NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
509738 | 2l5e | 17270 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 1} ( segid "A " and resid 41 and name HD% ) ( segid "A " and resid 41 and name HE% ) 2.500 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.35211E-02 ppm1 7.084 ppm2 6.617 CV 1 ASSI { 2} ( segid "A " and resid 94 and name HE% ) (( segid "A " and resid 27 and name HA )) 2.900 1.000 1.000 peak 2 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 6.633 ppm2 4.557 CV 1 ASSI { 3} ( segid "A " and resid 94 and name HE% ) ( segid "A " and resid 94 and name HD% ) 2.000 0.500 0.500 peak 3 spectrum 1 weight 0.10000E+01 volume 0.14831E-01 ppm1 6.626 ppm2 6.368 CV 1 ASSI { 4} ( segid "A " and resid 41 and name HD% ) ( segid "A " and resid 46 and name HG1%) 3.300 1.300 1.300 peak 4 spectrum 1 weight 0.10000E+01 volume 0.74725E-03 ppm1 7.087 ppm2 0.993 CV 1 ASSI { 5} (( segid "A " and resid 51 and name HE3 )) (( segid "A " and resid 51 and name HZ3 )) 2.900 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.15926E-02 ppm1 7.422 ppm2 6.783 CV 1 ASSI { 6} (( segid "A " and resid 51 and name HE3 )) (( segid "A " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 6 spectrum 1 weight 0.10000E+01 volume 0.88312E-03 ppm1 7.432 ppm2 3.705 CV 1 ASSI { 7} (( segid "A " and resid 51 and name HE3 )) (( segid "A " and resid 51 and name HB1 )) 3.100 1.200 1.200 peak 7 spectrum 1 weight 0.10000E+01 volume 0.96996E-03 ppm1 7.431 ppm2 3.219 CV 1 ASSI { 9} (( segid "A " and resid 51 and name HE3 )) ( segid "A " and resid 47 and name HG2%) 2.600 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.27777E-02 ppm1 7.424 ppm2 1.145 CV 1 ASSI { 10} (( segid "A " and resid 51 and name HE3 )) ( segid "A " and resid 86 and name HG2%) 4.100 2.100 1.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.19814E-03 ppm1 7.423 ppm2 0.788 CV 1 ASSI { 11} (( segid "A " and resid 57 and name HD1 )) (( segid "A " and resid 57 and name HB1 )) 2.800 1.000 1.000 peak 11 spectrum 1 weight 0.10000E+01 volume 0.18681E-02 ppm1 7.683 ppm2 3.203 CV 1 ASSI { 12} (( segid "A " and resid 57 and name HD1 )) (( segid "A " and resid 57 and name HB2 )) 2.700 0.900 0.900 peak 12 spectrum 1 weight 0.10000E+01 volume 0.21361E-02 ppm1 7.682 ppm2 2.872 CV 1 ASSI { 13} (( segid "A " and resid 57 and name HD1 )) (( segid "A " and resid 125 and name HB2 )) 3.800 1.800 1.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.32268E-03 ppm1 7.684 ppm2 2.225 CV 1 ASSI { 15} (( segid "A " and resid 57 and name HD1 )) (( segid "A " and resid 55 and name HA )) 3.200 1.300 1.300 peak 15 spectrum 1 weight 0.10000E+01 volume 0.78876E-03 ppm1 7.681 ppm2 5.250 CV 1 ASSI { 16} (( segid "A " and resid 96 and name HZ2 )) (( segid "A " and resid 96 and name HH2 )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.80386E-02 ppm1 7.456 ppm2 7.233 CV 1 ASSI { 17} (( segid "A " and resid 57 and name HZ2 )) (( segid "A " and resid 57 and name HH2 )) 2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.56610E-02 ppm1 7.565 ppm2 7.110 CV 1 ASSI { 18} (( segid "A " and resid 57 and name HZ2 )) ( segid "A " and resid 125 and name HE% ) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.36721E-02 ppm1 7.564 ppm2 1.763 CV 1 ASSI { 19} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 51 and name HH2 )) 2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.21814E-02 ppm1 6.788 ppm2 7.141 CV 1 ASSI { 21} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 84 and name HA2 )) 3.300 1.300 1.300 peak 21 spectrum 1 weight 0.10000E+01 volume 0.72838E-03 ppm1 6.784 ppm2 4.404 CV 1 ASSI { 22} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 84 and name HA1 )) 3.500 1.500 1.500 peak 22 spectrum 1 weight 0.10000E+01 volume 0.52458E-03 ppm1 6.796 ppm2 4.100 CV 1 ASSI { 25} (( segid "A " and resid 51 and name HZ2 )) ( segid "A " and resid 60 and name HD% ) 3.000 1.100 1.100 peak 25 spectrum 1 weight 0.10000E+01 volume 0.13548E-02 ppm1 6.966 ppm2 6.247 CV 1 ASSI { 26} (( segid "A " and resid 51 and name HZ2 )) (( segid "A " and resid 51 and name HH2 )) 2.300 0.600 0.600 peak 26 spectrum 1 weight 0.10000E+01 volume 0.67932E-02 ppm1 6.962 ppm2 7.138 CV 1 ASSI { 27} (( segid "A " and resid 51 and name HD1 )) ( segid "A " and resid 60 and name HE% ) 3.200 1.300 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.79631E-03 ppm1 7.038 ppm2 6.172 CV 1 ASSI { 28} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 52 and name HA )) 2.900 1.100 1.100 peak 28 spectrum 1 weight 0.10000E+01 volume 0.15436E-02 ppm1 7.039 ppm2 4.477 CV 1 ASSI { 29} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 51 and name HA )) 3.000 1.100 1.100 peak 29 spectrum 1 weight 0.10000E+01 volume 0.12944E-02 ppm1 7.037 ppm2 3.901 CV 1 ASSI { 30} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 51 and name HB2 )) 2.600 2.600 3.400 peak 30 spectrum 1 weight 0.10000E+01 volume 0.26946E-02 ppm1 7.037 ppm2 3.706 CV 1 ASSI { 31} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 31 spectrum 1 weight 0.10000E+01 volume 0.46042E-02 ppm1 7.039 ppm2 3.224 CV 1 ASSI { 32} (( segid "A " and resid 96 and name HZ2 )) ( segid "A " and resid 36 and name HG2%) 6.000 4.900 0.000 peak 32 spectrum 1 weight 0.10000E+01 volume 0.14983E-04 ppm1 7.464 ppm2 0.879 CV 1 ASSI { 33} (( segid "A " and resid 53 and name HD2 )) (( segid "A " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.47929E-02 ppm1 7.045 ppm2 3.144 CV 1 ASSI { 34} (( segid "A " and resid 53 and name HD2 )) ( segid "A " and resid 129 and name HD1%) 3.300 1.300 1.300 peak 34 spectrum 1 weight 0.10000E+01 volume 0.76612E-03 ppm1 7.048 ppm2 0.550 CV 1 ASSI { 35} ( segid "A " and resid 41 and name HE% ) (( segid "A " and resid 137 and name HA )) 3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66045E-03 ppm1 6.608 ppm2 3.669 CV 1 ASSI { 36} ( segid "A " and resid 41 and name HE% ) ( segid "A " and resid 46 and name HG1%) 2.300 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.58119E-02 ppm1 6.610 ppm2 0.966 CV 1 ASSI { 37} (( segid "A " and resid 96 and name HE3 )) (( segid "A " and resid 95 and name HA )) 3.300 3.300 2.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.70951E-03 ppm1 7.396 ppm2 4.507 CV 1 ASSI { 38} (( segid "A " and resid 96 and name HE3 )) (( segid "A " and resid 96 and name HZ3 )) 2.800 1.000 1.000 peak 38 spectrum 1 weight 0.10000E+01 volume 0.19021E-02 ppm1 7.393 ppm2 7.101 CV 1 ASSI { 39} (( segid "A " and resid 57 and name HE3 )) (( segid "A " and resid 57 and name HB1 )) 3.400 1.400 1.400 peak 39 spectrum 1 weight 0.10000E+01 volume 0.61516E-03 ppm1 7.226 ppm2 3.215 CV 1 ASSI { 40} (( segid "A " and resid 57 and name HE3 )) (( segid "A " and resid 57 and name HB2 )) 3.500 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.48307E-03 ppm1 7.226 ppm2 2.872 CV 1 ASSI { 41} (( segid "A " and resid 57 and name HE3 )) (( segid "A " and resid 58 and name HA )) 4.300 2.300 1.700 peak 41 spectrum 1 weight 0.10000E+01 volume 0.14417E-03 ppm1 7.228 ppm2 3.748 CV 1 ASSI { 42} (( segid "A " and resid 57 and name HE3 )) (( segid "A " and resid 57 and name HZ3 )) 2.900 1.100 1.100 peak 42 spectrum 1 weight 0.10000E+01 volume 0.14681E-02 ppm1 7.219 ppm2 6.959 CV 1 ASSI { 43} (( segid "A " and resid 96 and name HZ3 )) (( segid "A " and resid 32 and name HB2 )) 5.900 4.400 0.100 peak 43 spectrum 1 weight 0.10000E+01 volume 0.21587E-04 ppm1 7.103 ppm2 2.269 CV 1 ASSI { 46} (( segid "A " and resid 57 and name HH2 )) (( segid "A " and resid 57 and name HZ3 )) 2.500 0.800 0.800 peak 46 spectrum 1 weight 0.10000E+01 volume 0.41137E-02 ppm1 7.115 ppm2 6.952 CV 1 ASSI { 48} (( segid "A " and resid 96 and name HD1 )) (( segid "A " and resid 97 and name HA )) 3.400 1.500 1.500 peak 48 spectrum 1 weight 0.10000E+01 volume 0.56232E-03 ppm1 7.225 ppm2 5.088 CV 1 ASSI { 49} ( segid "A " and resid 55 and name HE% ) (( segid "A " and resid 55 and name HA )) 3.200 1.300 1.300 peak 49 spectrum 1 weight 0.10000E+01 volume 0.80009E-03 ppm1 7.564 ppm2 5.254 CV 1 ASSI { 50} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 51 and name HE3 )) 3.200 3.200 2.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.90576E-03 ppm1 7.039 ppm2 7.419 CV 1 ASSI { 51} ( segid "A " and resid 59 and name HE% ) ( segid "A " and resid 59 and name HD% ) 2.500 0.800 0.800 peak 51 spectrum 1 weight 0.10000E+01 volume 0.37665E-02 ppm1 7.066 ppm2 7.245 CV 1 ASSI { 53} ( segid "A " and resid 113 and name HD% ) (( segid "A " and resid 113 and name HB1 )) 3.300 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.70573E-03 ppm1 7.060 ppm2 3.237 CV 1 ASSI { 54} (( segid "A " and resid 133 and name HZ )) ( segid "A " and resid 133 and name HE% ) 2.900 1.100 1.100 peak 54 spectrum 1 weight 0.10000E+01 volume 0.14455E-02 ppm1 6.400 ppm2 6.906 CV 1 ASSI { 55} (( segid "A " and resid 133 and name HZ )) ( segid "A " and resid 46 and name HG1%) 2.700 2.700 3.300 peak 55 spectrum 1 weight 0.10000E+01 volume 0.24380E-02 ppm1 6.409 ppm2 0.959 CV 1 ASSI { 56} (( segid "A " and resid 133 and name HZ )) ( segid "A " and resid 102 and name HE% ) 3.000 1.100 1.100 peak 56 spectrum 1 weight 0.10000E+01 volume 0.13737E-02 ppm1 6.400 ppm2 1.923 CV 1 ASSI { 57} (( segid "A " and resid 96 and name HD1 )) (( segid "A " and resid 97 and name HB2 )) 2.800 1.000 1.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.19248E-02 ppm1 7.230 ppm2 4.075 CV 1 ASSI { 58} ( segid "A " and resid 105 and name HD% ) (( segid "A " and resid 105 and name HB1 )) 3.500 1.600 1.600 peak 58 spectrum 1 weight 0.10000E+01 volume 0.47175E-03 ppm1 6.875 ppm2 2.066 CV 1 ASSI { 59} ( segid "A " and resid 105 and name HD% ) ( segid "A " and resid 105 and name HE% ) 2.300 0.600 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.68309E-02 ppm1 6.873 ppm2 7.034 CV 1 ASSI { 60} ( segid "A " and resid 105 and name HD% ) (( segid "A " and resid 105 and name HN )) 3.800 1.800 1.800 peak 60 spectrum 1 weight 0.10000E+01 volume 0.29362E-03 ppm1 6.883 ppm2 8.177 CV 1 ASSI { 61} (( segid "A " and resid 53 and name HE1 )) ( segid "A " and resid 55 and name HE% ) 2.600 2.600 3.400 peak 61 spectrum 1 weight 0.10000E+01 volume 0.28682E-02 ppm1 6.922 ppm2 7.559 CV 1 ASSI { 62} (( segid "A " and resid 53 and name HE1 )) (( segid "A " and resid 55 and name HA )) 4.100 2.100 1.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.18039E-03 ppm1 6.923 ppm2 5.251 CV 1 ASSI { 63} (( segid "A " and resid 53 and name HE1 )) (( segid "A " and resid 55 and name HB1 )) 3.300 1.300 1.300 peak 63 spectrum 1 weight 0.10000E+01 volume 0.75480E-03 ppm1 6.923 ppm2 3.332 CV 1 ASSI { 64} (( segid "A " and resid 53 and name HE1 )) ( segid "A " and resid 128 and name HB% ) 2.300 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.58497E-02 ppm1 6.924 ppm2 1.792 CV 1 ASSI { 65} (( segid "A " and resid 53 and name HE1 )) ( segid "A " and resid 129 and name HD1%) 3.100 1.200 1.200 peak 65 spectrum 1 weight 0.10000E+01 volume 0.10114E-02 ppm1 6.926 ppm2 0.556 CV 1 ASSI { 66} (( segid "A " and resid 53 and name HE1 )) (( segid "A " and resid 129 and name HB2 )) 2.500 2.500 3.500 peak 66 spectrum 1 weight 0.10000E+01 volume 0.36947E-02 ppm1 6.923 ppm2 1.938 CV 1 ASSI { 68} (( segid "A " and resid 74 and name HE1 )) ( segid "A " and resid 73 and name HE% ) 4.300 2.300 1.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14379E-03 ppm1 7.996 ppm2 6.069 CV 1 ASSI { 69} ( segid "A " and resid 115 and name HE% ) (( segid "A " and resid 115 and name HA )) 3.100 3.100 2.900 peak 69 spectrum 1 weight 0.10000E+01 volume 0.97744E-03 ppm1 6.678 ppm2 4.022 CV 1 ASSI { 70} ( segid "A " and resid 115 and name HE% ) (( segid "A " and resid 70 and name HA )) 3.400 3.400 2.600 peak 70 spectrum 1 weight 0.10000E+01 volume 0.54723E-03 ppm1 6.680 ppm2 5.133 CV 1 ASSI { 71} ( segid "A " and resid 115 and name HE% ) ( segid "A " and resid 115 and name HD% ) 2.300 0.600 0.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.70197E-02 ppm1 6.677 ppm2 6.940 CV 1 ASSI { 72} ( segid "A " and resid 115 and name HE% ) (( segid "A " and resid 73 and name HA )) 2.600 0.900 0.900 peak 72 spectrum 1 weight 0.10000E+01 volume 0.28494E-02 ppm1 6.674 ppm2 3.539 CV 1 ASSI { 73} ( segid "A " and resid 113 and name HE% ) (( segid "A " and resid 113 and name HA )) 3.100 1.200 1.200 peak 73 spectrum 1 weight 0.10000E+01 volume 0.96996E-03 ppm1 6.990 ppm2 4.798 CV 1 ASSI { 74} ( segid "A " and resid 113 and name HE% ) (( segid "A " and resid 110 and name HA )) 4.000 2.000 2.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.23738E-03 ppm1 6.986 ppm2 3.907 CV 1 ASSI { 75} ( segid "A " and resid 113 and name HE% ) (( segid "A " and resid 109 and name HB1 )) 2.600 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.29136E-02 ppm1 6.988 ppm2 2.894 CV 1 ASSI { 76} ( segid "A " and resid 113 and name HE% ) (( segid "A " and resid 127 and name HB2 )) 2.700 2.700 3.300 peak 76 spectrum 1 weight 0.10000E+01 volume 0.22040E-02 ppm1 6.992 ppm2 2.311 CV 1 ASSI { 78} ( segid "A " and resid 113 and name HE% ) ( segid "A " and resid 123 and name HG2%) 2.400 0.700 0.700 peak 78 spectrum 1 weight 0.10000E+01 volume 0.53591E-02 ppm1 6.991 ppm2 1.067 CV 1 ASSI { 79} (( segid "A " and resid 53 and name HD2 )) (( segid "A " and resid 132 and name HB )) 2.800 2.800 3.200 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21059E-02 ppm1 7.046 ppm2 1.905 CV 1 ASSI { 80} (( segid "A " and resid 53 and name HD2 )) (( segid "A " and resid 132 and name HG11)) 3.900 1.900 1.900 peak 80 spectrum 1 weight 0.10000E+01 volume 0.26078E-03 ppm1 7.047 ppm2 1.252 CV 1 ASSI { 81} ( segid "A " and resid 95 and name HE% ) ( segid "A " and resid 39 and name HD2%) 3.000 1.100 1.100 peak 81 spectrum 1 weight 0.10000E+01 volume 0.13209E-02 ppm1 7.202 ppm2 0.912 CV 1 ASSI { 84} ( segid "A " and resid 60 and name HE% ) ( segid "A " and resid 60 and name HD% ) 2.000 0.500 0.500 peak 84 spectrum 1 weight 0.10000E+01 volume 0.14077E-01 ppm1 6.164 ppm2 6.241 CV 1 ASSI { 86} (( segid "A " and resid 53 and name HD2 )) (( segid "A " and resid 132 and name HG12)) 3.100 1.200 1.200 peak 86 spectrum 1 weight 0.10000E+01 volume 0.10643E-02 ppm1 7.048 ppm2 1.678 CV 1 ASSI { 87} ( segid "A " and resid 95 and name HE% ) (( segid "A " and resid 89 and name HB2 )) 3.400 1.400 1.400 peak 87 spectrum 1 weight 0.10000E+01 volume 0.60383E-03 ppm1 7.199 ppm2 2.216 CV 1 OR { 87} ( segid "A " and resid 95 and name HE% ) (( segid "A " and resid 89 and name HB1 )) ASSI { 89} (( segid "A " and resid 133 and name HZ )) (( segid "A " and resid 133 and name HA )) 3.600 3.600 2.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.41514E-03 ppm1 6.410 ppm2 3.843 CV 1 ASSI { 90} ( segid "A " and resid 109 and name HD% ) ( segid "A " and resid 109 and name HE% ) 2.900 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.15473E-02 ppm1 6.925 ppm2 6.464 CV 1 ASSI { 91} (( segid "A " and resid 74 and name HE1 )) ( segid "A " and resid 65 and name HB% ) 2.900 1.000 1.000 peak 91 spectrum 1 weight 0.10000E+01 volume 0.16040E-02 ppm1 8.009 ppm2 1.551 CV 1 ASSI { 92} (( segid "A " and resid 133 and name HZ )) ( segid "A " and resid 137 and name HG1%) 3.600 1.600 1.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.43779E-03 ppm1 6.399 ppm2 0.642 CV 1 ASSI { 94} ( segid "A " and resid 73 and name HE% ) ( segid "A " and resid 115 and name HD% ) 3.900 1.900 1.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.27965E-03 ppm1 6.051 ppm2 6.928 CV 1 ASSI { 95} ( segid "A " and resid 115 and name HE% ) (( segid "A " and resid 76 and name HG11)) 2.700 2.700 3.300 peak 95 spectrum 1 weight 0.10000E+01 volume 0.22870E-02 ppm1 6.678 ppm2 1.296 CV 1 OR { 95} ( segid "A " and resid 115 and name HE% ) (( segid "A " and resid 76 and name HG12)) ASSI { 96} (( segid "A " and resid 51 and name HD1 )) (( segid "A " and resid 52 and name HG1 )) 3.000 1.100 1.100 peak 96 spectrum 1 weight 0.10000E+01 volume 0.13813E-02 ppm1 7.036 ppm2 1.799 CV 1 ASSI { 97} (( segid "A " and resid 53 and name HE1 )) (( segid "A " and resid 125 and name HG2 )) 3.800 1.800 1.800 peak 97 spectrum 1 weight 0.10000E+01 volume 0.30230E-03 ppm1 6.920 ppm2 2.285 CV 1 OR { 97} (( segid "A " and resid 53 and name HE1 )) (( segid "A " and resid 125 and name HG1 )) ASSI { 98} (( segid "A " and resid 53 and name HE1 )) ( segid "A " and resid 132 and name HD1%) 4.000 2.000 2.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.21851E-03 ppm1 6.922 ppm2 0.907 CV 1 ASSI { 99} ( segid "A " and resid 105 and name HD% ) ( segid "A " and resid 50 and name HD1%) 2.600 0.800 0.800 peak 99 spectrum 1 weight 0.10000E+01 volume 0.30230E-02 ppm1 6.873 ppm2 0.922 CV 1 ASSI { 100} ( segid "A " and resid 94 and name HD% ) (( segid "A " and resid 89 and name HN )) 4.100 2.100 1.900 peak 100 spectrum 1 weight 0.10000E+01 volume 0.18455E-03 ppm1 6.365 ppm2 8.427 CV 1 ASSI { 101} ( segid "A " and resid 94 and name HD% ) ( segid "A " and resid 95 and name HD% ) 3.700 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.33324E-03 ppm1 6.382 ppm2 7.597 CV 1 ASSI { 102} ( segid "A " and resid 94 and name HD% ) (( segid "A " and resid 94 and name HB2 )) 3.100 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 6.359 ppm2 2.958 CV 1 ASSI { 103} ( segid "A " and resid 94 and name HD% ) (( segid "A " and resid 100 and name HB1 )) 4.800 2.800 1.200 peak 103 spectrum 1 weight 0.10000E+01 volume 0.77367E-04 ppm1 6.365 ppm2 2.542 CV 1 ASSI { 104} ( segid "A " and resid 94 and name HD% ) ( segid "A " and resid 95 and name HE% ) 5.100 3.300 0.900 peak 104 spectrum 1 weight 0.10000E+01 volume 0.52081E-04 ppm1 6.373 ppm2 7.195 CV 1 ASSI { 105} ( segid "A " and resid 113 and name HD% ) ( segid "A " and resid 110 and name HG2%) 3.300 1.300 1.300 peak 105 spectrum 1 weight 0.10000E+01 volume 0.75480E-03 ppm1 7.051 ppm2 1.415 CV 1 ASSI { 106} ( segid "A " and resid 113 and name HD% ) ( segid "A " and resid 123 and name HG2%) 2.400 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.44155E-02 ppm1 7.058 ppm2 1.090 CV 1 ASSI { 107} ( segid "A " and resid 113 and name HD% ) (( segid "A " and resid 113 and name HB2 )) 2.600 0.900 0.900 peak 107 spectrum 1 weight 0.10000E+01 volume 0.27475E-02 ppm1 7.061 ppm2 3.334 CV 1 ASSI { 108} ( segid "A " and resid 133 and name HD% ) ( segid "A " and resid 137 and name HG1%) 4.300 2.300 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.15398E-03 ppm1 6.700 ppm2 0.692 CV 1 ASSI { 109} ( segid "A " and resid 109 and name HE% ) ( segid "A " and resid 50 and name HD1%) 2.800 1.000 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.17587E-02 ppm1 6.487 ppm2 0.937 CV 1 ASSI { 111} ( segid "A " and resid 59 and name HE% ) (( segid "A " and resid 129 and name HB2 )) 3.800 1.800 1.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.32796E-03 ppm1 7.074 ppm2 1.896 CV 1 ASSI { 112} (( segid "A " and resid 57 and name HD1 )) ( segid "A " and resid 55 and name HD% ) 2.900 2.900 3.100 peak 112 spectrum 1 weight 0.10000E+01 volume 0.16002E-02 ppm1 7.684 ppm2 7.419 CV 1 ASSI { 113} (( segid "A " and resid 96 and name HD1 )) (( segid "A " and resid 97 and name HB1 )) 3.000 1.200 1.200 peak 113 spectrum 1 weight 0.10000E+01 volume 0.11587E-02 ppm1 7.229 ppm2 3.646 CV 1 ASSI { 114} (( segid "A " and resid 96 and name HD1 )) (( segid "A " and resid 144 and name HG2 )) 3.900 1.900 1.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.26606E-03 ppm1 7.227 ppm2 1.918 CV 1 ASSI { 115} (( segid "A " and resid 96 and name HD1 )) (( segid "A " and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 115 spectrum 1 weight 0.10000E+01 volume 0.44911E-03 ppm1 7.223 ppm2 1.122 CV 1 ASSI { 116} (( segid "A " and resid 96 and name HD1 )) ( segid "A " and resid 36 and name HG2%) 3.200 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.91708E-03 ppm1 7.225 ppm2 0.881 CV 1 ASSI { 117} (( segid "A " and resid 96 and name HH2 )) (( segid "A " and resid 96 and name HZ3 )) 2.200 0.600 0.600 peak 117 spectrum 1 weight 0.10000E+01 volume 0.87557E-02 ppm1 7.233 ppm2 7.113 CV 1 ASSI { 118} (( segid "A " and resid 57 and name HH2 )) (( segid "A " and resid 58 and name HG1 )) 3.300 1.400 1.400 peak 118 spectrum 1 weight 0.10000E+01 volume 0.66045E-03 ppm1 7.118 ppm2 1.365 CV 1 ASSI { 119} (( segid "A " and resid 51 and name HH2 )) (( segid "A " and resid 84 and name HA2 )) 3.300 1.300 1.300 peak 119 spectrum 1 weight 0.10000E+01 volume 0.76989E-03 ppm1 7.143 ppm2 4.400 CV 1 ASSI { 120} (( segid "A " and resid 51 and name HH2 )) (( segid "A " and resid 84 and name HA1 )) 3.300 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.68686E-03 ppm1 7.139 ppm2 4.108 CV 1 ASSI { 121} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 83 and name HB2 )) 3.300 1.400 1.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.66422E-03 ppm1 6.779 ppm2 2.295 CV 1 ASSI { 122} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 83 and name HG1 )) 3.800 1.800 1.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.30305E-03 ppm1 6.787 ppm2 2.829 CV 1 OR { 122} (( segid "A " and resid 51 and name HZ3 )) (( segid "A " and resid 83 and name HG2 )) ASSI { 123} (( segid "A " and resid 51 and name HZ3 )) ( segid "A " and resid 86 and name HG2%) 3.800 1.800 1.800 peak 123 spectrum 1 weight 0.10000E+01 volume 0.31815E-03 ppm1 6.785 ppm2 0.776 CV 1 ASSI { 125} ( segid "A " and resid 94 and name HE% ) ( segid "A " and resid 95 and name HE% ) 2.700 2.700 3.300 peak 125 spectrum 1 weight 0.10000E+01 volume 0.22758E-02 ppm1 6.623 ppm2 7.180 CV 1 ASSI { 126} ( segid "A " and resid 94 and name HE% ) ( segid "A " and resid 95 and name HD% ) 4.500 2.500 1.500 peak 126 spectrum 1 weight 0.10000E+01 volume 0.11549E-03 ppm1 6.625 ppm2 7.594 CV 1 ASSI { 127} ( segid "A " and resid 94 and name HE% ) (( segid "A " and resid 31 and name HE1 )) 2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.41891E-02 ppm1 6.629 ppm2 2.693 CV 1 ASSI { 128} ( segid "A " and resid 94 and name HE% ) (( segid "A " and resid 28 and name HB1 )) 2.700 0.900 0.900 peak 128 spectrum 1 weight 0.10000E+01 volume 0.21437E-02 ppm1 6.624 ppm2 2.860 CV 1 ASSI { 129} ( segid "A " and resid 94 and name HE% ) (( segid "A " and resid 25 and name HG2 )) 2.500 0.800 0.800 peak 129 spectrum 1 weight 0.10000E+01 volume 0.40004E-02 ppm1 6.627 ppm2 2.261 CV 1 ASSI { 130} ( segid "A " and resid 94 and name HE% ) (( segid "A " and resid 25 and name HB2 )) 2.700 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.21437E-02 ppm1 6.627 ppm2 2.108 CV 1 ASSI { 132} ( segid "A " and resid 73 and name HE% ) (( segid "A " and resid 80 and name HB1 )) 4.400 2.400 1.600 peak 132 spectrum 1 weight 0.10000E+01 volume 0.12680E-03 ppm1 6.044 ppm2 1.979 CV 1 ASSI { 133} (( segid "A " and resid 51 and name HZ2 )) (( segid "A " and resid 51 and name HZ3 )) 2.500 2.500 3.500 peak 133 spectrum 1 weight 0.10000E+01 volume 0.33513E-02 ppm1 6.965 ppm2 6.808 CV 1 ASSI { 134} (( segid "A " and resid 51 and name HZ2 )) (( segid "A " and resid 60 and name HA )) 3.500 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.53591E-03 ppm1 6.969 ppm2 4.179 CV 1 ASSI { 135} (( segid "A " and resid 51 and name HZ2 )) (( segid "A " and resid 61 and name HG1 )) 3.500 3.500 2.500 peak 135 spectrum 1 weight 0.10000E+01 volume 0.48307E-03 ppm1 6.967 ppm2 2.227 CV 1 OR { 135} (( segid "A " and resid 51 and name HZ2 )) (( segid "A " and resid 61 and name HG2 )) ASSI { 137} ( segid "A " and resid 109 and name HD% ) ( segid "A " and resid 133 and name HD% ) 2.400 2.400 3.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.53969E-02 ppm1 6.909 ppm2 6.698 CV 1 ASSI { 138} ( segid "A " and resid 94 and name HD% ) (( segid "A " and resid 31 and name HE2 )) 3.700 1.700 1.700 peak 138 spectrum 1 weight 0.10000E+01 volume 0.35853E-03 ppm1 6.366 ppm2 2.621 CV 1 ASSI { 1} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 106 and name HB1 )) 2.400 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 9.036 ppm2 3.001 CV 1 ASSI { 2} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HB1 )) 3.200 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.91429E-03 ppm1 8.438 ppm2 2.658 CV 1 ASSI { 3} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HA )) 2.300 0.700 0.700 peak 3 spectrum 1 weight 0.10000E+01 volume 0.63221E-02 ppm1 8.438 ppm2 4.251 CV 1 ASSI { 4} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HB2 )) 2.200 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.72493E-02 ppm1 8.974 ppm2 2.854 CV 1 ASSI { 5} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 44 and name HA )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 8.976 ppm2 4.562 CV 1 ASSI { 6} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 30 and name HB2 )) 2.000 0.500 0.500 peak 6 spectrum 1 weight 0.10000E+01 volume 0.13710E-01 ppm1 8.293 ppm2 3.835 CV 1 ASSI { 7} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 93 and name HA )) 2.700 0.900 0.900 peak 7 spectrum 1 weight 0.10000E+01 volume 0.24657E-02 ppm1 8.547 ppm2 4.867 CV 1 ASSI { 8} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 94 and name HA )) 2.700 0.900 0.900 peak 8 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 8.548 ppm2 4.072 CV 1 ASSI { 9} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HB )) 2.300 0.700 0.700 peak 9 spectrum 1 weight 0.10000E+01 volume 0.61347E-02 ppm1 8.670 ppm2 1.899 CV 1 ASSI { 10} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 116 and name HB2 )) 2.700 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.26136E-02 ppm1 7.449 ppm2 2.814 CV 1 ASSI { 11} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 120 and name HA )) 3.300 1.300 1.300 peak 11 spectrum 1 weight 0.10000E+01 volume 0.72196E-03 ppm1 9.285 ppm2 4.596 CV 1 ASSI { 12} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 122 and name HG2%) 2.800 1.000 1.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 8.548 ppm2 0.892 CV 1 ASSI { 13} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HG12)) 3.400 1.400 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.61545E-03 ppm1 8.551 ppm2 1.353 CV 1 ASSI { 14} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 124 and name HB1 )) 2.600 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.27024E-02 ppm1 7.208 ppm2 1.580 CV 1 ASSI { 15} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 67 and name HB2 )) 2.200 2.200 3.800 peak 15 spectrum 1 weight 0.10000E+01 volume 0.83440E-02 ppm1 7.837 ppm2 1.738 CV 1 ASSI { 16} (( segid "A " and resid 142 and name HE21)) (( segid "A " and resid 142 and name HE22)) 1.700 0.400 0.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.34125E-01 ppm1 7.535 ppm2 6.901 CV 1 ASSI { 17} (( segid "A " and resid 127 and name HE21)) (( segid "A " and resid 127 and name HE22)) 1.800 0.400 0.400 peak 17 spectrum 1 weight 0.10000E+01 volume 0.28504E-01 ppm1 7.381 ppm2 6.771 CV 1 ASSI { 18} (( segid "A " and resid 127 and name HE21)) (( segid "A " and resid 127 and name HB2 )) 2.700 0.900 0.900 peak 18 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 7.381 ppm2 2.307 CV 1 ASSI { 19} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 96 and name HZ2 )) 2.300 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.60164E-02 ppm1 10.207 ppm2 7.470 CV 1 ASSI { 20} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 96 and name HD1 )) 2.100 0.500 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.10750E-01 ppm1 10.208 ppm2 7.236 CV 1 ASSI { 21} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 146 and name HB1 )) 3.300 3.300 2.700 peak 21 spectrum 1 weight 0.10000E+01 volume 0.73971E-03 ppm1 10.209 ppm2 1.836 CV 1 ASSI { 22} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 32 and name HB2 )) 3.400 3.400 2.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.58882E-03 ppm1 10.209 ppm2 2.273 CV 1 ASSI { 23} (( segid "A " and resid 96 and name HE1 )) ( segid "A " and resid 36 and name HG2%) 3.000 3.000 3.000 peak 23 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 10.206 ppm2 0.903 CV 1 ASSI { 24} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 96 and name HB1 )) 3.600 1.700 1.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.39057E-03 ppm1 10.203 ppm2 3.393 CV 1 ASSI { 25} (( segid "A " and resid 57 and name HE1 )) (( segid "A " and resid 57 and name HD1 )) 2.600 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.32055E-02 ppm1 10.638 ppm2 7.665 CV 1 ASSI { 26} (( segid "A " and resid 57 and name HE1 )) ( segid "A " and resid 125 and name HE% ) 3.200 1.300 1.300 peak 26 spectrum 1 weight 0.10000E+01 volume 0.83737E-03 ppm1 10.640 ppm2 1.808 CV 1 ASSI { 27} (( segid "A " and resid 51 and name HE1 )) (( segid "A " and resid 51 and name HD1 )) 1.900 1.900 4.100 peak 27 spectrum 1 weight 0.10000E+01 volume 0.17359E-01 ppm1 9.783 ppm2 7.025 CV 1 ASSI { 28} (( segid "A " and resid 57 and name HE1 )) (( segid "A " and resid 55 and name HA )) 4.600 2.600 1.400 peak 28 spectrum 1 weight 0.10000E+01 volume 0.96857E-04 ppm1 10.633 ppm2 5.279 CV 1 ASSI { 29} (( segid "A " and resid 51 and name HE1 )) (( segid "A " and resid 51 and name HA )) 4.600 2.600 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.97153E-04 ppm1 9.777 ppm2 3.915 CV 1 ASSI { 30} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 34 and name HH22)) 3.700 1.700 1.700 peak 30 spectrum 1 weight 0.10000E+01 volume 0.35408E-03 ppm1 10.204 ppm2 6.816 CV 1 ASSI { 31} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 34 and name HE )) 4.500 2.500 1.500 peak 31 spectrum 1 weight 0.10000E+01 volume 0.10948E-03 ppm1 10.210 ppm2 6.356 CV 1 ASSI { 32} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 35 and name HA )) 2.300 0.600 0.600 peak 32 spectrum 1 weight 0.10000E+01 volume 0.65687E-02 ppm1 7.064 ppm2 4.701 CV 1 ASSI { 33} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 28 and name HB2 )) 2.300 0.700 0.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.57993E-02 ppm1 7.777 ppm2 2.756 CV 1 ASSI { 34} (( segid "A " and resid 92 and name HD22)) ( segid "A " and resid 26 and name HG1%) 2.900 1.000 1.000 peak 34 spectrum 1 weight 0.10000E+01 volume 0.15386E-02 ppm1 7.063 ppm2 0.868 CV 1 OR { 34} (( segid "A " and resid 92 and name HD22)) ( segid "A " and resid 26 and name HG2%) ASSI { 35} (( segid "A " and resid 92 and name HD22)) (( segid "A " and resid 92 and name HD21)) 1.900 0.500 0.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16668E-01 ppm1 7.065 ppm2 7.538 CV 1 ASSI { 36} (( segid "A " and resid 92 and name HD22)) (( segid "A " and resid 26 and name HB )) 3.300 3.300 2.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.72394E-03 ppm1 7.063 ppm2 2.108 CV 1 ASSI { 37} (( segid "A " and resid 92 and name HD22)) (( segid "A " and resid 92 and name HB1 )) 3.100 1.200 1.200 peak 37 spectrum 1 weight 0.10000E+01 volume 0.96756E-03 ppm1 7.066 ppm2 2.768 CV 1 ASSI { 38} (( segid "A " and resid 92 and name HD22)) (( segid "A " and resid 92 and name HB2 )) 3.000 1.100 1.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 7.065 ppm2 2.999 CV 1 ASSI { 39} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 41 and name HB2 )) 2.900 1.100 1.100 peak 39 spectrum 1 weight 0.10000E+01 volume 0.14005E-02 ppm1 8.896 ppm2 3.433 CV 1 ASSI { 40} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HB1 )) 2.600 2.600 3.400 peak 40 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 7.045 ppm2 3.217 CV 1 ASSI { 41} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HB2 )) 2.700 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.24460E-02 ppm1 7.046 ppm2 2.888 CV 1 ASSI { 42} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 57 and name HD1 )) 2.500 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.36296E-02 ppm1 7.045 ppm2 7.683 CV 1 ASSI { 43} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 56 and name HN )) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.20219E-02 ppm1 7.047 ppm2 7.843 CV 1 ASSI { 45} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 82 and name HA )) 2.500 2.500 3.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 8.127 ppm2 4.772 CV 1 ASSI { 46} (( segid "A " and resid 81 and name HN )) ( segid "A " and resid 107 and name HG2%) 3.100 1.200 1.200 peak 46 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 8.131 ppm2 1.269 CV 1 ASSI { 47} (( segid "A " and resid 81 and name HN )) ( segid "A " and resid 77 and name HG2%) 3.300 1.300 1.300 peak 47 spectrum 1 weight 0.10000E+01 volume 0.73676E-03 ppm1 8.128 ppm2 0.458 CV 1 ASSI { 48} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 80 and name HB2 )) 3.200 1.300 1.300 peak 48 spectrum 1 weight 0.10000E+01 volume 0.87188E-03 ppm1 8.124 ppm2 2.319 CV 1 ASSI { 49} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 81 and name HA )) 4.200 2.200 1.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.15780E-03 ppm1 8.124 ppm2 5.007 CV 1 ASSI { 50} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 80 and name HA )) 2.600 0.800 0.800 peak 50 spectrum 1 weight 0.10000E+01 volume 0.32350E-02 ppm1 8.126 ppm2 3.976 CV 1 ASSI { 51} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 98 and name HB% ) 2.900 1.100 1.100 peak 51 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 8.894 ppm2 1.382 CV 1 ASSI { 52} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 39 and name HD2%) 2.600 2.600 3.400 peak 52 spectrum 1 weight 0.10000E+01 volume 0.28405E-02 ppm1 8.898 ppm2 0.945 CV 1 ASSI { 53} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 84 and name HA2 )) 3.500 1.600 1.600 peak 53 spectrum 1 weight 0.10000E+01 volume 0.45764E-03 ppm1 8.564 ppm2 4.411 CV 1 ASSI { 54} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 86 and name HN )) 3.100 1.200 1.200 peak 54 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.564 ppm2 7.203 CV 1 ASSI { 55} (( segid "A " and resid 122 and name HN )) ( segid "A " and resid 122 and name HD1%) 5.300 3.500 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.39747E-04 ppm1 8.546 ppm2 0.535 CV 1 ASSI { 56} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 123 and name HN )) 3.800 1.800 1.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.30181E-03 ppm1 8.543 ppm2 6.948 CV 1 ASSI { 57} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 86 and name HD1%) 2.600 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.32055E-02 ppm1 7.212 ppm2 -0.473 CV 1 ASSI { 59} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 86 and name HB )) 2.800 1.000 1.000 peak 59 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 7.209 ppm2 1.412 CV 1 ASSI { 60} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 82 and name HB2 )) 4.100 2.100 1.900 peak 60 spectrum 1 weight 0.10000E+01 volume 0.19233E-03 ppm1 7.205 ppm2 2.546 CV 1 ASSI { 61} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 96 and name HB2 )) 3.400 3.400 2.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.64011E-03 ppm1 10.215 ppm2 3.447 CV 1 ASSI { 62} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 43 and name HB1 )) 2.300 0.700 0.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.59671E-02 ppm1 7.681 ppm2 2.230 CV 1 ASSI { 63} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 90 and name HB1 )) 3.500 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.47145E-03 ppm1 7.682 ppm2 1.443 CV 1 ASSI { 64} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 43 and name HG1 )) 2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.34125E-02 ppm1 7.682 ppm2 2.397 CV 1 ASSI { 66} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HA )) 2.800 1.000 1.000 peak 66 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 9.110 ppm2 3.211 CV 1 ASSI { 67} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 127 and name HA )) 2.800 1.000 1.000 peak 67 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 9.107 ppm2 4.141 CV 1 ASSI { 68} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 106 and name HA )) 2.900 2.900 3.100 peak 68 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 7.861 ppm2 4.761 CV 1 ASSI { 69} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HA )) 2.900 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.16767E-02 ppm1 7.860 ppm2 3.554 CV 1 ASSI { 70} (( segid "A " and resid 106 and name HD21)) (( segid "A " and resid 103 and name HA )) 3.400 1.400 1.400 peak 70 spectrum 1 weight 0.10000E+01 volume 0.59966E-03 ppm1 7.715 ppm2 4.247 CV 1 ASSI { 71} (( segid "A " and resid 106 and name HD21)) (( segid "A " and resid 106 and name HN )) 3.500 1.500 1.500 peak 71 spectrum 1 weight 0.10000E+01 volume 0.50597E-03 ppm1 7.727 ppm2 8.412 CV 1 ASSI { 72} (( segid "A " and resid 69 and name HD21)) (( segid "A " and resid 69 and name HB2 )) 2.300 0.600 0.600 peak 72 spectrum 1 weight 0.10000E+01 volume 0.68153E-02 ppm1 7.581 ppm2 3.297 CV 1 ASSI { 73} (( segid "A " and resid 44 and name HD21)) (( segid "A " and resid 44 and name HB2 )) 2.300 0.700 0.700 peak 73 spectrum 1 weight 0.10000E+01 volume 0.54641E-02 ppm1 7.549 ppm2 2.859 CV 1 ASSI { 74} (( segid "A " and resid 44 and name HD21)) (( segid "A " and resid 44 and name HN )) 4.200 2.200 1.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.17161E-03 ppm1 7.552 ppm2 8.956 CV 1 ASSI { 76} (( segid "A " and resid 93 and name HD21)) (( segid "A " and resid 93 and name HB2 )) 2.500 0.800 0.800 peak 76 spectrum 1 weight 0.10000E+01 volume 0.35013E-02 ppm1 7.524 ppm2 2.932 CV 1 ASSI { 77} (( segid "A " and resid 93 and name HD21)) (( segid "A " and resid 93 and name HB1 )) 3.000 1.100 1.100 peak 77 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 7.520 ppm2 2.686 CV 1 ASSI { 78} (( segid "A " and resid 54 and name HE21)) (( segid "A " and resid 54 and name HB1 )) 2.800 1.000 1.000 peak 78 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 6.865 ppm2 2.321 CV 1 OR { 78} (( segid "A " and resid 54 and name HE21)) (( segid "A " and resid 54 and name HB2 )) ASSI { 79} (( segid "A " and resid 28 and name HD22)) (( segid "A " and resid 31 and name HB2 )) 5.900 4.300 0.100 peak 79 spectrum 1 weight 0.10000E+01 volume 0.21797E-04 ppm1 6.939 ppm2 1.577 CV 1 ASSI { 80} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 89 and name HB1 )) 3.200 1.200 1.200 peak 80 spectrum 1 weight 0.10000E+01 volume 0.91133E-03 ppm1 6.113 ppm2 2.195 CV 1 OR { 80} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 89 and name HB2 )) ASSI { 81} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 89 and name HG2 )) 3.300 1.300 1.300 peak 81 spectrum 1 weight 0.10000E+01 volume 0.76733E-03 ppm1 6.121 ppm2 1.653 CV 1 ASSI { 82} (( segid "A " and resid 89 and name HE )) ( segid "A " and resid 26 and name HG2%) 2.700 2.700 3.300 peak 82 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 6.115 ppm2 0.902 CV 1 ASSI { 83} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 100 and name HB1 )) 3.800 1.800 1.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.30377E-03 ppm1 6.117 ppm2 2.534 CV 1 ASSI { 84} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 89 and name HA )) 4.000 2.000 2.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.22389E-03 ppm1 6.108 ppm2 3.803 CV 1 ASSI { 85} (( segid "A " and resid 89 and name HE )) (( segid "A " and resid 94 and name HA )) 3.600 3.600 2.400 peak 85 spectrum 1 weight 0.10000E+01 volume 0.41523E-03 ppm1 6.110 ppm2 4.056 CV 1 ASSI { 86} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 41 and name HD% ) 2.900 2.900 3.100 peak 86 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 7.847 ppm2 7.089 CV 1 ASSI { 87} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 41 and name HE% ) 2.700 2.700 3.300 peak 87 spectrum 1 weight 0.10000E+01 volume 0.25052E-02 ppm1 7.847 ppm2 6.602 CV 1 ASSI { 88} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HN )) 2.400 0.700 0.700 peak 88 spectrum 1 weight 0.10000E+01 volume 0.52865E-02 ppm1 7.464 ppm2 7.842 CV 1 ASSI { 90} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 60 and name HD% ) 4.100 2.100 1.900 peak 90 spectrum 1 weight 0.10000E+01 volume 0.18444E-03 ppm1 8.157 ppm2 6.228 CV 1 ASSI { 91} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HN )) 2.500 0.800 0.800 peak 91 spectrum 1 weight 0.10000E+01 volume 0.36986E-02 ppm1 8.747 ppm2 7.041 CV 1 ASSI { 92} (( segid "A " and resid 133 and name HN )) ( segid "A " and resid 133 and name HD% ) 2.900 2.900 3.100 peak 92 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.743 ppm2 6.690 CV 1 ASSI { 93} (( segid "A " and resid 133 and name HN )) ( segid "A " and resid 109 and name HE% ) 3.400 1.400 1.400 peak 93 spectrum 1 weight 0.10000E+01 volume 0.59867E-03 ppm1 8.750 ppm2 6.451 CV 1 ASSI { 94} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 54 and name HN )) 3.100 3.100 2.900 peak 94 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 7.852 ppm2 8.534 CV 1 ASSI { 95} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 53 and name HB2 )) 2.100 0.500 0.500 peak 95 spectrum 1 weight 0.10000E+01 volume 0.10849E-01 ppm1 7.852 ppm2 3.144 CV 1 OR { 95} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 53 and name HB1 )) ASSI { 96} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 51 and name HB2 )) 3.500 3.500 2.500 peak 96 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 7.850 ppm2 3.709 CV 1 ASSI { 97} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 129 and name HD1%) 3.100 3.100 2.900 peak 97 spectrum 1 weight 0.10000E+01 volume 0.93792E-03 ppm1 7.851 ppm2 0.570 CV 1 OR { 97} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 129 and name HD2%) ASSI { 99} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HA )) 2.900 1.000 1.000 peak 99 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 8.503 ppm2 4.518 CV 1 ASSI { 100} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 74 and name HB2 )) 3.200 3.200 2.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.86794E-03 ppm1 8.507 ppm2 3.390 CV 1 ASSI { 103} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 115 and name HN )) 3.000 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 7.449 ppm2 8.239 CV 1 ASSI { 104} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 117 and name HN )) 3.400 1.400 1.400 peak 104 spectrum 1 weight 0.10000E+01 volume 0.60953E-03 ppm1 7.449 ppm2 8.519 CV 1 ASSI { 105} (( segid "A " and resid 116 and name HN )) ( segid "A " and resid 115 and name HD% ) 4.000 2.000 2.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.23276E-03 ppm1 7.448 ppm2 6.991 CV 1 ASSI { 106} (( segid "A " and resid 116 and name HN )) ( segid "A " and resid 115 and name HE% ) 3.500 3.500 2.500 peak 106 spectrum 1 weight 0.10000E+01 volume 0.46257E-03 ppm1 7.454 ppm2 6.686 CV 1 ASSI { 107} (( segid "A " and resid 116 and name HN )) ( segid "A " and resid 123 and name HG1%) 3.300 1.300 1.300 peak 107 spectrum 1 weight 0.10000E+01 volume 0.73874E-03 ppm1 7.450 ppm2 1.137 CV 1 ASSI { 108} (( segid "A " and resid 69 and name HD21)) (( segid "A " and resid 69 and name HB1 )) 2.700 0.900 0.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 7.585 ppm2 2.634 CV 1 ASSI { 109} (( segid "A " and resid 69 and name HD21)) (( segid "A " and resid 69 and name HD22)) 1.800 0.400 0.400 peak 109 spectrum 1 weight 0.10000E+01 volume 0.31364E-01 ppm1 7.583 ppm2 6.743 CV 1 ASSI { 110} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 116 and name HA )) 2.200 0.600 0.600 peak 110 spectrum 1 weight 0.10000E+01 volume 0.77621E-02 ppm1 8.525 ppm2 4.704 CV 1 ASSI { 111} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HN )) 2.500 0.800 0.800 peak 111 spectrum 1 weight 0.10000E+01 volume 0.33337E-02 ppm1 7.759 ppm2 8.690 CV 1 ASSI { 112} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 75 and name HN )) 3.200 1.300 1.300 peak 112 spectrum 1 weight 0.10000E+01 volume 0.90739E-03 ppm1 7.762 ppm2 7.247 CV 1 ASSI { 113} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB2 )) 2.600 0.800 0.800 peak 113 spectrum 1 weight 0.10000E+01 volume 0.29391E-02 ppm1 7.756 ppm2 2.734 CV 1 ASSI { 114} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HB1 )) 2.700 0.900 0.900 peak 114 spectrum 1 weight 0.10000E+01 volume 0.24262E-02 ppm1 7.758 ppm2 2.367 CV 1 ASSI { 115} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 65 and name HB% ) 2.700 2.700 3.300 peak 115 spectrum 1 weight 0.10000E+01 volume 0.26038E-02 ppm1 7.759 ppm2 1.543 CV 1 ASSI { 116} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 70 and name HB2 )) 2.800 2.800 3.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 7.756 ppm2 1.722 CV 1 ASSI { 117} (( segid "A " and resid 73 and name HN )) ( segid "A " and resid 70 and name HD1%) 3.900 1.900 1.900 peak 117 spectrum 1 weight 0.10000E+01 volume 0.24559E-03 ppm1 7.759 ppm2 0.502 CV 1 ASSI { 118} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 73 and name HA )) 2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.21205E-02 ppm1 7.759 ppm2 3.570 CV 1 ASSI { 119} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 113 and name HN )) 4.000 2.000 2.000 peak 119 spectrum 1 weight 0.10000E+01 volume 0.21699E-03 ppm1 8.837 ppm2 7.728 CV 1 ASSI { 120} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 112 and name HN )) 2.900 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 8.837 ppm2 6.942 CV 1 ASSI { 121} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 44 and name HB2 )) 2.500 0.800 0.800 peak 121 spectrum 1 weight 0.10000E+01 volume 0.36789E-02 ppm1 6.912 ppm2 2.850 CV 1 OR { 121} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 44 and name HB1 )) ASSI { 122} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 140 and name HA )) 2.500 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.39057E-02 ppm1 7.056 ppm2 2.821 CV 1 ASSI { 124} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 113 and name HN )) 2.800 1.000 1.000 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 6.938 ppm2 7.722 CV 1 ASSI { 125} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 111 and name HB1 )) 3.500 1.500 1.500 peak 125 spectrum 1 weight 0.10000E+01 volume 0.49216E-03 ppm1 6.940 ppm2 2.598 CV 1 ASSI { 127} (( segid "A " and resid 115 and name HN )) ( segid "A " and resid 115 and name HD% ) 3.200 3.200 2.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.81271E-03 ppm1 8.238 ppm2 6.996 CV 1 ASSI { 128} (( segid "A " and resid 115 and name HN )) (( segid "A " and resid 113 and name HA )) 2.700 2.700 3.300 peak 128 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 8.239 ppm2 4.767 CV 1 ASSI { 129} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 25 and name HA )) 1.900 0.400 0.400 peak 129 spectrum 1 weight 0.10000E+01 volume 0.20515E-01 ppm1 8.241 ppm2 4.327 CV 1 ASSI { 130} (( segid "A " and resid 26 and name HN )) (( segid "A " and resid 25 and name HG2 )) 2.700 0.900 0.900 peak 130 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 8.239 ppm2 2.286 CV 1 ASSI { 133} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 65 and name HN )) 4.600 4.600 1.400 peak 133 spectrum 1 weight 0.10000E+01 volume 0.99618E-04 ppm1 7.921 ppm2 8.614 CV 1 ASSI { 134} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 69 and name HN )) 4.700 2.800 1.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.84328E-04 ppm1 7.921 ppm2 7.492 CV 1 ASSI { 135} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 64 and name HA )) 3.700 1.700 1.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.35408E-03 ppm1 7.925 ppm2 4.693 CV 1 ASSI { 136} (( segid "A " and resid 121 and name HN )) (( segid "A " and resid 121 and name HB2 )) 4.400 2.400 1.600 peak 136 spectrum 1 weight 0.10000E+01 volume 0.12427E-03 ppm1 9.284 ppm2 2.627 CV 1 ASSI { 137} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 121 and name HN )) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.88470E-03 ppm1 7.959 ppm2 9.289 CV 1 ASSI { 139} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HN )) 2.400 0.700 0.700 peak 139 spectrum 1 weight 0.10000E+01 volume 0.51977E-02 ppm1 7.952 ppm2 6.819 CV 1 ASSI { 140} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 119 and name HA )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.22783E-02 ppm1 7.954 ppm2 4.261 CV 1 ASSI { 141} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 123 and name HA )) 3.100 3.100 2.900 peak 141 spectrum 1 weight 0.10000E+01 volume 0.99618E-03 ppm1 7.950 ppm2 3.846 CV 1 ASSI { 142} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 123 and name HB )) 3.000 1.100 1.100 peak 142 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 7.955 ppm2 2.297 CV 1 ASSI { 143} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 117 and name HB2 )) 2.900 1.000 1.000 peak 143 spectrum 1 weight 0.10000E+01 volume 0.16273E-02 ppm1 7.953 ppm2 1.777 CV 1 OR { 143} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 117 and name HB1 )) ASSI { 144} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HN )) 2.900 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.14794E-02 ppm1 9.202 ppm2 8.373 CV 1 ASSI { 145} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 43 and name HN )) 2.800 1.000 1.000 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 8.896 ppm2 8.329 CV 1 ASSI { 146} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HN )) 2.800 1.000 1.000 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 8.739 ppm2 8.389 CV 1 ASSI { 147} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 39 and name HN )) 2.700 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.23276E-02 ppm1 7.998 ppm2 8.388 CV 1 ASSI { 148} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HN )) 2.600 0.900 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 7.991 ppm2 8.344 CV 1 ASSI { 149} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 91 and name HN )) 3.600 1.600 1.600 peak 149 spectrum 1 weight 0.10000E+01 volume 0.43693E-03 ppm1 7.902 ppm2 8.351 CV 1 ASSI { 150} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HN )) 2.700 0.900 0.900 peak 150 spectrum 1 weight 0.10000E+01 volume 0.24460E-02 ppm1 7.167 ppm2 8.376 CV 1 ASSI { 151} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HN )) 3.600 1.600 1.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.40044E-03 ppm1 8.550 ppm2 9.300 CV 1 ASSI { 152} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 122 and name HB )) 2.800 1.000 1.000 peak 152 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 8.549 ppm2 1.759 CV 1 ASSI { 153} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 120 and name HN )) 6.000 6.000 0.000 peak 153 spectrum 1 weight 0.10000E+01 volume 0.47243E-05 ppm1 8.546 ppm2 7.928 CV 1 ASSI { 154} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 21 and name HA )) 2.200 0.600 0.600 peak 154 spectrum 1 weight 0.10000E+01 volume 0.74662E-02 ppm1 8.557 ppm2 4.450 CV 1 ASSI { 155} (( segid "A " and resid 22 and name HN )) (( segid "A " and resid 21 and name HB2 )) 2.700 0.900 0.900 peak 155 spectrum 1 weight 0.10000E+01 volume 0.22093E-02 ppm1 8.557 ppm2 2.299 CV 1 ASSI { 156} (( segid "A " and resid 22 and name HN )) ( segid "A " and resid 22 and name HD1%) 3.900 1.900 1.900 peak 156 spectrum 1 weight 0.10000E+01 volume 0.25940E-03 ppm1 8.562 ppm2 0.921 CV 1 ASSI { 157} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 22 and name HA )) 2.200 0.600 0.600 peak 157 spectrum 1 weight 0.10000E+01 volume 0.79100E-02 ppm1 8.455 ppm2 4.356 CV 1 ASSI { 158} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HA2 )) 2.100 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.11638E-01 ppm1 8.456 ppm2 4.001 CV 1 OR { 158} (( segid "A " and resid 23 and name HN )) (( segid "A " and resid 23 and name HA1 )) ASSI { 159} (( segid "A " and resid 23 and name HN )) ( segid "A " and resid 22 and name HD2%) 3.600 1.600 1.600 peak 159 spectrum 1 weight 0.10000E+01 volume 0.41128E-03 ppm1 8.457 ppm2 0.902 CV 1 ASSI { 160} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 23 and name HA1 )) 2.100 0.600 0.600 peak 160 spectrum 1 weight 0.10000E+01 volume 0.10158E-01 ppm1 8.171 ppm2 4.012 CV 1 ASSI { 161} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 24 and name HB2 )) 2.200 0.600 0.600 peak 161 spectrum 1 weight 0.10000E+01 volume 0.88075E-02 ppm1 8.172 ppm2 3.851 CV 1 ASSI { 162} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 21 and name HG2 )) 3.900 1.900 1.900 peak 162 spectrum 1 weight 0.10000E+01 volume 0.26038E-03 ppm1 8.167 ppm2 2.024 CV 1 OR { 162} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 21 and name HG1 )) ASSI { 163} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 22 and name HD1%) 3.500 3.500 2.500 peak 163 spectrum 1 weight 0.10000E+01 volume 0.46947E-03 ppm1 8.168 ppm2 0.888 CV 1 OR { 163} (( segid "A " and resid 24 and name HN )) ( segid "A " and resid 22 and name HD2%) ASSI { 164} (( segid "A " and resid 24 and name HN )) (( segid "A " and resid 25 and name HN )) 3.000 3.000 3.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 8.172 ppm2 8.659 CV 1 ASSI { 165} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 26 and name HN )) 2.800 2.800 3.200 peak 165 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 8.664 ppm2 8.205 CV 1 ASSI { 166} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HA )) 2.000 0.500 0.500 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12723E-01 ppm1 8.662 ppm2 4.464 CV 1 ASSI { 167} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 24 and name HB1 )) 2.400 0.700 0.700 peak 167 spectrum 1 weight 0.10000E+01 volume 0.50301E-02 ppm1 8.662 ppm2 3.829 CV 1 ASSI { 168} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HG1 )) 2.300 0.600 0.600 peak 168 spectrum 1 weight 0.10000E+01 volume 0.66180E-02 ppm1 8.661 ppm2 2.289 CV 1 ASSI { 169} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HB1 )) 2.400 2.400 3.600 peak 169 spectrum 1 weight 0.10000E+01 volume 0.49019E-02 ppm1 8.662 ppm2 2.031 CV 1 ASSI { 170} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 26 and name HG1%) 3.300 3.300 2.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.73775E-03 ppm1 8.665 ppm2 0.889 CV 1 OR { 170} (( segid "A " and resid 25 and name HN )) ( segid "A " and resid 26 and name HG2%) ASSI { 171} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HN )) 2.100 0.600 0.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.93996E-02 ppm1 8.008 ppm2 8.244 CV 1 ASSI { 173} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HA )) 2.900 1.100 1.100 peak 173 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 8.008 ppm2 4.547 CV 1 ASSI { 174} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 25 and name HA )) 2.900 1.000 1.000 peak 174 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 8.011 ppm2 4.332 CV 1 ASSI { 175} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 26 and name HA )) 2.500 0.800 0.800 peak 175 spectrum 1 weight 0.10000E+01 volume 0.33929E-02 ppm1 8.009 ppm2 4.060 CV 1 ASSI { 176} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HB2 )) 2.300 0.700 0.700 peak 176 spectrum 1 weight 0.10000E+01 volume 0.59079E-02 ppm1 8.009 ppm2 3.794 CV 1 OR { 176} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 27 and name HB1 )) ASSI { 177} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 25 and name HG2 )) 2.600 0.900 0.900 peak 177 spectrum 1 weight 0.10000E+01 volume 0.28800E-02 ppm1 8.008 ppm2 2.309 CV 1 ASSI { 178} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 26 and name HG1%) 2.200 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.89161E-02 ppm1 8.009 ppm2 0.865 CV 1 ASSI { 179} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 94 and name HD% ) 3.400 1.400 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.58586E-03 ppm1 8.013 ppm2 6.367 CV 1 ASSI { 180} (( segid "A " and resid 27 and name HN )) ( segid "A " and resid 94 and name HE% ) 4.000 2.000 2.000 peak 180 spectrum 1 weight 0.10000E+01 volume 0.22685E-03 ppm1 8.009 ppm2 6.651 CV 1 ASSI { 181} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 53 and name HB1 )) 2.800 1.000 1.000 peak 181 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 7.851 ppm2 3.142 CV 1 ASSI { 182} (( segid "A " and resid 27 and name HN )) (( segid "A " and resid 92 and name HB2 )) 3.100 3.100 2.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.010 ppm2 3.028 CV 1 ASSI { 183} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 133 and name HB2 )) 2.600 0.900 0.900 peak 183 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 8.749 ppm2 3.500 CV 1 ASSI { 184} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 133 and name HB1 )) 2.800 1.000 1.000 peak 184 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 8.745 ppm2 3.026 CV 1 ASSI { 185} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HB2 )) 2.900 1.000 1.000 peak 185 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 8.780 ppm2 2.737 CV 1 ASSI { 186} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HB1 )) 2.600 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.30476E-02 ppm1 8.780 ppm2 2.837 CV 1 ASSI { 187} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HA )) 2.300 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.58290E-02 ppm1 8.778 ppm2 4.564 CV 1 ASSI { 188} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 28 and name HA )) 2.600 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 8.778 ppm2 4.997 CV 1 ASSI { 189} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 94 and name HD% ) 3.100 1.200 1.200 peak 189 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 8.778 ppm2 6.381 CV 1 ASSI { 190} (( segid "A " and resid 28 and name HN )) (( segid "A " and resid 27 and name HN )) 3.000 1.100 1.100 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 8.780 ppm2 7.995 CV 1 ASSI { 191} (( segid "A " and resid 28 and name HN )) ( segid "A " and resid 94 and name HE% ) 3.200 1.300 1.300 peak 191 spectrum 1 weight 0.10000E+01 volume 0.85413E-03 ppm1 8.780 ppm2 6.628 CV 1 ASSI { 192} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HA )) 2.900 2.900 3.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 8.292 ppm2 4.997 CV 1 ASSI { 193} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HD22)) 4.100 2.100 1.900 peak 193 spectrum 1 weight 0.10000E+01 volume 0.17951E-03 ppm1 8.294 ppm2 6.950 CV 1 ASSI { 194} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 31 and name HN )) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.87188E-02 ppm1 8.292 ppm2 7.891 CV 1 ASSI { 195} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 28 and name HB2 )) 3.600 3.600 2.400 peak 195 spectrum 1 weight 0.10000E+01 volume 0.42114E-03 ppm1 8.291 ppm2 2.758 CV 1 ASSI { 196} (( segid "A " and resid 30 and name HN )) (( segid "A " and resid 29 and name HB2 )) 2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 8.296 ppm2 2.240 CV 1 ASSI { 198} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HA )) 2.500 0.800 0.800 peak 198 spectrum 1 weight 0.10000E+01 volume 0.37578E-02 ppm1 7.892 ppm2 4.585 CV 1 ASSI { 199} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HA )) 2.100 2.100 3.900 peak 199 spectrum 1 weight 0.10000E+01 volume 0.97051E-02 ppm1 7.891 ppm2 4.400 CV 1 ASSI { 200} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 30 and name HB2 )) 2.300 0.700 0.700 peak 200 spectrum 1 weight 0.10000E+01 volume 0.62728E-02 ppm1 7.891 ppm2 3.833 CV 1 ASSI { 201} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 32 and name HD1 )) 3.300 1.400 1.400 peak 201 spectrum 1 weight 0.10000E+01 volume 0.66673E-03 ppm1 7.890 ppm2 3.598 CV 1 ASSI { 202} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 28 and name HB1 )) 3.100 1.200 1.200 peak 202 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 7.892 ppm2 2.862 CV 1 ASSI { 203} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HB2 )) 3.800 1.800 1.800 peak 203 spectrum 1 weight 0.10000E+01 volume 0.29293E-03 ppm1 7.892 ppm2 2.253 CV 1 ASSI { 204} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HG2 )) 3.000 1.100 1.100 peak 204 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 7.888 ppm2 1.951 CV 1 ASSI { 205} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 31 and name HB1 )) 2.200 0.600 0.600 peak 205 spectrum 1 weight 0.10000E+01 volume 0.86498E-02 ppm1 7.894 ppm2 1.696 CV 1 ASSI { 206} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HB2 )) 2.500 0.800 0.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.33041E-02 ppm1 8.005 ppm2 2.265 CV 1 ASSI { 207} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HA1 )) 2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.53752E-02 ppm1 8.005 ppm2 3.912 CV 1 ASSI { 208} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 33 and name HA2 )) 2.400 0.700 0.700 peak 208 spectrum 1 weight 0.10000E+01 volume 0.50103E-02 ppm1 8.004 ppm2 4.165 CV 1 ASSI { 209} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 32 and name HA )) 1.900 0.500 0.500 peak 209 spectrum 1 weight 0.10000E+01 volume 0.19233E-01 ppm1 8.005 ppm2 4.473 CV 1 ASSI { 210} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 96 and name HZ3 )) 4.500 2.600 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.10455E-03 ppm1 8.007 ppm2 7.063 CV 1 ASSI { 211} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 96 and name HE3 )) 3.600 1.600 1.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.43988E-03 ppm1 8.005 ppm2 7.405 CV 1 ASSI { 212} (( segid "A " and resid 33 and name HN )) (( segid "A " and resid 34 and name HN )) 3.100 1.200 1.200 peak 212 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 8.009 ppm2 8.454 CV 1 ASSI { 214} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HD1%) 3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.49413E-03 ppm1 8.440 ppm2 0.505 CV 1 ASSI { 215} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HB2 )) 2.900 1.100 1.100 peak 215 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 8.439 ppm2 1.736 CV 1 ASSI { 216} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HB2 )) 4.200 2.200 1.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.16077E-03 ppm1 8.441 ppm2 3.298 CV 1 ASSI { 217} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 65 and name HA )) 3.300 1.300 1.300 peak 217 spectrum 1 weight 0.10000E+01 volume 0.72295E-03 ppm1 8.441 ppm2 3.603 CV 1 ASSI { 218} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 70 and name HA )) 3.500 1.500 1.500 peak 218 spectrum 1 weight 0.10000E+01 volume 0.52175E-03 ppm1 8.441 ppm2 5.128 CV 1 ASSI { 219} (( segid "A " and resid 70 and name HN )) (( segid "A " and resid 69 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 8.441 ppm2 7.460 CV 1 ASSI { 220} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HG1 )) 3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.52076E-03 ppm1 8.356 ppm2 1.149 CV 1 OR { 220} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HG2 )) ASSI { 221} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HB1 )) 2.400 0.700 0.700 peak 221 spectrum 1 weight 0.10000E+01 volume 0.45468E-02 ppm1 8.357 ppm2 1.432 CV 1 ASSI { 222} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HB1 )) 2.300 0.700 0.700 peak 222 spectrum 1 weight 0.10000E+01 volume 0.63221E-02 ppm1 8.356 ppm2 1.753 CV 1 ASSI { 223} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HE2 )) 3.900 1.900 1.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.25841E-03 ppm1 8.356 ppm2 3.004 CV 1 OR { 223} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 35 and name HE1 )) ASSI { 224} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 34 and name HE )) 3.900 1.900 1.900 peak 224 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 8.347 ppm2 6.343 CV 1 ASSI { 225} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HN )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.17458E-03 ppm1 8.356 ppm2 7.060 CV 1 ASSI { 226} (( segid "A " and resid 70 and name HN )) ( segid "A " and resid 70 and name HD2%) 2.600 0.900 0.900 peak 226 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 8.441 ppm2 0.915 CV 1 ASSI { 227} (( segid "A " and resid 35 and name HN )) (( segid "A " and resid 36 and name HA )) 4.700 2.700 1.300 peak 227 spectrum 1 weight 0.10000E+01 volume 0.85512E-04 ppm1 8.361 ppm2 5.395 CV 1 ASSI { 228} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 46 and name HN )) 2.100 0.600 0.600 peak 228 spectrum 1 weight 0.10000E+01 volume 0.95177E-02 ppm1 8.235 ppm2 7.528 CV 1 ASSI { 229} (( segid "A " and resid 45 and name HN )) ( segid "A " and resid 45 and name HG2%) 2.100 0.600 0.600 peak 229 spectrum 1 weight 0.10000E+01 volume 0.93700E-02 ppm1 8.231 ppm2 0.644 CV 1 ASSI { 230} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 45 and name HB )) 3.300 1.300 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.73084E-03 ppm1 8.233 ppm2 1.080 CV 1 ASSI { 232} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 96 and name HE1 )) 6.000 4.900 0.000 peak 232 spectrum 1 weight 0.10000E+01 volume 0.14992E-04 ppm1 7.051 ppm2 10.222 CV 1 ASSI { 233} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HB2 )) 2.900 1.000 1.000 peak 233 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 7.084 ppm2 3.711 CV 1 ASSI { 234} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 53 and name HN )) 2.500 0.800 0.800 peak 234 spectrum 1 weight 0.10000E+01 volume 0.41030E-02 ppm1 7.082 ppm2 7.853 CV 1 ASSI { 235} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 51 and name HB1 )) 2.500 0.800 0.800 peak 235 spectrum 1 weight 0.10000E+01 volume 0.41424E-02 ppm1 7.082 ppm2 3.200 CV 1 ASSI { 236} (( segid "A " and resid 52 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.000 0.500 0.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16176E-01 ppm1 7.081 ppm2 2.056 CV 1 ASSI { 238} (( segid "A " and resid 135 and name HE21)) (( segid "A " and resid 135 and name HE22)) 3.600 3.600 2.400 peak 238 spectrum 1 weight 0.10000E+01 volume 0.43594E-03 ppm1 7.064 ppm2 6.730 CV 1 ASSI { 239} (( segid "A " and resid 36 and name HN )) (( segid "A " and resid 36 and name HA )) 2.800 1.000 1.000 peak 239 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 7.057 ppm2 5.392 CV 1 ASSI { 240} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HA )) 2.700 0.900 0.900 peak 240 spectrum 1 weight 0.10000E+01 volume 0.25742E-02 ppm1 9.513 ppm2 5.414 CV 1 ASSI { 241} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HB )) 2.800 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.17753E-02 ppm1 9.515 ppm2 4.512 CV 1 ASSI { 242} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 144 and name HA )) 4.200 2.200 1.800 peak 242 spectrum 1 weight 0.10000E+01 volume 0.17359E-03 ppm1 9.510 ppm2 4.840 CV 1 ASSI { 243} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 243 spectrum 1 weight 0.10000E+01 volume 0.14597E-02 ppm1 9.513 ppm2 3.041 CV 1 ASSI { 244} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 36 and name HN )) 3.500 1.500 1.500 peak 244 spectrum 1 weight 0.10000E+01 volume 0.51977E-03 ppm1 9.512 ppm2 7.082 CV 1 ASSI { 246} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 38 and name HN )) 2.900 1.100 1.100 peak 246 spectrum 1 weight 0.10000E+01 volume 0.13808E-02 ppm1 9.512 ppm2 8.007 CV 1 ASSI { 247} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 39 and name HN )) 3.700 1.700 1.700 peak 247 spectrum 1 weight 0.10000E+01 volume 0.38268E-03 ppm1 9.511 ppm2 8.398 CV 1 ASSI { 248} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 146 and name HG1 )) 3.300 3.300 2.700 peak 248 spectrum 1 weight 0.10000E+01 volume 0.71703E-03 ppm1 9.512 ppm2 2.381 CV 1 ASSI { 249} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 147 and name HG )) 2.800 1.000 1.000 peak 249 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 9.513 ppm2 1.382 CV 1 ASSI { 250} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 36 and name HG2%) 2.500 2.500 3.500 peak 250 spectrum 1 weight 0.10000E+01 volume 0.33337E-02 ppm1 8.000 ppm2 0.844 CV 1 ASSI { 251} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HA )) 2.700 0.900 0.900 peak 251 spectrum 1 weight 0.10000E+01 volume 0.23868E-02 ppm1 8.005 ppm2 3.918 CV 1 ASSI { 252} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 144 and name HA )) 3.400 1.500 1.500 peak 252 spectrum 1 weight 0.10000E+01 volume 0.54148E-03 ppm1 8.002 ppm2 4.840 CV 1 ASSI { 253} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 36 and name HA )) 3.900 1.900 1.900 peak 253 spectrum 1 weight 0.10000E+01 volume 0.25052E-03 ppm1 8.002 ppm2 5.428 CV 1 ASSI { 254} (( segid "A " and resid 38 and name HN )) ( segid "A " and resid 41 and name HD% ) 3.200 3.200 2.800 peak 254 spectrum 1 weight 0.10000E+01 volume 0.83638E-03 ppm1 8.003 ppm2 7.112 CV 1 ASSI { 257} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 36 and name HN )) 3.100 1.200 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.10553E-02 ppm1 8.393 ppm2 7.073 CV 1 ASSI { 259} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 36 and name HB )) 4.600 2.600 1.400 peak 259 spectrum 1 weight 0.10000E+01 volume 0.98436E-04 ppm1 8.400 ppm2 4.520 CV 1 ASSI { 260} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HA )) 3.000 1.100 1.100 peak 260 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 8.396 ppm2 3.980 CV 1 ASSI { 261} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 38 and name HB1 )) 2.800 1.000 1.000 peak 261 spectrum 1 weight 0.10000E+01 volume 0.19825E-02 ppm1 8.397 ppm2 2.174 CV 1 ASSI { 262} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB1 )) 2.900 1.100 1.100 peak 262 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 8.398 ppm2 1.727 CV 1 ASSI { 263} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 39 and name HB2 )) 2.800 1.000 1.000 peak 263 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 8.396 ppm2 1.950 CV 1 ASSI { 264} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HG1 )) 3.200 3.200 2.800 peak 264 spectrum 1 weight 0.10000E+01 volume 0.86399E-03 ppm1 8.397 ppm2 2.359 CV 1 OR { 264} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 40 and name HG2 )) ASSI { 265} (( segid "A " and resid 39 and name HN )) (( segid "A " and resid 98 and name HN )) 4.300 2.300 1.700 peak 265 spectrum 1 weight 0.10000E+01 volume 0.14203E-03 ppm1 8.393 ppm2 10.356 CV 1 ASSI { 266} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HB2 )) 2.200 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.89555E-02 ppm1 8.740 ppm2 2.230 CV 1 ASSI { 267} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HA )) 2.600 0.900 0.900 peak 267 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 8.740 ppm2 4.204 CV 1 ASSI { 268} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HB1 )) 3.300 1.400 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.69139E-03 ppm1 8.741 ppm2 1.725 CV 1 ASSI { 269} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.400 1.400 1.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.58487E-03 ppm1 8.744 ppm2 0.915 CV 1 ASSI { 270} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HA )) 2.900 1.100 1.100 peak 270 spectrum 1 weight 0.10000E+01 volume 0.14400E-02 ppm1 8.739 ppm2 3.990 CV 1 ASSI { 271} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 37 and name HA )) 3.300 1.300 1.300 peak 271 spectrum 1 weight 0.10000E+01 volume 0.76536E-03 ppm1 8.739 ppm2 4.406 CV 1 ASSI { 272} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 36 and name HN )) 3.000 1.100 1.100 peak 272 spectrum 1 weight 0.10000E+01 volume 0.11935E-02 ppm1 8.742 ppm2 7.053 CV 1 ASSI { 273} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 41 and name HN )) 2.700 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.24066E-02 ppm1 8.742 ppm2 7.839 CV 1 ASSI { 274} (( segid "A " and resid 40 and name HN )) ( segid "A " and resid 39 and name HD1%) 2.300 0.700 0.700 peak 274 spectrum 1 weight 0.10000E+01 volume 0.55824E-02 ppm1 8.744 ppm2 0.839 CV 1 ASSI { 275} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HG2 )) 2.300 0.700 0.700 peak 275 spectrum 1 weight 0.10000E+01 volume 0.56317E-02 ppm1 8.739 ppm2 2.359 CV 1 OR { 275} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 40 and name HG1 )) ASSI { 276} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 39 and name HB2 )) 4.000 2.000 2.000 peak 276 spectrum 1 weight 0.10000E+01 volume 0.23671E-03 ppm1 8.741 ppm2 1.948 CV 1 ASSI { 277} (( segid "A " and resid 40 and name HN )) (( segid "A " and resid 98 and name HN )) 4.000 2.000 2.000 peak 277 spectrum 1 weight 0.10000E+01 volume 0.22783E-03 ppm1 8.734 ppm2 10.391 CV 1 ASSI { 278} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HB2 )) 2.500 0.800 0.800 peak 278 spectrum 1 weight 0.10000E+01 volume 0.35013E-02 ppm1 7.847 ppm2 2.224 CV 1 OR { 278} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 40 and name HB1 )) ASSI { 279} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 279 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 7.845 ppm2 3.441 CV 1 ASSI { 280} (( segid "A " and resid 41 and name HN )) ( segid "A " and resid 147 and name HD1%) 4.400 2.400 1.600 peak 280 spectrum 1 weight 0.10000E+01 volume 0.12329E-03 ppm1 7.843 ppm2 0.735 CV 1 ASSI { 281} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 43 and name HN )) 4.000 2.000 2.000 peak 281 spectrum 1 weight 0.10000E+01 volume 0.22487E-03 ppm1 7.845 ppm2 8.326 CV 1 ASSI { 282} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 42 and name HN )) 2.700 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 7.846 ppm2 8.884 CV 1 ASSI { 284} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 41 and name HA )) 2.600 0.900 0.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.27517E-02 ppm1 7.845 ppm2 4.344 CV 1 ASSI { 285} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 39 and name HA )) 3.000 3.000 3.000 peak 285 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 7.846 ppm2 3.937 CV 1 ASSI { 286} (( segid "A " and resid 41 and name HN )) (( segid "A " and resid 37 and name HN )) 6.000 4.800 0.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.16471E-04 ppm1 7.851 ppm2 9.488 CV 1 ASSI { 288} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 46 and name HN )) 4.600 2.600 1.400 peak 288 spectrum 1 weight 0.10000E+01 volume 0.98630E-04 ppm1 8.893 ppm2 7.542 CV 1 ASSI { 289} (( segid "A " and resid 42 and name HN )) ( segid "A " and resid 41 and name HD% ) 3.100 1.200 1.200 peak 289 spectrum 1 weight 0.10000E+01 volume 0.97051E-03 ppm1 8.896 ppm2 7.079 CV 1 ASSI { 290} (( segid "A " and resid 42 and name HN )) (( segid "A " and resid 47 and name HN )) 4.800 2.800 1.200 peak 290 spectrum 1 weight 0.10000E+01 volume 0.77226E-04 ppm1 8.888 ppm2 9.470 CV 1 ASSI { 291} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 109 and name HB2 )) 2.700 0.900 0.900 peak 291 spectrum 1 weight 0.10000E+01 volume 0.23178E-02 ppm1 8.674 ppm2 2.918 CV 1 OR { 291} (( segid "A " and resid 110 and name HN )) (( segid "A " and resid 109 and name HB1 )) ASSI { 292} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 84 and name HA1 )) 2.600 0.900 0.900 peak 292 spectrum 1 weight 0.10000E+01 volume 0.27715E-02 ppm1 8.693 ppm2 4.123 CV 1 ASSI { 293} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 25 and name HA )) 6.000 6.000 0.000 peak 293 spectrum 1 weight 0.10000E+01 volume 0.79495E-05 ppm1 7.769 ppm2 4.332 CV 1 ASSI { 294} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 30 and name HB2 )) 5.200 3.400 0.800 peak 294 spectrum 1 weight 0.10000E+01 volume 0.45271E-04 ppm1 7.773 ppm2 3.837 CV 1 ASSI { 295} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 28 and name HB1 )) 3.700 1.700 1.700 peak 295 spectrum 1 weight 0.10000E+01 volume 0.36789E-03 ppm1 7.777 ppm2 2.840 CV 1 ASSI { 296} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 31 and name HB1 )) 3.300 3.300 2.700 peak 296 spectrum 1 weight 0.10000E+01 volume 0.67561E-03 ppm1 7.777 ppm2 1.728 CV 1 ASSI { 297} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 28 and name HA )) 4.400 2.500 1.600 peak 297 spectrum 1 weight 0.10000E+01 volume 0.12032E-03 ppm1 7.773 ppm2 4.991 CV 1 ASSI { 298} (( segid "A " and resid 28 and name HD21)) (( segid "A " and resid 28 and name HD22)) 1.800 0.400 0.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.25348E-01 ppm1 7.775 ppm2 6.929 CV 1 ASSI { 300} (( segid "A " and resid 28 and name HD22)) (( segid "A " and resid 28 and name HB1 )) 3.300 1.300 1.300 peak 300 spectrum 1 weight 0.10000E+01 volume 0.73676E-03 ppm1 6.930 ppm2 2.852 CV 1 ASSI { 301} (( segid "A " and resid 106 and name HD22)) (( segid "A " and resid 106 and name HB1 )) 2.800 1.000 1.000 peak 301 spectrum 1 weight 0.10000E+01 volume 0.20021E-02 ppm1 7.007 ppm2 3.006 CV 1 OR { 301} (( segid "A " and resid 106 and name HD22)) (( segid "A " and resid 106 and name HB2 )) ASSI { 302} (( segid "A " and resid 106 and name HD21)) (( segid "A " and resid 106 and name HB1 )) 2.600 0.800 0.800 peak 302 spectrum 1 weight 0.10000E+01 volume 0.29688E-02 ppm1 7.715 ppm2 3.009 CV 1 ASSI { 303} (( segid "A " and resid 106 and name HD22)) ( segid "A " and resid 110 and name HG2%) 3.800 1.800 1.800 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29490E-03 ppm1 7.001 ppm2 1.435 CV 1 ASSI { 304} (( segid "A " and resid 106 and name HD21)) ( segid "A " and resid 110 and name HG2%) 5.000 3.100 1.000 peak 304 spectrum 1 weight 0.10000E+01 volume 0.60953E-04 ppm1 7.716 ppm2 1.436 CV 1 ASSI { 305} (( segid "A " and resid 106 and name HD22)) (( segid "A " and resid 106 and name HN )) 3.200 3.200 2.800 peak 305 spectrum 1 weight 0.10000E+01 volume 0.80678E-03 ppm1 7.003 ppm2 8.416 CV 1 ASSI { 307} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 98 and name HB% ) 3.100 1.200 1.200 peak 307 spectrum 1 weight 0.10000E+01 volume 0.97347E-03 ppm1 8.330 ppm2 1.381 CV 1 ASSI { 308} (( segid "A " and resid 43 and name HN )) ( segid "A " and resid 90 and name HD2%) 2.700 0.900 0.900 peak 308 spectrum 1 weight 0.10000E+01 volume 0.24559E-02 ppm1 8.332 ppm2 0.970 CV 1 ASSI { 309} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HA )) 2.600 0.900 0.900 peak 309 spectrum 1 weight 0.10000E+01 volume 0.26630E-02 ppm1 8.331 ppm2 4.045 CV 1 ASSI { 310} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HG1 )) 3.100 3.100 2.900 peak 310 spectrum 1 weight 0.10000E+01 volume 0.94983E-03 ppm1 8.331 ppm2 2.324 CV 1 OR { 310} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 43 and name HG2 )) ASSI { 311} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 41 and name HA )) 3.100 1.200 1.200 peak 311 spectrum 1 weight 0.10000E+01 volume 0.94088E-03 ppm1 8.332 ppm2 4.307 CV 1 ASSI { 312} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 46 and name HN )) 3.700 1.800 1.800 peak 312 spectrum 1 weight 0.10000E+01 volume 0.32745E-03 ppm1 8.340 ppm2 7.562 CV 1 ASSI { 314} (( segid "A " and resid 43 and name HN )) (( segid "A " and resid 41 and name HB2 )) 3.600 1.700 1.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.38761E-03 ppm1 8.328 ppm2 3.439 CV 1 ASSI { 315} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 91 and name HA )) 3.000 1.100 1.100 peak 315 spectrum 1 weight 0.10000E+01 volume 0.13512E-02 ppm1 7.679 ppm2 3.974 CV 1 ASSI { 316} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 43 and name HE22)) 1.800 0.400 0.400 peak 316 spectrum 1 weight 0.10000E+01 volume 0.29096E-01 ppm1 7.683 ppm2 6.807 CV 1 ASSI { 317} (( segid "A " and resid 43 and name HE22)) (( segid "A " and resid 44 and name HN )) 5.700 4.000 0.300 peak 317 spectrum 1 weight 0.10000E+01 volume 0.26827E-04 ppm1 6.811 ppm2 8.972 CV 1 ASSI { 318} (( segid "A " and resid 43 and name HE21)) (( segid "A " and resid 44 and name HN )) 5.500 3.700 0.500 peak 318 spectrum 1 weight 0.10000E+01 volume 0.34619E-04 ppm1 7.687 ppm2 8.952 CV 1 ASSI { 319} (( segid "A " and resid 43 and name HE22)) (( segid "A " and resid 91 and name HA )) 2.700 0.900 0.900 peak 319 spectrum 1 weight 0.10000E+01 volume 0.22093E-02 ppm1 6.808 ppm2 3.978 CV 1 ASSI { 320} (( segid "A " and resid 43 and name HE22)) (( segid "A " and resid 43 and name HB1 )) 2.500 0.800 0.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.40832E-02 ppm1 6.809 ppm2 2.230 CV 1 OR { 320} (( segid "A " and resid 43 and name HE22)) (( segid "A " and resid 43 and name HB2 )) ASSI { 321} (( segid "A " and resid 43 and name HE22)) (( segid "A " and resid 40 and name HG2 )) 3.000 1.100 1.100 peak 321 spectrum 1 weight 0.10000E+01 volume 0.13611E-02 ppm1 6.809 ppm2 2.418 CV 1 ASSI { 322} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 41 and name HA )) 2.700 2.700 3.300 peak 322 spectrum 1 weight 0.10000E+01 volume 0.21600E-02 ppm1 8.971 ppm2 4.301 CV 1 ASSI { 323} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HB2 )) 2.300 0.700 0.700 peak 323 spectrum 1 weight 0.10000E+01 volume 0.56416E-02 ppm1 8.973 ppm2 2.236 CV 1 ASSI { 324} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 48 and name HG1 )) 3.200 3.200 2.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.82947E-03 ppm1 8.975 ppm2 1.393 CV 1 ASSI { 325} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 45 and name HB )) 2.900 2.900 3.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 8.973 ppm2 1.001 CV 1 ASSI { 326} (( segid "A " and resid 44 and name HN )) ( segid "A " and resid 45 and name HG2%) 3.100 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.99618E-03 ppm1 8.970 ppm2 0.662 CV 1 ASSI { 327} (( segid "A " and resid 44 and name HN )) (( segid "A " and resid 43 and name HG2 )) 2.800 1.000 1.000 peak 327 spectrum 1 weight 0.10000E+01 volume 0.17063E-02 ppm1 8.973 ppm2 2.353 CV 1 ASSI { 329} (( segid "A " and resid 44 and name HD21)) (( segid "A " and resid 44 and name HA )) 3.700 1.700 1.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.35309E-03 ppm1 7.547 ppm2 4.577 CV 1 ASSI { 330} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 44 and name HD21)) 2.100 0.500 0.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.11836E-01 ppm1 6.912 ppm2 7.543 CV 1 ASSI { 331} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 44 and name HN )) 4.600 2.700 1.400 peak 331 spectrum 1 weight 0.10000E+01 volume 0.95076E-04 ppm1 6.910 ppm2 8.966 CV 1 ASSI { 332} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 43 and name HG2 )) 2.900 2.900 3.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 6.913 ppm2 2.418 CV 1 ASSI { 333} (( segid "A " and resid 44 and name HD22)) (( segid "A " and resid 40 and name HB1 )) 3.200 1.200 1.200 peak 333 spectrum 1 weight 0.10000E+01 volume 0.91725E-03 ppm1 6.913 ppm2 2.236 CV 1 ASSI { 334} (( segid "A " and resid 44 and name HD21)) (( segid "A " and resid 40 and name HG2 )) 2.900 2.900 3.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 7.545 ppm2 2.406 CV 1 OR { 334} (( segid "A " and resid 44 and name HD21)) (( segid "A " and resid 40 and name HG1 )) ASSI { 335} (( segid "A " and resid 44 and name HD21)) ( segid "A " and resid 45 and name HG2%) 4.300 2.400 1.700 peak 335 spectrum 1 weight 0.10000E+01 volume 0.13611E-03 ppm1 7.542 ppm2 0.683 CV 1 ASSI { 336} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 48 and name HN )) 4.400 2.500 1.600 peak 336 spectrum 1 weight 0.10000E+01 volume 0.11737E-03 ppm1 8.232 ppm2 6.298 CV 1 ASSI { 338} (( segid "A " and resid 45 and name HN )) (( segid "A " and resid 44 and name HN )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.33139E-02 ppm1 8.227 ppm2 8.960 CV 1 ASSI { 339} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 47 and name HN )) 3.000 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 7.555 ppm2 9.435 CV 1 ASSI { 341} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 46 and name HA )) 2.900 1.100 1.100 peak 341 spectrum 1 weight 0.10000E+01 volume 0.14005E-02 ppm1 7.559 ppm2 3.351 CV 1 ASSI { 342} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 136 and name HB1 )) 3.800 1.800 1.800 peak 342 spectrum 1 weight 0.10000E+01 volume 0.31364E-03 ppm1 7.546 ppm2 1.656 CV 1 ASSI { 343} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 47 and name HG1%) 3.300 1.400 1.400 peak 343 spectrum 1 weight 0.10000E+01 volume 0.66378E-03 ppm1 7.555 ppm2 1.301 CV 1 ASSI { 344} (( segid "A " and resid 46 and name HN )) (( segid "A " and resid 48 and name HN )) 3.800 1.800 1.800 peak 344 spectrum 1 weight 0.10000E+01 volume 0.31857E-03 ppm1 7.558 ppm2 6.249 CV 1 ASSI { 345} (( segid "A " and resid 46 and name HN )) ( segid "A " and resid 41 and name HE% ) 3.900 1.900 1.900 peak 345 spectrum 1 weight 0.10000E+01 volume 0.23967E-03 ppm1 7.555 ppm2 6.625 CV 1 ASSI { 346} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 45 and name HN )) 3.800 1.800 1.800 peak 346 spectrum 1 weight 0.10000E+01 volume 0.29589E-03 ppm1 9.448 ppm2 8.261 CV 1 ASSI { 348} (( segid "A " and resid 47 and name HN )) ( segid "A " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.36394E-03 ppm1 9.448 ppm2 7.060 CV 1 ASSI { 349} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 48 and name HN )) 2.700 0.900 0.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.21402E-02 ppm1 9.447 ppm2 6.284 CV 1 ASSI { 350} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 42 and name HA )) 2.900 1.100 1.100 peak 350 spectrum 1 weight 0.10000E+01 volume 0.15090E-02 ppm1 9.442 ppm2 4.335 CV 1 ASSI { 351} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HA )) 2.800 1.000 1.000 peak 351 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 9.445 ppm2 3.824 CV 1 ASSI { 352} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HA )) 3.700 1.700 1.700 peak 352 spectrum 1 weight 0.10000E+01 volume 0.37972E-03 ppm1 9.442 ppm2 3.353 CV 1 ASSI { 353} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 46 and name HB )) 2.600 0.900 0.900 peak 353 spectrum 1 weight 0.10000E+01 volume 0.27715E-02 ppm1 9.445 ppm2 2.844 CV 1 ASSI { 354} (( segid "A " and resid 47 and name HN )) (( segid "A " and resid 47 and name HB )) 2.500 0.800 0.800 peak 354 spectrum 1 weight 0.10000E+01 volume 0.34125E-02 ppm1 9.444 ppm2 2.534 CV 1 ASSI { 355} (( segid "A " and resid 47 and name HN )) ( segid "A " and resid 47 and name HG1%) 2.300 0.700 0.700 peak 355 spectrum 1 weight 0.10000E+01 volume 0.63419E-02 ppm1 9.446 ppm2 1.292 CV 1 ASSI { 356} (( segid "A " and resid 47 and name HN )) ( segid "A " and resid 133 and name HD% ) 3.900 1.900 1.900 peak 356 spectrum 1 weight 0.10000E+01 volume 0.27024E-03 ppm1 9.441 ppm2 6.681 CV 1 ASSI { 357} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 44 and name HA )) 2.800 1.000 1.000 peak 357 spectrum 1 weight 0.10000E+01 volume 0.18542E-02 ppm1 6.283 ppm2 4.554 CV 1 ASSI { 358} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HA )) 4.100 2.100 1.900 peak 358 spectrum 1 weight 0.10000E+01 volume 0.18246E-03 ppm1 6.280 ppm2 3.820 CV 1 ASSI { 359} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 47 and name HB )) 2.700 2.700 3.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.24460E-02 ppm1 6.279 ppm2 2.533 CV 1 ASSI { 360} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 48 and name HB1 )) 2.400 0.700 0.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.50498E-02 ppm1 6.280 ppm2 1.618 CV 1 ASSI { 361} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 47 and name HG2%) 2.600 0.900 0.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 6.278 ppm2 1.155 CV 1 ASSI { 362} (( segid "A " and resid 48 and name HN )) ( segid "A " and resid 45 and name HG2%) 4.500 2.500 1.500 peak 362 spectrum 1 weight 0.10000E+01 volume 0.11638E-03 ppm1 6.267 ppm2 0.646 CV 1 ASSI { 364} (( segid "A " and resid 48 and name HN )) (( segid "A " and resid 49 and name HN )) 2.700 0.900 0.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.23178E-02 ppm1 6.280 ppm2 7.434 CV 1 ASSI { 365} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HA )) 2.700 0.900 0.900 peak 365 spectrum 1 weight 0.10000E+01 volume 0.22882E-02 ppm1 7.425 ppm2 5.018 CV 1 ASSI { 366} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 49 and name HB )) 2.600 0.800 0.800 peak 366 spectrum 1 weight 0.10000E+01 volume 0.32350E-02 ppm1 7.424 ppm2 4.261 CV 1 ASSI { 367} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 50 and name HN )) 2.700 0.900 0.900 peak 367 spectrum 1 weight 0.10000E+01 volume 0.22685E-02 ppm1 7.421 ppm2 8.375 CV 1 ASSI { 368} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 60 and name HB2 )) 2.700 0.900 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.23276E-02 ppm1 7.425 ppm2 3.249 CV 1 ASSI { 369} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HG1 )) 2.400 0.700 0.700 peak 369 spectrum 1 weight 0.10000E+01 volume 0.48033E-02 ppm1 7.425 ppm2 2.275 CV 1 ASSI { 370} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 61 and name HB2 )) 2.600 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 7.424 ppm2 1.962 CV 1 ASSI { 371} (( segid "A " and resid 49 and name HN )) (( segid "A " and resid 48 and name HB1 )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.40339E-02 ppm1 7.421 ppm2 1.593 CV 1 ASSI { 375} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 49 and name HB )) 2.800 1.000 1.000 peak 375 spectrum 1 weight 0.10000E+01 volume 0.17458E-02 ppm1 8.377 ppm2 4.269 CV 1 ASSI { 376} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 50 and name HB2 )) 3.000 1.100 1.100 peak 376 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 8.382 ppm2 2.240 CV 1 ASSI { 377} (( segid "A " and resid 50 and name HN )) (( segid "A " and resid 52 and name HB2 )) 2.700 2.700 3.300 peak 377 spectrum 1 weight 0.10000E+01 volume 0.21699E-02 ppm1 8.377 ppm2 2.013 CV 1 ASSI { 378} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 76 and name HB )) 2.800 1.000 1.000 peak 378 spectrum 1 weight 0.10000E+01 volume 0.19035E-02 ppm1 8.377 ppm2 1.668 CV 1 ASSI { 379} (( segid "A " and resid 77 and name HN )) ( segid "A " and resid 77 and name HD1%) 3.000 1.100 1.100 peak 379 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 8.375 ppm2 0.679 CV 1 ASSI { 380} (( segid "A " and resid 77 and name HN )) (( segid "A " and resid 74 and name HA )) 3.900 1.900 1.900 peak 380 spectrum 1 weight 0.10000E+01 volume 0.24361E-03 ppm1 8.372 ppm2 4.512 CV 1 ASSI { 381} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 100 and name HN )) 3.000 1.100 1.100 peak 381 spectrum 1 weight 0.10000E+01 volume 0.11935E-02 ppm1 9.071 ppm2 7.564 CV 1 ASSI { 382} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 98 and name HN )) 3.100 1.200 1.200 peak 382 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 9.075 ppm2 10.363 CV 1 ASSI { 383} (( segid "A " and resid 57 and name HE1 )) (( segid "A " and resid 57 and name HN )) 3.200 1.300 1.300 peak 383 spectrum 1 weight 0.10000E+01 volume 0.77424E-03 ppm1 10.639 ppm2 7.050 CV 1 ASSI { 384} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.600 1.600 1.600 peak 384 spectrum 1 weight 0.10000E+01 volume 0.43495E-03 ppm1 9.066 ppm2 0.885 CV 1 ASSI { 385} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 98 and name HB% ) 2.800 1.000 1.000 peak 385 spectrum 1 weight 0.10000E+01 volume 0.19233E-02 ppm1 9.071 ppm2 1.400 CV 1 ASSI { 386} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 100 and name HB2 )) 3.400 1.400 1.400 peak 386 spectrum 1 weight 0.10000E+01 volume 0.59178E-03 ppm1 9.067 ppm2 2.536 CV 1 ASSI { 387} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 97 and name HB1 )) 3.600 1.600 1.600 peak 387 spectrum 1 weight 0.10000E+01 volume 0.43002E-03 ppm1 9.065 ppm2 3.658 CV 1 ASSI { 388} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HA )) 2.400 0.700 0.700 peak 388 spectrum 1 weight 0.10000E+01 volume 0.50400E-02 ppm1 9.071 ppm2 3.985 CV 1 ASSI { 389} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HB1 )) 2.600 0.800 0.800 peak 389 spectrum 1 weight 0.10000E+01 volume 0.29589E-02 ppm1 9.070 ppm2 4.146 CV 1 OR { 389} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 99 and name HB2 )) ASSI { 390} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 101 and name HN )) 4.100 2.100 1.900 peak 390 spectrum 1 weight 0.10000E+01 volume 0.20021E-03 ppm1 9.061 ppm2 6.487 CV 1 ASSI { 391} (( segid "A " and resid 51 and name HN )) ( segid "A " and resid 47 and name HG2%) 3.100 1.200 1.200 peak 391 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 9.205 ppm2 1.180 CV 1 ASSI { 392} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 48 and name HB1 )) 2.800 2.800 3.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.20811E-02 ppm1 9.206 ppm2 1.559 CV 1 ASSI { 393} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 50 and name HB2 )) 2.900 1.100 1.100 peak 393 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 9.205 ppm2 2.221 CV 1 ASSI { 394} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB1 )) 2.400 0.700 0.700 peak 394 spectrum 1 weight 0.10000E+01 volume 0.44778E-02 ppm1 9.205 ppm2 3.232 CV 1 ASSI { 395} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HB2 )) 2.600 0.800 0.800 peak 395 spectrum 1 weight 0.10000E+01 volume 0.31167E-02 ppm1 9.204 ppm2 3.709 CV 1 ASSI { 396} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 51 and name HA )) 2.500 0.800 0.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.37085E-02 ppm1 9.205 ppm2 3.887 CV 1 ASSI { 397} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HA )) 4.300 2.300 1.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.13906E-03 ppm1 9.201 ppm2 4.487 CV 1 ASSI { 398} (( segid "A " and resid 51 and name HN )) ( segid "A " and resid 60 and name HE% ) 3.800 1.800 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.28405E-03 ppm1 9.201 ppm2 6.196 CV 1 ASSI { 399} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HN )) 2.600 0.800 0.800 peak 399 spectrum 1 weight 0.10000E+01 volume 0.32646E-02 ppm1 9.206 ppm2 7.073 CV 1 ASSI { 400} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 52 and name HG1 )) 2.900 2.900 3.100 peak 400 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 9.206 ppm2 1.795 CV 1 ASSI { 401} (( segid "A " and resid 51 and name HN )) (( segid "A " and resid 53 and name HN )) 4.600 2.700 1.400 peak 401 spectrum 1 weight 0.10000E+01 volume 0.92906E-04 ppm1 9.203 ppm2 7.863 CV 1 ASSI { 402} (( segid "A " and resid 51 and name HE1 )) (( segid "A " and resid 52 and name HA )) 4.600 2.600 1.400 peak 402 spectrum 1 weight 0.10000E+01 volume 0.97051E-04 ppm1 9.775 ppm2 4.487 CV 1 ASSI { 403} (( segid "A " and resid 51 and name HE1 )) (( segid "A " and resid 52 and name HG1 )) 4.100 2.100 1.900 peak 403 spectrum 1 weight 0.10000E+01 volume 0.19331E-03 ppm1 9.777 ppm2 1.786 CV 1 ASSI { 405} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 56 and name HB% ) 2.600 0.800 0.800 peak 405 spectrum 1 weight 0.10000E+01 volume 0.28997E-02 ppm1 7.853 ppm2 1.627 CV 1 ASSI { 406} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HG1 )) 2.900 2.900 3.100 peak 406 spectrum 1 weight 0.10000E+01 volume 0.15287E-02 ppm1 7.853 ppm2 1.769 CV 1 ASSI { 407} (( segid "A " and resid 53 and name HN )) ( segid "A " and resid 50 and name HD2%) 3.000 1.200 1.200 peak 407 spectrum 1 weight 0.10000E+01 volume 0.11539E-02 ppm1 7.857 ppm2 0.940 CV 1 ASSI { 408} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HD2 )) 3.700 1.700 1.700 peak 408 spectrum 1 weight 0.10000E+01 volume 0.35112E-03 ppm1 8.539 ppm2 7.054 CV 1 ASSI { 409} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HA )) 2.200 0.600 0.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.71506E-02 ppm1 8.542 ppm2 4.121 CV 1 ASSI { 410} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HB1 )) 2.700 0.900 0.900 peak 410 spectrum 1 weight 0.10000E+01 volume 0.21501E-02 ppm1 8.541 ppm2 3.144 CV 1 OR { 410} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 53 and name HB2 )) ASSI { 411} (( segid "A " and resid 54 and name HN )) ( segid "A " and resid 129 and name HD1%) 4.000 2.000 2.000 peak 411 spectrum 1 weight 0.10000E+01 volume 0.21501E-03 ppm1 8.527 ppm2 0.555 CV 1 ASSI { 412} (( segid "A " and resid 54 and name HE21)) (( segid "A " and resid 54 and name HE22)) 1.900 0.400 0.400 peak 412 spectrum 1 weight 0.10000E+01 volume 0.20416E-01 ppm1 6.863 ppm2 6.499 CV 1 ASSI { 414} (( segid "A " and resid 54 and name HE21)) (( segid "A " and resid 53 and name HA )) 3.700 1.700 1.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.33534E-03 ppm1 6.865 ppm2 4.122 CV 1 ASSI { 415} (( segid "A " and resid 54 and name HE21)) (( segid "A " and resid 57 and name HB2 )) 3.300 3.300 2.700 peak 415 spectrum 1 weight 0.10000E+01 volume 0.69928E-03 ppm1 6.865 ppm2 2.884 CV 1 ASSI { 416} (( segid "A " and resid 54 and name HE22)) (( segid "A " and resid 57 and name HB2 )) 2.200 2.200 3.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.70816E-02 ppm1 6.498 ppm2 2.896 CV 1 ASSI { 417} (( segid "A " and resid 54 and name HE22)) (( segid "A " and resid 54 and name HB1 )) 1.900 1.900 4.100 peak 417 spectrum 1 weight 0.10000E+01 volume 0.19924E-01 ppm1 6.495 ppm2 2.333 CV 1 ASSI { 418} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 56 and name HB% ) 2.200 0.600 0.600 peak 418 spectrum 1 weight 0.10000E+01 volume 0.88273E-02 ppm1 7.849 ppm2 1.621 CV 1 ASSI { 419} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 125 and name HE% ) 3.700 3.700 2.300 peak 419 spectrum 1 weight 0.10000E+01 volume 0.36493E-03 ppm1 7.852 ppm2 1.851 CV 1 ASSI { 420} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HB1 )) 3.300 1.400 1.400 peak 420 spectrum 1 weight 0.10000E+01 volume 0.69139E-03 ppm1 7.849 ppm2 3.295 CV 1 ASSI { 421} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HB2 )) 4.400 2.400 1.600 peak 421 spectrum 1 weight 0.10000E+01 volume 0.12131E-03 ppm1 7.853 ppm2 3.736 CV 1 ASSI { 422} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 55 and name HA )) 3.300 1.400 1.400 peak 422 spectrum 1 weight 0.10000E+01 volume 0.67068E-03 ppm1 7.847 ppm2 5.263 CV 1 ASSI { 424} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 129 and name HD1%) 2.700 2.700 3.300 peak 424 spectrum 1 weight 0.10000E+01 volume 0.24756E-02 ppm1 7.851 ppm2 0.602 CV 1 ASSI { 425} (( segid "A " and resid 56 and name HN )) (( segid "A " and resid 54 and name HN )) 4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.21600E-03 ppm1 7.833 ppm2 8.526 CV 1 ASSI { 426} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 125 and name HB2 )) 2.700 2.700 3.300 peak 426 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 7.047 ppm2 2.253 CV 1 ASSI { 427} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 83 and name HE% ) 4.000 2.000 2.000 peak 427 spectrum 1 weight 0.10000E+01 volume 0.23474E-03 ppm1 7.048 ppm2 2.052 CV 1 ASSI { 428} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 125 and name HE% ) 3.300 1.300 1.300 peak 428 spectrum 1 weight 0.10000E+01 volume 0.72591E-03 ppm1 7.045 ppm2 1.799 CV 1 ASSI { 429} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 56 and name HB% ) 2.700 0.900 0.900 peak 429 spectrum 1 weight 0.10000E+01 volume 0.24066E-02 ppm1 7.046 ppm2 1.610 CV 1 ASSI { 430} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 129 and name HG )) 4.200 2.200 1.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17063E-03 ppm1 7.048 ppm2 0.639 CV 1 ASSI { 431} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 55 and name HA )) 3.900 1.900 1.900 peak 431 spectrum 1 weight 0.10000E+01 volume 0.25348E-03 ppm1 7.044 ppm2 5.239 CV 1 ASSI { 432} (( segid "A " and resid 57 and name HN )) ( segid "A " and resid 60 and name HE% ) 3.100 3.100 2.900 peak 432 spectrum 1 weight 0.10000E+01 volume 0.96460E-03 ppm1 7.044 ppm2 6.181 CV 1 ASSI { 433} (( segid "A " and resid 57 and name HN )) (( segid "A " and resid 59 and name HB1 )) 3.000 3.000 3.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.11737E-02 ppm1 7.044 ppm2 2.731 CV 1 ASSI { 434} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HB2 )) 3.200 1.300 1.300 peak 434 spectrum 1 weight 0.10000E+01 volume 0.87188E-03 ppm1 8.145 ppm2 3.693 CV 1 ASSI { 435} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 59 and name HB1 )) 2.900 1.100 1.100 peak 435 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.147 ppm2 2.759 CV 1 ASSI { 436} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 60 and name HB1 )) 3.800 1.800 1.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.29589E-03 ppm1 8.146 ppm2 3.207 CV 1 ASSI { 437} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HG2 )) 3.500 1.600 1.600 peak 437 spectrum 1 weight 0.10000E+01 volume 0.46849E-03 ppm1 8.144 ppm2 1.355 CV 1 OR { 437} (( segid "A " and resid 59 and name HN )) (( segid "A " and resid 58 and name HG1 )) ASSI { 438} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HN )) 2.700 0.900 0.900 peak 438 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 7.197 ppm2 7.435 CV 1 ASSI { 439} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HE22)) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.83539E-03 ppm1 7.196 ppm2 6.821 CV 1 ASSI { 440} (( segid "A " and resid 60 and name HN )) ( segid "A " and resid 60 and name HD% ) 2.600 0.900 0.900 peak 440 spectrum 1 weight 0.10000E+01 volume 0.28405E-02 ppm1 7.194 ppm2 6.247 CV 1 ASSI { 441} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 58 and name HA )) 4.100 2.100 1.900 peak 441 spectrum 1 weight 0.10000E+01 volume 0.20416E-03 ppm1 7.188 ppm2 3.745 CV 1 ASSI { 442} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 61 and name HG1 )) 3.100 1.200 1.200 peak 442 spectrum 1 weight 0.10000E+01 volume 0.10158E-02 ppm1 7.195 ppm2 2.283 CV 1 ASSI { 443} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 59 and name HN )) 2.600 0.900 0.900 peak 443 spectrum 1 weight 0.10000E+01 volume 0.28010E-02 ppm1 7.195 ppm2 8.153 CV 1 ASSI { 445} (( segid "A " and resid 61 and name HN )) (( segid "A " and resid 59 and name HN )) 3.500 1.500 1.500 peak 445 spectrum 1 weight 0.10000E+01 volume 0.53655E-03 ppm1 7.422 ppm2 8.135 CV 1 ASSI { 446} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HA )) 2.800 1.000 1.000 peak 446 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 8.600 ppm2 4.165 CV 1 ASSI { 447} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HD2 )) 3.900 1.900 1.900 peak 447 spectrum 1 weight 0.10000E+01 volume 0.24066E-03 ppm1 8.602 ppm2 3.594 CV 1 ASSI { 448} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HA )) 3.000 1.100 1.100 peak 448 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 8.599 ppm2 3.266 CV 1 ASSI { 449} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 64 and name HB2 )) 4.600 2.700 1.400 peak 449 spectrum 1 weight 0.10000E+01 volume 0.90936E-04 ppm1 8.598 ppm2 2.975 CV 1 ASSI { 450} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB1 )) 3.000 1.100 1.100 peak 450 spectrum 1 weight 0.10000E+01 volume 0.13710E-02 ppm1 8.600 ppm2 2.286 CV 1 ASSI { 451} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 63 and name HB )) 2.700 0.900 0.900 peak 451 spectrum 1 weight 0.10000E+01 volume 0.25447E-02 ppm1 8.598 ppm2 1.289 CV 1 ASSI { 452} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 63 and name HG1%) 2.600 0.800 0.800 peak 452 spectrum 1 weight 0.10000E+01 volume 0.32745E-02 ppm1 8.599 ppm2 0.739 CV 1 ASSI { 454} (( segid "A " and resid 63 and name HN )) ( segid "A " and resid 63 and name HG2%) 2.800 1.000 1.000 peak 454 spectrum 1 weight 0.10000E+01 volume 0.17063E-02 ppm1 8.599 ppm2 -0.333 CV 1 ASSI { 455} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 62 and name HB2 )) 2.600 0.900 0.900 peak 455 spectrum 1 weight 0.10000E+01 volume 0.26827E-02 ppm1 8.600 ppm2 1.558 CV 1 ASSI { 456} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HN )) 3.400 1.400 1.400 peak 456 spectrum 1 weight 0.10000E+01 volume 0.61446E-03 ppm1 8.100 ppm2 8.606 CV 1 ASSI { 457} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HA )) 2.300 0.700 0.700 peak 457 spectrum 1 weight 0.10000E+01 volume 0.59572E-02 ppm1 8.100 ppm2 3.263 CV 1 ASSI { 458} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB2 )) 2.700 0.900 0.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 8.102 ppm2 2.981 CV 1 ASSI { 459} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 67 and name HB2 )) 3.200 3.200 2.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.88766E-03 ppm1 8.101 ppm2 1.750 CV 1 ASSI { 460} (( segid "A " and resid 64 and name HN )) ( segid "A " and resid 63 and name HG2%) 2.500 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.36098E-02 ppm1 8.097 ppm2 -0.341 CV 1 ASSI { 461} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 63 and name HB )) 4.300 2.300 1.700 peak 461 spectrum 1 weight 0.10000E+01 volume 0.13906E-03 ppm1 8.096 ppm2 1.294 CV 1 ASSI { 462} (( segid "A " and resid 64 and name HN )) (( segid "A " and resid 64 and name HB1 )) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 8.101 ppm2 2.438 CV 1 ASSI { 463} (( segid "A " and resid 146 and name HN )) (( segid "A " and resid 145 and name HA )) 1.900 0.500 0.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.17852E-01 ppm1 8.682 ppm2 4.395 CV 1 ASSI { 464} (( segid "A " and resid 146 and name HN )) (( segid "A " and resid 36 and name HA )) 3.400 1.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.55430E-03 ppm1 8.683 ppm2 5.407 CV 1 ASSI { 465} (( segid "A " and resid 146 and name HN )) (( segid "A " and resid 146 and name HB2 )) 2.300 0.700 0.700 peak 465 spectrum 1 weight 0.10000E+01 volume 0.61051E-02 ppm1 8.683 ppm2 1.998 CV 1 ASSI { 466} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HN )) 2.800 2.800 3.200 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20712E-02 ppm1 7.986 ppm2 8.616 CV 1 ASSI { 467} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 64 and name HA )) 3.400 1.400 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.63024E-03 ppm1 7.983 ppm2 4.683 CV 1 ASSI { 468} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HA )) 2.300 0.700 0.700 peak 468 spectrum 1 weight 0.10000E+01 volume 0.58092E-02 ppm1 7.988 ppm2 3.978 CV 1 ASSI { 469} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 65 and name HA )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 7.987 ppm2 3.627 CV 1 ASSI { 470} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HB )) 2.200 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.88470E-02 ppm1 7.989 ppm2 2.102 CV 1 ASSI { 471} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 64 and name HB1 )) 5.100 3.200 0.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.54641E-04 ppm1 7.986 ppm2 2.479 CV 1 ASSI { 472} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HG11)) 2.300 2.300 3.700 peak 472 spectrum 1 weight 0.10000E+01 volume 0.64011E-02 ppm1 7.988 ppm2 1.619 CV 1 ASSI { 473} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 66 and name HG12)) 2.500 0.800 0.800 peak 473 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 7.989 ppm2 1.318 CV 1 ASSI { 474} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 70 and name HD1%) 4.400 2.500 1.600 peak 474 spectrum 1 weight 0.10000E+01 volume 0.11836E-03 ppm1 7.981 ppm2 0.514 CV 1 ASSI { 475} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 63 and name HG2%) 4.300 2.300 1.700 peak 475 spectrum 1 weight 0.10000E+01 volume 0.13808E-03 ppm1 7.980 ppm2 -0.356 CV 1 ASSI { 476} (( segid "A " and resid 66 and name HN )) (( segid "A " and resid 67 and name HB2 )) 2.900 2.900 3.100 peak 476 spectrum 1 weight 0.10000E+01 volume 0.16273E-02 ppm1 7.990 ppm2 1.728 CV 1 ASSI { 477} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HB2 )) 2.100 0.500 0.500 peak 477 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 7.921 ppm2 1.707 CV 1 ASSI { 478} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HD2 )) 3.300 1.400 1.400 peak 478 spectrum 1 weight 0.10000E+01 volume 0.67167E-03 ppm1 7.921 ppm2 1.411 CV 1 OR { 478} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 67 and name HD1 )) ASSI { 479} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 68 and name HB1 )) 2.400 2.400 3.600 peak 479 spectrum 1 weight 0.10000E+01 volume 0.48131E-02 ppm1 7.922 ppm2 1.535 CV 1 OR { 479} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 68 and name HB2 )) ASSI { 480} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 66 and name HB )) 2.300 0.600 0.600 peak 480 spectrum 1 weight 0.10000E+01 volume 0.68448E-02 ppm1 7.921 ppm2 2.105 CV 1 ASSI { 481} (( segid "A " and resid 67 and name HN )) (( segid "A " and resid 64 and name HB1 )) 3.500 1.600 1.600 peak 481 spectrum 1 weight 0.10000E+01 volume 0.46159E-03 ppm1 7.919 ppm2 2.438 CV 1 ASSI { 482} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 66 and name HB )) 4.200 2.200 1.800 peak 482 spectrum 1 weight 0.10000E+01 volume 0.16273E-03 ppm1 7.834 ppm2 2.094 CV 1 ASSI { 483} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 70 and name HD1%) 3.200 3.200 2.800 peak 483 spectrum 1 weight 0.10000E+01 volume 0.81863E-03 ppm1 7.834 ppm2 0.494 CV 1 ASSI { 484} (( segid "A " and resid 68 and name HN )) ( segid "A " and resid 63 and name HG2%) 3.700 1.700 1.700 peak 484 spectrum 1 weight 0.10000E+01 volume 0.38071E-03 ppm1 7.839 ppm2 -0.328 CV 1 ASSI { 485} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 69 and name HB2 )) 3.900 1.900 1.900 peak 485 spectrum 1 weight 0.10000E+01 volume 0.25545E-03 ppm1 7.834 ppm2 3.288 CV 1 ASSI { 486} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 65 and name HA )) 3.600 1.600 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.41720E-03 ppm1 7.834 ppm2 3.612 CV 1 ASSI { 487} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 68 and name HA )) 2.400 0.700 0.700 peak 487 spectrum 1 weight 0.10000E+01 volume 0.49610E-02 ppm1 7.837 ppm2 4.262 CV 1 ASSI { 489} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 70 and name HN )) 4.300 2.300 1.700 peak 489 spectrum 1 weight 0.10000E+01 volume 0.14203E-03 ppm1 7.837 ppm2 8.444 CV 1 ASSI { 490} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 64 and name HB1 )) 3.700 1.700 1.700 peak 490 spectrum 1 weight 0.10000E+01 volume 0.38170E-03 ppm1 7.827 ppm2 2.411 CV 1 ASSI { 491} (( segid "A " and resid 68 and name HN )) (( segid "A " and resid 64 and name HA )) 3.100 3.100 2.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 7.839 ppm2 4.674 CV 1 ASSI { 492} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 65 and name HA )) 3.700 1.700 1.700 peak 492 spectrum 1 weight 0.10000E+01 volume 0.36098E-03 ppm1 7.461 ppm2 3.625 CV 1 ASSI { 493} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 69 and name HB2 )) 2.600 0.900 0.900 peak 493 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 7.465 ppm2 3.284 CV 1 ASSI { 494} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 69 and name HB1 )) 2.600 2.600 3.400 peak 494 spectrum 1 weight 0.10000E+01 volume 0.29096E-02 ppm1 7.464 ppm2 2.638 CV 1 ASSI { 495} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HB2 )) 2.600 0.800 0.800 peak 495 spectrum 1 weight 0.10000E+01 volume 0.29786E-02 ppm1 7.465 ppm2 1.517 CV 1 OR { 495} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 68 and name HB1 )) ASSI { 496} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 70 and name HA )) 5.300 3.600 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.38761E-04 ppm1 7.470 ppm2 5.136 CV 1 ASSI { 497} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 71 and name HA )) 3.500 1.500 1.500 peak 497 spectrum 1 weight 0.10000E+01 volume 0.50794E-03 ppm1 8.694 ppm2 4.491 CV 1 ASSI { 498} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 71 and name HD1 )) 3.500 1.500 1.500 peak 498 spectrum 1 weight 0.10000E+01 volume 0.50004E-03 ppm1 8.685 ppm2 3.911 CV 1 ASSI { 499} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 73 and name HA )) 3.200 3.200 2.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.78115E-03 ppm1 8.688 ppm2 3.594 CV 1 ASSI { 500} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HB1 )) 3.700 1.700 1.700 peak 500 spectrum 1 weight 0.10000E+01 volume 0.33632E-03 ppm1 8.686 ppm2 3.051 CV 1 ASSI { 501} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HB2 )) 4.000 2.000 2.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21402E-03 ppm1 8.691 ppm2 2.795 CV 1 ASSI { 502} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 70 and name HA )) 4.200 2.200 1.800 peak 502 spectrum 1 weight 0.10000E+01 volume 0.17161E-03 ppm1 8.697 ppm2 5.140 CV 1 ASSI { 504} (( segid "A " and resid 72 and name HN )) ( segid "A " and resid 65 and name HB% ) 3.000 3.000 3.000 peak 504 spectrum 1 weight 0.10000E+01 volume 0.12131E-02 ppm1 8.696 ppm2 1.540 CV 1 ASSI { 505} (( segid "A " and resid 72 and name HN )) (( segid "A " and resid 72 and name HA )) 2.900 1.000 1.000 peak 505 spectrum 1 weight 0.10000E+01 volume 0.15386E-02 ppm1 8.691 ppm2 4.638 CV 1 ASSI { 506} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 70 and name HA )) 3.200 1.300 1.300 peak 506 spectrum 1 weight 0.10000E+01 volume 0.80876E-03 ppm1 7.755 ppm2 5.154 CV 1 ASSI { 507} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 74 and name HA )) 3.200 3.200 2.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.84328E-03 ppm1 7.760 ppm2 4.541 CV 1 ASSI { 508} (( segid "A " and resid 73 and name HN )) (( segid "A " and resid 72 and name HA )) 3.200 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.90147E-03 ppm1 7.762 ppm2 4.668 CV 1 ASSI { 509} (( segid "A " and resid 53 and name HN )) (( segid "A " and resid 52 and name HA )) 3.200 1.200 1.200 peak 509 spectrum 1 weight 0.10000E+01 volume 0.91133E-03 ppm1 7.851 ppm2 4.488 CV 1 ASSI { 510} (( segid "A " and resid 69 and name HN )) (( segid "A " and resid 66 and name HB )) 3.700 1.700 1.700 peak 510 spectrum 1 weight 0.10000E+01 volume 0.37775E-03 ppm1 7.471 ppm2 2.115 CV 1 ASSI { 511} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 75 and name HE2 )) 2.800 2.800 3.200 peak 511 spectrum 1 weight 0.10000E+01 volume 0.19528E-02 ppm1 8.507 ppm2 3.011 CV 1 OR { 511} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 75 and name HE1 )) ASSI { 512} (( segid "A " and resid 74 and name HN )) ( segid "A " and resid 65 and name HB% ) 3.400 3.400 2.600 peak 512 spectrum 1 weight 0.10000E+01 volume 0.57896E-03 ppm1 8.513 ppm2 1.576 CV 1 ASSI { 513} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HB1 )) 3.700 3.700 2.300 peak 513 spectrum 1 weight 0.10000E+01 volume 0.34619E-03 ppm1 8.505 ppm2 2.374 CV 1 ASSI { 514} (( segid "A " and resid 74 and name HN )) (( segid "A " and resid 73 and name HN )) 3.600 3.600 2.400 peak 514 spectrum 1 weight 0.10000E+01 volume 0.41621E-03 ppm1 8.508 ppm2 7.766 CV 1 ASSI { 515} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HA )) 3.100 1.200 1.200 peak 515 spectrum 1 weight 0.10000E+01 volume 0.10553E-02 ppm1 7.241 ppm2 4.528 CV 1 ASSI { 516} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 76 and name HA )) 3.400 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.62728E-03 ppm1 7.248 ppm2 3.859 CV 1 ASSI { 517} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HB2 )) 3.400 1.400 1.400 peak 517 spectrum 1 weight 0.10000E+01 volume 0.63419E-03 ppm1 7.242 ppm2 3.368 CV 1 ASSI { 518} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HB2 )) 2.100 0.600 0.600 peak 518 spectrum 1 weight 0.10000E+01 volume 0.92315E-02 ppm1 7.242 ppm2 1.907 CV 1 ASSI { 519} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HG2 )) 2.300 0.700 0.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.62038E-02 ppm1 7.244 ppm2 1.446 CV 1 ASSI { 520} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 75 and name HG1 )) 3.200 1.300 1.300 peak 520 spectrum 1 weight 0.10000E+01 volume 0.77226E-03 ppm1 7.244 ppm2 1.376 CV 1 ASSI { 521} (( segid "A " and resid 75 and name HN )) ( segid "A " and resid 76 and name HD1%) 3.300 1.400 1.400 peak 521 spectrum 1 weight 0.10000E+01 volume 0.69534E-03 ppm1 7.239 ppm2 0.939 CV 1 ASSI { 523} (( segid "A " and resid 75 and name HN )) (( segid "A " and resid 74 and name HN )) 2.400 0.700 0.700 peak 523 spectrum 1 weight 0.10000E+01 volume 0.43298E-02 ppm1 7.244 ppm2 8.480 CV 1 ASSI { 524} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HA )) 2.300 0.700 0.700 peak 524 spectrum 1 weight 0.10000E+01 volume 0.58882E-02 ppm1 7.048 ppm2 3.831 CV 1 ASSI { 525} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HG12)) 2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.57008E-02 ppm1 7.047 ppm2 1.682 CV 1 ASSI { 526} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 132 and name HG11)) 2.500 0.800 0.800 peak 526 spectrum 1 weight 0.10000E+01 volume 0.37085E-02 ppm1 7.048 ppm2 1.291 CV 1 ASSI { 527} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 77 and name HG12)) 3.400 1.500 1.500 peak 527 spectrum 1 weight 0.10000E+01 volume 0.53950E-03 ppm1 7.169 ppm2 0.496 CV 1 ASSI { 528} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HB )) 2.300 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.60459E-02 ppm1 7.169 ppm2 1.674 CV 1 ASSI { 529} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HB2 )) 2.600 0.800 0.800 peak 529 spectrum 1 weight 0.10000E+01 volume 0.32646E-02 ppm1 7.169 ppm2 1.908 CV 1 ASSI { 530} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 76 and name HA )) 2.900 1.100 1.100 peak 530 spectrum 1 weight 0.10000E+01 volume 0.14893E-02 ppm1 7.169 ppm2 3.857 CV 1 ASSI { 531} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 73 and name HA )) 3.700 1.700 1.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.35506E-03 ppm1 7.174 ppm2 3.522 CV 1 ASSI { 532} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 75 and name HA )) 3.000 1.100 1.100 peak 532 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 7.175 ppm2 4.181 CV 1 ASSI { 533} (( segid "A " and resid 76 and name HN )) (( segid "A " and resid 72 and name HA )) 4.700 2.800 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.85018E-04 ppm1 7.153 ppm2 4.624 CV 1 ASSI { 534} (( segid "A " and resid 76 and name HN )) ( segid "A " and resid 115 and name HD% ) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.19331E-03 ppm1 7.164 ppm2 6.917 CV 1 ASSI { 535} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 79 and name HA )) 5.100 5.100 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.51090E-04 ppm1 7.843 ppm2 5.284 CV 1 ASSI { 536} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HA )) 3.600 1.600 1.600 peak 536 spectrum 1 weight 0.10000E+01 volume 0.43792E-03 ppm1 7.843 ppm2 4.198 CV 1 ASSI { 537} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 77 and name HA )) 2.500 0.800 0.800 peak 537 spectrum 1 weight 0.10000E+01 volume 0.40635E-02 ppm1 7.843 ppm2 3.923 CV 1 ASSI { 538} (( segid "A " and resid 78 and name HN )) (( segid "A " and resid 78 and name HB2 )) 2.800 1.000 1.000 peak 538 spectrum 1 weight 0.10000E+01 volume 0.17556E-02 ppm1 7.849 ppm2 1.857 CV 1 ASSI { 539} (( segid "A " and resid 78 and name HN )) ( segid "A " and resid 77 and name HD1%) 3.400 1.500 1.500 peak 539 spectrum 1 weight 0.10000E+01 volume 0.55626E-03 ppm1 7.855 ppm2 0.693 CV 1 ASSI { 540} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HA )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.22685E-02 ppm1 8.399 ppm2 5.237 CV 1 ASSI { 541} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HB2 )) 2.600 0.800 0.800 peak 541 spectrum 1 weight 0.10000E+01 volume 0.29983E-02 ppm1 8.399 ppm2 1.857 CV 1 ASSI { 542} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 78 and name HB1 )) 2.500 2.500 3.500 peak 542 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 8.401 ppm2 1.689 CV 1 ASSI { 543} (( segid "A " and resid 34 and name HN )) ( segid "A " and resid 36 and name HG2%) 4.900 4.900 1.100 peak 543 spectrum 1 weight 0.10000E+01 volume 0.66673E-04 ppm1 8.401 ppm2 0.836 CV 1 ASSI { 544} (( segid "A " and resid 79 and name HN )) ( segid "A " and resid 77 and name HG2%) 2.600 0.800 0.800 peak 544 spectrum 1 weight 0.10000E+01 volume 0.30377E-02 ppm1 8.400 ppm2 0.452 CV 1 ASSI { 545} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HD2 )) 3.500 1.500 1.500 peak 545 spectrum 1 weight 0.10000E+01 volume 0.52668E-03 ppm1 8.392 ppm2 3.616 CV 1 OR { 545} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 80 and name HD1 )) ASSI { 546} (( segid "A " and resid 79 and name HN )) (( segid "A " and resid 79 and name HD21)) 3.500 1.500 1.500 peak 546 spectrum 1 weight 0.10000E+01 volume 0.49315E-03 ppm1 8.397 ppm2 7.590 CV 1 ASSI { 547} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 111 and name HD21)) 3.300 1.400 1.400 peak 547 spectrum 1 weight 0.10000E+01 volume 0.69139E-03 ppm1 8.125 ppm2 6.705 CV 1 ASSI { 548} (( segid "A " and resid 81 and name HN )) (( segid "A " and resid 79 and name HN )) 3.900 1.900 1.900 peak 548 spectrum 1 weight 0.10000E+01 volume 0.26433E-03 ppm1 8.116 ppm2 8.378 CV 1 ASSI { 549} (( segid "A " and resid 79 and name HD21)) (( segid "A " and resid 79 and name HD22)) 1.800 0.400 0.400 peak 549 spectrum 1 weight 0.10000E+01 volume 0.30279E-01 ppm1 7.610 ppm2 6.872 CV 1 ASSI { 551} (( segid "A " and resid 79 and name HD21)) (( segid "A " and resid 78 and name HB1 )) 3.500 1.500 1.500 peak 551 spectrum 1 weight 0.10000E+01 volume 0.53260E-03 ppm1 7.612 ppm2 1.687 CV 1 ASSI { 552} (( segid "A " and resid 79 and name HD21)) ( segid "A " and resid 107 and name HG2%) 3.300 1.400 1.400 peak 552 spectrum 1 weight 0.10000E+01 volume 0.69435E-03 ppm1 7.610 ppm2 1.317 CV 1 ASSI { 553} (( segid "A " and resid 79 and name HD21)) (( segid "A " and resid 78 and name HB2 )) 3.700 1.700 1.700 peak 553 spectrum 1 weight 0.10000E+01 volume 0.37380E-03 ppm1 7.614 ppm2 1.878 CV 1 ASSI { 554} (( segid "A " and resid 79 and name HD22)) ( segid "A " and resid 107 and name HG2%) 3.100 1.200 1.200 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 6.868 ppm2 1.327 CV 1 ASSI { 555} (( segid "A " and resid 79 and name HD22)) (( segid "A " and resid 78 and name HB1 )) 3.500 1.500 1.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.50893E-03 ppm1 6.874 ppm2 1.676 CV 1 ASSI { 557} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HA )) 2.400 0.700 0.700 peak 557 spectrum 1 weight 0.10000E+01 volume 0.50991E-02 ppm1 7.434 ppm2 5.002 CV 1 ASSI { 558} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 82 and name HA )) 2.300 0.700 0.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.55626E-02 ppm1 7.431 ppm2 4.764 CV 1 ASSI { 559} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 85 and name HB )) 2.800 2.800 3.200 peak 559 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 7.431 ppm2 4.124 CV 1 ASSI { 560} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 83 and name HG1 )) 4.000 2.000 2.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.23474E-03 ppm1 7.424 ppm2 2.857 CV 1 OR { 560} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 83 and name HG2 )) ASSI { 561} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HG2 )) 2.600 2.600 3.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.32843E-02 ppm1 7.435 ppm2 1.934 CV 1 ASSI { 562} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HB1 )) 2.700 0.900 0.900 peak 562 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 7.435 ppm2 2.080 CV 1 ASSI { 563} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 81 and name HN )) 3.700 1.700 1.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.36098E-03 ppm1 7.433 ppm2 8.141 CV 1 ASSI { 564} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 85 and name HN )) 3.100 1.200 1.200 peak 564 spectrum 1 weight 0.10000E+01 volume 0.94882E-03 ppm1 7.439 ppm2 8.606 CV 1 ASSI { 565} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 107 and name HG2%) 3.400 3.400 2.600 peak 565 spectrum 1 weight 0.10000E+01 volume 0.55232E-03 ppm1 7.435 ppm2 1.268 CV 1 ASSI { 566} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 85 and name HG2%) 2.800 1.000 1.000 peak 566 spectrum 1 weight 0.10000E+01 volume 0.19233E-02 ppm1 7.433 ppm2 0.897 CV 1 ASSI { 567} (( segid "A " and resid 82 and name HN )) ( segid "A " and resid 86 and name HD1%) 3.800 1.800 1.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.30476E-03 ppm1 7.432 ppm2 -0.485 CV 1 ASSI { 568} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 86 and name HN )) 3.300 1.400 1.400 peak 568 spectrum 1 weight 0.10000E+01 volume 0.67660E-03 ppm1 7.437 ppm2 7.202 CV 1 ASSI { 569} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 82 and name HB2 )) 4.400 2.400 1.600 peak 569 spectrum 1 weight 0.10000E+01 volume 0.12427E-03 ppm1 8.696 ppm2 2.510 CV 1 ASSI { 570} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 62 and name HB1 )) 3.700 1.800 1.800 peak 570 spectrum 1 weight 0.10000E+01 volume 0.32942E-03 ppm1 8.696 ppm2 2.262 CV 1 ASSI { 571} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 84 and name HA2 )) 2.500 0.800 0.800 peak 571 spectrum 1 weight 0.10000E+01 volume 0.34422E-02 ppm1 8.692 ppm2 4.410 CV 1 ASSI { 572} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 82 and name HA )) 1.400 1.400 4.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.12624E+00 ppm1 8.691 ppm2 4.762 CV 1 ASSI { 573} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 82 and name HA )) 2.500 2.500 3.500 peak 573 spectrum 1 weight 0.10000E+01 volume 0.38071E-02 ppm1 8.564 ppm2 4.772 CV 1 ASSI { 574} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 88 and name HN )) 6.000 5.400 0.000 peak 574 spectrum 1 weight 0.10000E+01 volume 0.11539E-04 ppm1 8.566 ppm2 8.096 CV 1 ASSI { 575} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 83 and name HB2 )) 4.700 2.800 1.300 peak 575 spectrum 1 weight 0.10000E+01 volume 0.81467E-04 ppm1 8.575 ppm2 2.303 CV 1 ASSI { 576} (( segid "A " and resid 85 and name HN )) ( segid "A " and resid 86 and name HD1%) 3.600 1.600 1.600 peak 576 spectrum 1 weight 0.10000E+01 volume 0.40832E-03 ppm1 8.566 ppm2 -0.459 CV 1 ASSI { 577} (( segid "A " and resid 85 and name HN )) (( segid "A " and resid 83 and name HN )) 4.800 2.800 1.200 peak 577 spectrum 1 weight 0.10000E+01 volume 0.78903E-04 ppm1 8.565 ppm2 8.951 CV 1 ASSI { 578} (( segid "A " and resid 86 and name HN )) ( segid "A " and resid 85 and name HG2%) 3.000 1.100 1.100 peak 578 spectrum 1 weight 0.10000E+01 volume 0.13019E-02 ppm1 7.206 ppm2 0.889 CV 1 ASSI { 579} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 83 and name HA )) 2.900 1.000 1.000 peak 579 spectrum 1 weight 0.10000E+01 volume 0.15485E-02 ppm1 7.211 ppm2 3.934 CV 1 ASSI { 580} (( segid "A " and resid 86 and name HN )) (( segid "A " and resid 88 and name HN )) 3.600 1.600 1.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.41523E-03 ppm1 7.208 ppm2 8.065 CV 1 ASSI { 581} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 88 and name HN )) 2.900 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.16471E-02 ppm1 8.574 ppm2 8.053 CV 1 ASSI { 582} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 86 and name HN )) 2.900 1.100 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.573 ppm2 7.200 CV 1 ASSI { 583} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 51 and name HZ3 )) 4.400 2.400 1.600 peak 583 spectrum 1 weight 0.10000E+01 volume 0.12329E-03 ppm1 8.579 ppm2 6.780 CV 1 ASSI { 584} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 84 and name HA2 )) 3.500 1.500 1.500 peak 584 spectrum 1 weight 0.10000E+01 volume 0.50103E-03 ppm1 8.572 ppm2 4.427 CV 1 ASSI { 585} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 47 and name HB )) 3.600 3.600 2.400 peak 585 spectrum 1 weight 0.10000E+01 volume 0.43397E-03 ppm1 8.572 ppm2 2.523 CV 1 ASSI { 586} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 87 and name HB2 )) 2.600 2.600 3.400 peak 586 spectrum 1 weight 0.10000E+01 volume 0.32153E-02 ppm1 8.575 ppm2 2.052 CV 1 ASSI { 587} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 87 and name HB1 )) 2.500 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 8.577 ppm2 1.786 CV 1 ASSI { 588} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 86 and name HB )) 2.600 0.900 0.900 peak 588 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 8.573 ppm2 1.421 CV 1 ASSI { 589} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 87 and name HG1 )) 2.500 0.800 0.800 peak 589 spectrum 1 weight 0.10000E+01 volume 0.35901E-02 ppm1 8.576 ppm2 1.195 CV 1 OR { 589} (( segid "A " and resid 87 and name HN )) (( segid "A " and resid 87 and name HG2 )) ASSI { 590} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 86 and name HG2%) 2.400 0.700 0.700 peak 590 spectrum 1 weight 0.10000E+01 volume 0.46849E-02 ppm1 8.576 ppm2 0.795 CV 1 ASSI { 591} (( segid "A " and resid 87 and name HN )) ( segid "A " and resid 86 and name HD1%) 3.400 1.400 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.59966E-03 ppm1 8.569 ppm2 -0.481 CV 1 ASSI { 592} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 87 and name HG2 )) 2.700 0.900 0.900 peak 592 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 8.061 ppm2 1.188 CV 1 ASSI { 593} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HG1 )) 2.300 2.300 3.700 peak 593 spectrum 1 weight 0.10000E+01 volume 0.67561E-02 ppm1 8.061 ppm2 1.513 CV 1 ASSI { 594} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 87 and name HB2 )) 2.200 2.200 3.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.77128E-02 ppm1 8.060 ppm2 2.091 CV 1 ASSI { 595} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 85 and name HA )) 2.400 0.700 0.700 peak 595 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 8.060 ppm2 3.759 CV 1 ASSI { 596} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 88 and name HA )) 2.300 0.700 0.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.58092E-02 ppm1 8.062 ppm2 4.041 CV 1 ASSI { 597} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 84 and name HA2 )) 4.800 4.800 1.200 peak 597 spectrum 1 weight 0.10000E+01 volume 0.72493E-04 ppm1 8.066 ppm2 4.466 CV 1 ASSI { 598} (( segid "A " and resid 88 and name HN )) (( segid "A " and resid 89 and name HN )) 2.400 0.700 0.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.42608E-02 ppm1 8.059 ppm2 8.447 CV 1 ASSI { 599} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HA )) 2.600 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.29884E-02 ppm1 8.445 ppm2 3.770 CV 1 ASSI { 600} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 94 and name HB2 )) 3.900 1.900 1.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.27222E-03 ppm1 8.445 ppm2 2.949 CV 1 ASSI { 601} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 91 and name HG2 )) 3.600 1.600 1.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.41128E-03 ppm1 8.445 ppm2 2.534 CV 1 OR { 601} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 91 and name HG1 )) ASSI { 602} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HB2 )) 2.500 0.800 0.800 peak 602 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 8.444 ppm2 2.157 CV 1 ASSI { 603} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 88 and name HG1 )) 3.100 1.200 1.200 peak 603 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 8.443 ppm2 1.432 CV 1 ASSI { 605} (( segid "A " and resid 89 and name HN )) (( segid "A " and resid 89 and name HE )) 4.800 2.800 1.200 peak 605 spectrum 1 weight 0.10000E+01 volume 0.77818E-04 ppm1 8.444 ppm2 6.117 CV 1 ASSI { 607} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HA )) 2.800 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.20909E-02 ppm1 8.519 ppm2 4.421 CV 1 ASSI { 608} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 88 and name HA )) 3.000 3.000 3.000 peak 608 spectrum 1 weight 0.10000E+01 volume 0.13315E-02 ppm1 8.526 ppm2 3.995 CV 1 ASSI { 609} (( segid "A " and resid 142 and name HN )) (( segid "A " and resid 142 and name HA )) 2.300 0.700 0.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.57698E-02 ppm1 8.517 ppm2 3.841 CV 1 ASSI { 610} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 91 and name HG2 )) 3.100 1.200 1.200 peak 610 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 8.522 ppm2 2.521 CV 1 OR { 610} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 91 and name HG1 )) ASSI { 611} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HB2 )) 2.700 0.900 0.900 peak 611 spectrum 1 weight 0.10000E+01 volume 0.23474E-02 ppm1 8.520 ppm2 2.292 CV 1 ASSI { 612} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HB1 )) 3.000 1.100 1.100 peak 612 spectrum 1 weight 0.10000E+01 volume 0.12329E-02 ppm1 8.520 ppm2 1.408 CV 1 ASSI { 613} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 90 and name HG )) 2.500 0.800 0.800 peak 613 spectrum 1 weight 0.10000E+01 volume 0.39649E-02 ppm1 8.521 ppm2 0.957 CV 1 ASSI { 614} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 89 and name HA )) 2.800 1.000 1.000 peak 614 spectrum 1 weight 0.10000E+01 volume 0.19726E-02 ppm1 8.525 ppm2 3.776 CV 1 ASSI { 615} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 91 and name HN )) 2.600 0.900 0.900 peak 615 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 8.519 ppm2 8.359 CV 1 ASSI { 616} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 90 and name HA )) 3.400 1.400 1.400 peak 616 spectrum 1 weight 0.10000E+01 volume 0.61840E-03 ppm1 8.347 ppm2 4.424 CV 1 ASSI { 617} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HA )) 2.400 0.700 0.700 peak 617 spectrum 1 weight 0.10000E+01 volume 0.48920E-02 ppm1 8.347 ppm2 3.988 CV 1 ASSI { 618} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 92 and name HB2 )) 4.200 2.200 1.800 peak 618 spectrum 1 weight 0.10000E+01 volume 0.17161E-03 ppm1 8.347 ppm2 2.978 CV 1 ASSI { 619} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HG2 )) 2.800 0.900 0.900 peak 619 spectrum 1 weight 0.10000E+01 volume 0.20811E-02 ppm1 8.347 ppm2 2.506 CV 1 ASSI { 620} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 92 and name HB1 )) 4.500 2.500 1.500 peak 620 spectrum 1 weight 0.10000E+01 volume 0.11638E-03 ppm1 8.351 ppm2 2.752 CV 1 ASSI { 621} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 43 and name HE22)) 4.300 2.300 1.700 peak 621 spectrum 1 weight 0.10000E+01 volume 0.14696E-03 ppm1 8.343 ppm2 6.811 CV 1 ASSI { 623} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 43 and name HE21)) 3.700 3.700 2.300 peak 623 spectrum 1 weight 0.10000E+01 volume 0.35013E-03 ppm1 8.349 ppm2 7.631 CV 1 ASSI { 625} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 91 and name HB2 )) 2.700 0.900 0.900 peak 625 spectrum 1 weight 0.10000E+01 volume 0.23671E-02 ppm1 8.348 ppm2 1.946 CV 1 ASSI { 626} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 89 and name HB2 )) 2.000 2.000 4.000 peak 626 spectrum 1 weight 0.10000E+01 volume 0.15978E-01 ppm1 8.347 ppm2 2.194 CV 1 OR { 626} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 89 and name HB1 )) ASSI { 627} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 90 and name HB1 )) 4.300 2.300 1.700 peak 627 spectrum 1 weight 0.10000E+01 volume 0.13710E-03 ppm1 8.346 ppm2 1.446 CV 1 ASSI { 628} (( segid "A " and resid 91 and name HN )) (( segid "A " and resid 90 and name HG )) 3.300 1.400 1.400 peak 628 spectrum 1 weight 0.10000E+01 volume 0.71408E-03 ppm1 8.342 ppm2 0.954 CV 1 ASSI { 629} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 96 and name HN )) 4.900 2.900 1.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.69534E-04 ppm1 8.006 ppm2 9.797 CV 1 ASSI { 630} (( segid "A " and resid 95 and name HN )) ( segid "A " and resid 95 and name HE% ) 3.200 1.300 1.300 peak 630 spectrum 1 weight 0.10000E+01 volume 0.87780E-03 ppm1 8.004 ppm2 7.193 CV 1 ASSI { 632} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 92 and name HD22)) 3.300 3.300 2.700 peak 632 spectrum 1 weight 0.10000E+01 volume 0.71506E-03 ppm1 7.987 ppm2 7.072 CV 1 ASSI { 633} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HA )) 2.700 2.700 3.300 peak 633 spectrum 1 weight 0.10000E+01 volume 0.24953E-02 ppm1 7.992 ppm2 4.018 CV 1 ASSI { 634} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 95 and name HB1 )) 2.600 0.900 0.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.28701E-02 ppm1 8.010 ppm2 3.203 CV 1 OR { 634} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 95 and name HB2 )) ASSI { 635} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 92 and name HB1 )) 2.500 0.800 0.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.33534E-02 ppm1 7.991 ppm2 2.768 CV 1 ASSI { 636} (( segid "A " and resid 95 and name HN )) (( segid "A " and resid 94 and name HB1 )) 2.500 0.800 0.800 peak 636 spectrum 1 weight 0.10000E+01 volume 0.37972E-02 ppm1 7.993 ppm2 2.174 CV 1 ASSI { 637} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HB1 )) 3.100 1.200 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.95371E-03 ppm1 7.995 ppm2 1.937 CV 1 OR { 637} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 91 and name HB2 )) ASSI { 638} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 90 and name HB1 )) 3.600 1.600 1.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.41128E-03 ppm1 7.998 ppm2 1.402 CV 1 ASSI { 639} (( segid "A " and resid 92 and name HN )) (( segid "A " and resid 89 and name HA )) 2.900 1.000 1.000 peak 639 spectrum 1 weight 0.10000E+01 volume 0.16077E-02 ppm1 7.988 ppm2 3.811 CV 1 ASSI { 640} (( segid "A " and resid 95 and name HN )) ( segid "A " and resid 39 and name HD2%) 2.600 2.600 3.400 peak 640 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 8.014 ppm2 0.913 CV 1 ASSI { 641} (( segid "A " and resid 95 and name HN )) ( segid "A " and resid 94 and name HD% ) 3.200 1.300 1.300 peak 641 spectrum 1 weight 0.10000E+01 volume 0.77818E-03 ppm1 8.014 ppm2 6.369 CV 1 ASSI { 642} (( segid "A " and resid 95 and name HN )) ( segid "A " and resid 94 and name HE% ) 4.500 2.500 1.500 peak 642 spectrum 1 weight 0.10000E+01 volume 0.11046E-03 ppm1 8.019 ppm2 6.651 CV 1 ASSI { 643} (( segid "A " and resid 93 and name HD21)) (( segid "A " and resid 93 and name HD22)) 1.900 0.500 0.500 peak 643 spectrum 1 weight 0.10000E+01 volume 0.19331E-01 ppm1 7.522 ppm2 6.659 CV 1 ASSI { 644} (( segid "A " and resid 92 and name HD21)) (( segid "A " and resid 92 and name HA )) 3.100 1.200 1.200 peak 644 spectrum 1 weight 0.10000E+01 volume 0.10356E-02 ppm1 7.545 ppm2 4.779 CV 1 ASSI { 645} (( segid "A " and resid 92 and name HD22)) (( segid "A " and resid 92 and name HA )) 4.900 3.000 1.100 peak 645 spectrum 1 weight 0.10000E+01 volume 0.68448E-04 ppm1 7.064 ppm2 4.815 CV 1 ASSI { 646} (( segid "A " and resid 92 and name HD21)) (( segid "A " and resid 26 and name HB )) 3.400 1.400 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.61741E-03 ppm1 7.550 ppm2 2.104 CV 1 ASSI { 647} (( segid "A " and resid 92 and name HD21)) ( segid "A " and resid 26 and name HG2%) 3.300 1.300 1.300 peak 647 spectrum 1 weight 0.10000E+01 volume 0.74169E-03 ppm1 7.547 ppm2 0.880 CV 1 ASSI { 648} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HD22)) 3.200 3.200 2.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.81566E-03 ppm1 7.885 ppm2 6.671 CV 1 ASSI { 649} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 91 and name HA )) 3.100 1.200 1.200 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 7.900 ppm2 3.973 CV 1 ASSI { 650} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HB2 )) 2.600 0.800 0.800 peak 650 spectrum 1 weight 0.10000E+01 volume 0.32548E-02 ppm1 7.897 ppm2 2.946 CV 1 ASSI { 651} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 93 and name HB1 )) 2.400 2.400 3.600 peak 651 spectrum 1 weight 0.10000E+01 volume 0.45666E-02 ppm1 7.896 ppm2 2.710 CV 1 ASSI { 652} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 94 and name HB1 )) 2.800 2.800 3.200 peak 652 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 7.897 ppm2 2.183 CV 1 ASSI { 653} (( segid "A " and resid 93 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.900 1.900 1.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.24164E-03 ppm1 7.897 ppm2 0.916 CV 1 ASSI { 654} (( segid "A " and resid 93 and name HN )) (( segid "A " and resid 94 and name HN )) 2.700 0.900 0.900 peak 654 spectrum 1 weight 0.10000E+01 volume 0.23276E-02 ppm1 7.895 ppm2 8.529 CV 1 ASSI { 656} (( segid "A " and resid 93 and name HD22)) (( segid "A " and resid 93 and name HB2 )) 2.700 0.900 0.900 peak 656 spectrum 1 weight 0.10000E+01 volume 0.23079E-02 ppm1 6.662 ppm2 2.935 CV 1 ASSI { 657} (( segid "A " and resid 93 and name HD22)) (( segid "A " and resid 93 and name HB1 )) 3.100 1.200 1.200 peak 657 spectrum 1 weight 0.10000E+01 volume 0.10750E-02 ppm1 6.660 ppm2 2.692 CV 1 ASSI { 658} (( segid "A " and resid 93 and name HD22)) (( segid "A " and resid 35 and name HG1 )) 3.400 3.400 2.600 peak 658 spectrum 1 weight 0.10000E+01 volume 0.58882E-03 ppm1 6.660 ppm2 1.451 CV 1 OR { 658} (( segid "A " and resid 93 and name HD22)) (( segid "A " and resid 35 and name HG2 )) ASSI { 659} (( segid "A " and resid 93 and name HD22)) (( segid "A " and resid 35 and name HB1 )) 3.300 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.64701E-03 ppm1 6.662 ppm2 1.722 CV 1 ASSI { 660} (( segid "A " and resid 93 and name HD21)) (( segid "A " and resid 35 and name HB1 )) 4.000 2.000 2.000 peak 660 spectrum 1 weight 0.10000E+01 volume 0.21600E-03 ppm1 7.524 ppm2 1.734 CV 1 ASSI { 661} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 93 and name HB1 )) 3.200 1.300 1.300 peak 661 spectrum 1 weight 0.10000E+01 volume 0.82750E-03 ppm1 8.549 ppm2 2.711 CV 1 ASSI { 662} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 89 and name HA )) 3.500 1.500 1.500 peak 662 spectrum 1 weight 0.10000E+01 volume 0.49610E-03 ppm1 8.551 ppm2 3.797 CV 1 ASSI { 663} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 89 and name HG2 )) 5.200 3.400 0.800 peak 663 spectrum 1 weight 0.10000E+01 volume 0.44481E-04 ppm1 8.551 ppm2 1.669 CV 1 OR { 663} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 89 and name HG1 )) ASSI { 664} (( segid "A " and resid 94 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.400 1.500 1.500 peak 664 spectrum 1 weight 0.10000E+01 volume 0.56416E-03 ppm1 8.549 ppm2 0.924 CV 1 ASSI { 665} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 95 and name HB1 )) 3.800 1.800 1.800 peak 665 spectrum 1 weight 0.10000E+01 volume 0.32251E-03 ppm1 8.544 ppm2 3.205 CV 1 OR { 665} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 95 and name HB2 )) ASSI { 666} (( segid "A " and resid 94 and name HN )) (( segid "A " and resid 90 and name HA )) 5.100 3.200 0.900 peak 666 spectrum 1 weight 0.10000E+01 volume 0.54049E-04 ppm1 8.552 ppm2 4.458 CV 1 ASSI { 667} (( segid "A " and resid 94 and name HN )) ( segid "A " and resid 94 and name HD% ) 3.000 1.100 1.100 peak 667 spectrum 1 weight 0.10000E+01 volume 0.12822E-02 ppm1 8.548 ppm2 6.377 CV 1 ASSI { 670} (( segid "A " and resid 96 and name HN )) ( segid "A " and resid 95 and name HE% ) 3.800 3.800 2.200 peak 670 spectrum 1 weight 0.10000E+01 volume 0.28109E-03 ppm1 9.815 ppm2 7.169 CV 1 ASSI { 671} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 95 and name HB2 )) 3.700 1.700 1.700 peak 671 spectrum 1 weight 0.10000E+01 volume 0.36690E-03 ppm1 9.812 ppm2 3.214 CV 1 ASSI { 672} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 100 and name HB2 )) 4.300 2.300 1.700 peak 672 spectrum 1 weight 0.10000E+01 volume 0.14893E-03 ppm1 9.812 ppm2 2.574 CV 1 ASSI { 673} (( segid "A " and resid 96 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.900 1.900 1.900 peak 673 spectrum 1 weight 0.10000E+01 volume 0.24262E-03 ppm1 9.810 ppm2 0.917 CV 1 ASSI { 674} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 96 and name HB2 )) 3.500 1.500 1.500 peak 674 spectrum 1 weight 0.10000E+01 volume 0.47736E-03 ppm1 9.808 ppm2 3.471 CV 1 ASSI { 675} (( segid "A " and resid 96 and name HN )) (( segid "A " and resid 34 and name HN )) 3.500 3.500 2.500 peak 675 spectrum 1 weight 0.10000E+01 volume 0.51287E-03 ppm1 9.807 ppm2 8.412 CV 1 ASSI { 676} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 36 and name HA )) 4.100 2.100 1.900 peak 676 spectrum 1 weight 0.10000E+01 volume 0.18147E-03 ppm1 10.204 ppm2 5.425 CV 1 ASSI { 677} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 34 and name HN )) 3.700 1.700 1.700 peak 677 spectrum 1 weight 0.10000E+01 volume 0.33534E-03 ppm1 10.199 ppm2 8.423 CV 1 ASSI { 678} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 34 and name HG2 )) 3.700 1.700 1.700 peak 678 spectrum 1 weight 0.10000E+01 volume 0.35112E-03 ppm1 10.209 ppm2 1.154 CV 1 ASSI { 679} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 34 and name HB1 )) 6.000 6.000 0.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.83834E-05 ppm1 10.210 ppm2 1.437 CV 1 ASSI { 680} (( segid "A " and resid 96 and name HE1 )) (( segid "A " and resid 97 and name HB2 )) 5.500 3.800 0.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.31463E-04 ppm1 10.203 ppm2 4.063 CV 1 ASSI { 681} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 96 and name HN )) 3.000 1.100 1.100 peak 681 spectrum 1 weight 0.10000E+01 volume 0.11836E-02 ppm1 7.806 ppm2 9.800 CV 1 ASSI { 682} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HA )) 3.400 1.500 1.500 peak 682 spectrum 1 weight 0.10000E+01 volume 0.57106E-03 ppm1 7.811 ppm2 5.090 CV 1 ASSI { 683} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HB1 )) 3.000 1.100 1.100 peak 683 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 7.809 ppm2 3.643 CV 1 ASSI { 684} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 95 and name HB2 )) 3.000 1.100 1.100 peak 684 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 7.809 ppm2 3.202 CV 1 ASSI { 685} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 100 and name HB2 )) 3.200 1.300 1.300 peak 685 spectrum 1 weight 0.10000E+01 volume 0.89949E-03 ppm1 7.811 ppm2 2.563 CV 1 ASSI { 686} (( segid "A " and resid 97 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.100 1.200 1.200 peak 686 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 7.810 ppm2 0.897 CV 1 ASSI { 687} (( segid "A " and resid 97 and name HN )) (( segid "A " and resid 97 and name HB2 )) 3.100 1.200 1.200 peak 687 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 7.813 ppm2 4.063 CV 1 ASSI { 689} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 36 and name HN )) 4.400 2.400 1.600 peak 689 spectrum 1 weight 0.10000E+01 volume 0.12723E-03 ppm1 10.375 ppm2 7.050 CV 1 ASSI { 690} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HA )) 2.800 1.000 1.000 peak 690 spectrum 1 weight 0.10000E+01 volume 0.20021E-02 ppm1 10.372 ppm2 5.069 CV 1 ASSI { 691} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 97 and name HB1 )) 4.400 2.400 1.600 peak 691 spectrum 1 weight 0.10000E+01 volume 0.13216E-03 ppm1 10.374 ppm2 3.674 CV 1 ASSI { 692} (( segid "A " and resid 98 and name HN )) (( segid "A " and resid 101 and name HB1 )) 3.900 1.900 1.900 peak 692 spectrum 1 weight 0.10000E+01 volume 0.26235E-03 ppm1 10.368 ppm2 1.867 CV 1 ASSI { 694} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 102 and name HN )) 4.400 2.400 1.600 peak 694 spectrum 1 weight 0.10000E+01 volume 0.13118E-03 ppm1 7.571 ppm2 8.717 CV 1 ASSI { 695} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 95 and name HE% ) 3.800 1.800 1.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.31167E-03 ppm1 7.572 ppm2 7.203 CV 1 ASSI { 696} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 101 and name HN )) 2.600 0.900 0.900 peak 696 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 7.575 ppm2 6.500 CV 1 ASSI { 697} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 97 and name HA )) 5.800 4.200 0.200 peak 697 spectrum 1 weight 0.10000E+01 volume 0.24262E-04 ppm1 7.568 ppm2 5.067 CV 1 ASSI { 698} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 99 and name HA )) 2.700 0.900 0.900 peak 698 spectrum 1 weight 0.10000E+01 volume 0.23671E-02 ppm1 7.576 ppm2 3.988 CV 1 ASSI { 699} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 100 and name HA )) 2.500 0.800 0.800 peak 699 spectrum 1 weight 0.10000E+01 volume 0.35803E-02 ppm1 7.574 ppm2 4.233 CV 1 ASSI { 700} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 95 and name HB2 )) 4.700 2.700 1.300 peak 700 spectrum 1 weight 0.10000E+01 volume 0.89358E-04 ppm1 7.582 ppm2 3.201 CV 1 ASSI { 701} (( segid "A " and resid 100 and name HN )) (( segid "A " and resid 101 and name HB1 )) 4.100 2.100 1.900 peak 701 spectrum 1 weight 0.10000E+01 volume 0.18444E-03 ppm1 7.576 ppm2 1.834 CV 1 ASSI { 702} (( segid "A " and resid 100 and name HN )) ( segid "A " and resid 39 and name HD2%) 3.700 1.700 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.38170E-03 ppm1 7.573 ppm2 0.904 CV 1 ASSI { 703} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 102 and name HN )) 2.500 0.800 0.800 peak 703 spectrum 1 weight 0.10000E+01 volume 0.35309E-02 ppm1 6.499 ppm2 8.712 CV 1 ASSI { 704} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 103 and name HN )) 3.000 1.100 1.100 peak 704 spectrum 1 weight 0.10000E+01 volume 0.13118E-02 ppm1 6.501 ppm2 7.781 CV 1 ASSI { 705} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 95 and name HE% ) 3.300 1.300 1.300 peak 705 spectrum 1 weight 0.10000E+01 volume 0.73084E-03 ppm1 6.503 ppm2 7.206 CV 1 ASSI { 706} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 100 and name HA )) 3.000 1.100 1.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.12723E-02 ppm1 6.495 ppm2 4.236 CV 1 ASSI { 707} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HA )) 2.800 1.000 1.000 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19134E-02 ppm1 6.494 ppm2 3.675 CV 1 ASSI { 708} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 95 and name HB2 )) 3.800 1.800 1.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.28504E-03 ppm1 6.493 ppm2 3.183 CV 1 OR { 708} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 95 and name HB1 )) ASSI { 709} (( segid "A " and resid 101 and name HN )) (( segid "A " and resid 101 and name HB1 )) 2.600 0.800 0.800 peak 709 spectrum 1 weight 0.10000E+01 volume 0.32843E-02 ppm1 6.497 ppm2 1.845 CV 1 ASSI { 710} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 98 and name HB% ) 2.700 2.700 3.300 peak 710 spectrum 1 weight 0.10000E+01 volume 0.22192E-02 ppm1 6.496 ppm2 1.398 CV 1 ASSI { 711} (( segid "A " and resid 101 and name HN )) ( segid "A " and resid 39 and name HD2%) 2.700 2.700 3.300 peak 711 spectrum 1 weight 0.10000E+01 volume 0.23573E-02 ppm1 6.497 ppm2 0.879 CV 1 ASSI { 713} (( segid "A " and resid 102 and name HN )) (( segid "A " and resid 102 and name HB2 )) 2.700 0.900 0.900 peak 713 spectrum 1 weight 0.10000E+01 volume 0.23375E-02 ppm1 8.713 ppm2 2.779 CV 1 ASSI { 715} (( segid "A " and resid 134 and name HN )) ( segid "A " and resid 133 and name HD% ) 2.900 1.000 1.000 peak 715 spectrum 1 weight 0.10000E+01 volume 0.16176E-02 ppm1 8.719 ppm2 6.704 CV 1 ASSI { 716} (( segid "A " and resid 134 and name HN )) ( segid "A " and resid 133 and name HE% ) 3.100 3.100 2.900 peak 716 spectrum 1 weight 0.10000E+01 volume 0.10553E-02 ppm1 8.722 ppm2 6.921 CV 1 ASSI { 717} (( segid "A " and resid 134 and name HN )) ( segid "A " and resid 134 and name HD1%) 2.500 0.800 0.800 peak 717 spectrum 1 weight 0.10000E+01 volume 0.36591E-02 ppm1 8.720 ppm2 1.992 CV 1 ASSI { 718} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 133 and name HB1 )) 3.200 1.300 1.300 peak 718 spectrum 1 weight 0.10000E+01 volume 0.82059E-03 ppm1 8.727 ppm2 3.019 CV 1 ASSI { 719} (( segid "A " and resid 134 and name HN )) (( segid "A " and resid 133 and name HB2 )) 4.100 2.100 1.900 peak 719 spectrum 1 weight 0.10000E+01 volume 0.19430E-03 ppm1 8.724 ppm2 3.533 CV 1 ASSI { 720} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 139 and name HB1 )) 2.600 2.600 3.400 peak 720 spectrum 1 weight 0.10000E+01 volume 0.30377E-02 ppm1 8.452 ppm2 1.943 CV 1 ASSI { 721} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HB2 )) 2.600 0.800 0.800 peak 721 spectrum 1 weight 0.10000E+01 volume 0.30279E-02 ppm1 8.455 ppm2 2.272 CV 1 ASSI { 722} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 103 and name HB2 )) 2.000 0.500 0.500 peak 722 spectrum 1 weight 0.10000E+01 volume 0.13906E-01 ppm1 7.788 ppm2 2.344 CV 1 ASSI { 723} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HB2 )) 3.400 1.400 1.400 peak 723 spectrum 1 weight 0.10000E+01 volume 0.59473E-03 ppm1 7.789 ppm2 2.812 CV 1 ASSI { 724} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 140 and name HB1 )) 2.100 2.100 3.900 peak 724 spectrum 1 weight 0.10000E+01 volume 0.12131E-01 ppm1 7.057 ppm2 1.902 CV 1 ASSI { 725} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 140 and name HB2 )) 2.300 0.600 0.600 peak 725 spectrum 1 weight 0.10000E+01 volume 0.64898E-02 ppm1 7.056 ppm2 1.576 CV 1 ASSI { 726} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 139 and name HB1 )) 2.300 0.700 0.700 peak 726 spectrum 1 weight 0.10000E+01 volume 0.62925E-02 ppm1 6.853 ppm2 1.935 CV 1 ASSI { 727} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 138 and name HB% ) 2.400 0.700 0.700 peak 727 spectrum 1 weight 0.10000E+01 volume 0.50991E-02 ppm1 6.854 ppm2 1.507 CV 1 ASSI { 728} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HB2 )) 2.900 1.100 1.100 peak 728 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 9.013 ppm2 2.063 CV 1 ASSI { 729} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 101 and name HA )) 3.800 1.800 1.800 peak 729 spectrum 1 weight 0.10000E+01 volume 0.30082E-03 ppm1 7.790 ppm2 3.682 CV 1 ASSI { 731} (( segid "A " and resid 103 and name HN )) (( segid "A " and resid 102 and name HN )) 2.600 0.900 0.900 peak 731 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 7.790 ppm2 8.706 CV 1 ASSI { 732} (( segid "A " and resid 103 and name HE22)) (( segid "A " and resid 103 and name HG1 )) 2.700 0.900 0.900 peak 732 spectrum 1 weight 0.10000E+01 volume 0.21699E-02 ppm1 6.972 ppm2 2.573 CV 1 OR { 732} (( segid "A " and resid 103 and name HE22)) (( segid "A " and resid 103 and name HG2 )) ASSI { 733} (( segid "A " and resid 103 and name HE22)) (( segid "A " and resid 103 and name HE21)) 1.600 0.300 0.600 peak 733 spectrum 1 weight 0.10000E+01 volume 0.58684E-01 ppm1 6.971 ppm2 7.555 CV 1 ASSI { 735} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 105 and name HN )) 2.700 0.900 0.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 7.706 ppm2 8.185 CV 1 ASSI { 736} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 105 and name HD% ) 3.400 3.400 2.600 peak 736 spectrum 1 weight 0.10000E+01 volume 0.60854E-03 ppm1 7.700 ppm2 6.879 CV 1 ASSI { 737} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 106 and name HN )) 4.100 2.100 1.900 peak 737 spectrum 1 weight 0.10000E+01 volume 0.19035E-03 ppm1 7.704 ppm2 8.423 CV 1 ASSI { 738} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 102 and name HN )) 4.800 2.900 1.200 peak 738 spectrum 1 weight 0.10000E+01 volume 0.69829E-04 ppm1 7.708 ppm2 8.702 CV 1 ASSI { 739} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 107 and name HN )) 3.600 1.700 1.700 peak 739 spectrum 1 weight 0.10000E+01 volume 0.38465E-03 ppm1 7.706 ppm2 9.029 CV 1 ASSI { 740} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 95 and name HE% ) 4.300 2.300 1.700 peak 740 spectrum 1 weight 0.10000E+01 volume 0.13710E-03 ppm1 7.703 ppm2 7.169 CV 1 ASSI { 741} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 101 and name HN )) 5.500 3.800 0.500 peak 741 spectrum 1 weight 0.10000E+01 volume 0.31857E-04 ppm1 7.708 ppm2 6.517 CV 1 ASSI { 742} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HA )) 2.600 0.900 0.900 peak 742 spectrum 1 weight 0.10000E+01 volume 0.26531E-02 ppm1 7.707 ppm2 4.516 CV 1 ASSI { 743} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 101 and name HA )) 2.900 1.000 1.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 7.704 ppm2 3.662 CV 1 ASSI { 744} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 104 and name HB2 )) 2.300 2.300 3.700 peak 744 spectrum 1 weight 0.10000E+01 volume 0.57797E-02 ppm1 7.704 ppm2 2.955 CV 1 ASSI { 745} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 103 and name HB2 )) 2.300 0.700 0.700 peak 745 spectrum 1 weight 0.10000E+01 volume 0.58586E-02 ppm1 7.705 ppm2 2.338 CV 1 ASSI { 746} (( segid "A " and resid 104 and name HN )) (( segid "A " and resid 101 and name HB1 )) 3.400 3.400 2.600 peak 746 spectrum 1 weight 0.10000E+01 volume 0.61741E-03 ppm1 7.703 ppm2 1.826 CV 1 ASSI { 747} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 86 and name HG2%) 3.600 1.600 1.600 peak 747 spectrum 1 weight 0.10000E+01 volume 0.43693E-03 ppm1 7.701 ppm2 0.810 CV 1 ASSI { 748} (( segid "A " and resid 104 and name HN )) ( segid "A " and resid 86 and name HD1%) 3.900 1.900 1.900 peak 748 spectrum 1 weight 0.10000E+01 volume 0.25249E-03 ppm1 7.704 ppm2 -0.483 CV 1 ASSI { 749} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 106 and name HN )) 3.200 1.300 1.300 peak 749 spectrum 1 weight 0.10000E+01 volume 0.81863E-03 ppm1 8.181 ppm2 8.429 CV 1 ASSI { 750} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 107 and name HN )) 4.400 2.400 1.600 peak 750 spectrum 1 weight 0.10000E+01 volume 0.12920E-03 ppm1 8.184 ppm2 9.038 CV 1 ASSI { 753} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 102 and name HA )) 2.800 1.000 1.000 peak 753 spectrum 1 weight 0.10000E+01 volume 0.17359E-02 ppm1 8.179 ppm2 4.306 CV 1 ASSI { 754} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 125 and name HA )) 2.600 0.900 0.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 8.185 ppm2 3.743 CV 1 ASSI { 756} (( segid "A " and resid 105 and name HN )) (( segid "A " and resid 105 and name HB1 )) 2.500 0.800 0.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.38366E-02 ppm1 8.183 ppm2 2.092 CV 1 ASSI { 757} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 122 and name HG11)) 2.800 2.800 3.200 peak 757 spectrum 1 weight 0.10000E+01 volume 0.17359E-02 ppm1 8.186 ppm2 1.073 CV 1 ASSI { 758} (( segid "A " and resid 105 and name HN )) ( segid "A " and resid 86 and name HD1%) 3.000 1.100 1.100 peak 758 spectrum 1 weight 0.10000E+01 volume 0.12230E-02 ppm1 8.183 ppm2 -0.479 CV 1 ASSI { 759} (( segid "A " and resid 125 and name HN )) (( segid "A " and resid 124 and name HB1 )) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.27715E-03 ppm1 8.183 ppm2 1.587 CV 1 ASSI { 761} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 107 and name HN )) 2.900 1.000 1.000 peak 761 spectrum 1 weight 0.10000E+01 volume 0.15879E-02 ppm1 8.426 ppm2 9.037 CV 1 ASSI { 762} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 106 and name HA )) 2.500 0.800 0.800 peak 762 spectrum 1 weight 0.10000E+01 volume 0.35506E-02 ppm1 8.428 ppm2 4.699 CV 1 ASSI { 763} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 106 and name HB1 )) 2.000 0.500 0.500 peak 763 spectrum 1 weight 0.10000E+01 volume 0.13611E-01 ppm1 8.426 ppm2 3.016 CV 1 OR { 763} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 106 and name HB2 )) ASSI { 764} (( segid "A " and resid 106 and name HN )) (( segid "A " and resid 105 and name HB1 )) 4.600 2.600 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.95473E-04 ppm1 8.427 ppm2 2.072 CV 1 ASSI { 765} (( segid "A " and resid 106 and name HN )) ( segid "A " and resid 86 and name HD1%) 6.000 4.900 0.000 peak 765 spectrum 1 weight 0.10000E+01 volume 0.14992E-04 ppm1 8.423 ppm2 -0.466 CV 1 ASSI { 766} (( segid "A " and resid 106 and name HD21)) (( segid "A " and resid 106 and name HA )) 3.100 1.200 1.200 peak 766 spectrum 1 weight 0.10000E+01 volume 0.98436E-03 ppm1 7.719 ppm2 4.745 CV 1 ASSI { 767} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 106 and name HA )) 2.600 2.600 3.400 peak 767 spectrum 1 weight 0.10000E+01 volume 0.30871E-02 ppm1 9.035 ppm2 4.758 CV 1 ASSI { 768} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 104 and name HA )) 3.600 1.600 1.600 peak 768 spectrum 1 weight 0.10000E+01 volume 0.42411E-03 ppm1 9.033 ppm2 4.516 CV 1 ASSI { 769} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 107 and name HA )) 2.900 1.000 1.000 peak 769 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 9.037 ppm2 3.841 CV 1 ASSI { 770} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 108 and name HB2 )) 2.900 2.900 3.100 peak 770 spectrum 1 weight 0.10000E+01 volume 0.15978E-02 ppm1 9.030 ppm2 2.034 CV 1 OR { 770} (( segid "A " and resid 107 and name HN )) (( segid "A " and resid 108 and name HB1 )) ASSI { 774} (( segid "A " and resid 107 and name HN )) ( segid "A " and resid 107 and name HG2%) 2.700 2.700 3.300 peak 774 spectrum 1 weight 0.10000E+01 volume 0.23474E-02 ppm1 9.036 ppm2 1.289 CV 1 ASSI { 775} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 104 and name HA )) 4.400 2.400 1.600 peak 775 spectrum 1 weight 0.10000E+01 volume 0.12131E-03 ppm1 7.854 ppm2 4.535 CV 1 ASSI { 776} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HB )) 2.900 1.000 1.000 peak 776 spectrum 1 weight 0.10000E+01 volume 0.16570E-02 ppm1 7.854 ppm2 4.322 CV 1 ASSI { 777} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 82 and name HN )) 4.100 2.100 1.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.18739E-03 ppm1 7.865 ppm2 7.435 CV 1 ASSI { 779} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 107 and name HN )) 2.900 1.000 1.000 peak 779 spectrum 1 weight 0.10000E+01 volume 0.15682E-02 ppm1 7.858 ppm2 9.046 CV 1 ASSI { 780} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 106 and name HB1 )) 3.100 3.100 2.900 peak 780 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 7.863 ppm2 2.957 CV 1 OR { 780} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 106 and name HB2 )) ASSI { 781} (( segid "A " and resid 108 and name HN )) (( segid "A " and resid 108 and name HB2 )) 2.600 0.900 0.900 peak 781 spectrum 1 weight 0.10000E+01 volume 0.26334E-02 ppm1 7.861 ppm2 2.024 CV 1 ASSI { 782} (( segid "A " and resid 108 and name HN )) ( segid "A " and resid 107 and name HG2%) 2.600 0.800 0.800 peak 782 spectrum 1 weight 0.10000E+01 volume 0.31857E-02 ppm1 7.861 ppm2 1.270 CV 1 ASSI { 783} (( segid "A " and resid 108 and name HN )) ( segid "A " and resid 86 and name HD1%) 2.700 0.900 0.900 peak 783 spectrum 1 weight 0.10000E+01 volume 0.25348E-02 ppm1 7.863 ppm2 -0.472 CV 1 ASSI { 784} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 110 and name HN )) 2.700 0.900 0.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 8.078 ppm2 8.690 CV 1 ASSI { 785} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HN )) 2.900 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.14696E-02 ppm1 8.076 ppm2 7.859 CV 1 ASSI { 786} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 109 and name HD% ) 2.700 0.900 0.900 peak 786 spectrum 1 weight 0.10000E+01 volume 0.23967E-02 ppm1 8.074 ppm2 6.929 CV 1 ASSI { 787} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 110 and name HB )) 3.900 3.900 2.100 peak 787 spectrum 1 weight 0.10000E+01 volume 0.26926E-03 ppm1 8.065 ppm2 4.338 CV 1 ASSI { 788} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HA )) 4.100 2.100 1.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.19430E-03 ppm1 8.077 ppm2 3.531 CV 1 ASSI { 789} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 109 and name HB2 )) 2.600 0.800 0.800 peak 789 spectrum 1 weight 0.10000E+01 volume 0.32251E-02 ppm1 8.075 ppm2 2.897 CV 1 ASSI { 790} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HB1 )) 2.600 0.900 0.900 peak 790 spectrum 1 weight 0.10000E+01 volume 0.26728E-02 ppm1 8.074 ppm2 2.006 CV 1 OR { 790} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 108 and name HB2 )) ASSI { 791} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 110 and name HG2%) 3.700 1.700 1.700 peak 791 spectrum 1 weight 0.10000E+01 volume 0.36690E-03 ppm1 8.072 ppm2 1.440 CV 1 ASSI { 792} (( segid "A " and resid 109 and name HN )) ( segid "A " and resid 107 and name HG2%) 3.500 1.500 1.500 peak 792 spectrum 1 weight 0.10000E+01 volume 0.51583E-03 ppm1 8.079 ppm2 1.291 CV 1 ASSI { 794} (( segid "A " and resid 110 and name HN )) ( segid "A " and resid 114 and name HD1%) 3.500 1.600 1.600 peak 794 spectrum 1 weight 0.10000E+01 volume 0.45764E-03 ppm1 8.670 ppm2 0.879 CV 1 ASSI { 795} (( segid "A " and resid 110 and name HN )) ( segid "A " and resid 110 and name HG2%) 2.600 0.800 0.800 peak 795 spectrum 1 weight 0.10000E+01 volume 0.30674E-02 ppm1 8.671 ppm2 1.433 CV 1 ASSI { 796} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 110 and name HN )) 2.600 0.800 0.800 peak 796 spectrum 1 weight 0.10000E+01 volume 0.32548E-02 ppm1 8.836 ppm2 8.705 CV 1 ASSI { 797} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB2 )) 2.600 0.900 0.900 peak 797 spectrum 1 weight 0.10000E+01 volume 0.28208E-02 ppm1 8.835 ppm2 2.961 CV 1 ASSI { 798} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 112 and name HB2 )) 3.200 3.200 2.800 peak 798 spectrum 1 weight 0.10000E+01 volume 0.77818E-03 ppm1 8.834 ppm2 3.154 CV 1 ASSI { 799} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HB1 )) 2.700 0.900 0.900 peak 799 spectrum 1 weight 0.10000E+01 volume 0.24164E-02 ppm1 8.837 ppm2 2.591 CV 1 ASSI { 800} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 110 and name HG2%) 2.900 1.100 1.100 peak 800 spectrum 1 weight 0.10000E+01 volume 0.14992E-02 ppm1 8.834 ppm2 1.432 CV 1 ASSI { 801} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 107 and name HG2%) 3.100 1.200 1.200 peak 801 spectrum 1 weight 0.10000E+01 volume 0.10061E-02 ppm1 8.837 ppm2 1.294 CV 1 ASSI { 802} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 114 and name HD1%) 3.100 1.200 1.200 peak 802 spectrum 1 weight 0.10000E+01 volume 0.93202E-03 ppm1 8.837 ppm2 0.891 CV 1 ASSI { 803} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 77 and name HD1%) 3.500 1.600 1.600 peak 803 spectrum 1 weight 0.10000E+01 volume 0.47145E-03 ppm1 8.839 ppm2 0.693 CV 1 ASSI { 804} (( segid "A " and resid 111 and name HN )) ( segid "A " and resid 77 and name HG2%) 3.700 1.700 1.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.35901E-03 ppm1 8.836 ppm2 0.461 CV 1 ASSI { 805} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HD21)) 3.400 1.400 1.400 peak 805 spectrum 1 weight 0.10000E+01 volume 0.63517E-03 ppm1 8.835 ppm2 6.736 CV 1 ASSI { 806} (( segid "A " and resid 111 and name HN )) (( segid "A " and resid 111 and name HD22)) 3.900 1.900 1.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.24854E-03 ppm1 8.827 ppm2 7.427 CV 1 ASSI { 807} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 38 and name HE22)) 3.700 1.700 1.700 peak 807 spectrum 1 weight 0.10000E+01 volume 0.38170E-03 ppm1 8.842 ppm2 6.395 CV 1 ASSI { 808} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 38 and name HE22)) 3.100 1.200 1.200 peak 808 spectrum 1 weight 0.10000E+01 volume 0.97937E-03 ppm1 7.906 ppm2 6.405 CV 1 ASSI { 809} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 143 and name HA )) 2.200 2.200 3.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.88075E-02 ppm1 8.842 ppm2 4.507 CV 1 ASSI { 810} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 143 and name HA )) 2.200 0.600 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.71901E-02 ppm1 7.911 ppm2 4.493 CV 1 ASSI { 811} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HE22)) 6.000 4.800 0.000 peak 811 spectrum 1 weight 0.10000E+01 volume 0.16471E-04 ppm1 8.003 ppm2 6.398 CV 1 ASSI { 812} (( segid "A " and resid 38 and name HN )) (( segid "A " and resid 38 and name HE21)) 4.700 2.800 1.300 peak 812 spectrum 1 weight 0.10000E+01 volume 0.81369E-04 ppm1 8.009 ppm2 7.461 CV 1 ASSI { 813} (( segid "A " and resid 99 and name HN )) ( segid "A " and resid 140 and name HE% ) 3.600 1.600 1.600 peak 813 spectrum 1 weight 0.10000E+01 volume 0.44285E-03 ppm1 9.072 ppm2 2.082 CV 1 ASSI { 814} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 97 and name HA )) 4.500 2.600 1.500 peak 814 spectrum 1 weight 0.10000E+01 volume 0.10455E-03 ppm1 9.068 ppm2 5.055 CV 1 ASSI { 815} (( segid "A " and resid 99 and name HN )) (( segid "A " and resid 102 and name HN )) 4.400 2.400 1.600 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12230E-03 ppm1 9.067 ppm2 8.718 CV 1 ASSI { 816} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HA )) 3.100 1.200 1.200 peak 816 spectrum 1 weight 0.10000E+01 volume 0.10948E-02 ppm1 6.936 ppm2 4.164 CV 1 ASSI { 817} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HB2 )) 2.800 1.000 1.000 peak 817 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 6.940 ppm2 3.177 CV 1 ASSI { 818} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 112 and name HB1 )) 2.300 0.700 0.700 peak 818 spectrum 1 weight 0.10000E+01 volume 0.55528E-02 ppm1 6.940 ppm2 3.060 CV 1 ASSI { 819} (( segid "A " and resid 112 and name HN )) (( segid "A " and resid 122 and name HG12)) 6.000 6.000 0.000 peak 819 spectrum 1 weight 0.10000E+01 volume 0.67660E-05 ppm1 6.936 ppm2 1.368 CV 1 ASSI { 820} (( segid "A " and resid 112 and name HN )) ( segid "A " and resid 77 and name HD1%) 4.900 3.000 1.100 peak 820 spectrum 1 weight 0.10000E+01 volume 0.67856E-04 ppm1 6.937 ppm2 0.704 CV 1 ASSI { 821} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 115 and name HN )) 4.000 2.000 2.000 peak 821 spectrum 1 weight 0.10000E+01 volume 0.21008E-03 ppm1 7.715 ppm2 8.253 CV 1 ASSI { 822} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 109 and name HA )) 3.000 3.000 3.000 peak 822 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 7.721 ppm2 3.895 CV 1 ASSI { 823} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 113 and name HB1 )) 2.700 0.900 0.900 peak 823 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 7.727 ppm2 3.295 CV 1 ASSI { 824} (( segid "A " and resid 113 and name HN )) ( segid "A " and resid 123 and name HG1%) 3.900 1.900 1.900 peak 824 spectrum 1 weight 0.10000E+01 volume 0.26630E-03 ppm1 7.723 ppm2 1.131 CV 1 ASSI { 825} (( segid "A " and resid 113 and name HN )) ( segid "A " and resid 110 and name HG2%) 3.900 1.900 1.900 peak 825 spectrum 1 weight 0.10000E+01 volume 0.24559E-03 ppm1 7.716 ppm2 1.427 CV 1 ASSI { 826} (( segid "A " and resid 113 and name HN )) (( segid "A " and resid 112 and name HB1 )) 2.700 0.900 0.900 peak 826 spectrum 1 weight 0.10000E+01 volume 0.22290E-02 ppm1 7.724 ppm2 3.113 CV 1 ASSI { 827} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 115 and name HN )) 2.700 0.900 0.900 peak 827 spectrum 1 weight 0.10000E+01 volume 0.21797E-02 ppm1 8.670 ppm2 8.228 CV 1 ASSI { 828} (( segid "A " and resid 114 and name HN )) ( segid "A " and resid 113 and name HD% ) 3.400 1.500 1.500 peak 828 spectrum 1 weight 0.10000E+01 volume 0.56515E-03 ppm1 8.673 ppm2 7.032 CV 1 ASSI { 829} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 112 and name HN )) 3.500 1.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.50301E-03 ppm1 8.673 ppm2 6.968 CV 1 ASSI { 830} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HA )) 2.600 0.800 0.800 peak 830 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 8.671 ppm2 4.025 CV 1 ASSI { 831} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 113 and name HB2 )) 3.500 1.500 1.500 peak 831 spectrum 1 weight 0.10000E+01 volume 0.51287E-03 ppm1 8.669 ppm2 3.365 CV 1 ASSI { 832} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 113 and name HB1 )) 3.300 1.300 1.300 peak 832 spectrum 1 weight 0.10000E+01 volume 0.75649E-03 ppm1 8.669 ppm2 3.248 CV 1 ASSI { 833} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 114 and name HG12)) 3.000 1.100 1.100 peak 833 spectrum 1 weight 0.10000E+01 volume 0.12526E-02 ppm1 8.668 ppm2 1.232 CV 1 ASSI { 834} (( segid "A " and resid 114 and name HN )) ( segid "A " and resid 77 and name HD1%) 3.800 1.800 1.800 peak 834 spectrum 1 weight 0.10000E+01 volume 0.32251E-03 ppm1 8.668 ppm2 0.670 CV 1 ASSI { 835} (( segid "A " and resid 114 and name HN )) (( segid "A " and resid 116 and name HN )) 4.100 2.100 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.18838E-03 ppm1 8.671 ppm2 7.423 CV 1 ASSI { 836} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 116 and name HA )) 2.600 0.800 0.800 peak 836 spectrum 1 weight 0.10000E+01 volume 0.29688E-02 ppm1 7.446 ppm2 4.709 CV 1 ASSI { 837} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 114 and name HB )) 3.300 1.400 1.400 peak 837 spectrum 1 weight 0.10000E+01 volume 0.67068E-03 ppm1 7.446 ppm2 1.939 CV 1 ASSI { 838} (( segid "A " and resid 142 and name HN )) (( segid "A " and resid 141 and name HA )) 2.100 0.500 0.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 8.514 ppm2 4.263 CV 1 ASSI { 839} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 117 and name HA )) 2.600 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.29589E-02 ppm1 8.522 ppm2 4.512 CV 1 ASSI { 840} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 116 and name HB1 )) 2.500 0.800 0.800 peak 840 spectrum 1 weight 0.10000E+01 volume 0.41523E-02 ppm1 8.521 ppm2 2.811 CV 1 ASSI { 841} (( segid "A " and resid 142 and name HN )) (( segid "A " and resid 142 and name HB1 )) 2.100 2.100 3.900 peak 841 spectrum 1 weight 0.10000E+01 volume 0.10652E-01 ppm1 8.515 ppm2 1.941 CV 1 ASSI { 842} (( segid "A " and resid 117 and name HN )) (( segid "A " and resid 117 and name HB2 )) 2.400 0.700 0.700 peak 842 spectrum 1 weight 0.10000E+01 volume 0.47540E-02 ppm1 8.521 ppm2 1.789 CV 1 ASSI { 843} (( segid "A " and resid 142 and name HN )) (( segid "A " and resid 140 and name HB2 )) 3.100 3.100 2.900 peak 843 spectrum 1 weight 0.10000E+01 volume 0.94189E-03 ppm1 8.522 ppm2 1.599 CV 1 ASSI { 844} (( segid "A " and resid 117 and name HN )) ( segid "A " and resid 123 and name HG1%) 2.900 2.900 3.100 peak 844 spectrum 1 weight 0.10000E+01 volume 0.14498E-02 ppm1 8.525 ppm2 1.148 CV 1 ASSI { 845} (( segid "A " and resid 117 and name HN )) ( segid "A " and resid 122 and name HG2%) 3.500 3.500 2.500 peak 845 spectrum 1 weight 0.10000E+01 volume 0.52964E-03 ppm1 8.524 ppm2 0.898 CV 1 ASSI { 846} (( segid "A " and resid 142 and name HN )) (( segid "A " and resid 142 and name HB2 )) 3.200 1.300 1.300 peak 846 spectrum 1 weight 0.10000E+01 volume 0.85512E-03 ppm1 8.513 ppm2 2.150 CV 1 ASSI { 847} (( segid "A " and resid 126 and name HN )) ( segid "A " and resid 126 and name HB% ) 2.200 0.600 0.600 peak 847 spectrum 1 weight 0.10000E+01 volume 0.72196E-02 ppm1 8.577 ppm2 1.882 CV 1 ASSI { 848} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 125 and name HN )) 2.600 0.900 0.900 peak 848 spectrum 1 weight 0.10000E+01 volume 0.26531E-02 ppm1 8.576 ppm2 8.188 CV 1 ASSI { 849} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 127 and name HN )) 2.800 1.000 1.000 peak 849 spectrum 1 weight 0.10000E+01 volume 0.19430E-02 ppm1 8.577 ppm2 8.925 CV 1 ASSI { 850} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 117 and name HN )) 2.800 2.800 3.200 peak 850 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 6.811 ppm2 8.522 CV 1 ASSI { 852} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 119 and name HA )) 2.300 0.700 0.700 peak 852 spectrum 1 weight 0.10000E+01 volume 0.63419E-02 ppm1 6.817 ppm2 4.269 CV 1 ASSI { 853} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HD2 )) 2.600 0.900 0.900 peak 853 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 6.814 ppm2 3.845 CV 1 ASSI { 855} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HB2 )) 3.000 1.200 1.200 peak 855 spectrum 1 weight 0.10000E+01 volume 0.11539E-02 ppm1 6.816 ppm2 2.419 CV 1 ASSI { 856} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 117 and name HB1 )) 2.300 0.700 0.700 peak 856 spectrum 1 weight 0.10000E+01 volume 0.60065E-02 ppm1 6.817 ppm2 1.826 CV 1 OR { 856} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 117 and name HB2 )) ASSI { 857} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 118 and name HG1 )) 2.700 2.700 3.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.25841E-02 ppm1 6.814 ppm2 2.088 CV 1 ASSI { 858} (( segid "A " and resid 119 and name HN )) ( segid "A " and resid 119 and name HG2%) 2.200 2.200 3.800 peak 858 spectrum 1 weight 0.10000E+01 volume 0.77917E-02 ppm1 6.816 ppm2 1.182 CV 1 ASSI { 859} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HB1 )) 2.600 0.800 0.800 peak 859 spectrum 1 weight 0.10000E+01 volume 0.31660E-02 ppm1 7.955 ppm2 2.931 CV 1 ASSI { 860} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 120 and name HB2 )) 2.500 0.800 0.800 peak 860 spectrum 1 weight 0.10000E+01 volume 0.38170E-02 ppm1 7.954 ppm2 3.089 CV 1 ASSI { 861} (( segid "A " and resid 120 and name HN )) (( segid "A " and resid 118 and name HB1 )) 2.700 2.700 3.300 peak 861 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 7.953 ppm2 1.853 CV 1 ASSI { 863} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HB1 )) 3.100 1.200 1.200 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 8.546 ppm2 2.573 CV 1 ASSI { 864} (( segid "A " and resid 122 and name HN )) (( segid "A " and resid 121 and name HB2 )) 3.400 1.400 1.400 peak 864 spectrum 1 weight 0.10000E+01 volume 0.64207E-03 ppm1 8.546 ppm2 2.667 CV 1 ASSI { 865} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 120 and name HB1 )) 3.100 1.200 1.200 peak 865 spectrum 1 weight 0.10000E+01 volume 0.94392E-03 ppm1 6.965 ppm2 2.912 CV 1 ASSI { 866} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HB )) 2.400 0.700 0.700 peak 866 spectrum 1 weight 0.10000E+01 volume 0.51484E-02 ppm1 6.963 ppm2 2.291 CV 1 ASSI { 867} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 124 and name HB1 )) 4.600 2.700 1.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.92315E-04 ppm1 6.965 ppm2 1.533 CV 1 ASSI { 868} (( segid "A " and resid 123 and name HN )) ( segid "A " and resid 122 and name HG2%) 2.400 0.700 0.700 peak 868 spectrum 1 weight 0.10000E+01 volume 0.48723E-02 ppm1 6.961 ppm2 0.893 CV 1 ASSI { 869} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 120 and name HB2 )) 3.000 1.100 1.100 peak 869 spectrum 1 weight 0.10000E+01 volume 0.12032E-02 ppm1 6.963 ppm2 3.054 CV 1 ASSI { 870} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 123 and name HA )) 2.800 1.000 1.000 peak 870 spectrum 1 weight 0.10000E+01 volume 0.17260E-02 ppm1 6.964 ppm2 3.833 CV 1 ASSI { 872} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 120 and name HN )) 3.300 1.400 1.400 peak 872 spectrum 1 weight 0.10000E+01 volume 0.71703E-03 ppm1 6.965 ppm2 7.941 CV 1 ASSI { 873} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 125 and name HN )) 4.100 2.100 1.900 peak 873 spectrum 1 weight 0.10000E+01 volume 0.20219E-03 ppm1 6.955 ppm2 8.178 CV 1 ASSI { 874} (( segid "A " and resid 123 and name HN )) (( segid "A " and resid 121 and name HN )) 4.100 4.100 1.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.19627E-03 ppm1 6.970 ppm2 9.232 CV 1 ASSI { 875} (( segid "A " and resid 123 and name HN )) ( segid "A " and resid 123 and name HG1%) 4.000 2.000 2.000 peak 875 spectrum 1 weight 0.10000E+01 volume 0.22093E-03 ppm1 6.962 ppm2 1.182 CV 1 ASSI { 876} (( segid "A " and resid 123 and name HN )) ( segid "A " and resid 122 and name HD1%) 4.500 2.500 1.500 peak 876 spectrum 1 weight 0.10000E+01 volume 0.11343E-03 ppm1 6.966 ppm2 0.525 CV 1 ASSI { 877} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 125 and name HN )) 2.700 0.900 0.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.21008E-02 ppm1 7.208 ppm2 8.187 CV 1 ASSI { 878} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 120 and name HN )) 3.700 1.700 1.700 peak 878 spectrum 1 weight 0.10000E+01 volume 0.34915E-03 ppm1 7.211 ppm2 7.936 CV 1 ASSI { 879} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 123 and name HN )) 2.400 0.700 0.700 peak 879 spectrum 1 weight 0.10000E+01 volume 0.44580E-02 ppm1 7.207 ppm2 6.962 CV 1 ASSI { 880} (( segid "A " and resid 124 and name HN )) (( segid "A " and resid 120 and name HB1 )) 4.000 2.000 2.000 peak 880 spectrum 1 weight 0.10000E+01 volume 0.21797E-03 ppm1 7.202 ppm2 2.949 CV 1 ASSI { 881} (( segid "A " and resid 124 and name HN )) ( segid "A " and resid 122 and name HD1%) 5.400 3.600 0.600 peak 881 spectrum 1 weight 0.10000E+01 volume 0.36887E-04 ppm1 7.206 ppm2 0.548 CV 1 ASSI { 882} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 125 and name HB2 )) 2.800 1.000 1.000 peak 882 spectrum 1 weight 0.10000E+01 volume 0.18147E-02 ppm1 8.578 ppm2 2.221 CV 1 ASSI { 884} (( segid "A " and resid 127 and name HN )) ( segid "A " and resid 109 and name HE% ) 3.700 1.700 1.700 peak 884 spectrum 1 weight 0.10000E+01 volume 0.35408E-03 ppm1 8.930 ppm2 6.495 CV 1 ASSI { 885} (( segid "A " and resid 127 and name HN )) ( segid "A " and resid 113 and name HE% ) 2.700 2.700 3.300 peak 885 spectrum 1 weight 0.10000E+01 volume 0.21994E-02 ppm1 8.923 ppm2 6.982 CV 1 ASSI { 886} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 128 and name HN )) 2.600 0.900 0.900 peak 886 spectrum 1 weight 0.10000E+01 volume 0.26433E-02 ppm1 8.925 ppm2 7.603 CV 1 ASSI { 887} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 129 and name HN )) 3.800 1.800 1.800 peak 887 spectrum 1 weight 0.10000E+01 volume 0.30674E-03 ppm1 8.929 ppm2 7.869 CV 1 ASSI { 889} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 130 and name HN )) 4.200 2.200 1.800 peak 889 spectrum 1 weight 0.10000E+01 volume 0.16964E-03 ppm1 8.921 ppm2 9.139 CV 1 ASSI { 890} (( segid "A " and resid 127 and name HN )) ( segid "A " and resid 123 and name HG2%) 3.100 1.200 1.200 peak 890 spectrum 1 weight 0.10000E+01 volume 0.10455E-02 ppm1 8.925 ppm2 1.072 CV 1 ASSI { 891} (( segid "A " and resid 127 and name HN )) ( segid "A " and resid 124 and name HD2%) 3.300 3.300 2.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.75352E-03 ppm1 8.927 ppm2 0.879 CV 1 ASSI { 892} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 127 and name HB2 )) 2.500 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.33731E-02 ppm1 8.924 ppm2 2.286 CV 1 ASSI { 894} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 130 and name HN )) 3.700 1.700 1.700 peak 894 spectrum 1 weight 0.10000E+01 volume 0.37775E-03 ppm1 7.609 ppm2 9.122 CV 1 ASSI { 895} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 126 and name HN )) 4.600 2.600 1.400 peak 895 spectrum 1 weight 0.10000E+01 volume 0.97448E-04 ppm1 7.605 ppm2 8.596 CV 1 ASSI { 896} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 129 and name HN )) 2.600 0.800 0.800 peak 896 spectrum 1 weight 0.10000E+01 volume 0.31956E-02 ppm1 7.606 ppm2 7.856 CV 1 ASSI { 897} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 128 and name HA )) 2.300 0.600 0.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.67856E-02 ppm1 7.607 ppm2 4.191 CV 1 ASSI { 898} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 125 and name HA )) 2.800 1.000 1.000 peak 898 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 7.606 ppm2 3.755 CV 1 ASSI { 899} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 131 and name HE2 )) 3.800 3.800 2.200 peak 899 spectrum 1 weight 0.10000E+01 volume 0.30674E-03 ppm1 7.607 ppm2 2.885 CV 1 OR { 899} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 131 and name HE1 )) ASSI { 900} (( segid "A " and resid 128 and name HN )) (( segid "A " and resid 127 and name HB2 )) 2.600 0.800 0.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.31758E-02 ppm1 7.607 ppm2 2.293 CV 1 ASSI { 901} (( segid "A " and resid 128 and name HN )) ( segid "A " and resid 128 and name HB% ) 2.000 0.500 0.500 peak 901 spectrum 1 weight 0.10000E+01 volume 0.15584E-01 ppm1 7.606 ppm2 1.799 CV 1 ASSI { 902} (( segid "A " and resid 128 and name HN )) ( segid "A " and resid 124 and name HD2%) 3.600 1.600 1.600 peak 902 spectrum 1 weight 0.10000E+01 volume 0.45271E-03 ppm1 7.607 ppm2 0.900 CV 1 ASSI { 903} (( segid "A " and resid 127 and name HE22)) (( segid "A " and resid 127 and name HB2 )) 3.200 1.300 1.300 peak 903 spectrum 1 weight 0.10000E+01 volume 0.81271E-03 ppm1 6.767 ppm2 2.315 CV 1 ASSI { 904} (( segid "A " and resid 127 and name HE21)) ( segid "A " and resid 124 and name HD2%) 3.700 1.700 1.700 peak 904 spectrum 1 weight 0.10000E+01 volume 0.34422E-03 ppm1 7.381 ppm2 0.902 CV 1 ASSI { 905} (( segid "A " and resid 129 and name HN )) ( segid "A " and resid 109 and name HE% ) 3.400 1.500 1.500 peak 905 spectrum 1 weight 0.10000E+01 volume 0.55430E-03 ppm1 7.856 ppm2 6.485 CV 1 ASSI { 908} (( segid "A " and resid 129 and name HN )) ( segid "A " and resid 128 and name HB% ) 2.100 0.500 0.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11737E-01 ppm1 7.856 ppm2 1.819 CV 1 ASSI { 909} (( segid "A " and resid 129 and name HN )) (( segid "A " and resid 129 and name HB1 )) 3.000 1.200 1.200 peak 909 spectrum 1 weight 0.10000E+01 volume 0.11441E-02 ppm1 7.855 ppm2 1.423 CV 1 ASSI { 910} (( segid "A " and resid 129 and name HN )) ( segid "A " and resid 50 and name HD2%) 3.800 1.800 1.800 peak 910 spectrum 1 weight 0.10000E+01 volume 0.29096E-03 ppm1 7.860 ppm2 0.941 CV 1 ASSI { 911} (( segid "A " and resid 130 and name HN )) ( segid "A " and resid 113 and name HE% ) 3.400 3.400 2.600 peak 911 spectrum 1 weight 0.10000E+01 volume 0.56120E-03 ppm1 9.112 ppm2 6.971 CV 1 ASSI { 912} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HN )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.31068E-02 ppm1 9.111 ppm2 7.857 CV 1 ASSI { 913} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 126 and name HA )) 3.200 1.300 1.300 peak 913 spectrum 1 weight 0.10000E+01 volume 0.77523E-03 ppm1 9.110 ppm2 3.866 CV 1 ASSI { 914} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 129 and name HA )) 3.000 1.100 1.100 peak 914 spectrum 1 weight 0.10000E+01 volume 0.12427E-02 ppm1 9.105 ppm2 3.757 CV 1 ASSI { 915} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 127 and name HB2 )) 4.400 2.400 1.600 peak 915 spectrum 1 weight 0.10000E+01 volume 0.12131E-03 ppm1 9.114 ppm2 2.291 CV 1 ASSI { 916} (( segid "A " and resid 130 and name HN )) (( segid "A " and resid 130 and name HB2 )) 2.600 0.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.30772E-02 ppm1 9.109 ppm2 1.678 CV 1 ASSI { 917} (( segid "A " and resid 130 and name HN )) ( segid "A " and resid 50 and name HD2%) 3.200 1.300 1.300 peak 917 spectrum 1 weight 0.10000E+01 volume 0.82158E-03 ppm1 9.108 ppm2 0.937 CV 1 OR { 917} (( segid "A " and resid 130 and name HN )) ( segid "A " and resid 50 and name HD1%) ASSI { 918} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 128 and name HA )) 2.800 1.000 1.000 peak 918 spectrum 1 weight 0.10000E+01 volume 0.19627E-02 ppm1 7.573 ppm2 4.183 CV 1 ASSI { 919} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HA )) 2.400 0.700 0.700 peak 919 spectrum 1 weight 0.10000E+01 volume 0.52470E-02 ppm1 7.575 ppm2 3.921 CV 1 ASSI { 920} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 132 and name HA )) 3.600 1.600 1.600 peak 920 spectrum 1 weight 0.10000E+01 volume 0.44087E-03 ppm1 7.576 ppm2 3.793 CV 1 ASSI { 921} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 130 and name HA )) 4.300 2.300 1.700 peak 921 spectrum 1 weight 0.10000E+01 volume 0.14104E-03 ppm1 7.574 ppm2 3.201 CV 1 ASSI { 922} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HE2 )) 4.000 2.000 2.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.22586E-03 ppm1 7.571 ppm2 2.958 CV 1 OR { 922} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HE1 )) ASSI { 923} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 135 and name HB2 )) 4.900 3.000 1.100 peak 923 spectrum 1 weight 0.10000E+01 volume 0.67856E-04 ppm1 7.573 ppm2 2.274 CV 1 ASSI { 924} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HB1 )) 1.900 0.500 0.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.17161E-01 ppm1 7.576 ppm2 1.908 CV 1 ASSI { 925} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 131 and name HG1 )) 2.500 2.500 3.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.35506E-02 ppm1 7.575 ppm2 1.412 CV 1 ASSI { 926} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 134 and name HG )) 2.800 2.800 3.200 peak 926 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 7.574 ppm2 0.907 CV 1 ASSI { 927} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 130 and name HB1 )) 3.100 1.200 1.200 peak 927 spectrum 1 weight 0.10000E+01 volume 0.11244E-02 ppm1 7.576 ppm2 0.649 CV 1 ASSI { 928} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 132 and name HN )) 2.500 0.800 0.800 peak 928 spectrum 1 weight 0.10000E+01 volume 0.37380E-02 ppm1 7.577 ppm2 7.050 CV 1 ASSI { 929} (( segid "A " and resid 131 and name HN )) (( segid "A " and resid 130 and name HN )) 2.600 0.900 0.900 peak 929 spectrum 1 weight 0.10000E+01 volume 0.28800E-02 ppm1 7.574 ppm2 9.114 CV 1 ASSI { 930} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 133 and name HB2 )) 3.600 1.600 1.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.41918E-03 ppm1 7.052 ppm2 3.486 CV 1 ASSI { 931} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 133 and name HB1 )) 3.600 1.600 1.600 peak 931 spectrum 1 weight 0.10000E+01 volume 0.41326E-03 ppm1 7.041 ppm2 3.003 CV 1 ASSI { 932} (( segid "A " and resid 132 and name HN )) (( segid "A " and resid 135 and name HB2 )) 4.400 2.400 1.600 peak 932 spectrum 1 weight 0.10000E+01 volume 0.12624E-03 ppm1 7.047 ppm2 2.287 CV 1 ASSI { 935} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 131 and name HN )) 3.700 1.700 1.700 peak 935 spectrum 1 weight 0.10000E+01 volume 0.34619E-03 ppm1 8.752 ppm2 7.567 CV 1 ASSI { 936} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 130 and name HA )) 3.300 1.300 1.300 peak 936 spectrum 1 weight 0.10000E+01 volume 0.72887E-03 ppm1 8.743 ppm2 3.171 CV 1 ASSI { 937} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 132 and name HG12)) 3.600 1.600 1.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.42509E-03 ppm1 8.745 ppm2 1.693 CV 1 ASSI { 938} (( segid "A " and resid 133 and name HN )) (( segid "A " and resid 134 and name HB1 )) 3.300 3.300 2.700 peak 938 spectrum 1 weight 0.10000E+01 volume 0.75254E-03 ppm1 8.748 ppm2 1.335 CV 1 ASSI { 939} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HG1 )) 2.500 0.800 0.800 peak 939 spectrum 1 weight 0.10000E+01 volume 0.33534E-02 ppm1 7.774 ppm2 2.585 CV 1 OR { 939} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HG2 )) ASSI { 940} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 137 and name HG2%) 4.700 2.800 1.300 peak 940 spectrum 1 weight 0.10000E+01 volume 0.79199E-04 ppm1 7.775 ppm2 0.481 CV 1 ASSI { 941} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 137 and name HG1%) 5.100 3.200 0.900 peak 941 spectrum 1 weight 0.10000E+01 volume 0.53161E-04 ppm1 7.770 ppm2 0.665 CV 1 ASSI { 942} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 134 and name HB1 )) 2.500 2.500 3.500 peak 942 spectrum 1 weight 0.10000E+01 volume 0.33534E-02 ppm1 7.777 ppm2 1.389 CV 1 ASSI { 943} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 134 and name HD2%) 5.000 3.100 1.000 peak 943 spectrum 1 weight 0.10000E+01 volume 0.57008E-04 ppm1 7.774 ppm2 0.834 CV 1 ASSI { 944} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 136 and name HB1 )) 3.300 1.400 1.400 peak 944 spectrum 1 weight 0.10000E+01 volume 0.68646E-03 ppm1 7.773 ppm2 1.630 CV 1 ASSI { 945} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 134 and name HB2 )) 2.300 2.300 3.700 peak 945 spectrum 1 weight 0.10000E+01 volume 0.54344E-02 ppm1 7.775 ppm2 1.894 CV 1 ASSI { 946} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HB2 )) 2.400 0.700 0.700 peak 946 spectrum 1 weight 0.10000E+01 volume 0.51583E-02 ppm1 7.775 ppm2 2.310 CV 1 ASSI { 947} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HA )) 2.500 0.800 0.800 peak 947 spectrum 1 weight 0.10000E+01 volume 0.37677E-02 ppm1 7.775 ppm2 4.039 CV 1 ASSI { 948} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 138 and name HN )) 4.000 2.000 2.000 peak 948 spectrum 1 weight 0.10000E+01 volume 0.21699E-03 ppm1 7.771 ppm2 7.397 CV 1 ASSI { 949} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 136 and name HN )) 2.600 0.800 0.800 peak 949 spectrum 1 weight 0.10000E+01 volume 0.30476E-02 ppm1 7.775 ppm2 8.450 CV 1 ASSI { 950} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 137 and name HN )) 3.700 1.700 1.700 peak 950 spectrum 1 weight 0.10000E+01 volume 0.34027E-03 ppm1 7.774 ppm2 9.012 CV 1 ASSI { 951} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 135 and name HB1 )) 2.200 2.200 3.800 peak 951 spectrum 1 weight 0.10000E+01 volume 0.72000E-02 ppm1 7.775 ppm2 2.215 CV 1 ASSI { 952} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HA )) 3.400 1.400 1.400 peak 952 spectrum 1 weight 0.10000E+01 volume 0.62925E-03 ppm1 8.454 ppm2 4.275 CV 1 ASSI { 953} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HA )) 3.900 1.900 1.900 peak 953 spectrum 1 weight 0.10000E+01 volume 0.26433E-03 ppm1 8.451 ppm2 4.047 CV 1 ASSI { 954} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HE1 )) 5.000 3.200 1.000 peak 954 spectrum 1 weight 0.10000E+01 volume 0.55824E-04 ppm1 8.452 ppm2 2.867 CV 1 OR { 954} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HE2 )) ASSI { 955} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HG1 )) 3.500 1.500 1.500 peak 955 spectrum 1 weight 0.10000E+01 volume 0.53556E-03 ppm1 8.452 ppm2 2.583 CV 1 OR { 955} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 135 and name HG2 )) ASSI { 957} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 138 and name HN )) 3.400 1.500 1.500 peak 957 spectrum 1 weight 0.10000E+01 volume 0.55923E-03 ppm1 8.458 ppm2 7.417 CV 1 ASSI { 958} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 137 and name HN )) 2.800 1.000 1.000 peak 958 spectrum 1 weight 0.10000E+01 volume 0.18345E-02 ppm1 8.455 ppm2 9.013 CV 1 ASSI { 959} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HB1 )) 2.700 0.900 0.900 peak 959 spectrum 1 weight 0.10000E+01 volume 0.22586E-02 ppm1 8.455 ppm2 1.657 CV 1 ASSI { 960} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HG1 )) 2.800 1.000 1.000 peak 960 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 8.453 ppm2 1.249 CV 1 OR { 960} (( segid "A " and resid 136 and name HN )) (( segid "A " and resid 136 and name HG2 )) ASSI { 961} (( segid "A " and resid 136 and name HN )) ( segid "A " and resid 137 and name HG1%) 4.300 2.300 1.700 peak 961 spectrum 1 weight 0.10000E+01 volume 0.15386E-03 ppm1 8.454 ppm2 0.664 CV 1 ASSI { 962} (( segid "A " and resid 136 and name HN )) ( segid "A " and resid 137 and name HG2%) 4.400 2.400 1.600 peak 962 spectrum 1 weight 0.10000E+01 volume 0.12427E-03 ppm1 8.459 ppm2 0.462 CV 1 ASSI { 966} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 139 and name HN )) 3.900 1.900 1.900 peak 966 spectrum 1 weight 0.10000E+01 volume 0.26728E-03 ppm1 9.016 ppm2 6.843 CV 1 ASSI { 967} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HA )) 3.400 1.400 1.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.60065E-03 ppm1 9.016 ppm2 4.279 CV 1 ASSI { 968} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 135 and name HA )) 3.400 1.500 1.500 peak 968 spectrum 1 weight 0.10000E+01 volume 0.55134E-03 ppm1 9.016 ppm2 4.084 CV 1 ASSI { 969} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 135 and name HB2 )) 3.200 3.200 2.800 peak 969 spectrum 1 weight 0.10000E+01 volume 0.82059E-03 ppm1 9.012 ppm2 2.291 CV 1 ASSI { 970} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 137 and name HB )) 2.300 0.700 0.700 peak 970 spectrum 1 weight 0.10000E+01 volume 0.56218E-02 ppm1 9.012 ppm2 1.880 CV 1 ASSI { 971} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HG1 )) 3.700 1.700 1.700 peak 971 spectrum 1 weight 0.10000E+01 volume 0.34520E-03 ppm1 9.009 ppm2 1.258 CV 1 OR { 971} (( segid "A " and resid 137 and name HN )) (( segid "A " and resid 136 and name HG2 )) ASSI { 972} (( segid "A " and resid 137 and name HN )) ( segid "A " and resid 137 and name HG1%) 2.500 2.500 3.500 peak 972 spectrum 1 weight 0.10000E+01 volume 0.39254E-02 ppm1 9.013 ppm2 0.682 CV 1 ASSI { 973} (( segid "A " and resid 137 and name HN )) ( segid "A " and resid 137 and name HG2%) 2.300 0.700 0.700 peak 973 spectrum 1 weight 0.10000E+01 volume 0.61347E-02 ppm1 9.012 ppm2 0.465 CV 1 ASSI { 974} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HN )) 2.400 0.700 0.700 peak 974 spectrum 1 weight 0.10000E+01 volume 0.48328E-02 ppm1 7.397 ppm2 9.012 CV 1 ASSI { 977} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 139 and name HN )) 2.500 0.800 0.800 peak 977 spectrum 1 weight 0.10000E+01 volume 0.36493E-02 ppm1 7.397 ppm2 6.851 CV 1 ASSI { 979} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 134 and name HN )) 4.300 2.400 1.700 peak 979 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 7.388 ppm2 8.741 CV 1 ASSI { 980} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 139 and name HA )) 3.500 1.600 1.600 peak 980 spectrum 1 weight 0.10000E+01 volume 0.46454E-03 ppm1 7.398 ppm2 4.344 CV 1 ASSI { 981} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 138 and name HA )) 2.200 0.600 0.600 peak 981 spectrum 1 weight 0.10000E+01 volume 0.72196E-02 ppm1 7.395 ppm2 4.134 CV 1 ASSI { 982} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 137 and name HB )) 2.500 0.800 0.800 peak 982 spectrum 1 weight 0.10000E+01 volume 0.35408E-02 ppm1 7.394 ppm2 1.887 CV 1 ASSI { 983} (( segid "A " and resid 138 and name HN )) (( segid "A " and resid 139 and name HG2 )) 3.100 1.200 1.200 peak 983 spectrum 1 weight 0.10000E+01 volume 0.97744E-03 ppm1 7.395 ppm2 2.341 CV 1 ASSI { 984} (( segid "A " and resid 138 and name HN )) ( segid "A " and resid 138 and name HB% ) 1.900 0.500 0.500 peak 984 spectrum 1 weight 0.10000E+01 volume 0.16767E-01 ppm1 7.395 ppm2 1.501 CV 1 ASSI { 985} (( segid "A " and resid 138 and name HN )) ( segid "A " and resid 137 and name HG1%) 2.700 0.900 0.900 peak 985 spectrum 1 weight 0.10000E+01 volume 0.22192E-02 ppm1 7.397 ppm2 0.683 CV 1 ASSI { 986} (( segid "A " and resid 138 and name HN )) ( segid "A " and resid 137 and name HG2%) 2.700 2.700 3.300 peak 986 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 7.395 ppm2 0.466 CV 1 ASSI { 987} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 139 and name HA )) 2.400 0.700 0.700 peak 987 spectrum 1 weight 0.10000E+01 volume 0.50794E-02 ppm1 6.853 ppm2 4.362 CV 1 ASSI { 988} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 138 and name HA )) 2.700 0.900 0.900 peak 988 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 6.856 ppm2 4.152 CV 1 ASSI { 989} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 137 and name HA )) 3.700 1.700 1.700 peak 989 spectrum 1 weight 0.10000E+01 volume 0.35999E-03 ppm1 6.862 ppm2 3.692 CV 1 ASSI { 990} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 140 and name HA )) 3.300 1.400 1.400 peak 990 spectrum 1 weight 0.10000E+01 volume 0.69829E-03 ppm1 6.855 ppm2 2.797 CV 1 ASSI { 991} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 139 and name HB2 )) 2.500 2.500 3.500 peak 991 spectrum 1 weight 0.10000E+01 volume 0.34422E-02 ppm1 6.854 ppm2 2.390 CV 1 ASSI { 992} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 46 and name HG1%) 6.000 4.700 0.000 peak 992 spectrum 1 weight 0.10000E+01 volume 0.17161E-04 ppm1 6.854 ppm2 0.960 CV 1 ASSI { 993} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 137 and name HG1%) 4.500 2.600 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10257E-03 ppm1 6.845 ppm2 0.675 CV 1 ASSI { 994} (( segid "A " and resid 139 and name HN )) ( segid "A " and resid 41 and name HE% ) 4.900 3.000 1.100 peak 994 spectrum 1 weight 0.10000E+01 volume 0.65786E-04 ppm1 6.853 ppm2 6.608 CV 1 ASSI { 995} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 140 and name HN )) 2.500 0.800 0.800 peak 995 spectrum 1 weight 0.10000E+01 volume 0.36690E-02 ppm1 6.850 ppm2 7.062 CV 1 ASSI { 997} (( segid "A " and resid 139 and name HE21)) ( segid "A " and resid 138 and name HB% ) 3.700 1.700 1.700 peak 997 spectrum 1 weight 0.10000E+01 volume 0.34224E-03 ppm1 7.446 ppm2 1.494 CV 1 ASSI { 998} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 137 and name HN )) 3.400 1.500 1.500 peak 998 spectrum 1 weight 0.10000E+01 volume 0.55035E-03 ppm1 7.049 ppm2 9.014 CV 1 ASSI { 999} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 138 and name HN )) 3.100 1.200 1.200 peak 999 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 7.050 ppm2 7.400 CV 1 ASSI { 1001} (( segid "A " and resid 140 and name HN )) ( segid "A " and resid 41 and name HE% ) 3.500 1.500 1.500 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.47934E-03 ppm1 7.053 ppm2 6.624 CV 1 ASSI { 1002} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 139 and name HA )) 2.500 0.800 0.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.34323E-02 ppm1 7.055 ppm2 4.362 CV 1 ASSI { 1003} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 138 and name HA )) 3.100 1.200 1.200 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.10652E-02 ppm1 7.054 ppm2 4.151 CV 1 ASSI { 1004} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 137 and name HA )) 2.800 1.000 1.000 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.18937E-02 ppm1 7.059 ppm2 3.682 CV 1 ASSI { 1005} (( segid "A " and resid 140 and name HN )) (( segid "A " and resid 140 and name HG1 )) 2.800 1.000 1.000 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.19233E-02 ppm1 7.054 ppm2 2.579 CV 1 ASSI { 1006} (( segid "A " and resid 140 and name HN )) ( segid "A " and resid 46 and name HG1%) 3.700 1.800 1.800 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.32745E-03 ppm1 7.055 ppm2 0.982 CV 1 ASSI { 1007} (( segid "A " and resid 140 and name HN )) ( segid "A " and resid 137 and name HG1%) 3.500 1.500 1.500 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.48131E-03 ppm1 7.054 ppm2 0.689 CV 1 ASSI { 1008} (( segid "A " and resid 140 and name HN )) ( segid "A " and resid 137 and name HG2%) 3.700 1.700 1.700 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.36690E-03 ppm1 7.050 ppm2 0.462 CV 1 ASSI { 1010} (( segid "A " and resid 142 and name HE21)) (( segid "A " and resid 142 and name HA )) 2.700 0.900 0.900 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.24854E-02 ppm1 7.535 ppm2 3.796 CV 1 ASSI { 1011} (( segid "A " and resid 142 and name HE21)) (( segid "A " and resid 142 and name HG2 )) 2.400 0.700 0.700 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.45468E-02 ppm1 7.534 ppm2 2.401 CV 1 ASSI { 1012} (( segid "A " and resid 142 and name HE21)) (( segid "A " and resid 142 and name HB1 )) 3.300 1.300 1.300 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.76043E-03 ppm1 7.539 ppm2 1.941 CV 1 ASSI { 1013} (( segid "A " and resid 142 and name HE22)) (( segid "A " and resid 142 and name HB1 )) 3.200 1.200 1.200 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.90936E-03 ppm1 6.903 ppm2 1.950 CV 1 ASSI { 1014} (( segid "A " and resid 142 and name HE22)) (( segid "A " and resid 142 and name HG2 )) 2.700 0.900 0.900 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.21107E-02 ppm1 6.900 ppm2 2.407 CV 1 OR { 1014} (( segid "A " and resid 142 and name HE22)) (( segid "A " and resid 142 and name HG1 )) ASSI { 1015} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 144 and name HN )) 2.900 1.100 1.100 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.14400E-02 ppm1 7.915 ppm2 8.847 CV 1 ASSI { 1016} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 142 and name HN )) 2.300 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.63517E-02 ppm1 7.911 ppm2 8.506 CV 1 ASSI { 1017} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 38 and name HE21)) 3.300 1.400 1.400 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.68448E-03 ppm1 7.914 ppm2 7.480 CV 1 ASSI { 1018} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 37 and name HD22)) 4.900 3.000 1.100 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.63024E-04 ppm1 7.903 ppm2 6.808 CV 1 ASSI { 1019} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 141 and name HA )) 2.900 1.000 1.000 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.16570E-02 ppm1 7.910 ppm2 4.259 CV 1 ASSI { 1020} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 142 and name HA )) 2.400 2.400 3.600 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.42016E-02 ppm1 7.910 ppm2 3.837 CV 1 ASSI { 1021} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 143 and name HG1 )) 3.200 1.300 1.300 peak 1021 spectrum 1 weight 0.10000E+01 volume 0.88865E-03 ppm1 7.915 ppm2 2.190 CV 1 ASSI { 1022} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 143 and name HB2 )) 2.000 0.500 0.500 peak 1022 spectrum 1 weight 0.10000E+01 volume 0.14597E-01 ppm1 7.911 ppm2 1.891 CV 1 ASSI { 1023} (( segid "A " and resid 143 and name HN )) ( segid "A " and resid 145 and name HG2%) 3.700 1.700 1.700 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.36789E-03 ppm1 7.906 ppm2 0.827 CV 1 ASSI { 1024} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 143 and name HB1 )) 2.800 1.000 1.000 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 7.910 ppm2 1.802 CV 1 ASSI { 1025} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 143 and name HG2 )) 2.100 0.600 0.600 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.96359E-02 ppm1 7.911 ppm2 2.077 CV 1 ASSI { 1026} (( segid "A " and resid 143 and name HN )) (( segid "A " and resid 144 and name HA )) 3.800 1.800 1.800 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.28997E-03 ppm1 7.916 ppm2 4.887 CV 1 ASSI { 1028} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 38 and name HE21)) 3.400 1.400 1.400 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.59079E-03 ppm1 8.846 ppm2 7.446 CV 1 ASSI { 1029} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 144 and name HA )) 2.900 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.15189E-02 ppm1 8.843 ppm2 4.873 CV 1 ASSI { 1030} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 141 and name HB2 )) 3.600 1.600 1.600 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.40240E-03 ppm1 8.837 ppm2 2.386 CV 1 ASSI { 1031} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 143 and name HB2 )) 2.000 0.500 0.500 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.13512E-01 ppm1 8.843 ppm2 1.900 CV 1 ASSI { 1032} (( segid "A " and resid 144 and name HN )) ( segid "A " and resid 145 and name HG2%) 3.400 1.400 1.400 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.59079E-03 ppm1 8.842 ppm2 0.845 CV 1 ASSI { 1033} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 143 and name HB1 )) 3.900 3.900 2.100 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.25052E-03 ppm1 8.840 ppm2 1.772 CV 1 ASSI { 1034} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 37 and name HB1 )) 4.400 2.400 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.13118E-03 ppm1 8.777 ppm2 3.121 CV 1 ASSI { 1035} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 141 and name HB2 )) 3.400 1.400 1.400 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.58684E-03 ppm1 8.769 ppm2 2.367 CV 1 ASSI { 1036} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 144 and name HB2 )) 2.600 2.600 3.400 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.28109E-02 ppm1 8.770 ppm2 1.778 CV 1 ASSI { 1037} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 147 and name HG )) 3.100 3.100 2.900 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.98528E-03 ppm1 8.771 ppm2 1.392 CV 1 ASSI { 1038} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 145 and name HA )) 2.600 0.800 0.800 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.32646E-02 ppm1 8.771 ppm2 4.421 CV 1 ASSI { 1039} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 144 and name HA )) 2.400 0.700 0.700 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.44580E-02 ppm1 8.768 ppm2 4.882 CV 1 ASSI { 1040} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 36 and name HA )) 5.400 3.600 0.600 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.38465E-04 ppm1 8.779 ppm2 5.415 CV 1 ASSI { 1041} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 38 and name HN )) 2.800 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.18345E-02 ppm1 8.767 ppm2 7.996 CV 1 ASSI { 1042} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 39 and name HN )) 3.700 3.700 2.300 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.37775E-03 ppm1 8.767 ppm2 8.402 CV 1 ASSI { 1043} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 37 and name HN )) 3.000 1.100 1.100 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.12920E-02 ppm1 8.765 ppm2 9.502 CV 1 ASSI { 1044} (( segid "A " and resid 145 and name HN )) (( segid "A " and resid 38 and name HA )) 4.600 2.600 1.400 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.97245E-04 ppm1 8.773 ppm2 3.907 CV 1 ASSI { 1045} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 37 and name HN )) 3.400 1.400 1.400 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.58487E-03 ppm1 7.799 ppm2 9.500 CV 1 ASSI { 1046} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HN )) 3.700 1.700 1.700 peak 1046 spectrum 1 weight 0.10000E+01 volume 0.34816E-03 ppm1 7.800 ppm2 8.694 CV 1 ASSI { 1047} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 35 and name HN )) 4.200 2.200 1.800 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.17063E-03 ppm1 7.794 ppm2 8.340 CV 1 ASSI { 1048} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 36 and name HN )) 3.300 1.400 1.400 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.71111E-03 ppm1 7.806 ppm2 7.076 CV 1 ASSI { 1049} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 36 and name HA )) 2.600 0.800 0.800 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.31857E-02 ppm1 7.799 ppm2 5.411 CV 1 ASSI { 1050} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 36 and name HB )) 3.300 1.400 1.400 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.71013E-03 ppm1 7.800 ppm2 4.564 CV 1 ASSI { 1051} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 37 and name HB1 )) 6.000 5.900 0.000 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.85708E-05 ppm1 7.798 ppm2 3.080 CV 1 ASSI { 1052} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HG2 )) 2.700 0.900 0.900 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.21205E-02 ppm1 7.800 ppm2 2.453 CV 1 ASSI { 1053} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HG1 )) 2.500 0.800 0.800 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.36591E-02 ppm1 7.798 ppm2 2.365 CV 1 ASSI { 1054} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HB1 )) 2.800 1.000 1.000 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.18641E-02 ppm1 7.798 ppm2 1.826 CV 1 ASSI { 1055} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HB2 )) 2.700 2.700 3.300 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.22882E-02 ppm1 7.799 ppm2 1.969 CV 1 ASSI { 1056} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 147 and name HB1 )) 2.500 2.500 3.500 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.39156E-02 ppm1 7.799 ppm2 1.526 CV 1 ASSI { 1057} (( segid "A " and resid 147 and name HN )) ( segid "A " and resid 147 and name HD2%) 2.200 2.200 3.800 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.90147E-02 ppm1 7.799 ppm2 0.798 CV 1 ASSI { 1058} (( segid "A " and resid 147 and name HN )) (( segid "A " and resid 146 and name HA )) 2.400 0.700 0.700 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.53063E-02 ppm1 7.800 ppm2 4.319 CV 1 ASSI { 1059} (( segid "A " and resid 37 and name HN )) (( segid "A " and resid 37 and name HB1 )) 2.900 1.100 1.100 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.13906E-02 ppm1 9.513 ppm2 3.110 CV 1 ASSI { 1060} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 117 and name HG2 )) 3.200 1.300 1.300 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.85807E-03 ppm1 6.815 ppm2 1.578 CV 1 OR { 1060} (( segid "A " and resid 119 and name HN )) (( segid "A " and resid 117 and name HG1 )) ASSI { 1061} (( segid "A " and resid 116 and name HN )) (( segid "A " and resid 116 and name HD21)) 3.100 1.200 1.200 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.97744E-03 ppm1 7.446 ppm2 8.777 CV 1 ASSI { 1062} (( segid "A " and resid 59 and name HN )) ( segid "A " and resid 129 and name HD2%) 3.300 3.300 2.700 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.67856E-03 ppm1 8.146 ppm2 0.625 CV 1 ASSI { 1063} (( segid "A " and resid 130 and name HN )) ( segid "A " and resid 109 and name HE% ) 2.900 1.000 1.000 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 9.098 ppm2 6.469 CV 1 ASSI { 1064} (( segid "A " and resid 109 and name HN )) (( segid "A " and resid 107 and name HN )) 3.900 3.900 2.100 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.26531E-03 ppm1 8.081 ppm2 8.980 CV 1 ASSI { 1065} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 112 and name HG )) 2.600 2.600 3.400 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.31758E-02 ppm1 8.926 ppm2 2.888 CV 1 ASSI { 1066} (( segid "A " and resid 56 and name HN )) ( segid "A " and resid 83 and name HE% ) 3.100 3.100 2.900 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.11145E-02 ppm1 7.849 ppm2 2.043 CV 1 ASSI { 1067} (( segid "A " and resid 90 and name HN )) (( segid "A " and resid 89 and name HB2 )) 2.300 0.700 0.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.54936E-02 ppm1 8.522 ppm2 2.203 CV 1 ASSI { 1068} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 52 and name HB1 )) 2.000 2.000 4.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.14203E-01 ppm1 8.543 ppm2 2.012 CV 1 OR { 1068} (( segid "A " and resid 54 and name HN )) (( segid "A " and resid 52 and name HB2 )) ASSI { 1069} (( segid "A " and resid 126 and name HN )) (( segid "A " and resid 112 and name HG )) 4.600 2.700 1.400 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.94688E-04 ppm1 8.578 ppm2 2.843 CV 1 ASSI { 1070} (( segid "A " and resid 82 and name HN )) (( segid "A " and resid 104 and name HB2 )) 2.800 2.800 3.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 7.424 ppm2 2.927 CV 1 ASSI { 1071} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 125 and name HG1 )) 2.900 2.900 3.100 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.16372E-02 ppm1 8.924 ppm2 2.346 CV 1 OR { 1071} (( segid "A " and resid 127 and name HN )) (( segid "A " and resid 125 and name HG2 )) ASSI { 1072} (( segid "A " and resid 63 and name HN )) (( segid "A " and resid 82 and name HN )) 4.400 2.400 1.600 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.13216E-03 ppm1 8.610 ppm2 7.446 CV 1 ASSI { 1073} (( segid "A " and resid 60 and name HN )) (( segid "A " and resid 82 and name HB2 )) 6.000 6.000 0.000 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.72690E-05 ppm1 7.188 ppm2 2.528 CV 1 ASSI { 1074} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HB2 )) 2.800 1.000 1.000 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.17556E-02 ppm1 8.949 ppm2 2.514 CV 1 ASSI { 1075} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HG1 )) 3.100 1.200 1.200 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.10257E-02 ppm1 8.950 ppm2 2.783 CV 1 OR { 1075} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HG2 )) ASSI { 1076} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 85 and name HA )) 4.300 2.300 1.700 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.14696E-03 ppm1 8.950 ppm2 3.705 CV 1 ASSI { 1077} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HA )) 3.100 1.200 1.200 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.10849E-02 ppm1 8.949 ppm2 3.913 CV 1 ASSI { 1078} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 84 and name HA2 )) 3.800 1.800 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.29786E-03 ppm1 8.954 ppm2 4.388 CV 1 ASSI { 1079} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 60 and name HA )) 3.700 1.800 1.800 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.33041E-03 ppm1 8.954 ppm2 4.189 CV 1 ASSI { 1080} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 86 and name HN )) 3.700 1.700 1.700 peak 1080 spectrum 1 weight 0.10000E+01 volume 0.36098E-03 ppm1 8.951 ppm2 7.194 CV 1 ASSI { 1081} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 84 and name HN )) 2.900 1.100 1.100 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.14302E-02 ppm1 8.946 ppm2 8.659 CV 1 ASSI { 1082} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 82 and name HN )) 5.000 3.200 1.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.55134E-04 ppm1 8.957 ppm2 7.425 CV 1 ASSI { 1083} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 83 and name HB2 )) 2.800 1.000 1.000 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.17161E-02 ppm1 8.952 ppm2 2.310 CV 1 ASSI { 1084} (( segid "A " and resid 83 and name HN )) ( segid "A " and resid 60 and name HD% ) 4.200 2.200 1.800 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.16767E-03 ppm1 8.951 ppm2 6.251 CV 1 ASSI { 1085} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 51 and name HZ3 )) 4.300 2.300 1.700 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.14794E-03 ppm1 8.954 ppm2 6.801 CV 1 ASSI { 1086} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 61 and name HA )) 6.000 4.600 0.000 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.18641E-04 ppm1 8.694 ppm2 5.058 CV 1 ASSI { 1087} (( segid "A " and resid 84 and name HN )) (( segid "A " and resid 81 and name HA )) 4.500 2.600 1.500 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.10455E-03 ppm1 8.693 ppm2 4.998 CV 1 ASSI { 1088} (( segid "A " and resid 84 and name HN )) ( segid "A " and resid 60 and name HD% ) 2.800 2.800 3.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.20712E-02 ppm1 8.696 ppm2 6.224 CV 1 ASSI { 1089} (( segid "A " and resid 135 and name HN )) (( segid "A " and resid 134 and name HG )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.48526E-02 ppm1 7.774 ppm2 0.898 CV 1 ASSI { 1090} (( segid "A " and resid 135 and name HN )) ( segid "A " and resid 132 and name HG2%) 3.800 1.800 1.800 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.31857E-03 ppm1 7.775 ppm2 0.945 CV 1 ASSI { 1091} (( segid "A " and resid 66 and name HN )) ( segid "A " and resid 65 and name HB% ) 3.100 1.200 1.200 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.93996E-03 ppm1 7.989 ppm2 1.548 CV 1 ASSI { 1092} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 25 and name HB2 )) 2.800 1.000 1.000 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.20613E-02 ppm1 8.662 ppm2 2.093 CV 1 ASSI { 1093} (( segid "A " and resid 25 and name HN )) (( segid "A " and resid 26 and name HB )) 4.000 2.000 2.000 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.23079E-03 ppm1 8.661 ppm2 2.067 CV 1 ASSI { 1094} (( segid "A " and resid 139 and name HN )) (( segid "A " and resid 139 and name HG1 )) 2.400 0.700 0.700 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.52076E-02 ppm1 6.854 ppm2 2.440 CV 1 ASSI { 1095} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 61 and name HA )) 6.000 6.000 0.000 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.45074E-05 ppm1 8.949 ppm2 5.008 CV 1 ASSI { 1096} (( segid "A " and resid 144 and name HN )) (( segid "A " and resid 145 and name HA )) 2.600 2.600 3.400 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.27024E-02 ppm1 8.842 ppm2 4.445 CV 1 ASSI { 1097} (( segid "A " and resid 31 and name HN )) (( segid "A " and resid 29 and name HB1 )) 3.200 3.200 2.800 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.84722E-03 ppm1 7.889 ppm2 2.011 CV 1 ASSI { 1098} (( segid "A " and resid 83 and name HN )) (( segid "A " and resid 59 and name HB2 )) 3.900 3.900 2.100 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.25348E-03 ppm1 8.951 ppm2 3.641 CV 1 ASSI { 1} ( segid "A " and resid 36 and name HG2%) (( segid "A " and resid 36 and name HA )) 2.300 0.700 0.700 peak 1 spectrum 1 weight 0.10000E+01 volume 0.54951E-02 ppm1 0.823 ppm2 5.406 CV 1 ASSI { 2} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HG2 )) 2.900 1.100 1.100 peak 2 spectrum 1 weight 0.10000E+01 volume 0.14578E-02 ppm1 4.155 ppm2 1.930 CV 1 ASSI { 3} ( segid "A " and resid 102 and name HE% ) ( segid "A " and resid 41 and name HE% ) 4.000 2.000 2.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.22368E-03 ppm1 1.927 ppm2 6.615 CV 1 ASSI { 4} ( segid "A " and resid 102 and name HE% ) (( segid "A " and resid 140 and name HN )) 2.900 2.900 3.100 peak 4 spectrum 1 weight 0.10000E+01 volume 0.14611E-02 ppm1 1.929 ppm2 7.104 CV 1 ASSI { 5} ( segid "A " and resid 81 and name HE% ) (( segid "A " and resid 81 and name HA )) 2.100 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.10602E-01 ppm1 1.993 ppm2 5.000 CV 1 ASSI { 6} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HG12)) 2.400 0.700 0.700 peak 6 spectrum 1 weight 0.10000E+01 volume 0.52365E-02 ppm1 0.513 ppm2 1.344 CV 1 ASSI { 7} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HB )) 2.300 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.57860E-02 ppm1 0.513 ppm2 1.795 CV 1 ASSI { 8} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 122 and name HA )) 2.400 0.700 0.700 peak 8 spectrum 1 weight 0.10000E+01 volume 0.42344E-02 ppm1 0.514 ppm2 4.149 CV 1 ASSI { 9} ( segid "A " and resid 122 and name HD1%) (( segid "A " and resid 59 and name HB2 )) 3.500 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.47517E-03 ppm1 0.511 ppm2 3.679 CV 1 ASSI { 10} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 87 and name HG2 )) 2.800 0.900 0.900 peak 10 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 3.882 ppm2 1.197 CV 1 OR { 10} (( segid "A " and resid 87 and name HA )) (( segid "A " and resid 87 and name HG1 )) ASSI { 11} (( segid "A " and resid 53 and name HA )) (( segid "A " and resid 53 and name HD2 )) 2.400 0.700 0.700 peak 11 spectrum 1 weight 0.10000E+01 volume 0.50749E-02 ppm1 4.118 ppm2 7.036 CV 1 ASSI { 12} (( segid "A " and resid 41 and name HB2 )) ( segid "A " and resid 41 and name HD% ) 3.300 1.400 1.400 peak 12 spectrum 1 weight 0.10000E+01 volume 0.68527E-03 ppm1 3.433 ppm2 7.115 CV 1 ASSI { 14} (( segid "A " and resid 57 and name HB1 )) (( segid "A " and resid 57 and name HB2 )) 4.100 4.100 1.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.19750E-03 ppm1 3.209 ppm2 2.895 CV 1 ASSI { 15} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HN )) 3.100 1.200 1.200 peak 15 spectrum 1 weight 0.10000E+01 volume 0.10570E-02 ppm1 3.472 ppm2 8.194 CV 1 ASSI { 16} (( segid "A " and resid 105 and name HA )) ( segid "A " and resid 105 and name HD% ) 2.800 1.000 1.000 peak 16 spectrum 1 weight 0.10000E+01 volume 0.18360E-02 ppm1 3.469 ppm2 6.866 CV 1 ASSI { 17} (( segid "A " and resid 60 and name HA )) ( segid "A " and resid 60 and name HD% ) 2.300 0.700 0.700 peak 17 spectrum 1 weight 0.10000E+01 volume 0.59476E-02 ppm1 4.211 ppm2 6.236 CV 1 ASSI { 18} (( segid "A " and resid 60 and name HA )) (( segid "A " and resid 59 and name HN )) 4.600 2.600 1.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.10085E-03 ppm1 4.200 ppm2 8.161 CV 1 ASSI { 19} (( segid "A " and resid 115 and name HA )) ( segid "A " and resid 115 and name HD% ) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.53011E-02 ppm1 4.026 ppm2 6.946 CV 1 ASSI { 20} (( segid "A " and resid 113 and name HA )) ( segid "A " and resid 113 and name HD% ) 2.200 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.88244E-02 ppm1 4.798 ppm2 7.039 CV 1 ASSI { 21} (( segid "A " and resid 94 and name HA )) ( segid "A " and resid 94 and name HD% ) 2.500 0.800 0.800 peak 21 spectrum 1 weight 0.10000E+01 volume 0.37819E-02 ppm1 4.066 ppm2 6.353 CV 1 ASSI { 22} (( segid "A " and resid 95 and name HA )) ( segid "A " and resid 95 and name HD% ) 2.700 0.900 0.900 peak 22 spectrum 1 weight 0.10000E+01 volume 0.22691E-02 ppm1 4.522 ppm2 7.619 CV 1 ASSI { 23} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HA )) 3.100 1.200 1.200 peak 23 spectrum 1 weight 0.10000E+01 volume 0.10053E-02 ppm1 3.337 ppm2 4.507 CV 1 ASSI { 24} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HD2 )) 3.900 1.900 1.900 peak 24 spectrum 1 weight 0.10000E+01 volume 0.27476E-03 ppm1 3.336 ppm2 7.151 CV 1 ASSI { 25} (( segid "A " and resid 116 and name HB1 )) (( segid "A " and resid 116 and name HA )) 3.800 1.800 1.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.28251E-03 ppm1 2.824 ppm2 4.703 CV 1 OR { 25} (( segid "A " and resid 116 and name HB2 )) (( segid "A " and resid 116 and name HA )) ASSI { 26} (( segid "A " and resid 112 and name HB2 )) (( segid "A " and resid 112 and name HA )) 3.300 1.400 1.400 peak 26 spectrum 1 weight 0.10000E+01 volume 0.65295E-03 ppm1 3.176 ppm2 4.175 CV 1 ASSI { 27} ( segid "A " and resid 42 and name HE% ) (( segid "A " and resid 42 and name HN )) 3.300 1.300 1.300 peak 27 spectrum 1 weight 0.10000E+01 volume 0.73375E-03 ppm1 2.189 ppm2 8.886 CV 1 ASSI { 28} (( segid "A " and resid 32 and name HG2 )) (( segid "A " and resid 32 and name HD2 )) 2.200 0.600 0.600 peak 28 spectrum 1 weight 0.10000E+01 volume 0.70143E-02 ppm1 1.985 ppm2 3.490 CV 1 OR { 28} (( segid "A " and resid 32 and name HG1 )) (( segid "A " and resid 32 and name HD2 )) ASSI { 29} (( segid "A " and resid 22 and name HA )) (( segid "A " and resid 22 and name HB2 )) 2.400 0.700 0.700 peak 29 spectrum 1 weight 0.10000E+01 volume 0.53011E-02 ppm1 4.351 ppm2 1.569 CV 1 ASSI { 32} (( segid "A " and resid 22 and name HB1 )) (( segid "A " and resid 22 and name HA )) 2.600 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.30966E-02 ppm1 1.672 ppm2 4.356 CV 1 ASSI { 33} (( segid "A " and resid 70 and name HB1 )) (( segid "A " and resid 73 and name HB1 )) 2.600 0.800 0.800 peak 33 spectrum 1 weight 0.10000E+01 volume 0.30126E-02 ppm1 1.672 ppm2 2.383 CV 1 ASSI { 34} (( segid "A " and resid 24 and name HA )) (( segid "A " and resid 24 and name HB1 )) 1.800 0.400 0.400 peak 34 spectrum 1 weight 0.10000E+01 volume 0.25278E-01 ppm1 4.459 ppm2 3.796 CV 1 ASSI { 35} (( segid "A " and resid 90 and name HA )) ( segid "A " and resid 39 and name HD1%) 3.300 1.400 1.400 peak 35 spectrum 1 weight 0.10000E+01 volume 0.66911E-03 ppm1 4.459 ppm2 0.866 CV 1 ASSI { 36} (( segid "A " and resid 136 and name HA )) (( segid "A " and resid 135 and name HG2 )) 3.600 3.600 2.400 peak 36 spectrum 1 weight 0.10000E+01 volume 0.38789E-03 ppm1 4.314 ppm2 2.635 CV 1 OR { 36} (( segid "A " and resid 136 and name HA )) (( segid "A " and resid 135 and name HG1 )) ASSI { 37} (( segid "A " and resid 146 and name HA )) (( segid "A " and resid 146 and name HG1 )) 2.200 0.600 0.600 peak 37 spectrum 1 weight 0.10000E+01 volume 0.79194E-02 ppm1 4.314 ppm2 2.372 CV 1 ASSI { 38} (( segid "A " and resid 146 and name HA )) (( segid "A " and resid 35 and name HN )) 4.600 2.600 1.400 peak 38 spectrum 1 weight 0.10000E+01 volume 0.96645E-04 ppm1 4.309 ppm2 8.335 CV 1 ASSI { 39} (( segid "A " and resid 25 and name HB2 )) (( segid "A " and resid 25 and name HA )) 2.600 0.800 0.800 peak 39 spectrum 1 weight 0.10000E+01 volume 0.29965E-02 ppm1 2.100 ppm2 4.305 CV 1 ASSI { 40} (( segid "A " and resid 25 and name HB2 )) (( segid "A " and resid 25 and name HB1 )) 1.900 0.500 0.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.19201E-01 ppm1 2.098 ppm2 2.041 CV 1 ASSI { 41} (( segid "A " and resid 25 and name HB1 )) (( segid "A " and resid 27 and name HB2 )) 5.500 3.800 0.500 peak 41 spectrum 1 weight 0.10000E+01 volume 0.31645E-04 ppm1 2.024 ppm2 3.740 CV 1 OR { 41} (( segid "A " and resid 25 and name HB1 )) (( segid "A " and resid 27 and name HB1 )) ASSI { 42} (( segid "A " and resid 25 and name HG1 )) (( segid "A " and resid 25 and name HA )) 2.600 0.800 0.800 peak 42 spectrum 1 weight 0.10000E+01 volume 0.30999E-02 ppm1 2.280 ppm2 4.272 CV 1 OR { 42} (( segid "A " and resid 25 and name HG2 )) (( segid "A " and resid 25 and name HA )) ASSI { 44} (( segid "A " and resid 26 and name HB )) ( segid "A " and resid 26 and name HG2%) 1.800 0.400 0.400 peak 44 spectrum 1 weight 0.10000E+01 volume 0.30546E-01 ppm1 2.080 ppm2 0.872 CV 1 OR { 44} (( segid "A " and resid 26 and name HB )) ( segid "A " and resid 26 and name HG1%) ASSI { 45} (( segid "A " and resid 58 and name HA )) ( segid "A " and resid 60 and name HD% ) 5.000 5.000 1.000 peak 45 spectrum 1 weight 0.10000E+01 volume 0.61416E-04 ppm1 3.780 ppm2 6.216 CV 1 ASSI { 46} (( segid "A " and resid 28 and name HA )) (( segid "A " and resid 29 and name HD2 )) 1.700 0.300 0.500 peak 46 spectrum 1 weight 0.10000E+01 volume 0.42991E-01 ppm1 4.984 ppm2 3.757 CV 1 OR { 46} (( segid "A " and resid 28 and name HA )) (( segid "A " and resid 29 and name HD1 )) ASSI { 47} (( segid "A " and resid 28 and name HA )) (( segid "A " and resid 28 and name HB2 )) 2.100 0.500 0.500 peak 47 spectrum 1 weight 0.10000E+01 volume 0.10667E-01 ppm1 4.984 ppm2 2.756 CV 1 ASSI { 50} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 30 and name HB1 )) 2.000 2.000 4.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13737E-01 ppm1 4.588 ppm2 3.839 CV 1 OR { 50} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 30 and name HB2 )) ASSI { 51} (( segid "A " and resid 31 and name HA )) (( segid "A " and resid 32 and name HD2 )) 2.100 0.500 0.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.11572E-01 ppm1 4.588 ppm2 3.519 CV 1 ASSI { 52} (( segid "A " and resid 31 and name HB1 )) (( segid "A " and resid 31 and name HD2 )) 2.600 0.800 0.800 peak 52 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 1.705 ppm2 1.044 CV 1 ASSI { 53} (( segid "A " and resid 31 and name HB1 )) (( segid "A " and resid 30 and name HB2 )) 5.200 3.300 0.800 peak 53 spectrum 1 weight 0.10000E+01 volume 0.47517E-04 ppm1 1.705 ppm2 3.823 CV 1 OR { 53} (( segid "A " and resid 31 and name HB1 )) (( segid "A " and resid 30 and name HB1 )) ASSI { 54} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 30 and name HB2 )) 3.400 3.400 2.600 peak 54 spectrum 1 weight 0.10000E+01 volume 0.60769E-03 ppm1 1.151 ppm2 3.890 CV 1 OR { 54} (( segid "A " and resid 31 and name HG2 )) (( segid "A " and resid 30 and name HB1 )) ASSI { 55} (( segid "A " and resid 31 and name HD2 )) (( segid "A " and resid 31 and name HA )) 4.300 2.300 1.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.14514E-03 ppm1 1.061 ppm2 4.569 CV 1 ASSI { 56} (( segid "A " and resid 31 and name HD1 )) (( segid "A " and resid 31 and name HA )) 3.700 3.700 2.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.35879E-03 ppm1 1.302 ppm2 4.640 CV 1 ASSI { 57} (( segid "A " and resid 31 and name HD2 )) (( segid "A " and resid 94 and name HB2 )) 5.100 3.300 0.900 peak 57 spectrum 1 weight 0.10000E+01 volume 0.50749E-04 ppm1 1.062 ppm2 3.000 CV 1 ASSI { 58} (( segid "A " and resid 31 and name HD1 )) ( segid "A " and resid 94 and name HE% ) 4.600 2.700 1.400 peak 58 spectrum 1 weight 0.10000E+01 volume 0.91800E-04 ppm1 1.304 ppm2 6.647 CV 1 ASSI { 59} (( segid "A " and resid 31 and name HD2 )) ( segid "A " and resid 94 and name HE% ) 5.400 3.700 0.600 peak 59 spectrum 1 weight 0.10000E+01 volume 0.35879E-04 ppm1 1.070 ppm2 6.643 CV 1 ASSI { 60} (( segid "A " and resid 31 and name HE1 )) (( segid "A " and resid 25 and name HB2 )) 4.500 2.500 1.500 peak 60 spectrum 1 weight 0.10000E+01 volume 0.11249E-03 ppm1 2.679 ppm2 2.103 CV 1 ASSI { 61} (( segid "A " and resid 33 and name HA2 )) (( segid "A " and resid 33 and name HA1 )) 2.200 0.600 0.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.74991E-02 ppm1 4.160 ppm2 3.898 CV 1 ASSI { 62} (( segid "A " and resid 33 and name HA1 )) (( segid "A " and resid 34 and name HA )) 3.700 1.700 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.35233E-03 ppm1 3.918 ppm2 4.616 CV 1 ASSI { 63} (( segid "A " and resid 33 and name HA2 )) (( segid "A " and resid 96 and name HE3 )) 3.600 1.600 1.600 peak 63 spectrum 1 weight 0.10000E+01 volume 0.42344E-03 ppm1 4.164 ppm2 7.419 CV 1 ASSI { 64} (( segid "A " and resid 34 and name HA )) (( segid "A " and resid 34 and name HB1 )) 2.500 0.800 0.800 peak 64 spectrum 1 weight 0.10000E+01 volume 0.36850E-02 ppm1 4.621 ppm2 1.433 CV 1 ASSI { 65} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 32 and name HD2 )) 5.400 3.700 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.34587E-04 ppm1 1.552 ppm2 3.523 CV 1 ASSI { 66} (( segid "A " and resid 31 and name HB2 )) (( segid "A " and resid 31 and name HD2 )) 2.500 0.800 0.800 peak 66 spectrum 1 weight 0.10000E+01 volume 0.38466E-02 ppm1 1.551 ppm2 1.073 CV 1 ASSI { 68} (( segid "A " and resid 35 and name HA )) (( segid "A " and resid 35 and name HE2 )) 3.200 1.300 1.300 peak 68 spectrum 1 weight 0.10000E+01 volume 0.76931E-03 ppm1 4.670 ppm2 2.977 CV 1 OR { 68} (( segid "A " and resid 35 and name HA )) (( segid "A " and resid 35 and name HE1 )) ASSI { 69} (( segid "A " and resid 35 and name HA )) ( segid "A " and resid 39 and name HD2%) 2.800 1.000 1.000 peak 69 spectrum 1 weight 0.10000E+01 volume 0.17552E-02 ppm1 4.666 ppm2 0.910 CV 1 ASSI { 70} (( segid "A " and resid 35 and name HB2 )) ( segid "A " and resid 147 and name HD1%) 2.800 1.000 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.17810E-02 ppm1 1.755 ppm2 0.716 CV 1 ASSI { 72} (( segid "A " and resid 36 and name HB )) (( segid "A " and resid 36 and name HA )) 2.400 0.700 0.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.44931E-02 ppm1 4.527 ppm2 5.402 CV 1 ASSI { 73} (( segid "A " and resid 36 and name HB )) (( segid "A " and resid 146 and name HB1 )) 3.500 1.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.49779E-03 ppm1 4.527 ppm2 1.870 CV 1 ASSI { 74} (( segid "A " and resid 36 and name HB )) (( segid "A " and resid 146 and name HG2 )) 5.400 3.600 0.600 peak 74 spectrum 1 weight 0.10000E+01 volume 0.37819E-04 ppm1 4.528 ppm2 2.461 CV 1 ASSI { 75} (( segid "A " and resid 36 and name HB )) ( segid "A " and resid 36 and name HG2%) 2.100 0.500 0.500 peak 75 spectrum 1 weight 0.10000E+01 volume 0.11249E-01 ppm1 4.524 ppm2 0.822 CV 1 ASSI { 76} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 37 and name HB2 )) 2.300 0.700 0.700 peak 76 spectrum 1 weight 0.10000E+01 volume 0.61416E-02 ppm1 4.402 ppm2 2.994 CV 1 ASSI { 77} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 77 spectrum 1 weight 0.10000E+01 volume 0.30255E-02 ppm1 4.401 ppm2 2.210 CV 1 ASSI { 78} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 43 and name HN )) 4.100 2.100 1.900 peak 78 spectrum 1 weight 0.10000E+01 volume 0.20332E-03 ppm1 4.198 ppm2 8.315 CV 1 ASSI { 79} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 40 and name HB1 )) 2.200 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.74345E-02 ppm1 4.197 ppm2 2.186 CV 1 OR { 79} (( segid "A " and resid 40 and name HA )) (( segid "A " and resid 40 and name HB2 )) ASSI { 81} (( segid "A " and resid 40 and name HB2 )) ( segid "A " and resid 147 and name HD1%) 2.400 0.700 0.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.46546E-02 ppm1 2.233 ppm2 0.745 CV 1 ASSI { 83} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 83 spectrum 1 weight 0.10000E+01 volume 0.29479E-02 ppm1 4.331 ppm2 3.140 CV 1 ASSI { 84} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 41 and name HB2 )) 3.300 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.74022E-03 ppm1 4.331 ppm2 3.493 CV 1 ASSI { 85} (( segid "A " and resid 41 and name HA )) ( segid "A " and resid 41 and name HE% ) 3.500 1.500 1.500 peak 85 spectrum 1 weight 0.10000E+01 volume 0.53011E-03 ppm1 4.332 ppm2 6.627 CV 1 ASSI { 86} (( segid "A " and resid 41 and name HA )) ( segid "A " and resid 41 and name HD% ) 2.300 0.700 0.700 peak 86 spectrum 1 weight 0.10000E+01 volume 0.55921E-02 ppm1 4.332 ppm2 7.090 CV 1 ASSI { 87} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 42 and name HN )) 3.000 1.100 1.100 peak 87 spectrum 1 weight 0.10000E+01 volume 0.12024E-02 ppm1 4.330 ppm2 8.889 CV 1 ASSI { 88} (( segid "A " and resid 41 and name HA )) (( segid "A " and resid 45 and name HB )) 3.100 3.100 2.900 peak 88 spectrum 1 weight 0.10000E+01 volume 0.94383E-03 ppm1 4.335 ppm2 1.104 CV 1 ASSI { 89} (( segid "A " and resid 41 and name HA )) ( segid "A " and resid 45 and name HG2%) 2.200 0.600 0.600 peak 89 spectrum 1 weight 0.10000E+01 volume 0.78871E-02 ppm1 4.331 ppm2 0.651 CV 1 ASSI { 90} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 41 and name HD% ) 4.300 2.300 1.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.14805E-03 ppm1 4.355 ppm2 7.117 CV 1 ASSI { 91} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 41 and name HE% ) 4.800 2.900 1.200 peak 91 spectrum 1 weight 0.10000E+01 volume 0.70789E-04 ppm1 4.358 ppm2 6.617 CV 1 ASSI { 92} (( segid "A " and resid 42 and name HA )) ( segid "A " and resid 46 and name HG1%) 2.200 0.600 0.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.77577E-02 ppm1 4.352 ppm2 0.964 CV 1 ASSI { 93} (( segid "A " and resid 42 and name HA )) (( segid "A " and resid 42 and name HN )) 3.600 1.600 1.600 peak 93 spectrum 1 weight 0.10000E+01 volume 0.40729E-03 ppm1 4.354 ppm2 8.906 CV 1 ASSI { 94} (( segid "A " and resid 42 and name HG1 )) (( segid "A " and resid 42 and name HG2 )) 4.000 4.000 2.000 peak 94 spectrum 1 weight 0.10000E+01 volume 0.20882E-03 ppm1 2.776 ppm2 3.165 CV 1 ASSI { 95} ( segid "A " and resid 42 and name HE% ) ( segid "A " and resid 46 and name HG1%) 2.200 2.200 3.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.79517E-02 ppm1 2.192 ppm2 0.967 CV 1 ASSI { 96} ( segid "A " and resid 42 and name HE% ) ( segid "A " and resid 105 and name HD% ) 2.300 0.600 0.600 peak 96 spectrum 1 weight 0.10000E+01 volume 0.68527E-02 ppm1 2.192 ppm2 6.872 CV 1 ASSI { 97} (( segid "A " and resid 44 and name HA )) (( segid "A " and resid 44 and name HB1 )) 2.000 0.500 0.500 peak 97 spectrum 1 weight 0.10000E+01 volume 0.12477E-01 ppm1 4.558 ppm2 2.820 CV 1 ASSI { 98} (( segid "A " and resid 44 and name HA )) ( segid "A " and resid 45 and name HG1%) 3.100 3.100 2.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.10118E-02 ppm1 4.557 ppm2 0.573 CV 1 ASSI { 99} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 136 and name HE1 )) 3.300 3.300 2.700 peak 99 spectrum 1 weight 0.10000E+01 volume 0.75962E-03 ppm1 4.085 ppm2 2.789 CV 1 OR { 99} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 136 and name HE2 )) ASSI { 100} (( segid "A " and resid 45 and name HA )) (( segid "A " and resid 45 and name HB )) 2.600 0.800 0.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.31419E-02 ppm1 4.087 ppm2 1.102 CV 1 ASSI { 102} (( segid "A " and resid 45 and name HB )) ( segid "A " and resid 41 and name HE% ) 3.600 1.600 1.600 peak 102 spectrum 1 weight 0.10000E+01 volume 0.44931E-03 ppm1 1.039 ppm2 6.596 CV 1 ASSI { 103} ( segid "A " and resid 46 and name HG1%) (( segid "A " and resid 46 and name HB )) 2.300 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.57213E-02 ppm1 0.985 ppm2 2.845 CV 1 ASSI { 104} ( segid "A " and resid 46 and name HG1%) (( segid "A " and resid 42 and name HB1 )) 3.200 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.91154E-03 ppm1 0.985 ppm2 2.283 CV 1 ASSI { 105} ( segid "A " and resid 46 and name HG1%) (( segid "A " and resid 46 and name HA )) 2.600 0.900 0.900 peak 105 spectrum 1 weight 0.10000E+01 volume 0.27799E-02 ppm1 0.985 ppm2 3.379 CV 1 ASSI { 108} ( segid "A " and resid 46 and name HG1%) (( segid "A " and resid 48 and name HN )) 3.700 1.700 1.700 peak 108 spectrum 1 weight 0.10000E+01 volume 0.33294E-03 ppm1 0.982 ppm2 6.278 CV 1 ASSI { 109} ( segid "A " and resid 46 and name HG1%) (( segid "A " and resid 44 and name HN )) 5.000 3.100 1.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.59799E-04 ppm1 0.984 ppm2 8.957 CV 1 ASSI { 110} (( segid "A " and resid 46 and name HA )) ( segid "A " and resid 41 and name HD% ) 4.500 2.500 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.10893E-03 ppm1 3.343 ppm2 7.133 CV 1 ASSI { 111} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 42 and name HA )) 2.500 2.500 3.500 peak 111 spectrum 1 weight 0.10000E+01 volume 0.34587E-02 ppm1 3.334 ppm2 4.318 CV 1 ASSI { 112} (( segid "A " and resid 46 and name HA )) (( segid "A " and resid 137 and name HA )) 3.600 3.600 2.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.44931E-03 ppm1 3.336 ppm2 3.704 CV 1 ASSI { 113} (( segid "A " and resid 46 and name HA )) ( segid "A " and resid 41 and name HE% ) 3.700 1.700 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 3.341 ppm2 6.624 CV 1 ASSI { 114} (( segid "A " and resid 46 and name HA )) ( segid "A " and resid 45 and name HG1%) 3.100 1.200 1.200 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10764E-02 ppm1 3.337 ppm2 0.532 CV 1 ASSI { 115} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 42 and name HA )) 2.900 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.14385E-02 ppm1 0.666 ppm2 4.389 CV 1 ASSI { 116} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 45 and name HA )) 2.100 0.500 0.500 peak 116 spectrum 1 weight 0.10000E+01 volume 0.11798E-01 ppm1 0.666 ppm2 4.073 CV 1 ASSI { 117} ( segid "A " and resid 45 and name HG2%) (( segid "A " and resid 44 and name HB2 )) 2.400 0.700 0.700 peak 117 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 0.666 ppm2 2.840 CV 1 ASSI { 118} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 41 and name HD% ) 2.700 0.900 0.900 peak 118 spectrum 1 weight 0.10000E+01 volume 0.24114E-02 ppm1 0.666 ppm2 7.099 CV 1 ASSI { 119} ( segid "A " and resid 45 and name HG1%) ( segid "A " and resid 41 and name HD% ) 3.100 1.200 1.200 peak 119 spectrum 1 weight 0.10000E+01 volume 0.99562E-03 ppm1 0.579 ppm2 7.081 CV 1 ASSI { 120} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 42 and name HA )) 2.800 1.000 1.000 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 0.578 ppm2 4.396 CV 1 ASSI { 121} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 45 and name HA )) 2.200 0.600 0.600 peak 121 spectrum 1 weight 0.10000E+01 volume 0.85335E-02 ppm1 0.579 ppm2 4.060 CV 1 ASSI { 122} ( segid "A " and resid 45 and name HG1%) ( segid "A " and resid 41 and name HE% ) 2.600 0.900 0.900 peak 122 spectrum 1 weight 0.10000E+01 volume 0.28316E-02 ppm1 0.579 ppm2 6.618 CV 1 ASSI { 123} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 41 and name HB2 )) 3.700 1.700 1.700 peak 123 spectrum 1 weight 0.10000E+01 volume 0.35233E-03 ppm1 0.580 ppm2 3.442 CV 1 ASSI { 124} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 136 and name HE1 )) 2.400 2.400 3.600 peak 124 spectrum 1 weight 0.10000E+01 volume 0.47193E-02 ppm1 0.579 ppm2 2.868 CV 1 OR { 124} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 136 and name HE2 )) ASSI { 125} ( segid "A " and resid 45 and name HG1%) (( segid "A " and resid 48 and name HB2 )) 3.000 3.000 3.000 peak 125 spectrum 1 weight 0.10000E+01 volume 0.13091E-02 ppm1 0.576 ppm2 1.769 CV 1 ASSI { 126} (( segid "A " and resid 47 and name HA )) (( segid "A " and resid 47 and name HB )) 2.900 2.900 3.100 peak 126 spectrum 1 weight 0.10000E+01 volume 0.14708E-02 ppm1 3.826 ppm2 2.593 CV 1 ASSI { 127} (( segid "A " and resid 47 and name HA )) ( segid "A " and resid 47 and name HG1%) 2.500 0.800 0.800 peak 127 spectrum 1 weight 0.10000E+01 volume 0.36526E-02 ppm1 3.825 ppm2 1.331 CV 1 ASSI { 128} (( segid "A " and resid 47 and name HA )) ( segid "A " and resid 90 and name HD1%) 2.600 2.600 3.400 peak 128 spectrum 1 weight 0.10000E+01 volume 0.28187E-02 ppm1 3.825 ppm2 0.855 CV 1 ASSI { 133} (( segid "A " and resid 47 and name HB )) ( segid "A " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 133 spectrum 1 weight 0.10000E+01 volume 0.33294E-03 ppm1 2.532 ppm2 7.107 CV 1 ASSI { 134} ( segid "A " and resid 47 and name HG1%) (( segid "A " and resid 45 and name HA )) 2.700 2.700 3.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.22723E-02 ppm1 1.287 ppm2 4.135 CV 1 ASSI { 136} ( segid "A " and resid 47 and name HG1%) (( segid "A " and resid 47 and name HB )) 2.500 0.800 0.800 peak 136 spectrum 1 weight 0.10000E+01 volume 0.36203E-02 ppm1 1.288 ppm2 2.554 CV 1 ASSI { 137} ( segid "A " and resid 47 and name HG1%) ( segid "A " and resid 105 and name HE% ) 2.200 0.600 0.600 peak 137 spectrum 1 weight 0.10000E+01 volume 0.85012E-02 ppm1 1.287 ppm2 7.059 CV 1 ASSI { 138} ( segid "A " and resid 47 and name HG1%) (( segid "A " and resid 87 and name HN )) 4.100 2.100 1.900 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19653E-03 ppm1 1.286 ppm2 8.546 CV 1 ASSI { 140} ( segid "A " and resid 47 and name HG2%) (( segid "A " and resid 47 and name HA )) 2.500 0.800 0.800 peak 140 spectrum 1 weight 0.10000E+01 volume 0.37819E-02 ppm1 1.137 ppm2 3.809 CV 1 ASSI { 141} ( segid "A " and resid 47 and name HG2%) (( segid "A " and resid 47 and name HB )) 2.300 0.600 0.600 peak 141 spectrum 1 weight 0.10000E+01 volume 0.65295E-02 ppm1 1.137 ppm2 2.554 CV 1 ASSI { 142} ( segid "A " and resid 47 and name HG2%) ( segid "A " and resid 105 and name HE% ) 3.200 1.300 1.300 peak 142 spectrum 1 weight 0.10000E+01 volume 0.80810E-03 ppm1 1.135 ppm2 7.064 CV 1 ASSI { 144} ( segid "A " and resid 47 and name HG2%) (( segid "A " and resid 87 and name HN )) 3.800 1.800 1.800 peak 144 spectrum 1 weight 0.10000E+01 volume 0.31386E-03 ppm1 1.136 ppm2 8.583 CV 1 ASSI { 146} (( segid "A " and resid 49 and name HA )) ( segid "A " and resid 49 and name HG2%) 1.900 0.500 0.500 peak 146 spectrum 1 weight 0.10000E+01 volume 0.17649E-01 ppm1 4.013 ppm2 1.241 CV 1 ASSI { 147} (( segid "A " and resid 49 and name HA )) (( segid "A " and resid 52 and name HG1 )) 2.400 2.400 3.600 peak 147 spectrum 1 weight 0.10000E+01 volume 0.48486E-02 ppm1 4.011 ppm2 1.802 CV 1 ASSI { 148} (( segid "A " and resid 49 and name HB )) (( segid "A " and resid 136 and name HE2 )) 3.100 1.200 1.200 peak 148 spectrum 1 weight 0.10000E+01 volume 0.94060E-03 ppm1 4.279 ppm2 2.832 CV 1 ASSI { 149} (( segid "A " and resid 90 and name HB1 )) (( segid "A " and resid 90 and name HB2 )) 2.800 2.800 3.200 peak 149 spectrum 1 weight 0.10000E+01 volume 0.18360E-02 ppm1 1.479 ppm2 2.291 CV 1 ASSI { 150} (( segid "A " and resid 50 and name HB2 )) (( segid "A " and resid 50 and name HA )) 3.300 1.400 1.400 peak 150 spectrum 1 weight 0.10000E+01 volume 0.65618E-03 ppm1 2.233 ppm2 4.117 CV 1 ASSI { 151} (( segid "A " and resid 50 and name HB1 )) ( segid "A " and resid 109 and name HE% ) 5.700 4.100 0.300 peak 151 spectrum 1 weight 0.10000E+01 volume 0.25698E-04 ppm1 1.482 ppm2 6.480 CV 1 ASSI { 152} (( segid "A " and resid 50 and name HG )) (( segid "A " and resid 133 and name HA )) 2.500 2.500 3.500 peak 152 spectrum 1 weight 0.10000E+01 volume 0.38142E-02 ppm1 0.989 ppm2 3.807 CV 1 ASSI { 153} (( segid "A " and resid 50 and name HG )) ( segid "A " and resid 105 and name HE% ) 2.500 0.800 0.800 peak 153 spectrum 1 weight 0.10000E+01 volume 0.38142E-02 ppm1 0.990 ppm2 7.083 CV 1 ASSI { 154} (( segid "A " and resid 50 and name HG )) (( segid "A " and resid 133 and name HN )) 3.000 1.100 1.100 peak 154 spectrum 1 weight 0.10000E+01 volume 0.11701E-02 ppm1 0.994 ppm2 8.770 CV 1 ASSI { 155} ( segid "A " and resid 50 and name HD2%) (( segid "A " and resid 50 and name HA )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.44931E-02 ppm1 0.971 ppm2 4.099 CV 1 ASSI { 156} ( segid "A " and resid 50 and name HD2%) (( segid "A " and resid 52 and name HB2 )) 2.500 2.500 3.500 peak 156 spectrum 1 weight 0.10000E+01 volume 0.40405E-02 ppm1 0.971 ppm2 2.005 CV 1 OR { 156} ( segid "A " and resid 50 and name HD2%) (( segid "A " and resid 52 and name HB1 )) OR { 156} ( segid "A " and resid 50 and name HD1%) (( segid "A " and resid 52 and name HB2 )) ASSI { 157} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HB1 )) 3.200 1.300 1.300 peak 157 spectrum 1 weight 0.10000E+01 volume 0.77901E-03 ppm1 3.903 ppm2 3.259 CV 1 ASSI { 158} (( segid "A " and resid 51 and name HA )) ( segid "A " and resid 60 and name HE% ) 2.300 0.700 0.700 peak 158 spectrum 1 weight 0.10000E+01 volume 0.58830E-02 ppm1 3.903 ppm2 6.162 CV 1 ASSI { 159} (( segid "A " and resid 51 and name HA )) (( segid "A " and resid 51 and name HE3 )) 3.300 1.400 1.400 peak 159 spectrum 1 weight 0.10000E+01 volume 0.68850E-03 ppm1 3.907 ppm2 7.477 CV 1 ASSI { 160} (( segid "A " and resid 51 and name HB2 )) (( segid "A " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 160 spectrum 1 weight 0.10000E+01 volume 0.19330E-02 ppm1 3.710 ppm2 3.230 CV 1 ASSI { 161} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HB1 )) 1.900 0.400 0.400 peak 161 spectrum 1 weight 0.10000E+01 volume 0.21496E-01 ppm1 4.483 ppm2 2.072 CV 1 OR { 161} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HB2 )) ASSI { 162} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HG1 )) 2.500 0.800 0.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.38789E-02 ppm1 4.484 ppm2 1.817 CV 1 ASSI { 165} (( segid "A " and resid 52 and name HD2 )) (( segid "A " and resid 52 and name HG1 )) 3.000 1.100 1.100 peak 165 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 3.084 ppm2 1.812 CV 1 ASSI { 166} (( segid "A " and resid 52 and name HE2 )) (( segid "A " and resid 52 and name HG1 )) 2.100 2.100 3.900 peak 166 spectrum 1 weight 0.10000E+01 volume 0.12024E-01 ppm1 3.083 ppm2 1.833 CV 1 ASSI { 167} (( segid "A " and resid 50 and name HA )) (( segid "A " and resid 51 and name HN )) 3.500 1.600 1.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.45900E-03 ppm1 4.122 ppm2 9.172 CV 1 ASSI { 168} (( segid "A " and resid 53 and name HB1 )) ( segid "A " and resid 56 and name HB% ) 5.100 3.300 0.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.50102E-04 ppm1 3.137 ppm2 1.604 CV 1 ASSI { 169} (( segid "A " and resid 135 and name HB2 )) (( segid "A " and resid 135 and name HG1 )) 2.100 0.500 0.500 peak 169 spectrum 1 weight 0.10000E+01 volume 0.11216E-01 ppm1 2.330 ppm2 2.635 CV 1 OR { 169} (( segid "A " and resid 135 and name HB2 )) (( segid "A " and resid 135 and name HG2 )) ASSI { 170} (( segid "A " and resid 55 and name HA )) ( segid "A " and resid 125 and name HE% ) 2.300 0.700 0.700 peak 170 spectrum 1 weight 0.10000E+01 volume 0.61092E-02 ppm1 5.252 ppm2 1.794 CV 1 ASSI { 171} (( segid "A " and resid 55 and name HA )) (( segid "A " and resid 55 and name HB1 )) 3.600 1.600 1.600 peak 171 spectrum 1 weight 0.10000E+01 volume 0.44284E-03 ppm1 5.251 ppm2 3.345 CV 1 ASSI { 174} (( segid "A " and resid 55 and name HA )) (( segid "A " and resid 125 and name HG2 )) 4.200 2.200 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.16453E-03 ppm1 5.254 ppm2 2.358 CV 1 ASSI { 175} (( segid "A " and resid 55 and name HA )) (( segid "A " and resid 125 and name HB1 )) 5.100 3.300 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.50425E-04 ppm1 5.256 ppm2 2.162 CV 1 ASSI { 176} ( segid "A " and resid 56 and name HB% ) (( segid "A " and resid 51 and name HA )) 3.400 1.400 1.400 peak 176 spectrum 1 weight 0.10000E+01 volume 0.63678E-03 ppm1 1.617 ppm2 3.872 CV 1 ASSI { 177} ( segid "A " and resid 56 and name HB% ) ( segid "A " and resid 129 and name HD2%) 2.800 1.000 1.000 peak 177 spectrum 1 weight 0.10000E+01 volume 0.18813E-02 ppm1 1.618 ppm2 0.574 CV 1 ASSI { 178} ( segid "A " and resid 56 and name HB% ) ( segid "A " and resid 60 and name HE% ) 2.300 0.600 0.600 peak 178 spectrum 1 weight 0.10000E+01 volume 0.66911E-02 ppm1 1.618 ppm2 6.164 CV 1 ASSI { 179} (( segid "A " and resid 57 and name HB1 )) ( segid "A " and resid 60 and name HE% ) 4.600 2.600 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.10053E-03 ppm1 3.207 ppm2 6.143 CV 1 ASSI { 180} (( segid "A " and resid 58 and name HA )) (( segid "A " and resid 58 and name HB2 )) 2.900 1.100 1.100 peak 180 spectrum 1 weight 0.10000E+01 volume 0.14482E-02 ppm1 3.765 ppm2 1.591 CV 1 OR { 180} (( segid "A " and resid 58 and name HA )) (( segid "A " and resid 58 and name HB1 )) ASSI { 182} (( segid "A " and resid 59 and name HA )) (( segid "A " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 182 spectrum 1 weight 0.10000E+01 volume 0.24081E-02 ppm1 4.687 ppm2 3.620 CV 1 ASSI { 183} (( segid "A " and resid 59 and name HB2 )) (( segid "A " and resid 59 and name HB1 )) 3.500 3.500 2.500 peak 183 spectrum 1 weight 0.10000E+01 volume 0.49456E-03 ppm1 3.660 ppm2 2.751 CV 1 ASSI { 185} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 62 and name HD1 )) 2.500 0.800 0.800 peak 185 spectrum 1 weight 0.10000E+01 volume 0.37496E-02 ppm1 5.021 ppm2 3.914 CV 1 ASSI { 186} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 62 and name HD2 )) 2.500 0.800 0.800 peak 186 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 5.023 ppm2 3.505 CV 1 ASSI { 187} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 61 and name HG1 )) 2.400 0.700 0.700 peak 187 spectrum 1 weight 0.10000E+01 volume 0.48163E-02 ppm1 5.020 ppm2 2.274 CV 1 OR { 187} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 61 and name HG2 )) ASSI { 188} (( segid "A " and resid 61 and name HA )) (( segid "A " and resid 61 and name HB2 )) 2.300 0.700 0.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.57213E-02 ppm1 5.021 ppm2 1.926 CV 1 ASSI { 190} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HB2 )) 3.300 1.300 1.300 peak 190 spectrum 1 weight 0.10000E+01 volume 0.75639E-03 ppm1 4.151 ppm2 1.539 CV 1 ASSI { 191} (( segid "A " and resid 62 and name HG2 )) ( segid "A " and resid 63 and name HG1%) 4.000 2.000 2.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.20817E-03 ppm1 1.929 ppm2 0.728 CV 1 OR { 191} (( segid "A " and resid 62 and name HG1 )) ( segid "A " and resid 63 and name HG1%) ASSI { 192} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 63 and name HB )) 2.500 0.800 0.800 peak 192 spectrum 1 weight 0.10000E+01 volume 0.36203E-02 ppm1 3.247 ppm2 1.253 CV 1 ASSI { 193} (( segid "A " and resid 63 and name HA )) ( segid "A " and resid 63 and name HG1%) 2.000 0.500 0.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.15031E-01 ppm1 3.247 ppm2 0.695 CV 1 ASSI { 194} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 64 and name HA )) 4.000 2.000 2.000 peak 194 spectrum 1 weight 0.10000E+01 volume 0.22400E-03 ppm1 3.245 ppm2 4.637 CV 1 ASSI { 195} (( segid "A " and resid 63 and name HA )) ( segid "A " and resid 63 and name HG2%) 2.000 0.500 0.500 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13027E-01 ppm1 3.247 ppm2 -0.354 CV 1 ASSI { 197} (( segid "A " and resid 63 and name HB )) ( segid "A " and resid 63 and name HG1%) 2.100 0.600 0.600 peak 197 spectrum 1 weight 0.10000E+01 volume 0.95029E-02 ppm1 1.273 ppm2 0.731 CV 1 ASSI { 198} (( segid "A " and resid 63 and name HB )) ( segid "A " and resid 73 and name HE% ) 3.100 1.200 1.200 peak 198 spectrum 1 weight 0.10000E+01 volume 0.10215E-02 ppm1 1.262 ppm2 6.038 CV 1 ASSI { 199} (( segid "A " and resid 63 and name HB )) ( segid "A " and resid 63 and name HG2%) 2.100 0.500 0.500 peak 199 spectrum 1 weight 0.10000E+01 volume 0.11475E-01 ppm1 1.275 ppm2 -0.353 CV 1 ASSI { 202} ( segid "A " and resid 63 and name HG1%) ( segid "A " and resid 73 and name HE% ) 2.900 1.000 1.000 peak 202 spectrum 1 weight 0.10000E+01 volume 0.16000E-02 ppm1 0.729 ppm2 6.046 CV 1 ASSI { 203} ( segid "A " and resid 63 and name HG2%) ( segid "A " and resid 63 and name HG1%) 2.000 0.500 0.500 peak 203 spectrum 1 weight 0.10000E+01 volume 0.16420E-01 ppm1 -0.362 ppm2 0.739 CV 1 ASSI { 205} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 81 and name HG1 )) 3.300 3.300 2.700 peak 205 spectrum 1 weight 0.10000E+01 volume 0.67234E-03 ppm1 -0.368 ppm2 1.847 CV 1 ASSI { 208} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 80 and name HD2 )) 4.200 2.200 1.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.16291E-03 ppm1 -0.367 ppm2 3.664 CV 1 OR { 208} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 80 and name HD1 )) ASSI { 209} ( segid "A " and resid 63 and name HG2%) ( segid "A " and resid 73 and name HE% ) 3.400 1.400 1.400 peak 209 spectrum 1 weight 0.10000E+01 volume 0.59799E-03 ppm1 -0.356 ppm2 6.023 CV 1 ASSI { 210} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HB1 )) 2.400 0.700 0.700 peak 210 spectrum 1 weight 0.10000E+01 volume 0.45900E-02 ppm1 4.685 ppm2 2.427 CV 1 ASSI { 211} (( segid "A " and resid 64 and name HA )) ( segid "A " and resid 63 and name HG2%) 3.400 3.400 2.600 peak 211 spectrum 1 weight 0.10000E+01 volume 0.63355E-03 ppm1 4.680 ppm2 -0.412 CV 1 ASSI { 212} (( segid "A " and resid 64 and name HA )) (( segid "A " and resid 64 and name HB2 )) 2.300 0.700 0.700 peak 212 spectrum 1 weight 0.10000E+01 volume 0.55597E-02 ppm1 4.684 ppm2 2.984 CV 1 ASSI { 213} (( segid "A " and resid 64 and name HB2 )) (( segid "A " and resid 64 and name HB1 )) 4.500 4.500 1.500 peak 213 spectrum 1 weight 0.10000E+01 volume 0.10602E-03 ppm1 2.964 ppm2 2.420 CV 1 ASSI { 214} (( segid "A " and resid 64 and name HB1 )) (( segid "A " and resid 67 and name HB2 )) 3.100 1.200 1.200 peak 214 spectrum 1 weight 0.10000E+01 volume 0.97614E-03 ppm1 2.424 ppm2 1.739 CV 1 ASSI { 216} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 70 and name HA )) 3.600 1.600 1.600 peak 216 spectrum 1 weight 0.10000E+01 volume 0.40081E-03 ppm1 3.596 ppm2 5.158 CV 1 ASSI { 217} (( segid "A " and resid 65 and name HA )) ( segid "A " and resid 70 and name HD1%) 2.500 2.500 3.500 peak 217 spectrum 1 weight 0.10000E+01 volume 0.32970E-02 ppm1 3.593 ppm2 0.472 CV 1 ASSI { 218} (( segid "A " and resid 65 and name HA )) ( segid "A " and resid 63 and name HG2%) 2.700 0.900 0.900 peak 218 spectrum 1 weight 0.10000E+01 volume 0.24017E-02 ppm1 3.590 ppm2 -0.351 CV 1 ASSI { 219} (( segid "A " and resid 65 and name HA )) (( segid "A " and resid 74 and name HD2 )) 3.900 1.900 1.900 peak 219 spectrum 1 weight 0.10000E+01 volume 0.24566E-03 ppm1 3.589 ppm2 7.185 CV 1 ASSI { 220} ( segid "A " and resid 65 and name HB% ) ( segid "A " and resid 63 and name HG2%) 2.800 0.900 0.900 peak 220 spectrum 1 weight 0.10000E+01 volume 0.20687E-02 ppm1 1.538 ppm2 -0.386 CV 1 ASSI { 221} ( segid "A " and resid 65 and name HB% ) (( segid "A " and resid 64 and name HB1 )) 2.900 2.900 3.100 peak 221 spectrum 1 weight 0.10000E+01 volume 0.14417E-02 ppm1 1.537 ppm2 2.446 CV 1 ASSI { 222} ( segid "A " and resid 65 and name HB% ) (( segid "A " and resid 65 and name HA )) 2.000 0.500 0.500 peak 222 spectrum 1 weight 0.10000E+01 volume 0.13770E-01 ppm1 1.541 ppm2 3.589 CV 1 ASSI { 224} ( segid "A " and resid 65 and name HB% ) (( segid "A " and resid 74 and name HD2 )) 2.500 0.800 0.800 peak 224 spectrum 1 weight 0.10000E+01 volume 0.40081E-02 ppm1 1.541 ppm2 7.138 CV 1 ASSI { 225} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 80 and name HB1 )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 3.971 ppm2 1.960 CV 1 ASSI { 227} (( segid "A " and resid 80 and name HA )) ( segid "A " and resid 77 and name HG2%) 2.500 0.800 0.800 peak 227 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 3.972 ppm2 0.410 CV 1 ASSI { 228} (( segid "A " and resid 66 and name HA )) (( segid "A " and resid 67 and name HN )) 5.800 4.200 0.200 peak 228 spectrum 1 weight 0.10000E+01 volume 0.23629E-04 ppm1 3.966 ppm2 7.918 CV 1 ASSI { 230} (( segid "A " and resid 66 and name HG12)) (( segid "A " and resid 66 and name HA )) 2.800 1.000 1.000 peak 230 spectrum 1 weight 0.10000E+01 volume 0.20493E-02 ppm1 1.304 ppm2 3.977 CV 1 ASSI { 231} (( segid "A " and resid 78 and name HD2 )) (( segid "A " and resid 78 and name HE2 )) 3.800 1.800 1.800 peak 231 spectrum 1 weight 0.10000E+01 volume 0.32195E-03 ppm1 1.617 ppm2 3.001 CV 1 OR { 231} (( segid "A " and resid 78 and name HD1 )) (( segid "A " and resid 78 and name HE1 )) OR { 231} (( segid "A " and resid 78 and name HD2 )) (( segid "A " and resid 78 and name HE1 )) ASSI { 232} ( segid "A " and resid 66 and name HG2%) (( segid "A " and resid 66 and name HB )) 2.000 0.500 0.500 peak 232 spectrum 1 weight 0.10000E+01 volume 0.14449E-01 ppm1 0.888 ppm2 2.108 CV 1 ASSI { 233} ( segid "A " and resid 66 and name HG2%) (( segid "A " and resid 67 and name HB2 )) 3.400 1.400 1.400 peak 233 spectrum 1 weight 0.10000E+01 volume 0.59476E-03 ppm1 0.886 ppm2 1.715 CV 1 ASSI { 234} ( segid "A " and resid 66 and name HG2%) (( segid "A " and resid 68 and name HN )) 5.400 3.600 0.600 peak 234 spectrum 1 weight 0.10000E+01 volume 0.38142E-04 ppm1 0.886 ppm2 7.866 CV 1 ASSI { 235} (( segid "A " and resid 67 and name HA )) (( segid "A " and resid 67 and name HB2 )) 2.000 0.500 0.500 peak 235 spectrum 1 weight 0.10000E+01 volume 0.12833E-01 ppm1 3.933 ppm2 1.721 CV 1 ASSI { 236} (( segid "A " and resid 78 and name HG1 )) (( segid "A " and resid 78 and name HA )) 2.400 0.700 0.700 peak 236 spectrum 1 weight 0.10000E+01 volume 0.46869E-02 ppm1 1.473 ppm2 4.234 CV 1 ASSI { 237} (( segid "A " and resid 67 and name HD2 )) (( segid "A " and resid 67 and name HA )) 3.200 1.300 1.300 peak 237 spectrum 1 weight 0.10000E+01 volume 0.87921E-03 ppm1 1.384 ppm2 3.941 CV 1 OR { 237} (( segid "A " and resid 67 and name HD1 )) (( segid "A " and resid 67 and name HA )) ASSI { 238} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 68 and name HB1 )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.52688E-02 ppm1 4.253 ppm2 1.482 CV 1 OR { 238} (( segid "A " and resid 68 and name HA )) (( segid "A " and resid 68 and name HB2 )) ASSI { 239} (( segid "A " and resid 68 and name HA )) ( segid "A " and resid 68 and name HD1%) 2.400 0.700 0.700 peak 239 spectrum 1 weight 0.10000E+01 volume 0.51395E-02 ppm1 4.253 ppm2 0.855 CV 1 ASSI { 240} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 147 and name HA )) 2.600 2.600 3.400 peak 240 spectrum 1 weight 0.10000E+01 volume 0.28768E-02 ppm1 0.760 ppm2 4.254 CV 1 ASSI { 241} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 35 and name HE1 )) 2.900 1.000 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.15871E-02 ppm1 0.751 ppm2 2.983 CV 1 OR { 241} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 35 and name HE2 )) ASSI { 242} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 145 and name HB )) 2.700 2.700 3.300 peak 242 spectrum 1 weight 0.10000E+01 volume 0.24049E-02 ppm1 0.759 ppm2 1.891 CV 1 ASSI { 243} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 146 and name HG2 )) 2.400 2.400 3.600 peak 243 spectrum 1 weight 0.10000E+01 volume 0.44284E-02 ppm1 0.750 ppm2 2.506 CV 1 ASSI { 244} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 36 and name HA )) 4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.23532E-03 ppm1 0.749 ppm2 5.416 CV 1 ASSI { 246} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HB2 )) 2.000 0.500 0.500 peak 246 spectrum 1 weight 0.10000E+01 volume 0.15225E-01 ppm1 4.251 ppm2 3.271 CV 1 ASSI { 247} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HB1 )) 1.900 1.900 4.100 peak 247 spectrum 1 weight 0.10000E+01 volume 0.18295E-01 ppm1 4.251 ppm2 2.633 CV 1 ASSI { 248} (( segid "A " and resid 69 and name HA )) (( segid "A " and resid 69 and name HN )) 6.000 5.300 0.000 peak 248 spectrum 1 weight 0.10000E+01 volume 0.11669E-04 ppm1 4.247 ppm2 7.514 CV 1 ASSI { 249} (( segid "A " and resid 69 and name HB2 )) (( segid "A " and resid 69 and name HB1 )) 1.800 0.400 0.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.30514E-01 ppm1 3.280 ppm2 2.627 CV 1 ASSI { 252} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 71 and name HD1 )) 2.600 0.900 0.900 peak 252 spectrum 1 weight 0.10000E+01 volume 0.26796E-02 ppm1 5.126 ppm2 3.910 CV 1 ASSI { 253} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 73 and name HA )) 2.600 2.600 3.400 peak 253 spectrum 1 weight 0.10000E+01 volume 0.28154E-02 ppm1 5.124 ppm2 3.592 CV 1 ASSI { 254} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 71 and name HG2 )) 3.000 1.100 1.100 peak 254 spectrum 1 weight 0.10000E+01 volume 0.12639E-02 ppm1 5.127 ppm2 2.077 CV 1 OR { 254} (( segid "A " and resid 70 and name HA )) (( segid "A " and resid 71 and name HG1 )) ASSI { 255} (( segid "A " and resid 70 and name HA )) ( segid "A " and resid 65 and name HB% ) 3.500 1.500 1.500 peak 255 spectrum 1 weight 0.10000E+01 volume 0.51395E-03 ppm1 5.117 ppm2 1.556 CV 1 ASSI { 256} (( segid "A " and resid 70 and name HA )) ( segid "A " and resid 70 and name HD2%) 2.400 0.700 0.700 peak 256 spectrum 1 weight 0.10000E+01 volume 0.47193E-02 ppm1 5.123 ppm2 0.926 CV 1 ASSI { 257} (( segid "A " and resid 70 and name HB2 )) (( segid "A " and resid 70 and name HA )) 4.300 2.300 1.700 peak 257 spectrum 1 weight 0.10000E+01 volume 0.14902E-03 ppm1 1.742 ppm2 5.158 CV 1 ASSI { 258} (( segid "A " and resid 75 and name HG1 )) (( segid "A " and resid 74 and name HN )) 3.100 3.100 2.900 peak 258 spectrum 1 weight 0.10000E+01 volume 0.97937E-03 ppm1 1.376 ppm2 8.515 CV 1 ASSI { 259} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 70 and name HA )) 2.800 1.000 1.000 peak 259 spectrum 1 weight 0.10000E+01 volume 0.19621E-02 ppm1 0.493 ppm2 5.119 CV 1 ASSI { 260} ( segid "A " and resid 70 and name HD1%) (( segid "A " and resid 68 and name HA )) 3.000 3.000 3.000 peak 260 spectrum 1 weight 0.10000E+01 volume 0.13124E-02 ppm1 0.493 ppm2 4.262 CV 1 ASSI { 261} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 65 and name HB% ) 2.600 2.600 3.400 peak 261 spectrum 1 weight 0.10000E+01 volume 0.29835E-02 ppm1 0.492 ppm2 1.558 CV 1 ASSI { 262} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 70 and name HD2%) 3.200 3.200 2.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.78224E-03 ppm1 0.493 ppm2 0.989 CV 1 ASSI { 263} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 63 and name HG2%) 2.400 0.700 0.700 peak 263 spectrum 1 weight 0.10000E+01 volume 0.42021E-02 ppm1 0.493 ppm2 -0.353 CV 1 ASSI { 264} ( segid "A " and resid 46 and name HG2%) ( segid "A " and resid 42 and name HE% ) 3.600 1.600 1.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.43961E-03 ppm1 0.926 ppm2 2.156 CV 1 ASSI { 266} (( segid "A " and resid 71 and name HA )) (( segid "A " and resid 65 and name HA )) 3.200 1.300 1.300 peak 266 spectrum 1 weight 0.10000E+01 volume 0.84366E-03 ppm1 4.464 ppm2 3.631 CV 1 ASSI { 267} (( segid "A " and resid 71 and name HA )) (( segid "A " and resid 71 and name HB1 )) 2.100 0.600 0.600 peak 267 spectrum 1 weight 0.10000E+01 volume 0.94706E-02 ppm1 4.466 ppm2 2.347 CV 1 ASSI { 268} (( segid "A " and resid 80 and name HB2 )) ( segid "A " and resid 73 and name HE% ) 4.100 2.100 1.900 peak 268 spectrum 1 weight 0.10000E+01 volume 0.17843E-03 ppm1 2.364 ppm2 6.081 CV 1 ASSI { 269} (( segid "A " and resid 80 and name HB2 )) ( segid "A " and resid 77 and name HG2%) 3.400 1.400 1.400 peak 269 spectrum 1 weight 0.10000E+01 volume 0.59799E-03 ppm1 2.366 ppm2 0.478 CV 1 ASSI { 270} (( segid "A " and resid 71 and name HG2 )) (( segid "A " and resid 72 and name HA )) 3.200 1.300 1.300 peak 270 spectrum 1 weight 0.10000E+01 volume 0.80164E-03 ppm1 2.066 ppm2 4.590 CV 1 ASSI { 271} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 72 and name HB2 )) 2.200 0.600 0.600 peak 271 spectrum 1 weight 0.10000E+01 volume 0.77254E-02 ppm1 4.627 ppm2 2.757 CV 1 ASSI { 272} (( segid "A " and resid 72 and name HA )) (( segid "A " and resid 72 and name HB1 )) 2.300 0.700 0.700 peak 272 spectrum 1 weight 0.10000E+01 volume 0.53981E-02 ppm1 4.627 ppm2 3.076 CV 1 ASSI { 274} (( segid "A " and resid 72 and name HB2 )) (( segid "A " and resid 75 and name HB2 )) 3.800 1.800 1.800 peak 274 spectrum 1 weight 0.10000E+01 volume 0.29253E-03 ppm1 2.799 ppm2 1.947 CV 1 ASSI { 276} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 73 and name HB2 )) 3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 3.534 ppm2 2.667 CV 1 ASSI { 277} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 73 and name HB1 )) 3.000 1.200 1.200 peak 277 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 3.535 ppm2 2.345 CV 1 ASSI { 278} (( segid "A " and resid 73 and name HA )) ( segid "A " and resid 73 and name HE% ) 3.600 1.600 1.600 peak 278 spectrum 1 weight 0.10000E+01 volume 0.43961E-03 ppm1 3.534 ppm2 6.025 CV 1 ASSI { 279} (( segid "A " and resid 73 and name HA )) ( segid "A " and resid 115 and name HD% ) 3.100 1.200 1.200 peak 279 spectrum 1 weight 0.10000E+01 volume 0.10505E-02 ppm1 3.535 ppm2 6.981 CV 1 ASSI { 280} (( segid "A " and resid 73 and name HA )) (( segid "A " and resid 77 and name HG12)) 3.000 3.000 3.000 peak 280 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 3.525 ppm2 0.437 CV 1 ASSI { 283} (( segid "A " and resid 79 and name HB1 )) ( segid "A " and resid 107 and name HG2%) 2.900 1.100 1.100 peak 283 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 2.679 ppm2 1.271 CV 1 ASSI { 284} (( segid "A " and resid 73 and name HB1 )) (( segid "A " and resid 70 and name HA )) 3.900 1.900 1.900 peak 284 spectrum 1 weight 0.10000E+01 volume 0.27087E-03 ppm1 2.368 ppm2 5.172 CV 1 ASSI { 286} (( segid "A " and resid 95 and name HA )) ( segid "A " and resid 39 and name HD2%) 2.600 2.600 3.400 peak 286 spectrum 1 weight 0.10000E+01 volume 0.32647E-02 ppm1 4.522 ppm2 0.883 CV 1 ASSI { 287} (( segid "A " and resid 74 and name HB2 )) (( segid "A " and resid 74 and name HB1 )) 3.100 3.100 2.900 peak 287 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 3.335 ppm2 2.907 CV 1 ASSI { 288} (( segid "A " and resid 74 and name HB1 )) (( segid "A " and resid 74 and name HA )) 4.100 2.100 1.900 peak 288 spectrum 1 weight 0.10000E+01 volume 0.19395E-03 ppm1 2.907 ppm2 4.514 CV 1 ASSI { 290} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HE1 )) 3.200 1.300 1.300 peak 290 spectrum 1 weight 0.10000E+01 volume 0.79517E-03 ppm1 4.165 ppm2 2.980 CV 1 OR { 290} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HE2 )) ASSI { 291} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HB1 )) 2.000 0.500 0.500 peak 291 spectrum 1 weight 0.10000E+01 volume 0.13350E-01 ppm1 4.164 ppm2 1.921 CV 1 OR { 291} (( segid "A " and resid 75 and name HA )) (( segid "A " and resid 75 and name HB2 )) ASSI { 292} (( segid "A " and resid 75 and name HB2 )) (( segid "A " and resid 75 and name HG1 )) 2.000 0.500 0.500 peak 292 spectrum 1 weight 0.10000E+01 volume 0.12283E-01 ppm1 1.890 ppm2 1.331 CV 1 OR { 292} (( segid "A " and resid 75 and name HB1 )) (( segid "A " and resid 75 and name HG1 )) ASSI { 293} (( segid "A " and resid 76 and name HB )) ( segid "A " and resid 115 and name HE% ) 3.100 1.200 1.200 peak 293 spectrum 1 weight 0.10000E+01 volume 0.10441E-02 ppm1 1.684 ppm2 6.646 CV 1 ASSI { 294} (( segid "A " and resid 76 and name HB )) ( segid "A " and resid 115 and name HD% ) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.23920E-02 ppm1 1.690 ppm2 6.960 CV 1 ASSI { 295} (( segid "A " and resid 76 and name HB )) (( segid "A " and resid 76 and name HA )) 2.800 0.900 0.900 peak 295 spectrum 1 weight 0.10000E+01 volume 0.20882E-02 ppm1 1.688 ppm2 3.821 CV 1 ASSI { 296} ( segid "A " and resid 77 and name HD1%) ( segid "A " and resid 76 and name HG2%) 2.100 0.600 0.600 peak 296 spectrum 1 weight 0.10000E+01 volume 0.99885E-02 ppm1 0.680 ppm2 0.976 CV 1 ASSI { 297} ( segid "A " and resid 77 and name HD1%) (( segid "A " and resid 114 and name HB )) 2.900 1.000 1.000 peak 297 spectrum 1 weight 0.10000E+01 volume 0.16776E-02 ppm1 0.679 ppm2 1.973 CV 1 ASSI { 298} ( segid "A " and resid 77 and name HD1%) (( segid "A " and resid 115 and name HB1 )) 2.600 2.600 3.400 peak 298 spectrum 1 weight 0.10000E+01 volume 0.28962E-02 ppm1 0.680 ppm2 2.970 CV 1 ASSI { 299} ( segid "A " and resid 77 and name HD1%) (( segid "A " and resid 76 and name HA )) 2.400 2.400 3.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.52042E-02 ppm1 0.680 ppm2 3.879 CV 1 ASSI { 300} ( segid "A " and resid 77 and name HD1%) (( segid "A " and resid 111 and name HA )) 2.700 0.900 0.900 peak 300 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 0.680 ppm2 4.353 CV 1 ASSI { 301} ( segid "A " and resid 77 and name HD1%) ( segid "A " and resid 73 and name HE% ) 3.600 1.700 1.700 peak 301 spectrum 1 weight 0.10000E+01 volume 0.38466E-03 ppm1 0.674 ppm2 6.071 CV 1 ASSI { 303} (( segid "A " and resid 36 and name HB )) (( segid "A " and resid 147 and name HA )) 3.100 3.100 2.900 peak 303 spectrum 1 weight 0.10000E+01 volume 0.10021E-02 ppm1 4.524 ppm2 4.161 CV 1 ASSI { 305} (( segid "A " and resid 107 and name HB )) (( segid "A " and resid 110 and name HN )) 2.800 2.800 3.200 peak 305 spectrum 1 weight 0.10000E+01 volume 0.20461E-02 ppm1 4.317 ppm2 8.657 CV 1 ASSI { 307} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 140 and name HB2 )) 2.900 2.900 3.100 peak 307 spectrum 1 weight 0.10000E+01 volume 0.16712E-02 ppm1 2.789 ppm2 1.514 CV 1 ASSI { 308} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 141 and name HD2 )) 2.500 0.800 0.800 peak 308 spectrum 1 weight 0.10000E+01 volume 0.33617E-02 ppm1 2.788 ppm2 3.254 CV 1 OR { 308} (( segid "A " and resid 140 and name HA )) (( segid "A " and resid 141 and name HD1 )) ASSI { 309} (( segid "A " and resid 140 and name HA )) ( segid "A " and resid 41 and name HE% ) 3.000 1.100 1.100 peak 309 spectrum 1 weight 0.10000E+01 volume 0.11863E-02 ppm1 2.789 ppm2 6.621 CV 1 ASSI { 310} ( segid "A " and resid 76 and name HG2%) (( segid "A " and resid 78 and name HE2 )) 3.100 1.200 1.200 peak 310 spectrum 1 weight 0.10000E+01 volume 0.94060E-03 ppm1 0.946 ppm2 3.045 CV 1 OR { 310} ( segid "A " and resid 76 and name HG2%) (( segid "A " and resid 78 and name HE1 )) ASSI { 311} ( segid "A " and resid 76 and name HG2%) ( segid "A " and resid 115 and name HD% ) 2.400 0.700 0.700 peak 311 spectrum 1 weight 0.10000E+01 volume 0.43314E-02 ppm1 0.945 ppm2 6.944 CV 1 ASSI { 312} (( segid "A " and resid 77 and name HA )) (( segid "A " and resid 77 and name HB )) 2.900 1.000 1.000 peak 312 spectrum 1 weight 0.10000E+01 volume 0.15419E-02 ppm1 3.895 ppm2 1.302 CV 1 ASSI { 313} (( segid "A " and resid 77 and name HA )) ( segid "A " and resid 76 and name HG2%) 2.600 0.900 0.900 peak 313 spectrum 1 weight 0.10000E+01 volume 0.28090E-02 ppm1 3.896 ppm2 0.982 CV 1 ASSI { 314} (( segid "A " and resid 77 and name HA )) ( segid "A " and resid 77 and name HD1%) 2.400 0.700 0.700 peak 314 spectrum 1 weight 0.10000E+01 volume 0.44607E-02 ppm1 3.897 ppm2 0.690 CV 1 ASSI { 315} (( segid "A " and resid 77 and name HA )) ( segid "A " and resid 77 and name HG2%) 2.300 0.700 0.700 peak 315 spectrum 1 weight 0.10000E+01 volume 0.59799E-02 ppm1 3.896 ppm2 0.404 CV 1 ASSI { 317} (( segid "A " and resid 77 and name HB )) ( segid "A " and resid 73 and name HE% ) 3.900 1.900 1.900 peak 317 spectrum 1 weight 0.10000E+01 volume 0.27184E-03 ppm1 1.308 ppm2 6.067 CV 1 ASSI { 318} ( segid "A " and resid 77 and name HG2%) ( segid "A " and resid 73 and name HE% ) 2.900 1.000 1.000 peak 318 spectrum 1 weight 0.10000E+01 volume 0.16841E-02 ppm1 0.447 ppm2 6.034 CV 1 ASSI { 320} ( segid "A " and resid 77 and name HG2%) (( segid "A " and resid 73 and name HA )) 3.200 3.200 2.800 peak 320 spectrum 1 weight 0.10000E+01 volume 0.80487E-03 ppm1 0.445 ppm2 3.509 CV 1 ASSI { 321} ( segid "A " and resid 77 and name HG2%) (( segid "A " and resid 115 and name HB2 )) 3.100 1.200 1.200 peak 321 spectrum 1 weight 0.10000E+01 volume 0.11055E-02 ppm1 0.448 ppm2 3.001 CV 1 ASSI { 322} ( segid "A " and resid 77 and name HG2%) (( segid "A " and resid 80 and name HB1 )) 2.800 1.000 1.000 peak 322 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 0.448 ppm2 1.976 CV 1 ASSI { 323} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 80 and name HD1 )) 2.100 0.500 0.500 peak 323 spectrum 1 weight 0.10000E+01 volume 0.11636E-01 ppm1 5.226 ppm2 3.638 CV 1 ASSI { 324} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 79 and name HB1 )) 2.300 0.700 0.700 peak 324 spectrum 1 weight 0.10000E+01 volume 0.58507E-02 ppm1 5.225 ppm2 2.663 CV 1 ASSI { 325} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 80 and name HB1 )) 2.900 2.900 3.100 peak 325 spectrum 1 weight 0.10000E+01 volume 0.16615E-02 ppm1 5.228 ppm2 1.945 CV 1 ASSI { 326} (( segid "A " and resid 79 and name HA )) ( segid "A " and resid 77 and name HG2%) 3.100 1.200 1.200 peak 326 spectrum 1 weight 0.10000E+01 volume 0.10538E-02 ppm1 5.225 ppm2 0.446 CV 1 ASSI { 328} (( segid "A " and resid 81 and name HA )) (( segid "A " and resid 81 and name HB2 )) 3.200 1.300 1.300 peak 328 spectrum 1 weight 0.10000E+01 volume 0.83719E-03 ppm1 5.002 ppm2 1.194 CV 1 ASSI { 329} ( segid "A " and resid 81 and name HE% ) ( segid "A " and resid 86 and name HD1%) 3.300 3.300 2.700 peak 329 spectrum 1 weight 0.10000E+01 volume 0.74345E-03 ppm1 1.993 ppm2 -0.453 CV 1 ASSI { 330} ( segid "A " and resid 81 and name HE% ) ( segid "A " and resid 85 and name HG2%) 2.400 0.700 0.700 peak 330 spectrum 1 weight 0.10000E+01 volume 0.42667E-02 ppm1 1.993 ppm2 0.895 CV 1 ASSI { 331} ( segid "A " and resid 81 and name HE% ) (( segid "A " and resid 86 and name HN )) 4.100 2.100 1.900 peak 331 spectrum 1 weight 0.10000E+01 volume 0.18295E-03 ppm1 1.992 ppm2 7.190 CV 1 ASSI { 332} (( segid "A " and resid 82 and name HA )) (( segid "A " and resid 82 and name HB2 )) 3.000 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.12251E-02 ppm1 4.742 ppm2 2.506 CV 1 ASSI { 334} (( segid "A " and resid 82 and name HB1 )) (( segid "A " and resid 82 and name HA )) 3.000 1.100 1.100 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 2.181 ppm2 4.734 CV 1 ASSI { 336} (( segid "A " and resid 82 and name HB1 )) (( segid "A " and resid 82 and name HB2 )) 3.000 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.11346E-02 ppm1 2.181 ppm2 2.529 CV 1 ASSI { 338} (( segid "A " and resid 83 and name HA )) ( segid "A " and resid 86 and name HD1%) 2.700 0.900 0.900 peak 338 spectrum 1 weight 0.10000E+01 volume 0.24663E-02 ppm1 3.913 ppm2 -0.478 CV 1 ASSI { 339} (( segid "A " and resid 83 and name HB1 )) (( segid "A " and resid 83 and name HG2 )) 4.000 2.000 2.000 peak 339 spectrum 1 weight 0.10000E+01 volume 0.23791E-03 ppm1 2.024 ppm2 2.852 CV 1 ASSI { 340} (( segid "A " and resid 83 and name HB1 )) ( segid "A " and resid 86 and name HD1%) 4.900 2.900 1.100 peak 340 spectrum 1 weight 0.10000E+01 volume 0.69497E-04 ppm1 2.021 ppm2 -0.468 CV 1 ASSI { 342} (( segid "A " and resid 83 and name HG1 )) ( segid "A " and resid 86 and name HD1%) 3.500 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.46546E-03 ppm1 2.831 ppm2 -0.502 CV 1 ASSI { 344} (( segid "A " and resid 83 and name HG1 )) (( segid "A " and resid 51 and name HE3 )) 3.500 1.500 1.500 peak 344 spectrum 1 weight 0.10000E+01 volume 0.52042E-03 ppm1 2.827 ppm2 7.460 CV 1 OR { 344} (( segid "A " and resid 83 and name HG2 )) (( segid "A " and resid 51 and name HE3 )) ASSI { 345} ( segid "A " and resid 83 and name HE% ) ( segid "A " and resid 60 and name HE% ) 2.400 0.700 0.700 peak 345 spectrum 1 weight 0.10000E+01 volume 0.53334E-02 ppm1 2.062 ppm2 6.174 CV 1 ASSI { 346} ( segid "A " and resid 83 and name HE% ) (( segid "A " and resid 51 and name HZ3 )) 4.700 2.700 1.300 peak 346 spectrum 1 weight 0.10000E+01 volume 0.85659E-04 ppm1 2.062 ppm2 6.774 CV 1 ASSI { 347} ( segid "A " and resid 83 and name HE% ) (( segid "A " and resid 51 and name HE3 )) 2.600 0.800 0.800 peak 347 spectrum 1 weight 0.10000E+01 volume 0.32001E-02 ppm1 2.062 ppm2 7.468 CV 1 ASSI { 348} ( segid "A " and resid 83 and name HE% ) ( segid "A " and resid 129 and name HD2%) 3.000 3.000 3.000 peak 348 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 2.064 ppm2 0.490 CV 1 ASSI { 350} (( segid "A " and resid 85 and name HB )) (( segid "A " and resid 86 and name HN )) 3.200 1.200 1.200 peak 350 spectrum 1 weight 0.10000E+01 volume 0.92123E-03 ppm1 4.111 ppm2 7.245 CV 1 ASSI { 351} (( segid "A " and resid 85 and name HB )) ( segid "A " and resid 85 and name HG2%) 2.200 0.600 0.600 peak 351 spectrum 1 weight 0.10000E+01 volume 0.88244E-02 ppm1 4.116 ppm2 0.895 CV 1 ASSI { 353} (( segid "A " and resid 137 and name HA )) ( segid "A " and resid 137 and name HG1%) 2.600 0.800 0.800 peak 353 spectrum 1 weight 0.10000E+01 volume 0.31937E-02 ppm1 3.673 ppm2 0.705 CV 1 ASSI { 355} (( segid "A " and resid 86 and name HA )) (( segid "A " and resid 90 and name HN )) 3.800 1.900 1.900 peak 355 spectrum 1 weight 0.10000E+01 volume 0.27831E-03 ppm1 3.682 ppm2 8.497 CV 1 ASSI { 357} (( segid "A " and resid 86 and name HB )) ( segid "A " and resid 86 and name HG2%) 2.500 0.800 0.800 peak 357 spectrum 1 weight 0.10000E+01 volume 0.36203E-02 ppm1 1.421 ppm2 0.751 CV 1 ASSI { 358} (( segid "A " and resid 86 and name HB )) ( segid "A " and resid 86 and name HD1%) 2.800 1.000 1.000 peak 358 spectrum 1 weight 0.10000E+01 volume 0.18134E-02 ppm1 1.410 ppm2 -0.466 CV 1 ASSI { 359} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 86 and name HN )) 3.200 1.300 1.300 peak 359 spectrum 1 weight 0.10000E+01 volume 0.82103E-03 ppm1 0.764 ppm2 7.212 CV 1 ASSI { 360} ( segid "A " and resid 86 and name HG2%) ( segid "A " and resid 105 and name HE% ) 3.700 1.700 1.700 peak 360 spectrum 1 weight 0.10000E+01 volume 0.36850E-03 ppm1 0.767 ppm2 7.050 CV 1 ASSI { 361} ( segid "A " and resid 86 and name HG2%) (( segid "A " and resid 101 and name HA )) 2.800 2.800 3.200 peak 361 spectrum 1 weight 0.10000E+01 volume 0.19556E-02 ppm1 0.765 ppm2 3.627 CV 1 ASSI { 362} ( segid "A " and resid 86 and name HG2%) ( segid "A " and resid 86 and name HD1%) 2.300 0.600 0.600 peak 362 spectrum 1 weight 0.10000E+01 volume 0.68204E-02 ppm1 0.765 ppm2 -0.475 CV 1 ASSI { 367} (( segid "A " and resid 89 and name HA )) ( segid "A " and resid 94 and name HD% ) 3.200 1.300 1.300 peak 367 spectrum 1 weight 0.10000E+01 volume 0.80487E-03 ppm1 3.799 ppm2 6.368 CV 1 ASSI { 368} (( segid "A " and resid 89 and name HA )) (( segid "A " and resid 92 and name HB2 )) 3.300 1.300 1.300 peak 368 spectrum 1 weight 0.10000E+01 volume 0.76285E-03 ppm1 3.808 ppm2 3.031 CV 1 ASSI { 369} (( segid "A " and resid 89 and name HA )) ( segid "A " and resid 26 and name HG2%) 2.700 0.900 0.900 peak 369 spectrum 1 weight 0.10000E+01 volume 0.21851E-02 ppm1 3.805 ppm2 0.904 CV 1 ASSI { 370} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 90 and name HB1 )) 2.600 0.800 0.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.29188E-02 ppm1 4.416 ppm2 1.388 CV 1 ASSI { 371} (( segid "A " and resid 90 and name HA )) (( segid "A " and resid 90 and name HG )) 2.500 0.800 0.800 peak 371 spectrum 1 weight 0.10000E+01 volume 0.36526E-02 ppm1 4.416 ppm2 0.946 CV 1 ASSI { 372} (( segid "A " and resid 90 and name HB2 )) (( segid "A " and resid 90 and name HG )) 4.800 2.800 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.76931E-04 ppm1 2.325 ppm2 0.980 CV 1 ASSI { 373} (( segid "A " and resid 90 and name HB2 )) (( segid "A " and resid 86 and name HB )) 3.500 3.500 2.500 peak 373 spectrum 1 weight 0.10000E+01 volume 0.45577E-03 ppm1 2.323 ppm2 1.394 CV 1 ASSI { 374} (( segid "A " and resid 50 and name HG )) (( segid "A " and resid 50 and name HA )) 2.700 0.900 0.900 peak 374 spectrum 1 weight 0.10000E+01 volume 0.22433E-02 ppm1 0.977 ppm2 4.121 CV 1 ASSI { 376} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 91 and name HG2 )) 2.600 0.800 0.800 peak 376 spectrum 1 weight 0.10000E+01 volume 0.29091E-02 ppm1 3.957 ppm2 2.559 CV 1 OR { 376} (( segid "A " and resid 91 and name HA )) (( segid "A " and resid 91 and name HG1 )) ASSI { 378} (( segid "A " and resid 146 and name HG2 )) (( segid "A " and resid 146 and name HB1 )) 2.600 0.900 0.900 peak 378 spectrum 1 weight 0.10000E+01 volume 0.27119E-02 ppm1 2.485 ppm2 1.814 CV 1 ASSI { 379} (( segid "A " and resid 92 and name HA )) (( segid "A " and resid 92 and name HB2 )) 2.200 2.200 3.800 peak 379 spectrum 1 weight 0.10000E+01 volume 0.91477E-02 ppm1 4.801 ppm2 3.053 CV 1 ASSI { 380} (( segid "A " and resid 92 and name HA )) (( segid "A " and resid 92 and name HB1 )) 2.400 0.700 0.700 peak 380 spectrum 1 weight 0.10000E+01 volume 0.46869E-02 ppm1 4.799 ppm2 2.731 CV 1 ASSI { 382} (( segid "A " and resid 93 and name HA )) (( segid "A " and resid 93 and name HB2 )) 2.200 0.600 0.600 peak 382 spectrum 1 weight 0.10000E+01 volume 0.87921E-02 ppm1 4.867 ppm2 2.949 CV 1 ASSI { 383} (( segid "A " and resid 93 and name HA )) ( segid "A " and resid 39 and name HD2%) 5.200 3.400 0.800 peak 383 spectrum 1 weight 0.10000E+01 volume 0.46223E-04 ppm1 4.866 ppm2 0.913 CV 1 ASSI { 385} (( segid "A " and resid 93 and name HB2 )) (( segid "A " and resid 93 and name HB1 )) 2.200 0.600 0.600 peak 385 spectrum 1 weight 0.10000E+01 volume 0.71112E-02 ppm1 2.916 ppm2 2.638 CV 1 ASSI { 386} (( segid "A " and resid 93 and name HB1 )) (( segid "A " and resid 93 and name HA )) 2.400 0.700 0.700 peak 386 spectrum 1 weight 0.10000E+01 volume 0.47193E-02 ppm1 2.673 ppm2 4.872 CV 1 ASSI { 389} (( segid "A " and resid 94 and name HA )) (( segid "A " and resid 94 and name HB1 )) 2.400 0.700 0.700 peak 389 spectrum 1 weight 0.10000E+01 volume 0.45577E-02 ppm1 4.069 ppm2 2.200 CV 1 ASSI { 391} (( segid "A " and resid 120 and name HB1 )) (( segid "A " and resid 119 and name HN )) 5.400 3.700 0.600 peak 391 spectrum 1 weight 0.10000E+01 volume 0.36203E-04 ppm1 2.948 ppm2 6.858 CV 1 ASSI { 392} (( segid "A " and resid 94 and name HB1 )) ( segid "A " and resid 94 and name HD% ) 4.100 2.100 1.900 peak 392 spectrum 1 weight 0.10000E+01 volume 0.20138E-03 ppm1 2.131 ppm2 6.377 CV 1 ASSI { 393} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 95 and name HB1 )) 3.300 1.400 1.400 peak 393 spectrum 1 weight 0.10000E+01 volume 0.66587E-03 ppm1 4.524 ppm2 3.190 CV 1 OR { 393} (( segid "A " and resid 95 and name HA )) (( segid "A " and resid 95 and name HB2 )) ASSI { 394} (( segid "A " and resid 95 and name HA )) ( segid "A " and resid 94 and name HD% ) 3.200 1.300 1.300 peak 394 spectrum 1 weight 0.10000E+01 volume 0.77254E-03 ppm1 4.517 ppm2 6.349 CV 1 ASSI { 395} (( segid "A " and resid 95 and name HB2 )) ( segid "A " and resid 39 and name HD2%) 2.700 2.700 3.300 peak 395 spectrum 1 weight 0.10000E+01 volume 0.25601E-02 ppm1 3.218 ppm2 0.893 CV 1 OR { 395} (( segid "A " and resid 95 and name HB1 )) ( segid "A " and resid 39 and name HD2%) ASSI { 396} (( segid "A " and resid 95 and name HB1 )) ( segid "A " and resid 95 and name HE% ) 4.200 4.200 1.800 peak 396 spectrum 1 weight 0.10000E+01 volume 0.16420E-03 ppm1 3.206 ppm2 7.138 CV 1 OR { 396} (( segid "A " and resid 95 and name HB2 )) ( segid "A " and resid 95 and name HE% ) ASSI { 397} (( segid "A " and resid 104 and name HA )) ( segid "A " and resid 86 and name HD1%) 3.200 1.300 1.300 peak 397 spectrum 1 weight 0.10000E+01 volume 0.80487E-03 ppm1 4.497 ppm2 -0.494 CV 1 ASSI { 398} (( segid "A " and resid 96 and name HB2 )) (( segid "A " and resid 96 and name HD1 )) 4.600 2.600 1.400 peak 398 spectrum 1 weight 0.10000E+01 volume 0.96968E-04 ppm1 3.462 ppm2 7.184 CV 1 ASSI { 399} (( segid "A " and resid 97 and name HA )) (( segid "A " and resid 97 and name HB2 )) 2.300 0.700 0.700 peak 399 spectrum 1 weight 0.10000E+01 volume 0.61416E-02 ppm1 5.075 ppm2 4.064 CV 1 ASSI { 400} (( segid "A " and resid 97 and name HA )) (( segid "A " and resid 97 and name HB1 )) 2.500 0.800 0.800 peak 400 spectrum 1 weight 0.10000E+01 volume 0.35879E-02 ppm1 5.076 ppm2 3.641 CV 1 ASSI { 401} (( segid "A " and resid 97 and name HA )) ( segid "A " and resid 98 and name HB% ) 3.200 1.300 1.300 peak 401 spectrum 1 weight 0.10000E+01 volume 0.77577E-03 ppm1 5.075 ppm2 1.384 CV 1 ASSI { 404} (( segid "A " and resid 97 and name HB2 )) (( segid "A " and resid 97 and name HB1 )) 2.600 0.900 0.900 peak 404 spectrum 1 weight 0.10000E+01 volume 0.27993E-02 ppm1 4.057 ppm2 3.639 CV 1 ASSI { 405} (( segid "A " and resid 97 and name HB2 )) (( segid "A " and resid 100 and name HB1 )) 3.800 3.800 2.200 peak 405 spectrum 1 weight 0.10000E+01 volume 0.29997E-03 ppm1 4.052 ppm2 2.503 CV 1 ASSI { 407} (( segid "A " and resid 98 and name HA )) (( segid "A " and resid 101 and name HN )) 3.300 1.400 1.400 peak 407 spectrum 1 weight 0.10000E+01 volume 0.68850E-03 ppm1 3.916 ppm2 6.467 CV 1 ASSI { 408} (( segid "A " and resid 98 and name HA )) ( segid "A " and resid 102 and name HE% ) 2.900 2.900 3.100 peak 408 spectrum 1 weight 0.10000E+01 volume 0.14934E-02 ppm1 3.917 ppm2 1.904 CV 1 ASSI { 409} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 42 and name HB2 )) 2.800 2.800 3.200 peak 409 spectrum 1 weight 0.10000E+01 volume 0.18748E-02 ppm1 1.398 ppm2 2.887 CV 1 ASSI { 410} ( segid "A " and resid 98 and name HB% ) (( segid "A " and resid 42 and name HG2 )) 3.800 1.800 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.29350E-03 ppm1 1.395 ppm2 3.139 CV 1 ASSI { 411} ( segid "A " and resid 128 and name HB% ) (( segid "A " and resid 128 and name HA )) 2.000 0.500 0.500 peak 411 spectrum 1 weight 0.10000E+01 volume 0.16291E-01 ppm1 1.786 ppm2 4.203 CV 1 ASSI { 414} (( segid "A " and resid 62 and name HA )) (( segid "A " and resid 62 and name HB1 )) 3.400 3.400 2.600 peak 414 spectrum 1 weight 0.10000E+01 volume 0.63355E-03 ppm1 4.170 ppm2 2.305 CV 1 ASSI { 416} (( segid "A " and resid 101 and name HA )) ( segid "A " and resid 95 and name HE% ) 3.500 1.500 1.500 peak 416 spectrum 1 weight 0.10000E+01 volume 0.48809E-03 ppm1 3.662 ppm2 7.208 CV 1 ASSI { 418} (( segid "A " and resid 101 and name HA )) (( segid "A " and resid 101 and name HB1 )) 2.500 0.800 0.800 peak 418 spectrum 1 weight 0.10000E+01 volume 0.36526E-02 ppm1 3.671 ppm2 1.839 CV 1 ASSI { 420} (( segid "A " and resid 101 and name HB2 )) (( segid "A " and resid 101 and name HB1 )) 3.100 3.100 2.900 peak 420 spectrum 1 weight 0.10000E+01 volume 0.94383E-03 ppm1 2.645 ppm2 1.860 CV 1 ASSI { 421} (( segid "A " and resid 101 and name HB1 )) (( segid "A " and resid 103 and name HN )) 2.900 2.900 3.100 peak 421 spectrum 1 weight 0.10000E+01 volume 0.14417E-02 ppm1 1.798 ppm2 7.843 CV 1 ASSI { 422} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 105 and name HB2 )) 3.200 1.300 1.300 peak 422 spectrum 1 weight 0.10000E+01 volume 0.85659E-03 ppm1 4.346 ppm2 2.852 CV 1 ASSI { 423} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 101 and name HB2 )) 3.200 1.300 1.300 peak 423 spectrum 1 weight 0.10000E+01 volume 0.88244E-03 ppm1 4.347 ppm2 2.615 CV 1 ASSI { 424} (( segid "A " and resid 102 and name HA )) (( segid "A " and resid 102 and name HG1 )) 2.800 1.000 1.000 peak 424 spectrum 1 weight 0.10000E+01 volume 0.20558E-02 ppm1 4.342 ppm2 2.348 CV 1 ASSI { 426} (( segid "A " and resid 100 and name HB2 )) ( segid "A " and resid 95 and name HE% ) 3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.32195E-03 ppm1 2.575 ppm2 7.190 CV 1 ASSI { 427} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 106 and name HB1 )) 2.400 0.700 0.700 peak 427 spectrum 1 weight 0.10000E+01 volume 0.47517E-02 ppm1 4.246 ppm2 3.012 CV 1 ASSI { 428} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 54 and name HB1 )) 2.100 0.600 0.600 peak 428 spectrum 1 weight 0.10000E+01 volume 0.92768E-02 ppm1 4.243 ppm2 2.286 CV 1 OR { 428} (( segid "A " and resid 54 and name HA )) (( segid "A " and resid 54 and name HB2 )) ASSI { 429} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 104 and name HB1 )) 2.200 2.200 3.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.89861E-02 ppm1 4.241 ppm2 2.643 CV 1 ASSI { 430} (( segid "A " and resid 103 and name HA )) (( segid "A " and resid 106 and name HN )) 4.100 2.100 1.900 peak 430 spectrum 1 weight 0.10000E+01 volume 0.20202E-03 ppm1 4.252 ppm2 8.470 CV 1 ASSI { 431} (( segid "A " and resid 104 and name HA )) (( segid "A " and resid 104 and name HB2 )) 3.200 1.300 1.300 peak 431 spectrum 1 weight 0.10000E+01 volume 0.81456E-03 ppm1 4.509 ppm2 2.932 CV 1 ASSI { 432} (( segid "A " and resid 105 and name HA )) (( segid "A " and resid 105 and name HB1 )) 3.000 1.100 1.100 peak 432 spectrum 1 weight 0.10000E+01 volume 0.13673E-02 ppm1 3.467 ppm2 2.055 CV 1 ASSI { 433} (( segid "A " and resid 105 and name HA )) ( segid "A " and resid 50 and name HD1%) 3.000 3.000 3.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.12607E-02 ppm1 3.480 ppm2 0.941 CV 1 ASSI { 434} (( segid "A " and resid 105 and name HA )) ( segid "A " and resid 86 and name HD1%) 2.600 0.900 0.900 peak 434 spectrum 1 weight 0.10000E+01 volume 0.26344E-02 ppm1 3.470 ppm2 -0.479 CV 1 ASSI { 435} (( segid "A " and resid 105 and name HB1 )) (( segid "A " and resid 104 and name HB2 )) 4.600 2.600 1.400 peak 435 spectrum 1 weight 0.10000E+01 volume 0.10085E-03 ppm1 2.083 ppm2 2.932 CV 1 ASSI { 438} (( segid "A " and resid 106 and name HA )) (( segid "A " and resid 106 and name HB2 )) 2.100 0.500 0.500 peak 438 spectrum 1 weight 0.10000E+01 volume 0.11539E-01 ppm1 4.698 ppm2 3.014 CV 1 ASSI { 441} (( segid "A " and resid 107 and name HA )) (( segid "A " and resid 106 and name HD22)) 4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.22271E-03 ppm1 3.827 ppm2 7.028 CV 1 ASSI { 442} (( segid "A " and resid 123 and name HA )) ( segid "A " and resid 126 and name HB% ) 2.700 0.900 0.900 peak 442 spectrum 1 weight 0.10000E+01 volume 0.22239E-02 ppm1 3.832 ppm2 1.897 CV 1 ASSI { 443} (( segid "A " and resid 107 and name HA )) ( segid "A " and resid 107 and name HG2%) 2.300 0.700 0.700 peak 443 spectrum 1 weight 0.10000E+01 volume 0.54305E-02 ppm1 3.829 ppm2 1.314 CV 1 ASSI { 444} (( segid "A " and resid 107 and name HB )) (( segid "A " and resid 107 and name HA )) 2.300 0.700 0.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.60769E-02 ppm1 4.317 ppm2 3.841 CV 1 ASSI { 445} (( segid "A " and resid 107 and name HB )) (( segid "A " and resid 111 and name HB2 )) 3.600 3.600 2.400 peak 445 spectrum 1 weight 0.10000E+01 volume 0.44607E-03 ppm1 4.321 ppm2 2.902 CV 1 ASSI { 447} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HG2 )) 3.100 1.200 1.200 peak 447 spectrum 1 weight 0.10000E+01 volume 0.11216E-02 ppm1 3.562 ppm2 2.553 CV 1 OR { 447} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HG1 )) ASSI { 448} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB2 )) 3.200 1.300 1.300 peak 448 spectrum 1 weight 0.10000E+01 volume 0.87598E-03 ppm1 3.562 ppm2 2.057 CV 1 OR { 448} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 108 and name HB1 )) ASSI { 449} (( segid "A " and resid 108 and name HA )) (( segid "A " and resid 81 and name HB2 )) 2.600 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.26893E-02 ppm1 3.561 ppm2 1.220 CV 1 ASSI { 450} (( segid "A " and resid 108 and name HB2 )) ( segid "A " and resid 86 and name HG2%) 4.200 2.200 1.800 peak 450 spectrum 1 weight 0.10000E+01 volume 0.17067E-03 ppm1 2.013 ppm2 0.793 CV 1 OR { 450} (( segid "A " and resid 108 and name HB1 )) ( segid "A " and resid 86 and name HG2%) ASSI { 451} (( segid "A " and resid 109 and name HA )) (( segid "A " and resid 109 and name HN )) 3.100 1.200 1.200 peak 451 spectrum 1 weight 0.10000E+01 volume 0.99885E-03 ppm1 3.843 ppm2 8.105 CV 1 ASSI { 452} (( segid "A " and resid 111 and name HB2 )) ( segid "A " and resid 77 and name HD1%) 3.500 1.500 1.500 peak 452 spectrum 1 weight 0.10000E+01 volume 0.49132E-03 ppm1 2.935 ppm2 0.679 CV 1 ASSI { 453} ( segid "A " and resid 110 and name HG2%) (( segid "A " and resid 110 and name HA )) 2.300 0.600 0.600 peak 453 spectrum 1 weight 0.10000E+01 volume 0.68527E-02 ppm1 1.429 ppm2 3.865 CV 1 ASSI { 454} (( segid "A " and resid 111 and name HA )) (( segid "A " and resid 111 and name HB1 )) 2.800 2.800 3.200 peak 454 spectrum 1 weight 0.10000E+01 volume 0.18813E-02 ppm1 4.319 ppm2 2.662 CV 1 ASSI { 455} (( segid "A " and resid 111 and name HB1 )) ( segid "A " and resid 77 and name HG2%) 4.000 2.000 2.000 peak 455 spectrum 1 weight 0.10000E+01 volume 0.21754E-03 ppm1 2.604 ppm2 0.423 CV 1 ASSI { 456} (( segid "A " and resid 112 and name HB2 )) ( segid "A " and resid 113 and name HD% ) 3.900 1.900 1.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.25342E-03 ppm1 3.180 ppm2 7.092 CV 1 ASSI { 457} (( segid "A " and resid 112 and name HB1 )) (( segid "A " and resid 112 and name HB2 )) 4.900 4.900 1.100 peak 457 spectrum 1 weight 0.10000E+01 volume 0.62385E-04 ppm1 3.064 ppm2 3.157 CV 1 ASSI { 458} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 113 and name HB2 )) 3.100 1.200 1.200 peak 458 spectrum 1 weight 0.10000E+01 volume 0.11152E-02 ppm1 4.800 ppm2 3.360 CV 1 ASSI { 459} (( segid "A " and resid 113 and name HA )) (( segid "A " and resid 123 and name HA )) 3.600 1.600 1.600 peak 459 spectrum 1 weight 0.10000E+01 volume 0.43314E-03 ppm1 4.800 ppm2 3.831 CV 1 ASSI { 463} (( segid "A " and resid 114 and name HA )) (( segid "A " and resid 114 and name HB )) 2.700 0.900 0.900 peak 463 spectrum 1 weight 0.10000E+01 volume 0.23564E-02 ppm1 4.020 ppm2 1.892 CV 1 ASSI { 464} (( segid "A " and resid 114 and name HB )) (( segid "A " and resid 111 and name HA )) 2.700 0.900 0.900 peak 464 spectrum 1 weight 0.10000E+01 volume 0.21883E-02 ppm1 1.935 ppm2 4.296 CV 1 ASSI { 465} (( segid "A " and resid 114 and name HG11)) (( segid "A " and resid 114 and name HA )) 2.600 0.900 0.900 peak 465 spectrum 1 weight 0.10000E+01 volume 0.27087E-02 ppm1 1.827 ppm2 4.046 CV 1 ASSI { 466} (( segid "A " and resid 127 and name HB1 )) (( segid "A " and resid 127 and name HA )) 2.800 0.900 0.900 peak 466 spectrum 1 weight 0.10000E+01 volume 0.20719E-02 ppm1 1.870 ppm2 4.118 CV 1 ASSI { 467} ( segid "A " and resid 114 and name HG2%) (( segid "A " and resid 114 and name HB )) 2.500 0.800 0.800 peak 467 spectrum 1 weight 0.10000E+01 volume 0.36203E-02 ppm1 0.844 ppm2 1.925 CV 1 ASSI { 468} ( segid "A " and resid 114 and name HG2%) ( segid "A " and resid 115 and name HD% ) 3.400 1.500 1.500 peak 468 spectrum 1 weight 0.10000E+01 volume 0.54628E-03 ppm1 0.840 ppm2 6.933 CV 1 ASSI { 469} ( segid "A " and resid 132 and name HD1%) (( segid "A " and resid 53 and name HA )) 3.000 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.13220E-02 ppm1 0.886 ppm2 4.099 CV 1 ASSI { 470} ( segid "A " and resid 132 and name HD1%) (( segid "A " and resid 129 and name HA )) 2.700 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.21528E-02 ppm1 0.876 ppm2 3.722 CV 1 ASSI { 471} (( segid "A " and resid 115 and name HA )) ( segid "A " and resid 76 and name HG2%) 2.100 2.100 3.900 peak 471 spectrum 1 weight 0.10000E+01 volume 0.10990E-01 ppm1 4.031 ppm2 0.895 CV 1 ASSI { 473} (( segid "A " and resid 116 and name HA )) ( segid "A " and resid 122 and name HG2%) 3.300 1.300 1.300 peak 473 spectrum 1 weight 0.10000E+01 volume 0.72729E-03 ppm1 4.682 ppm2 0.846 CV 1 ASSI { 474} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 142 and name HA )) 2.300 2.300 3.700 peak 474 spectrum 1 weight 0.10000E+01 volume 0.54951E-02 ppm1 4.517 ppm2 3.839 CV 1 ASSI { 475} (( segid "A " and resid 44 and name HA )) (( segid "A " and resid 48 and name HG1 )) 2.600 0.800 0.800 peak 475 spectrum 1 weight 0.10000E+01 volume 0.32647E-02 ppm1 4.519 ppm2 1.421 CV 1 ASSI { 476} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 118 and name HB2 )) 2.200 0.600 0.600 peak 476 spectrum 1 weight 0.10000E+01 volume 0.78871E-02 ppm1 4.342 ppm2 2.433 CV 1 ASSI { 477} (( segid "A " and resid 118 and name HA )) (( segid "A " and resid 118 and name HB1 )) 2.500 0.800 0.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.38142E-02 ppm1 4.341 ppm2 1.932 CV 1 ASSI { 478} (( segid "A " and resid 118 and name HA )) ( segid "A " and resid 123 and name HG2%) 2.200 0.600 0.600 peak 478 spectrum 1 weight 0.10000E+01 volume 0.86952E-02 ppm1 4.341 ppm2 1.080 CV 1 ASSI { 479} (( segid "A " and resid 29 and name HB1 )) (( segid "A " and resid 29 and name HD1 )) 2.900 1.100 1.100 peak 479 spectrum 1 weight 0.10000E+01 volume 0.15095E-02 ppm1 1.973 ppm2 3.737 CV 1 ASSI { 481} (( segid "A " and resid 119 and name HA )) ( segid "A " and resid 119 and name HG2%) 1.800 0.400 0.400 peak 481 spectrum 1 weight 0.10000E+01 volume 0.25666E-01 ppm1 4.236 ppm2 1.175 CV 1 ASSI { 482} (( segid "A " and resid 119 and name HB )) (( segid "A " and resid 119 and name HA )) 2.000 2.000 4.000 peak 482 spectrum 1 weight 0.10000E+01 volume 0.15742E-01 ppm1 4.558 ppm2 4.191 CV 1 ASSI { 483} ( segid "A " and resid 119 and name HG2%) (( segid "A " and resid 119 and name HB )) 1.900 0.400 0.400 peak 483 spectrum 1 weight 0.10000E+01 volume 0.21948E-01 ppm1 1.176 ppm2 4.554 CV 1 ASSI { 486} (( segid "A " and resid 121 and name HA )) (( segid "A " and resid 124 and name HB2 )) 3.300 1.300 1.300 peak 486 spectrum 1 weight 0.10000E+01 volume 0.74345E-03 ppm1 4.218 ppm2 1.832 CV 1 ASSI { 487} (( segid "A " and resid 121 and name HA )) ( segid "A " and resid 124 and name HD1%) 2.300 0.600 0.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.66587E-02 ppm1 4.219 ppm2 0.885 CV 1 ASSI { 488} (( segid "A " and resid 122 and name HA )) (( segid "A " and resid 122 and name HG12)) 3.800 1.800 1.800 peak 488 spectrum 1 weight 0.10000E+01 volume 0.29091E-03 ppm1 4.141 ppm2 1.369 CV 1 ASSI { 490} (( segid "A " and resid 122 and name HB )) (( segid "A " and resid 122 and name HA )) 2.900 1.100 1.100 peak 490 spectrum 1 weight 0.10000E+01 volume 0.13802E-02 ppm1 1.759 ppm2 4.130 CV 1 ASSI { 491} (( segid "A " and resid 122 and name HB )) ( segid "A " and resid 122 and name HG2%) 2.600 0.900 0.900 peak 491 spectrum 1 weight 0.10000E+01 volume 0.27313E-02 ppm1 1.748 ppm2 0.835 CV 1 ASSI { 493} ( segid "A " and resid 122 and name HD1%) ( segid "A " and resid 59 and name HE% ) 3.000 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.12477E-02 ppm1 0.513 ppm2 7.028 CV 1 ASSI { 494} (( segid "A " and resid 122 and name HG12)) (( segid "A " and resid 112 and name HA )) 4.300 2.300 1.700 peak 494 spectrum 1 weight 0.10000E+01 volume 0.15160E-03 ppm1 1.341 ppm2 4.210 CV 1 ASSI { 495} ( segid "A " and resid 122 and name HG2%) (( segid "A " and resid 122 and name HA )) 3.000 3.000 3.000 peak 495 spectrum 1 weight 0.10000E+01 volume 0.13705E-02 ppm1 0.844 ppm2 4.095 CV 1 ASSI { 496} (( segid "A " and resid 110 and name HA )) ( segid "A " and resid 113 and name HD% ) 2.300 0.700 0.700 peak 496 spectrum 1 weight 0.10000E+01 volume 0.54305E-02 ppm1 3.893 ppm2 7.037 CV 1 ASSI { 498} (( segid "A " and resid 110 and name HA )) (( segid "A " and resid 110 and name HN )) 3.100 1.200 1.200 peak 498 spectrum 1 weight 0.10000E+01 volume 0.98261E-03 ppm1 3.900 ppm2 8.651 CV 1 ASSI { 499} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 118 and name HA )) 3.200 3.200 2.800 peak 499 spectrum 1 weight 0.10000E+01 volume 0.90830E-03 ppm1 1.144 ppm2 4.405 CV 1 ASSI { 500} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 113 and name HA )) 3.200 3.200 2.800 peak 500 spectrum 1 weight 0.10000E+01 volume 0.81133E-03 ppm1 1.139 ppm2 4.851 CV 1 ASSI { 501} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 123 and name HA )) 2.300 0.700 0.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.60769E-02 ppm1 1.141 ppm2 3.829 CV 1 ASSI { 502} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 116 and name HB2 )) 2.400 0.700 0.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.53334E-02 ppm1 1.142 ppm2 2.759 CV 1 OR { 502} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 116 and name HB1 )) ASSI { 503} ( segid "A " and resid 123 and name HG2%) (( segid "A " and resid 123 and name HA )) 2.500 0.800 0.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.38142E-02 ppm1 1.050 ppm2 3.821 CV 1 ASSI { 504} ( segid "A " and resid 123 and name HG2%) (( segid "A " and resid 123 and name HB )) 2.400 0.700 0.700 peak 504 spectrum 1 weight 0.10000E+01 volume 0.52688E-02 ppm1 1.049 ppm2 2.290 CV 1 ASSI { 505} ( segid "A " and resid 123 and name HG2%) (( segid "A " and resid 116 and name HB2 )) 3.600 1.600 1.600 peak 505 spectrum 1 weight 0.10000E+01 volume 0.40081E-03 ppm1 1.050 ppm2 2.760 CV 1 OR { 505} ( segid "A " and resid 123 and name HG2%) (( segid "A " and resid 116 and name HB1 )) ASSI { 506} (( segid "A " and resid 124 and name HB2 )) (( segid "A " and resid 124 and name HA )) 2.600 0.800 0.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.29414E-02 ppm1 1.796 ppm2 4.124 CV 1 ASSI { 507} (( segid "A " and resid 124 and name HB1 )) (( segid "A " and resid 124 and name HA )) 2.600 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.30352E-02 ppm1 1.573 ppm2 4.117 CV 1 ASSI { 508} (( segid "A " and resid 124 and name HB1 )) (( segid "A " and resid 124 and name HB2 )) 2.100 0.500 0.500 peak 508 spectrum 1 weight 0.10000E+01 volume 0.12154E-01 ppm1 1.571 ppm2 1.829 CV 1 ASSI { 510} (( segid "A " and resid 77 and name HG11)) (( segid "A " and resid 114 and name HN )) 3.100 3.100 2.900 peak 510 spectrum 1 weight 0.10000E+01 volume 0.93414E-03 ppm1 0.889 ppm2 8.674 CV 1 ASSI { 511} ( segid "A " and resid 124 and name HD2%) (( segid "A " and resid 124 and name HA )) 2.200 0.600 0.600 peak 511 spectrum 1 weight 0.10000E+01 volume 0.80487E-02 ppm1 0.861 ppm2 4.113 CV 1 ASSI { 512} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 125 and name HG1 )) 2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.39435E-02 ppm1 3.748 ppm2 2.329 CV 1 OR { 512} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 125 and name HG2 )) ASSI { 513} (( segid "A " and resid 125 and name HA )) ( segid "A " and resid 123 and name HG2%) 3.400 3.400 2.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.61739E-03 ppm1 3.752 ppm2 1.093 CV 1 ASSI { 515} (( segid "A " and resid 125 and name HA )) (( segid "A " and resid 55 and name HA )) 3.800 1.800 1.800 peak 515 spectrum 1 weight 0.10000E+01 volume 0.28671E-03 ppm1 3.741 ppm2 5.253 CV 1 ASSI { 518} ( segid "A " and resid 125 and name HE% ) (( segid "A " and resid 57 and name HD1 )) 2.700 0.900 0.900 peak 518 spectrum 1 weight 0.10000E+01 volume 0.21108E-02 ppm1 1.799 ppm2 7.657 CV 1 ASSI { 519} ( segid "A " and resid 125 and name HE% ) ( segid "A " and resid 124 and name HD2%) 3.200 3.200 2.800 peak 519 spectrum 1 weight 0.10000E+01 volume 0.85659E-03 ppm1 1.800 ppm2 0.860 CV 1 ASSI { 520} (( segid "A " and resid 126 and name HA )) ( segid "A " and resid 109 and name HE% ) 3.000 1.200 1.200 peak 520 spectrum 1 weight 0.10000E+01 volume 0.11572E-02 ppm1 3.849 ppm2 6.453 CV 1 ASSI { 521} (( segid "A " and resid 126 and name HA )) ( segid "A " and resid 109 and name HD% ) 4.100 2.100 1.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.19071E-03 ppm1 3.855 ppm2 6.881 CV 1 ASSI { 522} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 129 and name HN )) 4.400 2.400 1.600 peak 522 spectrum 1 weight 0.10000E+01 volume 0.12736E-03 ppm1 3.847 ppm2 7.835 CV 1 ASSI { 523} (( segid "A " and resid 126 and name HA )) (( segid "A " and resid 126 and name HN )) 3.200 1.300 1.300 peak 523 spectrum 1 weight 0.10000E+01 volume 0.79517E-03 ppm1 3.851 ppm2 8.576 CV 1 ASSI { 524} ( segid "A " and resid 126 and name HB% ) ( segid "A " and resid 113 and name HE% ) 2.100 0.500 0.500 peak 524 spectrum 1 weight 0.10000E+01 volume 0.11119E-01 ppm1 1.896 ppm2 6.977 CV 1 ASSI { 525} ( segid "A " and resid 126 and name HB% ) (( segid "A " and resid 127 and name HE21)) 2.700 2.700 3.300 peak 525 spectrum 1 weight 0.10000E+01 volume 0.24501E-02 ppm1 1.896 ppm2 7.409 CV 1 ASSI { 527} (( segid "A " and resid 127 and name HB2 )) (( segid "A " and resid 125 and name HA )) 3.000 3.000 3.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.12283E-02 ppm1 2.294 ppm2 3.727 CV 1 ASSI { 528} (( segid "A " and resid 135 and name HB2 )) (( segid "A " and resid 135 and name HA )) 2.800 1.000 1.000 peak 528 spectrum 1 weight 0.10000E+01 volume 0.20202E-02 ppm1 2.293 ppm2 4.041 CV 1 ASSI { 530} (( segid "A " and resid 128 and name HA )) (( segid "A " and resid 129 and name HN )) 2.900 1.000 1.000 peak 530 spectrum 1 weight 0.10000E+01 volume 0.16000E-02 ppm1 4.200 ppm2 7.892 CV 1 ASSI { 531} (( segid "A " and resid 129 and name HA )) (( segid "A " and resid 129 and name HN )) 2.700 0.900 0.900 peak 531 spectrum 1 weight 0.10000E+01 volume 0.23984E-02 ppm1 3.714 ppm2 7.846 CV 1 ASSI { 532} (( segid "A " and resid 129 and name HA )) ( segid "A " and resid 109 and name HE% ) 3.700 1.700 1.700 peak 532 spectrum 1 weight 0.10000E+01 volume 0.37173E-03 ppm1 3.721 ppm2 6.435 CV 1 ASSI { 533} (( segid "A " and resid 129 and name HA )) ( segid "A " and resid 129 and name HD1%) 3.000 1.100 1.100 peak 533 spectrum 1 weight 0.10000E+01 volume 0.13350E-02 ppm1 3.714 ppm2 0.535 CV 1 ASSI { 534} (( segid "A " and resid 129 and name HB2 )) (( segid "A " and resid 129 and name HN )) 3.800 1.800 1.800 peak 534 spectrum 1 weight 0.10000E+01 volume 0.29900E-03 ppm1 1.912 ppm2 7.836 CV 1 ASSI { 535} (( segid "A " and resid 129 and name HB2 )) (( segid "A " and resid 130 and name HN )) 4.200 2.200 1.800 peak 535 spectrum 1 weight 0.10000E+01 volume 0.17358E-03 ppm1 1.893 ppm2 9.114 CV 1 ASSI { 536} (( segid "A " and resid 129 and name HB2 )) ( segid "A " and resid 109 and name HE% ) 3.500 1.500 1.500 peak 536 spectrum 1 weight 0.10000E+01 volume 0.50425E-03 ppm1 1.909 ppm2 6.426 CV 1 ASSI { 537} (( segid "A " and resid 129 and name HB1 )) ( segid "A " and resid 109 and name HE% ) 3.300 1.400 1.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.66264E-03 ppm1 1.395 ppm2 6.458 CV 1 ASSI { 539} (( segid "A " and resid 129 and name HB1 )) (( segid "A " and resid 130 and name HN )) 5.300 3.600 0.700 peak 539 spectrum 1 weight 0.10000E+01 volume 0.39435E-04 ppm1 1.396 ppm2 9.098 CV 1 ASSI { 540} (( segid "A " and resid 129 and name HG )) (( segid "A " and resid 56 and name HA )) 2.700 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.25342E-02 ppm1 0.641 ppm2 4.196 CV 1 ASSI { 541} (( segid "A " and resid 129 and name HG )) ( segid "A " and resid 109 and name HE% ) 3.600 1.600 1.600 peak 541 spectrum 1 weight 0.10000E+01 volume 0.39758E-03 ppm1 0.640 ppm2 6.422 CV 1 ASSI { 542} (( segid "A " and resid 129 and name HG )) ( segid "A " and resid 128 and name HB% ) 2.300 2.300 3.700 peak 542 spectrum 1 weight 0.10000E+01 volume 0.60446E-02 ppm1 0.642 ppm2 1.830 CV 1 ASSI { 543} ( segid "A " and resid 129 and name HD1%) (( segid "A " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 543 spectrum 1 weight 0.10000E+01 volume 0.35556E-02 ppm1 0.543 ppm2 3.107 CV 1 OR { 543} ( segid "A " and resid 129 and name HD1%) (( segid "A " and resid 53 and name HB2 )) ASSI { 544} ( segid "A " and resid 129 and name HD2%) (( segid "A " and resid 56 and name HA )) 2.600 0.900 0.900 peak 544 spectrum 1 weight 0.10000E+01 volume 0.27993E-02 ppm1 0.543 ppm2 4.181 CV 1 ASSI { 545} ( segid "A " and resid 129 and name HD2%) ( segid "A " and resid 109 and name HE% ) 3.400 1.400 1.400 peak 545 spectrum 1 weight 0.10000E+01 volume 0.60769E-03 ppm1 0.537 ppm2 6.427 CV 1 ASSI { 546} ( segid "A " and resid 129 and name HD2%) ( segid "A " and resid 113 and name HE% ) 3.300 3.300 2.700 peak 546 spectrum 1 weight 0.10000E+01 volume 0.72729E-03 ppm1 0.544 ppm2 6.984 CV 1 OR { 546} ( segid "A " and resid 129 and name HD1%) ( segid "A " and resid 113 and name HE% ) ASSI { 547} ( segid "A " and resid 129 and name HD1%) ( segid "A " and resid 128 and name HB% ) 2.600 0.800 0.800 peak 547 spectrum 1 weight 0.10000E+01 volume 0.29447E-02 ppm1 0.543 ppm2 1.830 CV 1 ASSI { 548} (( segid "A " and resid 130 and name HA )) (( segid "A " and resid 50 and name HG )) 3.400 1.400 1.400 peak 548 spectrum 1 weight 0.10000E+01 volume 0.58507E-03 ppm1 3.198 ppm2 1.010 CV 1 ASSI { 549} (( segid "A " and resid 130 and name HA )) ( segid "A " and resid 134 and name HD1%) 3.000 3.000 3.000 peak 549 spectrum 1 weight 0.10000E+01 volume 0.12413E-02 ppm1 3.202 ppm2 2.014 CV 1 ASSI { 550} (( segid "A " and resid 130 and name HA )) ( segid "A " and resid 109 and name HE% ) 3.400 1.400 1.400 peak 550 spectrum 1 weight 0.10000E+01 volume 0.62385E-03 ppm1 3.202 ppm2 6.423 CV 1 ASSI { 552} (( segid "A " and resid 131 and name HA )) (( segid "A " and resid 134 and name HG )) 2.500 0.800 0.800 peak 552 spectrum 1 weight 0.10000E+01 volume 0.41698E-02 ppm1 3.919 ppm2 0.896 CV 1 ASSI { 553} (( segid "A " and resid 131 and name HE2 )) (( segid "A " and resid 131 and name HD2 )) 1.700 0.400 0.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.39112E-01 ppm1 2.933 ppm2 1.692 CV 1 OR { 553} (( segid "A " and resid 131 and name HE1 )) (( segid "A " and resid 131 and name HD1 )) OR { 553} (( segid "A " and resid 131 and name HE2 )) (( segid "A " and resid 131 and name HD1 )) ASSI { 554} (( segid "A " and resid 132 and name HA )) (( segid "A " and resid 135 and name HB2 )) 3.100 3.100 2.900 peak 554 spectrum 1 weight 0.10000E+01 volume 0.10376E-02 ppm1 3.818 ppm2 2.355 CV 1 ASSI { 555} (( segid "A " and resid 132 and name HB )) ( segid "A " and resid 132 and name HG2%) 2.100 0.500 0.500 peak 555 spectrum 1 weight 0.10000E+01 volume 0.11507E-01 ppm1 1.918 ppm2 0.925 CV 1 ASSI { 556} ( segid "A " and resid 132 and name HG2%) (( segid "A " and resid 136 and name HE2 )) 3.500 1.500 1.500 peak 556 spectrum 1 weight 0.10000E+01 volume 0.49132E-03 ppm1 0.919 ppm2 2.842 CV 1 ASSI { 558} (( segid "A " and resid 134 and name HA )) ( segid "A " and resid 133 and name HD% ) 3.700 1.700 1.700 peak 558 spectrum 1 weight 0.10000E+01 volume 0.35556E-03 ppm1 3.654 ppm2 6.645 CV 1 ASSI { 559} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 134 and name HB2 )) 2.600 0.800 0.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.28865E-02 ppm1 3.655 ppm2 1.856 CV 1 ASSI { 560} (( segid "A " and resid 134 and name HA )) ( segid "A " and resid 137 and name HG2%) 2.400 0.700 0.700 peak 560 spectrum 1 weight 0.10000E+01 volume 0.45577E-02 ppm1 3.656 ppm2 0.415 CV 1 ASSI { 561} (( segid "A " and resid 134 and name HA )) (( segid "A " and resid 134 and name HB1 )) 4.600 2.700 1.400 peak 561 spectrum 1 weight 0.10000E+01 volume 0.93091E-04 ppm1 3.656 ppm2 1.327 CV 1 ASSI { 563} (( segid "A " and resid 134 and name HB2 )) (( segid "A " and resid 134 and name HG )) 2.400 0.700 0.700 peak 563 spectrum 1 weight 0.10000E+01 volume 0.46869E-02 ppm1 1.867 ppm2 0.952 CV 1 ASSI { 564} (( segid "A " and resid 134 and name HB1 )) (( segid "A " and resid 134 and name HB2 )) 2.300 0.700 0.700 peak 564 spectrum 1 weight 0.10000E+01 volume 0.54628E-02 ppm1 1.350 ppm2 1.840 CV 1 ASSI { 565} (( segid "A " and resid 77 and name HG11)) (( segid "A " and resid 111 and name HA )) 2.800 1.000 1.000 peak 565 spectrum 1 weight 0.10000E+01 volume 0.19395E-02 ppm1 0.901 ppm2 4.321 CV 1 ASSI { 566} ( segid "A " and resid 134 and name HD1%) ( segid "A " and resid 133 and name HD% ) 4.600 2.700 1.400 peak 566 spectrum 1 weight 0.10000E+01 volume 0.93737E-04 ppm1 2.011 ppm2 6.673 CV 1 ASSI { 567} (( segid "A " and resid 135 and name HB1 )) (( segid "A " and resid 135 and name HA )) 2.400 0.700 0.700 peak 567 spectrum 1 weight 0.10000E+01 volume 0.42021E-02 ppm1 2.181 ppm2 4.062 CV 1 ASSI { 568} (( segid "A " and resid 136 and name HD1 )) (( segid "A " and resid 136 and name HE2 )) 2.500 0.800 0.800 peak 568 spectrum 1 weight 0.10000E+01 volume 0.34587E-02 ppm1 1.470 ppm2 2.863 CV 1 OR { 568} (( segid "A " and resid 136 and name HD1 )) (( segid "A " and resid 136 and name HE1 )) OR { 568} (( segid "A " and resid 136 and name HD2 )) (( segid "A " and resid 136 and name HE2 )) ASSI { 569} (( segid "A " and resid 136 and name HD1 )) ( segid "A " and resid 45 and name HG1%) 2.900 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.14740E-02 ppm1 1.466 ppm2 0.564 CV 1 OR { 569} (( segid "A " and resid 136 and name HD2 )) ( segid "A " and resid 45 and name HG1%) ASSI { 570} (( segid "A " and resid 137 and name HB )) (( segid "A " and resid 137 and name HA )) 2.400 0.700 0.700 peak 570 spectrum 1 weight 0.10000E+01 volume 0.43637E-02 ppm1 1.864 ppm2 3.644 CV 1 ASSI { 572} (( segid "A " and resid 137 and name HB )) ( segid "A " and resid 137 and name HG1%) 2.300 0.600 0.600 peak 572 spectrum 1 weight 0.10000E+01 volume 0.64648E-02 ppm1 1.867 ppm2 0.707 CV 1 ASSI { 574} ( segid "A " and resid 45 and name HG2%) ( segid "A " and resid 41 and name HE% ) 2.500 0.800 0.800 peak 574 spectrum 1 weight 0.10000E+01 volume 0.38789E-02 ppm1 0.668 ppm2 6.609 CV 1 ASSI { 575} ( segid "A " and resid 137 and name HG2%) (( segid "A " and resid 137 and name HA )) 2.300 0.600 0.600 peak 575 spectrum 1 weight 0.10000E+01 volume 0.68527E-02 ppm1 0.459 ppm2 3.700 CV 1 ASSI { 576} ( segid "A " and resid 137 and name HG2%) ( segid "A " and resid 133 and name HE% ) 3.000 1.100 1.100 peak 576 spectrum 1 weight 0.10000E+01 volume 0.11669E-02 ppm1 0.460 ppm2 6.926 CV 1 ASSI { 577} ( segid "A " and resid 137 and name HG2%) ( segid "A " and resid 41 and name HE% ) 3.000 3.000 3.000 peak 577 spectrum 1 weight 0.10000E+01 volume 0.12057E-02 ppm1 0.462 ppm2 6.570 CV 1 ASSI { 578} ( segid "A " and resid 137 and name HG2%) (( segid "A " and resid 137 and name HB )) 2.100 0.500 0.500 peak 578 spectrum 1 weight 0.10000E+01 volume 0.12187E-01 ppm1 0.461 ppm2 1.842 CV 1 ASSI { 579} ( segid "A " and resid 137 and name HG2%) (( segid "A " and resid 135 and name HB2 )) 2.800 2.800 3.200 peak 579 spectrum 1 weight 0.10000E+01 volume 0.19265E-02 ppm1 0.461 ppm2 2.303 CV 1 ASSI { 580} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 138 and name HB% ) 1.800 0.400 0.400 peak 580 spectrum 1 weight 0.10000E+01 volume 0.27605E-01 ppm1 4.138 ppm2 1.491 CV 1 ASSI { 581} (( segid "A " and resid 138 and name HA )) ( segid "A " and resid 137 and name HG1%) 2.800 1.000 1.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 4.140 ppm2 0.667 CV 1 ASSI { 583} (( segid "A " and resid 139 and name HA )) (( segid "A " and resid 139 and name HB1 )) 2.700 0.900 0.900 peak 583 spectrum 1 weight 0.10000E+01 volume 0.25018E-02 ppm1 4.363 ppm2 1.932 CV 1 ASSI { 584} (( segid "A " and resid 139 and name HB2 )) (( segid "A " and resid 139 and name HA )) 2.600 0.800 0.800 peak 584 spectrum 1 weight 0.10000E+01 volume 0.32292E-02 ppm1 2.418 ppm2 4.405 CV 1 ASSI { 585} (( segid "A " and resid 139 and name HG2 )) (( segid "A " and resid 139 and name HA )) 2.600 0.800 0.800 peak 585 spectrum 1 weight 0.10000E+01 volume 0.31160E-02 ppm1 2.351 ppm2 4.374 CV 1 ASSI { 586} (( segid "A " and resid 139 and name HG1 )) (( segid "A " and resid 139 and name HA )) 2.400 2.400 3.600 peak 586 spectrum 1 weight 0.10000E+01 volume 0.46869E-02 ppm1 2.447 ppm2 4.371 CV 1 ASSI { 587} (( segid "A " and resid 140 and name HB2 )) ( segid "A " and resid 41 and name HE% ) 3.300 1.400 1.400 peak 587 spectrum 1 weight 0.10000E+01 volume 0.64972E-03 ppm1 1.581 ppm2 6.612 CV 1 ASSI { 588} (( segid "A " and resid 140 and name HB1 )) ( segid "A " and resid 41 and name HE% ) 3.800 1.800 1.800 peak 588 spectrum 1 weight 0.10000E+01 volume 0.30482E-03 ppm1 1.867 ppm2 6.564 CV 1 ASSI { 589} (( segid "A " and resid 145 and name HB )) (( segid "A " and resid 145 and name HA )) 2.000 2.000 4.000 peak 589 spectrum 1 weight 0.10000E+01 volume 0.15677E-01 ppm1 1.893 ppm2 4.392 CV 1 ASSI { 590} (( segid "A " and resid 140 and name HB2 )) (( segid "A " and resid 137 and name HA )) 3.300 1.400 1.400 peak 590 spectrum 1 weight 0.10000E+01 volume 0.64324E-03 ppm1 1.587 ppm2 3.701 CV 1 ASSI { 592} (( segid "A " and resid 145 and name HB )) ( segid "A " and resid 145 and name HG2%) 1.900 0.400 0.400 peak 592 spectrum 1 weight 0.10000E+01 volume 0.19491E-01 ppm1 1.894 ppm2 0.795 CV 1 ASSI { 593} (( segid "A " and resid 140 and name HG2 )) ( segid "A " and resid 41 and name HD% ) 3.500 1.500 1.500 peak 593 spectrum 1 weight 0.10000E+01 volume 0.53657E-03 ppm1 1.971 ppm2 7.119 CV 1 ASSI { 594} (( segid "A " and resid 140 and name HG1 )) (( segid "A " and resid 38 and name HA )) 3.400 3.400 2.600 peak 594 spectrum 1 weight 0.10000E+01 volume 0.57536E-03 ppm1 2.593 ppm2 3.942 CV 1 ASSI { 595} (( segid "A " and resid 140 and name HG1 )) (( segid "A " and resid 140 and name HG2 )) 2.100 0.500 0.500 peak 595 spectrum 1 weight 0.10000E+01 volume 0.10732E-01 ppm1 2.602 ppm2 1.934 CV 1 ASSI { 596} ( segid "A " and resid 140 and name HE% ) (( segid "A " and resid 139 and name HN )) 2.900 2.900 3.100 peak 596 spectrum 1 weight 0.10000E+01 volume 0.16744E-02 ppm1 2.048 ppm2 6.885 CV 1 ASSI { 597} ( segid "A " and resid 140 and name HE% ) ( segid "A " and resid 41 and name HD% ) 3.000 1.100 1.100 peak 597 spectrum 1 weight 0.10000E+01 volume 0.12897E-02 ppm1 2.046 ppm2 7.139 CV 1 ASSI { 598} ( segid "A " and resid 140 and name HE% ) ( segid "A " and resid 137 and name HG2%) 2.300 2.300 3.700 peak 598 spectrum 1 weight 0.10000E+01 volume 0.64001E-02 ppm1 2.048 ppm2 0.402 CV 1 ASSI { 599} ( segid "A " and resid 140 and name HE% ) ( segid "A " and resid 137 and name HG1%) 2.100 0.600 0.600 peak 599 spectrum 1 weight 0.10000E+01 volume 0.93737E-02 ppm1 2.048 ppm2 0.681 CV 1 ASSI { 600} (( segid "A " and resid 141 and name HA )) (( segid "A " and resid 141 and name HB1 )) 2.100 0.600 0.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.99885E-02 ppm1 4.255 ppm2 1.721 CV 1 ASSI { 601} (( segid "A " and resid 142 and name HA )) (( segid "A " and resid 142 and name HG2 )) 2.200 0.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.88891E-02 ppm1 3.826 ppm2 2.419 CV 1 ASSI { 602} (( segid "A " and resid 142 and name HA )) (( segid "A " and resid 143 and name HG1 )) 2.300 2.300 3.700 peak 602 spectrum 1 weight 0.10000E+01 volume 0.54628E-02 ppm1 3.825 ppm2 2.197 CV 1 ASSI { 603} (( segid "A " and resid 142 and name HA )) (( segid "A " and resid 143 and name HB2 )) 2.100 2.100 3.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.96322E-02 ppm1 3.825 ppm2 1.881 CV 1 ASSI { 604} (( segid "A " and resid 142 and name HB2 )) (( segid "A " and resid 142 and name HA )) 2.400 0.700 0.700 peak 604 spectrum 1 weight 0.10000E+01 volume 0.43314E-02 ppm1 2.130 ppm2 3.795 CV 1 ASSI { 605} (( segid "A " and resid 40 and name HG1 )) ( segid "A " and resid 147 and name HD1%) 2.400 2.400 3.600 peak 605 spectrum 1 weight 0.10000E+01 volume 0.43961E-02 ppm1 2.397 ppm2 0.803 CV 1 ASSI { 606} (( segid "A " and resid 143 and name HA )) (( segid "A " and resid 143 and name HG1 )) 3.300 1.300 1.300 peak 606 spectrum 1 weight 0.10000E+01 volume 0.72406E-03 ppm1 4.486 ppm2 2.187 CV 1 ASSI { 607} (( segid "A " and resid 143 and name HB2 )) (( segid "A " and resid 143 and name HA )) 2.300 0.700 0.700 peak 607 spectrum 1 weight 0.10000E+01 volume 0.63678E-02 ppm1 1.910 ppm2 4.492 CV 1 ASSI { 608} (( segid "A " and resid 144 and name HA )) (( segid "A " and resid 141 and name HG2 )) 2.700 0.900 0.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.23435E-02 ppm1 4.874 ppm2 1.629 CV 1 ASSI { 609} (( segid "A " and resid 144 and name HG1 )) (( segid "A " and resid 144 and name HA )) 4.800 2.900 1.200 peak 609 spectrum 1 weight 0.10000E+01 volume 0.69820E-04 ppm1 2.109 ppm2 4.863 CV 1 ASSI { 610} (( segid "A " and resid 145 and name HA )) ( segid "A " and resid 145 and name HG1%) 1.800 0.400 0.400 peak 610 spectrum 1 weight 0.10000E+01 volume 0.22820E-01 ppm1 4.390 ppm2 0.873 CV 1 ASSI { 613} ( segid "A " and resid 145 and name HG2%) (( segid "A " and resid 145 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.84366E-02 ppm1 0.808 ppm2 4.409 CV 1 ASSI { 615} (( segid "A " and resid 146 and name HA )) (( segid "A " and resid 36 and name HA )) 2.400 0.700 0.700 peak 615 spectrum 1 weight 0.10000E+01 volume 0.45254E-02 ppm1 4.276 ppm2 5.402 CV 1 ASSI { 616} (( segid "A " and resid 146 and name HB1 )) (( segid "A " and resid 147 and name HA )) 3.500 1.500 1.500 peak 616 spectrum 1 weight 0.10000E+01 volume 0.48163E-03 ppm1 1.852 ppm2 4.211 CV 1 ASSI { 617} (( segid "A " and resid 146 and name HG1 )) ( segid "A " and resid 36 and name HG2%) 3.200 1.300 1.300 peak 617 spectrum 1 weight 0.10000E+01 volume 0.81456E-03 ppm1 2.344 ppm2 0.844 CV 1 ASSI { 618} (( segid "A " and resid 146 and name HG1 )) (( segid "A " and resid 35 and name HB2 )) 3.600 1.600 1.600 peak 618 spectrum 1 weight 0.10000E+01 volume 0.42021E-03 ppm1 2.341 ppm2 1.768 CV 1 OR { 618} (( segid "A " and resid 146 and name HG1 )) (( segid "A " and resid 35 and name HB1 )) ASSI { 619} (( segid "A " and resid 147 and name HA )) (( segid "A " and resid 147 and name HB2 )) 2.400 0.700 0.700 peak 619 spectrum 1 weight 0.10000E+01 volume 0.46546E-02 ppm1 4.227 ppm2 1.289 CV 1 ASSI { 620} (( segid "A " and resid 147 and name HB1 )) (( segid "A " and resid 147 and name HA )) 2.500 0.800 0.800 peak 620 spectrum 1 weight 0.10000E+01 volume 0.37173E-02 ppm1 1.550 ppm2 4.228 CV 1 ASSI { 622} (( segid "A " and resid 147 and name HB1 )) (( segid "A " and resid 147 and name HB2 )) 2.200 0.600 0.600 peak 622 spectrum 1 weight 0.10000E+01 volume 0.74991E-02 ppm1 1.547 ppm2 1.288 CV 1 ASSI { 623} (( segid "A " and resid 147 and name HG )) (( segid "A " and resid 147 and name HA )) 2.400 0.700 0.700 peak 623 spectrum 1 weight 0.10000E+01 volume 0.44607E-02 ppm1 1.380 ppm2 4.224 CV 1 ASSI { 624} (( segid "A " and resid 147 and name HG )) (( segid "A " and resid 36 and name HA )) 2.700 0.900 0.900 peak 624 spectrum 1 weight 0.10000E+01 volume 0.21496E-02 ppm1 1.382 ppm2 5.404 CV 1 ASSI { 625} (( segid "A " and resid 147 and name HG )) ( segid "A " and resid 147 and name HD1%) 2.200 0.600 0.600 peak 625 spectrum 1 weight 0.10000E+01 volume 0.91477E-02 ppm1 1.382 ppm2 0.717 CV 1 ASSI { 626} ( segid "A " and resid 147 and name HD2%) (( segid "A " and resid 36 and name HA )) 3.100 1.200 1.200 peak 626 spectrum 1 weight 0.10000E+01 volume 0.94383E-03 ppm1 0.799 ppm2 5.398 CV 1 ASSI { 627} ( segid "A " and resid 147 and name HD2%) (( segid "A " and resid 147 and name HA )) 1.900 0.400 0.400 peak 627 spectrum 1 weight 0.10000E+01 volume 0.19653E-01 ppm1 0.800 ppm2 4.210 CV 1 ASSI { 628} (( segid "A " and resid 88 and name HG2 )) (( segid "A " and resid 88 and name HN )) 3.700 1.700 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.34910E-03 ppm1 1.537 ppm2 8.061 CV 1 ASSI { 629} ( segid "A " and resid 147 and name HD2%) (( segid "A " and resid 37 and name HB2 )) 2.900 1.100 1.100 peak 629 spectrum 1 weight 0.10000E+01 volume 0.13964E-02 ppm1 0.802 ppm2 2.995 CV 1 ASSI { 630} ( segid "A " and resid 147 and name HD2%) (( segid "A " and resid 37 and name HB1 )) 2.900 1.100 1.100 peak 630 spectrum 1 weight 0.10000E+01 volume 0.15063E-02 ppm1 0.802 ppm2 3.125 CV 1 ASSI { 631} (( segid "A " and resid 66 and name HG12)) (( segid "A " and resid 66 and name HB )) 3.300 3.300 2.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.72406E-03 ppm1 1.302 ppm2 2.163 CV 1 ASSI { 632} (( segid "A " and resid 49 and name HB )) (( segid "A " and resid 136 and name HD1 )) 2.100 0.600 0.600 peak 632 spectrum 1 weight 0.10000E+01 volume 0.95353E-02 ppm1 4.319 ppm2 1.482 CV 1 ASSI { 633} (( segid "A " and resid 145 and name HB )) ( segid "A " and resid 145 and name HG1%) 2.000 0.500 0.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.13996E-01 ppm1 1.895 ppm2 0.928 CV 1 ASSI { 634} ( segid "A " and resid 63 and name HG1%) (( segid "A " and resid 70 and name HB2 )) 2.700 0.900 0.900 peak 634 spectrum 1 weight 0.10000E+01 volume 0.24566E-02 ppm1 0.729 ppm2 1.762 CV 1 ASSI { 635} (( segid "A " and resid 37 and name HA )) (( segid "A " and resid 37 and name HB1 )) 2.300 2.300 3.700 peak 635 spectrum 1 weight 0.10000E+01 volume 0.66911E-02 ppm1 4.402 ppm2 3.125 CV 1 ASSI { 636} (( segid "A " and resid 79 and name HA )) (( segid "A " and resid 79 and name HB2 )) 2.300 0.700 0.700 peak 636 spectrum 1 weight 0.10000E+01 volume 0.61416E-02 ppm1 5.225 ppm2 2.771 CV 1 ASSI { 638} ( segid "A " and resid 70 and name HD1%) ( segid "A " and resid 73 and name HE% ) 4.100 4.100 1.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.17940E-03 ppm1 0.499 ppm2 5.991 CV 1 ASSI { 639} ( segid "A " and resid 77 and name HD1%) ( segid "A " and resid 77 and name HG2%) 2.300 2.300 3.700 peak 639 spectrum 1 weight 0.10000E+01 volume 0.61416E-02 ppm1 0.680 ppm2 0.376 CV 1 ASSI { 640} ( segid "A " and resid 128 and name HB% ) ( segid "A " and resid 55 and name HD% ) 2.800 1.000 1.000 peak 640 spectrum 1 weight 0.10000E+01 volume 0.18101E-02 ppm1 1.784 ppm2 7.391 CV 1 ASSI { 641} ( segid "A " and resid 147 and name HD1%) (( segid "A " and resid 40 and name HA )) 2.400 2.400 3.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.46223E-02 ppm1 0.761 ppm2 4.155 CV 1 ASSI { 643} ( segid "A " and resid 63 and name HG2%) (( segid "A " and resid 82 and name HB1 )) 5.700 4.000 0.300 peak 643 spectrum 1 weight 0.10000E+01 volume 0.26699E-04 ppm1 -0.372 ppm2 2.187 CV 1 ASSI { 644} (( segid "A " and resid 55 and name HA )) ( segid "A " and resid 55 and name HD% ) 2.700 2.700 3.300 peak 644 spectrum 1 weight 0.10000E+01 volume 0.21754E-02 ppm1 5.249 ppm2 7.419 CV 1 ASSI { 645} (( segid "A " and resid 80 and name HA )) (( segid "A " and resid 77 and name HB )) 2.900 1.000 1.000 peak 645 spectrum 1 weight 0.10000E+01 volume 0.16097E-02 ppm1 3.964 ppm2 1.311 CV 1 ASSI { 646} (( segid "A " and resid 63 and name HA )) ( segid "A " and resid 68 and name HD1%) 2.400 2.400 3.600 peak 646 spectrum 1 weight 0.10000E+01 volume 0.50425E-02 ppm1 3.247 ppm2 0.816 CV 1 ASSI { 647} (( segid "A " and resid 63 and name HA )) (( segid "A " and resid 68 and name HG )) 3.500 3.500 2.500 peak 647 spectrum 1 weight 0.10000E+01 volume 0.51719E-03 ppm1 3.246 ppm2 0.876 CV 1 ASSI { 648} (( segid "A " and resid 52 and name HA )) (( segid "A " and resid 52 and name HG2 )) 2.500 0.800 0.800 peak 648 spectrum 1 weight 0.10000E+01 volume 0.40729E-02 ppm1 4.486 ppm2 1.685 CV 1 ASSI { 649} ( segid "A " and resid 123 and name HG1%) (( segid "A " and resid 117 and name HA )) 4.500 2.500 1.500 peak 649 spectrum 1 weight 0.10000E+01 volume 0.10764E-03 ppm1 1.143 ppm2 4.557 CV 1
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