid 24 and name HB2 )) ASSI { 3105} (( segid "B " and resid 85 and name HA )) ( segid "B " and resid 85 and name HG2%) 3.200 1.200 1.200 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.28390E-02 ppm1 5.256 ppm2 0.782 CV 1 OR { 3105} (( segid "B " and resid 85 and name HA )) ( segid "B " and resid 86 and name HG1%) OR { 3105} (( segid "B " and resid 85 and name HA )) ( segid "B " and resid 40 and name HD1%) ASSI { 3108} (( segid "B " and resid 7 and name HA )) ( segid "B " and resid 7 and name HD% ) 3.400 1.400 1.400 peak 3108 spectrum 1 weight 0.10000E+01 volume 0.33264E-02 ppm1 4.976 ppm2 7.464 CV 1 OR { 3108} (( segid "B " and resid 7 and name HA )) ( segid "A " and resid 105 and name HD% ) ASSI { 3117} (( segid "B " and resid 74 and name HA )) (( segid "B " and resid 65 and name HA )) 4.200 2.200 1.800 peak 3117 spectrum 1 weight 0.10000E+01 volume 0.96186E-03 ppm1 3.501 ppm2 3.791 CV 1 OR { 3117} (( segid "B " and resid 74 and name HA )) (( segid "B " and resid 102 and name HA )) ASSI { 3119} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 50 and name HA )) 3.700 1.700 1.700 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.17018E-02 ppm1 3.794 ppm2 4.142 CV 1 OR { 3119} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 48 and name HA )) ASSI { 3120} (( segid "B " and resid 74 and name HA )) (( segid "B " and resid 74 and name HG )) 3.300 1.300 1.300 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.97856E-03 ppm1 3.476 ppm2 1.524 CV 1 OR { 3120} (( segid "B " and resid 74 and name HA )) (( segid "B " and resid 63 and name HD2 )) ASSI { 3133} (( segid "B " and resid 51 and name HA )) (( segid "B " and resid 55 and name HA2 )) 3.300 1.300 1.300 peak 3133 spectrum 1 weight 0.10000E+01 volume 0.55984E-02 ppm1 3.794 ppm2 4.338 CV 1 OR { 3133} (( segid "B " and resid 102 and name HA )) (( segid "B " and resid 105 and name HA )) ASSI { 3142} (( segid "B " and resid 5 and name HA )) (( segid "B " and resid 8 and name HB3 )) 2.300 0.700 0.700 peak 3142 spectrum 1 weight 0.10000E+01 volume 0.59689E-02 ppm1 4.175 ppm2 2.892 CV 1 OR { 3142} (( segid "B " and resid 5 and name HA )) (( segid "B " and resid 8 and name HB2 )) OR { 3142} (( segid "B " and resid 6 and name HA )) (( segid "B " and resid 6 and name HE2 )) ASSI { 3151} (( segid "B " and resid 50 and name HA )) (( segid "A " and resid 49 and name HB2 )) 2.600 0.800 0.800 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.42438E-02 ppm1 4.124 ppm2 2.657 CV 1 OR { 3151} (( segid "B " and resid 50 and name HA )) (( segid "B " and resid 49 and name HB2 )) ASSI { 3159} (( segid "B " and resid 107 and name HA )) ( segid "B " and resid 85 and name HG2%) 3.900 1.900 1.900 peak 3159 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 4.684 ppm2 0.782 CV 1 OR { 3159} (( segid "B " and resid 107 and name HA )) ( segid "B " and resid 110 and name HD1%) OR { 3159} (( segid "B " and resid 107 and name HA )) ( segid "B " and resid 110 and name HG2%) ASSI { 3160} (( segid "B " and resid 43 and name HA )) (( segid "B " and resid 43 and name HG13)) 2.700 0.900 0.900 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.85062E-03 ppm1 4.379 ppm2 1.290 CV 1 OR { 3160} (( segid "B " and resid 43 and name HA )) (( segid "B " and resid 42 and name HG )) ASSI { 3184} (( segid "B " and resid 110 and name HA )) ( segid "B " and resid 110 and name HD1%) 2.700 0.900 0.900 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.63271E-02 ppm1 4.531 ppm2 0.782 CV 1 OR { 3184} (( segid "B " and resid 110 and name HA )) ( segid "B " and resid 85 and name HG2%) OR { 3184} (( segid "B " and resid 110 and name HA )) ( segid "B " and resid 110 and name HG2%) OR { 3184} (( segid "B " and resid 103 and name HA )) ( segid "B " and resid 110 and name HD1%) OR { 3184} (( segid "B " and resid 103 and name HA )) ( segid "B " and resid 110 and name HG2%) ASSI { 3213} (( segid "B " and resid 87 and name HA )) ( segid "B " and resid 87 and name HG2%) 3.400 1.400 1.400 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.20221E-02 ppm1 4.900 ppm2 0.782 CV 1 OR { 3213} (( segid "B " and resid 87 and name HA )) ( segid "B " and resid 86 and name HG1%) ASSI { 3220} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 63 and name HB3 )) 3.500 1.600 1.600 peak 3220 spectrum 1 weight 0.10000E+01 volume 0.17584E-02 ppm1 4.086 ppm2 1.407 CV 1 OR { 3220} (( segid "B " and resid 77 and name HA )) (( segid "B " and resid 79 and name HG )) ASSI { 3221} (( segid "B " and resid 87 and name HA )) (( segid "B " and resid 43 and name HN )) 3.000 1.200 1.200 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.85674E-03 ppm1 4.913 ppm2 9.144 CV 1 OR { 3221} (( segid "B " and resid 87 and name HA )) (( segid "B " and resid 87 and name HN )) ASSI { 3241} (( segid "B " and resid 84 and name HA )) ( segid "B " and resid 85 and name HG2%) 3.700 1.700 1.700 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.16340E-02 ppm1 5.078 ppm2 0.782 CV 1 OR { 3241} (( segid "B " and resid 84 and name HA )) ( segid "B " and resid 40 and name HD1%) ASSI { 3243} (( segid "B " and resid 40 and name HA )) (( segid "B " and resid 83 and name HA )) 3.900 1.900 1.900 peak 3243 spectrum 1 weight 0.10000E+01 volume 0.12144E-02 ppm1 4.302 ppm2 4.846 CV 1 OR { 3243} (( segid "B " and resid 40 and name HA )) (( segid "B " and resid 86 and name HA )) ASSI { 3244} (( segid "B " and resid 71 and name HA )) ( segid "B " and resid 74 and name HD1%) 3.900 1.900 1.900 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.15486E-02 ppm1 3.310 ppm2 -0.078 CV 1 OR { 3244} (( segid "B " and resid 71 and name HA )) ( segid "B " and resid 102 and name HD2%) ASSI { 3246} (( segid "B " and resid 84 and name HA )) (( segid "B " and resid 109 and name HA )) 4.200 2.200 1.800 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.75239E-03 ppm1 5.091 ppm2 4.299 CV 1 OR { 3246} (( segid "B " and resid 84 and name HA )) (( segid "B " and resid 108 and name HA )) ASSI { 3248} (( segid "B " and resid 26 and name HB2 )) (( segid "B " and resid 27 and name HB2 )) 4.000 2.000 2.000 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.99248E-03 ppm1 4.086 ppm2 1.642 CV 1 OR { 3248} (( segid "B " and resid 26 and name HB2 )) ( segid "B " and resid 30 and name HB% ) ASSI { 3255} (( segid "B " and resid 41 and name HA )) ( segid "B " and resid 41 and name HG2%) 2.000 0.500 0.500 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.11531E-01 ppm1 4.252 ppm2 0.821 CV 1 OR { 3255} (( segid "B " and resid 23 and name HA )) ( segid "B " and resid 23 and name HG2%) ASSI { 3271} (( segid "B " and resid 31 and name HA )) (( segid "B " and resid 120 and name HH2 )) 3.300 1.300 1.300 peak 3271 spectrum 1 weight 0.10000E+01 volume 0.16842E-02 ppm1 4.099 ppm2 6.838 CV 1 OR { 3271} (( segid "B " and resid 31 and name HA )) ( segid "B " and resid 31 and name HE% ) ASSI { 3306} (( segid "B " and resid 81 and name HA )) ( segid "B " and resid 107 and name HD% ) 3.200 1.300 1.300 peak 3306 spectrum 1 weight 0.10000E+01 volume 0.13685E-02 ppm1 3.539 ppm2 7.581 CV 1 OR { 3306} (( segid "B " and resid 81 and name HA )) ( segid "A " and resid 7 and name HE% ) ASSI { 3314} (( segid "B " and resid 77 and name HB2 )) (( segid "B " and resid 79 and name HA )) 4.200 2.200 1.800 peak 3314 spectrum 1 weight 0.10000E+01 volume 0.10482E-02 ppm1 3.654 ppm2 4.260 CV 1 OR { 3314} (( segid "B " and resid 77 and name HB3 )) (( segid "B " and resid 79 and name HA )) OR { 3314} (( segid "B " and resid 77 and name HB3 )) (( segid "B " and resid 63 and name HA )) OR { 3314} (( segid "B " and resid 77 and name HB2 )) (( segid "B " and resid 63 and name HA )) ASSI { 3329} (( segid "B " and resid 27 and name HA )) ( segid "B " and resid 30 and name HB% ) 2.600 0.800 0.800 peak 3329 spectrum 1 weight 0.10000E+01 volume 0.45278E-02 ppm1 4.557 ppm2 1.642 CV 1 OR { 3329} (( segid "B " and resid 27 and name HA )) (( segid "B " and resid 27 and name HB2 )) ASSI { 3344} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 18 and name HB% ) 2.800 1.000 1.000 peak 3344 spectrum 1 weight 0.10000E+01 volume 0.36402E-02 ppm1 3.259 ppm2 1.407 CV 1 OR { 3344} (( segid "B " and resid 15 and name HA )) ( segid "B " and resid 17 and name HB% ) ASSI { 3362} (( segid "B " and resid 41 and name HB )) (( segid "B " and resid 43 and name HG13)) 4.300 2.300 1.700 peak 3362 spectrum 1 weight 0.10000E+01 volume 0.65388E-03 ppm1 3.616 ppm2 1.290 CV 1 OR { 3362} (( segid "B " and resid 41 and name HB )) (( segid "B " and resid 63 and name HG3 )) ASSI { 3365} (( segid "B " and resid 41 and name HB )) (( segid "B " and resid 79 and name HA )) 4.200 2.200 1.800 peak 3365 spectrum 1 weight 0.10000E+01 volume 0.12487E-02 ppm1 3.616 ppm2 4.260 CV 1 OR { 3365} (( segid "B " and resid 41 and name HB )) (( segid "B " and resid 63 and name HA )) ASSI { 3379} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 114 and name HG3 )) 2.400 0.700 0.700 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.70701E-02 ppm1 1.828 ppm2 2.196 CV 1 OR { 3379} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HB3 )) OR { 3379} ( segid "A " and resid 24 and name HE% ) (( segid "A " and resid 24 and name HB2 )) ASSI { 3380} ( segid "A " and resid 24 and name HE% ) ( segid "A " and resid 87 and name HG2%) 4.000 2.000 2.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 1.828 ppm2 0.807 CV 1 OR { 3380} ( segid "A " and resid 24 and name HE% ) ( segid "A " and resid 23 and name HG2%) ASSI { 3407} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 102 and name HD1%) 2.500 0.800 0.800 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.50136E-02 ppm1 0.461 ppm2 0.156 CV 1 OR { 3407} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 74 and name HD2%) ASSI { 3411} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 63 and name HN )) 4.800 2.900 1.200 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 0.461 ppm2 8.445 CV 1 OR { 3411} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 44 and name HN )) ASSI { 3412} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 43 and name HG13)) 2.200 0.600 0.600 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.65689E-02 ppm1 0.461 ppm2 1.285 CV 1 OR { 3412} ( segid "A " and resid 43 and name HD1%) (( segid "A " and resid 63 and name HG3 )) ASSI { 3415} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 79 and name HD1%) 1.900 0.400 0.400 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.17444E-01 ppm1 0.461 ppm2 0.764 CV 1 OR { 3415} ( segid "A " and resid 43 and name HD1%) ( segid "A " and resid 85 and name HG2%) ASSI { 3430} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 85 and name HB )) 3.400 1.500 1.500 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.45124E-02 ppm1 0.765 ppm2 1.979 CV 1 OR { 3430} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 103 and name HB2 )) ASSI { 3438} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 107 and name HB2 )) 3.500 1.600 1.600 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.12620E-02 ppm1 0.765 ppm2 2.673 CV 1 OR { 3438} ( segid "A " and resid 110 and name HD1%) (( segid "A " and resid 112 and name HB2 )) ASSI { 3441} ( segid "A " and resid 40 and name HG2%) (( segid "A " and resid 34 and name HA )) 3.900 1.900 1.900 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.78751E-03 ppm1 0.683 ppm2 3.888 CV 1 OR { 3441} ( segid "A " and resid 40 and name HG2%) (( segid "A " and resid 33 and name HA )) ASSI { 3464} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 29 and name HN )) 4.100 2.100 1.900 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.14934E-02 ppm1 1.630 ppm2 7.664 CV 1 OR { 3464} ( segid "A " and resid 30 and name HB% ) (( segid "A " and resid 32 and name HN )) ASSI { 3474} ( segid "A " and resid 43 and name HG2%) (( segid "A " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.47610E-02 ppm1 0.496 ppm2 1.328 CV 1 OR { 3474} ( segid "A " and resid 43 and name HG2%) ( segid "A " and resid 98 and name HB% ) ASSI { 3482} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 89 and name HN )) 3.600 1.600 1.600 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.150 ppm2 7.186 CV 1 OR { 3482} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 97 and name HN )) ASSI { 3488} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 113 and name HB3 )) 3.200 1.200 1.200 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 1.139 ppm2 4.452 CV 1 OR { 3488} ( segid "A " and resid 95 and name HB% ) (( segid "A " and resid 98 and name HA )) ASSI { 3523} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 21 and name HB2 )) 4.700 2.800 1.300 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.10236E-02 ppm1 1.501 ppm2 2.500 CV 1 OR { 3523} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 22 and name HG2 )) ASSI { 3527} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 18 and name HN )) 4.100 2.100 1.900 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 1.501 ppm2 7.924 CV 1 OR { 3527} ( segid "A " and resid 20 and name HB% ) (( segid "A " and resid 17 and name HN )) ASSI { 3538} ( segid "A " and resid 96 and name HB% ) ( segid "A " and resid 24 and name HE% ) 3.300 1.300 1.300 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.40542E-02 ppm1 1.443 ppm2 1.805 CV 1 OR { 3538} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 19 and name HB3 )) OR { 3538} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 19 and name HB2 )) ASSI { 3539} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 98 and name HN )) 4.300 2.300 1.700 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.99221E-03 ppm1 1.443 ppm2 8.879 CV 1 OR { 3539} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 99 and name HN )) ASSI { 3541} ( segid "A " and resid 96 and name HB% ) ( segid "A " and resid 87 and name HG2%) 3.300 1.400 1.400 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.54474E-02 ppm1 1.443 ppm2 0.764 CV 1 OR { 3541} ( segid "A " and resid 96 and name HB% ) ( segid "A " and resid 15 and name HG1%) ASSI { 3543} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 21 and name HN )) 3.500 1.600 1.600 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.24511E-02 ppm1 1.454 ppm2 7.230 CV 1 OR { 3543} ( segid "A " and resid 96 and name HB% ) (( segid "A " and resid 113 and name HN )) ASSI { 3550} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 111 and name HN )) 3.200 1.300 1.300 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.37399E-02 ppm1 0.800 ppm2 9.096 CV 1 OR { 3550} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 111 and name HN )) ASSI { 3551} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 112 and name HN )) 4.200 2.300 1.800 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 0.800 ppm2 8.835 CV 1 OR { 3551} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 99 and name HN )) OR { 3551} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 99 and name HN )) ASSI { 3560} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 100 and name HB3 )) 3.500 1.500 1.500 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.39782E-02 ppm1 0.800 ppm2 2.196 CV 1 OR { 3560} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 84 and name HG3 )) ASSI { 3561} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 98 and name HN )) 2.400 0.700 0.700 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.57517E-02 ppm1 1.337 ppm2 8.879 CV 1 OR { 3561} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 99 and name HN )) ASSI { 3564} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 23 and name HN )) 3.200 1.300 1.300 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 0.800 ppm2 7.664 CV 1 OR { 3564} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 100 and name HN )) ASSI { 3565} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 109 and name HA )) 5.000 3.200 1.000 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.64145E-03 ppm1 0.800 ppm2 4.322 CV 1 OR { 3565} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 40 and name HA )) ASSI { 3576} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 42 and name HB3 )) 3.000 1.100 1.100 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 0.683 ppm2 1.675 CV 1 OR { 3576} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 60 and name HD3 )) ASSI { 3578} ( segid "A " and resid 59 and name HG2%) (( segid "A " and resid 59 and name HN )) 2.500 0.800 0.800 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.64411E-02 ppm1 0.683 ppm2 6.882 CV 1 OR { 3578} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 31 and name HE% ) ASSI { 3597} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 86 and name HN )) 4.000 2.000 2.000 peak 3597 spectrum 1 weight 0.10000E+01 volume 0.12220E-02 ppm1 0.788 ppm2 8.748 CV 1 OR { 3597} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 102 and name HN )) ASSI { 3600} ( segid "A " and resid 85 and name HG2%) (( segid "A " and resid 85 and name HB )) 2.500 0.800 0.800 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.53526E-02 ppm1 0.788 ppm2 1.979 CV 1 OR { 3600} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 103 and name HB2 )) ASSI { 3612} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 112 and name HN )) 3.300 1.400 1.400 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 0.846 ppm2 8.835 CV 1 OR { 3612} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 99 and name HN )) ASSI { 3613} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 25 and name HB3 )) 3.000 1.100 1.100 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.48969E-02 ppm1 0.846 ppm2 1.849 CV 1 OR { 3613} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 87 and name HB )) ASSI { 3616} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 24 and name HB3 )) 4.300 2.300 1.700 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 0.846 ppm2 2.196 CV 1 OR { 3616} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 27 and name HG3 )) OR { 3616} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 24 and name HB2 )) OR { 3616} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 114 and name HG3 )) OR { 3616} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 100 and name HB3 )) ASSI { 3617} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 27 and name HB3 )) 4.000 2.000 2.000 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 0.846 ppm2 2.630 CV 1 OR { 3617} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 24 and name HG2 )) ASSI { 3646} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 10 and name HN )) 3.700 1.700 1.700 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.36121E-02 ppm1 0.507 ppm2 8.401 CV 1 OR { 3646} ( segid "A " and resid 10 and name HG2%) (( segid "A " and resid 11 and name HN )) ASSI { 3659} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 24 and name HN )) 3.800 1.800 1.800 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.42866E-02 ppm1 0.835 ppm2 8.835 CV 1 OR { 3659} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 112 and name HN )) ASSI { 3665} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 111 and name HB2 )) 5.200 3.300 0.800 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.75033E-03 ppm1 0.846 ppm2 2.890 CV 1 OR { 3665} ( segid "A " and resid 23 and name HG2%) (( segid "A " and resid 24 and name HG3 )) ASSI { 3668} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 100 and name HA )) 4.200 2.200 1.800 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.11397E-02 ppm1 0.870 ppm2 4.062 CV 1 OR { 3668} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 101 and name HA )) ASSI { 3669} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 110 and name HB )) 3.800 1.800 1.800 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 0.858 ppm2 1.632 CV 1 OR { 3669} ( segid "A " and resid 87 and name HG1%) ( segid "A " and resid 30 and name HB% ) OR { 3669} ( segid "A " and resid 87 and name HG1%) (( segid "A " and resid 25 and name HB2 )) ASSI { 3684} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.55933E-02 ppm1 0.788 ppm2 1.892 CV 1 OR { 3684} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 86 and name HB )) ASSI { 3685} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 16 and name HE3 )) 3.700 1.700 1.700 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.27467E-02 ppm1 0.788 ppm2 2.934 CV 1 OR { 3685} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 16 and name HE2 )) OR { 3685} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 107 and name HB3 )) ASSI { 3686} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 86 and name HN )) 4.100 2.100 1.900 peak 3686 spectrum 1 weight 0.10000E+01 volume 0.19546E-02 ppm1 0.788 ppm2 8.748 CV 1 OR { 3686} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 102 and name HN )) OR { 3686} ( segid "A " and resid 15 and name HG1%) (( segid "B " and resid 68 and name HN )) OR { 3686} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 45 and name HN )) ASSI { 3693} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 18 and name HN )) 3.700 1.700 1.700 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 0.741 ppm2 7.924 CV 1 OR { 3693} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 17 and name HN )) ASSI { 3696} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 98 and name HN )) 4.600 2.700 1.400 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.76820E-03 ppm1 0.741 ppm2 8.879 CV 1 OR { 3696} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 99 and name HN )) ASSI { 3700} ( segid "A " and resid 97 and name HD2%) ( segid "B " and resid 15 and name HG2%) 3.300 1.300 1.300 peak 3700 spectrum 1 weight 0.10000E+01 volume 0.54974E-02 ppm1 0.730 ppm2 0.460 CV 1 OR { 3700} ( segid "A " and resid 97 and name HD2%) ( segid "A " and resid 15 and name HG2%) ASSI { 3703} ( segid "A " and resid 97 and name HD2%) ( segid "A " and resid 96 and name HB% ) 2.500 0.800 0.800 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.89573E-02 ppm1 0.730 ppm2 1.415 CV 1 OR { 3703} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 100 and name HG2 )) OR { 3703} ( segid "A " and resid 97 and name HD2%) ( segid "A " and resid 18 and name HB% ) ASSI { 3706} ( segid "A " and resid 97 and name HD2%) (( segid "A " and resid 97 and name HB2 )) 2.500 0.800 0.800 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.56740E-02 ppm1 0.741 ppm2 1.675 CV 1 OR { 3706} ( segid "A " and resid 97 and name HD2%) (( segid "B " and resid 97 and name HB2 )) ASSI { 3709} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 16 and name HG3 )) 3.100 1.200 1.200 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.50325E-02 ppm1 0.788 ppm2 1.458 CV 1 OR { 3709} ( segid "A " and resid 87 and name HG2%) ( segid "A " and resid 96 and name HB% ) OR { 3709} ( segid "A " and resid 15 and name HG1%) ( segid "A " and resid 96 and name HB% ) ASSI { 3720} ( segid "A " and resid 15 and name HG1%) (( segid "B " and resid 69 and name HA )) 3.300 1.400 1.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.37705E-02 ppm1 0.788 ppm2 4.062 CV 1 OR { 3720} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 100 and name HA )) OR { 3720} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 14 and name HA )) OR { 3720} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 17 and name HA )) ASSI { 3749} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 25 and name HG )) 4.400 2.500 1.600 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.84867E-03 ppm1 1.045 ppm2 1.675 CV 1 OR { 3749} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 110 and name HB )) ASSI { 3758} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 97 and name HB2 )) 4.300 2.300 1.700 peak 3758 spectrum 1 weight 0.10000E+01 volume 0.13162E-02 ppm1 1.174 ppm2 1.675 CV 1 OR { 3758} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 74 and name HB3 )) OR { 3758} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 70 and name HB3 )) OR { 3758} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 110 and name HB )) ASSI { 3759} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 102 and name HG )) 3.800 1.800 1.800 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.19413E-02 ppm1 1.185 ppm2 1.545 CV 1 OR { 3759} ( segid "A " and resid 101 and name HG2%) (( segid "A " and resid 100 and name HG3 )) ASSI { 3770} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 102 and name HB2 )) 3.300 1.300 1.300 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.45760E-02 ppm1 -0.089 ppm2 0.764 CV 1 OR { 3770} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 79 and name HD1%) OR { 3770} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 110 and name HD1%) OR { 3770} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 85 and name HG2%) ASSI { 3780} ( segid "A " and resid 102 and name HD2%) (( segid "B " and resid 10 and name HB )) 5.000 3.200 1.000 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.59047E-03 ppm1 -0.077 ppm2 4.279 CV 1 OR { 3780} ( segid "A " and resid 102 and name HD2%) (( segid "A " and resid 79 and name HA )) OR { 3780} ( segid "A " and resid 102 and name HD2%) (( segid "B " and resid 4 and name HA2 )) ASSI { 3782} ( segid "A " and resid 102 and name HD2%) ( segid "B " and resid 7 and name HE% ) 3.600 1.600 1.600 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 -0.089 ppm2 7.577 CV 1 OR { 3782} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 107 and name HD% ) ASSI { 3788} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 57 and name HB2 )) 2.400 0.700 0.700 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.47596E-02 ppm1 1.010 ppm2 0.243 CV 1 OR { 3788} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 42 and name HD1%) ASSI { 3789} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 58 and name HN )) 3.300 1.300 1.300 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 1.010 ppm2 8.011 CV 1 OR { 3789} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 35 and name HN )) ASSI { 3790} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 31 and name HE% ) 2.200 0.600 0.600 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.98281E-02 ppm1 1.010 ppm2 6.882 CV 1 OR { 3790} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 59 and name HN )) ASSI { 3792} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 34 and name HB2 )) 3.600 1.600 1.600 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.19523E-02 ppm1 1.010 ppm2 1.632 CV 1 OR { 3792} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 110 and name HB )) OR { 3792} ( segid "A " and resid 59 and name HG1%) ( segid "A " and resid 30 and name HB% ) ASSI { 3794} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 108 and name HB3 )) 4.000 2.000 2.000 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 1.010 ppm2 1.805 CV 1 OR { 3794} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 60 and name HB2 )) OR { 3794} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 60 and name HB3 )) ASSI { 3795} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 62 and name HB2 )) 4.200 2.200 1.800 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.80161E-03 ppm1 1.010 ppm2 2.760 CV 1 OR { 3795} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 31 and name HB2 )) OR { 3795} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 62 and name HB3 )) ASSI { 3798} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 59 and name HB )) 2.300 0.700 0.700 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.73197E-02 ppm1 1.010 ppm2 2.456 CV 1 OR { 3798} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 84 and name HB3 )) ASSI { 3801} ( segid "A " and resid 121 and name HD2%) (( segid "A " and resid 121 and name HN )) 4.100 2.100 1.900 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.18574E-02 ppm1 0.998 ppm2 8.575 CV 1 OR { 3801} ( segid "A " and resid 59 and name HG1%) (( segid "A " and resid 60 and name HN )) ASSI { 3816} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 42 and name HA )) 4.500 2.500 1.500 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.56380E-03 ppm1 0.882 ppm2 5.016 CV 1 OR { 3816} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 80 and name HA )) ASSI { 3826} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 79 and name HA )) 2.600 0.900 0.900 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.70931E-02 ppm1 0.882 ppm2 4.279 CV 1 OR { 3826} ( segid "A " and resid 79 and name HD2%) (( segid "A " and resid 40 and name HA )) ASSI { 3834} ( segid "A " and resid 74 and name HD2%) (( segid "A " and resid 74 and name HB3 )) 2.300 0.600 0.600 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.68583E-02 ppm1 0.168 ppm2 1.632 CV 1 OR { 3834} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 75 and name HB% ) ASSI { 3848} ( segid "A " and resid 25 and name HD2%) (( segid "A " and resid 25 and name HB2 )) 3.000 1.100 1.100 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.60428E-02 ppm1 0.952 ppm2 1.632 CV 1 OR { 3848} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 30 and name HB% ) ASSI { 3865} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 41 and name HG2%) 2.800 1.000 1.000 peak 3865 spectrum 1 weight 0.10000E+01 volume 0.15938E-01 ppm1 1.069 ppm2 0.807 CV 1 OR { 3865} ( segid "A " and resid 85 and name HG1%) ( segid "A " and resid 40 and name HD1%) ASSI { 3880} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 110 and name HA )) 4.700 2.800 1.300 peak 3880 spectrum 1 weight 0.10000E+01 volume 0.64741E-03 ppm1 1.057 ppm2 4.539 CV 1 OR { 3880} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 103 and name HA )) ASSI { 3908} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 25 and name HB2 )) 4.000 2.000 2.000 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.32019E-02 ppm1 0.765 ppm2 1.588 CV 1 OR { 3908} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 43 and name HB )) ASSI { 3909} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 40 and name HB )) 3.200 1.300 1.300 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.68020E-02 ppm1 0.765 ppm2 1.849 CV 1 OR { 3909} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 25 and name HB3 )) OR { 3909} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 34 and name HB3 )) ASSI { 3912} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 84 and name HD3 )) 5.300 3.600 0.700 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.60482E-03 ppm1 0.578 ppm2 4.149 CV 1 OR { 3912} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 68 and name HA2 )) OR { 3912} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 36 and name HA )) ASSI { 3913} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 34 and name HG )) 2.700 0.900 0.900 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.44937E-02 ppm1 0.578 ppm2 1.762 CV 1 OR { 3913} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 33 and name HB3 )) ASSI { 3919} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 37 and name HN )) 3.600 1.600 1.600 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.36551E-02 ppm1 0.578 ppm2 7.447 CV 1 OR { 3919} ( segid "A " and resid 70 and name HD1%) ( segid "B " and resid 7 and name HD% ) ASSI { 3930} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 30 and name HB% ) 3.000 1.200 1.200 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.63848E-02 ppm1 0.566 ppm2 1.632 CV 1 OR { 3930} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 74 and name HB3 )) OR { 3930} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 34 and name HB2 )) ASSI { 3934} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 67 and name HA )) 4.500 2.600 1.500 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 0.566 ppm2 3.758 CV 1 OR { 3934} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 65 and name HA )) ASSI { 3936} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 65 and name HB3 )) 2.900 1.000 1.000 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.48324E-02 ppm1 0.566 ppm2 1.502 CV 1 OR { 3936} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 74 and name HG )) ASSI { 3937} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 85 and name HN )) 4.800 2.800 1.200 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.59580E-03 ppm1 0.566 ppm2 7.794 CV 1 OR { 3937} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 101 and name HN )) ASSI { 3947} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 34 and name HB3 )) 2.400 0.700 0.700 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.50144E-02 ppm1 0.776 ppm2 1.849 CV 1 OR { 3947} ( segid "A " and resid 34 and name HD2%) (( segid "A " and resid 40 and name HB )) ASSI { 3974} ( segid "A " and resid 15 and name HG2%) ( segid "A " and resid 96 and name HB% ) 3.700 1.700 1.700 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.30849E-02 ppm1 0.449 ppm2 1.458 CV 1 OR { 3974} ( segid "A " and resid 15 and name HG2%) (( segid "B " and resid 70 and name HB2 )) OR { 3974} ( segid "A " and resid 15 and name HG2%) (( segid "A " and resid 16 and name HG3 )) ASSI { 3984} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 48 and name HB3 )) 4.900 3.000 1.100 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.64874E-03 ppm1 0.355 ppm2 2.586 CV 1 OR { 3984} ( segid "A " and resid 51 and name HD1%) (( segid "A " and resid 56 and name HE3 )) ASSI { 4000} ( segid "A " and resid 74 and name HD1%) (( segid "A " and resid 79 and name HA )) 5.500 3.700 0.500 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.50843E-03 ppm1 -0.065 ppm2 4.279 CV 1 OR { 4000} ( segid "A " and resid 74 and name HD1%) (( segid "B " and resid 4 and name HA2 )) ASSI { 4012} ( segid "A " and resid 125 and name HD1%) (( segid "A " and resid 120 and name HH2 )) 3.700 1.800 1.800 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.99771E-03 ppm1 -0.182 ppm2 6.839 CV 1 OR { 4012} ( segid "A " and resid 125 and name HD1%) ( segid "A " and resid 31 and name HE% ) ASSI { 4046} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 43 and name HA )) 4.100 2.100 1.900 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 0.391 ppm2 4.409 CV 1 OR { 4046} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 58 and name HA )) ASSI { 4047} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 86 and name HN )) 5.000 3.100 1.000 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.80947E-03 ppm1 0.391 ppm2 8.748 CV 1 OR { 4047} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 45 and name HN )) ASSI { 4048} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 41 and name HG2%) 3.800 1.800 1.800 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.37883E-02 ppm1 0.391 ppm2 0.807 CV 1 OR { 4048} ( segid "A " and resid 42 and name HD2%) ( segid "A " and resid 87 and name HG2%) ASSI { 4049} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 44 and name HN )) 3.400 1.500 1.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.25813E-02 ppm1 0.379 ppm2 8.445 CV 1 OR { 4049} ( segid "A " and resid 42 and name HD2%) (( segid "A " and resid 63 and name HN )) ASSI { 4080} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 110 and name HD1%) 2.300 0.600 0.600 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.80947E-02 ppm1 0.180 ppm2 0.764 CV 1 OR { 4080} ( segid "A " and resid 102 and name HD1%) (( segid "A " and resid 102 and name HB2 )) OR { 4080} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 85 and name HG2%) ASSI { 4096} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.28079E-02 ppm1 0.648 ppm2 1.632 CV 1 OR { 4096} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 74 and name HB3 )) ASSI { 4098} ( segid "A " and resid 70 and name HD2%) ( segid "A " and resid 74 and name HD2%) 4.300 2.300 1.700 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 0.648 ppm2 0.156 CV 1 OR { 4098} ( segid "A " and resid 70 and name HD2%) ( segid "A " and resid 102 and name HD1%) ASSI { 4101} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 67 and name HA )) 3.500 1.500 1.500 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.71213E-03 ppm1 0.648 ppm2 3.715 CV 1 OR { 4101} ( segid "A " and resid 70 and name HD2%) (( segid "A " and resid 95 and name HA )) ASSI { 4109} ( segid "A " and resid 73 and name HD1%) (( segid "A " and resid 76 and name HB2 )) 2.900 1.100 1.100 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.22040E-02 ppm1 0.671 ppm2 1.632 CV 1 OR { 4109} (( segid "A " and resid 125 and name HG )) (( segid "A " and resid 27 and name HB2 )) OR { 4109} (( segid "A " and resid 125 and name HG )) (( segid "A " and resid 28 and name HD3 )) ASSI { 4111} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.43250E-02 ppm1 0.589 ppm2 1.632 CV 1 OR { 4111} ( segid "A " and resid 25 and name HD1%) ( segid "A " and resid 30 and name HB% ) ASSI { 3379} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 114 and name HG3 )) 2.400 0.700 0.700 peak 3379 spectrum 1 weight 0.10000E+01 volume 0.70701E-02 ppm1 1.828 ppm2 2.196 CV 1 OR { 3379} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HB3 )) OR { 3379} ( segid "B " and resid 24 and name HE% ) (( segid "B " and resid 24 and name HB2 )) ASSI { 3380} ( segid "B " and resid 24 and name HE% ) ( segid "B " and resid 87 and name HG2%) 4.000 2.000 2.000 peak 3380 spectrum 1 weight 0.10000E+01 volume 0.16283E-02 ppm1 1.828 ppm2 0.807 CV 1 OR { 3380} ( segid "B " and resid 24 and name HE% ) ( segid "B " and resid 23 and name HG2%) ASSI { 3407} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 102 and name HD1%) 2.500 0.800 0.800 peak 3407 spectrum 1 weight 0.10000E+01 volume 0.50136E-02 ppm1 0.461 ppm2 0.156 CV 1 OR { 3407} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 74 and name HD2%) ASSI { 3411} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 63 and name HN )) 4.800 2.900 1.200 peak 3411 spectrum 1 weight 0.10000E+01 volume 0.10079E-02 ppm1 0.461 ppm2 8.445 CV 1 OR { 3411} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 44 and name HN )) ASSI { 3412} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 43 and name HG13)) 2.200 0.600 0.600 peak 3412 spectrum 1 weight 0.10000E+01 volume 0.65689E-02 ppm1 0.461 ppm2 1.285 CV 1 OR { 3412} ( segid "B " and resid 43 and name HD1%) (( segid "B " and resid 63 and name HG3 )) ASSI { 3415} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 79 and name HD1%) 1.900 0.400 0.400 peak 3415 spectrum 1 weight 0.10000E+01 volume 0.17444E-01 ppm1 0.461 ppm2 0.764 CV 1 OR { 3415} ( segid "B " and resid 43 and name HD1%) ( segid "B " and resid 85 and name HG2%) ASSI { 3430} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 85 and name HB )) 3.400 1.500 1.500 peak 3430 spectrum 1 weight 0.10000E+01 volume 0.45124E-02 ppm1 0.765 ppm2 1.979 CV 1 OR { 3430} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 103 and name HB2 )) ASSI { 3438} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 107 and name HB2 )) 3.500 1.600 1.600 peak 3438 spectrum 1 weight 0.10000E+01 volume 0.12620E-02 ppm1 0.765 ppm2 2.673 CV 1 OR { 3438} ( segid "B " and resid 110 and name HD1%) (( segid "B " and resid 112 and name HB2 )) ASSI { 3441} ( segid "B " and resid 40 and name HG2%) (( segid "B " and resid 34 and name HA )) 3.900 1.900 1.900 peak 3441 spectrum 1 weight 0.10000E+01 volume 0.78751E-03 ppm1 0.683 ppm2 3.888 CV 1 OR { 3441} ( segid "B " and resid 40 and name HG2%) (( segid "B " and resid 33 and name HA )) ASSI { 3464} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 29 and name HN )) 4.100 2.100 1.900 peak 3464 spectrum 1 weight 0.10000E+01 volume 0.14934E-02 ppm1 1.630 ppm2 7.664 CV 1 OR { 3464} ( segid "B " and resid 30 and name HB% ) (( segid "B " and resid 32 and name HN )) ASSI { 3474} ( segid "B " and resid 43 and name HG2%) (( segid "B " and resid 65 and name HB2 )) 2.400 0.700 0.700 peak 3474 spectrum 1 weight 0.10000E+01 volume 0.47610E-02 ppm1 0.496 ppm2 1.328 CV 1 OR { 3474} ( segid "B " and resid 43 and name HG2%) ( segid "B " and resid 98 and name HB% ) ASSI { 3482} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 89 and name HN )) 3.600 1.600 1.600 peak 3482 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 1.150 ppm2 7.186 CV 1 OR { 3482} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 97 and name HN )) ASSI { 3488} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 113 and name HB3 )) 3.200 1.200 1.200 peak 3488 spectrum 1 weight 0.10000E+01 volume 0.12055E-02 ppm1 1.139 ppm2 4.452 CV 1 OR { 3488} ( segid "B " and resid 95 and name HB% ) (( segid "B " and resid 98 and name HA )) ASSI { 3523} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 21 and name HB2 )) 4.700 2.800 1.300 peak 3523 spectrum 1 weight 0.10000E+01 volume 0.10236E-02 ppm1 1.501 ppm2 2.500 CV 1 OR { 3523} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 22 and name HG2 )) ASSI { 3527} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 18 and name HN )) 4.100 2.100 1.900 peak 3527 spectrum 1 weight 0.10000E+01 volume 0.19452E-02 ppm1 1.501 ppm2 7.924 CV 1 OR { 3527} ( segid "B " and resid 20 and name HB% ) (( segid "B " and resid 17 and name HN )) ASSI { 3538} ( segid "B " and resid 96 and name HB% ) ( segid "B " and resid 24 and name HE% ) 3.300 1.300 1.300 peak 3538 spectrum 1 weight 0.10000E+01 volume 0.40542E-02 ppm1 1.443 ppm2 1.805 CV 1 OR { 3538} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 19 and name HB3 )) OR { 3538} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 19 and name HB2 )) ASSI { 3539} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 98 and name HN )) 4.200 2.300 1.800 peak 3539 spectrum 1 weight 0.10000E+01 volume 0.99221E-03 ppm1 1.443 ppm2 8.879 CV 1 OR { 3539} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 99 and name HN )) ASSI { 3541} ( segid "B " and resid 96 and name HB% ) ( segid "B " and resid 87 and name HG2%) 3.200 1.300 1.300 peak 3541 spectrum 1 weight 0.10000E+01 volume 0.54474E-02 ppm1 1.443 ppm2 0.764 CV 1 OR { 3541} ( segid "B " and resid 96 and name HB% ) ( segid "B " and resid 110 and name HD1%) ASSI { 3543} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 21 and name HN )) 3.500 1.600 1.600 peak 3543 spectrum 1 weight 0.10000E+01 volume 0.24511E-02 ppm1 1.454 ppm2 7.230 CV 1 OR { 3543} ( segid "B " and resid 96 and name HB% ) (( segid "B " and resid 113 and name HN )) ASSI { 3550} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 111 and name HN )) 3.200 1.300 1.300 peak 3550 spectrum 1 weight 0.10000E+01 volume 0.37399E-02 ppm1 0.800 ppm2 9.096 CV 1 OR { 3550} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 111 and name HN )) ASSI { 3551} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 112 and name HN )) 4.200 2.300 1.800 peak 3551 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 0.800 ppm2 8.835 CV 1 OR { 3551} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 99 and name HN )) OR { 3551} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 99 and name HN )) ASSI { 3560} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 100 and name HB3 )) 3.500 1.500 1.500 peak 3560 spectrum 1 weight 0.10000E+01 volume 0.39782E-02 ppm1 0.800 ppm2 2.196 CV 1 OR { 3560} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 84 and name HG3 )) ASSI { 3561} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 98 and name HN )) 2.400 0.700 0.700 peak 3561 spectrum 1 weight 0.10000E+01 volume 0.57517E-02 ppm1 1.337 ppm2 8.879 CV 1 OR { 3561} ( segid "B " and resid 98 and name HB% ) (( segid "B " and resid 99 and name HN )) ASSI { 3564} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 23 and name HN )) 3.200 1.300 1.300 peak 3564 spectrum 1 weight 0.10000E+01 volume 0.13224E-02 ppm1 0.800 ppm2 7.664 CV 1 OR { 3564} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 100 and name HN )) ASSI { 3565} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 109 and name HA )) 5.000 3.100 1.000 peak 3565 spectrum 1 weight 0.10000E+01 volume 0.64145E-03 ppm1 0.800 ppm2 4.322 CV 1 OR { 3565} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 40 and name HA )) ASSI { 3576} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 42 and name HB3 )) 3.000 1.100 1.100 peak 3576 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 0.683 ppm2 1.675 CV 1 OR { 3576} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 60 and name HD3 )) ASSI { 3578} ( segid "B " and resid 59 and name HG2%) (( segid "B " and resid 59 and name HN )) 2.500 0.800 0.800 peak 3578 spectrum 1 weight 0.10000E+01 volume 0.64411E-02 ppm1 0.683 ppm2 6.882 CV 1 OR { 3578} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 31 and name HE% ) ASSI { 3600} ( segid "B " and resid 85 and name HG2%) (( segid "B " and resid 85 and name HB )) 2.500 0.800 0.800 peak 3600 spectrum 1 weight 0.10000E+01 volume 0.53526E-02 ppm1 0.788 ppm2 1.979 CV 1 OR { 3600} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 103 and name HB2 )) ASSI { 3612} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 112 and name HN )) 3.300 1.400 1.400 peak 3612 spectrum 1 weight 0.10000E+01 volume 0.23499E-02 ppm1 0.846 ppm2 8.835 CV 1 OR { 3612} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 99 and name HN )) ASSI { 3613} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 25 and name HB3 )) 3.000 1.100 1.100 peak 3613 spectrum 1 weight 0.10000E+01 volume 0.48969E-02 ppm1 0.846 ppm2 1.849 CV 1 OR { 3613} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 87 and name HB )) ASSI { 3616} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 24 and name HB3 )) 4.300 2.300 1.700 peak 3616 spectrum 1 weight 0.10000E+01 volume 0.10589E-02 ppm1 0.846 ppm2 2.196 CV 1 OR { 3616} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 27 and name HG3 )) OR { 3616} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 24 and name HB2 )) OR { 3616} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 114 and name HG3 )) OR { 3616} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 100 and name HB3 )) ASSI { 3617} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 27 and name HB3 )) 4.000 2.000 2.000 peak 3617 spectrum 1 weight 0.10000E+01 volume 0.10801E-02 ppm1 0.846 ppm2 2.630 CV 1 OR { 3617} ( segid "B " and resid 86 and name HG2%) (( segid "B " and resid 24 and name HG2 )) ASSI { 3646} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 10 and name HN )) 3.700 1.700 1.700 peak 3646 spectrum 1 weight 0.10000E+01 volume 0.36121E-02 ppm1 0.507 ppm2 8.401 CV 1 OR { 3646} ( segid "B " and resid 10 and name HG2%) (( segid "B " and resid 11 and name HN )) ASSI { 3659} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 24 and name HN )) 3.800 1.800 1.800 peak 3659 spectrum 1 weight 0.10000E+01 volume 0.42866E-02 ppm1 0.835 ppm2 8.835 CV 1 OR { 3659} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 112 and name HN )) ASSI { 3665} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 111 and name HB2 )) 5.200 3.300 0.800 peak 3665 spectrum 1 weight 0.10000E+01 volume 0.75033E-03 ppm1 0.846 ppm2 2.890 CV 1 OR { 3665} ( segid "B " and resid 23 and name HG2%) (( segid "B " and resid 24 and name HG3 )) ASSI { 3668} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 100 and name HA )) 4.200 2.200 1.800 peak 3668 spectrum 1 weight 0.10000E+01 volume 0.11397E-02 ppm1 0.870 ppm2 4.062 CV 1 OR { 3668} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 101 and name HA )) ASSI { 3669} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 110 and name HB )) 3.800 1.800 1.800 peak 3669 spectrum 1 weight 0.10000E+01 volume 0.33814E-02 ppm1 0.858 ppm2 1.632 CV 1 OR { 3669} ( segid "B " and resid 87 and name HG1%) ( segid "B " and resid 30 and name HB% ) OR { 3669} ( segid "B " and resid 87 and name HG1%) (( segid "B " and resid 25 and name HB2 )) ASSI { 3684} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 22 and name HB2 )) 3.400 1.400 1.400 peak 3684 spectrum 1 weight 0.10000E+01 volume 0.55933E-02 ppm1 0.788 ppm2 1.892 CV 1 OR { 3684} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 86 and name HB )) ASSI { 3685} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 16 and name HE3 )) 3.600 1.700 1.700 peak 3685 spectrum 1 weight 0.10000E+01 volume 0.27467E-02 ppm1 0.788 ppm2 2.934 CV 1 OR { 3685} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 16 and name HE2 )) OR { 3685} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 107 and name HB3 )) ASSI { 3693} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 18 and name HN )) 3.700 1.700 1.700 peak 3693 spectrum 1 weight 0.10000E+01 volume 0.13067E-02 ppm1 0.741 ppm2 7.924 CV 1 OR { 3693} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 17 and name HN )) ASSI { 3696} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 98 and name HN )) 4.500 2.500 1.500 peak 3696 spectrum 1 weight 0.10000E+01 volume 0.76820E-03 ppm1 0.741 ppm2 8.879 CV 1 OR { 3696} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 99 and name HN )) ASSI { 3703} ( segid "B " and resid 97 and name HD2%) ( segid "B " and resid 96 and name HB% ) 2.500 0.800 0.800 peak 3703 spectrum 1 weight 0.10000E+01 volume 0.89573E-02 ppm1 0.730 ppm2 1.415 CV 1 OR { 3703} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 100 and name HG2 )) ASSI { 3706} ( segid "B " and resid 97 and name HD2%) (( segid "B " and resid 97 and name HB2 )) 2.400 0.700 0.700 peak 3706 spectrum 1 weight 0.10000E+01 volume 0.56740E-02 ppm1 0.741 ppm2 1.675 CV 1 OR { 3706} ( segid "B " and resid 97 and name HD2%) (( segid "A " and resid 97 and name HB2 )) ASSI { 3709} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 16 and name HG3 )) 3.100 1.200 1.200 peak 3709 spectrum 1 weight 0.10000E+01 volume 0.50325E-02 ppm1 0.788 ppm2 1.458 CV 1 OR { 3709} ( segid "B " and resid 87 and name HG2%) ( segid "B " and resid 96 and name HB% ) ASSI { 3720} ( segid "B " and resid 15 and name HG1%) (( segid "A " and resid 69 and name HA )) 3.300 1.400 1.400 peak 3720 spectrum 1 weight 0.10000E+01 volume 0.37705E-02 ppm1 0.788 ppm2 4.062 CV 1 OR { 3720} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 100 and name HA )) OR { 3720} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 14 and name HA )) ASSI { 3749} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 25 and name HG )) 4.400 2.500 1.600 peak 3749 spectrum 1 weight 0.10000E+01 volume 0.84867E-03 ppm1 1.045 ppm2 1.675 CV 1 OR { 3749} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 110 and name HB )) ASSI { 3759} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 102 and name HG )) 3.700 1.700 1.700 peak 3759 spectrum 1 weight 0.10000E+01 volume 0.19413E-02 ppm1 1.185 ppm2 1.545 CV 1 OR { 3759} ( segid "B " and resid 101 and name HG2%) (( segid "B " and resid 100 and name HG3 )) ASSI { 3770} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 102 and name HB2 )) 3.300 1.300 1.300 peak 3770 spectrum 1 weight 0.10000E+01 volume 0.45760E-02 ppm1 -0.089 ppm2 0.764 CV 1 OR { 3770} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 79 and name HD1%) OR { 3770} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 110 and name HD1%) ASSI { 3780} ( segid "B " and resid 102 and name HD2%) (( segid "A " and resid 10 and name HB )) 4.700 2.700 1.300 peak 3780 spectrum 1 weight 0.10000E+01 volume 0.59047E-03 ppm1 -0.077 ppm2 4.279 CV 1 OR { 3780} ( segid "B " and resid 102 and name HD2%) (( segid "B " and resid 79 and name HA )) ASSI { 3782} ( segid "B " and resid 102 and name HD2%) ( segid "A " and resid 7 and name HE% ) 3.600 1.600 1.600 peak 3782 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 -0.089 ppm2 7.577 CV 1 OR { 3782} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 107 and name HD% ) ASSI { 3788} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 57 and name HB2 )) 2.400 0.700 0.700 peak 3788 spectrum 1 weight 0.10000E+01 volume 0.47596E-02 ppm1 1.010 ppm2 0.243 CV 1 OR { 3788} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 42 and name HD1%) ASSI { 3789} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 58 and name HN )) 3.300 1.300 1.300 peak 3789 spectrum 1 weight 0.10000E+01 volume 0.15632E-02 ppm1 1.010 ppm2 8.011 CV 1 OR { 3789} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 35 and name HN )) ASSI { 3790} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 31 and name HE% ) 2.200 0.600 0.600 peak 3790 spectrum 1 weight 0.10000E+01 volume 0.98281E-02 ppm1 1.010 ppm2 6.882 CV 1 OR { 3790} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 59 and name HN )) ASSI { 3792} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 34 and name HB2 )) 3.600 1.600 1.600 peak 3792 spectrum 1 weight 0.10000E+01 volume 0.19523E-02 ppm1 1.010 ppm2 1.632 CV 1 OR { 3792} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 110 and name HB )) OR { 3792} ( segid "B " and resid 59 and name HG1%) ( segid "B " and resid 30 and name HB% ) ASSI { 3794} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 108 and name HB3 )) 4.000 2.000 2.000 peak 3794 spectrum 1 weight 0.10000E+01 volume 0.23295E-02 ppm1 1.010 ppm2 1.805 CV 1 OR { 3794} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 60 and name HB2 )) OR { 3794} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 60 and name HB3 )) ASSI { 3795} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 62 and name HB2 )) 4.200 2.200 1.800 peak 3795 spectrum 1 weight 0.10000E+01 volume 0.80161E-03 ppm1 1.010 ppm2 2.760 CV 1 OR { 3795} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 31 and name HB2 )) OR { 3795} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 62 and name HB3 )) ASSI { 3798} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 59 and name HB )) 2.300 0.700 0.700 peak 3798 spectrum 1 weight 0.10000E+01 volume 0.73197E-02 ppm1 1.010 ppm2 2.456 CV 1 OR { 3798} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 84 and name HB3 )) ASSI { 3801} ( segid "B " and resid 121 and name HD2%) (( segid "B " and resid 121 and name HN )) 4.100 2.100 1.900 peak 3801 spectrum 1 weight 0.10000E+01 volume 0.18574E-02 ppm1 0.998 ppm2 8.575 CV 1 OR { 3801} ( segid "B " and resid 59 and name HG1%) (( segid "B " and resid 60 and name HN )) ASSI { 3816} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 42 and name HA )) 4.500 2.500 1.500 peak 3816 spectrum 1 weight 0.10000E+01 volume 0.56380E-03 ppm1 0.882 ppm2 5.016 CV 1 OR { 3816} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 80 and name HA )) ASSI { 3826} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 79 and name HA )) 2.600 0.900 0.900 peak 3826 spectrum 1 weight 0.10000E+01 volume 0.70931E-02 ppm1 0.882 ppm2 4.279 CV 1 OR { 3826} ( segid "B " and resid 79 and name HD2%) (( segid "B " and resid 40 and name HA )) ASSI { 3834} ( segid "B " and resid 74 and name HD2%) (( segid "B " and resid 74 and name HB3 )) 2.300 0.600 0.600 peak 3834 spectrum 1 weight 0.10000E+01 volume 0.68583E-02 ppm1 0.168 ppm2 1.632 CV 1 OR { 3834} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 75 and name HB% ) ASSI { 3848} ( segid "B " and resid 25 and name HD2%) (( segid "B " and resid 25 and name HB2 )) 3.000 1.100 1.100 peak 3848 spectrum 1 weight 0.10000E+01 volume 0.60428E-02 ppm1 0.952 ppm2 1.632 CV 1 OR { 3848} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 30 and name HB% ) ASSI { 3865} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 41 and name HG2%) 2.800 1.000 1.000 peak 3865 spectrum 1 weight 0.10000E+01 volume 0.15938E-01 ppm1 1.069 ppm2 0.807 CV 1 OR { 3865} ( segid "B " and resid 85 and name HG1%) ( segid "B " and resid 40 and name HD1%) ASSI { 3908} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 25 and name HB2 )) 4.000 2.000 2.000 peak 3908 spectrum 1 weight 0.10000E+01 volume 0.32019E-02 ppm1 0.765 ppm2 1.588 CV 1 OR { 3908} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 43 and name HB )) ASSI { 3909} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 40 and name HB )) 3.200 1.300 1.300 peak 3909 spectrum 1 weight 0.10000E+01 volume 0.68020E-02 ppm1 0.765 ppm2 1.849 CV 1 OR { 3909} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 25 and name HB3 )) OR { 3909} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 34 and name HB3 )) ASSI { 3912} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 84 and name HD3 )) 5.100 3.200 0.900 peak 3912 spectrum 1 weight 0.10000E+01 volume 0.60482E-03 ppm1 0.578 ppm2 4.149 CV 1 OR { 3912} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 36 and name HA )) ASSI { 3913} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 34 and name HG )) 2.700 0.900 0.900 peak 3913 spectrum 1 weight 0.10000E+01 volume 0.44937E-02 ppm1 0.578 ppm2 1.762 CV 1 OR { 3913} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 33 and name HB3 )) ASSI { 3919} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 37 and name HN )) 3.600 1.600 1.600 peak 3919 spectrum 1 weight 0.10000E+01 volume 0.36551E-02 ppm1 0.578 ppm2 7.447 CV 1 OR { 3919} ( segid "B " and resid 70 and name HD1%) ( segid "A " and resid 7 and name HD% ) ASSI { 3930} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 30 and name HB% ) 3.000 1.200 1.200 peak 3930 spectrum 1 weight 0.10000E+01 volume 0.63848E-02 ppm1 0.566 ppm2 1.632 CV 1 OR { 3930} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 74 and name HB3 )) OR { 3930} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 34 and name HB2 )) ASSI { 3934} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 67 and name HA )) 4.400 2.400 1.600 peak 3934 spectrum 1 weight 0.10000E+01 volume 0.11279E-02 ppm1 0.566 ppm2 3.758 CV 1 OR { 3934} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 65 and name HA )) ASSI { 3936} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 65 and name HB3 )) 2.900 1.000 1.000 peak 3936 spectrum 1 weight 0.10000E+01 volume 0.48324E-02 ppm1 0.566 ppm2 1.502 CV 1 OR { 3936} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 74 and name HG )) ASSI { 3937} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 85 and name HN )) 4.800 2.800 1.200 peak 3937 spectrum 1 weight 0.10000E+01 volume 0.59580E-03 ppm1 0.566 ppm2 7.794 CV 1 OR { 3937} ( segid "B " and resid 70 and name HD1%) (( segid "B " and resid 101 and name HN )) ASSI { 3947} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 34 and name HB3 )) 2.400 0.700 0.700 peak 3947 spectrum 1 weight 0.10000E+01 volume 0.50144E-02 ppm1 0.776 ppm2 1.849 CV 1 OR { 3947} ( segid "B " and resid 34 and name HD2%) (( segid "B " and resid 40 and name HB )) ASSI { 3966} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 14 and name HA )) 3.500 1.600 1.600 peak 3966 spectrum 1 weight 0.10000E+01 volume 0.21970E-02 ppm1 0.461 ppm2 4.062 CV 1 OR { 3966} ( segid "B " and resid 15 and name HG2%) (( segid "A " and resid 69 and name HA )) ASSI { 3974} ( segid "B " and resid 15 and name HG2%) ( segid "B " and resid 96 and name HB% ) 3.500 1.500 1.500 peak 3974 spectrum 1 weight 0.10000E+01 volume 0.30849E-02 ppm1 0.449 ppm2 1.458 CV 1 OR { 3974} ( segid "B " and resid 15 and name HG2%) (( segid "B " and resid 16 and name HG3 )) ASSI { 3984} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 48 and name HB3 )) 4.900 3.000 1.100 peak 3984 spectrum 1 weight 0.10000E+01 volume 0.64874E-03 ppm1 0.355 ppm2 2.586 CV 1 OR { 3984} ( segid "B " and resid 51 and name HD1%) (( segid "B " and resid 56 and name HE3 )) ASSI { 4000} ( segid "B " and resid 74 and name HD1%) (( segid "B " and resid 79 and name HA )) 5.500 3.700 0.500 peak 4000 spectrum 1 weight 0.10000E+01 volume 0.50843E-03 ppm1 -0.065 ppm2 4.279 CV 1 OR { 4000} ( segid "B " and resid 74 and name HD1%) (( segid "A " and resid 4 and name HA2 )) ASSI { 4012} ( segid "B " and resid 125 and name HD1%) (( segid "B " and resid 120 and name HH2 )) 3.700 1.800 1.800 peak 4012 spectrum 1 weight 0.10000E+01 volume 0.99771E-03 ppm1 -0.182 ppm2 6.839 CV 1 OR { 4012} ( segid "B " and resid 125 and name HD1%) ( segid "B " and resid 31 and name HE% ) ASSI { 4046} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 43 and name HA )) 4.100 2.100 1.900 peak 4046 spectrum 1 weight 0.10000E+01 volume 0.97889E-03 ppm1 0.391 ppm2 4.409 CV 1 OR { 4046} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 58 and name HA )) ASSI { 4047} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 86 and name HN )) 5.000 3.100 1.000 peak 4047 spectrum 1 weight 0.10000E+01 volume 0.80947E-03 ppm1 0.391 ppm2 8.748 CV 1 OR { 4047} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 45 and name HN )) ASSI { 4048} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 41 and name HG2%) 3.800 1.800 1.800 peak 4048 spectrum 1 weight 0.10000E+01 volume 0.37883E-02 ppm1 0.391 ppm2 0.807 CV 1 OR { 4048} ( segid "B " and resid 42 and name HD2%) ( segid "B " and resid 87 and name HG2%) ASSI { 4049} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 44 and name HN )) 3.400 1.500 1.500 peak 4049 spectrum 1 weight 0.10000E+01 volume 0.25813E-02 ppm1 0.379 ppm2 8.445 CV 1 OR { 4049} ( segid "B " and resid 42 and name HD2%) (( segid "B " and resid 63 and name HN )) ASSI { 4080} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 110 and name HD1%) 2.300 0.600 0.600 peak 4080 spectrum 1 weight 0.10000E+01 volume 0.80947E-02 ppm1 0.180 ppm2 0.764 CV 1 OR { 4080} ( segid "B " and resid 102 and name HD1%) (( segid "B " and resid 102 and name HB2 )) OR { 4080} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 85 and name HG2%) ASSI { 4096} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 76 and name HB2 )) 2.800 1.000 1.000 peak 4096 spectrum 1 weight 0.10000E+01 volume 0.28079E-02 ppm1 0.648 ppm2 1.632 CV 1 OR { 4096} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 74 and name HB3 )) ASSI { 4098} ( segid "B " and resid 70 and name HD2%) ( segid "B " and resid 74 and name HD2%) 4.300 2.300 1.700 peak 4098 spectrum 1 weight 0.10000E+01 volume 0.15562E-02 ppm1 0.648 ppm2 0.156 CV 1 OR { 4098} ( segid "B " and resid 70 and name HD2%) ( segid "B " and resid 102 and name HD1%) ASSI { 4101} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 67 and name HA )) 3.500 1.500 1.500 peak 4101 spectrum 1 weight 0.10000E+01 volume 0.71213E-03 ppm1 0.648 ppm2 3.715 CV 1 OR { 4101} ( segid "B " and resid 70 and name HD2%) (( segid "B " and resid 95 and name HA )) ASSI { 4109} ( segid "B " and resid 73 and name HD1%) (( segid "B " and resid 76 and name HB2 )) 2.900 1.100 1.100 peak 4109 spectrum 1 weight 0.10000E+01 volume 0.22040E-02 ppm1 0.671 ppm2 1.632 CV 1 OR { 4109} (( segid "B " and resid 125 and name HG )) (( segid "B " and resid 27 and name HB2 )) OR { 4109} (( segid "B " and resid 125 and name HG )) (( segid "B " and resid 28 and name HD3 )) ASSI { 4111} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 4111 spectrum 1 weight 0.10000E+01 volume 0.43250E-02 ppm1 0.589 ppm2 1.632 CV 1 OR { 4111} ( segid "B " and resid 25 and name HD1%) ( segid "B " and resid 30 and name HB% ) ASSI { 4152} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 111 and name HA )) 3.800 1.800 1.800 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.66672E-03 ppm1 0.783 ppm2 5.775 CV 1 OR { 4152} ( segid "A " and resid 87 and name HG2%) (( segid "A " and resid 111 and name HA )) OR { 4152} ( segid "A " and resid 86 and name HG1%) (( segid "A " and resid 111 and name HA )) ASSI { 4175} ( segid "A " and resid 59 and name HG2%) ( segid "A " and resid 62 and name HE% ) 4.300 2.400 1.700 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.57953E-03 ppm1 0.681 ppm2 6.527 CV 1 OR { 4175} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 62 and name HE% ) ASSI { 4177} (( segid "A " and resid 56 and name HB3 )) ( segid "A " and resid 62 and name HE% ) 3.900 1.900 1.900 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 1.307 ppm2 6.527 CV 1 OR { 4177} (( segid "A " and resid 128 and name HB2 )) ( segid "A " and resid 62 and name HE% ) OR { 4177} (( segid "A " and resid 51 and name HG )) ( segid "A " and resid 62 and name HE% ) ASSI { 4206} (( segid "A " and resid 121 and name HB3 )) (( segid "A " and resid 120 and name HD1 )) 4.600 2.700 1.400 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.60601E-03 ppm1 2.161 ppm2 6.585 CV 1 OR { 4206} (( segid "A " and resid 126 and name HG3 )) (( segid "A " and resid 120 and name HD1 )) ASSI { 4209} (( segid "A " and resid 117 and name HA )) (( segid "A " and resid 120 and name HD1 )) 4.700 2.800 1.300 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.39987E-03 ppm1 4.322 ppm2 6.585 CV 1 OR { 4209} (( segid "A " and resid 55 and name HA2 )) (( segid "A " and resid 120 and name HD1 )) ASSI { 4230} (( segid "A " and resid 40 and name HG13)) ( segid "A " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.81134E-03 ppm1 1.739 ppm2 6.697 CV 1 OR { 4230} (( segid "A " and resid 33 and name HB3 )) ( segid "A " and resid 111 and name HE% ) OR { 4230} (( segid "A " and resid 34 and name HG )) ( segid "A " and resid 111 and name HE% ) ASSI { 4232} (( segid "A " and resid 120 and name HA )) ( segid "A " and resid 88 and name HE% ) 4.800 2.900 1.200 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.44282E-03 ppm1 3.783 ppm2 6.697 CV 1 OR { 4232} (( segid "A " and resid 115 and name HA1 )) ( segid "A " and resid 88 and name HE% ) ASSI { 4233} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 88 and name HE% ) 4.400 2.400 1.600 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.86874E-03 ppm1 0.249 ppm2 6.697 CV 1 OR { 4233} (( segid "A " and resid 57 and name HB2 )) ( segid "A " and resid 88 and name HE% ) OR { 4233} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 111 and name HE% ) ASSI { 4235} (( segid "A " and resid 40 and name HG12)) ( segid "A " and resid 111 and name HE% ) 3.500 1.500 1.500 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 0.945 ppm2 6.703 CV 1 OR { 4235} ( segid "A " and resid 25 and name HD2%) ( segid "A " and resid 111 and name HE% ) ASSI { 4239} ( segid "A " and resid 33 and name HD1%) ( segid "A " and resid 111 and name HE% ) 3.100 1.200 1.200 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.18837E-02 ppm1 0.564 ppm2 6.703 CV 1 OR { 4239} ( segid "A " and resid 25 and name HD1%) ( segid "A " and resid 111 and name HE% ) ASSI { 4241} (( segid "A " and resid 84 and name HB2 )) ( segid "A " and resid 111 and name HE% ) 3.300 1.300 1.300 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.80029E-03 ppm1 1.912 ppm2 6.703 CV 1 OR { 4241} (( segid "A " and resid 86 and name HB )) ( segid "A " and resid 111 and name HE% ) ASSI { 4255} (( segid "A " and resid 40 and name HB )) ( segid "A " and resid 111 and name HE% ) 4.500 2.600 1.500 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.97526E-03 ppm1 1.825 ppm2 6.703 CV 1 OR { 4255} (( segid "A " and resid 25 and name HB3 )) ( segid "A " and resid 111 and name HE% ) OR { 4255} (( segid "A " and resid 108 and name HB3 )) ( segid "A " and resid 111 and name HE% ) ASSI { 4257} (( segid "A " and resid 25 and name HB2 )) ( segid "A " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.95040E-03 ppm1 1.632 ppm2 6.703 CV 1 OR { 4257} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 111 and name HE% ) ASSI { 4260} ( segid "A " and resid 40 and name HD1%) ( segid "A " and resid 111 and name HE% ) 3.000 1.200 1.200 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 0.783 ppm2 6.703 CV 1 OR { 4260} ( segid "A " and resid 86 and name HG1%) ( segid "A " and resid 111 and name HE% ) OR { 4260} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 111 and name HE% ) ASSI { 4262} ( segid "A " and resid 23 and name HG2%) ( segid "A " and resid 111 and name HE% ) 3.700 1.700 1.700 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.19361E-02 ppm1 0.818 ppm2 6.703 CV 1 OR { 4262} ( segid "A " and resid 86 and name HG2%) ( segid "A " and resid 111 and name HE% ) ASSI { 4264} (( segid "A " and resid 84 and name HG2 )) ( segid "A " and resid 111 and name HE% ) 3.200 1.200 1.200 peak 4264 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 2.059 ppm2 6.703 CV 1 OR { 4264} (( segid "A " and resid 23 and name HB )) ( segid "A " and resid 111 and name HE% ) ASSI { 4278} (( segid "A " and resid 42 and name HG )) ( segid "A " and resid 62 and name HD% ) 3.900 1.900 1.900 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.54057E-03 ppm1 1.281 ppm2 6.744 CV 1 OR { 4278} (( segid "A " and resid 63 and name HG3 )) ( segid "A " and resid 62 and name HD% ) OR { 4278} (( segid "A " and resid 43 and name HG13)) ( segid "A " and resid 62 and name HD% ) ASSI { 4279} (( segid "A " and resid 57 and name HB3 )) ( segid "A " and resid 62 and name HD% ) 4.600 2.700 1.400 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.51097E-03 ppm1 0.793 ppm2 6.744 CV 1 OR { 4279} ( segid "A " and resid 41 and name HG2%) ( segid "A " and resid 62 and name HD% ) OR { 4279} ( segid "A " and resid 34 and name HD2%) ( segid "A " and resid 62 and name HD% ) ASSI { 4281} (( segid "A " and resid 56 and name HD3 )) ( segid "A " and resid 62 and name HD% ) 3.900 1.900 1.900 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 1.174 ppm2 6.744 CV 1 OR { 4281} (( segid "A " and resid 57 and name HG3 )) ( segid "A " and resid 62 and name HD% ) OR { 4281} (( segid "A " and resid 56 and name HB2 )) ( segid "A " and resid 62 and name HD% ) ASSI { 4289} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 62 and name HD% ) 4.400 2.400 1.600 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.79257E-03 ppm1 0.935 ppm2 6.744 CV 1 OR { 4289} (( segid "A " and resid 56 and name HG2 )) ( segid "A " and resid 62 and name HD% ) ASSI { 4292} (( segid "A " and resid 63 and name HD2 )) ( segid "A " and resid 62 and name HD% ) 4.300 2.400 1.700 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.54912E-03 ppm1 1.510 ppm2 6.744 CV 1 OR { 4292} (( segid "A " and resid 42 and name HB2 )) ( segid "A " and resid 62 and name HD% ) ASSI { 4294} (( segid "A " and resid 42 and name HG )) ( segid "A " and resid 62 and name HD% ) 3.700 1.700 1.700 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.87204E-03 ppm1 1.312 ppm2 6.744 CV 1 OR { 4294} (( segid "A " and resid 63 and name HG3 )) ( segid "A " and resid 62 and name HD% ) OR { 4294} (( segid "A " and resid 43 and name HG13)) ( segid "A " and resid 62 and name HD% ) OR { 4294} (( segid "A " and resid 128 and name HB2 )) ( segid "A " and resid 62 and name HD% ) ASSI { 4303} ( segid "A " and resid 102 and name HD2%) (( segid "B " and resid 7 and name HZ )) 3.600 1.600 1.600 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.17728E-02 ppm1 -0.077 ppm2 6.832 CV 1 OR { 4303} ( segid "A " and resid 74 and name HD1%) (( segid "B " and resid 7 and name HZ )) ASSI { 4306} ( segid "A " and resid 75 and name HB% ) (( segid "B " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 1.637 ppm2 6.832 CV 1 OR { 4306} (( segid "A " and resid 74 and name HB3 )) (( segid "B " and resid 7 and name HZ )) ASSI { 4307} (( segid "A " and resid 4 and name HA2 )) (( segid "A " and resid 7 and name HZ )) 4.000 2.000 2.000 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.79698E-03 ppm1 4.261 ppm2 6.832 CV 1 OR { 4307} (( segid "A " and resid 79 and name HA )) (( segid "B " and resid 7 and name HZ )) ASSI { 4315} (( segid "A " and resid 74 and name HG )) (( segid "B " and resid 7 and name HZ )) 4.200 2.200 1.800 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.58118E-03 ppm1 1.490 ppm2 6.838 CV 1 OR { 4315} (( segid "A " and resid 42 and name HB2 )) (( segid "A " and resid 120 and name HH2 )) ASSI { 4319} (( segid "A " and resid 35 and name HG2 )) ( segid "A " and resid 31 and name HE% ) 2.700 0.900 0.900 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.51186E-02 ppm1 1.861 ppm2 6.849 CV 1 OR { 4319} (( segid "A " and resid 34 and name HB3 )) ( segid "A " and resid 31 and name HE% ) OR { 4319} (( segid "A " and resid 35 and name HB2 )) ( segid "A " and resid 31 and name HE% ) ASSI { 4321} (( segid "A " and resid 59 and name HB )) ( segid "A " and resid 31 and name HE% ) 3.500 1.600 1.600 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 2.446 ppm2 6.849 CV 1 OR { 4321} (( segid "A " and resid 126 and name HB3 )) ( segid "A " and resid 31 and name HE% ) ASSI { 4333} (( segid "A " and resid 125 and name HA )) ( segid "A " and resid 31 and name HE% ) 4.100 2.100 1.900 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.71199E-03 ppm1 3.865 ppm2 6.849 CV 1 OR { 4333} (( segid "A " and resid 35 and name HA )) ( segid "A " and resid 31 and name HE% ) ASSI { 4338} (( segid "A " and resid 59 and name HB )) ( segid "A " and resid 31 and name HE% ) 3.500 1.600 1.600 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.98739E-03 ppm1 2.481 ppm2 6.849 CV 1 OR { 4338} (( segid "A " and resid 126 and name HD2 )) ( segid "A " and resid 31 and name HE% ) ASSI { 4369} (( segid "A " and resid 42 and name HG )) ( segid "A " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 1.317 ppm2 6.931 CV 1 OR { 4369} (( segid "A " and resid 56 and name HB3 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4374} ( segid "A " and resid 34 and name HD1%) ( segid "A " and resid 88 and name HD% ) 4.100 2.100 1.900 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.76717E-03 ppm1 0.945 ppm2 6.931 CV 1 OR { 4374} (( segid "A " and resid 56 and name HG2 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4378} (( segid "A " and resid 27 and name HD3 )) ( segid "A " and resid 88 and name HD% ) 4.000 2.000 2.000 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.36229E-03 ppm1 4.017 ppm2 6.931 CV 1 OR { 4378} (( segid "A " and resid 57 and name HA )) ( segid "A " and resid 88 and name HD% ) ASSI { 4382} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 88 and name HD% ) 3.400 1.400 1.400 peak 4382 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 0.259 ppm2 6.931 CV 1 OR { 4382} (( segid "A " and resid 57 and name HB2 )) ( segid "A " and resid 88 and name HD% ) ASSI { 4417} ( segid "A " and resid 13 and name HB% ) ( segid "B " and resid 105 and name HE% ) 3.400 1.400 1.400 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 1.525 ppm2 6.967 CV 1 OR { 4417} (( segid "A " and resid 74 and name HG )) ( segid "A " and resid 105 and name HE% ) ASSI { 4419} (( segid "A " and resid 104 and name HG3 )) ( segid "A " and resid 105 and name HE% ) 5.000 3.100 1.000 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.44569E-03 ppm1 2.568 ppm2 6.972 CV 1 OR { 4419} (( segid "A " and resid 29 and name HB2 )) ( segid "A " and resid 111 and name HD% ) ASSI { 4426} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 111 and name HD% ) 3.900 1.900 1.900 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.60547E-03 ppm1 7.791 ppm2 6.972 CV 1 OR { 4426} (( segid "A " and resid 106 and name HN )) ( segid "A " and resid 105 and name HE% ) ASSI { 4434} (( segid "A " and resid 34 and name HG )) ( segid "A " and resid 111 and name HD% ) 3.800 1.800 1.800 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 1.754 ppm2 6.972 CV 1 OR { 4434} (( segid "A " and resid 33 and name HB3 )) ( segid "A " and resid 111 and name HD% ) OR { 4434} (( segid "A " and resid 103 and name HG2 )) ( segid "A " and resid 105 and name HE% ) ASSI { 4436} (( segid "A " and resid 104 and name HA )) ( segid "A " and resid 105 and name HE% ) 4.700 2.700 1.300 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.40754E-03 ppm1 4.129 ppm2 6.972 CV 1 OR { 4436} (( segid "A " and resid 13 and name HA )) ( segid "B " and resid 105 and name HE% ) OR { 4436} (( segid "A " and resid 9 and name HA )) ( segid "B " and resid 105 and name HE% ) OR { 4436} (( segid "A " and resid 84 and name HD3 )) ( segid "A " and resid 111 and name HD% ) ASSI { 4438} (( segid "A " and resid 110 and name HG12)) ( segid "A " and resid 111 and name HD% ) 5.100 3.200 0.900 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.55031E-03 ppm1 1.312 ppm2 6.972 CV 1 OR { 4438} (( segid "A " and resid 42 and name HG )) ( segid "A " and resid 111 and name HD% ) ASSI { 4442} (( segid "A " and resid 25 and name HA )) ( segid "A " and resid 111 and name HD% ) 4.400 2.500 1.600 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.82070E-03 ppm1 5.065 ppm2 6.978 CV 1 OR { 4442} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 111 and name HD% ) ASSI { 4460} ( segid "A " and resid 86 and name HG1%) ( segid "A " and resid 111 and name HD% ) 3.000 1.100 1.100 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.40529E-02 ppm1 0.778 ppm2 6.978 CV 1 OR { 4460} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 111 and name HD% ) OR { 4460} ( segid "A " and resid 87 and name HG2%) ( segid "A " and resid 111 and name HD% ) ASSI { 4467} (( segid "A " and resid 44 and name HB2 )) (( segid "A " and resid 64 and name HD2 )) 4.400 2.400 1.600 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.62532E-03 ppm1 2.308 ppm2 7.019 CV 1 OR { 4467} (( segid "A " and resid 45 and name HB )) (( segid "A " and resid 64 and name HD2 )) ASSI { 4475} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 64 and name HD2 )) 3.800 1.800 1.800 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.77324E-03 ppm1 3.793 ppm2 7.019 CV 1 OR { 4475} (( segid "A " and resid 66 and name HA )) (( segid "A " and resid 64 and name HD2 )) ASSI { 4480} (( segid "A " and resid 64 and name HB2 )) (( segid "A " and resid 64 and name HD2 )) 2.700 0.900 0.900 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 2.934 ppm2 7.019 CV 1 OR { 4480} (( segid "A " and resid 44 and name HB3 )) (( segid "A " and resid 64 and name HD2 )) ASSI { 4505} (( segid "A " and resid 102 and name HB2 )) (( segid "B " and resid 11 and name HZ )) 3.700 1.700 1.700 peak 4505 spectrum 1 weight 0.10000E+01 volume 0.17982E-02 ppm1 0.778 ppm2 7.025 CV 1 OR { 4505} ( segid "A " and resid 15 and name HG1%) (( segid "A " and resid 11 and name HZ )) OR { 4505} ( segid "A " and resid 87 and name HG2%) (( segid "B " and resid 11 and name HZ )) ASSI { 4512} (( segid "A " and resid 97 and name HB3 )) (( segid "B " and resid 11 and name HZ )) 3.100 1.200 1.200 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 1.952 ppm2 7.025 CV 1 OR { 4512} (( segid "A " and resid 14 and name HB2 )) (( segid "A " and resid 11 and name HZ )) ASSI { 4513} ( segid "A " and resid 87 and name HG1%) (( segid "B " and resid 11 and name HZ )) 4.300 2.400 1.700 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 0.859 ppm2 7.025 CV 1 OR { 4513} ( segid "A " and resid 45 and name HG1%) (( segid "B " and resid 11 and name HZ )) ASSI { 4515} ( segid "A " and resid 97 and name HD2%) (( segid "B " and resid 11 and name HZ )) 4.100 2.100 1.900 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.96199E-03 ppm1 0.722 ppm2 7.025 CV 1 OR { 4515} ( segid "A " and resid 79 and name HD1%) (( segid "B " and resid 11 and name HZ )) ASSI { 4528} (( segid "A " and resid 57 and name HA )) (( segid "A " and resid 120 and name HZ2 )) 3.800 1.800 1.800 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.80581E-03 ppm1 4.017 ppm2 7.031 CV 1 OR { 4528} (( segid "A " and resid 27 and name HD3 )) (( segid "A " and resid 120 and name HZ3 )) ASSI { 4533} ( segid "A " and resid 25 and name HD1%) (( segid "A " and resid 120 and name HZ3 )) 4.400 2.400 1.600 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.67887E-03 ppm1 0.579 ppm2 7.031 CV 1 OR { 4533} ( segid "A " and resid 33 and name HD1%) (( segid "A " and resid 120 and name HZ3 )) ASSI { 4534} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 120 and name HZ2 )) 4.100 2.100 1.900 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.99402E-03 ppm1 3.859 ppm2 7.031 CV 1 OR { 4534} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 120 and name HZ3 )) OR { 4534} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 120 and name HZ2 )) OR { 4534} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 120 and name HZ3 )) ASSI { 4535} (( segid "A " and resid 79 and name HA )) ( segid "A " and resid 107 and name HE% ) 4.200 2.200 1.800 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.87039E-03 ppm1 4.261 ppm2 7.084 CV 1 OR { 4535} (( segid "A " and resid 4 and name HA2 )) ( segid "B " and resid 107 and name HE% ) ASSI { 4538} (( segid "A " and resid 81 and name HA )) ( segid "A " and resid 107 and name HE% ) 3.500 1.600 1.600 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.12943E-02 ppm1 3.549 ppm2 7.084 CV 1 OR { 4538} (( segid "A " and resid 99 and name HA1 )) ( segid "A " and resid 107 and name HE% ) ASSI { 4544} (( segid "A " and resid 105 and name HB3 )) ( segid "A " and resid 107 and name HE% ) 4.300 2.300 1.700 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.87204E-03 ppm1 3.493 ppm2 7.084 CV 1 OR { 4544} (( segid "A " and resid 74 and name HA )) ( segid "A " and resid 107 and name HE% ) ASSI { 4546} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 107 and name HE% ) 5.000 3.100 1.000 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.54287E-03 ppm1 0.549 ppm2 7.084 CV 1 OR { 4546} (( segid "A " and resid 74 and name HB2 )) ( segid "A " and resid 107 and name HE% ) ASSI { 4547} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 107 and name HE% ) 3.100 1.200 1.200 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.27976E-02 ppm1 0.157 ppm2 7.084 CV 1 OR { 4547} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 107 and name HE% ) ASSI { 4550} (( segid "A " and resid 34 and name HB2 )) ( segid "A " and resid 31 and name HD% ) 3.000 1.100 1.100 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.26592E-02 ppm1 1.622 ppm2 7.090 CV 1 OR { 4550} ( segid "A " and resid 30 and name HB% ) ( segid "A " and resid 31 and name HD% ) ASSI { 4553} (( segid "A " and resid 34 and name HB3 )) ( segid "A " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.14593E-02 ppm1 1.886 ppm2 7.090 CV 1 OR { 4553} (( segid "A " and resid 35 and name HG2 )) ( segid "A " and resid 31 and name HD% ) ASSI { 4555} (( segid "A " and resid 126 and name HG2 )) ( segid "A " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.79918E-03 ppm1 1.952 ppm2 7.090 CV 1 OR { 4555} (( segid "A " and resid 35 and name HG3 )) ( segid "A " and resid 31 and name HD% ) ASSI { 4558} (( segid "A " and resid 34 and name HB3 )) ( segid "A " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 1.861 ppm2 7.090 CV 1 OR { 4558} (( segid "A " and resid 35 and name HG2 )) ( segid "A " and resid 31 and name HD% ) OR { 4558} (( segid "A " and resid 32 and name HB2 )) ( segid "A " and resid 31 and name HD% ) ASSI { 4567} (( segid "A " and resid 57 and name HB2 )) ( segid "A " and resid 31 and name HD% ) 4.700 2.800 1.300 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.54988E-03 ppm1 0.254 ppm2 7.090 CV 1 OR { 4567} ( segid "A " and resid 42 and name HD1%) ( segid "A " and resid 31 and name HD% ) ASSI { 4574} (( segid "A " and resid 42 and name HB3 )) ( segid "A " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.13953E-02 ppm1 1.693 ppm2 7.090 CV 1 OR { 4574} (( segid "A " and resid 28 and name HB3 )) ( segid "A " and resid 31 and name HD% ) OR { 4574} (( segid "A " and resid 28 and name HB2 )) ( segid "A " and resid 31 and name HD% ) ASSI { 4590} (( segid "A " and resid 70 and name HB3 )) ( segid "B " and resid 11 and name HE% ) 3.300 1.400 1.400 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.50396E-02 ppm1 1.678 ppm2 7.172 CV 1 OR { 4590} (( segid "A " and resid 74 and name HB3 )) ( segid "B " and resid 11 and name HE% ) ASSI { 4592} ( segid "A " and resid 79 and name HD1%) ( segid "B " and resid 11 and name HE% ) 4.100 2.100 1.900 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 0.722 ppm2 7.172 CV 1 OR { 4592} ( segid "A " and resid 97 and name HD2%) ( segid "B " and resid 11 and name HE% ) ASSI { 4593} (( segid "A " and resid 70 and name HG )) ( segid "B " and resid 11 and name HE% ) 2.600 0.900 0.900 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.40339E-02 ppm1 1.012 ppm2 7.172 CV 1 OR { 4593} ( segid "A " and resid 97 and name HD1%) ( segid "B " and resid 11 and name HE% ) ASSI { 4595} ( segid "A " and resid 10 and name HG2%) ( segid "A " and resid 11 and name HD% ) 5.200 3.300 0.800 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.48519E-03 ppm1 0.493 ppm2 7.371 CV 1 OR { 4595} ( segid "A " and resid 43 and name HD1%) ( segid "B " and resid 11 and name HD% ) ASSI { 4598} (( segid "A " and resid 102 and name HB3 )) ( segid "B " and resid 11 and name HD% ) 4.600 2.700 1.400 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.67389E-03 ppm1 1.815 ppm2 7.371 CV 1 OR { 4598} (( segid "A " and resid 12 and name HB3 )) ( segid "A " and resid 11 and name HD% ) ASSI { 4599} (( segid "A " and resid 12 and name HB3 )) ( segid "A " and resid 11 and name HD% ) 4.600 2.700 1.400 peak 4599 spectrum 1 weight 0.10000E+01 volume 0.50656E-03 ppm1 1.835 ppm2 7.371 CV 1 OR { 4599} (( segid "A " and resid 6 and name HB2 )) ( segid "A " and resid 11 and name HD% ) ASSI { 4605} (( segid "A " and resid 74 and name HB3 )) ( segid "B " and resid 11 and name HD% ) 3.800 1.800 1.800 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 1.668 ppm2 7.371 CV 1 OR { 4605} (( segid "A " and resid 70 and name HB3 )) ( segid "B " and resid 11 and name HD% ) OR { 4605} ( segid "A " and resid 75 and name HB% ) ( segid "B " and resid 11 and name HD% ) ASSI { 4607} (( segid "A " and resid 12 and name HA )) ( segid "A " and resid 11 and name HD% ) 3.100 1.200 1.200 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.18484E-02 ppm1 3.422 ppm2 7.371 CV 1 OR { 4607} (( segid "A " and resid 7 and name HB3 )) ( segid "A " and resid 11 and name HD% ) ASSI { 4616} (( segid "A " and resid 8 and name HB2 )) ( segid "A " and resid 11 and name HD% ) 5.900 4.300 0.100 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.26106E-03 ppm1 2.878 ppm2 7.371 CV 1 OR { 4616} (( segid "A " and resid 14 and name HG3 )) ( segid "A " and resid 11 and name HD% ) ASSI { 4629} (( segid "A " and resid 119 and name HA )) (( segid "A " and resid 119 and name HN )) 2.500 0.800 0.800 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.42305E-02 ppm1 4.307 ppm2 7.436 CV 1 OR { 4629} (( segid "A " and resid 10 and name HB )) ( segid "B " and resid 105 and name HD% ) ASSI { 4632} ( segid "A " and resid 74 and name HD2%) ( segid "A " and resid 105 and name HD% ) 4.200 2.200 1.800 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.54403E-03 ppm1 0.157 ppm2 7.436 CV 1 OR { 4632} ( segid "A " and resid 102 and name HD1%) ( segid "A " and resid 105 and name HD% ) ASSI { 4638} (( segid "A " and resid 115 and name HA2 )) (( segid "A " and resid 119 and name HN )) 3.700 1.700 1.700 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.13936E-02 ppm1 4.078 ppm2 7.436 CV 1 OR { 4638} (( segid "A " and resid 101 and name HA )) ( segid "A " and resid 105 and name HD% ) ASSI { 4643} (( segid "A " and resid 102 and name HG )) ( segid "B " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 1.596 ppm2 7.454 CV 1 OR { 4643} (( segid "A " and resid 6 and name HD3 )) ( segid "A " and resid 7 and name HD% ) OR { 4643} ( segid "A " and resid 9 and name HB% ) ( segid "A " and resid 7 and name HD% ) ASSI { 4652} (( segid "A " and resid 6 and name HG2 )) ( segid "A " and resid 7 and name HD% ) 4.200 2.300 1.800 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.83562E-03 ppm1 1.383 ppm2 7.454 CV 1 OR { 4652} (( segid "A " and resid 79 and name HG )) ( segid "B " and resid 7 and name HD% ) ASSI { 4653} (( segid "A " and resid 3 and name HB3 )) ( segid "A " and resid 7 and name HD% ) 3.100 1.200 1.200 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.33800E-02 ppm1 1.663 ppm2 7.454 CV 1 OR { 4653} (( segid "A " and resid 74 and name HB3 )) ( segid "B " and resid 7 and name HD% ) OR { 4653} ( segid "A " and resid 75 and name HB% ) ( segid "B " and resid 7 and name HD% ) ASSI { 4660} (( segid "A " and resid 4 and name HA2 )) ( segid "A " and resid 7 and name HD% ) 3.400 1.500 1.500 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.31924E-02 ppm1 4.226 ppm2 7.459 CV 1 OR { 4660} (( segid "A " and resid 6 and name HA )) ( segid "A " and resid 7 and name HD% ) ASSI { 4663} (( segid "A " and resid 74 and name HB2 )) ( segid "B " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.16298E-02 ppm1 0.554 ppm2 7.459 CV 1 OR { 4663} ( segid "A " and resid 70 and name HD1%) ( segid "B " and resid 7 and name HD% ) ASSI { 4680} ( segid "A " and resid 102 and name HD2%) ( segid "B " and resid 7 and name HE% ) 3.000 1.100 1.100 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.32154E-02 ppm1 -0.092 ppm2 7.571 CV 1 OR { 4680} ( segid "A " and resid 74 and name HD1%) ( segid "B " and resid 7 and name HE% ) OR { 4680} ( segid "A " and resid 102 and name HD2%) ( segid "A " and resid 107 and name HD% ) ASSI { 4682} (( segid "A " and resid 97 and name HB3 )) (( segid "A " and resid 96 and name HN )) 4.200 2.200 1.800 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 1.927 ppm2 7.571 CV 1 OR { 4682} (( segid "A " and resid 83 and name HB2 )) ( segid "A " and resid 107 and name HD% ) OR { 4682} ( segid "A " and resid 3 and name HE% ) ( segid "A " and resid 7 and name HE% ) OR { 4682} (( segid "A " and resid 100 and name HB2 )) (( segid "A " and resid 96 and name HN )) ASSI { 4683} (( segid "A " and resid 103 and name HG3 )) ( segid "A " and resid 107 and name HD% ) 3.900 1.900 1.900 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.14063E-02 ppm1 1.902 ppm2 7.571 CV 1 OR { 4683} (( segid "A " and resid 84 and name HB2 )) ( segid "A " and resid 107 and name HD% ) OR { 4683} (( segid "A " and resid 83 and name HB2 )) ( segid "A " and resid 107 and name HD% ) OR { 4683} ( segid "A " and resid 3 and name HE% ) ( segid "A " and resid 7 and name HE% ) OR { 4683} (( segid "A " and resid 22 and name HB2 )) (( segid "A " and resid 96 and name HN )) ASSI { 4685} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 107 and name HD% ) 4.700 2.800 1.300 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.72742E-03 ppm1 1.963 ppm2 7.571 CV 1 OR { 4685} (( segid "A " and resid 97 and name HB3 )) (( segid "A " and resid 96 and name HN )) OR { 4685} (( segid "A " and resid 100 and name HB2 )) (( segid "A " and resid 96 and name HN )) ASSI { 4686} (( segid "A " and resid 3 and name HB3 )) ( segid "A " and resid 7 and name HE% ) 2.800 1.000 1.000 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.52543E-02 ppm1 1.688 ppm2 7.571 CV 1 OR { 4686} (( segid "A " and resid 74 and name HB3 )) ( segid "B " and resid 7 and name HE% ) OR { 4686} (( segid "A " and resid 97 and name HB2 )) (( segid "A " and resid 96 and name HN )) OR { 4686} (( segid "A " and resid 3 and name HB2 )) ( segid "A " and resid 7 and name HE% ) ASSI { 4693} (( segid "A " and resid 105 and name HB3 )) ( segid "A " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.24814E-02 ppm1 3.493 ppm2 7.571 CV 1 OR { 4693} (( segid "A " and resid 74 and name HA )) ( segid "B " and resid 7 and name HE% ) OR { 4693} (( segid "A " and resid 112 and name HB3 )) (( segid "A " and resid 96 and name HN )) ASSI { 4694} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 8.365 ppm2 7.571 CV 1 OR { 4694} (( segid "A " and resid 7 and name HN )) ( segid "A " and resid 7 and name HE% ) ASSI { 4695} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 96 and name HN )) 4.800 2.900 1.200 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.55110E-03 ppm1 7.714 ppm2 7.571 CV 1 OR { 4695} (( segid "A " and resid 74 and name HN )) ( segid "B " and resid 7 and name HE% ) ASSI { 4698} (( segid "A " and resid 106 and name HA2 )) ( segid "A " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 4.337 ppm2 7.571 CV 1 OR { 4698} (( segid "A " and resid 105 and name HA )) ( segid "A " and resid 107 and name HD% ) ASSI { 4699} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 96 and name HN )) 3.100 1.200 1.200 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.20592E-02 ppm1 3.697 ppm2 7.571 CV 1 OR { 4699} (( segid "A " and resid 106 and name HA1 )) ( segid "A " and resid 107 and name HD% ) OR { 4699} (( segid "A " and resid 81 and name HD2 )) ( segid "B " and resid 7 and name HE% ) ASSI { 4700} (( segid "A " and resid 108 and name HB2 )) ( segid "A " and resid 107 and name HD% ) 3.400 1.500 1.500 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.19604E-02 ppm1 1.851 ppm2 7.571 CV 1 OR { 4700} (( segid "A " and resid 6 and name HB2 )) ( segid "A " and resid 7 and name HE% ) OR { 4700} (( segid "A " and resid 108 and name HB3 )) ( segid "A " and resid 107 and name HD% ) OR { 4700} (( segid "A " and resid 87 and name HB )) (( segid "A " and resid 96 and name HN )) ASSI { 4702} (( segid "A " and resid 4 and name HA2 )) ( segid "A " and resid 7 and name HE% ) 4.000 2.000 2.000 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 4.261 ppm2 7.571 CV 1 OR { 4702} (( segid "A " and resid 79 and name HA )) ( segid "B " and resid 7 and name HE% ) ASSI { 4703} (( segid "A " and resid 74 and name HB2 )) ( segid "B " and resid 7 and name HE% ) 4.800 2.800 1.200 peak 4703 spectrum 1 weight 0.10000E+01 volume 0.72853E-03 ppm1 0.554 ppm2 7.571 CV 1 OR { 4703} ( segid "A " and resid 70 and name HD1%) ( segid "B " and resid 7 and name HE% ) ASSI { 4704} (( segid "A " and resid 81 and name HA )) ( segid "A " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.29124E-02 ppm1 3.549 ppm2 7.571 CV 1 OR { 4704} (( segid "A " and resid 81 and name HA )) ( segid "B " and resid 7 and name HE% ) OR { 4704} (( segid "A " and resid 99 and name HA1 )) ( segid "A " and resid 107 and name HD% ) ASSI { 4705} (( segid "A " and resid 82 and name HG3 )) ( segid "B " and resid 7 and name HE% ) 4.300 2.300 1.700 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.65954E-03 ppm1 2.324 ppm2 7.571 CV 1 OR { 4705} (( segid "A " and resid 45 and name HB )) (( segid "A " and resid 96 and name HN )) OR { 4705} (( segid "A " and resid 82 and name HG3 )) ( segid "A " and resid 107 and name HD% ) OR { 4705} (( segid "A " and resid 5 and name HG2 )) ( segid "A " and resid 7 and name HE% ) OR { 4705} (( segid "A " and resid 104 and name HG2 )) ( segid "A " and resid 107 and name HD% ) ASSI { 4708} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.32717E-02 ppm1 0.788 ppm2 7.571 CV 1 OR { 4708} ( segid "A " and resid 110 and name HD1%) ( segid "A " and resid 107 and name HD% ) OR { 4708} (( segid "A " and resid 102 and name HB2 )) ( segid "A " and resid 107 and name HD% ) ASSI { 4709} ( segid "A " and resid 85 and name HG2%) ( segid "A " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.30015E-02 ppm1 0.757 ppm2 7.571 CV 1 OR { 4709} ( segid "A " and resid 79 and name HD1%) ( segid "B " and resid 7 and name HE% ) OR { 4709} ( segid "A " and resid 110 and name HD1%) ( segid "A " and resid 107 and name HD% ) ASSI { 4710} (( segid "A " and resid 102 and name HA )) ( segid "A " and resid 107 and name HD% ) 3.300 1.400 1.400 peak 4710 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 3.804 ppm2 7.571 CV 1 OR { 4710} (( segid "A " and resid 102 and name HA )) ( segid "B " and resid 7 and name HE% ) ASSI { 4711} ( segid "A " and resid 79 and name HD2%) ( segid "A " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.18136E-02 ppm1 0.900 ppm2 7.571 CV 1 OR { 4711} ( segid "A " and resid 79 and name HD2%) ( segid "B " and resid 7 and name HE% ) OR { 4711} (( segid "A " and resid 81 and name HB2 )) ( segid "B " and resid 7 and name HE% ) ASSI { 4712} ( segid "A " and resid 79 and name HD2%) ( segid "A " and resid 107 and name HD% ) 3.900 1.900 1.900 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 0.869 ppm2 7.571 CV 1 OR { 4712} ( segid "A " and resid 79 and name HD2%) ( segid "B " and resid 7 and name HE% ) ASSI { 4717} ( segid "A " and resid 85 and name HG1%) (( segid "A " and resid 108 and name HN )) 4.200 2.200 1.800 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.54674E-03 ppm1 1.052 ppm2 7.612 CV 1 OR { 4717} ( segid "A " and resid 109 and name HG2%) (( segid "A " and resid 108 and name HN )) ASSI { 4720} (( segid "A " and resid 83 and name HB2 )) (( segid "A " and resid 108 and name HN )) 4.000 2.000 2.000 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.90129E-03 ppm1 1.927 ppm2 7.612 CV 1 OR { 4720} (( segid "A " and resid 82 and name HB2 )) (( segid "A " and resid 108 and name HN )) ASSI { 4754} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 64 and name HE1 )) 3.100 1.200 1.200 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.29606E-02 ppm1 5.039 ppm2 7.988 CV 1 OR { 4754} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HE1 )) ASSI { 4152} ( segid "B " and resid 110 and name HG2%) (( segid "B " and resid 111 and name HA )) 3.800 1.800 1.800 peak 4152 spectrum 1 weight 0.10000E+01 volume 0.66672E-03 ppm1 0.783 ppm2 5.775 CV 1 OR { 4152} ( segid "B " and resid 87 and name HG2%) (( segid "B " and resid 111 and name HA )) OR { 4152} ( segid "B " and resid 86 and name HG1%) (( segid "B " and resid 111 and name HA )) ASSI { 4175} ( segid "B " and resid 59 and name HG2%) ( segid "B " and resid 62 and name HE% ) 4.300 2.400 1.700 peak 4175 spectrum 1 weight 0.10000E+01 volume 0.57953E-03 ppm1 0.681 ppm2 6.527 CV 1 OR { 4175} ( segid "B " and resid 45 and name HG2%) ( segid "B " and resid 62 and name HE% ) ASSI { 4177} (( segid "B " and resid 56 and name HB3 )) ( segid "B " and resid 62 and name HE% ) 3.900 1.900 1.900 peak 4177 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 1.307 ppm2 6.527 CV 1 OR { 4177} (( segid "B " and resid 128 and name HB2 )) ( segid "B " and resid 62 and name HE% ) OR { 4177} (( segid "B " and resid 51 and name HG )) ( segid "B " and resid 62 and name HE% ) ASSI { 4206} (( segid "B " and resid 121 and name HB3 )) (( segid "B " and resid 120 and name HD1 )) 4.600 2.700 1.400 peak 4206 spectrum 1 weight 0.10000E+01 volume 0.60601E-03 ppm1 2.161 ppm2 6.585 CV 1 OR { 4206} (( segid "B " and resid 126 and name HG3 )) (( segid "B " and resid 120 and name HD1 )) ASSI { 4209} (( segid "B " and resid 117 and name HA )) (( segid "B " and resid 120 and name HD1 )) 4.700 2.800 1.300 peak 4209 spectrum 1 weight 0.10000E+01 volume 0.39987E-03 ppm1 4.322 ppm2 6.585 CV 1 OR { 4209} (( segid "B " and resid 55 and name HA2 )) (( segid "B " and resid 120 and name HD1 )) ASSI { 4230} (( segid "B " and resid 40 and name HG13)) ( segid "B " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4230 spectrum 1 weight 0.10000E+01 volume 0.81134E-03 ppm1 1.739 ppm2 6.697 CV 1 OR { 4230} (( segid "B " and resid 33 and name HB3 )) ( segid "B " and resid 111 and name HE% ) OR { 4230} (( segid "B " and resid 34 and name HG )) ( segid "B " and resid 111 and name HE% ) ASSI { 4232} (( segid "B " and resid 120 and name HA )) ( segid "B " and resid 88 and name HE% ) 4.800 2.900 1.200 peak 4232 spectrum 1 weight 0.10000E+01 volume 0.44282E-03 ppm1 3.783 ppm2 6.697 CV 1 OR { 4232} (( segid "B " and resid 115 and name HA1 )) ( segid "B " and resid 88 and name HE% ) ASSI { 4233} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 88 and name HE% ) 4.400 2.400 1.600 peak 4233 spectrum 1 weight 0.10000E+01 volume 0.86874E-03 ppm1 0.249 ppm2 6.697 CV 1 OR { 4233} (( segid "B " and resid 57 and name HB2 )) ( segid "B " and resid 88 and name HE% ) OR { 4233} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 111 and name HE% ) ASSI { 4235} (( segid "B " and resid 40 and name HG12)) ( segid "B " and resid 111 and name HE% ) 3.500 1.500 1.500 peak 4235 spectrum 1 weight 0.10000E+01 volume 0.17844E-02 ppm1 0.945 ppm2 6.703 CV 1 OR { 4235} ( segid "B " and resid 25 and name HD2%) ( segid "B " and resid 111 and name HE% ) ASSI { 4239} ( segid "B " and resid 33 and name HD1%) ( segid "B " and resid 111 and name HE% ) 3.100 1.200 1.200 peak 4239 spectrum 1 weight 0.10000E+01 volume 0.18837E-02 ppm1 0.564 ppm2 6.703 CV 1 OR { 4239} ( segid "B " and resid 25 and name HD1%) ( segid "B " and resid 111 and name HE% ) ASSI { 4241} (( segid "B " and resid 84 and name HB2 )) ( segid "B " and resid 111 and name HE% ) 3.300 1.300 1.300 peak 4241 spectrum 1 weight 0.10000E+01 volume 0.80029E-03 ppm1 1.912 ppm2 6.703 CV 1 OR { 4241} (( segid "B " and resid 86 and name HB )) ( segid "B " and resid 111 and name HE% ) ASSI { 4255} (( segid "B " and resid 40 and name HB )) ( segid "B " and resid 111 and name HE% ) 4.500 2.600 1.500 peak 4255 spectrum 1 weight 0.10000E+01 volume 0.97526E-03 ppm1 1.825 ppm2 6.703 CV 1 OR { 4255} (( segid "B " and resid 25 and name HB3 )) ( segid "B " and resid 111 and name HE% ) OR { 4255} (( segid "B " and resid 108 and name HB3 )) ( segid "B " and resid 111 and name HE% ) ASSI { 4257} (( segid "B " and resid 25 and name HB2 )) ( segid "B " and resid 111 and name HE% ) 4.300 2.300 1.700 peak 4257 spectrum 1 weight 0.10000E+01 volume 0.95040E-03 ppm1 1.632 ppm2 6.703 CV 1 OR { 4257} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 111 and name HE% ) ASSI { 4260} ( segid "B " and resid 40 and name HD1%) ( segid "B " and resid 111 and name HE% ) 3.000 1.200 1.200 peak 4260 spectrum 1 weight 0.10000E+01 volume 0.26570E-02 ppm1 0.783 ppm2 6.703 CV 1 OR { 4260} ( segid "B " and resid 86 and name HG1%) ( segid "B " and resid 111 and name HE% ) OR { 4260} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 111 and name HE% ) ASSI { 4262} ( segid "B " and resid 23 and name HG2%) ( segid "B " and resid 111 and name HE% ) 3.700 1.700 1.700 peak 4262 spectrum 1 weight 0.10000E+01 volume 0.19361E-02 ppm1 0.818 ppm2 6.703 CV 1 OR { 4262} ( segid "B " and resid 86 and name HG2%) ( segid "B " and resid 111 and name HE% ) ASSI { 4264} (( segid "B " and resid 84 and name HG2 )) ( segid "B " and resid 111 and name HE% ) 3.200 1.200 1.200 peak 4264 spectrum 1 weight 0.10000E+01 volume 0.24594E-02 ppm1 2.059 ppm2 6.703 CV 1 OR { 4264} (( segid "B " and resid 23 and name HB )) ( segid "B " and resid 111 and name HE% ) ASSI { 4278} (( segid "B " and resid 42 and name HG )) ( segid "B " and resid 62 and name HD% ) 3.900 1.900 1.900 peak 4278 spectrum 1 weight 0.10000E+01 volume 0.54057E-03 ppm1 1.281 ppm2 6.744 CV 1 OR { 4278} (( segid "B " and resid 63 and name HG3 )) ( segid "B " and resid 62 and name HD% ) OR { 4278} (( segid "B " and resid 43 and name HG13)) ( segid "B " and resid 62 and name HD% ) ASSI { 4279} (( segid "B " and resid 57 and name HB3 )) ( segid "B " and resid 62 and name HD% ) 4.600 2.700 1.400 peak 4279 spectrum 1 weight 0.10000E+01 volume 0.51097E-03 ppm1 0.793 ppm2 6.744 CV 1 OR { 4279} ( segid "B " and resid 41 and name HG2%) ( segid "B " and resid 62 and name HD% ) OR { 4279} ( segid "B " and resid 34 and name HD2%) ( segid "B " and resid 62 and name HD% ) ASSI { 4281} (( segid "B " and resid 56 and name HD3 )) ( segid "B " and resid 62 and name HD% ) 3.900 1.900 1.900 peak 4281 spectrum 1 weight 0.10000E+01 volume 0.10050E-02 ppm1 1.174 ppm2 6.744 CV 1 OR { 4281} (( segid "B " and resid 57 and name HG3 )) ( segid "B " and resid 62 and name HD% ) OR { 4281} (( segid "B " and resid 56 and name HB2 )) ( segid "B " and resid 62 and name HD% ) ASSI { 4289} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 62 and name HD% ) 4.400 2.400 1.600 peak 4289 spectrum 1 weight 0.10000E+01 volume 0.79257E-03 ppm1 0.935 ppm2 6.744 CV 1 OR { 4289} (( segid "B " and resid 56 and name HG2 )) ( segid "B " and resid 62 and name HD% ) ASSI { 4292} (( segid "B " and resid 63 and name HD2 )) ( segid "B " and resid 62 and name HD% ) 4.300 2.400 1.700 peak 4292 spectrum 1 weight 0.10000E+01 volume 0.54912E-03 ppm1 1.510 ppm2 6.744 CV 1 OR { 4292} (( segid "B " and resid 42 and name HB2 )) ( segid "B " and resid 62 and name HD% ) ASSI { 4294} (( segid "B " and resid 42 and name HG )) ( segid "B " and resid 62 and name HD% ) 3.700 1.700 1.700 peak 4294 spectrum 1 weight 0.10000E+01 volume 0.87204E-03 ppm1 1.312 ppm2 6.744 CV 1 OR { 4294} (( segid "B " and resid 63 and name HG3 )) ( segid "B " and resid 62 and name HD% ) OR { 4294} (( segid "B " and resid 43 and name HG13)) ( segid "B " and resid 62 and name HD% ) OR { 4294} (( segid "B " and resid 128 and name HB2 )) ( segid "B " and resid 62 and name HD% ) ASSI { 4303} ( segid "B " and resid 102 and name HD2%) (( segid "A " and resid 7 and name HZ )) 3.600 1.600 1.600 peak 4303 spectrum 1 weight 0.10000E+01 volume 0.17728E-02 ppm1 -0.077 ppm2 6.832 CV 1 OR { 4303} ( segid "B " and resid 74 and name HD1%) (( segid "A " and resid 7 and name HZ )) ASSI { 4306} ( segid "B " and resid 75 and name HB% ) (( segid "A " and resid 7 and name HZ )) 3.500 1.500 1.500 peak 4306 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 1.637 ppm2 6.832 CV 1 OR { 4306} (( segid "B " and resid 74 and name HB3 )) (( segid "A " and resid 7 and name HZ )) ASSI { 4307} (( segid "B " and resid 4 and name HA2 )) (( segid "B " and resid 7 and name HZ )) 4.000 2.000 2.000 peak 4307 spectrum 1 weight 0.10000E+01 volume 0.79698E-03 ppm1 4.261 ppm2 6.832 CV 1 OR { 4307} (( segid "B " and resid 79 and name HA )) (( segid "A " and resid 7 and name HZ )) ASSI { 4315} (( segid "B " and resid 74 and name HG )) (( segid "A " and resid 7 and name HZ )) 4.200 2.200 1.800 peak 4315 spectrum 1 weight 0.10000E+01 volume 0.58118E-03 ppm1 1.490 ppm2 6.838 CV 1 OR { 4315} (( segid "B " and resid 42 and name HB2 )) (( segid "B " and resid 120 and name HH2 )) ASSI { 4319} (( segid "B " and resid 35 and name HG2 )) ( segid "B " and resid 31 and name HE% ) 2.700 0.900 0.900 peak 4319 spectrum 1 weight 0.10000E+01 volume 0.51186E-02 ppm1 1.861 ppm2 6.849 CV 1 OR { 4319} (( segid "B " and resid 34 and name HB3 )) ( segid "B " and resid 31 and name HE% ) OR { 4319} (( segid "B " and resid 35 and name HB2 )) ( segid "B " and resid 31 and name HE% ) ASSI { 4321} (( segid "B " and resid 59 and name HB )) ( segid "B " and resid 31 and name HE% ) 3.500 1.600 1.600 peak 4321 spectrum 1 weight 0.10000E+01 volume 0.11833E-02 ppm1 2.446 ppm2 6.849 CV 1 OR { 4321} (( segid "B " and resid 126 and name HB3 )) ( segid "B " and resid 31 and name HE% ) ASSI { 4333} (( segid "B " and resid 125 and name HA )) ( segid "B " and resid 31 and name HE% ) 4.100 2.100 1.900 peak 4333 spectrum 1 weight 0.10000E+01 volume 0.71199E-03 ppm1 3.865 ppm2 6.849 CV 1 OR { 4333} (( segid "B " and resid 35 and name HA )) ( segid "B " and resid 31 and name HE% ) ASSI { 4338} (( segid "B " and resid 59 and name HB )) ( segid "B " and resid 31 and name HE% ) 3.500 1.600 1.600 peak 4338 spectrum 1 weight 0.10000E+01 volume 0.98739E-03 ppm1 2.481 ppm2 6.849 CV 1 OR { 4338} (( segid "B " and resid 126 and name HD2 )) ( segid "B " and resid 31 and name HE% ) ASSI { 4369} (( segid "B " and resid 42 and name HG )) ( segid "B " and resid 88 and name HD% ) 3.800 1.800 1.800 peak 4369 spectrum 1 weight 0.10000E+01 volume 0.14096E-02 ppm1 1.317 ppm2 6.931 CV 1 OR { 4369} (( segid "B " and resid 56 and name HB3 )) ( segid "B " and resid 88 and name HD% ) ASSI { 4374} ( segid "B " and resid 34 and name HD1%) ( segid "B " and resid 88 and name HD% ) 4.100 2.100 1.900 peak 4374 spectrum 1 weight 0.10000E+01 volume 0.76717E-03 ppm1 0.945 ppm2 6.931 CV 1 OR { 4374} (( segid "B " and resid 56 and name HG2 )) ( segid "B " and resid 88 and name HD% ) ASSI { 4378} (( segid "B " and resid 27 and name HD3 )) ( segid "B " and resid 88 and name HD% ) 4.000 2.000 2.000 peak 4378 spectrum 1 weight 0.10000E+01 volume 0.36229E-03 ppm1 4.017 ppm2 6.931 CV 1 OR { 4378} (( segid "B " and resid 57 and name HA )) ( segid "B " and resid 88 and name HD% ) ASSI { 4382} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 88 and name HD% ) 3.400 1.400 1.400 peak 4382 spectrum 1 weight 0.10000E+01 volume 0.27843E-02 ppm1 0.259 ppm2 6.931 CV 1 OR { 4382} (( segid "B " and resid 57 and name HB2 )) ( segid "B " and resid 88 and name HD% ) ASSI { 4417} ( segid "B " and resid 13 and name HB% ) ( segid "A " and resid 105 and name HE% ) 3.400 1.400 1.400 peak 4417 spectrum 1 weight 0.10000E+01 volume 0.21895E-02 ppm1 1.525 ppm2 6.967 CV 1 OR { 4417} (( segid "B " and resid 74 and name HG )) ( segid "B " and resid 105 and name HE% ) ASSI { 4419} (( segid "B " and resid 104 and name HG3 )) ( segid "B " and resid 105 and name HE% ) 5.000 3.100 1.000 peak 4419 spectrum 1 weight 0.10000E+01 volume 0.44569E-03 ppm1 2.568 ppm2 6.972 CV 1 OR { 4419} (( segid "B " and resid 29 and name HB2 )) ( segid "B " and resid 111 and name HD% ) ASSI { 4426} (( segid "B " and resid 85 and name HN )) ( segid "B " and resid 111 and name HD% ) 3.700 1.700 1.700 peak 4426 spectrum 1 weight 0.10000E+01 volume 0.60547E-03 ppm1 7.791 ppm2 6.972 CV 1 OR { 4426} (( segid "B " and resid 101 and name HN )) ( segid "B " and resid 105 and name HE% ) ASSI { 4434} (( segid "B " and resid 34 and name HG )) ( segid "B " and resid 111 and name HD% ) 3.800 1.800 1.800 peak 4434 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 1.754 ppm2 6.972 CV 1 OR { 4434} (( segid "B " and resid 33 and name HB3 )) ( segid "B " and resid 111 and name HD% ) OR { 4434} (( segid "B " and resid 103 and name HG2 )) ( segid "B " and resid 105 and name HE% ) ASSI { 4436} (( segid "B " and resid 104 and name HA )) ( segid "B " and resid 105 and name HE% ) 4.700 2.700 1.300 peak 4436 spectrum 1 weight 0.10000E+01 volume 0.40754E-03 ppm1 4.129 ppm2 6.972 CV 1 OR { 4436} (( segid "B " and resid 13 and name HA )) ( segid "A " and resid 105 and name HE% ) OR { 4436} (( segid "B " and resid 9 and name HA )) ( segid "A " and resid 105 and name HE% ) OR { 4436} (( segid "B " and resid 84 and name HD3 )) ( segid "B " and resid 111 and name HD% ) ASSI { 4438} (( segid "B " and resid 110 and name HG12)) ( segid "B " and resid 111 and name HD% ) 5.100 3.200 0.900 peak 4438 spectrum 1 weight 0.10000E+01 volume 0.55031E-03 ppm1 1.312 ppm2 6.972 CV 1 OR { 4438} (( segid "B " and resid 42 and name HG )) ( segid "B " and resid 111 and name HD% ) ASSI { 4442} (( segid "B " and resid 25 and name HA )) ( segid "B " and resid 111 and name HD% ) 4.400 2.500 1.600 peak 4442 spectrum 1 weight 0.10000E+01 volume 0.82070E-03 ppm1 5.065 ppm2 6.978 CV 1 OR { 4442} (( segid "B " and resid 42 and name HA )) ( segid "B " and resid 111 and name HD% ) ASSI { 4460} ( segid "B " and resid 86 and name HG1%) ( segid "B " and resid 111 and name HD% ) 3.000 1.100 1.100 peak 4460 spectrum 1 weight 0.10000E+01 volume 0.40529E-02 ppm1 0.778 ppm2 6.978 CV 1 OR { 4460} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 111 and name HD% ) OR { 4460} ( segid "B " and resid 87 and name HG2%) ( segid "B " and resid 111 and name HD% ) ASSI { 4467} (( segid "B " and resid 44 and name HB2 )) (( segid "B " and resid 64 and name HD2 )) 4.400 2.400 1.600 peak 4467 spectrum 1 weight 0.10000E+01 volume 0.62532E-03 ppm1 2.308 ppm2 7.019 CV 1 OR { 4467} (( segid "B " and resid 45 and name HB )) (( segid "B " and resid 64 and name HD2 )) ASSI { 4475} (( segid "B " and resid 65 and name HA )) (( segid "B " and resid 64 and name HD2 )) 3.800 1.800 1.800 peak 4475 spectrum 1 weight 0.10000E+01 volume 0.77324E-03 ppm1 3.793 ppm2 7.019 CV 1 OR { 4475} (( segid "B " and resid 66 and name HA )) (( segid "B " and resid 64 and name HD2 )) ASSI { 4480} (( segid "B " and resid 64 and name HB2 )) (( segid "B " and resid 64 and name HD2 )) 2.700 0.900 0.900 peak 4480 spectrum 1 weight 0.10000E+01 volume 0.23644E-02 ppm1 2.934 ppm2 7.019 CV 1 OR { 4480} (( segid "B " and resid 44 and name HB3 )) (( segid "B " and resid 64 and name HD2 )) ASSI { 4505} (( segid "B " and resid 102 and name HB2 )) (( segid "A " and resid 11 and name HZ )) 3.700 1.700 1.700 peak 4505 spectrum 1 weight 0.10000E+01 volume 0.17982E-02 ppm1 0.778 ppm2 7.025 CV 1 OR { 4505} ( segid "B " and resid 15 and name HG1%) (( segid "B " and resid 11 and name HZ )) OR { 4505} ( segid "B " and resid 87 and name HG2%) (( segid "A " and resid 11 and name HZ )) ASSI { 4512} (( segid "B " and resid 97 and name HB3 )) (( segid "A " and resid 11 and name HZ )) 3.100 1.200 1.200 peak 4512 spectrum 1 weight 0.10000E+01 volume 0.13125E-02 ppm1 1.952 ppm2 7.025 CV 1 OR { 4512} (( segid "B " and resid 14 and name HB2 )) (( segid "B " and resid 11 and name HZ )) ASSI { 4513} ( segid "B " and resid 87 and name HG1%) (( segid "A " and resid 11 and name HZ )) 4.300 2.400 1.700 peak 4513 spectrum 1 weight 0.10000E+01 volume 0.10509E-02 ppm1 0.859 ppm2 7.025 CV 1 OR { 4513} ( segid "B " and resid 45 and name HG1%) (( segid "A " and resid 11 and name HZ )) ASSI { 4515} ( segid "B " and resid 97 and name HD2%) (( segid "A " and resid 11 and name HZ )) 4.000 2.000 2.000 peak 4515 spectrum 1 weight 0.10000E+01 volume 0.96199E-03 ppm1 0.722 ppm2 7.025 CV 1 OR { 4515} ( segid "B " and resid 79 and name HD1%) (( segid "A " and resid 11 and name HZ )) ASSI { 4528} (( segid "B " and resid 57 and name HA )) (( segid "B " and resid 120 and name HZ2 )) 3.800 1.800 1.800 peak 4528 spectrum 1 weight 0.10000E+01 volume 0.80581E-03 ppm1 4.017 ppm2 7.031 CV 1 OR { 4528} (( segid "B " and resid 27 and name HD3 )) (( segid "B " and resid 120 and name HZ3 )) ASSI { 4533} ( segid "B " and resid 25 and name HD1%) (( segid "B " and resid 120 and name HZ3 )) 4.400 2.400 1.600 peak 4533 spectrum 1 weight 0.10000E+01 volume 0.67887E-03 ppm1 0.579 ppm2 7.031 CV 1 OR { 4533} ( segid "B " and resid 33 and name HD1%) (( segid "B " and resid 120 and name HZ3 )) ASSI { 4534} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 120 and name HZ2 )) 4.100 2.100 1.900 peak 4534 spectrum 1 weight 0.10000E+01 volume 0.99402E-03 ppm1 3.859 ppm2 7.031 CV 1 OR { 4534} (( segid "B " and resid 125 and name HA )) (( segid "B " and resid 120 and name HZ3 )) OR { 4534} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 120 and name HZ2 )) OR { 4534} (( segid "B " and resid 34 and name HA )) (( segid "B " and resid 120 and name HZ3 )) ASSI { 4535} (( segid "B " and resid 79 and name HA )) ( segid "B " and resid 107 and name HE% ) 4.200 2.200 1.800 peak 4535 spectrum 1 weight 0.10000E+01 volume 0.87039E-03 ppm1 4.261 ppm2 7.084 CV 1 OR { 4535} (( segid "B " and resid 4 and name HA2 )) ( segid "A " and resid 107 and name HE% ) ASSI { 4538} (( segid "B " and resid 81 and name HA )) ( segid "B " and resid 107 and name HE% ) 3.500 1.600 1.600 peak 4538 spectrum 1 weight 0.10000E+01 volume 0.12943E-02 ppm1 3.549 ppm2 7.084 CV 1 OR { 4538} (( segid "B " and resid 99 and name HA1 )) ( segid "B " and resid 107 and name HE% ) ASSI { 4544} (( segid "B " and resid 105 and name HB3 )) ( segid "B " and resid 107 and name HE% ) 4.300 2.300 1.700 peak 4544 spectrum 1 weight 0.10000E+01 volume 0.87204E-03 ppm1 3.493 ppm2 7.084 CV 1 OR { 4544} (( segid "B " and resid 74 and name HA )) ( segid "B " and resid 107 and name HE% ) ASSI { 4546} ( segid "B " and resid 70 and name HD1%) ( segid "B " and resid 107 and name HE% ) 5.000 3.100 1.000 peak 4546 spectrum 1 weight 0.10000E+01 volume 0.54287E-03 ppm1 0.549 ppm2 7.084 CV 1 OR { 4546} (( segid "B " and resid 74 and name HB2 )) ( segid "B " and resid 107 and name HE% ) ASSI { 4547} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 107 and name HE% ) 3.100 1.200 1.200 peak 4547 spectrum 1 weight 0.10000E+01 volume 0.27976E-02 ppm1 0.157 ppm2 7.084 CV 1 OR { 4547} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 107 and name HE% ) ASSI { 4550} (( segid "B " and resid 34 and name HB2 )) ( segid "B " and resid 31 and name HD% ) 3.000 1.100 1.100 peak 4550 spectrum 1 weight 0.10000E+01 volume 0.26592E-02 ppm1 1.622 ppm2 7.090 CV 1 OR { 4550} ( segid "B " and resid 30 and name HB% ) ( segid "B " and resid 31 and name HD% ) ASSI { 4553} (( segid "B " and resid 34 and name HB3 )) ( segid "B " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4553 spectrum 1 weight 0.10000E+01 volume 0.14593E-02 ppm1 1.886 ppm2 7.090 CV 1 OR { 4553} (( segid "B " and resid 35 and name HG2 )) ( segid "B " and resid 31 and name HD% ) ASSI { 4555} (( segid "B " and resid 126 and name HG2 )) ( segid "B " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 4555 spectrum 1 weight 0.10000E+01 volume 0.79918E-03 ppm1 1.952 ppm2 7.090 CV 1 OR { 4555} (( segid "B " and resid 35 and name HG3 )) ( segid "B " and resid 31 and name HD% ) ASSI { 4558} (( segid "B " and resid 34 and name HB3 )) ( segid "B " and resid 31 and name HD% ) 3.300 1.400 1.400 peak 4558 spectrum 1 weight 0.10000E+01 volume 0.15901E-02 ppm1 1.861 ppm2 7.090 CV 1 OR { 4558} (( segid "B " and resid 35 and name HG2 )) ( segid "B " and resid 31 and name HD% ) OR { 4558} (( segid "B " and resid 32 and name HB2 )) ( segid "B " and resid 31 and name HD% ) ASSI { 4567} (( segid "B " and resid 57 and name HB2 )) ( segid "B " and resid 31 and name HD% ) 4.700 2.800 1.300 peak 4567 spectrum 1 weight 0.10000E+01 volume 0.54988E-03 ppm1 0.254 ppm2 7.090 CV 1 OR { 4567} ( segid "B " and resid 42 and name HD1%) ( segid "B " and resid 31 and name HD% ) ASSI { 4574} (( segid "B " and resid 42 and name HB3 )) ( segid "B " and resid 31 and name HD% ) 3.800 1.800 1.800 peak 4574 spectrum 1 weight 0.10000E+01 volume 0.13953E-02 ppm1 1.693 ppm2 7.090 CV 1 OR { 4574} (( segid "B " and resid 28 and name HB3 )) ( segid "B " and resid 31 and name HD% ) OR { 4574} (( segid "B " and resid 28 and name HB2 )) ( segid "B " and resid 31 and name HD% ) ASSI { 4590} (( segid "B " and resid 70 and name HB3 )) ( segid "A " and resid 11 and name HE% ) 3.300 1.400 1.400 peak 4590 spectrum 1 weight 0.10000E+01 volume 0.50396E-02 ppm1 1.678 ppm2 7.172 CV 1 OR { 4590} (( segid "B " and resid 74 and name HB3 )) ( segid "A " and resid 11 and name HE% ) ASSI { 4592} ( segid "B " and resid 79 and name HD1%) ( segid "A " and resid 11 and name HE% ) 4.100 2.100 1.900 peak 4592 spectrum 1 weight 0.10000E+01 volume 0.13947E-02 ppm1 0.722 ppm2 7.172 CV 1 OR { 4592} ( segid "B " and resid 97 and name HD2%) ( segid "A " and resid 11 and name HE% ) ASSI { 4593} (( segid "B " and resid 70 and name HG )) ( segid "A " and resid 11 and name HE% ) 2.600 0.900 0.900 peak 4593 spectrum 1 weight 0.10000E+01 volume 0.40339E-02 ppm1 1.012 ppm2 7.172 CV 1 OR { 4593} ( segid "B " and resid 97 and name HD1%) ( segid "A " and resid 11 and name HE% ) ASSI { 4595} ( segid "B " and resid 10 and name HG2%) ( segid "B " and resid 11 and name HD% ) 5.200 3.300 0.800 peak 4595 spectrum 1 weight 0.10000E+01 volume 0.48519E-03 ppm1 0.493 ppm2 7.371 CV 1 OR { 4595} ( segid "B " and resid 43 and name HD1%) ( segid "A " and resid 11 and name HD% ) ASSI { 4598} (( segid "B " and resid 102 and name HB3 )) ( segid "A " and resid 11 and name HD% ) 4.600 2.600 1.400 peak 4598 spectrum 1 weight 0.10000E+01 volume 0.67389E-03 ppm1 1.815 ppm2 7.371 CV 1 OR { 4598} (( segid "B " and resid 12 and name HB3 )) ( segid "B " and resid 11 and name HD% ) ASSI { 4605} (( segid "B " and resid 74 and name HB3 )) ( segid "A " and resid 11 and name HD% ) 3.800 1.800 1.800 peak 4605 spectrum 1 weight 0.10000E+01 volume 0.16629E-02 ppm1 1.668 ppm2 7.371 CV 1 OR { 4605} (( segid "B " and resid 70 and name HB3 )) ( segid "A " and resid 11 and name HD% ) OR { 4605} ( segid "B " and resid 75 and name HB% ) ( segid "A " and resid 11 and name HD% ) ASSI { 4607} (( segid "B " and resid 12 and name HA )) ( segid "B " and resid 11 and name HD% ) 3.100 1.200 1.200 peak 4607 spectrum 1 weight 0.10000E+01 volume 0.18484E-02 ppm1 3.422 ppm2 7.371 CV 1 OR { 4607} (( segid "B " and resid 7 and name HB3 )) ( segid "B " and resid 11 and name HD% ) ASSI { 4616} (( segid "B " and resid 8 and name HB2 )) ( segid "B " and resid 11 and name HD% ) 5.800 4.200 0.200 peak 4616 spectrum 1 weight 0.10000E+01 volume 0.26106E-03 ppm1 2.878 ppm2 7.371 CV 1 OR { 4616} (( segid "B " and resid 14 and name HG3 )) ( segid "B " and resid 11 and name HD% ) ASSI { 4629} (( segid "B " and resid 119 and name HA )) (( segid "B " and resid 119 and name HN )) 2.500 0.800 0.800 peak 4629 spectrum 1 weight 0.10000E+01 volume 0.42305E-02 ppm1 4.307 ppm2 7.436 CV 1 OR { 4629} (( segid "B " and resid 10 and name HB )) ( segid "A " and resid 105 and name HD% ) ASSI { 4632} ( segid "B " and resid 74 and name HD2%) ( segid "B " and resid 105 and name HD% ) 4.200 2.200 1.800 peak 4632 spectrum 1 weight 0.10000E+01 volume 0.54403E-03 ppm1 0.157 ppm2 7.436 CV 1 OR { 4632} ( segid "B " and resid 102 and name HD1%) ( segid "B " and resid 105 and name HD% ) ASSI { 4638} (( segid "B " and resid 115 and name HA2 )) (( segid "B " and resid 119 and name HN )) 3.700 1.700 1.700 peak 4638 spectrum 1 weight 0.10000E+01 volume 0.13936E-02 ppm1 4.078 ppm2 7.436 CV 1 OR { 4638} (( segid "B " and resid 101 and name HA )) ( segid "B " and resid 105 and name HD% ) ASSI { 4643} (( segid "B " and resid 102 and name HG )) ( segid "A " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4643 spectrum 1 weight 0.10000E+01 volume 0.96974E-03 ppm1 1.596 ppm2 7.454 CV 1 OR { 4643} (( segid "B " and resid 6 and name HD3 )) ( segid "B " and resid 7 and name HD% ) OR { 4643} ( segid "B " and resid 9 and name HB% ) ( segid "B " and resid 7 and name HD% ) ASSI { 4652} (( segid "B " and resid 6 and name HG2 )) ( segid "B " and resid 7 and name HD% ) 4.200 2.300 1.800 peak 4652 spectrum 1 weight 0.10000E+01 volume 0.83562E-03 ppm1 1.383 ppm2 7.454 CV 1 OR { 4652} (( segid "B " and resid 79 and name HG )) ( segid "A " and resid 7 and name HD% ) ASSI { 4653} (( segid "B " and resid 3 and name HB3 )) ( segid "B " and resid 7 and name HD% ) 3.100 1.200 1.200 peak 4653 spectrum 1 weight 0.10000E+01 volume 0.33800E-02 ppm1 1.663 ppm2 7.454 CV 1 OR { 4653} (( segid "B " and resid 74 and name HB3 )) ( segid "A " and resid 7 and name HD% ) OR { 4653} ( segid "B " and resid 75 and name HB% ) ( segid "A " and resid 7 and name HD% ) ASSI { 4660} (( segid "B " and resid 4 and name HA2 )) ( segid "B " and resid 7 and name HD% ) 3.400 1.500 1.500 peak 4660 spectrum 1 weight 0.10000E+01 volume 0.31924E-02 ppm1 4.226 ppm2 7.459 CV 1 OR { 4660} (( segid "B " and resid 6 and name HA )) ( segid "B " and resid 7 and name HD% ) ASSI { 4663} (( segid "B " and resid 74 and name HB2 )) ( segid "A " and resid 7 and name HD% ) 4.200 2.200 1.800 peak 4663 spectrum 1 weight 0.10000E+01 volume 0.16298E-02 ppm1 0.554 ppm2 7.459 CV 1 OR { 4663} ( segid "B " and resid 70 and name HD1%) ( segid "A " and resid 7 and name HD% ) ASSI { 4680} ( segid "B " and resid 102 and name HD2%) ( segid "A " and resid 7 and name HE% ) 3.000 1.100 1.100 peak 4680 spectrum 1 weight 0.10000E+01 volume 0.32154E-02 ppm1 -0.092 ppm2 7.571 CV 1 OR { 4680} ( segid "B " and resid 74 and name HD1%) ( segid "A " and resid 7 and name HE% ) OR { 4680} ( segid "B " and resid 102 and name HD2%) ( segid "B " and resid 107 and name HD% ) ASSI { 4682} (( segid "B " and resid 97 and name HB3 )) (( segid "B " and resid 96 and name HN )) 4.100 2.200 1.900 peak 4682 spectrum 1 weight 0.10000E+01 volume 0.11712E-02 ppm1 1.927 ppm2 7.571 CV 1 OR { 4682} (( segid "B " and resid 83 and name HB2 )) ( segid "B " and resid 107 and name HD% ) OR { 4682} ( segid "B " and resid 3 and name HE% ) ( segid "B " and resid 7 and name HE% ) OR { 4682} (( segid "B " and resid 100 and name HB2 )) (( segid "B " and resid 96 and name HN )) ASSI { 4683} (( segid "B " and resid 103 and name HG3 )) ( segid "B " and resid 107 and name HD% ) 3.900 1.900 1.900 peak 4683 spectrum 1 weight 0.10000E+01 volume 0.14063E-02 ppm1 1.902 ppm2 7.571 CV 1 OR { 4683} (( segid "B " and resid 84 and name HB2 )) ( segid "B " and resid 107 and name HD% ) OR { 4683} (( segid "B " and resid 83 and name HB2 )) ( segid "B " and resid 107 and name HD% ) OR { 4683} ( segid "B " and resid 3 and name HE% ) ( segid "B " and resid 7 and name HE% ) OR { 4683} (( segid "B " and resid 22 and name HB2 )) (( segid "B " and resid 96 and name HN )) ASSI { 4685} (( segid "B " and resid 85 and name HB )) ( segid "B " and resid 107 and name HD% ) 4.700 2.800 1.300 peak 4685 spectrum 1 weight 0.10000E+01 volume 0.72742E-03 ppm1 1.963 ppm2 7.571 CV 1 OR { 4685} (( segid "B " and resid 97 and name HB3 )) (( segid "B " and resid 96 and name HN )) ASSI { 4686} (( segid "B " and resid 3 and name HB3 )) ( segid "B " and resid 7 and name HE% ) 2.800 1.000 1.000 peak 4686 spectrum 1 weight 0.10000E+01 volume 0.52543E-02 ppm1 1.688 ppm2 7.571 CV 1 OR { 4686} (( segid "B " and resid 74 and name HB3 )) ( segid "A " and resid 7 and name HE% ) OR { 4686} (( segid "B " and resid 97 and name HB2 )) (( segid "B " and resid 96 and name HN )) OR { 4686} (( segid "B " and resid 3 and name HB2 )) ( segid "B " and resid 7 and name HE% ) ASSI { 4693} (( segid "B " and resid 105 and name HB3 )) ( segid "B " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 4693 spectrum 1 weight 0.10000E+01 volume 0.24814E-02 ppm1 3.493 ppm2 7.571 CV 1 OR { 4693} (( segid "B " and resid 74 and name HA )) ( segid "A " and resid 7 and name HE% ) OR { 4693} (( segid "B " and resid 112 and name HB3 )) (( segid "B " and resid 96 and name HN )) ASSI { 4694} (( segid "B " and resid 107 and name HN )) ( segid "B " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 4694 spectrum 1 weight 0.10000E+01 volume 0.11955E-02 ppm1 8.365 ppm2 7.571 CV 1 OR { 4694} (( segid "B " and resid 7 and name HN )) ( segid "B " and resid 7 and name HE% ) ASSI { 4695} (( segid "B " and resid 100 and name HN )) (( segid "B " and resid 96 and name HN )) 4.800 2.900 1.200 peak 4695 spectrum 1 weight 0.10000E+01 volume 0.55110E-03 ppm1 7.714 ppm2 7.571 CV 1 OR { 4695} (( segid "B " and resid 74 and name HN )) ( segid "A " and resid 7 and name HE% ) ASSI { 4698} (( segid "B " and resid 106 and name HA2 )) ( segid "B " and resid 107 and name HD% ) 3.600 1.600 1.600 peak 4698 spectrum 1 weight 0.10000E+01 volume 0.13748E-02 ppm1 4.337 ppm2 7.571 CV 1 OR { 4698} (( segid "B " and resid 105 and name HA )) ( segid "B " and resid 107 and name HD% ) ASSI { 4699} (( segid "B " and resid 95 and name HA )) (( segid "B " and resid 96 and name HN )) 3.100 1.200 1.200 peak 4699 spectrum 1 weight 0.10000E+01 volume 0.20592E-02 ppm1 3.697 ppm2 7.571 CV 1 OR { 4699} (( segid "B " and resid 106 and name HA1 )) ( segid "B " and resid 107 and name HD% ) OR { 4699} (( segid "B " and resid 81 and name HD2 )) ( segid "A " and resid 7 and name HE% ) ASSI { 4700} (( segid "B " and resid 108 and name HB2 )) ( segid "B " and resid 107 and name HD% ) 3.400 1.500 1.500 peak 4700 spectrum 1 weight 0.10000E+01 volume 0.19604E-02 ppm1 1.851 ppm2 7.571 CV 1 OR { 4700} (( segid "B " and resid 6 and name HB2 )) ( segid "B " and resid 7 and name HE% ) OR { 4700} (( segid "B " and resid 108 and name HB3 )) ( segid "B " and resid 107 and name HD% ) OR { 4700} (( segid "B " and resid 87 and name HB )) (( segid "B " and resid 96 and name HN )) ASSI { 4702} (( segid "B " and resid 4 and name HA2 )) ( segid "B " and resid 7 and name HE% ) 4.000 2.000 2.000 peak 4702 spectrum 1 weight 0.10000E+01 volume 0.10878E-02 ppm1 4.261 ppm2 7.571 CV 1 OR { 4702} (( segid "B " and resid 79 and name HA )) ( segid "A " and resid 7 and name HE% ) ASSI { 4703} (( segid "B " and resid 74 and name HB2 )) ( segid "A " and resid 7 and name HE% ) 4.800 2.900 1.200 peak 4703 spectrum 1 weight 0.10000E+01 volume 0.72853E-03 ppm1 0.554 ppm2 7.571 CV 1 OR { 4703} ( segid "B " and resid 70 and name HD1%) ( segid "A " and resid 7 and name HE% ) ASSI { 4704} (( segid "B " and resid 81 and name HA )) ( segid "B " and resid 107 and name HD% ) 3.000 1.100 1.100 peak 4704 spectrum 1 weight 0.10000E+01 volume 0.29124E-02 ppm1 3.549 ppm2 7.571 CV 1 OR { 4704} (( segid "B " and resid 81 and name HA )) ( segid "A " and resid 7 and name HE% ) OR { 4704} (( segid "B " and resid 99 and name HA1 )) ( segid "B " and resid 107 and name HD% ) ASSI { 4705} (( segid "B " and resid 82 and name HG3 )) ( segid "A " and resid 7 and name HE% ) 4.200 2.300 1.800 peak 4705 spectrum 1 weight 0.10000E+01 volume 0.65954E-03 ppm1 2.324 ppm2 7.571 CV 1 OR { 4705} (( segid "B " and resid 45 and name HB )) (( segid "B " and resid 96 and name HN )) OR { 4705} (( segid "B " and resid 5 and name HG2 )) ( segid "B " and resid 7 and name HE% ) OR { 4705} (( segid "B " and resid 104 and name HG2 )) ( segid "B " and resid 107 and name HD% ) ASSI { 4708} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 4708 spectrum 1 weight 0.10000E+01 volume 0.32717E-02 ppm1 0.788 ppm2 7.571 CV 1 OR { 4708} ( segid "B " and resid 110 and name HD1%) ( segid "B " and resid 107 and name HD% ) OR { 4708} (( segid "B " and resid 102 and name HB2 )) ( segid "B " and resid 107 and name HD% ) ASSI { 4709} ( segid "B " and resid 85 and name HG2%) ( segid "B " and resid 107 and name HD% ) 2.800 1.000 1.000 peak 4709 spectrum 1 weight 0.10000E+01 volume 0.30015E-02 ppm1 0.757 ppm2 7.571 CV 1 OR { 4709} ( segid "B " and resid 79 and name HD1%) ( segid "A " and resid 7 and name HE% ) OR { 4709} ( segid "B " and resid 110 and name HD1%) ( segid "B " and resid 107 and name HD% ) ASSI { 4710} (( segid "B " and resid 102 and name HA )) ( segid "B " and resid 107 and name HD% ) 3.300 1.400 1.400 peak 4710 spectrum 1 weight 0.10000E+01 volume 0.16056E-02 ppm1 3.804 ppm2 7.571 CV 1 OR { 4710} (( segid "B " and resid 102 and name HA )) ( segid "A " and resid 7 and name HE% ) ASSI { 4711} ( segid "B " and resid 79 and name HD2%) ( segid "B " and resid 107 and name HD% ) 3.800 1.800 1.800 peak 4711 spectrum 1 weight 0.10000E+01 volume 0.18136E-02 ppm1 0.900 ppm2 7.571 CV 1 OR { 4711} ( segid "B " and resid 79 and name HD2%) ( segid "A " and resid 7 and name HE% ) OR { 4711} (( segid "B " and resid 81 and name HB2 )) ( segid "A " and resid 7 and name HE% ) ASSI { 4712} ( segid "B " and resid 79 and name HD2%) ( segid "B " and resid 107 and name HD% ) 3.900 1.900 1.900 peak 4712 spectrum 1 weight 0.10000E+01 volume 0.15884E-02 ppm1 0.869 ppm2 7.571 CV 1 OR { 4712} ( segid "B " and resid 79 and name HD2%) ( segid "A " and resid 7 and name HE% ) ASSI { 4717} ( segid "B " and resid 85 and name HG1%) (( segid "B " and resid 108 and name HN )) 4.200 2.200 1.800 peak 4717 spectrum 1 weight 0.10000E+01 volume 0.54674E-03 ppm1 1.052 ppm2 7.612 CV 1 OR { 4717} ( segid "B " and resid 109 and name HG2%) (( segid "B " and resid 108 and name HN )) ASSI { 4720} (( segid "B " and resid 83 and name HB2 )) (( segid "B " and resid 108 and name HN )) 3.900 2.000 2.000 peak 4720 spectrum 1 weight 0.10000E+01 volume 0.90129E-03 ppm1 1.927 ppm2 7.612 CV 1 OR { 4720} (( segid "B " and resid 82 and name HB2 )) (( segid "B " and resid 108 and name HN )) ASSI { 4754} (( segid "B " and resid 47 and name HA )) (( segid "B " and resid 64 and name HE1 )) 3.100 1.200 1.200 peak 4754 spectrum 1 weight 0.10000E+01 volume 0.29606E-02 ppm1 5.039 ppm2 7.988 CV 1 OR { 4754} (( segid "B " and resid 64 and name HA )) (( segid "B " and resid 64 and name HE1 ))
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