NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
26218 | 2kgc | 16201 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 2} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HA )) 3.600 1.600 1.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.17858E-02 ppm1 0.551 ppm2 4.588 CV 1 ASSI { 3} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 9 and name HB2 )) 3.000 1.100 1.100 peak 3 spectrum 1 weight 0.10000E+01 volume 0.14202E-02 ppm1 0.598 ppm2 2.630 CV 1 ASSI { 4} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB2 )) 3.900 1.900 1.900 peak 4 spectrum 1 weight 0.10000E+01 volume 0.91077E-03 ppm1 0.551 ppm2 2.625 CV 1 ASSI { 6} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 9 and name HB1 )) 4.100 2.100 1.900 peak 6 spectrum 1 weight 0.10000E+01 volume 0.88011E-03 ppm1 0.553 ppm2 3.000 CV 1 ASSI { 7} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HB1 )) 2.800 1.000 1.000 peak 7 spectrum 1 weight 0.10000E+01 volume 0.29132E-02 ppm1 3.252 ppm2 2.029 CV 1 OR { 7} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HB1 )) ASSI { 8} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG1 )) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.36327E-02 ppm1 3.224 ppm2 1.434 CV 1 OR { 8} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG1 )) ASSI { 9} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 11 and name HG2 )) 2.700 0.900 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.25681E-02 ppm1 3.235 ppm2 1.295 CV 1 OR { 9} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 11 and name HG2 )) ASSI { 12} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HA )) 2.200 0.600 0.600 peak 12 spectrum 1 weight 0.10000E+01 volume 0.12779E-01 ppm1 1.655 ppm2 4.338 CV 1 ASSI { 16} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HA )) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.13730E-01 ppm1 1.630 ppm2 4.457 CV 1 ASSI { 18} (( segid " " and resid 13 and name HA )) ( segid " " and resid 13 and name HB% ) 1.800 0.400 0.400 peak 18 spectrum 1 weight 0.10000E+01 volume 0.29781E-01 ppm1 4.342 ppm2 1.626 CV 1 ASSI { 19} (( segid " " and resid 13 and name HA )) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 19 spectrum 1 weight 0.10000E+01 volume 0.32884E-02 ppm1 4.338 ppm2 7.716 CV 1 ASSI { 21} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HA )) 2.600 0.900 0.900 peak 21 spectrum 1 weight 0.10000E+01 volume 0.27240E-02 ppm1 1.627 ppm2 4.190 CV 1 ASSI { 25} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 25 spectrum 1 weight 0.10000E+01 volume 0.54077E-02 ppm1 2.272 ppm2 7.545 CV 1 ASSI { 32} (( segid " " and resid 19 and name HA2 )) (( segid " " and resid 19 and name HN )) 2.500 0.800 0.800 peak 32 spectrum 1 weight 0.10000E+01 volume 0.54119E-02 ppm1 4.059 ppm2 8.254 CV 1 ASSI { 33} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 33 spectrum 1 weight 0.10000E+01 volume 0.57483E-02 ppm1 4.103 ppm2 8.254 CV 1 ASSI { 34} (( segid " " and resid 19 and name HA1 )) (( segid " " and resid 20 and name HN )) 3.500 1.500 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.31462E-02 ppm1 4.104 ppm2 8.535 CV 1 ASSI { 35} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 2.600 0.800 0.800 peak 35 spectrum 1 weight 0.10000E+01 volume 0.60240E-02 ppm1 3.000 ppm2 4.860 CV 1 OR { 35} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) ASSI { 39} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 39 spectrum 1 weight 0.10000E+01 volume 0.26146E-02 ppm1 4.656 ppm2 7.874 CV 1 ASSI { 40} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.600 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.34231E-02 ppm1 2.899 ppm2 7.878 CV 1 OR { 40} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) ASSI { 42} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HN )) 2.700 0.900 0.900 peak 42 spectrum 1 weight 0.10000E+01 volume 0.27617E-02 ppm1 4.194 ppm2 8.960 CV 1 ASSI { 43} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 43 spectrum 1 weight 0.10000E+01 volume 0.30722E-02 ppm1 4.208 ppm2 8.963 CV 1 ASSI { 44} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HB2 )) 3.400 3.400 2.600 peak 44 spectrum 1 weight 0.10000E+01 volume 0.35021E-02 ppm1 4.209 ppm2 1.806 CV 1 ASSI { 45} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 45 spectrum 1 weight 0.10000E+01 volume 0.27670E-02 ppm1 1.801 ppm2 4.269 CV 1 ASSI { 46} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HN )) 3.700 1.700 1.700 peak 46 spectrum 1 weight 0.10000E+01 volume 0.28921E-02 ppm1 1.788 ppm2 7.919 CV 1 ASSI { 48} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HG )) 2.800 1.000 1.000 peak 48 spectrum 1 weight 0.10000E+01 volume 0.24886E-02 ppm1 1.063 ppm2 1.787 CV 1 ASSI { 49} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HG )) 2.500 0.800 0.800 peak 49 spectrum 1 weight 0.10000E+01 volume 0.47275E-02 ppm1 1.014 ppm2 1.787 CV 1 ASSI { 52} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HB1 )) 3.600 1.600 1.600 peak 52 spectrum 1 weight 0.10000E+01 volume 0.12798E-02 ppm1 1.010 ppm2 1.916 CV 1 ASSI { 53} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HA )) 3.400 1.400 1.400 peak 53 spectrum 1 weight 0.10000E+01 volume 0.24326E-02 ppm1 1.069 ppm2 4.263 CV 1 ASSI { 54} ( segid " " and resid 43 and name HD1%) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.28151E-02 ppm1 1.014 ppm2 4.270 CV 1 ASSI { 55} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 55 spectrum 1 weight 0.10000E+01 volume 0.75044E-02 ppm1 4.347 ppm2 8.181 CV 1 ASSI { 60} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HN )) 2.300 0.600 0.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.88968E-02 ppm1 1.602 ppm2 8.175 CV 1 ASSI { 61} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HD% ) 2.700 0.900 0.900 peak 61 spectrum 1 weight 0.10000E+01 volume 0.29325E-02 ppm1 1.604 ppm2 7.005 CV 1 ASSI { 62} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG1 )) 3.400 1.500 1.500 peak 62 spectrum 1 weight 0.10000E+01 volume 0.21049E-02 ppm1 4.250 ppm2 2.558 CV 1 ASSI { 63} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG2 )) 2.600 0.800 0.800 peak 63 spectrum 1 weight 0.10000E+01 volume 0.40585E-02 ppm1 4.250 ppm2 2.434 CV 1 ASSI { 64} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB1 )) 2.400 0.700 0.700 peak 64 spectrum 1 weight 0.10000E+01 volume 0.58434E-02 ppm1 4.250 ppm2 2.333 CV 1 ASSI { 66} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.600 0.900 0.900 peak 66 spectrum 1 weight 0.10000E+01 volume 0.39618E-02 ppm1 4.251 ppm2 8.475 CV 1 ASSI { 68} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 68 spectrum 1 weight 0.10000E+01 volume 0.41686E-02 ppm1 4.244 ppm2 8.162 CV 1 ASSI { 71} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB2 )) 3.200 1.300 1.300 peak 71 spectrum 1 weight 0.10000E+01 volume 0.99709E-03 ppm1 3.946 ppm2 2.000 CV 1 ASSI { 72} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 72 spectrum 1 weight 0.10000E+01 volume 0.94981E-03 ppm1 3.948 ppm2 8.168 CV 1 ASSI { 73} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 50 and name HN )) 2.200 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.11041E-01 ppm1 1.654 ppm2 8.005 CV 1 ASSI { 74} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HN )) 2.600 0.800 0.800 peak 74 spectrum 1 weight 0.10000E+01 volume 0.48855E-02 ppm1 1.654 ppm2 8.167 CV 1 ASSI { 75} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HN )) 2.600 0.900 0.900 peak 75 spectrum 1 weight 0.10000E+01 volume 0.41463E-02 ppm1 4.339 ppm2 8.003 CV 1 ASSI { 76} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HB )) 2.200 0.600 0.600 peak 76 spectrum 1 weight 0.10000E+01 volume 0.89899E-02 ppm1 1.016 ppm2 2.271 CV 1 ASSI { 77} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HB )) 2.200 0.600 0.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.76875E-02 ppm1 0.976 ppm2 2.272 CV 1 ASSI { 78} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HB2 )) 3.000 1.100 1.100 peak 78 spectrum 1 weight 0.10000E+01 volume 0.25877E-02 ppm1 1.016 ppm2 2.094 CV 1 OR { 78} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG2 )) OR { 78} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HG1 )) ASSI { 79} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.100 0.600 0.600 peak 79 spectrum 1 weight 0.10000E+01 volume 0.75280E-02 ppm1 0.966 ppm2 2.103 CV 1 ASSI { 80} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.70903E-02 ppm1 1.017 ppm2 3.930 CV 1 ASSI { 81} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HA )) 2.700 0.900 0.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.40150E-02 ppm1 0.976 ppm2 3.930 CV 1 ASSI { 82} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.43499E-02 ppm1 1.016 ppm2 7.549 CV 1 ASSI { 83} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 64 and name HN )) 3.300 1.400 1.400 peak 83 spectrum 1 weight 0.10000E+01 volume 0.33449E-02 ppm1 0.976 ppm2 7.549 CV 1 ASSI { 86} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 2.900 1.000 1.000 peak 86 spectrum 1 weight 0.10000E+01 volume 0.25922E-02 ppm1 4.184 ppm2 8.294 CV 1 ASSI { 92} (( segid " " and resid 66 and name HA2 )) (( segid " " and resid 66 and name HA1 )) 1.700 0.400 0.500 peak 92 spectrum 1 weight 0.10000E+01 volume 0.20362E-01 ppm1 4.007 ppm2 4.129 CV 1 ASSI { 93} (( segid " " and resid 66 and name HA1 )) (( segid " " and resid 66 and name HN )) 2.900 1.100 1.100 peak 93 spectrum 1 weight 0.10000E+01 volume 0.17557E-02 ppm1 4.133 ppm2 8.183 CV 1 ASSI { 94} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 70 and name HA )) 2.500 0.800 0.800 peak 94 spectrum 1 weight 0.10000E+01 volume 0.42920E-02 ppm1 1.010 ppm2 4.853 CV 1 ASSI { 95} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HA )) 2.400 0.700 0.700 peak 95 spectrum 1 weight 0.10000E+01 volume 0.46838E-02 ppm1 1.011 ppm2 4.676 CV 1 ASSI { 98} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 2.800 1.000 1.000 peak 98 spectrum 1 weight 0.10000E+01 volume 0.26415E-02 ppm1 4.232 ppm2 7.779 CV 1 ASSI { 100} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 2.900 1.100 1.100 peak 100 spectrum 1 weight 0.10000E+01 volume 0.11408E-02 ppm1 2.298 ppm2 7.779 CV 1 ASSI { 102} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 70 and name HN )) 3.200 1.300 1.300 peak 102 spectrum 1 weight 0.10000E+01 volume 0.84550E-03 ppm1 2.292 ppm2 7.409 CV 1 ASSI { 103} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HA )) 2.900 1.100 1.100 peak 103 spectrum 1 weight 0.10000E+01 volume 0.26178E-02 ppm1 2.339 ppm2 4.219 CV 1 ASSI { 104} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HA )) 2.800 1.000 1.000 peak 104 spectrum 1 weight 0.10000E+01 volume 0.18988E-02 ppm1 2.409 ppm2 4.234 CV 1 ASSI { 105} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.400 1.500 1.500 peak 105 spectrum 1 weight 0.10000E+01 volume 0.15423E-02 ppm1 2.291 ppm2 4.233 CV 1 ASSI { 106} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 73 and name HA )) 3.500 1.600 1.600 peak 106 spectrum 1 weight 0.10000E+01 volume 0.17082E-02 ppm1 2.559 ppm2 4.234 CV 1 ASSI { 107} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HA )) 3.000 1.100 1.100 peak 107 spectrum 1 weight 0.10000E+01 volume 0.17146E-02 ppm1 2.488 ppm2 4.233 CV 1 ASSI { 111} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 73 and name HN )) 3.100 1.200 1.200 peak 111 spectrum 1 weight 0.10000E+01 volume 0.17371E-02 ppm1 2.484 ppm2 7.781 CV 1 ASSI { 112} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HN )) 2.800 1.000 1.000 peak 112 spectrum 1 weight 0.10000E+01 volume 0.31723E-02 ppm1 1.728 ppm2 7.920 CV 1 OR { 112} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HN )) ASSI { 114} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HA )) 2.100 0.500 0.500 peak 114 spectrum 1 weight 0.10000E+01 volume 0.10437E-01 ppm1 1.067 ppm2 4.251 CV 1 OR { 114} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 115} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 76 and name HA )) 3.000 1.100 1.100 peak 115 spectrum 1 weight 0.10000E+01 volume 0.32580E-02 ppm1 2.778 ppm2 4.500 CV 1 ASSI { 118} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 73 and name HA )) 3.500 1.500 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.17296E-02 ppm1 2.717 ppm2 4.241 CV 1 ASSI { 120} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 120 spectrum 1 weight 0.10000E+01 volume 0.32821E-02 ppm1 2.720 ppm2 8.423 CV 1 ASSI { 121} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HN )) 2.600 0.900 0.900 peak 121 spectrum 1 weight 0.10000E+01 volume 0.42706E-02 ppm1 4.497 ppm2 8.430 CV 1 ASSI { 122} (( segid " " and resid 76 and name HA )) (( segid " " and resid 76 and name HB2 )) 2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.66675E-02 ppm1 4.496 ppm2 2.727 CV 1 ASSI { 123} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB2 )) 2.200 0.600 0.600 peak 123 spectrum 1 weight 0.10000E+01 volume 0.84045E-02 ppm1 1.812 ppm2 1.987 CV 1 OR { 123} (( segid " " and resid 77 and name HG )) (( segid " " and resid 77 and name HB1 )) ASSI { 129} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HA )) 3.900 1.900 1.900 peak 129 spectrum 1 weight 0.10000E+01 volume 0.57344E-03 ppm1 2.495 ppm2 4.376 CV 1 ASSI { 130} (( segid " " and resid 86 and name HA )) (( segid " " and resid 86 and name HN )) 3.300 1.300 1.300 peak 130 spectrum 1 weight 0.10000E+01 volume 0.15409E-02 ppm1 4.216 ppm2 7.978 CV 1 ASSI { 132} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HB1 )) 2.600 0.900 0.900 peak 132 spectrum 1 weight 0.10000E+01 volume 0.33854E-02 ppm1 7.323 ppm2 3.355 CV 1 ASSI { 134} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB1 )) 2.300 0.700 0.700 peak 134 spectrum 1 weight 0.10000E+01 volume 0.52709E-02 ppm1 7.006 ppm2 2.898 CV 1 OR { 134} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HB2 )) ASSI { 135} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) 3.200 1.300 1.300 peak 135 spectrum 1 weight 0.10000E+01 volume 0.19682E-02 ppm1 7.228 ppm2 1.360 CV 1 OR { 135} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 7 and name HG2%) ASSI { 138} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 31 and name HD2%) 2.800 1.000 1.000 peak 138 spectrum 1 weight 0.10000E+01 volume 0.19587E-02 ppm1 7.230 ppm2 0.843 CV 1 ASSI { 140} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 7 and name HG2%) 3.500 1.600 1.600 peak 140 spectrum 1 weight 0.10000E+01 volume 0.67179E-03 ppm1 7.300 ppm2 1.363 CV 1 ASSI { 142} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HB1 )) 2.400 0.700 0.700 peak 142 spectrum 1 weight 0.10000E+01 volume 0.44058E-02 ppm1 7.376 ppm2 3.442 CV 1 ASSI { 144} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 144 spectrum 1 weight 0.10000E+01 volume 0.19707E-02 ppm1 6.814 ppm2 4.297 CV 1 OR { 144} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 52 and name HA )) ASSI { 154} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD2 )) 2.600 0.800 0.800 peak 154 spectrum 1 weight 0.10000E+01 volume 0.36498E-02 ppm1 0.981 ppm2 3.537 CV 1 ASSI { 155} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HA )) 2.400 0.700 0.700 peak 155 spectrum 1 weight 0.10000E+01 volume 0.61793E-02 ppm1 0.394 ppm2 3.974 CV 1 ASSI { 157} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HA )) 2.500 0.800 0.800 peak 157 spectrum 1 weight 0.10000E+01 volume 0.42237E-02 ppm1 0.981 ppm2 4.491 CV 1 ASSI { 159} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 74 and name HD1%) 2.900 1.100 1.100 peak 159 spectrum 1 weight 0.10000E+01 volume 0.28366E-02 ppm1 0.878 ppm2 1.075 CV 1 OR { 159} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 74 and name HD2%) ASSI { 162} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 162 spectrum 1 weight 0.10000E+01 volume 0.98469E-03 ppm1 0.878 ppm2 1.391 CV 1 ASSI { 166} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HG11)) 4.400 2.400 1.600 peak 166 spectrum 1 weight 0.10000E+01 volume 0.62446E-03 ppm1 0.876 ppm2 1.773 CV 1 ASSI { 167} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.600 1.600 1.600 peak 167 spectrum 1 weight 0.10000E+01 volume 0.10633E-02 ppm1 0.880 ppm2 2.338 CV 1 ASSI { 168} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.800 1.800 1.800 peak 168 spectrum 1 weight 0.10000E+01 volume 0.10525E-02 ppm1 0.881 ppm2 2.255 CV 1 ASSI { 169} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HG1 )) 3.100 1.200 1.200 peak 169 spectrum 1 weight 0.10000E+01 volume 0.96303E-03 ppm1 0.883 ppm2 2.690 CV 1 ASSI { 171} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HA )) 3.800 1.800 1.800 peak 171 spectrum 1 weight 0.10000E+01 volume 0.18377E-02 ppm1 0.881 ppm2 4.490 CV 1 ASSI { 176} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 49 and name HA )) 2.900 1.000 1.000 peak 176 spectrum 1 weight 0.10000E+01 volume 0.17261E-02 ppm1 0.879 ppm2 3.923 CV 1 ASSI { 177} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HA )) 4.900 3.000 1.100 peak 177 spectrum 1 weight 0.10000E+01 volume 0.57673E-03 ppm1 0.881 ppm2 3.763 CV 1 ASSI { 180} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HN )) 4.300 2.300 1.700 peak 180 spectrum 1 weight 0.10000E+01 volume 0.40736E-03 ppm1 0.880 ppm2 8.592 CV 1 ASSI { 182} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 182 spectrum 1 weight 0.10000E+01 volume 0.25751E-02 ppm1 0.804 ppm2 0.557 CV 1 ASSI { 183} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 26 and name HD1%) 3.200 1.300 1.300 peak 183 spectrum 1 weight 0.10000E+01 volume 0.19354E-02 ppm1 0.938 ppm2 0.660 CV 1 ASSI { 184} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG12)) 2.200 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.65260E-02 ppm1 0.803 ppm2 1.212 CV 1 ASSI { 185} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD1%) 2.300 0.700 0.700 peak 185 spectrum 1 weight 0.10000E+01 volume 0.62724E-02 ppm1 0.804 ppm2 1.058 CV 1 OR { 185} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 74 and name HD2%) ASSI { 187} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB2 )) 3.200 1.200 1.200 peak 187 spectrum 1 weight 0.10000E+01 volume 0.11363E-02 ppm1 0.803 ppm2 1.419 CV 1 ASSI { 188} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HB )) 2.500 0.800 0.800 peak 188 spectrum 1 weight 0.10000E+01 volume 0.40225E-02 ppm1 0.803 ppm2 1.910 CV 1 ASSI { 189} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HG11)) 2.100 0.500 0.500 peak 189 spectrum 1 weight 0.10000E+01 volume 0.81947E-02 ppm1 0.803 ppm2 1.787 CV 1 ASSI { 191} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 5 and name HB1 )) 3.100 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.55518E-03 ppm1 0.803 ppm2 1.538 CV 1 OR { 191} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 194} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG11)) 2.200 0.600 0.600 peak 194 spectrum 1 weight 0.10000E+01 volume 0.66896E-02 ppm1 0.939 ppm2 1.870 CV 1 ASSI { 195} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HB1 )) 3.100 3.100 2.900 peak 195 spectrum 1 weight 0.10000E+01 volume 0.57863E-03 ppm1 0.803 ppm2 2.462 CV 1 ASSI { 196} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HG2 )) 3.400 1.500 1.500 peak 196 spectrum 1 weight 0.10000E+01 volume 0.31173E-03 ppm1 0.806 ppm2 2.356 CV 1 OR { 196} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HB2 )) ASSI { 197} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.500 1.500 1.500 peak 197 spectrum 1 weight 0.10000E+01 volume 0.53769E-03 ppm1 0.803 ppm2 2.250 CV 1 ASSI { 199} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 199 spectrum 1 weight 0.10000E+01 volume 0.59556E-02 ppm1 0.939 ppm2 2.335 CV 1 ASSI { 201} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HB1 )) 4.500 2.500 1.500 peak 201 spectrum 1 weight 0.10000E+01 volume 0.37892E-03 ppm1 0.941 ppm2 3.440 CV 1 ASSI { 204} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB2 )) 4.100 2.100 1.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.70162E-03 ppm1 0.937 ppm2 2.882 CV 1 OR { 204} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HB1 )) ASSI { 206} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 78 and name HA )) 3.800 1.800 1.800 peak 206 spectrum 1 weight 0.10000E+01 volume 0.22837E-02 ppm1 0.804 ppm2 3.763 CV 1 ASSI { 209} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HD1 )) 3.600 1.600 1.600 peak 209 spectrum 1 weight 0.10000E+01 volume 0.56829E-03 ppm1 0.937 ppm2 4.066 CV 1 ASSI { 214} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HZ )) 5.000 3.100 1.000 peak 214 spectrum 1 weight 0.10000E+01 volume 0.21643E-03 ppm1 0.934 ppm2 6.914 CV 1 ASSI { 216} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HD% ) 2.600 0.800 0.800 peak 216 spectrum 1 weight 0.10000E+01 volume 0.35360E-02 ppm1 0.938 ppm2 7.243 CV 1 ASSI { 221} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD1%) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.36165E-02 ppm1 0.907 ppm2 0.578 CV 1 OR { 221} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 5 and name HD2%) ASSI { 225} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 225 spectrum 1 weight 0.10000E+01 volume 0.19971E-02 ppm1 0.911 ppm2 1.189 CV 1 ASSI { 230} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HB )) 2.100 0.600 0.600 peak 230 spectrum 1 weight 0.10000E+01 volume 0.81319E-02 ppm1 0.908 ppm2 1.905 CV 1 ASSI { 231} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HG11)) 3.300 1.400 1.400 peak 231 spectrum 1 weight 0.10000E+01 volume 0.28875E-02 ppm1 0.911 ppm2 1.800 CV 1 ASSI { 232} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HB2 )) 4.100 2.100 1.900 peak 232 spectrum 1 weight 0.10000E+01 volume 0.87682E-03 ppm1 0.976 ppm2 2.101 CV 1 OR { 232} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HG2 )) OR { 232} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HG1 )) ASSI { 233} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 58 and name HB )) 3.200 1.300 1.300 peak 233 spectrum 1 weight 0.10000E+01 volume 0.11100E-02 ppm1 0.909 ppm2 2.104 CV 1 ASSI { 235} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HB )) 2.200 0.600 0.600 peak 235 spectrum 1 weight 0.10000E+01 volume 0.80265E-02 ppm1 0.981 ppm2 1.926 CV 1 ASSI { 237} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 75 and name HA )) 4.200 2.200 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.63696E-03 ppm1 0.910 ppm2 3.906 CV 1 ASSI { 238} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HA )) 2.400 0.700 0.700 peak 238 spectrum 1 weight 0.10000E+01 volume 0.55888E-02 ppm1 0.910 ppm2 3.763 CV 1 ASSI { 240} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 61 and name HD1 )) 3.700 1.700 1.700 peak 240 spectrum 1 weight 0.10000E+01 volume 0.22552E-02 ppm1 0.981 ppm2 4.031 CV 1 ASSI { 242} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 79 and name HA )) 3.400 1.500 1.500 peak 242 spectrum 1 weight 0.10000E+01 volume 0.83567E-03 ppm1 0.912 ppm2 4.894 CV 1 ASSI { 246} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 78 and name HN )) 3.800 1.800 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 0.909 ppm2 8.468 CV 1 ASSI { 247} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HN )) 4.400 2.400 1.600 peak 247 spectrum 1 weight 0.10000E+01 volume 0.81535E-03 ppm1 0.981 ppm2 8.901 CV 1 ASSI { 249} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 65 and name HN )) 4.500 2.500 1.500 peak 249 spectrum 1 weight 0.10000E+01 volume 0.34687E-03 ppm1 0.977 ppm2 8.302 CV 1 ASSI { 250} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HN )) 4.000 2.000 2.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.39796E-03 ppm1 0.910 ppm2 9.398 CV 1 ASSI { 264} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HA )) 2.200 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.10569E-01 ppm1 1.580 ppm2 3.925 CV 1 ASSI { 267} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB2 )) 4.000 2.000 2.000 peak 267 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 1.655 ppm2 2.334 CV 1 OR { 267} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HB1 )) OR { 267} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 53 and name HG2 )) ASSI { 268} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H2A )) 4.600 2.700 1.400 peak 268 spectrum 1 weight 0.10000E+01 volume 0.30388E-03 ppm1 1.584 ppm2 2.521 CV 1 OR { 268} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H2B )) ASSI { 271} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 45 and name HD1%) 4.000 2.000 2.000 peak 271 spectrum 1 weight 0.10000E+01 volume 0.87708E-03 ppm1 1.603 ppm2 0.396 CV 1 ASSI { 274} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 52 and name HD2%) 2.000 0.500 0.500 peak 274 spectrum 1 weight 0.10000E+01 volume 0.13974E-01 ppm1 1.630 ppm2 0.970 CV 1 ASSI { 275} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 14 and name HD2%) 2.600 0.900 0.900 peak 275 spectrum 1 weight 0.10000E+01 volume 0.32306E-02 ppm1 1.630 ppm2 0.869 CV 1 ASSI { 277} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.700 0.900 0.900 peak 277 spectrum 1 weight 0.10000E+01 volume 0.27392E-02 ppm1 1.462 ppm2 0.969 CV 1 ASSI { 281} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG12)) 2.400 0.700 0.700 peak 281 spectrum 1 weight 0.10000E+01 volume 0.38302E-02 ppm1 1.061 ppm2 1.474 CV 1 ASSI { 282} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HB2 )) 2.800 1.000 1.000 peak 282 spectrum 1 weight 0.10000E+01 volume 0.20941E-02 ppm1 1.055 ppm2 1.422 CV 1 ASSI { 284} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HG11)) 3.600 1.600 1.600 peak 284 spectrum 1 weight 0.10000E+01 volume 0.17863E-02 ppm1 1.057 ppm2 1.878 CV 1 ASSI { 286} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HB1 )) 2.800 1.000 1.000 peak 286 spectrum 1 weight 0.10000E+01 volume 0.22214E-02 ppm1 1.058 ppm2 1.786 CV 1 OR { 286} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 33 and name HG )) ASSI { 288} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 5 and name HD1%) 4.500 2.600 1.500 peak 288 spectrum 1 weight 0.10000E+01 volume 0.63804E-03 ppm1 1.613 ppm2 0.573 CV 1 OR { 288} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 5 and name HD2%) ASSI { 289} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HB )) 2.500 0.800 0.800 peak 289 spectrum 1 weight 0.10000E+01 volume 0.43025E-02 ppm1 1.060 ppm2 2.332 CV 1 ASSI { 294} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HG )) 2.700 0.900 0.900 peak 294 spectrum 1 weight 0.10000E+01 volume 0.32854E-02 ppm1 1.628 ppm2 2.067 CV 1 ASSI { 299} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB2 )) 3.600 1.600 1.600 peak 299 spectrum 1 weight 0.10000E+01 volume 0.83243E-03 ppm1 1.060 ppm2 3.000 CV 1 OR { 299} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HB1 )) ASSI { 301} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB2 )) 4.900 3.000 1.100 peak 301 spectrum 1 weight 0.10000E+01 volume 0.71258E-03 ppm1 1.061 ppm2 2.885 CV 1 OR { 301} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HB1 )) ASSI { 305} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 78 and name HA )) 2.800 1.000 1.000 peak 305 spectrum 1 weight 0.10000E+01 volume 0.30932E-02 ppm1 1.631 ppm2 3.764 CV 1 ASSI { 306} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HA )) 2.200 0.600 0.600 peak 306 spectrum 1 weight 0.10000E+01 volume 0.11169E-01 ppm1 1.460 ppm2 4.182 CV 1 ASSI { 318} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HD% ) 4.400 2.500 1.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.14104E-02 ppm1 1.059 ppm2 7.005 CV 1 ASSI { 319} ( segid " " and resid 38 and name HG2%) ( segid " " and resid 40 and name HE% ) 4.500 2.500 1.500 peak 319 spectrum 1 weight 0.10000E+01 volume 0.80774E-03 ppm1 1.056 ppm2 6.762 CV 1 ASSI { 320} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 320 spectrum 1 weight 0.10000E+01 volume 0.61510E-03 ppm1 1.461 ppm2 7.549 CV 1 ASSI { 324} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 324 spectrum 1 weight 0.10000E+01 volume 0.47274E-02 ppm1 1.581 ppm2 8.005 CV 1 ASSI { 331} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.99698E-02 ppm1 1.461 ppm2 8.292 CV 1 ASSI { 332} ( segid " " and resid 65 and name HB% ) (( segid " " and resid 66 and name HN )) 2.900 1.100 1.100 peak 332 spectrum 1 weight 0.10000E+01 volume 0.29439E-02 ppm1 1.460 ppm2 8.184 CV 1 ASSI { 334} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 45 and name HN )) 2.900 1.000 1.000 peak 334 spectrum 1 weight 0.10000E+01 volume 0.33046E-02 ppm1 1.604 ppm2 8.414 CV 1 ASSI { 335} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 49 and name HN )) 2.200 0.600 0.600 peak 335 spectrum 1 weight 0.10000E+01 volume 0.97553E-02 ppm1 1.580 ppm2 8.544 CV 1 ASSI { 341} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HN )) 2.500 0.800 0.800 peak 341 spectrum 1 weight 0.10000E+01 volume 0.58830E-02 ppm1 1.553 ppm2 7.920 CV 1 ASSI { 342} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 2.300 0.600 0.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.97461E-02 ppm1 1.591 ppm2 7.957 CV 1 ASSI { 344} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 80 and name HA2 )) 2.700 0.900 0.900 peak 344 spectrum 1 weight 0.10000E+01 volume 0.22302E-02 ppm1 1.592 ppm2 4.036 CV 1 ASSI { 347} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 82 and name HA )) 2.900 1.100 1.100 peak 347 spectrum 1 weight 0.10000E+01 volume 0.23696E-02 ppm1 1.554 ppm2 4.264 CV 1 ASSI { 348} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.300 0.700 0.700 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10263E-01 ppm1 1.593 ppm2 4.306 CV 1 ASSI { 350} ( segid " " and resid 85 and name HB% ) (( segid " " and resid 85 and name HA )) 2.400 0.700 0.700 peak 350 spectrum 1 weight 0.10000E+01 volume 0.79977E-02 ppm1 1.553 ppm2 4.460 CV 1 ASSI { 354} ( segid " " and resid 83 and name HB% ) ( segid " " and resid 4 and name HD1%) 3.200 1.300 1.300 peak 354 spectrum 1 weight 0.10000E+01 volume 0.13533E-02 ppm1 1.590 ppm2 0.897 CV 1 ASSI { 355} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD1%) 3.100 1.200 1.200 peak 355 spectrum 1 weight 0.10000E+01 volume 0.62256E-03 ppm1 1.078 ppm2 0.379 CV 1 ASSI { 358} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 5 and name HD1%) 3.700 1.700 1.700 peak 358 spectrum 1 weight 0.10000E+01 volume 0.10554E-02 ppm1 0.913 ppm2 0.573 CV 1 OR { 358} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 5 and name HD2%) ASSI { 361} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 52 and name HB2 )) 4.100 2.100 1.900 peak 361 spectrum 1 weight 0.10000E+01 volume 0.91792E-03 ppm1 0.912 ppm2 1.416 CV 1 ASSI { 364} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HB1 )) 4.500 2.600 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.45665E-03 ppm1 0.917 ppm2 1.968 CV 1 ASSI { 365} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 82 and name HG )) 3.700 1.700 1.700 peak 365 spectrum 1 weight 0.10000E+01 volume 0.81751E-03 ppm1 0.916 ppm2 1.884 CV 1 ASSI { 366} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB2 )) 2.800 1.000 1.000 peak 366 spectrum 1 weight 0.10000E+01 volume 0.16230E-02 ppm1 0.914 ppm2 2.877 CV 1 ASSI { 367} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG1 )) 5.300 3.500 0.700 peak 367 spectrum 1 weight 0.10000E+01 volume 0.65008E-03 ppm1 0.914 ppm2 2.685 CV 1 ASSI { 368} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HG2 )) 4.300 2.300 1.700 peak 368 spectrum 1 weight 0.10000E+01 volume 0.14893E-02 ppm1 0.915 ppm2 2.350 CV 1 OR { 368} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HB2 )) ASSI { 370} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 52 and name HB1 )) 4.200 2.200 1.800 peak 370 spectrum 1 weight 0.10000E+01 volume 0.40937E-03 ppm1 0.914 ppm2 2.226 CV 1 ASSI { 371} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HB )) 2.200 0.600 0.600 peak 371 spectrum 1 weight 0.10000E+01 volume 0.76932E-02 ppm1 0.913 ppm2 2.101 CV 1 ASSI { 372} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HB1 )) 3.100 1.200 1.200 peak 372 spectrum 1 weight 0.10000E+01 volume 0.14059E-02 ppm1 0.913 ppm2 3.442 CV 1 ASSI { 373} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HA )) 3.600 1.600 1.600 peak 373 spectrum 1 weight 0.10000E+01 volume 0.29694E-02 ppm1 0.914 ppm2 4.204 CV 1 ASSI { 374} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA1 )) 3.100 1.200 1.200 peak 374 spectrum 1 weight 0.10000E+01 volume 0.61999E-03 ppm1 0.913 ppm2 4.092 CV 1 OR { 374} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HA2 )) ASSI { 376} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.28197E-02 ppm1 0.914 ppm2 4.546 CV 1 ASSI { 377} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HA )) 3.100 1.200 1.200 peak 377 spectrum 1 weight 0.10000E+01 volume 0.37835E-02 ppm1 1.083 ppm2 4.527 CV 1 ASSI { 381} ( segid " " and resid 2 and name HB% ) (( segid " " and resid 2 and name HA )) 2.600 0.800 0.800 peak 381 spectrum 1 weight 0.10000E+01 volume 0.46926E-02 ppm1 1.645 ppm2 4.278 CV 1 ASSI { 383} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HA2 )) 4.000 2.000 2.000 peak 383 spectrum 1 weight 0.10000E+01 volume 0.10714E-02 ppm1 1.499 ppm2 4.068 CV 1 ASSI { 385} ( segid " " and resid 86 and name HB% ) (( segid " " and resid 86 and name HA )) 3.800 1.800 1.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.54530E-03 ppm1 1.461 ppm2 4.220 CV 1 ASSI { 387} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HA )) 2.400 0.700 0.700 peak 387 spectrum 1 weight 0.10000E+01 volume 0.70738E-02 ppm1 1.502 ppm2 4.369 CV 1 ASSI { 414} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 53 and name HN )) 5.300 3.600 0.700 peak 414 spectrum 1 weight 0.10000E+01 volume 0.33469E-03 ppm1 0.909 ppm2 8.602 CV 1 ASSI { 415} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HN )) 4.200 2.200 1.800 peak 415 spectrum 1 weight 0.10000E+01 volume 0.16262E-02 ppm1 0.914 ppm2 8.424 CV 1 ASSI { 416} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 416 spectrum 1 weight 0.10000E+01 volume 0.65980E-03 ppm1 1.079 ppm2 9.183 CV 1 ASSI { 418} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HN )) 2.400 0.700 0.700 peak 418 spectrum 1 weight 0.10000E+01 volume 0.56228E-02 ppm1 1.083 ppm2 7.752 CV 1 ASSI { 420} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 18 and name HN )) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.68598E-02 ppm1 1.502 ppm2 7.910 CV 1 ASSI { 421} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 20 and name HN )) 4.500 2.500 1.500 peak 421 spectrum 1 weight 0.10000E+01 volume 0.30530E-03 ppm1 1.500 ppm2 8.523 CV 1 ASSI { 423} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 423 spectrum 1 weight 0.10000E+01 volume 0.21128E-02 ppm1 1.502 ppm2 8.257 CV 1 ASSI { 424} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 70 and name HN )) 4.800 2.900 1.200 peak 424 spectrum 1 weight 0.10000E+01 volume 0.38322E-03 ppm1 1.081 ppm2 7.417 CV 1 ASSI { 425} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HD% ) 4.000 2.000 2.000 peak 425 spectrum 1 weight 0.10000E+01 volume 0.44622E-03 ppm1 1.081 ppm2 7.252 CV 1 ASSI { 428} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 56 and name HD% ) 3.100 1.200 1.200 peak 428 spectrum 1 weight 0.10000E+01 volume 0.57611E-03 ppm1 0.913 ppm2 7.371 CV 1 ASSI { 429} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 58 and name HN )) 2.500 0.800 0.800 peak 429 spectrum 1 weight 0.10000E+01 volume 0.47445E-02 ppm1 0.914 ppm2 7.251 CV 1 ASSI { 430} ( segid " " and resid 18 and name HB% ) ( segid " " and resid 40 and name HD% ) 3.500 1.500 1.500 peak 430 spectrum 1 weight 0.10000E+01 volume 0.11185E-02 ppm1 1.501 ppm2 7.006 CV 1 ASSI { 434} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 434 spectrum 1 weight 0.10000E+01 volume 0.60960E-02 ppm1 1.081 ppm2 2.321 CV 1 ASSI { 443} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 443 spectrum 1 weight 0.10000E+01 volume 0.26849E-02 ppm1 0.977 ppm2 8.297 CV 1 ASSI { 459} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 459 spectrum 1 weight 0.10000E+01 volume 0.40369E-02 ppm1 1.091 ppm2 4.421 CV 1 ASSI { 461} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HA )) 2.700 0.900 0.900 peak 461 spectrum 1 weight 0.10000E+01 volume 0.44079E-02 ppm1 1.225 ppm2 4.510 CV 1 ASSI { 462} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 71 and name HD2 )) 3.600 1.600 1.600 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15628E-02 ppm1 1.011 ppm2 3.071 CV 1 ASSI { 463} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB1 )) 3.200 1.300 1.300 peak 463 spectrum 1 weight 0.10000E+01 volume 0.20259E-02 ppm1 1.013 ppm2 2.933 CV 1 ASSI { 464} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 69 and name HB2 )) 3.000 1.200 1.200 peak 464 spectrum 1 weight 0.10000E+01 volume 0.16425E-02 ppm1 1.010 ppm2 2.804 CV 1 ASSI { 468} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HG2 )) 3.100 1.200 1.200 peak 468 spectrum 1 weight 0.10000E+01 volume 0.28982E-02 ppm1 1.088 ppm2 1.746 CV 1 ASSI { 469} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 13 and name HB% ) 2.400 0.700 0.700 peak 469 spectrum 1 weight 0.10000E+01 volume 0.54129E-02 ppm1 1.092 ppm2 1.633 CV 1 ASSI { 470} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 34 and name HG2 )) 2.600 0.900 0.900 peak 470 spectrum 1 weight 0.10000E+01 volume 0.21567E-02 ppm1 1.013 ppm2 1.630 CV 1 ASSI { 480} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 4 and name HN )) 2.500 2.500 3.500 peak 480 spectrum 1 weight 0.10000E+01 volume 0.23237E-02 ppm1 1.362 ppm2 8.187 CV 1 ASSI { 481} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HN )) 2.500 0.800 0.800 peak 481 spectrum 1 weight 0.10000E+01 volume 0.49695E-02 ppm1 1.384 ppm2 9.179 CV 1 ASSI { 482} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 7 and name HN )) 4.300 2.300 1.700 peak 482 spectrum 1 weight 0.10000E+01 volume 0.94097E-03 ppm1 1.386 ppm2 8.825 CV 1 ASSI { 483} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 483 spectrum 1 weight 0.10000E+01 volume 0.14149E-02 ppm1 1.212 ppm2 8.590 CV 1 ASSI { 487} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 3.400 1.400 1.400 peak 487 spectrum 1 weight 0.10000E+01 volume 0.15467E-02 ppm1 0.966 ppm2 8.421 CV 1 ASSI { 489} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 2.700 0.900 0.900 peak 489 spectrum 1 weight 0.10000E+01 volume 0.20861E-02 ppm1 0.967 ppm2 7.253 CV 1 ASSI { 491} ( segid " " and resid 3 and name HG2%) (( segid " " and resid 3 and name HB )) 2.500 0.800 0.800 peak 491 spectrum 1 weight 0.10000E+01 volume 0.61217E-02 ppm1 1.362 ppm2 4.172 CV 1 ASSI { 492} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HB )) 2.200 0.600 0.600 peak 492 spectrum 1 weight 0.10000E+01 volume 0.11459E-01 ppm1 1.385 ppm2 4.816 CV 1 OR { 492} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 6 and name HA )) ASSI { 493} ( segid " " and resid 6 and name HG2%) (( segid " " and resid 5 and name HA )) 3.500 1.500 1.500 peak 493 spectrum 1 weight 0.10000E+01 volume 0.17891E-02 ppm1 1.384 ppm2 4.584 CV 1 ASSI { 495} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HB )) 2.400 0.700 0.700 peak 495 spectrum 1 weight 0.10000E+01 volume 0.83757E-02 ppm1 1.213 ppm2 4.187 CV 1 ASSI { 496} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HA )) 3.000 1.100 1.100 peak 496 spectrum 1 weight 0.10000E+01 volume 0.48189E-02 ppm1 0.968 ppm2 4.547 CV 1 ASSI { 498} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB1 )) 4.100 2.200 1.900 peak 498 spectrum 1 weight 0.10000E+01 volume 0.10547E-02 ppm1 0.968 ppm2 3.447 CV 1 ASSI { 500} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 61 and name HD2 )) 3.600 1.600 1.600 peak 500 spectrum 1 weight 0.10000E+01 volume 0.17188E-02 ppm1 1.016 ppm2 3.544 CV 1 ASSI { 502} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 502 spectrum 1 weight 0.10000E+01 volume 0.96632E-03 ppm1 0.968 ppm2 2.884 CV 1 ASSI { 503} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD1%) 2.700 0.900 0.900 peak 503 spectrum 1 weight 0.10000E+01 volume 0.33920E-02 ppm1 1.362 ppm2 0.529 CV 1 ASSI { 506} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD2%) 2.800 1.000 1.000 peak 506 spectrum 1 weight 0.10000E+01 volume 0.25702E-02 ppm1 1.119 ppm2 0.798 CV 1 ASSI { 507} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 45 and name HD2%) 2.300 0.700 0.700 peak 507 spectrum 1 weight 0.10000E+01 volume 0.10073E-01 ppm1 0.394 ppm2 0.583 CV 1 ASSI { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H4B )) 3.200 1.300 1.300 peak 508 spectrum 1 weight 0.10000E+01 volume 0.22613E-02 ppm1 0.394 ppm2 1.172 CV 1 OR { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H5A )) OR { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H6B )) OR { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H5B )) OR { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H4A )) OR { 508} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H6A )) ASSI { 510} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB1 )) 3.400 1.400 1.400 peak 510 spectrum 1 weight 0.10000E+01 volume 0.23974E-02 ppm1 0.394 ppm2 1.810 CV 1 ASSI { 511} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HG )) 2.300 0.700 0.700 peak 511 spectrum 1 weight 0.10000E+01 volume 0.65435E-02 ppm1 0.395 ppm2 1.628 CV 1 ASSI { 512} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 512 spectrum 1 weight 0.10000E+01 volume 0.39393E-02 ppm1 0.394 ppm2 1.407 CV 1 ASSI { 513} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HG )) 2.200 0.600 0.600 peak 513 spectrum 1 weight 0.10000E+01 volume 0.95424E-02 ppm1 0.947 ppm2 1.771 CV 1 OR { 513} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 33 and name HB1 )) ASSI { 514} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 75 and name HG )) 2.800 2.800 3.200 peak 514 spectrum 1 weight 0.10000E+01 volume 0.71021E-02 ppm1 1.064 ppm2 1.715 CV 1 OR { 514} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 75 and name HG )) ASSI { 516} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HG1 )) 3.200 1.300 1.300 peak 516 spectrum 1 weight 0.10000E+01 volume 0.18385E-02 ppm1 1.120 ppm2 1.407 CV 1 ASSI { 519} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HB )) 2.100 0.600 0.600 peak 519 spectrum 1 weight 0.10000E+01 volume 0.10693E-01 ppm1 1.120 ppm2 2.258 CV 1 ASSI { 522} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 37 and name HB1 )) 3.500 1.500 1.500 peak 522 spectrum 1 weight 0.10000E+01 volume 0.14139E-02 ppm1 0.949 ppm2 3.011 CV 1 OR { 522} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 37 and name HB2 )) ASSI { 523} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB1 )) 2.600 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.32150E-02 ppm1 0.394 ppm2 2.894 CV 1 OR { 523} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 40 and name HB2 )) ASSI { 527} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HA )) 2.800 1.000 1.000 peak 527 spectrum 1 weight 0.10000E+01 volume 0.47028E-02 ppm1 1.120 ppm2 4.040 CV 1 ASSI { 528} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HA )) 2.400 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.64175E-02 ppm1 1.120 ppm2 3.925 CV 1 ASSI { 529} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HB )) 2.400 0.700 0.700 peak 529 spectrum 1 weight 0.10000E+01 volume 0.62770E-02 ppm1 1.362 ppm2 4.293 CV 1 ASSI { 530} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HA )) 2.500 0.800 0.800 peak 530 spectrum 1 weight 0.10000E+01 volume 0.51063E-02 ppm1 1.362 ppm2 3.851 CV 1 ASSI { 531} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HA )) 2.400 0.700 0.700 peak 531 spectrum 1 weight 0.10000E+01 volume 0.61639E-02 ppm1 1.083 ppm2 4.527 CV 1 ASSI { 532} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 30 and name HA )) 3.600 1.600 1.600 peak 532 spectrum 1 weight 0.10000E+01 volume 0.95907E-03 ppm1 0.947 ppm2 4.695 CV 1 ASSI { 533} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB1 )) 3.300 1.300 1.300 peak 533 spectrum 1 weight 0.10000E+01 volume 0.75599E-03 ppm1 0.391 ppm2 3.448 CV 1 ASSI { 534} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HB2 )) 4.100 2.100 1.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.50404E-03 ppm1 0.393 ppm2 3.124 CV 1 ASSI { 535} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H2B )) 5.100 3.300 0.900 peak 535 spectrum 1 weight 0.10000E+01 volume 0.26171E-03 ppm1 0.398 ppm2 2.493 CV 1 OR { 535} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H2A )) ASSI { 540} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB1 )) 3.600 1.700 1.700 peak 540 spectrum 1 weight 0.10000E+01 volume 0.11693E-02 ppm1 1.120 ppm2 1.941 CV 1 ASSI { 541} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 42 and name H8% ) 2.900 1.100 1.100 peak 541 spectrum 1 weight 0.10000E+01 volume 0.19980E-02 ppm1 0.396 ppm2 0.836 CV 1 ASSI { 542} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 14 and name HD1%) 2.800 1.000 1.000 peak 542 spectrum 1 weight 0.10000E+01 volume 0.25575E-02 ppm1 0.394 ppm2 0.733 CV 1 ASSI { 544} ( segid " " and resid 15 and name HG2%) ( segid " " and resid 26 and name HD1%) 3.400 1.500 1.500 peak 544 spectrum 1 weight 0.10000E+01 volume 0.90228E-03 ppm1 1.118 ppm2 0.689 CV 1 ASSI { 545} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HA )) 4.800 2.900 1.200 peak 545 spectrum 1 weight 0.10000E+01 volume 0.34512E-03 ppm1 1.086 ppm2 5.220 CV 1 ASSI { 546} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HA )) 5.000 3.200 1.000 peak 546 spectrum 1 weight 0.10000E+01 volume 0.32736E-03 ppm1 1.366 ppm2 4.799 CV 1 OR { 546} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 6 and name HB )) ASSI { 547} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 8 and name HA )) 4.100 2.100 1.900 peak 547 spectrum 1 weight 0.10000E+01 volume 0.54834E-03 ppm1 1.361 ppm2 4.615 CV 1 ASSI { 551} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 30 and name HE% ) 2.900 1.100 1.100 peak 551 spectrum 1 weight 0.10000E+01 volume 0.37405E-02 ppm1 1.363 ppm2 7.235 CV 1 ASSI { 553} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 35 and name HZ )) 3.500 1.500 1.500 peak 553 spectrum 1 weight 0.10000E+01 volume 0.11541E-02 ppm1 1.073 ppm2 6.911 CV 1 OR { 553} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 555} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.100 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 0.395 ppm2 7.242 CV 1 ASSI { 557} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HZ )) 4.000 2.000 2.000 peak 557 spectrum 1 weight 0.10000E+01 volume 0.38335E-03 ppm1 0.392 ppm2 6.911 CV 1 ASSI { 561} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 561 spectrum 1 weight 0.10000E+01 volume 0.10731E-02 ppm1 1.083 ppm2 7.406 CV 1 ASSI { 563} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HN )) 2.900 1.100 1.100 peak 563 spectrum 1 weight 0.10000E+01 volume 0.26240E-02 ppm1 1.083 ppm2 7.757 CV 1 ASSI { 565} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 45 and name HN )) 4.100 2.100 1.900 peak 565 spectrum 1 weight 0.10000E+01 volume 0.12958E-02 ppm1 0.394 ppm2 8.416 CV 1 ASSI { 569} ( segid " " and resid 33 and name HD1%) (( segid " " and resid 34 and name HN )) 3.800 1.800 1.800 peak 569 spectrum 1 weight 0.10000E+01 volume 0.17518E-02 ppm1 0.946 ppm2 8.438 CV 1 ASSI { 571} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 15 and name HN )) 2.300 0.600 0.600 peak 571 spectrum 1 weight 0.10000E+01 volume 0.82204E-02 ppm1 1.120 ppm2 8.433 CV 1 ASSI { 572} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 20 and name HN )) 4.700 2.700 1.300 peak 572 spectrum 1 weight 0.10000E+01 volume 0.33149E-03 ppm1 1.117 ppm2 8.543 CV 1 ASSI { 576} ( segid " " and resid 7 and name HG2%) (( segid " " and resid 7 and name HN )) 3.400 1.500 1.500 peak 576 spectrum 1 weight 0.10000E+01 volume 0.12995E-02 ppm1 1.361 ppm2 8.831 CV 1 ASSI { 577} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 69 and name HN )) 4.100 2.100 1.900 peak 577 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 1.083 ppm2 9.172 CV 1 ASSI { 578} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HN )) 4.200 2.200 1.800 peak 578 spectrum 1 weight 0.10000E+01 volume 0.11799E-02 ppm1 0.520 ppm2 8.978 CV 1 ASSI { 580} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 5 and name HN )) 4.300 2.300 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.15139E-02 ppm1 0.895 ppm2 9.393 CV 1 ASSI { 583} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 583 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 0.973 ppm2 8.530 CV 1 ASSI { 585} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 15 and name HN )) 4.800 2.900 1.200 peak 585 spectrum 1 weight 0.10000E+01 volume 0.51024E-03 ppm1 0.724 ppm2 8.435 CV 1 ASSI { 593} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HN )) 3.900 1.900 1.900 peak 593 spectrum 1 weight 0.10000E+01 volume 0.10318E-02 ppm1 0.985 ppm2 8.228 CV 1 ASSI { 596} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HD22)) 4.300 2.400 1.700 peak 596 spectrum 1 weight 0.10000E+01 volume 0.72513E-03 ppm1 0.896 ppm2 7.647 CV 1 ASSI { 598} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HZ )) 3.500 1.600 1.600 peak 598 spectrum 1 weight 0.10000E+01 volume 0.17139E-02 ppm1 0.522 ppm2 7.300 CV 1 OR { 598} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HD% ) ASSI { 599} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 30 and name HE% ) 3.800 1.800 1.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.15615E-02 ppm1 0.522 ppm2 7.236 CV 1 ASSI { 600} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 30 and name HD% ) 3.600 1.600 1.600 peak 600 spectrum 1 weight 0.10000E+01 volume 0.18728E-02 ppm1 0.668 ppm2 7.323 CV 1 ASSI { 601} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HD% ) 3.400 1.400 1.400 peak 601 spectrum 1 weight 0.10000E+01 volume 0.81607E-03 ppm1 0.724 ppm2 7.241 CV 1 ASSI { 604} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 35 and name HZ )) 4.200 2.200 1.800 peak 604 spectrum 1 weight 0.10000E+01 volume 0.77220E-03 ppm1 0.725 ppm2 6.911 CV 1 ASSI { 607} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 56 and name HD% ) 2.800 1.000 1.000 peak 607 spectrum 1 weight 0.10000E+01 volume 0.43493E-02 ppm1 0.975 ppm2 7.374 CV 1 ASSI { 609} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HA )) 3.400 1.400 1.400 peak 609 spectrum 1 weight 0.10000E+01 volume 0.21321E-02 ppm1 0.896 ppm2 4.889 CV 1 ASSI { 610} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HA )) 3.300 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.75862E-02 ppm1 0.896 ppm2 4.349 CV 1 ASSI { 613} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HA )) 2.200 0.600 0.600 peak 613 spectrum 1 weight 0.10000E+01 volume 0.66057E-02 ppm1 0.725 ppm2 4.335 CV 1 ASSI { 614} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HA )) 4.600 2.700 1.400 peak 614 spectrum 1 weight 0.10000E+01 volume 0.78840E-03 ppm1 0.522 ppm2 4.266 CV 1 ASSI { 616} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 7 and name HA )) 3.800 1.800 1.800 peak 616 spectrum 1 weight 0.10000E+01 volume 0.92620E-03 ppm1 0.522 ppm2 3.856 CV 1 ASSI { 618} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 11 and name HA )) 5.300 3.500 0.700 peak 618 spectrum 1 weight 0.10000E+01 volume 0.29762E-03 ppm1 0.725 ppm2 3.595 CV 1 ASSI { 623} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HA )) 2.200 0.600 0.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.77631E-02 ppm1 1.039 ppm2 4.188 CV 1 ASSI { 626} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 626 spectrum 1 weight 0.10000E+01 volume 0.10870E-02 ppm1 1.038 ppm2 3.898 CV 1 ASSI { 628} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.700 1.700 1.700 peak 628 spectrum 1 weight 0.10000E+01 volume 0.12622E-02 ppm1 0.668 ppm2 3.354 CV 1 ASSI { 629} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.900 1.900 1.900 peak 629 spectrum 1 weight 0.10000E+01 volume 0.10961E-02 ppm1 0.668 ppm2 3.064 CV 1 ASSI { 630} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 40 and name HB1 )) 4.400 2.400 1.600 peak 630 spectrum 1 weight 0.10000E+01 volume 0.33792E-03 ppm1 0.730 ppm2 2.897 CV 1 OR { 630} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 40 and name HB2 )) ASSI { 633} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 633 spectrum 1 weight 0.10000E+01 volume 0.19655E-02 ppm1 0.898 ppm2 2.796 CV 1 ASSI { 634} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 82 and name HB1 )) 3.700 1.700 1.700 peak 634 spectrum 1 weight 0.10000E+01 volume 0.18741E-02 ppm1 0.895 ppm2 1.963 CV 1 ASSI { 638} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) 3.800 1.800 1.800 peak 638 spectrum 1 weight 0.10000E+01 volume 0.62174E-03 ppm1 0.974 ppm2 2.184 CV 1 ASSI { 639} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 639 spectrum 1 weight 0.10000E+01 volume 0.61824E-02 ppm1 0.973 ppm2 2.056 CV 1 ASSI { 640} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HB1 )) 3.000 1.100 1.100 peak 640 spectrum 1 weight 0.10000E+01 volume 0.30901E-02 ppm1 0.980 ppm2 1.964 CV 1 ASSI { 641} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 641 spectrum 1 weight 0.10000E+01 volume 0.27234E-02 ppm1 0.726 ppm2 1.928 CV 1 ASSI { 642} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HG )) 2.300 0.600 0.600 peak 642 spectrum 1 weight 0.10000E+01 volume 0.60723E-02 ppm1 0.725 ppm2 1.751 CV 1 ASSI { 644} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB1 )) 4.400 2.400 1.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.23730E-02 ppm1 0.521 ppm2 2.243 CV 1 OR { 644} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HG1 )) ASSI { 645} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 71 and name HB2 )) 3.500 1.500 1.500 peak 645 spectrum 1 weight 0.10000E+01 volume 0.36272E-02 ppm1 0.521 ppm2 2.034 CV 1 ASSI { 647} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HG )) 2.400 0.700 0.700 peak 647 spectrum 1 weight 0.10000E+01 volume 0.48390E-02 ppm1 0.667 ppm2 1.587 CV 1 ASSI { 649} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HG )) 2.300 0.700 0.700 peak 649 spectrum 1 weight 0.10000E+01 volume 0.61330E-02 ppm1 1.039 ppm2 1.902 CV 1 ASSI { 650} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB1 )) 3.100 1.200 1.200 peak 650 spectrum 1 weight 0.10000E+01 volume 0.27451E-02 ppm1 1.038 ppm2 2.216 CV 1 ASSI { 651} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HG )) 2.400 0.700 0.700 peak 651 spectrum 1 weight 0.10000E+01 volume 0.55991E-02 ppm1 0.897 ppm2 1.711 CV 1 ASSI { 653} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 653 spectrum 1 weight 0.10000E+01 volume 0.36833E-02 ppm1 0.896 ppm2 1.480 CV 1 ASSI { 655} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 3.100 1.200 1.200 peak 655 spectrum 1 weight 0.10000E+01 volume 0.43571E-02 ppm1 0.974 ppm2 1.396 CV 1 ASSI { 659} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB2 )) 2.500 0.800 0.800 peak 659 spectrum 1 weight 0.10000E+01 volume 0.40690E-02 ppm1 0.667 ppm2 1.337 CV 1 ASSI { 660} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 24 and name HG2%) 3.100 1.200 1.200 peak 660 spectrum 1 weight 0.10000E+01 volume 0.21228E-02 ppm1 0.667 ppm2 1.225 CV 1 ASSI { 661} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 661 spectrum 1 weight 0.10000E+01 volume 0.21590E-02 ppm1 0.667 ppm2 1.065 CV 1 ASSI { 663} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HB2 )) 3.100 1.200 1.200 peak 663 spectrum 1 weight 0.10000E+01 volume 0.49090E-02 ppm1 0.724 ppm2 1.462 CV 1 ASSI { 665} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 48 and name HG2%) 2.300 0.600 0.600 peak 665 spectrum 1 weight 0.10000E+01 volume 0.74925E-02 ppm1 0.725 ppm2 1.083 CV 1 ASSI { 668} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HG )) 2.400 0.700 0.700 peak 668 spectrum 1 weight 0.10000E+01 volume 0.48599E-02 ppm1 0.521 ppm2 1.292 CV 1 ASSI { 669} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.600 0.800 0.800 peak 669 spectrum 1 weight 0.10000E+01 volume 0.47401E-02 ppm1 0.521 ppm2 1.093 CV 1 ASSI { 670} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.100 0.500 0.500 peak 670 spectrum 1 weight 0.10000E+01 volume 0.14383E-01 ppm1 0.521 ppm2 0.810 CV 1 ASSI { 672} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD1%) 2.500 0.800 0.800 peak 672 spectrum 1 weight 0.10000E+01 volume 0.34432E-02 ppm1 0.973 ppm2 0.577 CV 1 OR { 672} ( segid " " and resid 52 and name HD2%) ( segid " " and resid 5 and name HD2%) ASSI { 676} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 26 and name HD2%) 2.200 0.600 0.600 peak 676 spectrum 1 weight 0.10000E+01 volume 0.11378E-01 ppm1 0.668 ppm2 0.788 CV 1 ASSI { 677} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.100 0.600 0.600 peak 677 spectrum 1 weight 0.10000E+01 volume 0.12720E-01 ppm1 0.725 ppm2 0.844 CV 1 ASSI { 682} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 52 and name HD2%) 2.600 0.900 0.900 peak 682 spectrum 1 weight 0.10000E+01 volume 0.65317E-02 ppm1 0.600 ppm2 0.957 CV 1 ASSI { 683} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 75 and name HD1%) 2.600 0.800 0.800 peak 683 spectrum 1 weight 0.10000E+01 volume 0.33662E-02 ppm1 0.600 ppm2 0.796 CV 1 ASSI { 684} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.42779E-02 ppm1 0.548 ppm2 0.979 CV 1 ASSI { 691} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HG )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.41643E-02 ppm1 0.599 ppm2 1.534 CV 1 OR { 691} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB1 )) ASSI { 692} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HG )) 2.200 0.600 0.600 peak 692 spectrum 1 weight 0.10000E+01 volume 0.80985E-02 ppm1 0.550 ppm2 1.538 CV 1 OR { 692} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 693} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HB2 )) 2.800 1.000 1.000 peak 693 spectrum 1 weight 0.10000E+01 volume 0.20092E-02 ppm1 0.551 ppm2 1.454 CV 1 ASSI { 694} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 5 and name HB2 )) 3.300 1.400 1.400 peak 694 spectrum 1 weight 0.10000E+01 volume 0.24250E-02 ppm1 0.594 ppm2 1.442 CV 1 ASSI { 696} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HG )) 3.000 1.100 1.100 peak 696 spectrum 1 weight 0.10000E+01 volume 0.16048E-02 ppm1 0.577 ppm2 1.635 CV 1 ASSI { 700} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 7 and name HG2%) 2.700 0.900 0.900 peak 700 spectrum 1 weight 0.10000E+01 volume 0.29032E-02 ppm1 0.808 ppm2 1.372 CV 1 ASSI { 702} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 5 and name HB1 )) 4.300 2.300 1.700 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11736E-02 ppm1 0.964 ppm2 1.526 CV 1 OR { 702} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 5 and name HG )) ASSI { 703} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HB2 )) 3.400 1.400 1.400 peak 703 spectrum 1 weight 0.10000E+01 volume 0.33976E-02 ppm1 0.964 ppm2 1.479 CV 1 ASSI { 705} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HB1 )) 3.100 1.200 1.200 peak 705 spectrum 1 weight 0.10000E+01 volume 0.22379E-02 ppm1 1.067 ppm2 1.907 CV 1 ASSI { 708} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 45 and name HB1 )) 2.600 0.800 0.800 peak 708 spectrum 1 weight 0.10000E+01 volume 0.36909E-02 ppm1 0.575 ppm2 1.807 CV 1 ASSI { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H6B )) 3.600 1.600 1.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.98824E-03 ppm1 0.578 ppm2 1.168 CV 1 OR { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H5A )) OR { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H5B )) OR { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H6A )) OR { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H4B )) OR { 709} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H4A )) ASSI { 717} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H2B )) 4.400 2.500 1.600 peak 717 spectrum 1 weight 0.10000E+01 volume 0.41204E-03 ppm1 0.578 ppm2 2.509 CV 1 OR { 717} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name H2A )) ASSI { 721} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB1 )) 2.900 2.900 3.100 peak 721 spectrum 1 weight 0.10000E+01 volume 0.82312E-03 ppm1 0.575 ppm2 2.891 CV 1 OR { 721} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 40 and name HB2 )) ASSI { 722} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HA )) 2.700 0.900 0.900 peak 722 spectrum 1 weight 0.10000E+01 volume 0.54443E-02 ppm1 0.803 ppm2 3.900 CV 1 ASSI { 724} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HA )) 3.200 1.200 1.200 peak 724 spectrum 1 weight 0.10000E+01 volume 0.98824E-03 ppm1 0.810 ppm2 3.635 CV 1 ASSI { 726} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB1 )) 3.200 1.300 1.300 peak 726 spectrum 1 weight 0.10000E+01 volume 0.12128E-02 ppm1 0.577 ppm2 3.442 CV 1 ASSI { 727} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HB2 )) 3.500 1.600 1.600 peak 727 spectrum 1 weight 0.10000E+01 volume 0.66140E-03 ppm1 0.576 ppm2 3.126 CV 1 ASSI { 729} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HA )) 2.900 1.100 1.100 peak 729 spectrum 1 weight 0.10000E+01 volume 0.28045E-02 ppm1 0.576 ppm2 4.208 CV 1 ASSI { 731} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HE% ) 3.500 1.600 1.600 peak 731 spectrum 1 weight 0.10000E+01 volume 0.85033E-03 ppm1 0.553 ppm2 6.811 CV 1 ASSI { 733} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 35 and name HZ )) 4.200 2.200 1.800 peak 733 spectrum 1 weight 0.10000E+01 volume 0.35343E-03 ppm1 0.574 ppm2 6.909 CV 1 ASSI { 735} ( segid " " and resid 5 and name HD2%) ( segid " " and resid 56 and name HD% ) 4.000 2.000 2.000 peak 735 spectrum 1 weight 0.10000E+01 volume 0.11557E-02 ppm1 0.599 ppm2 7.371 CV 1 ASSI { 736} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 56 and name HD% ) 3.700 1.700 1.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.76751E-03 ppm1 0.553 ppm2 7.373 CV 1 ASSI { 737} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.400 1.400 1.400 peak 737 spectrum 1 weight 0.10000E+01 volume 0.10884E-02 ppm1 0.576 ppm2 7.245 CV 1 ASSI { 744} ( segid " " and resid 43 and name HD2%) (( segid " " and resid 43 and name HN )) 5.000 3.100 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.55091E-03 ppm1 1.069 ppm2 7.909 CV 1 ASSI { 747} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HN )) 4.500 2.500 1.500 peak 747 spectrum 1 weight 0.10000E+01 volume 0.50268E-03 ppm1 0.802 ppm2 9.391 CV 1 ASSI { 749} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 5 and name HN )) 4.800 2.900 1.200 peak 749 spectrum 1 weight 0.10000E+01 volume 0.52745E-03 ppm1 0.551 ppm2 9.396 CV 1 ASSI { 751} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 6 and name HN )) 4.900 3.000 1.100 peak 751 spectrum 1 weight 0.10000E+01 volume 0.41973E-03 ppm1 0.546 ppm2 9.189 CV 1 ASSI { 752} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 752 spectrum 1 weight 0.10000E+01 volume 0.10452E-02 ppm1 0.996 ppm2 9.391 CV 1 ASSI { 759} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HN )) 3.900 1.900 1.900 peak 759 spectrum 1 weight 0.10000E+01 volume 0.97162E-03 ppm1 0.996 ppm2 8.233 CV 1 ASSI { 761} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HN )) 4.500 2.600 1.500 peak 761 spectrum 1 weight 0.10000E+01 volume 0.73732E-03 ppm1 1.004 ppm2 7.936 CV 1 ASSI { 762} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HN )) 4.600 2.600 1.400 peak 762 spectrum 1 weight 0.10000E+01 volume 0.68177E-03 ppm1 0.967 ppm2 7.940 CV 1 ASSI { 763} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HD% ) 3.600 1.700 1.700 peak 763 spectrum 1 weight 0.10000E+01 volume 0.10413E-02 ppm1 0.850 ppm2 7.310 CV 1 OR { 763} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 30 and name HZ )) ASSI { 765} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 79 and name HD21)) 3.900 1.900 1.900 peak 765 spectrum 1 weight 0.10000E+01 volume 0.65147E-03 ppm1 0.839 ppm2 7.485 CV 1 ASSI { 766} ( segid " " and resid 33 and name HD2%) ( segid " " and resid 30 and name HD% ) 4.500 2.600 1.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.45724E-03 ppm1 1.042 ppm2 7.316 CV 1 ASSI { 767} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HN )) 3.600 1.600 1.600 peak 767 spectrum 1 weight 0.10000E+01 volume 0.95609E-03 ppm1 1.039 ppm2 7.245 CV 1 ASSI { 773} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 79 and name HA )) 3.700 1.700 1.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.10784E-02 ppm1 0.997 ppm2 4.892 CV 1 ASSI { 778} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 7 and name HB )) 3.000 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.72209E-03 ppm1 0.815 ppm2 4.290 CV 1 ASSI { 780} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HA )) 3.000 1.100 1.100 peak 780 spectrum 1 weight 0.10000E+01 volume 0.18219E-02 ppm1 0.850 ppm2 3.607 CV 1 ASSI { 781} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 4 and name HA )) 3.200 1.300 1.300 peak 781 spectrum 1 weight 0.10000E+01 volume 0.20357E-02 ppm1 0.997 ppm2 4.348 CV 1 ASSI { 784} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HA )) 3.300 1.400 1.400 peak 784 spectrum 1 weight 0.10000E+01 volume 0.94760E-03 ppm1 1.040 ppm2 4.375 CV 1 ASSI { 785} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 785 spectrum 1 weight 0.10000E+01 volume 0.35423E-02 ppm1 1.041 ppm2 4.694 CV 1 ASSI { 788} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HA )) 3.000 1.100 1.100 peak 788 spectrum 1 weight 0.10000E+01 volume 0.83994E-03 ppm1 0.814 ppm2 3.381 CV 1 ASSI { 799} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HG )) 2.600 0.800 0.800 peak 799 spectrum 1 weight 0.10000E+01 volume 0.32709E-02 ppm1 0.803 ppm2 1.574 CV 1 ASSI { 803} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 803 spectrum 1 weight 0.10000E+01 volume 0.29077E-02 ppm1 0.805 ppm2 1.332 CV 1 ASSI { 805} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB2 )) 3.100 1.200 1.200 peak 805 spectrum 1 weight 0.10000E+01 volume 0.25277E-02 ppm1 1.041 ppm2 1.422 CV 1 ASSI { 806} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HG )) 2.500 0.800 0.800 peak 806 spectrum 1 weight 0.10000E+01 volume 0.48554E-02 ppm1 1.039 ppm2 1.781 CV 1 OR { 806} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 33 and name HB1 )) ASSI { 813} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HG )) 2.900 1.000 1.000 peak 813 spectrum 1 weight 0.10000E+01 volume 0.20185E-02 ppm1 0.989 ppm2 1.880 CV 1 ASSI { 814} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB2 )) 3.000 1.100 1.100 peak 814 spectrum 1 weight 0.10000E+01 volume 0.40536E-02 ppm1 0.996 ppm2 1.575 CV 1 ASSI { 818} (( segid " " and resid 82 and name HG )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 818 spectrum 1 weight 0.10000E+01 volume 0.30427E-02 ppm1 1.874 ppm2 8.230 CV 1 ASSI { 819} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HD% ) 3.400 1.500 1.500 peak 819 spectrum 1 weight 0.10000E+01 volume 0.18906E-02 ppm1 2.215 ppm2 7.321 CV 1 ASSI { 821} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HN )) 2.300 0.700 0.700 peak 821 spectrum 1 weight 0.10000E+01 volume 0.30612E-02 ppm1 2.053 ppm2 8.540 CV 1 ASSI { 823} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 30 and name HE% ) 2.900 1.100 1.100 peak 823 spectrum 1 weight 0.10000E+01 volume 0.20491E-02 ppm1 1.092 ppm2 7.235 CV 1 ASSI { 824} (( segid " " and resid 74 and name HG )) ( segid " " and resid 35 and name HE% ) 3.400 1.500 1.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.99194E-03 ppm1 1.011 ppm2 7.018 CV 1 ASSI { 825} (( segid " " and resid 74 and name HG )) (( segid " " and resid 35 and name HZ )) 3.000 1.100 1.100 peak 825 spectrum 1 weight 0.10000E+01 volume 0.15904E-02 ppm1 1.014 ppm2 6.911 CV 1 ASSI { 827} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HN )) 4.400 2.400 1.600 peak 827 spectrum 1 weight 0.10000E+01 volume 0.72446E-03 ppm1 0.909 ppm2 8.304 CV 1 ASSI { 829} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 829 spectrum 1 weight 0.10000E+01 volume 0.30007E-02 ppm1 0.834 ppm2 8.542 CV 1 ASSI { 833} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HN )) 3.300 1.300 1.300 peak 833 spectrum 1 weight 0.10000E+01 volume 0.31614E-02 ppm1 1.634 ppm2 8.414 CV 1 ASSI { 835} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 835 spectrum 1 weight 0.10000E+01 volume 0.10161E-02 ppm1 1.714 ppm2 8.775 CV 1 ASSI { 836} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HD% ) 2.900 1.000 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 1.466 ppm2 7.320 CV 1 ASSI { 838} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HE% ) 4.500 2.500 1.500 peak 838 spectrum 1 weight 0.10000E+01 volume 0.64951E-03 ppm1 1.469 ppm2 7.021 CV 1 ASSI { 839} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HN )) 5.000 3.100 1.000 peak 839 spectrum 1 weight 0.10000E+01 volume 0.56341E-03 ppm1 1.014 ppm2 7.911 CV 1 ASSI { 842} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HA )) 3.800 1.800 1.800 peak 842 spectrum 1 weight 0.10000E+01 volume 0.14234E-02 ppm1 1.092 ppm2 4.208 CV 1 ASSI { 844} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HA )) 3.800 1.800 1.800 peak 844 spectrum 1 weight 0.10000E+01 volume 0.11155E-02 ppm1 1.095 ppm2 3.891 CV 1 ASSI { 850} (( segid " " and resid 45 and name HG )) (( segid " " and resid 40 and name HB1 )) 3.300 3.300 2.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.12275E-02 ppm1 1.633 ppm2 2.896 CV 1 ASSI { 854} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HA )) 3.400 1.400 1.400 peak 854 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 1.631 ppm2 3.974 CV 1 ASSI { 857} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HA )) 2.900 1.000 1.000 peak 857 spectrum 1 weight 0.10000E+01 volume 0.24568E-02 ppm1 1.316 ppm2 4.099 CV 1 ASSI { 860} (( segid " " and resid 33 and name HG )) (( segid " " and resid 30 and name HA )) 3.100 1.200 1.200 peak 860 spectrum 1 weight 0.10000E+01 volume 0.15945E-02 ppm1 1.768 ppm2 4.695 CV 1 ASSI { 862} (( segid " " and resid 45 and name HG )) (( segid " " and resid 42 and name HA )) 4.300 2.400 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.44578E-03 ppm1 1.631 ppm2 4.204 CV 1 ASSI { 863} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 31 and name HA )) 4.500 2.500 1.500 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10034E-02 ppm1 2.214 ppm2 3.382 CV 1 ASSI { 867} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 70 and name HA )) 5.300 3.500 0.700 peak 867 spectrum 1 weight 0.10000E+01 volume 0.35791E-03 ppm1 2.213 ppm2 4.857 CV 1 ASSI { 868} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 3.300 1.300 1.300 peak 868 spectrum 1 weight 0.10000E+01 volume 0.84503E-03 ppm1 2.209 ppm2 4.243 CV 1 ASSI { 872} (( segid " " and resid 52 and name HG )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.94241E-03 ppm1 2.052 ppm2 4.302 CV 1 ASSI { 876} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HG2 )) 1.800 0.400 0.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.83130E-02 ppm1 2.213 ppm2 1.468 CV 1 ASSI { 882} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD2%) 2.600 0.900 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.33888E-02 ppm1 1.879 ppm2 0.996 CV 1 OR { 882} (( segid " " and resid 82 and name HG )) ( segid " " and resid 82 and name HD1%) ASSI { 886} (( segid " " and resid 75 and name HG )) ( segid " " and resid 75 and name HD2%) 2.800 1.000 1.000 peak 886 spectrum 1 weight 0.10000E+01 volume 0.20867E-02 ppm1 1.701 ppm2 0.846 CV 1 ASSI { 891} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB2 )) 2.300 0.700 0.700 peak 891 spectrum 1 weight 0.10000E+01 volume 0.44066E-02 ppm1 1.291 ppm2 1.087 CV 1 ASSI { 892} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HG2 )) 1.700 0.400 0.500 peak 892 spectrum 1 weight 0.10000E+01 volume 0.13505E-01 ppm1 1.315 ppm2 0.910 CV 1 ASSI { 900} (( segid " " and resid 45 and name HG )) (( segid " " and resid 45 and name HB1 )) 2.600 0.900 0.900 peak 900 spectrum 1 weight 0.10000E+01 volume 0.23770E-02 ppm1 1.641 ppm2 1.809 CV 1 ASSI { 901} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB1 )) 3.000 1.100 1.100 peak 901 spectrum 1 weight 0.10000E+01 volume 0.29194E-02 ppm1 1.315 ppm2 1.795 CV 1 ASSI { 903} (( segid " " and resid 55 and name HG1 )) (( segid " " and resid 55 and name HB2 )) 2.400 0.700 0.700 peak 903 spectrum 1 weight 0.10000E+01 volume 0.41666E-02 ppm1 1.314 ppm2 1.442 CV 1 ASSI { 905} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 905 spectrum 1 weight 0.10000E+01 volume 0.46217E-02 ppm1 1.093 ppm2 2.219 CV 1 ASSI { 910} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HG )) 2.300 0.600 0.600 peak 910 spectrum 1 weight 0.10000E+01 volume 0.59211E-02 ppm1 0.844 ppm2 1.727 CV 1 ASSI { 911} (( segid " " and resid 55 and name HG2 )) (( segid " " and resid 55 and name HB2 )) 3.000 1.100 1.100 peak 911 spectrum 1 weight 0.10000E+01 volume 0.29933E-02 ppm1 0.911 ppm2 1.441 CV 1 ASSI { 914} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 914 spectrum 1 weight 0.10000E+01 volume 0.12087E-02 ppm1 1.466 ppm2 2.031 CV 1 ASSI { 916} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB2 )) 2.500 0.800 0.800 peak 916 spectrum 1 weight 0.10000E+01 volume 0.45802E-02 ppm1 0.836 ppm2 1.419 CV 1 ASSI { 921} (( segid " " and resid 10 and name HG )) ( segid " " and resid 10 and name HD2%) 2.000 0.500 0.500 peak 921 spectrum 1 weight 0.10000E+01 volume 0.14345E-01 ppm1 1.903 ppm2 1.088 CV 1 ASSI { 923} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HB2 )) 2.200 0.600 0.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.78413E-02 ppm1 1.716 ppm2 1.492 CV 1 ASSI { 924} (( segid " " and resid 5 and name HG )) ( segid " " and resid 5 and name HD1%) 2.500 0.800 0.800 peak 924 spectrum 1 weight 0.10000E+01 volume 0.33132E-02 ppm1 1.537 ppm2 0.565 CV 1 ASSI { 925} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HG12)) 1.700 0.400 0.500 peak 925 spectrum 1 weight 0.10000E+01 volume 0.80939E-02 ppm1 1.594 ppm2 1.171 CV 1 ASSI { 927} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HD1%) 2.300 0.600 0.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.50569E-02 ppm1 1.593 ppm2 0.883 CV 1 ASSI { 928} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HG2 )) 1.700 0.400 0.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.10281E-01 ppm1 1.429 ppm2 1.289 CV 1 ASSI { 930} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HD1%) 2.200 0.600 0.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.65394E-02 ppm1 1.169 ppm2 0.885 CV 1 ASSI { 933} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HG11)) 1.600 0.300 0.600 peak 933 spectrum 1 weight 0.10000E+01 volume 0.72436E-02 ppm1 1.480 ppm2 1.870 CV 1 ASSI { 934} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 934 spectrum 1 weight 0.10000E+01 volume 0.15684E-02 ppm1 1.546 ppm2 1.880 CV 1 ASSI { 937} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB1 )) 2.300 0.600 0.600 peak 937 spectrum 1 weight 0.10000E+01 volume 0.98819E-02 ppm1 1.724 ppm2 2.022 CV 1 OR { 937} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB1 )) ASSI { 938} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 67 and name HB2 )) 2.100 0.600 0.600 peak 938 spectrum 1 weight 0.10000E+01 volume 0.12517E-01 ppm1 1.726 ppm2 1.867 CV 1 OR { 938} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 67 and name HB2 )) ASSI { 939} (( segid " " and resid 43 and name HG )) (( segid " " and resid 43 and name HB1 )) 2.100 0.600 0.600 peak 939 spectrum 1 weight 0.10000E+01 volume 0.89349E-02 ppm1 1.784 ppm2 1.918 CV 1 ASSI { 943} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 38 and name HD1%) 2.600 0.800 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.23880E-02 ppm1 1.474 ppm2 0.936 CV 1 ASSI { 956} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HB1 )) 2.200 0.600 0.600 peak 956 spectrum 1 weight 0.10000E+01 volume 0.87667E-02 ppm1 2.096 ppm2 2.495 CV 1 OR { 956} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HB1 )) ASSI { 958} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD1 )) 2.400 0.700 0.700 peak 958 spectrum 1 weight 0.10000E+01 volume 0.52128E-02 ppm1 2.096 ppm2 4.032 CV 1 OR { 958} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD1 )) ASSI { 959} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HD2 )) 2.400 0.700 0.700 peak 959 spectrum 1 weight 0.10000E+01 volume 0.55461E-02 ppm1 2.096 ppm2 3.539 CV 1 OR { 959} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HD2 )) ASSI { 962} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HA )) 3.100 1.200 1.200 peak 962 spectrum 1 weight 0.10000E+01 volume 0.18314E-02 ppm1 1.630 ppm2 3.637 CV 1 ASSI { 964} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HD1 )) 3.300 1.400 1.400 peak 964 spectrum 1 weight 0.10000E+01 volume 0.12740E-02 ppm1 1.627 ppm2 3.489 CV 1 ASSI { 965} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD1 )) 2.900 1.100 1.100 peak 965 spectrum 1 weight 0.10000E+01 volume 0.12091E-02 ppm1 1.538 ppm2 3.482 CV 1 ASSI { 966} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HD2 )) 3.300 1.400 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.89452E-03 ppm1 1.632 ppm2 3.048 CV 1 ASSI { 967} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HD2 )) 3.000 1.100 1.100 peak 967 spectrum 1 weight 0.10000E+01 volume 0.19466E-02 ppm1 1.542 ppm2 3.038 CV 1 ASSI { 971} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 2.900 1.000 1.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.15931E-02 ppm1 1.430 ppm2 3.596 CV 1 ASSI { 976} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HA )) 3.000 1.100 1.100 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11738E-02 ppm1 1.533 ppm2 4.589 CV 1 ASSI { 980} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 49 and name HA )) 4.500 2.500 1.500 peak 980 spectrum 1 weight 0.10000E+01 volume 0.49912E-03 ppm1 1.590 ppm2 3.919 CV 1 ASSI { 987} (( segid " " and resid 5 and name HG )) (( segid " " and resid 5 and name HN )) 3.800 1.800 1.800 peak 987 spectrum 1 weight 0.10000E+01 volume 0.15613E-02 ppm1 1.534 ppm2 9.394 CV 1 ASSI { 989} (( segid " " and resid 60 and name HG11)) (( segid " " and resid 60 and name HN )) 2.700 0.900 0.900 peak 989 spectrum 1 weight 0.10000E+01 volume 0.15100E-02 ppm1 1.591 ppm2 8.904 CV 1 ASSI { 990} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 62 and name HN )) 5.200 3.400 0.800 peak 990 spectrum 1 weight 0.10000E+01 volume 0.50532E-03 ppm1 2.091 ppm2 8.629 CV 1 OR { 990} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 62 and name HN )) ASSI { 991} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 63 and name HN )) 5.100 3.300 0.900 peak 991 spectrum 1 weight 0.10000E+01 volume 0.37641E-03 ppm1 2.095 ppm2 8.406 CV 1 OR { 991} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 63 and name HN )) ASSI { 992} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HN )) 4.800 2.900 1.200 peak 992 spectrum 1 weight 0.10000E+01 volume 0.54700E-03 ppm1 1.624 ppm2 9.010 CV 1 ASSI { 994} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HN )) 2.300 0.600 0.600 peak 994 spectrum 1 weight 0.10000E+01 volume 0.33451E-02 ppm1 1.796 ppm2 8.470 CV 1 ASSI { 995} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HN )) 3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.20871E-02 ppm1 1.214 ppm2 8.469 CV 1 ASSI { 1007} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HA )) 3.800 1.800 1.800 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.13640E-02 ppm1 1.961 ppm2 4.243 CV 1 ASSI { 1008} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HA )) 3.300 1.300 1.300 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.13058E-02 ppm1 1.715 ppm2 4.240 CV 1 ASSI { 1011} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 75 and name HA )) 4.000 2.000 2.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.30110E-03 ppm1 1.791 ppm2 3.904 CV 1 ASSI { 1012} (( segid " " and resid 78 and name HG11)) (( segid " " and resid 78 and name HA )) 3.100 1.200 1.200 peak 1012 spectrum 1 weight 0.10000E+01 volume 0.22838E-02 ppm1 1.794 ppm2 3.763 CV 1 ASSI { 1013} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HA )) 2.600 0.800 0.800 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.25678E-02 ppm1 1.212 ppm2 3.766 CV 1 ASSI { 1017} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD2 )) 2.700 0.900 0.900 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.31365E-02 ppm1 1.677 ppm2 3.338 CV 1 OR { 1017} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HD1 )) ASSI { 1018} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HD2 )) 3.200 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.11916E-02 ppm1 1.626 ppm2 3.327 CV 1 ASSI { 1023} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) 3.300 1.400 1.400 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.15533E-02 ppm1 1.715 ppm2 2.194 CV 1 ASSI { 1024} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB1 )) 2.600 0.900 0.900 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.20213E-02 ppm1 1.626 ppm2 2.203 CV 1 ASSI { 1025} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HG1 )) 1.700 0.300 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.96885E-02 ppm1 1.711 ppm2 1.971 CV 1 ASSI { 1026} (( segid " " and resid 12 and name HG2 )) (( segid " " and resid 12 and name HG1 )) 1.800 0.400 0.400 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.10762E-01 ppm1 1.678 ppm2 1.912 CV 1 ASSI { 1027} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HG1 )) 1.800 0.400 0.400 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.58722E-02 ppm1 1.627 ppm2 1.923 CV 1 ASSI { 1028} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.24365E-02 ppm1 1.621 ppm2 1.813 CV 1 ASSI { 1031} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HB )) 3.100 1.200 1.200 peak 1031 spectrum 1 weight 0.10000E+01 volume 0.17206E-02 ppm1 1.215 ppm2 1.907 CV 1 ASSI { 1032} (( segid " " and resid 78 and name HG12)) (( segid " " and resid 78 and name HG11)) 1.600 0.300 0.600 peak 1032 spectrum 1 weight 0.10000E+01 volume 0.10293E-01 ppm1 1.215 ppm2 1.798 CV 1 ASSI { 1034} (( segid " " and resid 34 and name HG1 )) (( segid " " and resid 34 and name HB1 )) 2.900 1.000 1.000 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.40740E-02 ppm1 1.943 ppm2 2.196 CV 1 ASSI { 1041} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD1%) 2.900 1.100 1.100 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.11222E-02 ppm1 1.799 ppm2 1.062 CV 1 OR { 1041} (( segid " " and resid 78 and name HG11)) ( segid " " and resid 74 and name HD2%) ASSI { 1051} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HB1 )) 1.700 0.400 0.500 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.12773E-01 ppm1 2.205 ppm2 2.335 CV 1 ASSI { 1052} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 1.600 0.300 0.600 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.22020E-01 ppm1 2.133 ppm2 2.212 CV 1 ASSI { 1054} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG2 )) 2.300 0.600 0.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.11781E-01 ppm1 2.133 ppm2 2.449 CV 1 OR { 1054} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HG1 )) ASSI { 1055} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG1 )) 2.600 0.800 0.800 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.27889E-02 ppm1 2.110 ppm2 2.621 CV 1 ASSI { 1057} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG1 )) 2.400 0.700 0.700 peak 1057 spectrum 1 weight 0.10000E+01 volume 0.41545E-02 ppm1 2.204 ppm2 2.560 CV 1 ASSI { 1060} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HG1 )) 2.300 0.700 0.700 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.44947E-02 ppm1 2.348 ppm2 2.681 CV 1 ASSI { 1061} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HG1 )) 2.900 1.100 1.100 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.36766E-02 ppm1 2.313 ppm2 2.685 CV 1 ASSI { 1063} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HG2 )) 2.700 0.900 0.900 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.42441E-02 ppm1 2.330 ppm2 2.433 CV 1 ASSI { 1069} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 44 and name HA )) 3.600 1.600 1.600 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.28997E-02 ppm1 2.338 ppm2 4.341 CV 1 ASSI { 1072} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HA )) 2.700 0.900 0.900 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.27643E-02 ppm1 2.233 ppm2 4.188 CV 1 ASSI { 1079} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HA )) 3.000 1.100 1.100 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.33141E-02 ppm1 2.202 ppm2 4.250 CV 1 ASSI { 1084} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 54 and name HN )) 3.100 1.200 1.200 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.81036E-03 ppm1 2.349 ppm2 8.106 CV 1 ASSI { 1085} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.28439E-02 ppm1 2.349 ppm2 8.605 CV 1 ASSI { 1086} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 1086 spectrum 1 weight 0.10000E+01 volume 0.25815E-02 ppm1 2.331 ppm2 8.472 CV 1 ASSI { 1089} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.33638E-02 ppm1 2.205 ppm2 8.473 CV 1 ASSI { 1091} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 1091 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 2.110 ppm2 8.260 CV 1 ASSI { 1092} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.200 1.300 1.300 peak 1092 spectrum 1 weight 0.10000E+01 volume 0.23567E-02 ppm1 2.216 ppm2 9.628 CV 1 ASSI { 1098} (( segid " " and resid 38 and name HG11)) ( segid " " and resid 35 and name HD% ) 4.500 2.500 1.500 peak 1098 spectrum 1 weight 0.10000E+01 volume 0.44343E-03 ppm1 1.871 ppm2 7.241 CV 1 ASSI { 1099} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 40 and name HD% ) 4.900 3.000 1.100 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.56315E-03 ppm1 1.475 ppm2 7.004 CV 1 ASSI { 1100} (( segid " " and resid 38 and name HG12)) ( segid " " and resid 35 and name HD% ) 5.000 3.200 1.000 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.30003E-03 ppm1 1.472 ppm2 7.238 CV 1 ASSI { 1101} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 36 and name HN )) 3.100 1.200 1.200 peak 1101 spectrum 1 weight 0.10000E+01 volume 0.85728E-03 ppm1 2.202 ppm2 9.637 CV 1 ASSI { 1105} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.12941E-02 ppm1 1.628 ppm2 8.981 CV 1 ASSI { 1106} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HN )) 2.700 0.900 0.900 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.17245E-02 ppm1 1.817 ppm2 8.430 CV 1 ASSI { 1108} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 4.300 2.300 1.700 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.75563E-03 ppm1 1.626 ppm2 7.778 CV 1 ASSI { 1110} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HD% ) 4.500 2.500 1.500 peak 1110 spectrum 1 weight 0.10000E+01 volume 0.46023E-03 ppm1 1.443 ppm2 7.375 CV 1 ASSI { 1111} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) 2.700 0.900 0.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.22616E-02 ppm1 2.064 ppm2 8.758 CV 1 ASSI { 1113} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 69 and name HN )) 4.800 2.900 1.200 peak 1113 spectrum 1 weight 0.10000E+01 volume 0.32645E-03 ppm1 2.414 ppm2 9.182 CV 1 ASSI { 1114} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 69 and name HN )) 3.500 1.500 1.500 peak 1114 spectrum 1 weight 0.10000E+01 volume 0.59412E-03 ppm1 2.293 ppm2 9.176 CV 1 ASSI { 1117} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 1117 spectrum 1 weight 0.10000E+01 volume 0.17968E-02 ppm1 2.046 ppm2 8.533 CV 1 ASSI { 1118} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1118 spectrum 1 weight 0.10000E+01 volume 0.19474E-02 ppm1 2.007 ppm2 8.172 CV 1 ASSI { 1120} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HN )) 4.300 2.300 1.700 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.72328E-03 ppm1 2.013 ppm2 7.975 CV 1 ASSI { 1125} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 4.200 2.200 1.800 peak 1125 spectrum 1 weight 0.10000E+01 volume 0.67539E-03 ppm1 2.410 ppm2 7.906 CV 1 ASSI { 1126} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HN )) 3.300 1.400 1.400 peak 1126 spectrum 1 weight 0.10000E+01 volume 0.14333E-02 ppm1 2.243 ppm2 7.869 CV 1 ASSI { 1128} (( segid " " and resid 55 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.800 2.900 1.200 peak 1128 spectrum 1 weight 0.10000E+01 volume 0.27702E-03 ppm1 1.448 ppm2 6.818 CV 1 ASSI { 1129} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HE% ) 3.500 1.500 1.500 peak 1129 spectrum 1 weight 0.10000E+01 volume 0.73151E-03 ppm1 2.056 ppm2 7.231 CV 1 ASSI { 1130} (( segid " " and resid 11 and name HB1 )) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 1130 spectrum 1 weight 0.10000E+01 volume 0.77353E-03 ppm1 2.022 ppm2 7.237 CV 1 ASSI { 1133} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 30 and name HZ )) 3.400 1.500 1.500 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.50567E-03 ppm1 2.075 ppm2 7.315 CV 1 OR { 1133} (( segid " " and resid 11 and name HB2 )) ( segid " " and resid 30 and name HD% ) ASSI { 1137} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HA )) 3.400 1.500 1.500 peak 1137 spectrum 1 weight 0.10000E+01 volume 0.11327E-02 ppm1 1.816 ppm2 4.674 CV 1 ASSI { 1140} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HA )) 3.000 1.100 1.100 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.20806E-02 ppm1 2.100 ppm2 4.379 CV 1 ASSI { 1144} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 1144 spectrum 1 weight 0.10000E+01 volume 0.17156E-02 ppm1 2.026 ppm2 4.593 CV 1 ASSI { 1146} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.15052E-02 ppm1 2.006 ppm2 4.241 CV 1 ASSI { 1147} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HA )) 2.900 1.000 1.000 peak 1147 spectrum 1 weight 0.10000E+01 volume 0.13879E-02 ppm1 2.189 ppm2 4.246 CV 1 ASSI { 1150} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 68 and name HA )) 3.700 1.700 1.700 peak 1150 spectrum 1 weight 0.10000E+01 volume 0.50959E-03 ppm1 2.291 ppm2 4.538 CV 1 ASSI { 1151} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 68 and name HA )) 4.000 2.000 2.000 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.46979E-03 ppm1 2.415 ppm2 4.523 CV 1 ASSI { 1153} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 48 and name HA )) 4.600 2.600 1.400 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.78290E-03 ppm1 2.196 ppm2 3.937 CV 1 ASSI { 1157} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.800 1.000 1.000 peak 1157 spectrum 1 weight 0.10000E+01 volume 0.15490E-02 ppm1 2.063 ppm2 3.598 CV 1 ASSI { 1160} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HA )) 3.000 1.100 1.100 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.10771E-02 ppm1 1.627 ppm2 3.639 CV 1 ASSI { 1161} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD1 )) 4.200 2.200 1.800 peak 1161 spectrum 1 weight 0.10000E+01 volume 0.50836E-03 ppm1 1.624 ppm2 3.478 CV 1 ASSI { 1165} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD1 )) 4.500 2.500 1.500 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.50955E-03 ppm1 2.008 ppm2 3.439 CV 1 ASSI { 1167} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD2 )) 3.200 1.300 1.300 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.13273E-02 ppm1 2.029 ppm2 3.236 CV 1 OR { 1167} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HD1 )) ASSI { 1168} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD1 )) 3.500 1.500 1.500 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.94328E-03 ppm1 2.060 ppm2 3.219 CV 1 OR { 1168} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1173} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD1 )) 3.800 1.800 1.800 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.61140E-03 ppm1 2.187 ppm2 3.443 CV 1 ASSI { 1176} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HB2 )) 3.500 1.500 1.500 peak 1176 spectrum 1 weight 0.10000E+01 volume 0.65800E-03 ppm1 1.814 ppm2 3.003 CV 1 OR { 1176} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HB1 )) ASSI { 1177} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HD2 )) 3.600 1.700 1.700 peak 1177 spectrum 1 weight 0.10000E+01 volume 0.78686E-03 ppm1 1.625 ppm2 3.039 CV 1 ASSI { 1178} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 55 and name HD2 )) 3.500 1.500 1.500 peak 1178 spectrum 1 weight 0.10000E+01 volume 0.63974E-03 ppm1 1.448 ppm2 2.965 CV 1 ASSI { 1179} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 1.900 0.400 0.400 peak 1179 spectrum 1 weight 0.10000E+01 volume 0.69380E-02 ppm1 1.815 ppm2 2.202 CV 1 ASSI { 1180} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG1 )) 4.300 2.400 1.700 peak 1180 spectrum 1 weight 0.10000E+01 volume 0.39032E-03 ppm1 1.822 ppm2 2.448 CV 1 OR { 1180} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 36 and name HG2 )) ASSI { 1181} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 2.200 0.600 0.600 peak 1181 spectrum 1 weight 0.10000E+01 volume 0.21051E-02 ppm1 1.628 ppm2 1.876 CV 1 ASSI { 1186} (( segid " " and resid 84 and name HB2 )) (( segid " " and resid 84 and name HG1 )) 2.600 0.800 0.800 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.45878E-02 ppm1 2.099 ppm2 2.482 CV 1 ASSI { 1187} (( segid " " and resid 16 and name HB2 )) (( segid " " and resid 16 and name HG2 )) 3.000 1.100 1.100 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.43094E-02 ppm1 2.106 ppm2 2.380 CV 1 ASSI { 1188} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 2.500 0.800 0.800 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.76335E-02 ppm1 2.054 ppm2 2.378 CV 1 OR { 1188} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) ASSI { 1189} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG1 )) 2.600 0.900 0.900 peak 1189 spectrum 1 weight 0.10000E+01 volume 0.62210E-02 ppm1 2.248 ppm2 2.486 CV 1 ASSI { 1190} (( segid " " and resid 84 and name HB1 )) (( segid " " and resid 84 and name HG2 )) 2.600 0.800 0.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.41578E-02 ppm1 2.255 ppm2 2.426 CV 1 ASSI { 1197} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 34 and name HG1 )) 2.800 1.000 1.000 peak 1197 spectrum 1 weight 0.10000E+01 volume 0.13265E-02 ppm1 1.824 ppm2 1.927 CV 1 ASSI { 1199} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HB2 )) 1.900 0.400 0.400 peak 1199 spectrum 1 weight 0.10000E+01 volume 0.75610E-02 ppm1 2.408 ppm2 2.293 CV 1 ASSI { 1203} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.900 1.100 1.100 peak 1203 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 2.060 ppm2 1.430 CV 1 ASSI { 1205} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG2 )) 2.900 1.000 1.000 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.11006E-02 ppm1 2.030 ppm2 1.291 CV 1 ASSI { 1207} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG2 )) 3.500 1.500 1.500 peak 1207 spectrum 1 weight 0.10000E+01 volume 0.12705E-02 ppm1 2.063 ppm2 1.284 CV 1 ASSI { 1208} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HG )) 3.400 3.400 2.600 peak 1208 spectrum 1 weight 0.10000E+01 volume 0.32091E-03 ppm1 1.878 ppm2 1.279 CV 1 ASSI { 1211} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD1%) 5.100 3.200 0.900 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.57282E-03 ppm1 1.871 ppm2 0.520 CV 1 ASSI { 1213} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 31 and name HB2 )) 4.600 2.600 1.400 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.46393E-03 ppm1 1.632 ppm2 1.084 CV 1 ASSI { 1214} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 31 and name HD1%) 4.900 3.100 1.100 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.22976E-03 ppm1 1.629 ppm2 0.512 CV 1 ASSI { 1218} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 47 and name HN )) 3.300 1.300 1.300 peak 1218 spectrum 1 weight 0.10000E+01 volume 0.24647E-02 ppm1 2.330 ppm2 8.471 CV 1 OR { 1218} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 47 and name HN )) ASSI { 1223} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.18026E-02 ppm1 2.027 ppm2 7.921 CV 1 ASSI { 1225} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.56917E-03 ppm1 2.028 ppm2 7.747 CV 1 ASSI { 1226} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HN )) 3.900 1.900 1.900 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.59710E-03 ppm1 1.874 ppm2 7.751 CV 1 ASSI { 1227} (( segid " " and resid 55 and name HB1 )) ( segid " " and resid 56 and name HD% ) 3.300 1.400 1.400 peak 1227 spectrum 1 weight 0.10000E+01 volume 0.55693E-03 ppm1 1.791 ppm2 7.372 CV 1 ASSI { 1231} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 52 and name HA )) 3.100 1.200 1.200 peak 1231 spectrum 1 weight 0.10000E+01 volume 0.80337E-03 ppm1 1.792 ppm2 4.297 CV 1 ASSI { 1233} (( segid " " and resid 55 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.300 1.400 1.400 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.79792E-03 ppm1 1.447 ppm2 4.299 CV 1 ASSI { 1236} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) 3.000 1.100 1.100 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.21820E-02 ppm1 1.874 ppm2 3.251 CV 1 OR { 1236} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1237} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 64 and name HA )) 5.300 3.500 0.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.30913E-03 ppm1 2.025 ppm2 3.946 CV 1 ASSI { 1241} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 1241 spectrum 1 weight 0.10000E+01 volume 0.11661E-02 ppm1 1.797 ppm2 0.917 CV 1 ASSI { 1242} (( segid " " and resid 55 and name HB1 )) (( segid " " and resid 55 and name HB2 )) 1.800 0.400 0.400 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.83567E-02 ppm1 1.795 ppm2 1.445 CV 1 ASSI { 1250} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.500 1.500 1.500 peak 1250 spectrum 1 weight 0.10000E+01 volume 0.10146E-02 ppm1 1.875 ppm2 1.080 CV 1 OR { 1250} (( segid " " and resid 67 and name HB2 )) ( segid " " and resid 68 and name HG2%) ASSI { 1255} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD1%) 4.700 2.800 1.300 peak 1255 spectrum 1 weight 0.10000E+01 volume 0.14263E-02 ppm1 2.256 ppm2 0.522 CV 1 ASSI { 1257} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 31 and name HD2%) 3.700 1.700 1.700 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.10201E-02 ppm1 2.254 ppm2 0.847 CV 1 ASSI { 1258} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 31 and name HD2%) 3.500 1.500 1.500 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.34573E-03 ppm1 2.028 ppm2 0.843 CV 1 ASSI { 1259} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG2%) 3.100 1.200 1.200 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.22111E-02 ppm1 2.080 ppm2 1.001 CV 1 OR { 1259} (( segid " " and resid 61 and name HB2 )) ( segid " " and resid 64 and name HG1%) ASSI { 1261} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HG2 )) 2.900 1.000 1.000 peak 1261 spectrum 1 weight 0.10000E+01 volume 0.20682E-02 ppm1 2.254 ppm2 1.466 CV 1 ASSI { 1263} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG2%) 4.000 2.000 2.000 peak 1263 spectrum 1 weight 0.10000E+01 volume 0.11045E-02 ppm1 2.496 ppm2 1.003 CV 1 OR { 1263} (( segid " " and resid 61 and name HB1 )) ( segid " " and resid 64 and name HG1%) ASSI { 1264} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HB2 )) 1.600 0.300 0.600 peak 1264 spectrum 1 weight 0.10000E+01 volume 0.26737E-01 ppm1 2.497 ppm2 2.084 CV 1 OR { 1264} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG1 )) OR { 1264} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HG2 )) ASSI { 1269} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HB2 )) 4.200 2.200 1.800 peak 1269 spectrum 1 weight 0.10000E+01 volume 0.66392E-03 ppm1 2.843 ppm2 2.224 CV 1 ASSI { 1270} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HB2 )) 4.900 3.000 1.100 peak 1270 spectrum 1 weight 0.10000E+01 volume 0.60589E-03 ppm1 2.731 ppm2 2.225 CV 1 ASSI { 1271} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HB1 )) 1.900 0.400 0.400 peak 1271 spectrum 1 weight 0.10000E+01 volume 0.57200E-02 ppm1 2.032 ppm2 2.244 CV 1 OR { 1271} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HG1 )) ASSI { 1272} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HB1 )) 1.600 0.300 0.600 peak 1272 spectrum 1 weight 0.10000E+01 volume 0.16101E-01 ppm1 2.083 ppm2 2.496 CV 1 ASSI { 1273} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) 2.200 0.600 0.600 peak 1273 spectrum 1 weight 0.10000E+01 volume 0.12661E-01 ppm1 2.335 ppm2 2.842 CV 1 OR { 1273} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) ASSI { 1274} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.000 0.500 0.500 peak 1274 spectrum 1 weight 0.10000E+01 volume 0.12687E-01 ppm1 2.335 ppm2 2.728 CV 1 OR { 1274} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) ASSI { 1278} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HA )) 3.900 1.900 1.900 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.20642E-02 ppm1 2.253 ppm2 3.380 CV 1 ASSI { 1283} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HD1 )) 3.700 1.700 1.700 peak 1283 spectrum 1 weight 0.10000E+01 volume 0.16270E-02 ppm1 2.079 ppm2 4.035 CV 1 ASSI { 1284} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 61 and name HA )) 3.300 1.300 1.300 peak 1284 spectrum 1 weight 0.10000E+01 volume 0.16409E-02 ppm1 2.083 ppm2 4.532 CV 1 ASSI { 1285} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.27079E-02 ppm1 2.255 ppm2 4.240 CV 1 ASSI { 1287} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 61 and name HD1 )) 3.900 1.900 1.900 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.12333E-02 ppm1 2.498 ppm2 4.033 CV 1 ASSI { 1291} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HD% ) 3.500 1.500 1.500 peak 1291 spectrum 1 weight 0.10000E+01 volume 0.74447E-03 ppm1 2.255 ppm2 7.313 CV 1 ASSI { 1295} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 64 and name HN )) 2.800 1.000 1.000 peak 1295 spectrum 1 weight 0.10000E+01 volume 0.98849E-03 ppm1 2.086 ppm2 7.549 CV 1 ASSI { 1296} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 64 and name HN )) 4.500 2.500 1.500 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.43332E-03 ppm1 2.495 ppm2 7.549 CV 1 ASSI { 1297} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.13786E-02 ppm1 2.498 ppm2 8.629 CV 1 ASSI { 1298} (( segid " " and resid 61 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.600 1.600 1.600 peak 1298 spectrum 1 weight 0.10000E+01 volume 0.86473E-03 ppm1 2.497 ppm2 8.408 CV 1 ASSI { 1299} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.20305E-02 ppm1 2.844 ppm2 8.265 CV 1 ASSI { 1301} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 3.300 1.400 1.400 peak 1301 spectrum 1 weight 0.10000E+01 volume 0.47576E-03 ppm1 2.844 ppm2 8.472 CV 1 ASSI { 1302} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.300 2.300 1.700 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.61099E-03 ppm1 2.732 ppm2 8.466 CV 1 ASSI { 1303} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 62 and name HN )) 4.300 2.300 1.700 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.67493E-03 ppm1 2.080 ppm2 8.624 CV 1 ASSI { 1304} (( segid " " and resid 61 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.400 1.400 1.400 peak 1304 spectrum 1 weight 0.10000E+01 volume 0.10467E-02 ppm1 2.084 ppm2 8.407 CV 1 ASSI { 1305} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HN )) 4.300 2.400 1.700 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.66865E-03 ppm1 2.252 ppm2 8.983 CV 1 ASSI { 1307} (( segid " " and resid 68 and name HB )) (( segid " " and resid 70 and name HN )) 4.100 2.100 1.900 peak 1307 spectrum 1 weight 0.10000E+01 volume 0.56618E-03 ppm1 2.328 ppm2 7.407 CV 1 ASSI { 1310} (( segid " " and resid 68 and name HB )) (( segid " " and resid 69 and name HN )) 3.100 1.200 1.200 peak 1310 spectrum 1 weight 0.10000E+01 volume 0.14256E-02 ppm1 2.324 ppm2 9.173 CV 1 ASSI { 1311} (( segid " " and resid 68 and name HB )) ( segid " " and resid 35 and name HE% ) 3.700 1.700 1.700 peak 1311 spectrum 1 weight 0.10000E+01 volume 0.37983E-03 ppm1 2.329 ppm2 7.022 CV 1 ASSI { 1312} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HA )) 2.600 0.800 0.800 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.35535E-02 ppm1 2.327 ppm2 4.526 CV 1 ASSI { 1316} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HB2 )) 3.500 1.600 1.600 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.41880E-03 ppm1 2.316 ppm2 1.689 CV 1 ASSI { 1317} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG2%) 2.100 0.500 0.500 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.13575E-01 ppm1 2.326 ppm2 1.083 CV 1 OR { 1317} (( segid " " and resid 68 and name HB )) ( segid " " and resid 68 and name HG1%) ASSI { 1320} (( segid " " and resid 58 and name HB )) ( segid " " and resid 81 and name HB% ) 3.300 1.400 1.400 peak 1320 spectrum 1 weight 0.10000E+01 volume 0.97630E-03 ppm1 2.106 ppm2 1.630 CV 1 ASSI { 1322} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HA )) 2.400 0.700 0.700 peak 1322 spectrum 1 weight 0.10000E+01 volume 0.50477E-02 ppm1 2.102 ppm2 4.546 CV 1 ASSI { 1325} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 3.500 1.500 1.500 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.17712E-02 ppm1 2.101 ppm2 7.249 CV 1 ASSI { 1327} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HN )) 2.300 0.600 0.600 peak 1327 spectrum 1 weight 0.10000E+01 volume 0.40751E-02 ppm1 2.102 ppm2 8.424 CV 1 ASSI { 1328} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HN )) 5.100 3.200 0.900 peak 1328 spectrum 1 weight 0.10000E+01 volume 0.53249E-03 ppm1 2.355 ppm2 8.101 CV 1 ASSI { 1332} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HA )) 2.700 0.900 0.900 peak 1332 spectrum 1 weight 0.10000E+01 volume 0.17751E-02 ppm1 2.351 ppm2 4.205 CV 1 ASSI { 1338} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.33459E-02 ppm1 2.451 ppm2 9.627 CV 1 OR { 1338} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HN )) ASSI { 1339} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HN )) 3.600 1.700 1.700 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.38429E-03 ppm1 2.355 ppm2 8.905 CV 1 ASSI { 1341} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HN )) 2.400 0.700 0.700 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.25970E-02 ppm1 2.685 ppm2 8.603 CV 1 ASSI { 1345} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HN )) 3.500 1.600 1.600 peak 1345 spectrum 1 weight 0.10000E+01 volume 0.22144E-02 ppm1 2.351 ppm2 8.602 CV 1 ASSI { 1346} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HN )) 4.800 2.900 1.200 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.40438E-03 ppm1 2.683 ppm2 8.107 CV 1 ASSI { 1349} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 74 and name HN )) 4.900 3.000 1.100 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.36691E-03 ppm1 2.560 ppm2 7.908 CV 1 ASSI { 1350} (( segid " " and resid 73 and name HG1 )) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 1350 spectrum 1 weight 0.10000E+01 volume 0.44277E-03 ppm1 2.554 ppm2 7.413 CV 1 ASSI { 1351} (( segid " " and resid 73 and name HG2 )) (( segid " " and resid 70 and name HN )) 4.400 2.500 1.600 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.44842E-03 ppm1 2.492 ppm2 7.408 CV 1 ASSI { 1361} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HG2 )) 1.600 0.300 0.600 peak 1361 spectrum 1 weight 0.10000E+01 volume 0.14592E-01 ppm1 2.686 ppm2 2.347 CV 1 OR { 1361} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 53 and name HB2 )) ASSI { 1363} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 47 and name HB1 )) 2.600 0.900 0.900 peak 1363 spectrum 1 weight 0.10000E+01 volume 0.59448E-02 ppm1 2.560 ppm2 2.331 CV 1 ASSI { 1365} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 53 and name HG1 )) 1.600 0.300 0.600 peak 1365 spectrum 1 weight 0.10000E+01 volume 0.11827E-01 ppm1 2.350 ppm2 2.684 CV 1 ASSI { 1366} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 47 and name HG1 )) 1.600 0.300 0.600 peak 1366 spectrum 1 weight 0.10000E+01 volume 0.23025E-01 ppm1 2.439 ppm2 2.564 CV 1 ASSI { 1371} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HB1 )) 2.500 0.800 0.800 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.68984E-02 ppm1 2.387 ppm2 2.223 CV 1 OR { 1371} (( segid " " and resid 20 and name HG2 )) (( segid " " and resid 20 and name HB1 )) ASSI { 1374} (( segid " " and resid 84 and name HG1 )) (( segid " " and resid 84 and name HG2 )) 1.500 0.300 0.700 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.50998E-01 ppm1 2.494 ppm2 2.415 CV 1 ASSI { 1380} (( segid " " and resid 47 and name HG1 )) ( segid " " and resid 43 and name HD2%) 3.400 1.400 1.400 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.34632E-03 ppm1 2.560 ppm2 1.062 CV 1 ASSI { 1381} (( segid " " and resid 47 and name HG2 )) ( segid " " and resid 43 and name HD1%) 3.600 1.600 1.600 peak 1381 spectrum 1 weight 0.10000E+01 volume 0.78963E-03 ppm1 2.442 ppm2 1.042 CV 1 ASSI { 1384} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 43 and name HG )) 3.900 1.900 1.900 peak 1384 spectrum 1 weight 0.10000E+01 volume 0.29315E-03 ppm1 2.560 ppm2 1.779 CV 1 ASSI { 1385} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HD22)) 3.400 1.400 1.400 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.26837E-02 ppm1 3.104 ppm2 7.663 CV 1 ASSI { 1386} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HD21)) 2.900 1.100 1.100 peak 1386 spectrum 1 weight 0.10000E+01 volume 0.12293E-02 ppm1 3.103 ppm2 7.484 CV 1 ASSI { 1396} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HN )) 4.000 2.000 2.000 peak 1396 spectrum 1 weight 0.10000E+01 volume 0.13231E-02 ppm1 2.373 ppm2 8.259 CV 1 ASSI { 1399} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HA )) 2.900 1.100 1.100 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.16739E-02 ppm1 3.105 ppm2 4.891 CV 1 ASSI { 1400} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 76 and name HA )) 4.400 2.400 1.600 peak 1400 spectrum 1 weight 0.10000E+01 volume 0.12171E-02 ppm1 3.101 ppm2 4.501 CV 1 ASSI { 1402} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.300 1.300 1.300 peak 1402 spectrum 1 weight 0.10000E+01 volume 0.18738E-02 ppm1 2.799 ppm2 4.891 CV 1 ASSI { 1411} (( segid " " and resid 79 and name HB1 )) ( segid " " and resid 4 and name HD1%) 3.300 1.300 1.300 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.93243E-03 ppm1 3.101 ppm2 0.904 CV 1 ASSI { 1415} (( segid " " and resid 16 and name HG1 )) (( segid " " and resid 16 and name HB1 )) 3.000 1.100 1.100 peak 1415 spectrum 1 weight 0.10000E+01 volume 0.39359E-02 ppm1 2.624 ppm2 2.232 CV 1 ASSI { 1417} (( segid " " and resid 16 and name HG2 )) (( segid " " and resid 16 and name HB1 )) 2.400 0.700 0.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.53872E-02 ppm1 2.374 ppm2 2.235 CV 1 ASSI { 1425} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HD% ) 2.500 0.800 0.800 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.31436E-02 ppm1 3.125 ppm2 7.245 CV 1 ASSI { 1428} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HN )) 2.700 0.900 0.900 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.15025E-02 ppm1 3.126 ppm2 9.627 CV 1 ASSI { 1429} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.96741E-03 ppm1 3.446 ppm2 9.626 CV 1 ASSI { 1430} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.600 1.600 1.600 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.14626E-02 ppm1 3.444 ppm2 8.188 CV 1 ASSI { 1431} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HD% ) 2.600 0.800 0.800 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.29028E-02 ppm1 3.448 ppm2 7.245 CV 1 ASSI { 1434} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 2.500 0.800 0.800 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.25848E-02 ppm1 3.384 ppm2 7.601 CV 1 ASSI { 1435} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.59031E-03 ppm1 3.384 ppm2 7.300 CV 1 OR { 1435} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HZ )) ASSI { 1437} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HN )) 3.000 1.100 1.100 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.11451E-02 ppm1 3.381 ppm2 8.979 CV 1 ASSI { 1440} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HA )) 5.100 3.300 0.900 peak 1440 spectrum 1 weight 0.10000E+01 volume 0.50825E-03 ppm1 3.383 ppm2 4.234 CV 1 ASSI { 1443} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB2 )) 2.600 0.800 0.800 peak 1443 spectrum 1 weight 0.10000E+01 volume 0.17722E-02 ppm1 3.447 ppm2 2.886 CV 1 OR { 1443} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 40 and name HB1 )) ASSI { 1444} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 40 and name HB2 )) 4.500 2.500 1.500 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.78932E-03 ppm1 3.124 ppm2 2.894 CV 1 OR { 1444} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 40 and name HB1 )) ASSI { 1445} (( segid " " and resid 78 and name HB )) (( segid " " and resid 75 and name HA )) 3.000 1.200 1.200 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.12714E-02 ppm1 1.912 ppm2 3.906 CV 1 ASSI { 1446} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HA )) 2.900 1.000 1.000 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.25268E-02 ppm1 1.909 ppm2 3.764 CV 1 ASSI { 1448} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB1 )) 3.500 1.500 1.500 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.40418E-02 ppm1 3.382 ppm2 2.239 CV 1 OR { 1448} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG1 )) ASSI { 1449} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.000 0.500 0.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.45564E-02 ppm1 3.381 ppm2 2.031 CV 1 ASSI { 1452} (( segid " " and resid 31 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.300 1.300 1.300 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.88449E-03 ppm1 3.382 ppm2 1.471 CV 1 ASSI { 1454} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HG )) 3.000 1.200 1.200 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.19623E-02 ppm1 3.383 ppm2 1.294 CV 1 ASSI { 1455} (( segid " " and resid 31 and name HA )) ( segid " " and resid 31 and name HD1%) 3.200 1.300 1.300 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.67518E-02 ppm1 3.381 ppm2 0.522 CV 1 ASSI { 1458} (( segid " " and resid 78 and name HB )) ( segid " " and resid 5 and name HD1%) 3.300 1.400 1.400 peak 1458 spectrum 1 weight 0.10000E+01 volume 0.74807E-03 ppm1 1.906 ppm2 0.562 CV 1 ASSI { 1459} (( segid " " and resid 60 and name HB )) ( segid " " and resid 60 and name HD1%) 2.800 1.000 1.000 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.25006E-02 ppm1 1.922 ppm2 0.873 CV 1 ASSI { 1466} (( segid " " and resid 78 and name HB )) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.31114E-02 ppm1 1.908 ppm2 1.792 CV 1 ASSI { 1469} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD1 )) 4.700 2.700 1.300 peak 1469 spectrum 1 weight 0.10000E+01 volume 0.64638E-03 ppm1 1.918 ppm2 4.030 CV 1 ASSI { 1470} (( segid " " and resid 60 and name HB )) (( segid " " and resid 61 and name HD2 )) 4.800 2.900 1.200 peak 1470 spectrum 1 weight 0.10000E+01 volume 0.42806E-03 ppm1 1.918 ppm2 3.540 CV 1 ASSI { 1471} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HA )) 3.200 1.200 1.200 peak 1471 spectrum 1 weight 0.10000E+01 volume 0.13042E-02 ppm1 1.921 ppm2 4.487 CV 1 ASSI { 1480} (( segid " " and resid 38 and name HB )) ( segid " " and resid 40 and name HD% ) 3.800 1.800 1.800 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.55019E-03 ppm1 2.333 ppm2 7.009 CV 1 ASSI { 1482} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 58 and name HN )) 4.300 2.300 1.700 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.61999E-03 ppm1 3.442 ppm2 7.256 CV 1 ASSI { 1485} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HN )) 3.600 1.600 1.600 peak 1485 spectrum 1 weight 0.10000E+01 volume 0.21902E-02 ppm1 3.441 ppm2 8.014 CV 1 ASSI { 1487} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HE% ) 4.900 3.000 1.100 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.37574E-03 ppm1 2.881 ppm2 6.806 CV 1 ASSI { 1489} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HA )) 2.600 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.31476E-02 ppm1 3.443 ppm2 4.799 CV 1 ASSI { 1491} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 1.700 0.300 0.500 peak 1491 spectrum 1 weight 0.10000E+01 volume 0.14234E-01 ppm1 3.442 ppm2 2.876 CV 1 ASSI { 1496} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG11)) 2.400 0.700 0.700 peak 1496 spectrum 1 weight 0.10000E+01 volume 0.26235E-02 ppm1 2.334 ppm2 1.870 CV 1 ASSI { 1497} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HG12)) 3.400 1.400 1.400 peak 1497 spectrum 1 weight 0.10000E+01 volume 0.93150E-03 ppm1 2.337 ppm2 1.484 CV 1 ASSI { 1500} (( segid " " and resid 38 and name HB )) ( segid " " and resid 26 and name HD1%) 3.600 1.600 1.600 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.55353E-03 ppm1 2.328 ppm2 0.672 CV 1 ASSI { 1512} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HB1 )) 1.700 0.400 0.500 peak 1512 spectrum 1 weight 0.10000E+01 volume 0.22442E-01 ppm1 2.723 ppm2 2.872 CV 1 ASSI { 1513} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HB1 )) 1.700 0.300 0.500 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.28283E-01 ppm1 2.662 ppm2 2.884 CV 1 ASSI { 1515} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HB1 )) 1.700 0.300 0.500 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.14817E-01 ppm1 3.067 ppm2 3.352 CV 1 ASSI { 1518} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 2.500 0.800 0.800 peak 1518 spectrum 1 weight 0.10000E+01 volume 0.39683E-02 ppm1 3.068 ppm2 4.693 CV 1 ASSI { 1521} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 1521 spectrum 1 weight 0.10000E+01 volume 0.30917E-02 ppm1 2.882 ppm2 4.818 CV 1 ASSI { 1522} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 2.800 0.900 0.900 peak 1522 spectrum 1 weight 0.10000E+01 volume 0.27544E-02 ppm1 2.661 ppm2 4.818 CV 1 ASSI { 1524} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 1524 spectrum 1 weight 0.10000E+01 volume 0.50770E-02 ppm1 2.722 ppm2 4.635 CV 1 ASSI { 1527} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 40 and name HE% ) 4.600 2.700 1.400 peak 1527 spectrum 1 weight 0.10000E+01 volume 0.53126E-03 ppm1 2.902 ppm2 6.759 CV 1 OR { 1527} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 40 and name HE% ) ASSI { 1528} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 30 and name HD% ) 2.400 0.700 0.700 peak 1528 spectrum 1 weight 0.10000E+01 volume 0.38952E-02 ppm1 3.066 ppm2 7.325 CV 1 ASSI { 1536} (( segid " " and resid 76 and name HB1 )) (( segid " " and resid 77 and name HN )) 3.100 1.200 1.200 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.11578E-02 ppm1 2.780 ppm2 7.944 CV 1 ASSI { 1537} (( segid " " and resid 76 and name HB2 )) (( segid " " and resid 77 and name HN )) 3.800 1.800 1.800 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.15177E-02 ppm1 2.718 ppm2 7.940 CV 1 ASSI { 1539} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 5 and name HD2%) 3.800 1.800 1.800 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.14207E-02 ppm1 2.996 ppm2 0.585 CV 1 ASSI { 1540} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HG )) 3.600 1.600 1.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.14504E-02 ppm1 2.998 ppm2 1.541 CV 1 OR { 1540} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB1 )) ASSI { 1541} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HG )) 3.300 1.400 1.400 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.13819E-02 ppm1 2.624 ppm2 1.545 CV 1 OR { 1541} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 5 and name HB1 )) ASSI { 1546} (( segid " " and resid 45 and name HB2 )) ( segid " " and resid 45 and name HD2%) 2.900 1.000 1.000 peak 1546 spectrum 1 weight 0.10000E+01 volume 0.28272E-02 ppm1 1.407 ppm2 0.579 CV 1 ASSI { 1548} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD2%) 2.700 0.900 0.900 peak 1548 spectrum 1 weight 0.10000E+01 volume 0.31456E-02 ppm1 1.489 ppm2 0.806 CV 1 ASSI { 1549} (( segid " " and resid 26 and name HB1 )) ( segid " " and resid 26 and name HD1%) 3.800 1.800 1.800 peak 1549 spectrum 1 weight 0.10000E+01 volume 0.17073E-02 ppm1 1.488 ppm2 0.667 CV 1 ASSI { 1556} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 43 and name HD1%) 2.800 1.000 1.000 peak 1556 spectrum 1 weight 0.10000E+01 volume 0.31273E-02 ppm1 1.797 ppm2 1.037 CV 1 ASSI { 1558} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HB2 )) 1.700 0.400 0.500 peak 1558 spectrum 1 weight 0.10000E+01 volume 0.94544E-02 ppm1 1.808 ppm2 1.408 CV 1 ASSI { 1560} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HB2 )) 1.700 0.400 0.500 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.13224E-01 ppm1 2.996 ppm2 2.626 CV 1 ASSI { 1562} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HB2 )) 1.700 0.400 0.500 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.11954E-01 ppm1 1.487 ppm2 1.339 CV 1 ASSI { 1563} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HG )) 2.700 0.900 0.900 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.54777E-02 ppm1 1.340 ppm2 1.583 CV 1 ASSI { 1566} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HG )) 2.600 0.900 0.900 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.54489E-02 ppm1 1.405 ppm2 1.628 CV 1 ASSI { 1567} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HB2 )) 1.500 0.300 0.700 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.28624E-01 ppm1 1.920 ppm2 1.799 CV 1 OR { 1567} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG )) ASSI { 1568} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HB1 )) 1.500 0.300 0.700 peak 1568 spectrum 1 weight 0.10000E+01 volume 0.24167E-01 ppm1 1.803 ppm2 1.921 CV 1 ASSI { 1571} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HA )) 3.000 1.100 1.100 peak 1571 spectrum 1 weight 0.10000E+01 volume 0.30232E-02 ppm1 1.922 ppm2 4.267 CV 1 ASSI { 1573} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 42 and name HA )) 3.200 1.300 1.300 peak 1573 spectrum 1 weight 0.10000E+01 volume 0.14954E-02 ppm1 1.405 ppm2 4.211 CV 1 ASSI { 1579} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HA )) 2.500 0.800 0.800 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.70121E-02 ppm1 2.695 ppm2 4.597 CV 1 OR { 1579} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) ASSI { 1583} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HA )) 2.900 1.000 1.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.27621E-02 ppm1 2.733 ppm2 4.717 CV 1 ASSI { 1584} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HN )) 3.500 1.500 1.500 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.20348E-02 ppm1 2.995 ppm2 7.933 CV 1 ASSI { 1586} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) 2.600 0.800 0.800 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.55801E-02 ppm1 2.694 ppm2 8.178 CV 1 OR { 1586} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HN )) ASSI { 1587} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 10 and name HN )) 2.900 1.000 1.000 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.15047E-02 ppm1 2.626 ppm2 7.934 CV 1 ASSI { 1590} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 1590 spectrum 1 weight 0.10000E+01 volume 0.30850E-02 ppm1 1.811 ppm2 8.412 CV 1 ASSI { 1595} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.500 0.800 0.800 peak 1595 spectrum 1 weight 0.10000E+01 volume 0.39850E-02 ppm1 1.803 ppm2 7.915 CV 1 ASSI { 1596} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.900 1.000 1.000 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.15227E-02 ppm1 1.338 ppm2 8.480 CV 1 ASSI { 1597} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.600 0.900 0.900 peak 1597 spectrum 1 weight 0.10000E+01 volume 0.29713E-02 ppm1 1.404 ppm2 8.412 CV 1 ASSI { 1598} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.13332E-02 ppm1 1.403 ppm2 8.269 CV 1 ASSI { 1601} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HN )) 2.900 1.000 1.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.27284E-02 ppm1 2.734 ppm2 8.588 CV 1 ASSI { 1602} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 26 and name HN )) 4.600 2.600 1.400 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.55245E-03 ppm1 2.732 ppm2 8.482 CV 1 ASSI { 1604} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 2.600 0.800 0.800 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.49632E-02 ppm1 2.763 ppm2 8.629 CV 1 OR { 1604} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) ASSI { 1605} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 63 and name HN )) 3.200 1.300 1.300 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.19460E-02 ppm1 2.762 ppm2 8.408 CV 1 OR { 1605} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) ASSI { 1606} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 6 and name HN )) 2.700 0.900 0.900 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.15817E-02 ppm1 2.627 ppm2 9.176 CV 1 ASSI { 1608} (( segid " " and resid 25 and name HB2 )) (( segid " " and resid 25 and name HB1 )) 1.600 0.300 0.600 peak 1608 spectrum 1 weight 0.10000E+01 volume 0.30709E-01 ppm1 2.734 ppm2 2.866 CV 1 ASSI { 1610} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.600 0.900 0.900 peak 1610 spectrum 1 weight 0.10000E+01 volume 0.20106E-02 ppm1 1.088 ppm2 7.604 CV 1 ASSI { 1612} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 41 and name HN )) 3.600 1.600 1.600 peak 1612 spectrum 1 weight 0.10000E+01 volume 0.18791E-02 ppm1 3.264 ppm2 8.252 CV 1 ASSI { 1614} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.19374E-02 ppm1 2.877 ppm2 8.254 CV 1 ASSI { 1616} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HN )) 2.700 0.900 0.900 peak 1616 spectrum 1 weight 0.10000E+01 volume 0.35746E-02 ppm1 2.372 ppm2 8.016 CV 1 ASSI { 1617} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.100 1.200 1.200 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.36901E-02 ppm1 2.246 ppm2 8.543 CV 1 ASSI { 1619} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 11 and name HN )) 2.600 0.800 0.800 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.19156E-02 ppm1 2.205 ppm2 8.759 CV 1 ASSI { 1623} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HN )) 3.200 1.300 1.300 peak 1623 spectrum 1 weight 0.10000E+01 volume 0.39540E-02 ppm1 1.932 ppm2 8.291 CV 1 ASSI { 1627} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 76 and name HN )) 4.000 2.000 2.000 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.13727E-02 ppm1 1.646 ppm2 8.434 CV 1 ASSI { 1628} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.500 2.500 3.500 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.23122E-02 ppm1 1.407 ppm2 8.543 CV 1 ASSI { 1629} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 15 and name HN )) 3.100 1.200 1.200 peak 1629 spectrum 1 weight 0.10000E+01 volume 0.98186E-03 ppm1 1.458 ppm2 8.432 CV 1 ASSI { 1631} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 35 and name HZ )) 2.800 1.000 1.000 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.10489E-02 ppm1 1.671 ppm2 6.911 CV 1 ASSI { 1632} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.34624E-02 ppm1 1.651 ppm2 7.603 CV 1 ASSI { 1633} (( segid " " and resid 41 and name HB1 )) (( segid " " and resid 43 and name HN )) 3.600 1.600 1.600 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.64221E-03 ppm1 3.258 ppm2 7.915 CV 1 ASSI { 1635} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HN )) 5.100 3.200 0.900 peak 1635 spectrum 1 weight 0.10000E+01 volume 0.44633E-03 ppm1 1.080 ppm2 9.011 CV 1 ASSI { 1636} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 35 and name HZ )) 4.300 2.300 1.700 peak 1636 spectrum 1 weight 0.10000E+01 volume 0.63851E-03 ppm1 2.450 ppm2 6.915 CV 1 ASSI { 1637} (( segid " " and resid 32 and name HB1 )) (( segid " " and resid 32 and name HA )) 2.900 1.100 1.100 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.36378E-02 ppm1 3.045 ppm2 5.045 CV 1 ASSI { 1643} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HA )) 3.000 1.100 1.100 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.20690E-02 ppm1 2.203 ppm2 4.188 CV 1 ASSI { 1647} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 72 and name HA )) 2.800 1.000 1.000 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 2.044 ppm2 3.640 CV 1 ASSI { 1648} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 11 and name HA )) 4.300 2.300 1.700 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.90347E-03 ppm1 1.932 ppm2 3.600 CV 1 ASSI { 1654} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 1654 spectrum 1 weight 0.10000E+01 volume 0.13965E-02 ppm1 1.648 ppm2 3.381 CV 1 ASSI { 1655} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HA )) 3.100 1.200 1.200 peak 1655 spectrum 1 weight 0.10000E+01 volume 0.15713E-02 ppm1 1.087 ppm2 3.383 CV 1 ASSI { 1657} (( segid " " and resid 32 and name HB2 )) (( segid " " and resid 32 and name HB1 )) 1.700 0.400 0.500 peak 1657 spectrum 1 weight 0.10000E+01 volume 0.19634E-01 ppm1 2.372 ppm2 3.044 CV 1 ASSI { 1658} (( segid " " and resid 41 and name HB2 )) (( segid " " and resid 41 and name HB1 )) 1.800 0.400 0.400 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.14836E-01 ppm1 2.878 ppm2 3.262 CV 1 ASSI { 1662} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HB1 )) 1.700 0.300 0.500 peak 1662 spectrum 1 weight 0.10000E+01 volume 0.88937E-02 ppm1 1.662 ppm2 2.202 CV 1 ASSI { 1665} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HB1 )) 1.700 0.400 0.500 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.10470E-01 ppm1 1.406 ppm2 2.245 CV 1 ASSI { 1666} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HG )) 2.600 0.800 0.800 peak 1666 spectrum 1 weight 0.10000E+01 volume 0.18819E-02 ppm1 1.407 ppm2 2.055 CV 1 ASSI { 1668} (( segid " " and resid 14 and name HB2 )) (( segid " " and resid 14 and name HB1 )) 1.900 0.400 0.400 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.58820E-02 ppm1 1.460 ppm2 1.927 CV 1 ASSI { 1670} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB1 )) 4.800 2.900 1.200 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.14778E-02 ppm1 1.082 ppm2 1.883 CV 1 ASSI { 1673} (( segid " " and resid 75 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 1.700 0.300 0.500 peak 1673 spectrum 1 weight 0.10000E+01 volume 0.10909E-01 ppm1 2.044 ppm2 1.653 CV 1 ASSI { 1676} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HB2 )) 1.700 0.300 0.500 peak 1676 spectrum 1 weight 0.10000E+01 volume 0.93325E-02 ppm1 2.448 ppm2 1.687 CV 1 ASSI { 1682} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HG )) 2.400 0.700 0.700 peak 1682 spectrum 1 weight 0.10000E+01 volume 0.53280E-02 ppm1 2.448 ppm2 1.043 CV 1 OR { 1682} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD1%) OR { 1682} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1689} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD1%) 2.500 0.800 0.800 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.46960E-02 ppm1 2.044 ppm2 0.827 CV 1 OR { 1689} (( segid " " and resid 75 and name HB1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1697} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD2%) 3.600 1.600 1.600 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.21320E-02 ppm1 1.080 ppm2 0.815 CV 1 ASSI { 1699} (( segid " " and resid 14 and name HB2 )) ( segid " " and resid 14 and name HD2%) 2.800 1.000 1.000 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 1.460 ppm2 0.849 CV 1 ASSI { 1703} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HG )) 3.000 1.100 1.100 peak 1703 spectrum 1 weight 0.10000E+01 volume 0.26797E-02 ppm1 1.652 ppm2 1.286 CV 1 ASSI { 1704} (( segid " " and resid 14 and name HB1 )) (( segid " " and resid 14 and name HG )) 2.600 0.800 0.800 peak 1704 spectrum 1 weight 0.10000E+01 volume 0.28721E-02 ppm1 1.931 ppm2 1.745 CV 1 ASSI { 1705} (( segid " " and resid 10 and name HB1 )) (( segid " " and resid 10 and name HG )) 2.400 0.700 0.700 peak 1705 spectrum 1 weight 0.10000E+01 volume 0.31168E-02 ppm1 2.206 ppm2 1.898 CV 1 ASSI { 1707} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB2 )) 2.700 0.900 0.900 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.46551E-02 ppm1 3.484 ppm2 1.629 CV 1 OR { 1707} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HG1 )) ASSI { 1708} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HB1 )) 3.800 1.800 1.800 peak 1708 spectrum 1 weight 0.10000E+01 volume 0.92224E-03 ppm1 3.483 ppm2 1.878 CV 1 ASSI { 1709} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HD2 )) 1.700 0.400 0.500 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.11913E-01 ppm1 3.484 ppm2 3.043 CV 1 ASSI { 1710} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB2 )) 3.500 1.600 1.600 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.98994E-03 ppm1 3.067 ppm2 1.448 CV 1 ASSI { 1712} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG1 )) 3.000 1.100 1.100 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.25664E-02 ppm1 3.066 ppm2 1.316 CV 1 ASSI { 1713} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG1 )) 2.700 0.900 0.900 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.23415E-02 ppm1 2.962 ppm2 1.319 CV 1 ASSI { 1714} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HG2 )) 2.600 0.800 0.800 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.32135E-02 ppm1 3.065 ppm2 0.910 CV 1 ASSI { 1715} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HG2 )) 3.000 1.100 1.100 peak 1715 spectrum 1 weight 0.10000E+01 volume 0.25487E-02 ppm1 2.962 ppm2 0.910 CV 1 ASSI { 1716} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HG1 )) 2.600 0.800 0.800 peak 1716 spectrum 1 weight 0.10000E+01 volume 0.43766E-02 ppm1 3.040 ppm2 1.629 CV 1 OR { 1716} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1718} (( segid " " and resid 55 and name HD1 )) (( segid " " and resid 55 and name HB1 )) 3.300 1.300 1.300 peak 1718 spectrum 1 weight 0.10000E+01 volume 0.83402E-03 ppm1 3.070 ppm2 1.797 CV 1 ASSI { 1719} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HB1 )) 3.300 1.400 1.400 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.92811E-03 ppm1 2.961 ppm2 1.797 CV 1 ASSI { 1720} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 1720 spectrum 1 weight 0.10000E+01 volume 0.90156E-03 ppm1 3.036 ppm2 1.868 CV 1 ASSI { 1727} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 5 and name HD1%) 2.900 1.000 1.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.19227E-02 ppm1 1.547 ppm2 0.566 CV 1 ASSI { 1728} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD1%) 2.900 1.000 1.000 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.22364E-02 ppm1 1.453 ppm2 0.572 CV 1 OR { 1728} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 5 and name HD2%) ASSI { 1734} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD1%) 2.800 1.000 1.000 peak 1734 spectrum 1 weight 0.10000E+01 volume 0.27613E-02 ppm1 1.803 ppm2 0.945 CV 1 ASSI { 1735} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 1.700 0.400 0.500 peak 1735 spectrum 1 weight 0.10000E+01 volume 0.11786E-01 ppm1 1.784 ppm2 1.424 CV 1 ASSI { 1737} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 1.700 0.400 0.500 peak 1737 spectrum 1 weight 0.10000E+01 volume 0.12673E-01 ppm1 1.422 ppm2 1.782 CV 1 OR { 1737} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HG )) ASSI { 1739} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HB1 )) 1.700 0.300 0.500 peak 1739 spectrum 1 weight 0.10000E+01 volume 0.13654E-01 ppm1 1.487 ppm2 1.617 CV 1 ASSI { 1740} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HB1 )) 1.600 0.300 0.600 peak 1740 spectrum 1 weight 0.10000E+01 volume 0.15628E-01 ppm1 1.576 ppm2 1.969 CV 1 ASSI { 1741} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HG )) 2.600 0.800 0.800 peak 1741 spectrum 1 weight 0.10000E+01 volume 0.36127E-02 ppm1 1.574 ppm2 1.871 CV 1 ASSI { 1744} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 1744 spectrum 1 weight 0.10000E+01 volume 0.22567E-02 ppm1 1.971 ppm2 4.891 CV 1 ASSI { 1746} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 4 and name HA )) 2.600 0.900 0.900 peak 1746 spectrum 1 weight 0.10000E+01 volume 0.24438E-02 ppm1 1.618 ppm2 4.352 CV 1 ASSI { 1747} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HA )) 2.800 1.000 1.000 peak 1747 spectrum 1 weight 0.10000E+01 volume 0.32141E-02 ppm1 1.575 ppm2 4.275 CV 1 ASSI { 1749} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HA )) 3.000 1.100 1.100 peak 1749 spectrum 1 weight 0.10000E+01 volume 0.20872E-02 ppm1 1.549 ppm2 4.587 CV 1 ASSI { 1750} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 5 and name HA )) 2.700 0.900 0.900 peak 1750 spectrum 1 weight 0.10000E+01 volume 0.19509E-02 ppm1 1.452 ppm2 4.589 CV 1 ASSI { 1751} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.000 1.100 1.100 peak 1751 spectrum 1 weight 0.10000E+01 volume 0.13521E-02 ppm1 1.575 ppm2 4.894 CV 1 ASSI { 1752} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 30 and name HA )) 4.800 2.900 1.200 peak 1752 spectrum 1 weight 0.10000E+01 volume 0.55394E-03 ppm1 1.785 ppm2 4.692 CV 1 ASSI { 1753} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 2.900 1.000 1.000 peak 1753 spectrum 1 weight 0.10000E+01 volume 0.14091E-02 ppm1 1.783 ppm2 4.355 CV 1 ASSI { 1756} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH11)) 3.300 1.400 1.400 peak 1756 spectrum 1 weight 0.10000E+01 volume 0.23719E-02 ppm1 3.483 ppm2 6.920 CV 1 OR { 1756} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH12)) OR { 1756} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HH21)) ASSI { 1757} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH11)) 2.800 1.000 1.000 peak 1757 spectrum 1 weight 0.10000E+01 volume 0.15033E-02 ppm1 3.044 ppm2 6.917 CV 1 OR { 1757} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH12)) OR { 1757} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HH22)) ASSI { 1759} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1759 spectrum 1 weight 0.10000E+01 volume 0.27785E-02 ppm1 1.784 ppm2 7.245 CV 1 ASSI { 1761} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 83 and name HN )) 3.300 1.400 1.400 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.93011E-03 ppm1 1.576 ppm2 7.958 CV 1 ASSI { 1763} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.23141E-02 ppm1 1.579 ppm2 8.229 CV 1 ASSI { 1765} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HN )) 2.600 0.900 0.900 peak 1765 spectrum 1 weight 0.10000E+01 volume 0.24522E-02 ppm1 1.489 ppm2 8.193 CV 1 ASSI { 1767} (( segid " " and resid 72 and name HD2 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 1767 spectrum 1 weight 0.10000E+01 volume 0.38441E-02 ppm1 3.040 ppm2 9.053 CV 1 ASSI { 1768} (( segid " " and resid 72 and name HD1 )) (( segid " " and resid 72 and name HE )) 2.700 0.900 0.900 peak 1768 spectrum 1 weight 0.10000E+01 volume 0.28425E-02 ppm1 3.484 ppm2 9.051 CV 1 ASSI { 1769} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 78 and name HN )) 2.500 0.800 0.800 peak 1769 spectrum 1 weight 0.10000E+01 volume 0.44198E-02 ppm1 1.989 ppm2 8.469 CV 1 OR { 1769} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 78 and name HN )) ASSI { 1771} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 5 and name HN )) 2.700 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.23030E-02 ppm1 1.549 ppm2 9.391 CV 1 ASSI { 1773} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.900 1.900 1.900 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.92461E-03 ppm1 1.547 ppm2 9.179 CV 1 ASSI { 1776} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) 3.700 1.700 1.700 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.16730E-02 ppm1 1.490 ppm2 9.393 CV 1 ASSI { 1777} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 34 and name HN )) 3.500 1.500 1.500 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.75666E-03 ppm1 1.782 ppm2 8.433 CV 1 ASSI { 1778} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HE )) 3.200 1.300 1.300 peak 1778 spectrum 1 weight 0.10000E+01 volume 0.11965E-02 ppm1 3.429 ppm2 7.890 CV 1 ASSI { 1779} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HE )) 3.200 1.200 1.200 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.12629E-02 ppm1 3.325 ppm2 7.887 CV 1 ASSI { 1781} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HN )) 5.000 3.100 1.000 peak 1781 spectrum 1 weight 0.10000E+01 volume 0.45112E-03 ppm1 3.422 ppm2 8.435 CV 1 ASSI { 1784} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.800 1.000 1.000 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.25981E-02 ppm1 2.803 ppm2 9.176 CV 1 ASSI { 1785} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.80208E-03 ppm1 2.934 ppm2 7.405 CV 1 ASSI { 1788} (( segid " " and resid 5 and name HB1 )) (( segid " " and resid 79 and name HD21)) 4.300 2.300 1.700 peak 1788 spectrum 1 weight 0.10000E+01 volume 0.80198E-03 ppm1 1.551 ppm2 7.485 CV 1 ASSI { 1789} (( segid " " and resid 5 and name HB2 )) (( segid " " and resid 79 and name HD21)) 5.600 3.900 0.400 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.49066E-03 ppm1 1.451 ppm2 7.490 CV 1 ASSI { 1793} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 68 and name HA )) 4.700 2.800 1.300 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.43477E-03 ppm1 2.804 ppm2 4.538 CV 1 ASSI { 1794} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 68 and name HA )) 5.300 3.500 0.700 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.40154E-03 ppm1 2.939 ppm2 4.521 CV 1 ASSI { 1795} (( segid " " and resid 55 and name HD2 )) (( segid " " and resid 55 and name HA )) 4.500 2.500 1.500 peak 1795 spectrum 1 weight 0.10000E+01 volume 0.59401E-03 ppm1 2.965 ppm2 4.101 CV 1 ASSI { 1796} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 64 and name HA )) 3.100 1.200 1.200 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.15294E-02 ppm1 3.251 ppm2 3.933 CV 1 OR { 1796} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 64 and name HA )) ASSI { 1799} (( segid " " and resid 11 and name HD1 )) (( segid " " and resid 27 and name HA )) 3.700 1.700 1.700 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.64437E-03 ppm1 3.217 ppm2 4.341 CV 1 OR { 1799} (( segid " " and resid 11 and name HD2 )) (( segid " " and resid 27 and name HA )) ASSI { 1800} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HA )) 3.400 1.500 1.500 peak 1800 spectrum 1 weight 0.10000E+01 volume 0.67858E-03 ppm1 3.292 ppm2 4.234 CV 1 ASSI { 1803} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) 4.100 2.100 1.900 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.11702E-02 ppm1 3.252 ppm2 4.611 CV 1 OR { 1803} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HA )) ASSI { 1806} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG1%) 3.200 1.200 1.200 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 3.252 ppm2 0.997 CV 1 OR { 1806} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG1%) OR { 1806} (( segid " " and resid 67 and name HD1 )) ( segid " " and resid 64 and name HG2%) OR { 1806} (( segid " " and resid 67 and name HD2 )) ( segid " " and resid 64 and name HG2%) ASSI { 1807} (( segid " " and resid 34 and name HD1 )) ( segid " " and resid 70 and name HG2%) 5.200 3.300 0.800 peak 1807 spectrum 1 weight 0.10000E+01 volume 0.34882E-03 ppm1 3.423 ppm2 1.018 CV 1 ASSI { 1808} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG1 )) 2.600 0.900 0.900 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.37775E-02 ppm1 3.434 ppm2 1.939 CV 1 ASSI { 1809} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.15274E-02 ppm1 3.429 ppm2 1.813 CV 1 ASSI { 1810} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HG2 )) 2.500 0.800 0.800 peak 1810 spectrum 1 weight 0.10000E+01 volume 0.28654E-02 ppm1 3.440 ppm2 1.714 CV 1 ASSI { 1811} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HG2 )) 2.500 0.800 0.800 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.35085E-02 ppm1 3.432 ppm2 1.630 CV 1 ASSI { 1812} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG2 )) 2.300 0.600 0.600 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.85146E-02 ppm1 3.253 ppm2 1.725 CV 1 OR { 1812} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG1 )) OR { 1812} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HG1 )) OR { 1812} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HG2 )) ASSI { 1813} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG2 )) 2.300 0.700 0.700 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.49200E-02 ppm1 3.305 ppm2 1.682 CV 1 ASSI { 1814} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HG2 )) 2.900 1.100 1.100 peak 1814 spectrum 1 weight 0.10000E+01 volume 0.27720E-02 ppm1 3.354 ppm2 1.669 CV 1 ASSI { 1817} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HB2 )) 3.000 1.100 1.100 peak 1817 spectrum 1 weight 0.10000E+01 volume 0.17184E-02 ppm1 3.326 ppm2 1.811 CV 1 ASSI { 1818} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB1 )) 3.000 1.100 1.100 peak 1818 spectrum 1 weight 0.10000E+01 volume 0.26661E-02 ppm1 3.361 ppm2 2.021 CV 1 OR { 1818} (( segid " " and resid 12 and name HD1 )) (( segid " " and resid 12 and name HB2 )) ASSI { 1820} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 51 and name HB1 )) 2.800 1.000 1.000 peak 1820 spectrum 1 weight 0.10000E+01 volume 0.22251E-02 ppm1 3.304 ppm2 2.199 CV 1 ASSI { 1822} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HB2 )) 1.700 0.300 0.500 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.22705E-01 ppm1 2.930 ppm2 2.802 CV 1 ASSI { 1824} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HA )) 4.700 2.800 1.300 peak 1824 spectrum 1 weight 0.10000E+01 volume 0.50812E-03 ppm1 3.428 ppm2 4.678 CV 1 ASSI { 1835} (( segid " " and resid 28 and name HA2 )) (( segid " " and resid 28 and name HA1 )) 1.700 0.400 0.500 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.20124E-01 ppm1 3.895 ppm2 4.260 CV 1 ASSI { 1836} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HA2 )) 1.700 0.300 0.500 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.24585E-01 ppm1 4.248 ppm2 3.817 CV 1 ASSI { 1838} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB1 )) 3.400 1.400 1.400 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.57056E-03 ppm1 4.062 ppm2 2.805 CV 1 OR { 1838} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB1 )) OR { 1838} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HB2 )) OR { 1838} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HB2 )) ASSI { 1840} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 15 and name HG1%) 3.500 1.600 1.600 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.82065E-03 ppm1 4.062 ppm2 1.047 CV 1 ASSI { 1842} (( segid " " and resid 66 and name HA1 )) ( segid " " and resid 65 and name HB% ) 4.700 2.700 1.300 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.37359E-03 ppm1 4.125 ppm2 1.454 CV 1 ASSI { 1843} (( segid " " and resid 66 and name HA2 )) ( segid " " and resid 65 and name HB% ) 4.200 2.300 1.800 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.39313E-03 ppm1 4.007 ppm2 1.455 CV 1 ASSI { 1846} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 83 and name HB% ) 2.900 1.100 1.100 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.29214E-02 ppm1 4.041 ppm2 1.599 CV 1 OR { 1846} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 83 and name HB% ) ASSI { 1847} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB1 )) 4.600 2.600 1.400 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.36392E-03 ppm1 4.042 ppm2 3.106 CV 1 OR { 1847} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB1 )) ASSI { 1848} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HB2 )) 4.500 2.500 1.500 peak 1848 spectrum 1 weight 0.10000E+01 volume 0.39221E-03 ppm1 4.039 ppm2 2.800 CV 1 OR { 1848} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HB2 )) ASSI { 1849} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 79 and name HA )) 4.400 2.400 1.600 peak 1849 spectrum 1 weight 0.10000E+01 volume 0.52570E-03 ppm1 4.035 ppm2 4.888 CV 1 OR { 1849} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 79 and name HA )) ASSI { 1850} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.74550E-03 ppm1 4.042 ppm2 4.464 CV 1 OR { 1850} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HA )) ASSI { 1853} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 81 and name HN )) 2.800 1.000 1.000 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.38057E-02 ppm1 4.041 ppm2 7.682 CV 1 OR { 1853} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 81 and name HN )) ASSI { 1855} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 57 and name HN )) 2.200 0.600 0.600 peak 1855 spectrum 1 weight 0.10000E+01 volume 0.10845E-01 ppm1 4.099 ppm2 7.974 CV 1 OR { 1855} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 57 and name HN )) ASSI { 1859} (( segid " " and resid 57 and name HA2 )) (( segid " " and resid 58 and name HA )) 4.100 2.100 1.900 peak 1859 spectrum 1 weight 0.10000E+01 volume 0.48954E-03 ppm1 4.096 ppm2 4.538 CV 1 OR { 1859} (( segid " " and resid 57 and name HA1 )) (( segid " " and resid 58 and name HA )) ASSI { 1860} (( segid " " and resid 57 and name HA2 )) ( segid " " and resid 58 and name HG2%) 4.700 2.700 1.300 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.75347E-03 ppm1 4.102 ppm2 0.954 CV 1 OR { 1860} (( segid " " and resid 57 and name HA1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1864} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HD1 )) 1.600 0.300 0.600 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.19253E-01 ppm1 3.539 ppm2 4.032 CV 1 ASSI { 1867} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 60 and name HA )) 2.000 0.500 0.500 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.96288E-02 ppm1 4.032 ppm2 4.490 CV 1 ASSI { 1868} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HB1 )) 4.300 2.300 1.700 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.79277E-03 ppm1 3.540 ppm2 2.493 CV 1 ASSI { 1869} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 64 and name HB )) 3.200 1.300 1.300 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.11789E-02 ppm1 3.538 ppm2 2.278 CV 1 ASSI { 1870} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG2 )) 2.400 0.700 0.700 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.49838E-02 ppm1 3.536 ppm2 2.095 CV 1 OR { 1870} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HG1 )) OR { 1870} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 61 and name HB2 )) ASSI { 1872} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG1 )) 2.300 0.700 0.700 peak 1872 spectrum 1 weight 0.10000E+01 volume 0.76155E-02 ppm1 4.033 ppm2 2.097 CV 1 OR { 1872} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HG2 )) OR { 1872} (( segid " " and resid 61 and name HD1 )) (( segid " " and resid 61 and name HB2 )) ASSI { 1877} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HG11)) 5.100 3.300 0.900 peak 1877 spectrum 1 weight 0.10000E+01 volume 0.41448E-03 ppm1 3.542 ppm2 1.597 CV 1 ASSI { 1878} (( segid " " and resid 61 and name HD2 )) (( segid " " and resid 60 and name HG12)) 4.800 2.900 1.200 peak 1878 spectrum 1 weight 0.10000E+01 volume 0.28456E-03 ppm1 3.535 ppm2 1.173 CV 1 ASSI { 1880} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG2 )) 3.100 1.200 1.200 peak 1880 spectrum 1 weight 0.10000E+01 volume 0.15091E-02 ppm1 4.068 ppm2 1.462 CV 1 ASSI { 1881} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG2 )) 2.600 0.800 0.800 peak 1881 spectrum 1 weight 0.10000E+01 volume 0.17180E-02 ppm1 3.073 ppm2 1.463 CV 1 ASSI { 1882} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 70 and name HG2%) 4.100 2.100 1.900 peak 1882 spectrum 1 weight 0.10000E+01 volume 0.11750E-02 ppm1 4.067 ppm2 1.022 CV 1 ASSI { 1885} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HG1 )) 3.100 1.200 1.200 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.25507E-02 ppm1 3.073 ppm2 2.219 CV 1 ASSI { 1886} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 71 and name HB2 )) 3.200 1.300 1.300 peak 1886 spectrum 1 weight 0.10000E+01 volume 0.81366E-03 ppm1 3.077 ppm2 2.034 CV 1 ASSI { 1887} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 31 and name HA )) 4.500 2.600 1.500 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.68254E-03 ppm1 4.071 ppm2 3.375 CV 1 ASSI { 1888} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HD2 )) 1.800 0.400 0.400 peak 1888 spectrum 1 weight 0.10000E+01 volume 0.82610E-02 ppm1 4.066 ppm2 3.075 CV 1 ASSI { 1889} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HG1 )) 2.300 0.700 0.700 peak 1889 spectrum 1 weight 0.10000E+01 volume 0.31329E-02 ppm1 4.065 ppm2 2.221 CV 1 ASSI { 1890} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 4.200 2.200 1.800 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.68326E-03 ppm1 4.069 ppm2 2.031 CV 1 ASSI { 1893} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB2 )) 2.700 0.900 0.900 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.65816E-02 ppm1 4.757 ppm2 2.880 CV 1 ASSI { 1894} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HB1 )) 2.600 0.800 0.800 peak 1894 spectrum 1 weight 0.10000E+01 volume 0.42306E-02 ppm1 4.755 ppm2 3.266 CV 1 ASSI { 1895} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HA )) 2.300 0.600 0.600 peak 1895 spectrum 1 weight 0.10000E+01 volume 0.32635E-02 ppm1 4.064 ppm2 4.851 CV 1 ASSI { 1896} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 70 and name HB )) 3.300 1.400 1.400 peak 1896 spectrum 1 weight 0.10000E+01 volume 0.29473E-02 ppm1 4.066 ppm2 4.567 CV 1 ASSI { 1897} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 70 and name HA )) 2.600 0.800 0.800 peak 1897 spectrum 1 weight 0.10000E+01 volume 0.48513E-02 ppm1 3.075 ppm2 4.850 CV 1 ASSI { 1902} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 34 and name HA )) 4.200 2.200 1.800 peak 1902 spectrum 1 weight 0.10000E+01 volume 0.43554E-03 ppm1 3.074 ppm2 4.675 CV 1 ASSI { 1903} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 34 and name HA )) 3.700 1.700 1.700 peak 1903 spectrum 1 weight 0.10000E+01 volume 0.47693E-03 ppm1 4.064 ppm2 4.677 CV 1 ASSI { 1908} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HE% ) 4.800 2.800 1.200 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.39241E-03 ppm1 3.072 ppm2 7.017 CV 1 ASSI { 1909} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 72 and name HN )) 3.400 1.500 1.500 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.49780E-03 ppm1 3.070 ppm2 8.986 CV 1 ASSI { 1910} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HN )) 4.800 2.900 1.200 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.39985E-03 ppm1 3.074 ppm2 8.193 CV 1 ASSI { 1911} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 72 and name HN )) 4.000 2.000 2.000 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.84431E-03 ppm1 4.068 ppm2 8.985 CV 1 ASSI { 1912} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 35 and name HN )) 3.900 1.900 1.900 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.26240E-03 ppm1 4.065 ppm2 8.185 CV 1 ASSI { 1915} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HN )) 2.600 0.900 0.900 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.43912E-02 ppm1 4.754 ppm2 8.963 CV 1 ASSI { 1916} (( segid " " and resid 41 and name HA )) (( segid " " and resid 41 and name HN )) 3.100 1.200 1.200 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.15288E-02 ppm1 4.755 ppm2 8.250 CV 1 ASSI { 1917} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HA )) 3.800 1.800 1.800 peak 1917 spectrum 1 weight 0.10000E+01 volume 0.13565E-02 ppm1 4.758 ppm2 4.202 CV 1 OR { 1917} (( segid " " and resid 41 and name HA )) (( segid " " and resid 42 and name HB1 )) ASSI { 1918} (( segid " " and resid 83 and name HA )) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1918 spectrum 1 weight 0.10000E+01 volume 0.30675E-02 ppm1 4.301 ppm2 7.861 CV 1 ASSI { 1919} (( segid " " and resid 18 and name HA )) (( segid " " and resid 19 and name HN )) 2.800 0.900 0.900 peak 1919 spectrum 1 weight 0.10000E+01 volume 0.43251E-02 ppm1 4.372 ppm2 8.254 CV 1 ASSI { 1920} (( segid " " and resid 18 and name HA )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 1920 spectrum 1 weight 0.10000E+01 volume 0.29338E-02 ppm1 4.373 ppm2 7.910 CV 1 ASSI { 1922} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 3.000 1.100 1.100 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.23275E-02 ppm1 5.042 ppm2 8.020 CV 1 ASSI { 1923} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 3.500 1.500 1.500 peak 1923 spectrum 1 weight 0.10000E+01 volume 0.11259E-02 ppm1 5.054 ppm2 7.253 CV 1 ASSI { 1927} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HB2 )) 2.800 1.000 1.000 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.28459E-02 ppm1 5.048 ppm2 2.372 CV 1 ASSI { 1932} (( segid " " and resid 18 and name HA )) ( segid " " and resid 44 and name HB% ) 3.400 1.400 1.400 peak 1932 spectrum 1 weight 0.10000E+01 volume 0.10935E-02 ppm1 4.373 ppm2 1.611 CV 1 ASSI { 1933} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD2%) 4.800 2.900 1.200 peak 1933 spectrum 1 weight 0.10000E+01 volume 0.61546E-03 ppm1 4.374 ppm2 0.804 CV 1 ASSI { 1934} (( segid " " and resid 26 and name HA )) ( segid " " and resid 26 and name HD1%) 2.600 0.900 0.900 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.67637E-02 ppm1 4.387 ppm2 0.669 CV 1 ASSI { 1936} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD1%) 2.600 0.800 0.800 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.90455E-02 ppm1 4.357 ppm2 0.946 CV 1 ASSI { 1939} (( segid " " and resid 83 and name HA )) ( segid " " and resid 4 and name HD1%) 3.500 1.500 1.500 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.97625E-03 ppm1 4.296 ppm2 0.902 CV 1 ASSI { 1940} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HG )) 3.000 1.200 1.200 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.14224E-02 ppm1 4.386 ppm2 1.577 CV 1 ASSI { 1941} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB1 )) 2.700 0.900 0.900 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.22072E-02 ppm1 4.382 ppm2 1.473 CV 1 ASSI { 1942} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 4.354 ppm2 1.427 CV 1 ASSI { 1943} (( segid " " and resid 26 and name HA )) (( segid " " and resid 26 and name HB2 )) 2.800 1.000 1.000 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.44795E-02 ppm1 4.389 ppm2 1.337 CV 1 ASSI { 1945} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HB1 )) 2.600 0.800 0.800 peak 1945 spectrum 1 weight 0.10000E+01 volume 0.30559E-02 ppm1 4.359 ppm2 1.783 CV 1 OR { 1945} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HG )) ASSI { 1946} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HB2 )) 3.700 1.700 1.700 peak 1946 spectrum 1 weight 0.10000E+01 volume 0.57241E-03 ppm1 4.460 ppm2 2.119 CV 1 ASSI { 1947} (( segid " " and resid 33 and name HA )) (( segid " " and resid 34 and name HG1 )) 4.300 2.300 1.700 peak 1947 spectrum 1 weight 0.10000E+01 volume 0.64092E-03 ppm1 4.358 ppm2 1.901 CV 1 ASSI { 1948} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB2 )) 4.000 2.000 2.000 peak 1948 spectrum 1 weight 0.10000E+01 volume 0.11801E-02 ppm1 4.382 ppm2 3.062 CV 1 ASSI { 1950} (( segid " " and resid 26 and name HA )) (( segid " " and resid 30 and name HB1 )) 3.300 1.400 1.400 peak 1950 spectrum 1 weight 0.10000E+01 volume 0.63362E-03 ppm1 4.393 ppm2 3.347 CV 1 ASSI { 1952} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HB1 )) 2.500 0.800 0.800 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.75656E-02 ppm1 4.635 ppm2 2.872 CV 1 ASSI { 1954} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HB1 )) 2.900 1.000 1.000 peak 1954 spectrum 1 weight 0.10000E+01 volume 0.29795E-02 ppm1 4.717 ppm2 2.867 CV 1 ASSI { 1957} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 1957 spectrum 1 weight 0.10000E+01 volume 0.24693E-02 ppm1 4.358 ppm2 7.246 CV 1 ASSI { 1958} (( segid " " and resid 81 and name HA )) (( segid " " and resid 83 and name HN )) 4.300 2.300 1.700 peak 1958 spectrum 1 weight 0.10000E+01 volume 0.40339E-03 ppm1 4.460 ppm2 7.952 CV 1 ASSI { 1959} (( segid " " and resid 81 and name HA )) (( segid " " and resid 84 and name HN )) 3.600 1.600 1.600 peak 1959 spectrum 1 weight 0.10000E+01 volume 0.67374E-03 ppm1 4.454 ppm2 7.855 CV 1 ASSI { 1961} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.800 1.000 1.000 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.33861E-02 ppm1 4.298 ppm2 7.958 CV 1 ASSI { 1962} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.60384E-03 ppm1 4.189 ppm2 7.921 CV 1 ASSI { 1963} (( segid " " and resid 65 and name HA )) (( segid " " and resid 68 and name HN )) 4.300 2.300 1.700 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.40815E-03 ppm1 4.179 ppm2 7.751 CV 1 ASSI { 1964} (( segid " " and resid 81 and name HA )) (( segid " " and resid 82 and name HN )) 3.300 1.300 1.300 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.17851E-02 ppm1 4.456 ppm2 8.235 CV 1 ASSI { 1968} (( segid " " and resid 25 and name HA )) (( segid " " and resid 27 and name HN )) 3.600 1.600 1.600 peak 1968 spectrum 1 weight 0.10000E+01 volume 0.13196E-02 ppm1 4.717 ppm2 8.363 CV 1 ASSI { 1969} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 3.000 1.100 1.100 peak 1969 spectrum 1 weight 0.10000E+01 volume 0.20215E-02 ppm1 4.718 ppm2 8.590 CV 1 ASSI { 1970} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.200 0.600 0.600 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.81587E-02 ppm1 4.720 ppm2 8.484 CV 1 ASSI { 1975} (( segid " " and resid 63 and name HA )) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.20764E-02 ppm1 4.634 ppm2 8.292 CV 1 ASSI { 1977} (( segid " " and resid 4 and name HA )) (( segid " " and resid 5 and name HN )) 2.100 0.500 0.500 peak 1977 spectrum 1 weight 0.10000E+01 volume 0.10233E-01 ppm1 4.351 ppm2 9.393 CV 1 ASSI { 1978} (( segid " " and resid 5 and name HA )) (( segid " " and resid 6 and name HN )) 2.000 0.500 0.500 peak 1978 spectrum 1 weight 0.10000E+01 volume 0.95676E-02 ppm1 4.590 ppm2 9.179 CV 1 ASSI { 1981} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.800 0.900 0.900 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.31365E-02 ppm1 5.218 ppm2 9.174 CV 1 ASSI { 1984} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HN )) 3.400 1.400 1.400 peak 1984 spectrum 1 weight 0.10000E+01 volume 0.13498E-02 ppm1 4.340 ppm2 8.595 CV 1 ASSI { 1987} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 2.200 0.600 0.600 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.61212E-02 ppm1 4.675 ppm2 8.185 CV 1 ASSI { 1989} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HD% ) 3.000 1.100 1.100 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.16035E-02 ppm1 5.215 ppm2 7.248 CV 1 ASSI { 1990} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.800 1.800 1.800 peak 1990 spectrum 1 weight 0.10000E+01 volume 0.82688E-03 ppm1 5.218 ppm2 7.397 CV 1 ASSI { 1991} (( segid " " and resid 69 and name HA )) ( segid " " and resid 35 and name HE% ) 3.200 1.300 1.300 peak 1991 spectrum 1 weight 0.10000E+01 volume 0.11513E-02 ppm1 5.215 ppm2 7.016 CV 1 ASSI { 1995} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.700 0.900 0.900 peak 1995 spectrum 1 weight 0.10000E+01 volume 0.29107E-02 ppm1 5.216 ppm2 2.929 CV 1 ASSI { 1996} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 3.000 1.100 1.100 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.38284E-02 ppm1 5.218 ppm2 2.800 CV 1 ASSI { 1997} (( segid " " and resid 69 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.900 2.900 3.100 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.80887E-03 ppm1 5.215 ppm2 3.111 CV 1 ASSI { 2000} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HG1 )) 3.300 1.400 1.400 peak 2000 spectrum 1 weight 0.10000E+01 volume 0.91283E-03 ppm1 4.347 ppm2 2.577 CV 1 ASSI { 2001} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB1 )) 2.600 0.800 0.800 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.24032E-02 ppm1 4.678 ppm2 2.207 CV 1 ASSI { 2002} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.400 0.700 0.700 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.10014E-01 ppm1 4.712 ppm2 2.806 CV 1 OR { 2002} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 2003} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB2 )) 3.000 1.100 1.100 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.12233E-02 ppm1 4.339 ppm2 2.093 CV 1 ASSI { 2004} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG1 )) 3.400 1.400 1.400 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.12164E-02 ppm1 4.678 ppm2 1.912 CV 1 ASSI { 2006} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG2 )) 2.600 0.800 0.800 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.21915E-02 ppm1 4.672 ppm2 1.635 CV 1 ASSI { 2007} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HG )) 2.500 0.800 0.800 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.45029E-02 ppm1 4.591 ppm2 1.545 CV 1 OR { 2007} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HB1 )) ASSI { 2009} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 2.700 0.900 0.900 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.57832E-02 ppm1 4.350 ppm2 1.492 CV 1 ASSI { 2012} (( segid " " and resid 5 and name HA )) ( segid " " and resid 5 and name HD2%) 2.900 1.100 1.100 peak 2012 spectrum 1 weight 0.10000E+01 volume 0.26017E-02 ppm1 4.589 ppm2 0.583 CV 1 ASSI { 2015} (( segid " " and resid 69 and name HA )) ( segid " " and resid 74 and name HD2%) 4.000 2.000 2.000 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.92569E-03 ppm1 5.227 ppm2 1.047 CV 1 OR { 2015} (( segid " " and resid 69 and name HA )) (( segid " " and resid 74 and name HG )) OR { 2015} (( segid " " and resid 69 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2016} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) 2.400 0.700 0.700 peak 2016 spectrum 1 weight 0.10000E+01 volume 0.49157E-02 ppm1 4.610 ppm2 2.026 CV 1 ASSI { 2017} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.900 1.100 1.100 peak 2017 spectrum 1 weight 0.10000E+01 volume 0.42678E-02 ppm1 4.612 ppm2 1.881 CV 1 ASSI { 2018} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG1 )) 2.500 0.800 0.800 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.58846E-02 ppm1 4.610 ppm2 1.723 CV 1 OR { 2018} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HG2 )) ASSI { 2022} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.000 3.000 3.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.12436E-02 ppm1 3.925 ppm2 1.403 CV 1 ASSI { 2023} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.600 1.600 1.600 peak 2023 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 3.926 ppm2 2.243 CV 1 ASSI { 2024} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HG )) 3.400 1.400 1.400 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.87399E-03 ppm1 3.926 ppm2 2.050 CV 1 ASSI { 2025} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB1 )) 2.300 0.600 0.600 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.12394E-01 ppm1 4.475 ppm2 2.762 CV 1 OR { 2025} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) ASSI { 2026} (( segid " " and resid 62 and name HA )) ( segid " " and resid 65 and name HB% ) 3.000 1.100 1.100 peak 2026 spectrum 1 weight 0.10000E+01 volume 0.17606E-02 ppm1 4.474 ppm2 1.464 CV 1 ASSI { 2030} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HN )) 2.700 0.900 0.900 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.32532E-02 ppm1 4.612 ppm2 7.751 CV 1 ASSI { 2032} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HN )) 5.300 3.500 0.700 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.20549E-03 ppm1 3.928 ppm2 8.284 CV 1 ASSI { 2033} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HN )) 4.300 2.300 1.700 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.21751E-03 ppm1 3.925 ppm2 8.171 CV 1 ASSI { 2034} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.600 1.600 1.600 peak 2034 spectrum 1 weight 0.10000E+01 volume 0.97162E-03 ppm1 3.926 ppm2 8.004 CV 1 ASSI { 2037} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.700 0.900 0.900 peak 2037 spectrum 1 weight 0.10000E+01 volume 0.35569E-02 ppm1 4.474 ppm2 8.630 CV 1 ASSI { 2038} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 2.900 1.000 1.000 peak 2038 spectrum 1 weight 0.10000E+01 volume 0.30663E-02 ppm1 4.474 ppm2 8.411 CV 1 ASSI { 2039} (( segid " " and resid 62 and name HA )) (( segid " " and resid 64 and name HN )) 4.100 2.100 1.900 peak 2039 spectrum 1 weight 0.10000E+01 volume 0.62961E-03 ppm1 4.474 ppm2 7.551 CV 1 ASSI { 2042} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB1 )) 2.800 1.000 1.000 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.25014E-02 ppm1 4.273 ppm2 1.962 CV 1 ASSI { 2043} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HG )) 3.000 1.100 1.100 peak 2043 spectrum 1 weight 0.10000E+01 volume 0.22547E-02 ppm1 4.272 ppm2 1.869 CV 1 ASSI { 2045} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HG1 )) 4.000 2.000 2.000 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.24047E-03 ppm1 3.928 ppm2 2.689 CV 1 ASSI { 2047} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 2.800 1.000 1.000 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.28014E-02 ppm1 4.456 ppm2 8.532 CV 1 ASSI { 2048} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.700 0.900 0.900 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.34655E-02 ppm1 4.273 ppm2 8.230 CV 1 ASSI { 2054} (( segid " " and resid 82 and name HA )) (( segid " " and resid 83 and name HN )) 3.200 1.300 1.300 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.17564E-02 ppm1 4.273 ppm2 7.952 CV 1 ASSI { 2055} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 2.800 1.000 1.000 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.32916E-02 ppm1 4.378 ppm2 7.871 CV 1 ASSI { 2057} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB2 )) 2.900 1.100 1.100 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.28439E-02 ppm1 4.453 ppm2 2.057 CV 1 ASSI { 2059} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HB1 )) 2.900 1.100 1.100 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.27901E-02 ppm1 4.377 ppm2 2.246 CV 1 ASSI { 2060} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HG2 )) 3.300 1.300 1.300 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.19209E-02 ppm1 4.380 ppm2 2.412 CV 1 ASSI { 2061} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HB1 )) 2.600 0.800 0.800 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.41420E-02 ppm1 4.455 ppm2 2.212 CV 1 ASSI { 2063} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 3.100 1.200 1.200 peak 2063 spectrum 1 weight 0.10000E+01 volume 0.23292E-02 ppm1 4.456 ppm2 2.375 CV 1 OR { 2063} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) ASSI { 2065} (( segid " " and resid 84 and name HA )) ( segid " " and resid 83 and name HB% ) 4.100 2.100 1.900 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.46512E-03 ppm1 4.376 ppm2 1.589 CV 1 ASSI { 2067} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HG )) 2.900 1.100 1.100 peak 2067 spectrum 1 weight 0.10000E+01 volume 0.44238E-02 ppm1 4.692 ppm2 1.771 CV 1 OR { 2067} (( segid " " and resid 30 and name HA )) (( segid " " and resid 33 and name HB1 )) ASSI { 2069} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG12)) 2.600 0.900 0.900 peak 2069 spectrum 1 weight 0.10000E+01 volume 0.18326E-02 ppm1 4.488 ppm2 1.172 CV 1 ASSI { 2074} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD1%) 4.100 2.100 1.900 peak 2074 spectrum 1 weight 0.10000E+01 volume 0.13587E-02 ppm1 4.298 ppm2 0.842 CV 1 ASSI { 2075} (( segid " " and resid 14 and name HA )) ( segid " " and resid 48 and name HG2%) 2.700 0.900 0.900 peak 2075 spectrum 1 weight 0.10000E+01 volume 0.30259E-02 ppm1 4.336 ppm2 1.091 CV 1 ASSI { 2076} (( segid " " and resid 14 and name HA )) ( segid " " and resid 14 and name HD2%) 3.000 1.100 1.100 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.17672E-02 ppm1 4.334 ppm2 0.847 CV 1 ASSI { 2080} (( segid " " and resid 10 and name HA )) ( segid " " and resid 5 and name HD1%) 3.500 1.500 1.500 peak 2080 spectrum 1 weight 0.10000E+01 volume 0.88279E-03 ppm1 4.190 ppm2 0.564 CV 1 ASSI { 2081} (( segid " " and resid 45 and name HA )) ( segid " " and resid 45 and name HD2%) 3.600 1.600 1.600 peak 2081 spectrum 1 weight 0.10000E+01 volume 0.22978E-02 ppm1 3.975 ppm2 0.580 CV 1 ASSI { 2084} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB1 )) 2.900 1.000 1.000 peak 2084 spectrum 1 weight 0.10000E+01 volume 0.30720E-02 ppm1 3.974 ppm2 1.808 CV 1 ASSI { 2086} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.500 0.800 0.800 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.34061E-02 ppm1 3.974 ppm2 1.408 CV 1 ASSI { 2088} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HG )) 3.100 1.200 1.200 peak 2088 spectrum 1 weight 0.10000E+01 volume 0.19431E-02 ppm1 4.189 ppm2 1.903 CV 1 ASSI { 2090} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.47454E-02 ppm1 4.300 ppm2 1.417 CV 1 ASSI { 2091} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.32144E-02 ppm1 4.335 ppm2 1.462 CV 1 ASSI { 2092} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.400 0.700 0.700 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.37456E-02 ppm1 4.253 ppm2 1.693 CV 1 ASSI { 2093} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HB1 )) 2.700 0.900 0.900 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.20535E-02 ppm1 4.336 ppm2 1.934 CV 1 ASSI { 2094} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HG )) 3.600 1.700 1.700 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.18488E-02 ppm1 4.335 ppm2 1.747 CV 1 ASSI { 2095} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG11)) 3.000 1.100 1.100 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.18840E-02 ppm1 4.488 ppm2 1.592 CV 1 ASSI { 2097} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HG1 )) 4.500 2.500 1.500 peak 2097 spectrum 1 weight 0.10000E+01 volume 0.11400E-02 ppm1 4.494 ppm2 2.089 CV 1 OR { 2097} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HG2 )) OR { 2097} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HB2 )) ASSI { 2098} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.700 0.900 0.900 peak 2098 spectrum 1 weight 0.10000E+01 volume 0.36644E-02 ppm1 4.598 ppm2 2.045 CV 1 OR { 2098} (( segid " " and resid 8 and name HA )) (( segid " " and resid 11 and name HB2 )) ASSI { 2100} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.900 1.000 1.000 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 4.250 ppm2 2.445 CV 1 ASSI { 2101} (( segid " " and resid 52 and name HA )) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.27123E-02 ppm1 4.300 ppm2 2.248 CV 1 ASSI { 2103} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.62313E-02 ppm1 4.519 ppm2 2.627 CV 1 ASSI { 2106} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.500 0.800 0.800 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.39625E-02 ppm1 4.519 ppm2 2.998 CV 1 ASSI { 2107} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HD2 )) 2.300 0.600 0.600 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.64869E-02 ppm1 4.491 ppm2 3.538 CV 1 ASSI { 2109} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.400 0.700 0.700 peak 2109 spectrum 1 weight 0.10000E+01 volume 0.56500E-02 ppm1 4.693 ppm2 3.352 CV 1 ASSI { 2113} (( segid " " and resid 45 and name HA )) ( segid " " and resid 14 and name HD1%) 3.900 1.900 1.900 peak 2113 spectrum 1 weight 0.10000E+01 volume 0.44945E-03 ppm1 3.975 ppm2 0.724 CV 1 ASSI { 2115} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HD% ) 2.500 0.800 0.800 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.35682E-02 ppm1 4.301 ppm2 7.376 CV 1 ASSI { 2116} (( segid " " and resid 52 and name HA )) ( segid " " and resid 56 and name HE% ) 3.500 1.600 1.600 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.70641E-03 ppm1 4.301 ppm2 6.816 CV 1 ASSI { 2118} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HE% ) 3.900 1.900 1.900 peak 2118 spectrum 1 weight 0.10000E+01 volume 0.57349E-03 ppm1 3.975 ppm2 6.754 CV 1 ASSI { 2120} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 2.700 0.900 0.900 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.31887E-02 ppm1 3.975 ppm2 8.414 CV 1 ASSI { 2123} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.28105E-02 ppm1 4.187 ppm2 7.939 CV 1 ASSI { 2126} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.200 1.300 1.300 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.10168E-02 ppm1 4.337 ppm2 8.429 CV 1 ASSI { 2127} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.600 0.800 0.800 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.30953E-02 ppm1 4.335 ppm2 8.291 CV 1 ASSI { 2128} (( segid " " and resid 40 and name HA )) ( segid " " and resid 40 and name HD% ) 2.900 1.100 1.100 peak 2128 spectrum 1 weight 0.10000E+01 volume 0.22297E-02 ppm1 4.650 ppm2 7.005 CV 1 ASSI { 2129} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HN )) 2.100 0.600 0.600 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.10988E-01 ppm1 4.659 ppm2 8.253 CV 1 ASSI { 2130} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HN )) 3.300 1.400 1.400 peak 2130 spectrum 1 weight 0.10000E+01 volume 0.11076E-02 ppm1 4.518 ppm2 8.083 CV 1 ASSI { 2132} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.900 1.100 1.100 peak 2132 spectrum 1 weight 0.10000E+01 volume 0.23394E-02 ppm1 4.520 ppm2 7.865 CV 1 ASSI { 2133} (( segid " " and resid 45 and name HA )) (( segid " " and resid 49 and name HN )) 3.800 1.800 1.800 peak 2133 spectrum 1 weight 0.10000E+01 volume 0.79915E-03 ppm1 3.973 ppm2 8.538 CV 1 ASSI { 2134} (( segid " " and resid 74 and name HA )) (( segid " " and resid 75 and name HN )) 3.600 1.600 1.600 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.74802E-03 ppm1 4.259 ppm2 8.778 CV 1 ASSI { 2137} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.900 1.000 1.000 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.16692E-02 ppm1 4.492 ppm2 8.903 CV 1 ASSI { 2139} (( segid " " and resid 30 and name HA )) ( segid " " and resid 30 and name HD% ) 3.800 1.800 1.800 peak 2139 spectrum 1 weight 0.10000E+01 volume 0.13460E-02 ppm1 4.694 ppm2 7.332 CV 1 ASSI { 2140} (( segid " " and resid 40 and name HA )) ( segid " " and resid 44 and name HB% ) 3.200 1.300 1.300 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.24795E-02 ppm1 4.657 ppm2 1.610 CV 1 ASSI { 2144} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HG12)) 4.500 2.500 1.500 peak 2144 spectrum 1 weight 0.10000E+01 volume 0.65805E-03 ppm1 3.906 ppm2 1.210 CV 1 ASSI { 2147} (( segid " " and resid 75 and name HA )) ( segid " " and resid 5 and name HD1%) 3.000 1.100 1.100 peak 2147 spectrum 1 weight 0.10000E+01 volume 0.14172E-02 ppm1 3.906 ppm2 0.552 CV 1 ASSI { 2148} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HG2 )) 2.900 1.100 1.100 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.23649E-02 ppm1 4.104 ppm2 0.908 CV 1 ASSI { 2149} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB2 )) 2.700 0.900 0.900 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.29597E-02 ppm1 4.104 ppm2 1.444 CV 1 ASSI { 2151} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB1 )) 3.100 1.200 1.200 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.21497E-02 ppm1 3.906 ppm2 2.041 CV 1 ASSI { 2153} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HB2 )) 2.300 0.600 0.600 peak 2153 spectrum 1 weight 0.10000E+01 volume 0.53450E-02 ppm1 3.905 ppm2 1.656 CV 1 ASSI { 2154} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB1 )) 2.700 0.900 0.900 peak 2154 spectrum 1 weight 0.10000E+01 volume 0.48258E-02 ppm1 4.103 ppm2 1.794 CV 1 ASSI { 2155} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.700 0.900 0.900 peak 2155 spectrum 1 weight 0.10000E+01 volume 0.64118E-02 ppm1 4.241 ppm2 1.994 CV 1 OR { 2155} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG1 )) ASSI { 2159} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG1 )) 3.100 1.200 1.200 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.28307E-02 ppm1 4.189 ppm2 2.623 CV 1 ASSI { 2160} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG2 )) 2.500 0.800 0.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.50794E-02 ppm1 4.190 ppm2 2.372 CV 1 ASSI { 2162} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB2 )) 2.800 1.000 1.000 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.54057E-02 ppm1 4.190 ppm2 2.110 CV 1 ASSI { 2164} (( segid " " and resid 73 and name HA )) (( segid " " and resid 76 and name HB1 )) 2.600 0.900 0.900 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.32795E-02 ppm1 4.234 ppm2 2.769 CV 1 ASSI { 2166} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG2 )) 2.800 1.000 1.000 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.48930E-02 ppm1 4.347 ppm2 2.450 CV 1 OR { 2166} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HG1 )) ASSI { 2167} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 2.400 0.700 0.700 peak 2167 spectrum 1 weight 0.10000E+01 volume 0.58192E-02 ppm1 4.347 ppm2 2.214 CV 1 ASSI { 2168} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.57164E-02 ppm1 4.347 ppm2 2.141 CV 1 ASSI { 2169} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.83495E-02 ppm1 4.291 ppm2 2.334 CV 1 OR { 2169} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 2171} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HB2 )) 3.900 1.900 1.900 peak 2171 spectrum 1 weight 0.10000E+01 volume 0.99528E-03 ppm1 4.281 ppm2 2.200 CV 1 ASSI { 2172} (( segid " " and resid 46 and name HA )) ( segid " " and resid 49 and name HB% ) 2.200 0.600 0.600 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.10282E-01 ppm1 4.295 ppm2 1.585 CV 1 ASSI { 2176} (( segid " " and resid 16 and name HA )) ( segid " " and resid 15 and name HG1%) 3.400 1.400 1.400 peak 2176 spectrum 1 weight 0.10000E+01 volume 0.11108E-02 ppm1 4.187 ppm2 1.036 CV 1 ASSI { 2178} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HD1 )) 4.600 2.600 1.400 peak 2178 spectrum 1 weight 0.10000E+01 volume 0.59633E-03 ppm1 4.099 ppm2 3.059 CV 1 ASSI { 2180} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HD1 )) 3.300 1.400 1.400 peak 2180 spectrum 1 weight 0.10000E+01 volume 0.10296E-02 ppm1 4.244 ppm2 3.441 CV 1 ASSI { 2185} (( segid " " and resid 75 and name HA )) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.83109E-03 ppm1 3.906 ppm2 8.895 CV 1 ASSI { 2186} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 2.600 0.900 0.900 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.32567E-02 ppm1 3.906 ppm2 8.777 CV 1 ASSI { 2188} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.700 0.900 0.900 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.34568E-02 ppm1 4.103 ppm2 8.301 CV 1 ASSI { 2189} (( segid " " and resid 55 and name HA )) (( segid " " and resid 54 and name HN )) 5.100 3.300 0.900 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.29602E-03 ppm1 4.100 ppm2 8.110 CV 1 ASSI { 2190} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 3.500 1.500 1.500 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.11636E-02 ppm1 4.103 ppm2 8.014 CV 1 ASSI { 2191} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.600 0.800 0.800 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.45220E-02 ppm1 4.189 ppm2 8.260 CV 1 ASSI { 2197} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.600 0.800 0.800 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.45361E-02 ppm1 4.347 ppm2 9.626 CV 1 ASSI { 2207} (( segid " " and resid 12 and name HA )) ( segid " " and resid 15 and name HG1%) 4.300 2.300 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.85789E-03 ppm1 4.038 ppm2 1.032 CV 1 ASSI { 2208} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HB )) 2.600 0.800 0.800 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.29200E-02 ppm1 4.037 ppm2 2.264 CV 1 ASSI { 2209} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB1 )) 2.300 0.600 0.600 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.80789E-02 ppm1 4.036 ppm2 2.025 CV 1 OR { 2209} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HB2 )) ASSI { 2210} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG1 )) 3.300 1.400 1.400 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.18681E-02 ppm1 4.035 ppm2 1.916 CV 1 ASSI { 2211} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HG2 )) 2.700 0.900 0.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.27798E-02 ppm1 4.036 ppm2 1.675 CV 1 ASSI { 2216} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.100 0.600 0.600 peak 2216 spectrum 1 weight 0.10000E+01 volume 0.87415E-02 ppm1 4.203 ppm2 2.340 CV 1 OR { 2216} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG2 )) OR { 2216} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 2217} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HB )) 4.900 3.000 1.100 peak 2217 spectrum 1 weight 0.10000E+01 volume 0.57601E-03 ppm1 4.201 ppm2 2.101 CV 1 ASSI { 2218} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HG1 )) 2.800 1.000 1.000 peak 2218 spectrum 1 weight 0.10000E+01 volume 0.30163E-02 ppm1 4.204 ppm2 2.685 CV 1 ASSI { 2219} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB1 )) 2.500 0.800 0.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.64777E-02 ppm1 4.342 ppm2 4.062 CV 1 ASSI { 2220} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 2.400 0.700 0.700 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.61289E-02 ppm1 4.342 ppm2 3.971 CV 1 ASSI { 2222} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.500 0.800 0.800 peak 2222 spectrum 1 weight 0.10000E+01 volume 0.52298E-02 ppm1 4.555 ppm2 4.022 CV 1 ASSI { 2225} (( segid " " and resid 53 and name HA )) (( segid " " and resid 58 and name HN )) 2.400 0.700 0.700 peak 2225 spectrum 1 weight 0.10000E+01 volume 0.35555E-02 ppm1 4.204 ppm2 7.249 CV 1 ASSI { 2226} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.300 1.400 1.400 peak 2226 spectrum 1 weight 0.10000E+01 volume 0.12547E-02 ppm1 4.039 ppm2 8.435 CV 1 ASSI { 2231} (( segid " " and resid 53 and name HA )) (( segid " " and resid 54 and name HN )) 3.300 1.400 1.400 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.10944E-02 ppm1 4.202 ppm2 8.103 CV 1 ASSI { 2233} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.500 0.800 0.800 peak 2233 spectrum 1 weight 0.10000E+01 volume 0.37449E-02 ppm1 4.204 ppm2 8.605 CV 1 ASSI { 2234} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.20545E-02 ppm1 4.341 ppm2 8.364 CV 1 ASSI { 2236} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 4.556 ppm2 7.911 CV 1 ASSI { 2238} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 2.300 0.600 0.600 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.11652E-01 ppm1 4.547 ppm2 8.424 CV 1 ASSI { 2239} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.600 0.900 0.900 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.34878E-02 ppm1 3.603 ppm2 8.757 CV 1 ASSI { 2240} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.25341E-02 ppm1 3.637 ppm2 8.981 CV 1 ASSI { 2241} (( segid " " and resid 72 and name HA )) (( segid " " and resid 76 and name HN )) 3.600 1.700 1.700 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.68326E-03 ppm1 3.637 ppm2 8.425 CV 1 ASSI { 2242} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HN )) 3.200 1.200 1.200 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.11733E-02 ppm1 3.599 ppm2 8.291 CV 1 ASSI { 2246} (( segid " " and resid 11 and name HA )) (( segid " " and resid 30 and name HZ )) 3.300 1.400 1.400 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.16119E-02 ppm1 3.600 ppm2 7.277 CV 1 ASSI { 2247} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HD2 )) 4.200 2.200 1.800 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.43700E-03 ppm1 3.642 ppm2 3.039 CV 1 ASSI { 2249} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD1 )) 4.600 2.600 1.400 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.83346E-03 ppm1 3.601 ppm2 3.227 CV 1 OR { 2249} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HD2 )) ASSI { 2250} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HD2 )) 4.000 2.000 2.000 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.66742E-03 ppm1 4.033 ppm2 3.329 CV 1 ASSI { 2251} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HB1 )) 2.700 0.900 0.900 peak 2251 spectrum 1 weight 0.10000E+01 volume 0.56444E-02 ppm1 3.604 ppm2 2.036 CV 1 ASSI { 2253} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 3.000 1.100 1.100 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.27656E-02 ppm1 3.636 ppm2 1.873 CV 1 ASSI { 2254} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HG )) 3.800 1.800 1.800 peak 2254 spectrum 1 weight 0.10000E+01 volume 0.77189E-03 ppm1 3.614 ppm2 1.741 CV 1 ASSI { 2256} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 2.700 0.900 0.900 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.32404E-02 ppm1 3.637 ppm2 1.554 CV 1 ASSI { 2258} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG2 )) 3.000 1.100 1.100 peak 2258 spectrum 1 weight 0.10000E+01 volume 0.29874E-02 ppm1 3.600 ppm2 1.287 CV 1 ASSI { 2262} (( segid " " and resid 72 and name HA )) ( segid " " and resid 31 and name HD1%) 2.900 1.000 1.000 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.35594E-02 ppm1 3.638 ppm2 0.521 CV 1 ASSI { 2268} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) 4.500 2.500 1.500 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.78680E-03 ppm1 4.208 ppm2 1.032 CV 1 OR { 2268} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H30%) ASSI { 2270} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG1%) 2.300 0.700 0.700 peak 2270 spectrum 1 weight 0.10000E+01 volume 0.10744E-01 ppm1 4.528 ppm2 1.084 CV 1 OR { 2270} (( segid " " and resid 68 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2271} (( segid " " and resid 42 and name HA )) ( segid " " and resid 45 and name HD1%) 4.400 2.500 1.600 peak 2271 spectrum 1 weight 0.10000E+01 volume 0.64236E-03 ppm1 4.212 ppm2 0.396 CV 1 ASSI { 2274} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB2 )) 2.300 0.600 0.600 peak 2274 spectrum 1 weight 0.10000E+01 volume 0.96751E-02 ppm1 4.209 ppm2 4.330 CV 1 ASSI { 2276} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HN )) 3.500 1.600 1.600 peak 2276 spectrum 1 weight 0.10000E+01 volume 0.82471E-03 ppm1 4.210 ppm2 7.909 CV 1 ASSI { 2279} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 3.500 1.500 1.500 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.10287E-02 ppm1 4.339 ppm2 8.298 CV 1 ASSI { 2280} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HN )) 2.600 0.900 0.900 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.44609E-02 ppm1 4.336 ppm2 8.101 CV 1 ASSI { 2285} (( segid " " and resid 68 and name HA )) (( segid " " and resid 69 and name HN )) 2.100 0.600 0.600 peak 2285 spectrum 1 weight 0.10000E+01 volume 0.11162E-01 ppm1 4.527 ppm2 9.176 CV 1 ASSI { 2289} (( segid " " and resid 21 and name HA )) (( segid " " and resid 21 and name HN )) 3.000 1.200 1.200 peak 2289 spectrum 1 weight 0.10000E+01 volume 0.19412E-02 ppm1 4.514 ppm2 8.255 CV 1 ASSI { 2298} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 2.100 0.500 0.500 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.11878E-01 ppm1 4.533 ppm2 8.626 CV 1 ASSI { 2299} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HN )) 4.000 2.000 2.000 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.76824E-03 ppm1 4.532 ppm2 8.412 CV 1 ASSI { 2300} (( segid " " and resid 24 and name HA )) (( segid " " and resid 25 and name HN )) 2.300 0.700 0.700 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.92816E-02 ppm1 4.331 ppm2 8.582 CV 1 ASSI { 2302} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) 3.400 1.400 1.400 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 4.082 ppm2 8.306 CV 1 OR { 2302} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 2311} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HD% ) 2.400 0.700 0.700 peak 2311 spectrum 1 weight 0.10000E+01 volume 0.53105E-02 ppm1 4.371 ppm2 7.244 CV 1 ASSI { 2312} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 2.200 0.600 0.600 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.15627E-01 ppm1 4.081 ppm2 4.334 CV 1 OR { 2312} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) ASSI { 2313} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HA )) 3.300 3.300 2.700 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.30709E-02 ppm1 4.080 ppm2 4.213 CV 1 OR { 2313} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HA )) ASSI { 2314} (( segid " " and resid 24 and name HA )) (( segid " " and resid 24 and name HB )) 2.600 0.800 0.800 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.44840E-02 ppm1 4.330 ppm2 4.201 CV 1 ASSI { 2315} (( segid " " and resid 3 and name HA )) (( segid " " and resid 3 and name HB )) 2.200 0.600 0.600 peak 2315 spectrum 1 weight 0.10000E+01 volume 0.93706E-02 ppm1 4.381 ppm2 4.175 CV 1 ASSI { 2316} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB1 )) 2.200 0.600 0.600 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.36515E-02 ppm1 4.369 ppm2 3.447 CV 1 ASSI { 2317} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HB2 )) 4.600 2.700 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.45765E-03 ppm1 4.080 ppm2 2.346 CV 1 OR { 2317} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 53 and name HB2 )) OR { 2317} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 53 and name HG2 )) ASSI { 2318} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HB )) 2.400 0.700 0.700 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.60533E-02 ppm1 4.396 ppm2 2.334 CV 1 ASSI { 2319} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB2 )) 3.300 1.300 1.300 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.97980E-03 ppm1 4.369 ppm2 2.898 CV 1 OR { 2319} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HB1 )) ASSI { 2320} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HB2 )) 2.900 1.100 1.100 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.21782E-02 ppm1 4.370 ppm2 3.125 CV 1 ASSI { 2321} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HB1 )) 4.700 2.700 1.300 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.11044E-02 ppm1 4.533 ppm2 2.759 CV 1 OR { 2321} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HB2 )) ASSI { 2322} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB1 )) 2.100 0.500 0.500 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.83541E-02 ppm1 4.532 ppm2 2.496 CV 1 ASSI { 2323} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB2 )) 2.700 0.900 0.900 peak 2323 spectrum 1 weight 0.10000E+01 volume 0.56130E-02 ppm1 4.533 ppm2 2.090 CV 1 OR { 2323} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG1 )) OR { 2323} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HG2 )) ASSI { 2326} (( segid " " and resid 3 and name HA )) ( segid " " and resid 3 and name HG2%) 2.700 0.900 0.900 peak 2326 spectrum 1 weight 0.10000E+01 volume 0.53584E-02 ppm1 4.382 ppm2 1.366 CV 1 ASSI { 2327} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG11)) 3.200 1.200 1.200 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.23592E-02 ppm1 4.396 ppm2 1.867 CV 1 ASSI { 2328} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG11)) 2.700 0.900 0.900 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.24879E-02 ppm1 4.374 ppm2 1.873 CV 1 ASSI { 2329} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HG2%) 2.300 0.700 0.700 peak 2329 spectrum 1 weight 0.10000E+01 volume 0.76818E-02 ppm1 4.396 ppm2 1.057 CV 1 ASSI { 2331} (( segid " " and resid 35 and name HA )) ( segid " " and resid 38 and name HD1%) 2.400 0.700 0.700 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.39685E-02 ppm1 4.375 ppm2 0.941 CV 1 ASSI { 2334} (( segid " " and resid 24 and name HA )) ( segid " " and resid 24 and name HG2%) 2.600 0.800 0.800 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.56541E-02 ppm1 4.330 ppm2 1.214 CV 1 ASSI { 2335} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB )) 2.400 0.700 0.700 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.61937E-02 ppm1 3.931 ppm2 2.274 CV 1 ASSI { 2336} (( segid " " and resid 64 and name HA )) (( segid " " and resid 61 and name HB2 )) 4.000 2.000 2.000 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.12463E-02 ppm1 3.932 ppm2 2.074 CV 1 ASSI { 2337} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HB2 )) 3.100 1.200 1.200 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.14531E-02 ppm1 3.930 ppm2 1.875 CV 1 ASSI { 2338} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG2 )) 3.000 1.100 1.100 peak 2338 spectrum 1 weight 0.10000E+01 volume 0.17783E-02 ppm1 3.931 ppm2 1.726 CV 1 OR { 2338} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HG1 )) ASSI { 2340} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG2%) 2.300 0.600 0.600 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.10654E-01 ppm1 3.931 ppm2 0.997 CV 1 OR { 2340} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HG1%) ASSI { 2342} (( segid " " and resid 64 and name HA )) ( segid " " and resid 65 and name HB% ) 4.700 2.800 1.300 peak 2342 spectrum 1 weight 0.10000E+01 volume 0.45837E-03 ppm1 3.929 ppm2 1.457 CV 1 ASSI { 2345} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 18 and name HB% ) 4.100 2.100 1.900 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.49792E-03 ppm1 4.108 ppm2 1.506 CV 1 ASSI { 2347} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 18 and name HB% ) 4.900 3.000 1.100 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.34854E-03 ppm1 4.018 ppm2 1.497 CV 1 ASSI { 2350} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 2350 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 4.109 ppm2 4.552 CV 1 ASSI { 2353} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HA )) 3.100 1.200 1.200 peak 2353 spectrum 1 weight 0.10000E+01 volume 0.21723E-02 ppm1 3.805 ppm2 4.771 CV 1 ASSI { 2359} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 18 and name HN )) 3.300 1.400 1.400 peak 2359 spectrum 1 weight 0.10000E+01 volume 0.95239E-03 ppm1 4.110 ppm2 7.915 CV 1 ASSI { 2360} (( segid " " and resid 64 and name HA )) (( segid " " and resid 67 and name HN )) 3.600 1.600 1.600 peak 2360 spectrum 1 weight 0.10000E+01 volume 0.81119E-03 ppm1 3.930 ppm2 7.921 CV 1 ASSI { 2361} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 18 and name HN )) 3.900 1.900 1.900 peak 2361 spectrum 1 weight 0.10000E+01 volume 0.10661E-02 ppm1 4.020 ppm2 7.905 CV 1 ASSI { 2363} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 2363 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 4.018 ppm2 7.796 CV 1 ASSI { 2365} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 2365 spectrum 1 weight 0.10000E+01 volume 0.44372E-02 ppm1 3.931 ppm2 7.548 CV 1 ASSI { 2367} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 2.900 1.000 1.000 peak 2367 spectrum 1 weight 0.10000E+01 volume 0.27345E-02 ppm1 3.930 ppm2 8.293 CV 1 ASSI { 2368} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 2.600 0.900 0.900 peak 2368 spectrum 1 weight 0.10000E+01 volume 0.34706E-02 ppm1 3.805 ppm2 8.424 CV 1 ASSI { 2369} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.31007E-02 ppm1 3.743 ppm2 8.424 CV 1 ASSI { 2370} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.77081E-03 ppm1 3.806 ppm2 8.907 CV 1 ASSI { 2371} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 4.400 2.400 1.600 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.85280E-03 ppm1 3.744 ppm2 8.906 CV 1 ASSI { 2373} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 3.800 1.800 1.800 peak 2373 spectrum 1 weight 0.10000E+01 volume 0.79694E-03 ppm1 3.974 ppm2 8.582 CV 1 ASSI { 2374} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 3.000 1.100 1.100 peak 2374 spectrum 1 weight 0.10000E+01 volume 0.16794E-02 ppm1 4.057 ppm2 8.360 CV 1 ASSI { 2384} (( segid " " and resid 78 and name HA )) (( segid " " and resid 78 and name HN )) 2.800 1.000 1.000 peak 2384 spectrum 1 weight 0.10000E+01 volume 0.25544E-02 ppm1 3.764 ppm2 8.470 CV 1 ASSI { 2387} (( segid " " and resid 71 and name HA )) ( segid " " and resid 35 and name HE% ) 3.200 1.300 1.300 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.18317E-02 ppm1 4.241 ppm2 7.022 CV 1 ASSI { 2388} (( segid " " and resid 71 and name HA )) (( segid " " and resid 35 and name HZ )) 2.500 0.800 0.800 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.39129E-02 ppm1 4.239 ppm2 6.912 CV 1 ASSI { 2389} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HN )) 3.500 1.500 1.500 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.77986E-03 ppm1 4.332 ppm2 7.915 CV 1 ASSI { 2390} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.39030E-02 ppm1 3.927 ppm2 8.434 CV 1 ASSI { 2394} (( segid " " and resid 71 and name HA )) (( segid " " and resid 75 and name HN )) 4.000 2.000 2.000 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.77163E-03 ppm1 4.243 ppm2 8.768 CV 1 ASSI { 2396} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HD2 )) 3.900 1.900 1.900 peak 2396 spectrum 1 weight 0.10000E+01 volume 0.66387E-03 ppm1 4.238 ppm2 3.073 CV 1 ASSI { 2397} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB1 )) 2.400 0.700 0.700 peak 2397 spectrum 1 weight 0.10000E+01 volume 0.40640E-02 ppm1 4.239 ppm2 2.447 CV 1 ASSI { 2398} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 2.200 0.600 0.600 peak 2398 spectrum 1 weight 0.10000E+01 volume 0.57673E-02 ppm1 4.239 ppm2 2.248 CV 1 OR { 2398} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG1 )) ASSI { 2399} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.900 1.100 1.100 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.26894E-02 ppm1 4.239 ppm2 2.034 CV 1 ASSI { 2400} (( segid " " and resid 15 and name HA )) ( segid " " and resid 18 and name HB% ) 3.000 1.200 1.200 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.22126E-02 ppm1 3.928 ppm2 1.499 CV 1 ASSI { 2401} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB )) 2.600 0.900 0.900 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.47358E-02 ppm1 3.926 ppm2 2.259 CV 1 ASSI { 2403} (( segid " " and resid 15 and name HA )) ( segid " " and resid 15 and name HG1%) 2.500 0.800 0.800 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.57184E-02 ppm1 3.926 ppm2 1.033 CV 1 ASSI { 2406} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) 3.600 1.600 1.600 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.20604E-02 ppm1 4.239 ppm2 1.467 CV 1 ASSI { 2407} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HB2 )) 2.600 0.800 0.800 peak 2407 spectrum 1 weight 0.10000E+01 volume 0.24416E-02 ppm1 4.239 ppm2 1.682 CV 1 ASSI { 2410} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H31%) 3.300 1.300 1.300 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.14398E-02 ppm1 4.330 ppm2 1.020 CV 1 OR { 2410} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H30%) ASSI { 2413} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name H28A)) 5.000 3.200 1.000 peak 2413 spectrum 1 weight 0.10000E+01 volume 0.42146E-03 ppm1 4.336 ppm2 3.512 CV 1 ASSI { 2415} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HB1 )) 1.600 0.300 0.600 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.26506E-01 ppm1 4.333 ppm2 4.198 CV 1 OR { 2415} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 42 and name HA )) ASSI { 2416} (( segid " " and resid 42 and name HB1 )) (( segid " " and resid 42 and name HB2 )) 1.700 0.300 0.500 peak 2416 spectrum 1 weight 0.10000E+01 volume 0.20121E-01 ppm1 4.194 ppm2 4.333 CV 1 ASSI { 2420} (( segid " " and resid 7 and name HA )) ( segid " " and resid 10 and name HD2%) 3.500 1.500 1.500 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.11239E-02 ppm1 3.850 ppm2 1.083 CV 1 ASSI { 2425} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB2 )) 3.600 1.600 1.600 peak 2425 spectrum 1 weight 0.10000E+01 volume 0.10418E-02 ppm1 3.850 ppm2 1.662 CV 1 ASSI { 2426} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HB1 )) 2.500 0.800 0.800 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.21721E-02 ppm1 3.851 ppm2 2.206 CV 1 ASSI { 2430} (( segid " " and resid 7 and name HA )) (( segid " " and resid 10 and name HN )) 3.400 1.500 1.500 peak 2430 spectrum 1 weight 0.10000E+01 volume 0.12542E-02 ppm1 3.850 ppm2 7.937 CV 1 ASSI { 2432} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HG2%) 2.400 0.700 0.700 peak 2432 spectrum 1 weight 0.10000E+01 volume 0.49737E-02 ppm1 3.947 ppm2 1.093 CV 1 ASSI { 2435} (( segid " " and resid 48 and name HA )) ( segid " " and resid 14 and name HD1%) 5.500 3.800 0.500 peak 2435 spectrum 1 weight 0.10000E+01 volume 0.26911E-03 ppm1 3.950 ppm2 0.739 CV 1 ASSI { 2436} (( segid " " and resid 48 and name HA )) ( segid " " and resid 45 and name HD1%) 5.100 3.300 0.900 peak 2436 spectrum 1 weight 0.10000E+01 volume 0.17155E-03 ppm1 3.945 ppm2 0.394 CV 1 ASSI { 2440} (( segid " " and resid 48 and name HA )) ( segid " " and resid 13 and name HB% ) 3.900 1.900 1.900 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.82271E-03 ppm1 3.947 ppm2 1.619 CV 1 ASSI { 2442} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HD2 )) 4.900 3.000 1.100 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.53440E-03 ppm1 3.943 ppm2 3.288 CV 1 ASSI { 2444} (( segid " " and resid 48 and name HB )) (( segid " " and resid 51 and name HG1 )) 4.900 3.000 1.100 peak 2444 spectrum 1 weight 0.10000E+01 volume 0.43402E-03 ppm1 4.416 ppm2 1.988 CV 1 ASSI { 2446} (( segid " " and resid 48 and name HB )) ( segid " " and resid 14 and name HD1%) 4.300 2.400 1.700 peak 2446 spectrum 1 weight 0.10000E+01 volume 0.28950E-03 ppm1 4.426 ppm2 0.734 CV 1 ASSI { 2447} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.50469E-02 ppm1 3.946 ppm2 4.421 CV 1 ASSI { 2452} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 2.800 1.000 1.000 peak 2452 spectrum 1 weight 0.10000E+01 volume 0.20916E-02 ppm1 3.947 ppm2 8.283 CV 1 ASSI { 2454} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HN )) 2.800 0.900 0.900 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.25599E-02 ppm1 4.420 ppm2 8.544 CV 1 ASSI { 2456} (( segid " " and resid 7 and name HB )) (( segid " " and resid 8 and name HN )) 2.900 1.000 1.000 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.21913E-02 ppm1 4.294 ppm2 8.178 CV 1 ASSI { 2458} (( segid " " and resid 7 and name HB )) (( segid " " and resid 7 and name HA )) 3.300 1.400 1.400 peak 2458 spectrum 1 weight 0.10000E+01 volume 0.84493E-03 ppm1 4.296 ppm2 3.855 CV 1 ASSI { 2465} (( segid " " and resid 24 and name HB )) (( segid " " and resid 24 and name HN )) 3.000 1.100 1.100 peak 2465 spectrum 1 weight 0.10000E+01 volume 0.28061E-02 ppm1 4.189 ppm2 8.077 CV 1 ASSI { 2468} (( segid " " and resid 21 and name HB )) (( segid " " and resid 22 and name HN )) 3.000 1.100 1.100 peak 2468 spectrum 1 weight 0.10000E+01 volume 0.29248E-02 ppm1 4.348 ppm2 8.470 CV 1 ASSI { 2470} (( segid " " and resid 24 and name HB )) (( segid " " and resid 25 and name HN )) 4.000 2.000 2.000 peak 2470 spectrum 1 weight 0.10000E+01 volume 0.10964E-02 ppm1 4.189 ppm2 8.586 CV 1 ASSI { 2471} (( segid " " and resid 3 and name HB )) (( segid " " and resid 4 and name HN )) 4.000 2.000 2.000 peak 2471 spectrum 1 weight 0.10000E+01 volume 0.14565E-02 ppm1 4.172 ppm2 8.191 CV 1 ASSI { 2472} (( segid " " and resid 21 and name HB )) (( segid " " and resid 21 and name HA )) 2.400 0.700 0.700 peak 2472 spectrum 1 weight 0.10000E+01 volume 0.69247E-02 ppm1 4.348 ppm2 4.520 CV 1 ASSI { 2473} (( segid " " and resid 21 and name HB )) ( segid " " and resid 21 and name HG2%) 2.300 0.700 0.700 peak 2473 spectrum 1 weight 0.10000E+01 volume 0.98793E-02 ppm1 4.349 ppm2 1.227 CV 1 ASSI { 2475} (( segid " " and resid 70 and name HB )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 2475 spectrum 1 weight 0.10000E+01 volume 0.19463E-02 ppm1 4.567 ppm2 8.978 CV 1 ASSI { 2477} (( segid " " and resid 70 and name HB )) (( segid " " and resid 32 and name HA )) 2.800 1.000 1.000 peak 2477 spectrum 1 weight 0.10000E+01 volume 0.24035E-02 ppm1 4.567 ppm2 5.047 CV 1 ASSI { 2478} (( segid " " and resid 70 and name HB )) (( segid " " and resid 70 and name HA )) 2.400 0.700 0.700 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.42846E-02 ppm1 4.569 ppm2 4.854 CV 1 ASSI { 2480} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HD2 )) 2.400 0.700 0.700 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.31922E-02 ppm1 4.566 ppm2 3.074 CV 1 ASSI { 2482} (( segid " " and resid 70 and name HB )) ( segid " " and resid 70 and name HG2%) 2.200 0.600 0.600 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.74540E-02 ppm1 4.571 ppm2 1.010 CV 1 ASSI { 2485} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 18 and name HB% ) 2.600 0.900 0.900 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.37626E-02 ppm1 6.759 ppm2 1.494 CV 1 ASSI { 2486} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 24 and name HG2%) 3.200 1.300 1.300 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.14210E-02 ppm1 6.759 ppm2 1.219 CV 1 ASSI { 2488} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HD1%) 3.100 1.200 1.200 peak 2488 spectrum 1 weight 0.10000E+01 volume 0.13599E-02 ppm1 6.760 ppm2 0.940 CV 1 ASSI { 2489} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 26 and name HD2%) 3.000 1.100 1.100 peak 2489 spectrum 1 weight 0.10000E+01 volume 0.19879E-02 ppm1 6.760 ppm2 0.820 CV 1 ASSI { 2490} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 14 and name HD1%) 2.800 1.000 1.000 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.24579E-02 ppm1 6.760 ppm2 0.716 CV 1 ASSI { 2493} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.80687E-02 ppm1 6.815 ppm2 0.971 CV 1 ASSI { 2494} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD1%) 3.100 1.200 1.200 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.24444E-02 ppm1 6.815 ppm2 0.580 CV 1 OR { 2494} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 5 and name HD2%) ASSI { 2495} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HB1 )) 3.400 1.500 1.500 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.15551E-02 ppm1 6.760 ppm2 2.895 CV 1 ASSI { 2496} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD1 )) 3.100 1.200 1.200 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 6.814 ppm2 3.064 CV 1 ASSI { 2497} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HD2 )) 3.300 1.300 1.300 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.13068E-02 ppm1 6.814 ppm2 2.969 CV 1 ASSI { 2500} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 56 and name HD% ) 1.800 0.400 0.400 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.20879E-01 ppm1 6.815 ppm2 7.377 CV 1 ASSI { 2503} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 18 and name HN )) 3.700 1.700 1.700 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.60492E-03 ppm1 6.760 ppm2 7.898 CV 1 ASSI { 2504} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 40 and name HA )) 2.900 2.900 3.100 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.84735E-03 ppm1 6.759 ppm2 4.657 CV 1 ASSI { 2506} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HB1 )) 4.800 2.800 1.200 peak 2506 spectrum 1 weight 0.10000E+01 volume 0.44960E-03 ppm1 6.815 ppm2 3.437 CV 1 ASSI { 2507} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HB )) 3.600 1.600 1.600 peak 2507 spectrum 1 weight 0.10000E+01 volume 0.49508E-03 ppm1 6.758 ppm2 2.324 CV 1 ASSI { 2508} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 9 and name HB2 )) 4.600 2.600 1.400 peak 2508 spectrum 1 weight 0.10000E+01 volume 0.42440E-03 ppm1 6.811 ppm2 2.624 CV 1 ASSI { 2510} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 38 and name HG11)) 3.700 1.700 1.700 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.80332E-03 ppm1 6.759 ppm2 1.878 CV 1 ASSI { 2512} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB1 )) 3.500 1.500 1.500 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.60975E-03 ppm1 6.815 ppm2 1.798 CV 1 ASSI { 2513} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 45 and name HD1%) 3.900 1.900 1.900 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.68964E-03 ppm1 6.763 ppm2 0.398 CV 1 ASSI { 2514} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 35 and name HD% ) 4.300 2.300 1.700 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.50304E-03 ppm1 6.911 ppm2 7.246 CV 1 ASSI { 2519} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HG )) 3.300 1.300 1.300 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.12606E-02 ppm1 6.917 ppm2 1.043 CV 1 OR { 2519} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 74 and name HD2%) OR { 2519} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 74 and name HD1%) ASSI { 2522} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 31 and name HD2%) 4.200 2.200 1.800 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.33722E-03 ppm1 7.301 ppm2 0.833 CV 1 ASSI { 2530} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD1%) 3.300 1.400 1.400 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.58095E-03 ppm1 7.019 ppm2 0.727 CV 1 ASSI { 2532} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HB2 )) 4.300 2.300 1.700 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.42623E-03 ppm1 7.021 ppm2 1.684 CV 1 ASSI { 2534} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HG )) 3.700 1.700 1.700 peak 2534 spectrum 1 weight 0.10000E+01 volume 0.40488E-03 ppm1 7.225 ppm2 1.917 CV 1 ASSI { 2539} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 35 and name HZ )) 2.200 0.600 0.600 peak 2539 spectrum 1 weight 0.10000E+01 volume 0.71186E-02 ppm1 7.019 ppm2 6.913 CV 1 ASSI { 2543} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 45 and name HD1%) 3.300 1.300 1.300 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.11791E-02 ppm1 7.007 ppm2 0.394 CV 1 ASSI { 2544} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 24 and name HG2%) 3.900 1.900 1.900 peak 2544 spectrum 1 weight 0.10000E+01 volume 0.52498E-03 ppm1 7.007 ppm2 1.214 CV 1 ASSI { 2546} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.900 1.900 1.900 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.89339E-03 ppm1 7.001 ppm2 0.943 CV 1 ASSI { 2548} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD1%) 3.400 1.400 1.400 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.81299E-03 ppm1 7.006 ppm2 0.723 CV 1 ASSI { 2551} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG11)) 2.400 0.700 0.700 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.16352E-02 ppm1 7.006 ppm2 1.865 CV 1 ASSI { 2553} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 40 and name HE% ) 1.800 0.400 0.400 peak 2553 spectrum 1 weight 0.10000E+01 volume 0.26191E-01 ppm1 7.007 ppm2 6.755 CV 1 ASSI { 2557} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 30 and name HE% ) 2.000 0.500 0.500 peak 2557 spectrum 1 weight 0.10000E+01 volume 0.12358E-01 ppm1 7.323 ppm2 7.219 CV 1 ASSI { 2558} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 29 and name HA )) 3.900 1.900 1.900 peak 2558 spectrum 1 weight 0.10000E+01 volume 0.47918E-03 ppm1 7.323 ppm2 4.817 CV 1 ASSI { 2562} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HB2 )) 3.400 1.400 1.400 peak 2562 spectrum 1 weight 0.10000E+01 volume 0.91093E-03 ppm1 7.324 ppm2 2.030 CV 1 ASSI { 2569} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD1%) 4.900 3.000 1.100 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.50876E-03 ppm1 7.325 ppm2 0.528 CV 1 ASSI { 2574} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB2 )) 3.500 1.500 1.500 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 7.248 ppm2 2.904 CV 1 OR { 2574} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 40 and name HB1 )) ASSI { 2581} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HB2 )) 2.400 0.700 0.700 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.48689E-02 ppm1 7.375 ppm2 2.876 CV 1 ASSI { 2586} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD1%) 3.500 1.500 1.500 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.12021E-02 ppm1 7.376 ppm2 0.576 CV 1 OR { 2586} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 5 and name HD2%) ASSI { 2588} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 2588 spectrum 1 weight 0.10000E+01 volume 0.22867E-02 ppm1 7.376 ppm2 4.805 CV 1 ASSI { 2590} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 2590 spectrum 1 weight 0.10000E+01 volume 0.22662E-02 ppm1 7.373 ppm2 8.017 CV 1 ASSI { 2591} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD2 )) 5.500 3.800 0.500 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.32506E-03 ppm1 0.885 ppm2 3.543 CV 1 ASSI { 2595} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HA )) 2.900 1.100 1.100 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.13908E-02 ppm1 0.965 ppm2 4.354 CV 1 ASSI { 2597} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 2.700 0.900 0.900 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.26426E-02 ppm1 4.769 ppm2 3.767 CV 1 ASSI { 2598} (( segid " " and resid 59 and name HA )) (( segid " " and resid 53 and name HG2 )) 3.000 1.100 1.100 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.16431E-02 ppm1 4.771 ppm2 2.368 CV 1 OR { 2598} (( segid " " and resid 59 and name HA )) (( segid " " and resid 53 and name HB2 )) ASSI { 2599} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HN )) 2.900 1.000 1.000 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.18397E-02 ppm1 4.769 ppm2 8.421 CV 1 ASSI { 2600} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 2.300 0.700 0.700 peak 2600 spectrum 1 weight 0.10000E+01 volume 0.56721E-02 ppm1 4.770 ppm2 8.907 CV 1 ASSI { 2601} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB2 )) 2.800 1.000 1.000 peak 2601 spectrum 1 weight 0.10000E+01 volume 0.37801E-02 ppm1 0.966 ppm2 1.997 CV 1 OR { 2601} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 2602} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HG )) 3.400 1.400 1.400 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.80059E-03 ppm1 1.007 ppm2 1.821 CV 1 ASSI { 2603} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HG )) 3.200 1.300 1.300 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.10658E-02 ppm1 0.978 ppm2 1.803 CV 1 ASSI { 2604} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 77 and name HA )) 2.900 1.000 1.000 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.25171E-02 ppm1 0.966 ppm2 4.266 CV 1 ASSI { 4} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HA )) 2.600 0.800 0.800 peak 4 spectrum 1 weight 0.10000E+01 volume 0.65733E-02 ppm1 8.196 ppm2 4.169 CV 1 ASSI { 5} (( segid " " and resid 66 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.800 1.000 1.000 peak 5 spectrum 1 weight 0.10000E+01 volume 0.59283E-02 ppm1 8.196 ppm2 4.008 CV 1 ASSI { 6} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HA )) 3.100 1.200 1.200 peak 6 spectrum 1 weight 0.10000E+01 volume 0.17501E-02 ppm1 7.690 ppm2 4.861 CV 1 ASSI { 7} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.600 0.800 0.800 peak 7 spectrum 1 weight 0.10000E+01 volume 0.45164E-02 ppm1 7.687 ppm2 3.000 CV 1 OR { 7} (( segid " " and resid 37 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 8} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HN )) 2.900 1.000 1.000 peak 8 spectrum 1 weight 0.10000E+01 volume 0.18041E-02 ppm1 7.687 ppm2 9.626 CV 1 ASSI { 14} (( segid " " and resid 15 and name HN )) (( segid " " and resid 15 and name HB )) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.55744E-02 ppm1 8.433 ppm2 2.257 CV 1 ASSI { 16} (( segid " " and resid 86 and name HN )) ( segid " " and resid 85 and name HB% ) 3.500 1.500 1.500 peak 16 spectrum 1 weight 0.10000E+01 volume 0.95182E-03 ppm1 7.986 ppm2 1.558 CV 1 ASSI { 17} (( segid " " and resid 86 and name HN )) ( segid " " and resid 86 and name HB% ) 3.200 1.300 1.300 peak 17 spectrum 1 weight 0.10000E+01 volume 0.17605E-02 ppm1 7.986 ppm2 1.471 CV 1 ASSI { 19} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.800 1.000 1.000 peak 19 spectrum 1 weight 0.10000E+01 volume 0.37213E-02 ppm1 7.986 ppm2 4.460 CV 1 ASSI { 22} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 4.400 2.500 1.600 peak 22 spectrum 1 weight 0.10000E+01 volume 0.38739E-03 ppm1 8.911 ppm2 8.426 CV 1 ASSI { 27} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HB )) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.36725E-02 ppm1 8.907 ppm2 1.924 CV 1 ASSI { 29} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG2 )) 3.300 1.400 1.400 peak 29 spectrum 1 weight 0.10000E+01 volume 0.78773E-03 ppm1 8.907 ppm2 2.345 CV 1 OR { 29} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 31} (( segid " " and resid 60 and name HN )) (( segid " " and resid 60 and name HG12)) 3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.12675E-02 ppm1 8.906 ppm2 1.168 CV 1 ASSI { 33} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HD1%) 4.300 2.300 1.700 peak 33 spectrum 1 weight 0.10000E+01 volume 0.94498E-03 ppm1 8.905 ppm2 0.884 CV 1 ASSI { 34} (( segid " " and resid 60 and name HN )) (( segid " " and resid 53 and name HG1 )) 4.500 2.600 1.500 peak 34 spectrum 1 weight 0.10000E+01 volume 0.51166E-03 ppm1 8.908 ppm2 2.684 CV 1 ASSI { 38} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD1%) 4.400 2.400 1.600 peak 38 spectrum 1 weight 0.10000E+01 volume 0.10829E-02 ppm1 8.192 ppm2 0.894 CV 1 ASSI { 41} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HG )) 2.500 0.800 0.800 peak 41 spectrum 1 weight 0.10000E+01 volume 0.44614E-02 ppm1 8.192 ppm2 1.711 CV 1 ASSI { 42} (( segid " " and resid 4 and name HN )) (( segid " " and resid 4 and name HB1 )) 3.300 1.300 1.300 peak 42 spectrum 1 weight 0.10000E+01 volume 0.38731E-02 ppm1 8.193 ppm2 1.623 CV 1 ASSI { 44} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HA )) 2.000 0.500 0.500 peak 44 spectrum 1 weight 0.10000E+01 volume 0.14360E-01 ppm1 8.193 ppm2 4.379 CV 1 ASSI { 45} (( segid " " and resid 4 and name HN )) (( segid " " and resid 5 and name HN )) 4.100 2.100 1.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 8.193 ppm2 9.393 CV 1 ASSI { 48} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB1 )) 3.900 1.900 1.900 peak 48 spectrum 1 weight 0.10000E+01 volume 0.49146E-03 ppm1 7.919 ppm2 2.249 CV 1 ASSI { 49} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HB2 )) 4.000 2.000 2.000 peak 49 spectrum 1 weight 0.10000E+01 volume 0.64617E-03 ppm1 7.919 ppm2 2.093 CV 1 ASSI { 50} (( segid " " and resid 85 and name HN )) (( segid " " and resid 85 and name HA )) 2.900 1.000 1.000 peak 50 spectrum 1 weight 0.10000E+01 volume 0.29816E-02 ppm1 7.919 ppm2 4.462 CV 1 ASSI { 51} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HA )) 3.200 1.300 1.300 peak 51 spectrum 1 weight 0.10000E+01 volume 0.21531E-02 ppm1 7.920 ppm2 4.376 CV 1 ASSI { 53} (( segid " " and resid 85 and name HN )) (( segid " " and resid 84 and name HN )) 3.200 1.200 1.200 peak 53 spectrum 1 weight 0.10000E+01 volume 0.12054E-02 ppm1 7.917 ppm2 7.855 CV 1 ASSI { 56} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD2%) 4.600 2.600 1.400 peak 56 spectrum 1 weight 0.10000E+01 volume 0.80265E-03 ppm1 8.485 ppm2 0.806 CV 1 ASSI { 57} (( segid " " and resid 26 and name HN )) ( segid " " and resid 26 and name HD1%) 3.200 1.300 1.300 peak 57 spectrum 1 weight 0.10000E+01 volume 0.99652E-03 ppm1 8.484 ppm2 0.670 CV 1 ASSI { 58} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HG )) 3.200 1.300 1.300 peak 58 spectrum 1 weight 0.10000E+01 volume 0.25606E-02 ppm1 8.483 ppm2 1.588 CV 1 ASSI { 59} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HB1 )) 3.200 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.34918E-02 ppm1 8.483 ppm2 1.491 CV 1 ASSI { 62} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HB1 )) 4.700 2.800 1.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.49554E-03 ppm1 8.485 ppm2 2.872 CV 1 ASSI { 64} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 64 spectrum 1 weight 0.10000E+01 volume 0.26222E-02 ppm1 8.484 ppm2 4.389 CV 1 ASSI { 71} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD21)) 3.300 1.400 1.400 peak 71 spectrum 1 weight 0.10000E+01 volume 0.24665E-02 ppm1 9.394 ppm2 7.487 CV 1 ASSI { 72} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HD22)) 2.800 1.000 1.000 peak 72 spectrum 1 weight 0.10000E+01 volume 0.13318E-02 ppm1 9.394 ppm2 7.660 CV 1 ASSI { 74} (( segid " " and resid 5 and name HN )) (( segid " " and resid 79 and name HA )) 4.000 2.000 2.000 peak 74 spectrum 1 weight 0.10000E+01 volume 0.38172E-03 ppm1 9.395 ppm2 4.893 CV 1 ASSI { 75} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HA )) 2.800 1.000 1.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.19490E-02 ppm1 9.395 ppm2 4.589 CV 1 ASSI { 78} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HB1 )) 2.600 0.800 0.800 peak 78 spectrum 1 weight 0.10000E+01 volume 0.18886E-02 ppm1 9.395 ppm2 1.611 CV 1 ASSI { 79} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB1 )) 2.400 0.700 0.700 peak 79 spectrum 1 weight 0.10000E+01 volume 0.52375E-02 ppm1 9.394 ppm2 1.536 CV 1 OR { 79} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HG )) ASSI { 80} (( segid " " and resid 5 and name HN )) (( segid " " and resid 5 and name HB2 )) 2.300 0.600 0.600 peak 80 spectrum 1 weight 0.10000E+01 volume 0.60811E-02 ppm1 9.395 ppm2 1.465 CV 1 ASSI { 81} (( segid " " and resid 5 and name HN )) ( segid " " and resid 5 and name HD2%) 3.900 1.900 1.900 peak 81 spectrum 1 weight 0.10000E+01 volume 0.14579E-02 ppm1 9.396 ppm2 0.591 CV 1 ASSI { 87} (( segid " " and resid 81 and name HN )) ( segid " " and resid 81 and name HB% ) 2.300 0.700 0.700 peak 87 spectrum 1 weight 0.10000E+01 volume 0.99302E-02 ppm1 7.679 ppm2 1.629 CV 1 ASSI { 89} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HG )) 4.600 2.600 1.400 peak 89 spectrum 1 weight 0.10000E+01 volume 0.48187E-03 ppm1 7.678 ppm2 1.867 CV 1 ASSI { 93} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.400 0.700 0.700 peak 93 spectrum 1 weight 0.10000E+01 volume 0.66006E-02 ppm1 7.916 ppm2 1.921 CV 1 ASSI { 94} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HB2 )) 2.400 0.700 0.700 peak 94 spectrum 1 weight 0.10000E+01 volume 0.67451E-02 ppm1 7.916 ppm2 1.797 CV 1 OR { 94} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HG )) ASSI { 98} (( segid " " and resid 43 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.900 1.900 1.900 peak 98 spectrum 1 weight 0.10000E+01 volume 0.55384E-03 ppm1 7.919 ppm2 2.875 CV 1 ASSI { 99} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name H28A)) 4.400 2.500 1.600 peak 99 spectrum 1 weight 0.10000E+01 volume 0.37554E-03 ppm1 7.919 ppm2 3.509 CV 1 ASSI { 101} (( segid " " and resid 81 and name HN )) (( segid " " and resid 78 and name HA )) 3.200 1.200 1.200 peak 101 spectrum 1 weight 0.10000E+01 volume 0.13072E-02 ppm1 7.680 ppm2 3.763 CV 1 ASSI { 103} (( segid " " and resid 43 and name HN )) (( segid " " and resid 43 and name HA )) 2.600 0.900 0.900 peak 103 spectrum 1 weight 0.10000E+01 volume 0.40311E-02 ppm1 7.916 ppm2 4.268 CV 1 ASSI { 104} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 104 spectrum 1 weight 0.10000E+01 volume 0.23162E-02 ppm1 7.917 ppm2 4.204 CV 1 OR { 104} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB1 )) ASSI { 108} (( segid " " and resid 81 and name HN )) (( segid " " and resid 81 and name HA )) 2.800 1.000 1.000 peak 108 spectrum 1 weight 0.10000E+01 volume 0.35933E-02 ppm1 7.680 ppm2 4.457 CV 1 ASSI { 109} (( segid " " and resid 81 and name HN )) (( segid " " and resid 83 and name HN )) 3.800 1.800 1.800 peak 109 spectrum 1 weight 0.10000E+01 volume 0.94884E-03 ppm1 7.681 ppm2 7.960 CV 1 ASSI { 110} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 110 spectrum 1 weight 0.10000E+01 volume 0.52658E-02 ppm1 7.680 ppm2 8.244 CV 1 ASSI { 112} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HN )) 2.400 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.72590E-02 ppm1 7.916 ppm2 8.176 CV 1 ASSI { 113} (( segid " " and resid 43 and name HN )) (( segid " " and resid 45 and name HN )) 3.600 1.600 1.600 peak 113 spectrum 1 weight 0.10000E+01 volume 0.88845E-03 ppm1 7.915 ppm2 8.428 CV 1 ASSI { 114} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HN )) 2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.26367E-02 ppm1 7.916 ppm2 8.960 CV 1 ASSI { 115} (( segid " " and resid 49 and name HN )) (( segid " " and resid 50 and name HN )) 2.600 0.800 0.800 peak 115 spectrum 1 weight 0.10000E+01 volume 0.39460E-02 ppm1 8.545 ppm2 8.008 CV 1 ASSI { 120} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 3.400 1.400 1.400 peak 120 spectrum 1 weight 0.10000E+01 volume 0.18462E-02 ppm1 8.588 ppm2 8.489 CV 1 ASSI { 124} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HA )) 3.000 1.100 1.100 peak 124 spectrum 1 weight 0.10000E+01 volume 0.17381E-02 ppm1 8.544 ppm2 4.300 CV 1 ASSI { 128} (( segid " " and resid 25 and name HN )) (( segid " " and resid 25 and name HB1 )) 3.000 1.100 1.100 peak 128 spectrum 1 weight 0.10000E+01 volume 0.34451E-02 ppm1 8.585 ppm2 2.864 CV 1 ASSI { 131} (( segid " " and resid 49 and name HN )) ( segid " " and resid 50 and name HB% ) 4.300 2.300 1.700 peak 131 spectrum 1 weight 0.10000E+01 volume 0.10405E-02 ppm1 8.544 ppm2 1.667 CV 1 ASSI { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H5B )) 4.100 2.100 1.900 peak 133 spectrum 1 weight 0.10000E+01 volume 0.78778E-03 ppm1 8.545 ppm2 1.178 CV 1 OR { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H6A )) OR { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H5A )) OR { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H6B )) OR { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H4A )) OR { 133} (( segid " " and resid 49 and name HN )) (( segid " " and resid 42 and name H4B )) ASSI { 141} (( segid " " and resid 18 and name HN )) (( segid " " and resid 15 and name HA )) 3.500 1.500 1.500 peak 141 spectrum 1 weight 0.10000E+01 volume 0.81458E-03 ppm1 7.911 ppm2 3.926 CV 1 ASSI { 146} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HN )) 2.400 0.700 0.700 peak 146 spectrum 1 weight 0.10000E+01 volume 0.54736E-02 ppm1 8.177 ppm2 8.412 CV 1 ASSI { 148} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HA )) 3.300 1.400 1.400 peak 148 spectrum 1 weight 0.10000E+01 volume 0.17191E-02 ppm1 8.177 ppm2 4.271 CV 1 ASSI { 149} (( segid " " and resid 44 and name HN )) (( segid " " and resid 45 and name HA )) 5.000 3.100 1.000 peak 149 spectrum 1 weight 0.10000E+01 volume 0.31757E-03 ppm1 8.180 ppm2 3.979 CV 1 ASSI { 150} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB1 )) 4.500 2.500 1.500 peak 150 spectrum 1 weight 0.10000E+01 volume 0.39546E-03 ppm1 8.177 ppm2 3.260 CV 1 ASSI { 151} (( segid " " and resid 44 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.400 1.500 1.500 peak 151 spectrum 1 weight 0.10000E+01 volume 0.68449E-03 ppm1 8.176 ppm2 2.883 CV 1 ASSI { 153} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB1 )) 2.400 0.700 0.700 peak 153 spectrum 1 weight 0.10000E+01 volume 0.30631E-02 ppm1 8.176 ppm2 1.920 CV 1 ASSI { 154} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HB2 )) 3.400 1.400 1.400 peak 154 spectrum 1 weight 0.10000E+01 volume 0.36123E-02 ppm1 8.178 ppm2 1.802 CV 1 OR { 154} (( segid " " and resid 44 and name HN )) (( segid " " and resid 43 and name HG )) ASSI { 156} (( segid " " and resid 44 and name HN )) ( segid " " and resid 43 and name HD1%) 4.600 2.600 1.400 peak 156 spectrum 1 weight 0.10000E+01 volume 0.47701E-03 ppm1 8.176 ppm2 1.025 CV 1 ASSI { 160} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HB )) 3.000 1.100 1.100 peak 160 spectrum 1 weight 0.10000E+01 volume 0.20640E-02 ppm1 8.295 ppm2 2.275 CV 1 ASSI { 164} (( segid " " and resid 65 and name HN )) (( segid " " and resid 62 and name HA )) 4.000 2.000 2.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.41164E-03 ppm1 8.291 ppm2 4.474 CV 1 ASSI { 165} (( segid " " and resid 65 and name HN )) (( segid " " and resid 64 and name HN )) 2.300 0.700 0.700 peak 165 spectrum 1 weight 0.10000E+01 volume 0.52869E-02 ppm1 8.294 ppm2 7.549 CV 1 ASSI { 169} (( segid " " and resid 41 and name HN )) ( segid " " and resid 44 and name HB% ) 2.500 0.800 0.800 peak 169 spectrum 1 weight 0.10000E+01 volume 0.47171E-02 ppm1 8.255 ppm2 1.605 CV 1 ASSI { 174} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HD% ) 3.900 1.900 1.900 peak 174 spectrum 1 weight 0.10000E+01 volume 0.93227E-03 ppm1 8.256 ppm2 7.008 CV 1 ASSI { 175} (( segid " " and resid 41 and name HN )) (( segid " " and resid 42 and name HN )) 4.000 2.000 2.000 peak 175 spectrum 1 weight 0.10000E+01 volume 0.73207E-03 ppm1 8.255 ppm2 8.968 CV 1 ASSI { 177} (( segid " " and resid 41 and name HN )) ( segid " " and resid 40 and name HE% ) 5.400 3.600 0.600 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22922E-03 ppm1 8.255 ppm2 6.752 CV 1 ASSI { 178} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HN )) 2.600 0.900 0.900 peak 178 spectrum 1 weight 0.10000E+01 volume 0.31326E-02 ppm1 7.944 ppm2 8.453 CV 1 ASSI { 179} (( segid " " and resid 77 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 179 spectrum 1 weight 0.10000E+01 volume 0.88382E-03 ppm1 7.940 ppm2 4.498 CV 1 ASSI { 186} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB1 )) 2.200 0.600 0.600 peak 186 spectrum 1 weight 0.10000E+01 volume 0.89158E-02 ppm1 7.943 ppm2 1.988 CV 1 OR { 186} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HB2 )) ASSI { 189} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD2%) 4.200 2.200 1.800 peak 189 spectrum 1 weight 0.10000E+01 volume 0.12297E-02 ppm1 7.941 ppm2 0.986 CV 1 OR { 189} (( segid " " and resid 77 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 191} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 191 spectrum 1 weight 0.10000E+01 volume 0.33215E-02 ppm1 8.622 ppm2 2.660 CV 1 ASSI { 192} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HB1 )) 3.000 1.100 1.100 peak 192 spectrum 1 weight 0.10000E+01 volume 0.28764E-02 ppm1 8.622 ppm2 2.883 CV 1 ASSI { 194} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.43862E-02 ppm1 8.622 ppm2 3.894 CV 1 ASSI { 196} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.900 1.100 1.100 peak 196 spectrum 1 weight 0.10000E+01 volume 0.27714E-02 ppm1 8.621 ppm2 4.259 CV 1 ASSI { 197} (( segid " " and resid 29 and name HN )) (( segid " " and resid 29 and name HA )) 3.000 1.100 1.100 peak 197 spectrum 1 weight 0.10000E+01 volume 0.19733E-02 ppm1 8.621 ppm2 4.820 CV 1 ASSI { 198} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.000 2.000 2.000 peak 198 spectrum 1 weight 0.10000E+01 volume 0.97702E-03 ppm1 8.620 ppm2 8.025 CV 1 ASSI { 202} (( segid " " and resid 22 and name HN )) (( segid " " and resid 21 and name HA )) 2.500 0.800 0.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.70666E-02 ppm1 8.466 ppm2 4.515 CV 1 ASSI { 203} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HA )) 2.900 1.100 1.100 peak 203 spectrum 1 weight 0.10000E+01 volume 0.26837E-02 ppm1 8.466 ppm2 4.709 CV 1 ASSI { 204} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB2 )) 2.700 0.900 0.900 peak 204 spectrum 1 weight 0.10000E+01 volume 0.58177E-02 ppm1 8.466 ppm2 2.807 CV 1 OR { 204} (( segid " " and resid 22 and name HN )) (( segid " " and resid 22 and name HB1 )) ASSI { 205} (( segid " " and resid 22 and name HN )) ( segid " " and resid 21 and name HG2%) 3.900 1.900 1.900 peak 205 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 8.465 ppm2 1.226 CV 1 ASSI { 207} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD1%) 3.400 1.500 1.500 peak 207 spectrum 1 weight 0.10000E+01 volume 0.21675E-02 ppm1 7.246 ppm2 0.946 CV 1 ASSI { 208} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB2 )) 2.500 0.800 0.800 peak 208 spectrum 1 weight 0.10000E+01 volume 0.26026E-02 ppm1 7.246 ppm2 1.427 CV 1 ASSI { 209} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HG )) 2.600 0.800 0.800 peak 209 spectrum 1 weight 0.10000E+01 volume 0.78948E-02 ppm1 7.246 ppm2 1.779 CV 1 OR { 209} (( segid " " and resid 33 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 210} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB2 )) 4.200 2.300 1.800 peak 210 spectrum 1 weight 0.10000E+01 volume 0.70646E-03 ppm1 7.247 ppm2 2.372 CV 1 ASSI { 212} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD1 )) 3.900 1.900 1.900 peak 212 spectrum 1 weight 0.10000E+01 volume 0.93351E-03 ppm1 7.245 ppm2 4.065 CV 1 ASSI { 216} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HA )) 3.400 1.400 1.400 peak 216 spectrum 1 weight 0.10000E+01 volume 0.86669E-03 ppm1 7.246 ppm2 4.693 CV 1 ASSI { 219} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HN )) 2.400 0.700 0.700 peak 219 spectrum 1 weight 0.10000E+01 volume 0.55199E-02 ppm1 7.246 ppm2 8.014 CV 1 ASSI { 220} (( segid " " and resid 33 and name HN )) (( segid " " and resid 34 and name HN )) 4.900 3.000 1.100 peak 220 spectrum 1 weight 0.10000E+01 volume 0.35273E-03 ppm1 7.247 ppm2 8.440 CV 1 ASSI { 221} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 221 spectrum 1 weight 0.10000E+01 volume 0.21661E-02 ppm1 8.190 ppm2 9.626 CV 1 ASSI { 223} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HD% ) 2.700 0.900 0.900 peak 223 spectrum 1 weight 0.10000E+01 volume 0.19629E-02 ppm1 8.188 ppm2 7.244 CV 1 ASSI { 225} (( segid " " and resid 35 and name HN )) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 225 spectrum 1 weight 0.10000E+01 volume 0.38863E-03 ppm1 8.189 ppm2 5.220 CV 1 ASSI { 226} (( segid " " and resid 35 and name HN )) (( segid " " and resid 70 and name HA )) 3.100 1.200 1.200 peak 226 spectrum 1 weight 0.10000E+01 volume 0.18713E-02 ppm1 8.188 ppm2 4.848 CV 1 ASSI { 230} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB2 )) 2.500 0.800 0.800 peak 230 spectrum 1 weight 0.10000E+01 volume 0.35448E-02 ppm1 8.190 ppm2 3.121 CV 1 ASSI { 235} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HG2 )) 4.600 2.600 1.400 peak 235 spectrum 1 weight 0.10000E+01 volume 0.42775E-03 ppm1 8.190 ppm2 1.641 CV 1 ASSI { 238} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.200 2.200 1.800 peak 238 spectrum 1 weight 0.10000E+01 volume 0.72791E-03 ppm1 8.189 ppm2 1.812 CV 1 ASSI { 239} (( segid " " and resid 35 and name HN )) ( segid " " and resid 70 and name HG2%) 4.200 2.200 1.800 peak 239 spectrum 1 weight 0.10000E+01 volume 0.14173E-02 ppm1 8.188 ppm2 1.016 CV 1 ASSI { 241} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HB1 )) 6.000 4.600 0.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.28562E-03 ppm1 8.018 ppm2 1.665 CV 1 ASSI { 242} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HG )) 4.600 2.600 1.400 peak 242 spectrum 1 weight 0.10000E+01 volume 0.66484E-03 ppm1 8.016 ppm2 1.290 CV 1 ASSI { 246} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD1%) 3.800 1.800 1.800 peak 246 spectrum 1 weight 0.10000E+01 volume 0.61551E-03 ppm1 7.959 ppm2 0.899 CV 1 ASSI { 249} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB1 )) 3.300 1.400 1.400 peak 249 spectrum 1 weight 0.10000E+01 volume 0.14218E-02 ppm1 7.957 ppm2 1.973 CV 1 ASSI { 250} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HG )) 4.000 2.000 2.000 peak 250 spectrum 1 weight 0.10000E+01 volume 0.50579E-03 ppm1 7.966 ppm2 1.864 CV 1 ASSI { 252} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB1 )) 4.200 2.200 1.800 peak 252 spectrum 1 weight 0.10000E+01 volume 0.75887E-03 ppm1 8.015 ppm2 2.886 CV 1 ASSI { 253} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HB2 )) 4.700 2.700 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.46107E-03 ppm1 8.018 ppm2 2.655 CV 1 ASSI { 255} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA2 )) 3.600 1.600 1.600 peak 255 spectrum 1 weight 0.10000E+01 volume 0.86082E-03 ppm1 7.961 ppm2 4.050 CV 1 OR { 255} (( segid " " and resid 83 and name HN )) (( segid " " and resid 80 and name HA1 )) ASSI { 256} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB1 )) 3.000 1.100 1.100 peak 256 spectrum 1 weight 0.10000E+01 volume 0.19222E-02 ppm1 8.017 ppm2 3.356 CV 1 ASSI { 258} (( segid " " and resid 83 and name HN )) (( segid " " and resid 79 and name HA )) 4.200 2.200 1.800 peak 258 spectrum 1 weight 0.10000E+01 volume 0.29742E-03 ppm1 7.959 ppm2 4.889 CV 1 ASSI { 260} (( segid " " and resid 30 and name HN )) (( segid " " and resid 29 and name HA )) 2.200 0.600 0.600 peak 260 spectrum 1 weight 0.10000E+01 volume 0.64653E-02 ppm1 8.017 ppm2 4.815 CV 1 ASSI { 261} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HA )) 2.700 0.900 0.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.21881E-02 ppm1 8.017 ppm2 4.698 CV 1 ASSI { 262} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HD% ) 2.500 0.800 0.800 peak 262 spectrum 1 weight 0.10000E+01 volume 0.40403E-02 ppm1 8.017 ppm2 7.325 CV 1 ASSI { 264} (( segid " " and resid 30 and name HN )) (( segid " " and resid 31 and name HN )) 2.200 0.600 0.600 peak 264 spectrum 1 weight 0.10000E+01 volume 0.45404E-02 ppm1 8.017 ppm2 7.599 CV 1 ASSI { 266} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HN )) 2.400 0.700 0.700 peak 266 spectrum 1 weight 0.10000E+01 volume 0.53290E-02 ppm1 7.960 ppm2 8.232 CV 1 ASSI { 269} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HN )) 4.100 2.100 1.900 peak 269 spectrum 1 weight 0.10000E+01 volume 0.70311E-03 ppm1 9.173 ppm2 7.752 CV 1 ASSI { 273} (( segid " " and resid 69 and name HN )) (( segid " " and resid 69 and name HB1 )) 3.400 1.400 1.400 peak 273 spectrum 1 weight 0.10000E+01 volume 0.28781E-02 ppm1 9.176 ppm2 2.931 CV 1 ASSI { 277} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG2%) 3.500 1.600 1.600 peak 277 spectrum 1 weight 0.10000E+01 volume 0.24296E-02 ppm1 9.173 ppm2 1.086 CV 1 OR { 277} (( segid " " and resid 69 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 282} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HA )) 3.200 1.200 1.200 peak 282 spectrum 1 weight 0.10000E+01 volume 0.20100E-02 ppm1 8.476 ppm2 4.341 CV 1 ASSI { 284} (( segid " " and resid 47 and name HN )) (( segid " " and resid 45 and name HA )) 4.000 2.000 2.000 peak 284 spectrum 1 weight 0.10000E+01 volume 0.37958E-03 ppm1 8.472 ppm2 3.980 CV 1 ASSI { 285} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG1 )) 3.000 1.100 1.100 peak 285 spectrum 1 weight 0.10000E+01 volume 0.21756E-02 ppm1 8.474 ppm2 2.562 CV 1 ASSI { 286} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HG2 )) 3.000 1.100 1.100 peak 286 spectrum 1 weight 0.10000E+01 volume 0.25811E-02 ppm1 8.475 ppm2 2.434 CV 1 ASSI { 290} (( segid " " and resid 47 and name HN )) ( segid " " and resid 44 and name HB% ) 4.400 2.400 1.600 peak 290 spectrum 1 weight 0.10000E+01 volume 0.58388E-03 ppm1 8.475 ppm2 1.615 CV 1 ASSI { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) 4.300 2.300 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.72168E-03 ppm1 6.911 ppm2 1.639 CV 1 OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HB2 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HB2 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HB2 )) OR { 293} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HB2 )) OR { 293} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HG1 )) OR { 293} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HG1 )) ASSI { 295} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) 5.000 3.200 1.000 peak 295 spectrum 1 weight 0.10000E+01 volume 0.29961E-03 ppm1 6.921 ppm2 1.541 CV 1 OR { 295} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) OR { 295} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) OR { 295} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HG2 )) ASSI { 296} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD1 )) 3.800 3.800 2.200 peak 296 spectrum 1 weight 0.10000E+01 volume 0.11000E-02 ppm1 6.908 ppm2 3.483 CV 1 OR { 296} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HD1 )) OR { 296} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HD1 )) ASSI { 297} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD2 )) 3.300 1.300 1.300 peak 297 spectrum 1 weight 0.10000E+01 volume 0.69051E-03 ppm1 6.913 ppm2 3.047 CV 1 OR { 297} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HD2 )) OR { 297} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HD2 )) ASSI { 298} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HE )) 3.300 3.300 2.700 peak 298 spectrum 1 weight 0.10000E+01 volume 0.13514E-02 ppm1 6.917 ppm2 9.051 CV 1 OR { 298} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH21)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH22)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH11)) (( segid " " and resid 72 and name HE )) OR { 298} (( segid " " and resid 72 and name HH12)) (( segid " " and resid 72 and name HE )) ASSI { 299} (( segid " " and resid 75 and name HN )) (( segid " " and resid 76 and name HN )) 2.600 0.800 0.800 peak 299 spectrum 1 weight 0.10000E+01 volume 0.35437E-02 ppm1 8.776 ppm2 8.430 CV 1 ASSI { 300} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HN )) 2.600 0.800 0.800 peak 300 spectrum 1 weight 0.10000E+01 volume 0.40564E-02 ppm1 8.777 ppm2 7.913 CV 1 ASSI { 302} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 302 spectrum 1 weight 0.10000E+01 volume 0.11266E-02 ppm1 8.775 ppm2 3.639 CV 1 ASSI { 306} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.300 0.700 0.700 peak 306 spectrum 1 weight 0.10000E+01 volume 0.31906E-02 ppm1 8.776 ppm2 2.447 CV 1 ASSI { 307} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.47219E-02 ppm1 8.775 ppm2 2.042 CV 1 ASSI { 308} (( segid " " and resid 75 and name HN )) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 308 spectrum 1 weight 0.10000E+01 volume 0.67745E-02 ppm1 8.776 ppm2 1.656 CV 1 ASSI { 311} (( segid " " and resid 75 and name HN )) ( segid " " and resid 5 and name HD1%) 4.400 2.500 1.600 peak 311 spectrum 1 weight 0.10000E+01 volume 0.34162E-03 ppm1 8.780 ppm2 0.534 CV 1 ASSI { 315} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.900 1.900 1.900 peak 315 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 8.629 ppm2 2.088 CV 1 OR { 315} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG1 )) OR { 315} (( segid " " and resid 62 and name HN )) (( segid " " and resid 61 and name HG2 )) ASSI { 319} (( segid " " and resid 62 and name HN )) (( segid " " and resid 64 and name HN )) 5.200 3.400 0.800 peak 319 spectrum 1 weight 0.10000E+01 volume 0.26009E-03 ppm1 8.631 ppm2 7.551 CV 1 ASSI { 321} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.700 0.900 0.900 peak 321 spectrum 1 weight 0.10000E+01 volume 0.27393E-02 ppm1 8.630 ppm2 8.408 CV 1 ASSI { 325} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HA2 )) 2.500 0.800 0.800 peak 325 spectrum 1 weight 0.10000E+01 volume 0.51088E-02 ppm1 8.534 ppm2 4.072 CV 1 ASSI { 326} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG1 )) 3.300 1.400 1.400 peak 326 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 8.534 ppm2 2.379 CV 1 OR { 326} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 332} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.400 0.700 0.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.49662E-02 ppm1 7.935 ppm2 8.759 CV 1 ASSI { 333} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.900 1.000 1.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.15288E-02 ppm1 7.904 ppm2 7.783 CV 1 ASSI { 336} (( segid " " and resid 40 and name HN )) ( segid " " and resid 40 and name HD% ) 3.100 1.200 1.200 peak 336 spectrum 1 weight 0.10000E+01 volume 0.15459E-02 ppm1 7.879 ppm2 7.006 CV 1 ASSI { 342} (( segid " " and resid 10 and name HN )) (( segid " " and resid 9 and name HA )) 3.500 1.600 1.600 peak 342 spectrum 1 weight 0.10000E+01 volume 0.94277E-03 ppm1 7.936 ppm2 4.514 CV 1 ASSI { 345} (( segid " " and resid 40 and name HN )) (( segid " " and resid 39 and name HA2 )) 3.000 1.100 1.100 peak 345 spectrum 1 weight 0.10000E+01 volume 0.18059E-02 ppm1 7.875 ppm2 3.817 CV 1 ASSI { 349} (( segid " " and resid 10 and name HN )) (( segid " " and resid 6 and name HN )) 4.100 2.100 1.900 peak 349 spectrum 1 weight 0.10000E+01 volume 0.39409E-03 ppm1 7.937 ppm2 9.177 CV 1 ASSI { 355} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HB1 )) 2.500 0.800 0.800 peak 355 spectrum 1 weight 0.10000E+01 volume 0.49290E-02 ppm1 7.907 ppm2 2.444 CV 1 ASSI { 356} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.900 1.000 1.000 peak 356 spectrum 1 weight 0.10000E+01 volume 0.14337E-02 ppm1 7.908 ppm2 2.302 CV 1 ASSI { 357} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB1 )) 2.400 0.700 0.700 peak 357 spectrum 1 weight 0.10000E+01 volume 0.41825E-02 ppm1 7.938 ppm2 2.202 CV 1 ASSI { 359} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HG )) 4.000 2.000 2.000 peak 359 spectrum 1 weight 0.10000E+01 volume 0.12090E-02 ppm1 7.938 ppm2 1.899 CV 1 ASSI { 361} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HG11)) 3.300 1.400 1.400 peak 361 spectrum 1 weight 0.10000E+01 volume 0.83089E-03 ppm1 7.877 ppm2 1.875 CV 1 ASSI { 362} (( segid " " and resid 10 and name HN )) (( segid " " and resid 10 and name HB2 )) 2.300 0.700 0.700 peak 362 spectrum 1 weight 0.10000E+01 volume 0.54247E-02 ppm1 7.933 ppm2 1.662 CV 1 ASSI { 375} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HN )) 2.500 0.800 0.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.39481E-02 ppm1 8.540 ppm2 8.170 CV 1 ASSI { 376} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.900 0.900 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22484E-02 ppm1 8.536 ppm2 8.604 CV 1 ASSI { 377} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HA )) 2.600 0.800 0.800 peak 377 spectrum 1 weight 0.10000E+01 volume 0.27814E-02 ppm1 8.541 ppm2 4.308 CV 1 ASSI { 380} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.400 2.500 1.600 peak 380 spectrum 1 weight 0.10000E+01 volume 0.72986E-03 ppm1 8.541 ppm2 2.337 CV 1 OR { 380} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HG2 )) OR { 380} (( segid " " and resid 52 and name HN )) (( segid " " and resid 53 and name HB1 )) ASSI { 381} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HG2 )) 4.500 2.600 1.500 peak 381 spectrum 1 weight 0.10000E+01 volume 0.54365E-03 ppm1 8.539 ppm2 1.732 CV 1 ASSI { 382} (( segid " " and resid 52 and name HN )) ( segid " " and resid 13 and name HB% ) 3.900 1.900 1.900 peak 382 spectrum 1 weight 0.10000E+01 volume 0.82729E-03 ppm1 8.540 ppm2 1.647 CV 1 ASSI { 388} (( segid " " and resid 78 and name HN )) ( segid " " and resid 74 and name HD1%) 3.800 1.800 1.800 peak 388 spectrum 1 weight 0.10000E+01 volume 0.86905E-03 ppm1 8.473 ppm2 1.068 CV 1 OR { 388} (( segid " " and resid 78 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 393} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HD1%) 3.900 1.900 1.900 peak 393 spectrum 1 weight 0.10000E+01 volume 0.18973E-02 ppm1 8.467 ppm2 0.808 CV 1 ASSI { 397} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 397 spectrum 1 weight 0.10000E+01 volume 0.49838E-02 ppm1 8.470 ppm2 1.908 CV 1 ASSI { 400} (( segid " " and resid 78 and name HN )) (( segid " " and resid 75 and name HA )) 3.600 1.600 1.600 peak 400 spectrum 1 weight 0.10000E+01 volume 0.56444E-03 ppm1 8.474 ppm2 3.920 CV 1 ASSI { 411} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HA )) 3.100 1.200 1.200 peak 411 spectrum 1 weight 0.10000E+01 volume 0.19042E-02 ppm1 8.413 ppm2 4.213 CV 1 ASSI { 419} (( segid " " and resid 45 and name HN )) ( segid " " and resid 45 and name HD2%) 4.100 2.100 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.16132E-02 ppm1 8.414 ppm2 0.578 CV 1 ASSI { 420} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB2 )) 2.500 0.800 0.800 peak 420 spectrum 1 weight 0.10000E+01 volume 0.35398E-02 ppm1 8.304 ppm2 1.444 CV 1 ASSI { 421} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG1 )) 3.600 1.700 1.700 peak 421 spectrum 1 weight 0.10000E+01 volume 0.17080E-02 ppm1 8.302 ppm2 1.318 CV 1 ASSI { 423} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.600 0.800 0.800 peak 423 spectrum 1 weight 0.10000E+01 volume 0.52411E-02 ppm1 8.303 ppm2 1.795 CV 1 ASSI { 428} (( segid " " and resid 55 and name HN )) (( segid " " and resid 52 and name HA )) 3.000 1.100 1.100 peak 428 spectrum 1 weight 0.10000E+01 volume 0.17654E-02 ppm1 8.304 ppm2 4.312 CV 1 ASSI { 429} (( segid " " and resid 55 and name HN )) (( segid " " and resid 51 and name HA )) 3.300 1.400 1.400 peak 429 spectrum 1 weight 0.10000E+01 volume 0.10389E-02 ppm1 8.305 ppm2 4.238 CV 1 ASSI { 431} (( segid " " and resid 55 and name HN )) ( segid " " and resid 56 and name HD% ) 4.400 2.500 1.600 peak 431 spectrum 1 weight 0.10000E+01 volume 0.57272E-03 ppm1 8.302 ppm2 7.375 CV 1 ASSI { 433} (( segid " " and resid 55 and name HN )) (( segid " " and resid 56 and name HN )) 2.400 0.700 0.700 peak 433 spectrum 1 weight 0.10000E+01 volume 0.51763E-02 ppm1 8.303 ppm2 8.015 CV 1 ASSI { 436} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HN )) 2.500 0.800 0.800 peak 436 spectrum 1 weight 0.10000E+01 volume 0.38986E-02 ppm1 8.167 ppm2 8.002 CV 1 ASSI { 437} (( segid " " and resid 8 and name HN )) (( segid " " and resid 9 and name HN )) 2.800 1.000 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.31719E-02 ppm1 8.178 ppm2 7.867 CV 1 ASSI { 438} (( segid " " and resid 8 and name HN )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 438 spectrum 1 weight 0.10000E+01 volume 0.25162E-02 ppm1 8.177 ppm2 4.592 CV 1 ASSI { 439} (( segid " " and resid 8 and name HN )) (( segid " " and resid 6 and name HB )) 3.200 1.300 1.300 peak 439 spectrum 1 weight 0.10000E+01 volume 0.15104E-02 ppm1 8.177 ppm2 4.826 CV 1 ASSI { 444} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HA )) 3.700 1.700 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.63702E-03 ppm1 8.178 ppm2 3.853 CV 1 ASSI { 447} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.200 1.300 1.300 peak 447 spectrum 1 weight 0.10000E+01 volume 0.41880E-02 ppm1 8.165 ppm2 2.196 CV 1 ASSI { 448} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG1 )) 3.600 1.600 1.600 peak 448 spectrum 1 weight 0.10000E+01 volume 0.34796E-02 ppm1 8.168 ppm2 1.990 CV 1 ASSI { 449} (( segid " " and resid 51 and name HN )) (( segid " " and resid 51 and name HG2 )) 2.700 0.900 0.900 peak 449 spectrum 1 weight 0.10000E+01 volume 0.10726E-02 ppm1 8.165 ppm2 1.736 CV 1 ASSI { 454} (( segid " " and resid 8 and name HN )) ( segid " " and resid 7 and name HG2%) 3.400 1.500 1.500 peak 454 spectrum 1 weight 0.10000E+01 volume 0.16122E-02 ppm1 8.177 ppm2 1.373 CV 1 ASSI { 461} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB2 )) 2.800 1.000 1.000 peak 461 spectrum 1 weight 0.10000E+01 volume 0.31928E-02 ppm1 7.864 ppm2 2.697 CV 1 OR { 461} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 462} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB2 )) 2.700 0.900 0.900 peak 462 spectrum 1 weight 0.10000E+01 volume 0.20766E-02 ppm1 7.865 ppm2 2.628 CV 1 ASSI { 463} (( segid " " and resid 9 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.400 1.500 1.500 peak 463 spectrum 1 weight 0.10000E+01 volume 0.33333E-02 ppm1 7.864 ppm2 2.997 CV 1 ASSI { 467} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HB )) 4.600 2.700 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.27071E-03 ppm1 7.862 ppm2 4.810 CV 1 OR { 467} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HA )) ASSI { 469} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 469 spectrum 1 weight 0.10000E+01 volume 0.29989E-02 ppm1 7.864 ppm2 7.935 CV 1 ASSI { 470} (( segid " " and resid 9 and name HN )) (( segid " " and resid 11 and name HN )) 4.400 2.400 1.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.44158E-03 ppm1 7.861 ppm2 8.750 CV 1 ASSI { 471} (( segid " " and resid 9 and name HN )) (( segid " " and resid 6 and name HN )) 3.500 1.600 1.600 peak 471 spectrum 1 weight 0.10000E+01 volume 0.11495E-02 ppm1 7.865 ppm2 9.178 CV 1 ASSI { 472} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.700 0.900 0.900 peak 472 spectrum 1 weight 0.10000E+01 volume 0.33027E-02 ppm1 8.757 ppm2 8.089 CV 1 ASSI { 474} (( segid " " and resid 11 and name HN )) (( segid " " and resid 30 and name HZ )) 3.400 1.400 1.400 peak 474 spectrum 1 weight 0.10000E+01 volume 0.13951E-02 ppm1 8.758 ppm2 7.291 CV 1 ASSI { 475} (( segid " " and resid 11 and name HN )) (( segid " " and resid 8 and name HA )) 3.100 1.200 1.200 peak 475 spectrum 1 weight 0.10000E+01 volume 0.17196E-02 ppm1 8.757 ppm2 4.597 CV 1 ASSI { 476} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HA )) 3.400 1.400 1.400 peak 476 spectrum 1 weight 0.10000E+01 volume 0.11271E-02 ppm1 8.757 ppm2 4.185 CV 1 ASSI { 477} (( segid " " and resid 11 and name HN )) (( segid " " and resid 7 and name HA )) 4.200 2.200 1.800 peak 477 spectrum 1 weight 0.10000E+01 volume 0.49334E-03 ppm1 8.760 ppm2 3.849 CV 1 ASSI { 483} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 483 spectrum 1 weight 0.10000E+01 volume 0.63470E-02 ppm1 8.757 ppm2 2.033 CV 1 ASSI { 485} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HB2 )) 3.700 1.700 1.700 peak 485 spectrum 1 weight 0.10000E+01 volume 0.17678E-02 ppm1 8.757 ppm2 1.661 CV 1 ASSI { 486} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG1 )) 4.400 2.400 1.600 peak 486 spectrum 1 weight 0.10000E+01 volume 0.94863E-03 ppm1 8.757 ppm2 1.436 CV 1 ASSI { 487} (( segid " " and resid 11 and name HN )) (( segid " " and resid 11 and name HG2 )) 4.400 2.400 1.600 peak 487 spectrum 1 weight 0.10000E+01 volume 0.92641E-03 ppm1 8.757 ppm2 1.284 CV 1 ASSI { 488} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD2%) 4.400 2.500 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.65054E-03 ppm1 8.753 ppm2 1.098 CV 1 ASSI { 489} (( segid " " and resid 11 and name HN )) ( segid " " and resid 10 and name HD1%) 4.600 2.700 1.400 peak 489 spectrum 1 weight 0.10000E+01 volume 0.45940E-03 ppm1 8.755 ppm2 1.033 CV 1 ASSI { 493} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD1%) 4.600 2.700 1.400 peak 493 spectrum 1 weight 0.10000E+01 volume 0.68763E-03 ppm1 8.606 ppm2 0.836 CV 1 ASSI { 496} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HB2 )) 2.700 0.900 0.900 peak 496 spectrum 1 weight 0.10000E+01 volume 0.13288E-02 ppm1 8.605 ppm2 1.404 CV 1 ASSI { 497} (( segid " " and resid 53 and name HN )) (( segid " " and resid 52 and name HG )) 4.600 2.600 1.400 peak 497 spectrum 1 weight 0.10000E+01 volume 0.47084E-03 ppm1 8.605 ppm2 2.052 CV 1 ASSI { 498} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 498 spectrum 1 weight 0.10000E+01 volume 0.63784E-02 ppm1 8.606 ppm2 2.349 CV 1 OR { 498} (( segid " " and resid 53 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 501} (( segid " " and resid 53 and name HN )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 501 spectrum 1 weight 0.10000E+01 volume 0.57580E-03 ppm1 8.608 ppm2 3.922 CV 1 ASSI { 516} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.300 1.400 1.400 peak 516 spectrum 1 weight 0.10000E+01 volume 0.19682E-02 ppm1 8.435 ppm2 1.936 CV 1 ASSI { 519} (( segid " " and resid 15 and name HN )) ( segid " " and resid 15 and name HG1%) 3.700 1.700 1.700 peak 519 spectrum 1 weight 0.10000E+01 volume 0.29477E-02 ppm1 8.433 ppm2 1.033 CV 1 ASSI { 521} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD2%) 2.600 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.20260E-02 ppm1 8.292 ppm2 0.840 CV 1 ASSI { 522} (( segid " " and resid 14 and name HN )) ( segid " " and resid 14 and name HD1%) 4.000 2.000 2.000 peak 522 spectrum 1 weight 0.10000E+01 volume 0.14543E-02 ppm1 8.291 ppm2 0.730 CV 1 ASSI { 525} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.300 0.700 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.36427E-02 ppm1 8.290 ppm2 1.458 CV 1 ASSI { 527} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HG )) 3.200 1.300 1.300 peak 527 spectrum 1 weight 0.10000E+01 volume 0.42742E-02 ppm1 8.291 ppm2 1.747 CV 1 ASSI { 528} (( segid " " and resid 14 and name HN )) ( segid " " and resid 13 and name HB% ) 2.400 0.700 0.700 peak 528 spectrum 1 weight 0.10000E+01 volume 0.44092E-02 ppm1 8.291 ppm2 1.631 CV 1 ASSI { 535} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 535 spectrum 1 weight 0.10000E+01 volume 0.49742E-02 ppm1 8.290 ppm2 7.716 CV 1 ASSI { 536} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 536 spectrum 1 weight 0.10000E+01 volume 0.35799E-02 ppm1 8.290 ppm2 8.432 CV 1 ASSI { 538} (( segid " " and resid 46 and name HN )) (( segid " " and resid 49 and name HN )) 3.900 1.900 1.900 peak 538 spectrum 1 weight 0.10000E+01 volume 0.82430E-03 ppm1 8.268 ppm2 8.563 CV 1 ASSI { 540} (( segid " " and resid 16 and name HN )) (( segid " " and resid 17 and name HN )) 2.600 0.900 0.900 peak 540 spectrum 1 weight 0.10000E+01 volume 0.28459E-02 ppm1 8.263 ppm2 7.791 CV 1 ASSI { 541} (( segid " " and resid 16 and name HN )) (( segid " " and resid 12 and name HE )) 4.500 2.500 1.500 peak 541 spectrum 1 weight 0.10000E+01 volume 0.52118E-03 ppm1 8.262 ppm2 7.533 CV 1 ASSI { 544} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HG2 )) 3.000 1.100 1.100 peak 544 spectrum 1 weight 0.10000E+01 volume 0.21780E-02 ppm1 8.267 ppm2 2.730 CV 1 ASSI { 545} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HG1 )) 2.300 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.35329E-02 ppm1 8.262 ppm2 2.624 CV 1 ASSI { 547} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB2 )) 2.200 0.600 0.600 peak 547 spectrum 1 weight 0.10000E+01 volume 0.97286E-02 ppm1 8.268 ppm2 2.339 CV 1 OR { 547} (( segid " " and resid 46 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 551} (( segid " " and resid 82 and name HN )) ( segid " " and resid 81 and name HB% ) 2.700 0.900 0.900 peak 551 spectrum 1 weight 0.10000E+01 volume 0.39175E-02 ppm1 8.236 ppm2 1.622 CV 1 ASSI { 554} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG2%) 4.000 2.000 2.000 peak 554 spectrum 1 weight 0.10000E+01 volume 0.17535E-02 ppm1 8.261 ppm2 1.123 CV 1 ASSI { 556} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD2%) 4.700 2.800 1.300 peak 556 spectrum 1 weight 0.10000E+01 volume 0.51819E-03 ppm1 8.269 ppm2 0.578 CV 1 ASSI { 557} (( segid " " and resid 46 and name HN )) ( segid " " and resid 45 and name HD1%) 5.100 3.200 0.900 peak 557 spectrum 1 weight 0.10000E+01 volume 0.37393E-03 ppm1 8.269 ppm2 0.391 CV 1 ASSI { 560} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HB1 )) 2.900 1.000 1.000 peak 560 spectrum 1 weight 0.10000E+01 volume 0.37713E-02 ppm1 8.231 ppm2 1.965 CV 1 ASSI { 563} (( segid " " and resid 82 and name HN )) (( segid " " and resid 79 and name HA )) 3.200 1.300 1.300 peak 563 spectrum 1 weight 0.10000E+01 volume 0.13084E-02 ppm1 8.231 ppm2 4.890 CV 1 ASSI { 576} (( segid " " and resid 50 and name HN )) (( segid " " and resid 51 and name HB1 )) 4.700 2.800 1.300 peak 576 spectrum 1 weight 0.10000E+01 volume 0.57164E-03 ppm1 8.006 ppm2 2.193 CV 1 ASSI { 582} (( segid " " and resid 13 and name HN )) ( segid " " and resid 52 and name HD2%) 4.900 3.000 1.100 peak 582 spectrum 1 weight 0.10000E+01 volume 0.44458E-03 ppm1 7.716 ppm2 0.997 CV 1 ASSI { 584} (( segid " " and resid 13 and name HN )) ( segid " " and resid 13 and name HB% ) 2.200 0.600 0.600 peak 584 spectrum 1 weight 0.10000E+01 volume 0.97882E-02 ppm1 7.715 ppm2 1.630 CV 1 ASSI { 589} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.100 1.200 1.200 peak 589 spectrum 1 weight 0.10000E+01 volume 0.14980E-02 ppm1 7.715 ppm2 4.187 CV 1 ASSI { 590} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.300 1.300 1.300 peak 590 spectrum 1 weight 0.10000E+01 volume 0.13223E-02 ppm1 7.715 ppm2 4.034 CV 1 ASSI { 594} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HN )) 2.600 0.800 0.800 peak 594 spectrum 1 weight 0.10000E+01 volume 0.35199E-02 ppm1 7.715 ppm2 8.090 CV 1 ASSI { 595} (( segid " " and resid 13 and name HN )) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 595 spectrum 1 weight 0.10000E+01 volume 0.83583E-03 ppm1 7.714 ppm2 8.436 CV 1 ASSI { 598} (( segid " " and resid 48 and name HN )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 598 spectrum 1 weight 0.10000E+01 volume 0.41701E-02 ppm1 8.286 ppm2 8.544 CV 1 ASSI { 599} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 599 spectrum 1 weight 0.10000E+01 volume 0.44380E-02 ppm1 8.287 ppm2 8.468 CV 1 ASSI { 601} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HB )) 2.500 0.800 0.800 peak 601 spectrum 1 weight 0.10000E+01 volume 0.37142E-02 ppm1 8.286 ppm2 4.421 CV 1 ASSI { 603} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HA )) 3.400 1.400 1.400 peak 603 spectrum 1 weight 0.10000E+01 volume 0.13850E-02 ppm1 8.287 ppm2 4.251 CV 1 ASSI { 604} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG1 )) 4.900 3.000 1.100 peak 604 spectrum 1 weight 0.10000E+01 volume 0.47625E-03 ppm1 8.287 ppm2 2.554 CV 1 ASSI { 605} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HG2 )) 4.700 2.700 1.300 peak 605 spectrum 1 weight 0.10000E+01 volume 0.65579E-03 ppm1 8.285 ppm2 2.439 CV 1 ASSI { 606} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB1 )) 3.300 1.400 1.400 peak 606 spectrum 1 weight 0.10000E+01 volume 0.23231E-02 ppm1 8.286 ppm2 2.335 CV 1 ASSI { 607} (( segid " " and resid 48 and name HN )) (( segid " " and resid 47 and name HB2 )) 2.800 0.900 0.900 peak 607 spectrum 1 weight 0.10000E+01 volume 0.19776E-02 ppm1 8.286 ppm2 2.203 CV 1 ASSI { 608} (( segid " " and resid 48 and name HN )) ( segid " " and resid 49 and name HB% ) 4.100 2.100 1.900 peak 608 spectrum 1 weight 0.10000E+01 volume 0.10363E-02 ppm1 8.284 ppm2 1.584 CV 1 ASSI { 609} (( segid " " and resid 48 and name HN )) ( segid " " and resid 48 and name HG2%) 4.000 2.000 2.000 peak 609 spectrum 1 weight 0.10000E+01 volume 0.11876E-02 ppm1 8.286 ppm2 1.093 CV 1 ASSI { 610} (( segid " " and resid 48 and name HN )) ( segid " " and resid 45 and name HD1%) 4.700 2.800 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.25911E-03 ppm1 8.285 ppm2 0.400 CV 1 ASSI { 611} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG2%) 3.500 1.600 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.16399E-02 ppm1 7.920 ppm2 1.084 CV 1 OR { 611} (( segid " " and resid 67 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 613} (( segid " " and resid 67 and name HN )) ( segid " " and resid 65 and name HB% ) 3.300 1.300 1.300 peak 613 spectrum 1 weight 0.10000E+01 volume 0.46469E-03 ppm1 7.916 ppm2 1.474 CV 1 ASSI { 615} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HB2 )) 2.600 0.800 0.800 peak 615 spectrum 1 weight 0.10000E+01 volume 0.30207E-02 ppm1 7.920 ppm2 1.873 CV 1 ASSI { 617} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD1 )) 4.400 2.400 1.600 peak 617 spectrum 1 weight 0.10000E+01 volume 0.66165E-03 ppm1 7.921 ppm2 3.258 CV 1 OR { 617} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HD2 )) ASSI { 619} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA1 )) 3.300 1.300 1.300 peak 619 spectrum 1 weight 0.10000E+01 volume 0.21130E-02 ppm1 7.921 ppm2 4.131 CV 1 ASSI { 620} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HA2 )) 2.900 1.100 1.100 peak 620 spectrum 1 weight 0.10000E+01 volume 0.22374E-02 ppm1 7.921 ppm2 4.010 CV 1 ASSI { 623} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HA )) 2.800 1.000 1.000 peak 623 spectrum 1 weight 0.10000E+01 volume 0.34651E-02 ppm1 7.921 ppm2 4.611 CV 1 ASSI { 624} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 2.200 0.600 0.600 peak 624 spectrum 1 weight 0.10000E+01 volume 0.84488E-02 ppm1 7.921 ppm2 7.750 CV 1 ASSI { 625} (( segid " " and resid 67 and name HN )) (( segid " " and resid 66 and name HN )) 2.500 0.800 0.800 peak 625 spectrum 1 weight 0.10000E+01 volume 0.50124E-02 ppm1 7.920 ppm2 8.197 CV 1 ASSI { 626} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HN )) 3.900 1.900 1.900 peak 626 spectrum 1 weight 0.10000E+01 volume 0.68969E-03 ppm1 7.692 ppm2 8.426 CV 1 ASSI { 631} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG1 )) 3.700 1.700 1.700 peak 631 spectrum 1 weight 0.10000E+01 volume 0.12044E-02 ppm1 7.687 ppm2 2.450 CV 1 OR { 631} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HG2 )) ASSI { 634} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB2 )) 3.500 1.600 1.600 peak 634 spectrum 1 weight 0.10000E+01 volume 0.60878E-03 ppm1 7.687 ppm2 2.139 CV 1 ASSI { 637} (( segid " " and resid 37 and name HN )) ( segid " " and resid 38 and name HG2%) 4.800 2.900 1.200 peak 637 spectrum 1 weight 0.10000E+01 volume 0.38456E-03 ppm1 7.690 ppm2 1.046 CV 1 ASSI { 638} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD1%) 4.100 2.100 1.900 peak 638 spectrum 1 weight 0.10000E+01 volume 0.14745E-02 ppm1 7.600 ppm2 0.520 CV 1 ASSI { 639} (( segid " " and resid 31 and name HN )) ( segid " " and resid 31 and name HD2%) 3.300 1.400 1.400 peak 639 spectrum 1 weight 0.10000E+01 volume 0.18390E-02 ppm1 7.600 ppm2 0.819 CV 1 ASSI { 641} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HG )) 2.200 0.600 0.600 peak 641 spectrum 1 weight 0.10000E+01 volume 0.43823E-02 ppm1 7.600 ppm2 1.288 CV 1 ASSI { 646} (( segid " " and resid 31 and name HN )) (( segid " " and resid 29 and name HA )) 4.600 2.600 1.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.90208E-03 ppm1 7.602 ppm2 4.816 CV 1 ASSI { 647} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HA )) 3.600 1.600 1.600 peak 647 spectrum 1 weight 0.10000E+01 volume 0.87893E-03 ppm1 7.599 ppm2 4.697 CV 1 ASSI { 650} (( segid " " and resid 31 and name HN )) ( segid " " and resid 30 and name HD% ) 3.300 1.400 1.400 peak 650 spectrum 1 weight 0.10000E+01 volume 0.10796E-02 ppm1 7.598 ppm2 7.328 CV 1 ASSI { 652} (( segid " " and resid 81 and name HN )) (( segid " " and resid 79 and name HN )) 4.100 2.100 1.900 peak 652 spectrum 1 weight 0.10000E+01 volume 0.44745E-03 ppm1 7.681 ppm2 8.896 CV 1 ASSI { 653} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG2%) 2.400 0.700 0.700 peak 653 spectrum 1 weight 0.10000E+01 volume 0.66387E-02 ppm1 7.549 ppm2 0.998 CV 1 OR { 653} (( segid " " and resid 64 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 655} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HB2 )) 2.800 1.000 1.000 peak 655 spectrum 1 weight 0.10000E+01 volume 0.14663E-02 ppm1 7.549 ppm2 2.088 CV 1 OR { 655} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HG2 )) OR { 655} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HG1 )) ASSI { 659} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.400 1.400 1.400 peak 659 spectrum 1 weight 0.10000E+01 volume 0.68269E-03 ppm1 7.550 ppm2 2.870 CV 1 ASSI { 660} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HB2 )) 3.900 1.900 1.900 peak 660 spectrum 1 weight 0.10000E+01 volume 0.65209E-03 ppm1 7.550 ppm2 2.733 CV 1 ASSI { 662} (( segid " " and resid 64 and name HN )) (( segid " " and resid 63 and name HA )) 2.900 1.100 1.100 peak 662 spectrum 1 weight 0.10000E+01 volume 0.30862E-02 ppm1 7.549 ppm2 4.637 CV 1 ASSI { 672} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HA )) 2.700 0.900 0.900 peak 672 spectrum 1 weight 0.10000E+01 volume 0.31418E-02 ppm1 8.900 ppm2 4.889 CV 1 ASSI { 676} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB1 )) 4.300 2.300 1.700 peak 676 spectrum 1 weight 0.10000E+01 volume 0.75270E-03 ppm1 8.989 ppm2 2.241 CV 1 OR { 676} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HG1 )) ASSI { 677} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.13433E-02 ppm1 8.979 ppm2 2.040 CV 1 ASSI { 678} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.700 0.900 0.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.31089E-02 ppm1 8.982 ppm2 1.870 CV 1 ASSI { 680} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.500 2.500 1.500 peak 680 spectrum 1 weight 0.10000E+01 volume 0.72477E-03 ppm1 8.983 ppm2 1.559 CV 1 ASSI { 686} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD2%) 3.900 1.900 1.900 peak 686 spectrum 1 weight 0.10000E+01 volume 0.72883E-03 ppm1 8.898 ppm2 0.998 CV 1 OR { 686} (( segid " " and resid 79 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 687} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HG2%) 3.200 1.300 1.300 peak 687 spectrum 1 weight 0.10000E+01 volume 0.24374E-02 ppm1 8.899 ppm2 0.909 CV 1 ASSI { 691} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HB )) 2.400 0.700 0.700 peak 691 spectrum 1 weight 0.10000E+01 volume 0.39280E-02 ppm1 8.899 ppm2 1.911 CV 1 ASSI { 692} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HG11)) 4.200 2.200 1.800 peak 692 spectrum 1 weight 0.10000E+01 volume 0.82183E-03 ppm1 8.899 ppm2 1.805 CV 1 ASSI { 695} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB2 )) 2.600 0.800 0.800 peak 695 spectrum 1 weight 0.10000E+01 volume 0.28401E-02 ppm1 8.899 ppm2 2.799 CV 1 ASSI { 696} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.200 1.300 1.300 peak 696 spectrum 1 weight 0.10000E+01 volume 0.43026E-02 ppm1 8.899 ppm2 3.103 CV 1 ASSI { 697} (( segid " " and resid 79 and name HN )) (( segid " " and resid 76 and name HA )) 3.400 1.400 1.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.14512E-02 ppm1 8.900 ppm2 4.498 CV 1 ASSI { 699} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA1 )) 4.700 2.700 1.300 peak 699 spectrum 1 weight 0.10000E+01 volume 0.71284E-03 ppm1 8.899 ppm2 4.034 CV 1 OR { 699} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 701} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HA )) 3.400 1.500 1.500 peak 701 spectrum 1 weight 0.10000E+01 volume 0.12690E-02 ppm1 8.899 ppm2 3.764 CV 1 ASSI { 702} (( segid " " and resid 79 and name HN )) (( segid " " and resid 80 and name HN )) 2.600 0.800 0.800 peak 702 spectrum 1 weight 0.10000E+01 volume 0.39144E-02 ppm1 8.899 ppm2 8.277 CV 1 ASSI { 706} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD21)) 3.900 1.900 1.900 peak 706 spectrum 1 weight 0.10000E+01 volume 0.53584E-03 ppm1 8.897 ppm2 7.489 CV 1 ASSI { 707} (( segid " " and resid 79 and name HN )) (( segid " " and resid 78 and name HN )) 2.600 0.800 0.800 peak 707 spectrum 1 weight 0.10000E+01 volume 0.37948E-02 ppm1 8.899 ppm2 8.471 CV 1 ASSI { 709} (( segid " " and resid 3 and name HN )) (( segid " " and resid 2 and name HA )) 3.500 1.600 1.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.62493E-03 ppm1 8.654 ppm2 4.281 CV 1 ASSI { 710} (( segid " " and resid 3 and name HN )) (( segid " " and resid 3 and name HB )) 4.500 2.500 1.500 peak 710 spectrum 1 weight 0.10000E+01 volume 0.33370E-03 ppm1 8.653 ppm2 4.177 CV 1 ASSI { 718} (( segid " " and resid 76 and name HN )) (( segid " " and resid 77 and name HN )) 2.600 0.800 0.800 peak 718 spectrum 1 weight 0.10000E+01 volume 0.35808E-02 ppm1 8.430 ppm2 7.938 CV 1 ASSI { 719} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 4.600 2.700 1.400 peak 719 spectrum 1 weight 0.10000E+01 volume 0.57323E-03 ppm1 8.422 ppm2 7.253 CV 1 ASSI { 727} (( segid " " and resid 76 and name HN )) (( segid " " and resid 76 and name HB1 )) 2.600 0.800 0.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.52647E-02 ppm1 8.429 ppm2 2.780 CV 1 ASSI { 728} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB1 )) 2.300 0.700 0.700 peak 728 spectrum 1 weight 0.10000E+01 volume 0.37737E-02 ppm1 8.428 ppm2 2.044 CV 1 ASSI { 734} (( segid " " and resid 84 and name HN )) ( segid " " and resid 83 and name HB% ) 2.900 1.000 1.000 peak 734 spectrum 1 weight 0.10000E+01 volume 0.28064E-02 ppm1 7.862 ppm2 1.590 CV 1 ASSI { 735} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG1 )) 3.900 1.900 1.900 peak 735 spectrum 1 weight 0.10000E+01 volume 0.82374E-03 ppm1 7.862 ppm2 2.493 CV 1 ASSI { 736} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HG2 )) 4.300 2.300 1.700 peak 736 spectrum 1 weight 0.10000E+01 volume 0.62683E-03 ppm1 7.859 ppm2 2.411 CV 1 ASSI { 738} (( segid " " and resid 84 and name HN )) (( segid " " and resid 84 and name HB2 )) 2.600 0.800 0.800 peak 738 spectrum 1 weight 0.10000E+01 volume 0.36643E-02 ppm1 7.863 ppm2 2.098 CV 1 ASSI { 743} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HN )) 2.600 0.900 0.900 peak 743 spectrum 1 weight 0.10000E+01 volume 0.33376E-02 ppm1 7.862 ppm2 7.954 CV 1 ASSI { 753} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB2 )) 2.700 0.900 0.900 peak 753 spectrum 1 weight 0.10000E+01 volume 0.31107E-02 ppm1 9.628 ppm2 2.137 CV 1 ASSI { 754} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB2 )) 4.100 2.100 1.900 peak 754 spectrum 1 weight 0.10000E+01 volume 0.49879E-03 ppm1 9.631 ppm2 1.810 CV 1 ASSI { 755} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD2%) 4.100 2.200 1.900 peak 755 spectrum 1 weight 0.10000E+01 volume 0.13135E-02 ppm1 8.435 ppm2 1.036 CV 1 ASSI { 757} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB2 )) 3.500 1.600 1.600 peak 757 spectrum 1 weight 0.10000E+01 volume 0.24015E-02 ppm1 8.433 ppm2 1.425 CV 1 ASSI { 759} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG1 )) 2.300 0.700 0.700 peak 759 spectrum 1 weight 0.10000E+01 volume 0.36331E-02 ppm1 8.434 ppm2 1.921 CV 1 ASSI { 761} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HG2 )) 3.600 1.600 1.600 peak 761 spectrum 1 weight 0.10000E+01 volume 0.21816E-02 ppm1 8.434 ppm2 1.629 CV 1 ASSI { 762} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.600 1.600 1.600 peak 762 spectrum 1 weight 0.10000E+01 volume 0.22040E-02 ppm1 8.434 ppm2 2.201 CV 1 ASSI { 763} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB2 )) 2.900 1.000 1.000 peak 763 spectrum 1 weight 0.10000E+01 volume 0.22933E-02 ppm1 8.434 ppm2 3.001 CV 1 OR { 763} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 765} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HD2 )) 4.700 2.700 1.300 peak 765 spectrum 1 weight 0.10000E+01 volume 0.53722E-03 ppm1 8.434 ppm2 3.327 CV 1 ASSI { 766} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HA )) 2.100 0.500 0.500 peak 766 spectrum 1 weight 0.10000E+01 volume 0.97728E-02 ppm1 8.434 ppm2 4.358 CV 1 ASSI { 767} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HA )) 2.800 1.000 1.000 peak 767 spectrum 1 weight 0.10000E+01 volume 0.20901E-02 ppm1 8.435 ppm2 4.676 CV 1 ASSI { 770} (( segid " " and resid 34 and name HN )) (( segid " " and resid 35 and name HN )) 4.100 2.100 1.900 peak 770 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 8.438 ppm2 8.178 CV 1 ASSI { 772} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 2.400 0.700 0.700 peak 772 spectrum 1 weight 0.10000E+01 volume 0.45539E-02 ppm1 8.408 ppm2 7.548 CV 1 ASSI { 773} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HA )) 2.800 0.900 0.900 peak 773 spectrum 1 weight 0.10000E+01 volume 0.39359E-02 ppm1 8.407 ppm2 4.635 CV 1 ASSI { 775} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB1 )) 3.000 1.100 1.100 peak 775 spectrum 1 weight 0.10000E+01 volume 0.22190E-02 ppm1 8.408 ppm2 2.869 CV 1 ASSI { 778} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HB2 )) 3.800 1.800 1.800 peak 778 spectrum 1 weight 0.10000E+01 volume 0.77400E-03 ppm1 8.407 ppm2 2.090 CV 1 OR { 778} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HG2 )) OR { 778} (( segid " " and resid 63 and name HN )) (( segid " " and resid 61 and name HG1 )) ASSI { 780} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG2%) 4.600 2.700 1.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.70512E-03 ppm1 8.408 ppm2 1.002 CV 1 OR { 780} (( segid " " and resid 63 and name HN )) ( segid " " and resid 64 and name HG1%) ASSI { 781} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG2%) 2.300 0.700 0.700 peak 781 spectrum 1 weight 0.10000E+01 volume 0.77755E-02 ppm1 7.754 ppm2 1.082 CV 1 OR { 781} (( segid " " and resid 68 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 784} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB1 )) 2.700 0.900 0.900 peak 784 spectrum 1 weight 0.10000E+01 volume 0.14618E-02 ppm1 7.771 ppm2 1.870 CV 1 ASSI { 785} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HG1 )) 3.600 1.600 1.600 peak 785 spectrum 1 weight 0.10000E+01 volume 0.11123E-02 ppm1 7.758 ppm2 1.727 CV 1 ASSI { 786} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HB2 )) 3.500 1.500 1.500 peak 786 spectrum 1 weight 0.10000E+01 volume 0.27556E-02 ppm1 7.778 ppm2 1.631 CV 1 OR { 786} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG1 )) ASSI { 787} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HG2 )) 4.100 2.100 1.900 peak 787 spectrum 1 weight 0.10000E+01 volume 0.81412E-03 ppm1 7.779 ppm2 1.549 CV 1 ASSI { 788} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG1 )) 2.700 0.900 0.900 peak 788 spectrum 1 weight 0.10000E+01 volume 0.32724E-02 ppm1 7.779 ppm2 2.560 CV 1 ASSI { 790} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.300 1.300 1.300 peak 790 spectrum 1 weight 0.10000E+01 volume 0.42082E-02 ppm1 7.779 ppm2 2.412 CV 1 ASSI { 792} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HD2 )) 4.300 2.300 1.700 peak 792 spectrum 1 weight 0.10000E+01 volume 0.37335E-03 ppm1 7.775 ppm2 3.051 CV 1 ASSI { 793} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HA )) 3.700 1.700 1.700 peak 793 spectrum 1 weight 0.10000E+01 volume 0.75779E-03 ppm1 7.780 ppm2 3.638 CV 1 ASSI { 796} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HA )) 2.700 0.900 0.900 peak 796 spectrum 1 weight 0.10000E+01 volume 0.28737E-02 ppm1 7.756 ppm2 4.526 CV 1 ASSI { 798} (( segid " " and resid 73 and name HN )) (( segid " " and resid 70 and name HN )) 3.400 1.400 1.400 peak 798 spectrum 1 weight 0.10000E+01 volume 0.10969E-02 ppm1 7.778 ppm2 7.412 CV 1 ASSI { 800} (( segid " " and resid 73 and name HN )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 800 spectrum 1 weight 0.10000E+01 volume 0.24262E-02 ppm1 7.778 ppm2 8.980 CV 1 ASSI { 802} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HN )) 3.000 1.100 1.100 peak 802 spectrum 1 weight 0.10000E+01 volume 0.20117E-02 ppm1 8.830 ppm2 8.177 CV 1 ASSI { 803} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HN )) 4.800 2.900 1.200 peak 803 spectrum 1 weight 0.10000E+01 volume 0.27511E-03 ppm1 8.825 ppm2 9.170 CV 1 ASSI { 804} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HA )) 2.300 0.700 0.700 peak 804 spectrum 1 weight 0.10000E+01 volume 0.77333E-02 ppm1 8.829 ppm2 4.809 CV 1 OR { 804} (( segid " " and resid 7 and name HN )) (( segid " " and resid 6 and name HB )) ASSI { 805} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HB )) 2.800 1.000 1.000 peak 805 spectrum 1 weight 0.10000E+01 volume 0.29667E-02 ppm1 8.830 ppm2 4.293 CV 1 ASSI { 806} (( segid " " and resid 7 and name HN )) (( segid " " and resid 7 and name HA )) 2.700 0.900 0.900 peak 806 spectrum 1 weight 0.10000E+01 volume 0.28470E-02 ppm1 8.830 ppm2 3.853 CV 1 ASSI { 807} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB2 )) 4.800 2.900 1.200 peak 807 spectrum 1 weight 0.10000E+01 volume 0.47728E-03 ppm1 8.830 ppm2 2.704 CV 1 OR { 807} (( segid " " and resid 7 and name HN )) (( segid " " and resid 8 and name HB1 )) ASSI { 810} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD2%) 5.400 3.700 0.600 peak 810 spectrum 1 weight 0.10000E+01 volume 0.35408E-03 ppm1 8.364 ppm2 0.810 CV 1 ASSI { 811} (( segid " " and resid 27 and name HN )) ( segid " " and resid 26 and name HD1%) 4.900 3.000 1.100 peak 811 spectrum 1 weight 0.10000E+01 volume 0.39959E-03 ppm1 8.360 ppm2 0.673 CV 1 ASSI { 814} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB1 )) 4.400 2.400 1.600 peak 814 spectrum 1 weight 0.10000E+01 volume 0.51437E-03 ppm1 8.360 ppm2 1.487 CV 1 ASSI { 815} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HB2 )) 3.900 1.900 1.900 peak 815 spectrum 1 weight 0.10000E+01 volume 0.61809E-03 ppm1 8.361 ppm2 1.334 CV 1 ASSI { 817} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 817 spectrum 1 weight 0.10000E+01 volume 0.27705E-02 ppm1 8.361 ppm2 3.973 CV 1 ASSI { 819} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HA )) 2.600 0.800 0.800 peak 819 spectrum 1 weight 0.10000E+01 volume 0.49562E-02 ppm1 8.363 ppm2 4.376 CV 1 ASSI { 821} (( segid " " and resid 27 and name HN )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 821 spectrum 1 weight 0.10000E+01 volume 0.40762E-02 ppm1 8.363 ppm2 8.472 CV 1 ASSI { 824} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 3.400 1.500 1.500 peak 824 spectrum 1 weight 0.10000E+01 volume 0.15858E-02 ppm1 8.076 ppm2 8.587 CV 1 ASSI { 825} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HN )) 3.200 1.200 1.200 peak 825 spectrum 1 weight 0.10000E+01 volume 0.18809E-02 ppm1 8.076 ppm2 8.484 CV 1 ASSI { 827} (( segid " " and resid 24 and name HN )) (( segid " " and resid 24 and name HA )) 2.800 1.000 1.000 peak 827 spectrum 1 weight 0.10000E+01 volume 0.28963E-02 ppm1 8.075 ppm2 4.334 CV 1 ASSI { 829} (( segid " " and resid 12 and name HN )) (( segid " " and resid 8 and name HA )) 3.900 1.900 1.900 peak 829 spectrum 1 weight 0.10000E+01 volume 0.65687E-03 ppm1 8.086 ppm2 4.600 CV 1 ASSI { 832} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HA )) 2.600 0.900 0.900 peak 832 spectrum 1 weight 0.10000E+01 volume 0.33510E-02 ppm1 8.090 ppm2 4.034 CV 1 ASSI { 833} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA2 )) 2.700 0.900 0.900 peak 833 spectrum 1 weight 0.10000E+01 volume 0.48634E-02 ppm1 8.076 ppm2 4.063 CV 1 OR { 833} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA1 )) ASSI { 834} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HA )) 3.600 1.600 1.600 peak 834 spectrum 1 weight 0.10000E+01 volume 0.92780E-03 ppm1 8.089 ppm2 3.599 CV 1 ASSI { 839} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.200 3.200 2.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.46696E-03 ppm1 8.076 ppm2 2.807 CV 1 OR { 839} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 842} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG1 )) 2.800 1.000 1.000 peak 842 spectrum 1 weight 0.10000E+01 volume 0.23830E-02 ppm1 8.089 ppm2 1.914 CV 1 ASSI { 843} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HG2 )) 3.200 1.300 1.300 peak 843 spectrum 1 weight 0.10000E+01 volume 0.11338E-02 ppm1 8.087 ppm2 1.668 CV 1 ASSI { 844} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG1 )) 5.000 3.200 1.000 peak 844 spectrum 1 weight 0.10000E+01 volume 0.42471E-03 ppm1 8.087 ppm2 1.435 CV 1 ASSI { 847} (( segid " " and resid 24 and name HN )) ( segid " " and resid 24 and name HG2%) 3.100 1.200 1.200 peak 847 spectrum 1 weight 0.10000E+01 volume 0.27194E-02 ppm1 8.076 ppm2 1.216 CV 1 ASSI { 848} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HG2 )) 4.000 2.000 2.000 peak 848 spectrum 1 weight 0.10000E+01 volume 0.38601E-03 ppm1 8.090 ppm2 1.285 CV 1 ASSI { 854} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HA )) 3.500 1.500 1.500 peak 854 spectrum 1 weight 0.10000E+01 volume 0.99827E-03 ppm1 7.694 ppm2 4.860 CV 1 ASSI { 856} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB2 )) 3.000 1.100 1.100 peak 856 spectrum 1 weight 0.10000E+01 volume 0.20297E-02 ppm1 7.697 ppm2 3.001 CV 1 OR { 856} (( segid " " and resid 38 and name HN )) (( segid " " and resid 37 and name HB1 )) ASSI { 857} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HB )) 3.200 1.300 1.300 peak 857 spectrum 1 weight 0.10000E+01 volume 0.26685E-02 ppm1 7.697 ppm2 2.335 CV 1 ASSI { 858} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG11)) 2.700 0.900 0.900 peak 858 spectrum 1 weight 0.10000E+01 volume 0.30348E-02 ppm1 7.695 ppm2 1.873 CV 1 ASSI { 859} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HG12)) 2.100 0.500 0.500 peak 859 spectrum 1 weight 0.10000E+01 volume 0.34397E-02 ppm1 7.696 ppm2 1.476 CV 1 ASSI { 860} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 1.100 1.100 peak 860 spectrum 1 weight 0.10000E+01 volume 0.22199E-02 ppm1 7.697 ppm2 1.057 CV 1 ASSI { 861} (( segid " " and resid 38 and name HN )) ( segid " " and resid 38 and name HD1%) 4.600 2.600 1.400 peak 861 spectrum 1 weight 0.10000E+01 volume 0.10684E-02 ppm1 7.693 ppm2 0.946 CV 1 ASSI { 863} (( segid " " and resid 6 and name HN )) ( segid " " and resid 5 and name HD2%) 3.100 1.200 1.200 peak 863 spectrum 1 weight 0.10000E+01 volume 0.10754E-02 ppm1 9.178 ppm2 0.597 CV 1 ASSI { 864} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HG )) 3.200 1.300 1.300 peak 864 spectrum 1 weight 0.10000E+01 volume 0.22488E-02 ppm1 9.180 ppm2 1.546 CV 1 OR { 864} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB1 )) ASSI { 865} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HB2 )) 4.300 2.300 1.700 peak 865 spectrum 1 weight 0.10000E+01 volume 0.94668E-03 ppm1 9.179 ppm2 1.469 CV 1 ASSI { 868} (( segid " " and resid 6 and name HN )) (( segid " " and resid 9 and name HB1 )) 3.800 1.800 1.800 peak 868 spectrum 1 weight 0.10000E+01 volume 0.28234E-02 ppm1 9.180 ppm2 2.995 CV 1 ASSI { 870} (( segid " " and resid 6 and name HN )) (( segid " " and resid 6 and name HA )) 3.100 1.200 1.200 peak 870 spectrum 1 weight 0.10000E+01 volume 0.11466E-02 ppm1 9.180 ppm2 4.800 CV 1 ASSI { 872} (( segid " " and resid 6 and name HN )) (( segid " " and resid 5 and name HN )) 4.200 2.200 1.800 peak 872 spectrum 1 weight 0.10000E+01 volume 0.77960E-03 ppm1 9.180 ppm2 9.377 CV 1 ASSI { 876} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.300 1.400 1.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.36478E-02 ppm1 8.962 ppm2 4.333 CV 1 ASSI { 877} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HB1 )) 2.400 0.700 0.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.66124E-02 ppm1 8.962 ppm2 4.204 CV 1 OR { 877} (( segid " " and resid 42 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 879} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB2 )) 3.300 1.300 1.300 peak 879 spectrum 1 weight 0.10000E+01 volume 0.31676E-02 ppm1 8.962 ppm2 2.878 CV 1 ASSI { 880} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HB1 )) 2.500 0.800 0.800 peak 880 spectrum 1 weight 0.10000E+01 volume 0.53676E-02 ppm1 8.961 ppm2 3.261 CV 1 ASSI { 883} (( segid " " and resid 42 and name HN )) ( segid " " and resid 45 and name HD2%) 4.900 3.000 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.27428E-03 ppm1 8.965 ppm2 0.572 CV 1 ASSI { 884} (( segid " " and resid 21 and name HN )) ( segid " " and resid 21 and name HG2%) 3.000 1.100 1.100 peak 884 spectrum 1 weight 0.10000E+01 volume 0.31256E-02 ppm1 8.255 ppm2 1.225 CV 1 ASSI { 886} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG1 )) 4.400 2.500 1.600 peak 886 spectrum 1 weight 0.10000E+01 volume 0.63295E-03 ppm1 8.254 ppm2 2.384 CV 1 OR { 886} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 887} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB1 )) 3.600 1.600 1.600 peak 887 spectrum 1 weight 0.10000E+01 volume 0.15513E-02 ppm1 8.255 ppm2 2.218 CV 1 ASSI { 888} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HB2 )) 4.300 2.400 1.700 peak 888 spectrum 1 weight 0.10000E+01 volume 0.87559E-03 ppm1 8.256 ppm2 2.046 CV 1 ASSI { 889} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HA )) 2.300 0.700 0.700 peak 889 spectrum 1 weight 0.10000E+01 volume 0.80373E-02 ppm1 8.255 ppm2 4.456 CV 1 ASSI { 890} (( segid " " and resid 21 and name HN )) (( segid " " and resid 21 and name HB )) 3.200 1.300 1.300 peak 890 spectrum 1 weight 0.10000E+01 volume 0.21101E-02 ppm1 8.255 ppm2 4.352 CV 1 ASSI { 891} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 3.300 1.300 1.300 peak 891 spectrum 1 weight 0.10000E+01 volume 0.24304E-02 ppm1 8.254 ppm2 8.535 CV 1 ASSI { 892} (( segid " " and resid 21 and name HN )) (( segid " " and resid 22 and name HN )) 3.100 1.200 1.200 peak 892 spectrum 1 weight 0.10000E+01 volume 0.20406E-02 ppm1 8.254 ppm2 8.454 CV 1 ASSI { 893} (( segid " " and resid 17 and name HN )) (( segid " " and resid 18 and name HN )) 2.500 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.51034E-02 ppm1 7.795 ppm2 7.907 CV 1 ASSI { 895} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HA )) 2.900 1.000 1.000 peak 895 spectrum 1 weight 0.10000E+01 volume 0.28485E-02 ppm1 7.795 ppm2 4.555 CV 1 ASSI { 897} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HA )) 3.100 1.200 1.200 peak 897 spectrum 1 weight 0.10000E+01 volume 0.20641E-02 ppm1 7.795 ppm2 4.190 CV 1 ASSI { 898} (( segid " " and resid 17 and name HN )) (( segid " " and resid 17 and name HB1 )) 2.700 0.900 0.900 peak 898 spectrum 1 weight 0.10000E+01 volume 0.31652E-02 ppm1 7.795 ppm2 4.108 CV 1 ASSI { 901} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG1 )) 4.700 2.800 1.300 peak 901 spectrum 1 weight 0.10000E+01 volume 0.42009E-03 ppm1 7.793 ppm2 2.624 CV 1 ASSI { 903} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB1 )) 3.600 1.600 1.600 peak 903 spectrum 1 weight 0.10000E+01 volume 0.18108E-02 ppm1 7.795 ppm2 2.231 CV 1 ASSI { 904} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HB2 )) 3.200 1.300 1.300 peak 904 spectrum 1 weight 0.10000E+01 volume 0.92538E-03 ppm1 7.794 ppm2 2.113 CV 1 ASSI { 905} (( segid " " and resid 17 and name HN )) ( segid " " and resid 18 and name HB% ) 4.600 2.700 1.400 peak 905 spectrum 1 weight 0.10000E+01 volume 0.69612E-03 ppm1 7.795 ppm2 1.506 CV 1 ASSI { 907} (( segid " " and resid 17 and name HN )) ( segid " " and resid 15 and name HG1%) 4.700 2.700 1.300 peak 907 spectrum 1 weight 0.10000E+01 volume 0.38913E-03 ppm1 7.798 ppm2 1.036 CV 1 ASSI { 908} (( segid " " and resid 54 and name HN )) (( segid " " and resid 52 and name HB2 )) 5.000 3.100 1.000 peak 908 spectrum 1 weight 0.10000E+01 volume 0.30731E-03 ppm1 8.099 ppm2 1.414 CV 1 ASSI { 910} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HB2 )) 2.400 0.700 0.700 peak 910 spectrum 1 weight 0.10000E+01 volume 0.40706E-02 ppm1 8.101 ppm2 2.346 CV 1 OR { 910} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 913} (( segid " " and resid 54 and name HN )) (( segid " " and resid 51 and name HA )) 2.800 2.800 3.200 peak 913 spectrum 1 weight 0.10000E+01 volume 0.25549E-02 ppm1 8.101 ppm2 4.232 CV 1 ASSI { 915} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB1 )) 2.400 0.700 0.700 peak 915 spectrum 1 weight 0.10000E+01 volume 0.71556E-02 ppm1 8.101 ppm2 4.085 CV 1 OR { 915} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 916} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 2.400 0.700 0.700 peak 916 spectrum 1 weight 0.10000E+01 volume 0.49281E-02 ppm1 8.101 ppm2 8.294 CV 1 ASSI { 917} (( segid " " and resid 54 and name HN )) (( segid " " and resid 53 and name HN )) 2.600 0.800 0.800 peak 917 spectrum 1 weight 0.10000E+01 volume 0.39393E-02 ppm1 8.101 ppm2 8.606 CV 1 ASSI { 920} (( segid " " and resid 56 and name HN )) (( segid " " and resid 58 and name HN )) 3.400 1.400 1.400 peak 920 spectrum 1 weight 0.10000E+01 volume 0.10610E-02 ppm1 8.018 ppm2 7.264 CV 1 ASSI { 922} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HA )) 3.100 1.200 1.200 peak 922 spectrum 1 weight 0.10000E+01 volume 0.16630E-02 ppm1 8.018 ppm2 4.807 CV 1 ASSI { 923} (( segid " " and resid 56 and name HN )) (( segid " " and resid 52 and name HA )) 3.500 1.500 1.500 peak 923 spectrum 1 weight 0.10000E+01 volume 0.85254E-03 ppm1 8.019 ppm2 4.303 CV 1 ASSI { 924} (( segid " " and resid 56 and name HN )) (( segid " " and resid 53 and name HA )) 3.500 1.500 1.500 peak 924 spectrum 1 weight 0.10000E+01 volume 0.65152E-03 ppm1 8.019 ppm2 4.201 CV 1 ASSI { 927} (( segid " " and resid 56 and name HN )) (( segid " " and resid 56 and name HB2 )) 2.500 0.800 0.800 peak 927 spectrum 1 weight 0.10000E+01 volume 0.31324E-02 ppm1 8.018 ppm2 2.878 CV 1 ASSI { 928} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB2 )) 3.400 1.500 1.500 peak 928 spectrum 1 weight 0.10000E+01 volume 0.16484E-02 ppm1 8.018 ppm2 1.444 CV 1 ASSI { 929} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG1 )) 4.600 2.700 1.400 peak 929 spectrum 1 weight 0.10000E+01 volume 0.50698E-03 ppm1 8.016 ppm2 1.319 CV 1 ASSI { 930} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HB1 )) 2.900 1.000 1.000 peak 930 spectrum 1 weight 0.10000E+01 volume 0.12291E-02 ppm1 8.021 ppm2 1.796 CV 1 ASSI { 935} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HG2 )) 4.800 2.800 1.200 peak 935 spectrum 1 weight 0.10000E+01 volume 0.49766E-03 ppm1 7.247 ppm2 2.339 CV 1 OR { 935} (( segid " " and resid 58 and name HN )) (( segid " " and resid 53 and name HB2 )) ASSI { 937} (( segid " " and resid 58 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.500 1.500 peak 937 spectrum 1 weight 0.10000E+01 volume 0.66608E-03 ppm1 7.250 ppm2 2.880 CV 1 ASSI { 940} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA2 )) 2.800 1.000 1.000 peak 940 spectrum 1 weight 0.10000E+01 volume 0.31599E-02 ppm1 7.250 ppm2 4.098 CV 1 OR { 940} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 942} (( segid " " and resid 58 and name HN )) (( segid " " and resid 58 and name HA )) 2.800 1.000 1.000 peak 942 spectrum 1 weight 0.10000E+01 volume 0.24051E-02 ppm1 7.254 ppm2 4.548 CV 1 ASSI { 943} (( segid " " and resid 58 and name HN )) (( segid " " and resid 57 and name HN )) 2.600 0.800 0.800 peak 943 spectrum 1 weight 0.10000E+01 volume 0.38365E-02 ppm1 7.249 ppm2 7.976 CV 1 ASSI { 946} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HN )) 2.800 1.000 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.19912E-02 ppm1 8.016 ppm2 7.599 CV 1 ASSI { 953} (( segid " " and resid 32 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.200 1.300 1.300 peak 953 spectrum 1 weight 0.10000E+01 volume 0.16173E-02 ppm1 8.016 ppm2 3.043 CV 1 ASSI { 955} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HG )) 4.600 2.600 1.400 peak 955 spectrum 1 weight 0.10000E+01 volume 0.42922E-03 ppm1 8.014 ppm2 1.749 CV 1 ASSI { 956} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.700 1.700 1.700 peak 956 spectrum 1 weight 0.10000E+01 volume 0.11666E-02 ppm1 8.014 ppm2 1.653 CV 1 ASSI { 957} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HB2 )) 3.200 1.300 1.300 peak 957 spectrum 1 weight 0.10000E+01 volume 0.82009E-03 ppm1 8.018 ppm2 1.072 CV 1 ASSI { 958} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HG )) 4.800 2.900 1.200 peak 958 spectrum 1 weight 0.10000E+01 volume 0.41067E-03 ppm1 8.015 ppm2 1.288 CV 1 ASSI { 960} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HB1 )) 3.600 1.700 1.700 peak 960 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 8.577 ppm2 4.066 CV 1 ASSI { 962} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA2 )) 2.700 0.900 0.900 peak 962 spectrum 1 weight 0.10000E+01 volume 0.42276E-02 ppm1 8.577 ppm2 3.894 CV 1 ASSI { 963} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HA )) 2.700 0.900 0.900 peak 963 spectrum 1 weight 0.10000E+01 volume 0.39872E-02 ppm1 8.578 ppm2 4.342 CV 1 ASSI { 964} (( segid " " and resid 28 and name HN )) (( segid " " and resid 28 and name HA1 )) 2.900 1.000 1.000 peak 964 spectrum 1 weight 0.10000E+01 volume 0.32043E-02 ppm1 8.577 ppm2 4.254 CV 1 ASSI { 965} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 3.100 1.200 1.200 peak 965 spectrum 1 weight 0.10000E+01 volume 0.18841E-02 ppm1 8.577 ppm2 8.367 CV 1 ASSI { 966} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB1 )) 3.300 1.400 1.400 peak 966 spectrum 1 weight 0.10000E+01 volume 0.17720E-02 ppm1 8.486 ppm2 2.806 CV 1 OR { 966} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HB2 )) ASSI { 967} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA1 )) 2.400 0.700 0.700 peak 967 spectrum 1 weight 0.10000E+01 volume 0.93757E-02 ppm1 8.487 ppm2 4.066 CV 1 OR { 967} (( segid " " and resid 23 and name HN )) (( segid " " and resid 23 and name HA2 )) ASSI { 968} (( segid " " and resid 23 and name HN )) (( segid " " and resid 24 and name HA )) 4.300 2.300 1.700 peak 968 spectrum 1 weight 0.10000E+01 volume 0.47363E-03 ppm1 8.486 ppm2 4.345 CV 1 ASSI { 969} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HA )) 2.700 0.900 0.900 peak 969 spectrum 1 weight 0.10000E+01 volume 0.42130E-02 ppm1 8.487 ppm2 4.712 CV 1 ASSI { 973} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 2.600 0.800 0.800 peak 973 spectrum 1 weight 0.10000E+01 volume 0.44403E-02 ppm1 8.275 ppm2 7.680 CV 1 ASSI { 974} (( segid " " and resid 80 and name HN )) (( segid " " and resid 76 and name HA )) 3.600 1.600 1.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.80779E-03 ppm1 8.277 ppm2 4.491 CV 1 ASSI { 975} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HA )) 3.400 1.500 1.500 peak 975 spectrum 1 weight 0.10000E+01 volume 0.11548E-02 ppm1 8.275 ppm2 4.891 CV 1 ASSI { 976} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA1 )) 2.200 0.600 0.600 peak 976 spectrum 1 weight 0.10000E+01 volume 0.12688E-01 ppm1 8.275 ppm2 4.041 CV 1 OR { 976} (( segid " " and resid 80 and name HN )) (( segid " " and resid 80 and name HA2 )) ASSI { 978} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HA )) 3.800 1.800 1.800 peak 978 spectrum 1 weight 0.10000E+01 volume 0.52118E-03 ppm1 8.275 ppm2 3.763 CV 1 ASSI { 980} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB1 )) 3.700 1.700 1.700 peak 980 spectrum 1 weight 0.10000E+01 volume 0.14296E-02 ppm1 8.275 ppm2 3.105 CV 1 ASSI { 981} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HB2 )) 3.200 1.300 1.300 peak 981 spectrum 1 weight 0.10000E+01 volume 0.99822E-03 ppm1 8.275 ppm2 2.797 CV 1 ASSI { 985} (( segid " " and resid 80 and name HN )) (( segid " " and resid 78 and name HB )) 4.700 2.700 1.300 peak 985 spectrum 1 weight 0.10000E+01 volume 0.44503E-03 ppm1 8.277 ppm2 1.915 CV 1 ASSI { 989} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG2%) 4.700 2.700 1.300 peak 989 spectrum 1 weight 0.10000E+01 volume 0.46064E-03 ppm1 7.976 ppm2 0.962 CV 1 ASSI { 991} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB1 )) 4.300 2.300 1.700 peak 991 spectrum 1 weight 0.10000E+01 volume 0.63228E-03 ppm1 7.972 ppm2 3.447 CV 1 ASSI { 992} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HB2 )) 3.500 1.600 1.600 peak 992 spectrum 1 weight 0.10000E+01 volume 0.10113E-02 ppm1 7.973 ppm2 2.876 CV 1 ASSI { 993} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HA )) 3.400 1.500 1.500 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10027E-02 ppm1 7.973 ppm2 4.802 CV 1 ASSI { 994} (( segid " " and resid 57 and name HN )) (( segid " " and resid 58 and name HA )) 5.200 3.400 0.800 peak 994 spectrum 1 weight 0.10000E+01 volume 0.24399E-03 ppm1 7.974 ppm2 4.551 CV 1 ASSI { 995} (( segid " " and resid 57 and name HN )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 995 spectrum 1 weight 0.10000E+01 volume 0.83778E-03 ppm1 7.974 ppm2 4.326 CV 1 ASSI { 996} (( segid " " and resid 57 and name HN )) (( segid " " and resid 53 and name HA )) 3.300 1.300 1.300 peak 996 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 7.972 ppm2 4.192 CV 1 ASSI { 999} (( segid " " and resid 57 and name HN )) (( segid " " and resid 56 and name HN )) 2.500 0.800 0.800 peak 999 spectrum 1 weight 0.10000E+01 volume 0.36531E-02 ppm1 7.972 ppm2 8.030 CV 1 ASSI { 1000} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB1 )) 4.100 2.100 1.900 peak 1000 spectrum 1 weight 0.10000E+01 volume 0.45728E-03 ppm1 7.889 ppm2 2.203 CV 1 ASSI { 1001} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG1 )) 3.900 1.900 1.900 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.35396E-03 ppm1 7.887 ppm2 1.928 CV 1 ASSI { 1002} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HB2 )) 4.500 2.500 1.500 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.35716E-03 ppm1 7.889 ppm2 1.810 CV 1 ASSI { 1003} (( segid " " and resid 34 and name HE )) (( segid " " and resid 34 and name HG2 )) 3.500 1.500 1.500 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.53218E-03 ppm1 7.889 ppm2 1.630 CV 1 ASSI { 1004} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HB1 )) 4.200 2.200 1.800 peak 1004 spectrum 1 weight 0.10000E+01 volume 0.24978E-03 ppm1 7.599 ppm2 2.207 CV 1 ASSI { 1005} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG1 )) 3.700 1.700 1.700 peak 1005 spectrum 1 weight 0.10000E+01 volume 0.35769E-03 ppm1 7.600 ppm2 1.981 CV 1 ASSI { 1006} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HG2 )) 4.100 2.200 1.900 peak 1006 spectrum 1 weight 0.10000E+01 volume 0.29697E-03 ppm1 7.601 ppm2 1.711 CV 1 ASSI { 1007} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB1 )) 3.700 1.700 1.700 peak 1007 spectrum 1 weight 0.10000E+01 volume 0.40859E-03 ppm1 7.505 ppm2 2.017 CV 1 OR { 1007} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HB2 )) ASSI { 1008} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HG1 )) 4.700 2.700 1.300 peak 1008 spectrum 1 weight 0.10000E+01 volume 0.20827E-03 ppm1 7.506 ppm2 1.917 CV 1 ASSI { 1009} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HB1 )) 4.200 2.200 1.800 peak 1009 spectrum 1 weight 0.10000E+01 volume 0.34283E-03 ppm1 7.436 ppm2 2.024 CV 1 ASSI { 1011} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG1 )) 3.800 1.800 1.800 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.45173E-03 ppm1 7.431 ppm2 1.726 CV 1 OR { 1011} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HG2 )) ASSI { 1015} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HD1 )) 3.600 1.600 1.600 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.61320E-03 ppm1 7.598 ppm2 3.442 CV 1 ASSI { 1016} (( segid " " and resid 51 and name HE )) (( segid " " and resid 51 and name HD2 )) 3.700 1.700 1.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.47024E-03 ppm1 7.600 ppm2 3.289 CV 1 ASSI { 1017} (( segid " " and resid 12 and name HE )) (( segid " " and resid 12 and name HD2 )) 3.800 1.800 1.800 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.40095E-03 ppm1 7.507 ppm2 3.319 CV 1 ASSI { 1018} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HD1 )) 3.300 1.300 1.300 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.10856E-02 ppm1 7.429 ppm2 3.252 CV 1 OR { 1018} (( segid " " and resid 67 and name HE )) (( segid " " and resid 67 and name HD2 )) ASSI { 1023} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB2 )) 3.400 1.500 1.500 peak 1023 spectrum 1 weight 0.10000E+01 volume 0.63686E-03 ppm1 7.372 ppm2 2.048 CV 1 OR { 1023} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HB1 )) ASSI { 1024} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG1 )) 3.600 1.600 1.600 peak 1024 spectrum 1 weight 0.10000E+01 volume 0.66973E-03 ppm1 7.375 ppm2 1.435 CV 1 ASSI { 1025} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HG2 )) 3.700 1.700 1.700 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.78938E-03 ppm1 7.373 ppm2 1.293 CV 1 ASSI { 1026} (( segid " " and resid 11 and name HE )) (( segid " " and resid 8 and name HA )) 4.000 2.000 2.000 peak 1026 spectrum 1 weight 0.10000E+01 volume 0.43217E-03 ppm1 7.372 ppm2 4.593 CV 1 ASSI { 1027} (( segid " " and resid 11 and name HE )) (( segid " " and resid 27 and name HA )) 4.000 2.000 2.000 peak 1027 spectrum 1 weight 0.10000E+01 volume 0.44872E-03 ppm1 7.374 ppm2 4.336 CV 1 ASSI { 1028} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD1 )) 2.800 1.000 1.000 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.23755E-02 ppm1 7.372 ppm2 3.220 CV 1 OR { 1028} (( segid " " and resid 11 and name HE )) (( segid " " and resid 11 and name HD2 )) ASSI { 1029} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH21)) 3.000 1.100 1.100 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.22619E-02 ppm1 9.053 ppm2 6.921 CV 1 OR { 1029} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH22)) OR { 1029} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH11)) OR { 1029} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HH12)) ASSI { 1034} (( segid " " and resid 72 and name HE )) ( segid " " and resid 31 and name HD1%) 4.400 2.400 1.600 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.20446E-03 ppm1 9.053 ppm2 0.530 CV 1 ASSI { 1035} (( segid " " and resid 72 and name HE )) (( segid " " and resid 31 and name HB2 )) 4.100 2.100 1.900 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.51199E-03 ppm1 9.054 ppm2 1.082 CV 1 ASSI { 1036} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HG1 )) 2.900 1.000 1.000 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.21009E-02 ppm1 9.053 ppm2 1.634 CV 1 OR { 1036} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB2 )) ASSI { 1037} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HG2 )) 3.600 1.700 1.700 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.85223E-03 ppm1 9.055 ppm2 1.549 CV 1 ASSI { 1038} (( segid " " and resid 72 and name HE )) (( segid " " and resid 72 and name HB1 )) 3.900 1.900 1.900 peak 1038 spectrum 1 weight 0.10000E+01 volume 0.12074E-02 ppm1 9.053 ppm2 1.872 CV 1 ASSI { 1041} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 75 and name HD1%) 2.900 1.000 1.000 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.20340E-02 ppm1 7.661 ppm2 0.811 CV 1 ASSI { 1042} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 75 and name HG )) 2.800 1.000 1.000 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.17394E-02 ppm1 7.661 ppm2 1.706 CV 1 ASSI { 1043} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB1 )) 3.600 1.600 1.600 peak 1043 spectrum 1 weight 0.10000E+01 volume 0.52426E-03 ppm1 7.660 ppm2 1.627 CV 1 ASSI { 1044} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HG )) 4.800 2.900 1.200 peak 1044 spectrum 1 weight 0.10000E+01 volume 0.42772E-03 ppm1 7.660 ppm2 1.527 CV 1 ASSI { 1047} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HB2 )) 3.500 1.500 1.500 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.22903E-02 ppm1 7.660 ppm2 2.800 CV 1 ASSI { 1048} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 76 and name HA )) 3.100 3.100 2.900 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.59520E-03 ppm1 7.660 ppm2 4.496 CV 1 ASSI { 1049} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 79 and name HA )) 4.600 2.700 1.400 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.33441E-03 ppm1 7.659 ppm2 4.887 CV 1 ASSI { 1050} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HA )) 5.000 3.200 1.000 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.43949E-03 ppm1 7.484 ppm2 4.354 CV 1 ASSI { 1052} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 79 and name HB2 )) 3.300 1.400 1.400 peak 1052 spectrum 1 weight 0.10000E+01 volume 0.10299E-02 ppm1 7.487 ppm2 2.790 CV 1 ASSI { 1053} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 75 and name HG )) 3.400 1.500 1.500 peak 1053 spectrum 1 weight 0.10000E+01 volume 0.14318E-02 ppm1 7.486 ppm2 1.711 CV 1 ASSI { 1054} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB1 )) 3.400 1.400 1.400 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.72734E-03 ppm1 7.487 ppm2 1.633 CV 1 ASSI { 1058} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD2%) 3.800 1.800 1.800 peak 1058 spectrum 1 weight 0.10000E+01 volume 0.66088E-03 ppm1 7.481 ppm2 0.973 CV 1 ASSI { 1059} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 4 and name HD1%) 3.700 1.700 1.700 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.61433E-03 ppm1 7.486 ppm2 0.899 CV 1 ASSI { 1060} (( segid " " and resid 79 and name HD21)) ( segid " " and resid 75 and name HD1%) 3.500 1.500 1.500 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.24373E-02 ppm1 7.485 ppm2 0.810 CV 1 ASSI { 1062} (( segid " " and resid 70 and name HN )) ( segid " " and resid 70 and name HG2%) 2.900 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.20863E-02 ppm1 7.410 ppm2 1.008 CV 1 ASSI { 1064} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HB2 )) 3.200 1.300 1.300 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.98726E-03 ppm1 7.406 ppm2 2.805 CV 1 ASSI { 1067} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB1 )) 3.700 1.700 1.700 peak 1067 spectrum 1 weight 0.10000E+01 volume 0.25797E-02 ppm1 7.408 ppm2 2.406 CV 1 ASSI { 1069} (( segid " " and resid 70 and name HN )) (( segid " " and resid 70 and name HA )) 3.000 1.100 1.100 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.13306E-02 ppm1 7.411 ppm2 4.861 CV 1 ASSI { 1071} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HA )) 4.300 2.300 1.700 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.11054E-02 ppm1 7.406 ppm2 4.527 CV 1 ASSI { 1074} (( segid " " and resid 70 and name HN )) (( segid " " and resid 69 and name HN )) 2.300 0.600 0.600 peak 1074 spectrum 1 weight 0.10000E+01 volume 0.68269E-02 ppm1 7.409 ppm2 9.175 CV 1 ASSI { 1076} (( segid " " and resid 19 and name HN )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.14812E-02 ppm1 8.258 ppm2 8.538 CV 1 ASSI { 1077} (( segid " " and resid 19 and name HN )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.28504E-02 ppm1 8.255 ppm2 7.912 CV 1 ASSI { 1079} (( segid " " and resid 19 and name HN )) (( segid " " and resid 15 and name HA )) 3.300 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 8.254 ppm2 3.932 CV 1 ASSI { 1082} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HG2%) 3.000 3.000 3.000 peak 1082 spectrum 1 weight 0.10000E+01 volume 0.77559E-03 ppm1 7.862 ppm2 1.058 CV 1 ASSI { 1083} (( segid " " and resid 39 and name HN )) ( segid " " and resid 38 and name HD1%) 5.300 3.600 0.700 peak 1083 spectrum 1 weight 0.10000E+01 volume 0.32965E-03 ppm1 7.862 ppm2 0.945 CV 1 ASSI { 1084} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG11)) 3.900 1.900 1.900 peak 1084 spectrum 1 weight 0.10000E+01 volume 0.48301E-03 ppm1 7.862 ppm2 1.876 CV 1 ASSI { 1085} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HG12)) 4.700 2.800 1.300 peak 1085 spectrum 1 weight 0.10000E+01 volume 0.36377E-03 ppm1 7.860 ppm2 1.486 CV 1 ASSI { 1087} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB2 )) 5.200 3.300 0.800 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.27596E-03 ppm1 7.870 ppm2 2.890 CV 1 OR { 1087} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HB1 )) ASSI { 1088} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HB )) 3.700 1.800 1.800 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.10046E-02 ppm1 7.861 ppm2 2.335 CV 1 ASSI { 1089} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA2 )) 2.400 0.700 0.700 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.61629E-02 ppm1 7.861 ppm2 3.818 CV 1 ASSI { 1090} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HA )) 4.000 2.000 2.000 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.40199E-03 ppm1 7.860 ppm2 4.859 CV 1 ASSI { 1094} (( segid " " and resid 39 and name HN )) (( segid " " and resid 39 and name HA1 )) 3.000 1.200 1.200 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.38147E-02 ppm1 7.860 ppm2 4.246 CV 1 ASSI { 1099} (( segid " " and resid 39 and name HN )) (( segid " " and resid 40 and name HA )) 5.300 3.600 0.700 peak 1099 spectrum 1 weight 0.10000E+01 volume 0.22327E-03 ppm1 7.857 ppm2 4.670 CV 1 ASSI { 1105} (( segid " " and resid 66 and name HN )) (( segid " " and resid 65 and name HN )) 2.600 0.900 0.900 peak 1105 spectrum 1 weight 0.10000E+01 volume 0.34481E-02 ppm1 8.196 ppm2 8.295 CV 1 ASSI { 1107} (( segid " " and resid 66 and name HN )) (( segid " " and resid 64 and name HA )) 3.700 1.700 1.700 peak 1107 spectrum 1 weight 0.10000E+01 volume 0.53794E-03 ppm1 8.197 ppm2 3.921 CV 1 ASSI { 1108} (( segid " " and resid 66 and name HN )) ( segid " " and resid 68 and name HG2%) 4.900 3.000 1.100 peak 1108 spectrum 1 weight 0.10000E+01 volume 0.31988E-03 ppm1 8.195 ppm2 1.076 CV 1 OR { 1108} (( segid " " and resid 66 and name HN )) ( segid " " and resid 68 and name HG1%) ASSI { 1111} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG2 )) 3.900 1.900 1.900 peak 1111 spectrum 1 weight 0.10000E+01 volume 0.50852E-03 ppm1 8.197 ppm2 1.712 CV 1 OR { 1111} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HG1 )) ASSI { 2} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H2A )) 2.500 0.800 0.800 peak 2 spectrum 1 weight 0.10000E+01 volume 0.49679E-02 ppm1 1.505 ppm2 2.509 CV 1 OR { 2} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H2B )) OR { 2} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H2A )) OR { 2} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H2B )) ASSI { 3} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H4A )) 2.800 1.000 1.000 peak 3 spectrum 1 weight 0.10000E+01 volume 0.40713E-02 ppm1 2.508 ppm2 1.166 CV 1 OR { 3} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H4A )) OR { 3} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H4B )) OR { 3} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H4B )) OR { 3} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H5B )) OR { 3} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H5B )) OR { 3} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H5A )) OR { 3} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H5A )) OR { 3} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H6A )) ASSI { 4} (( segid " " and resid 42 and name H7A )) ( segid " " and resid 42 and name H8% ) 2.100 0.600 0.600 peak 4 spectrum 1 weight 0.10000E+01 volume 0.10555E-01 ppm1 1.237 ppm2 0.839 CV 1 OR { 4} (( segid " " and resid 42 and name H7B )) ( segid " " and resid 42 and name H8% ) ASSI { 5} (( segid " " and resid 42 and name H6B )) ( segid " " and resid 42 and name H8% ) 2.300 0.600 0.600 peak 5 spectrum 1 weight 0.10000E+01 volume 0.12679E-01 ppm1 1.165 ppm2 0.839 CV 1 OR { 5} (( segid " " and resid 42 and name H6A )) ( segid " " and resid 42 and name H8% ) OR { 5} (( segid " " and resid 42 and name H5B )) ( segid " " and resid 42 and name H8% ) OR { 5} (( segid " " and resid 42 and name H5A )) ( segid " " and resid 42 and name H8% ) OR { 5} (( segid " " and resid 42 and name H4A )) ( segid " " and resid 42 and name H8% ) ASSI { 7} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H41A)) 2.300 0.700 0.700 peak 7 spectrum 1 weight 0.10000E+01 volume 0.98994E-02 ppm1 3.401 ppm2 8.269 CV 1 OR { 7} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H41A)) ASSI { 8} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H41A)) 3.000 1.100 1.100 peak 8 spectrum 1 weight 0.10000E+01 volume 0.24013E-02 ppm1 3.039 ppm2 8.268 CV 1 OR { 8} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H41A)) ASSI { 10} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H36A)) 3.000 1.200 1.200 peak 10 spectrum 1 weight 0.10000E+01 volume 0.35603E-02 ppm1 2.576 ppm2 8.111 CV 1 OR { 10} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H36A)) ASSI { 14} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H31%) 2.700 0.900 0.900 peak 14 spectrum 1 weight 0.10000E+01 volume 0.12116E-01 ppm1 3.508 ppm2 1.036 CV 1 ASSI { 15} (( segid " " and resid 42 and name H28A)) ( segid " " and resid 42 and name H30%) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15463E-01 ppm1 3.508 ppm2 1.009 CV 1 ASSI { 16} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H31%) 2.200 0.600 0.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.11219E-01 ppm1 3.848 ppm2 1.036 CV 1 ASSI { 17} (( segid " " and resid 42 and name H28B)) ( segid " " and resid 42 and name H30%) 1.900 0.500 0.500 peak 17 spectrum 1 weight 0.10000E+01 volume 0.18263E-01 ppm1 3.852 ppm2 1.009 CV 1 ASSI { 18} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H31%) 2.500 0.800 0.800 peak 18 spectrum 1 weight 0.10000E+01 volume 0.11638E-01 ppm1 4.130 ppm2 1.035 CV 1 ASSI { 19} (( segid " " and resid 42 and name H32A)) ( segid " " and resid 42 and name H30%) 2.400 0.700 0.700 peak 19 spectrum 1 weight 0.10000E+01 volume 0.80604E-02 ppm1 4.130 ppm2 1.009 CV 1 ASSI { 20} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H31%) 3.100 1.200 1.200 peak 20 spectrum 1 weight 0.10000E+01 volume 0.22390E-02 ppm1 8.270 ppm2 1.035 CV 1 ASSI { 21} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H31%) 2.900 1.000 1.000 peak 21 spectrum 1 weight 0.10000E+01 volume 0.65600E-02 ppm1 8.115 ppm2 1.036 CV 1 ASSI { 22} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H30%) 3.400 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.15113E-02 ppm1 8.264 ppm2 1.008 CV 1 ASSI { 25} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H38B)) 2.500 0.800 0.800 peak 25 spectrum 1 weight 0.10000E+01 volume 0.65471E-02 ppm1 3.565 ppm2 2.576 CV 1 OR { 25} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H38A)) ASSI { 26} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H38A)) 2.600 0.800 0.800 peak 26 spectrum 1 weight 0.10000E+01 volume 0.43063E-02 ppm1 3.634 ppm2 2.569 CV 1 OR { 26} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H38B)) ASSI { 27} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H43A)) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.62241E-02 ppm1 3.401 ppm2 3.038 CV 1 OR { 27} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H43B)) OR { 27} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H43A)) OR { 27} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H43B)) ASSI { 28} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H38A)) 4.100 2.100 1.900 peak 28 spectrum 1 weight 0.10000E+01 volume 0.90295E-03 ppm1 3.402 ppm2 2.574 CV 1 OR { 28} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H38B)) OR { 28} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H38A)) OR { 28} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H38B)) ASSI { 29} (( segid " " and resid 42 and name H43B)) (( segid " " and resid 42 and name H38A)) 4.100 2.100 1.900 peak 29 spectrum 1 weight 0.10000E+01 volume 0.66572E-03 ppm1 3.036 ppm2 2.573 CV 1 OR { 29} (( segid " " and resid 42 and name H43A)) (( segid " " and resid 42 and name H38A)) ASSI { 30} (( segid " " and resid 42 and name H42B)) ( segid " " and resid 42 and name H31%) 3.600 1.600 1.600 peak 30 spectrum 1 weight 0.10000E+01 volume 0.94323E-03 ppm1 3.399 ppm2 1.036 CV 1 OR { 30} (( segid " " and resid 42 and name H42A)) ( segid " " and resid 42 and name H31%) ASSI { 31} (( segid " " and resid 42 and name H37A)) ( segid " " and resid 42 and name H31%) 3.900 1.900 1.900 peak 31 spectrum 1 weight 0.10000E+01 volume 0.90280E-03 ppm1 3.623 ppm2 1.038 CV 1 ASSI { 32} (( segid " " and resid 42 and name H43B)) ( segid " " and resid 42 and name H31%) 3.200 1.300 1.300 peak 32 spectrum 1 weight 0.10000E+01 volume 0.18086E-02 ppm1 3.039 ppm2 1.036 CV 1 OR { 32} (( segid " " and resid 42 and name H43A)) ( segid " " and resid 42 and name H31%) ASSI { 33} (( segid " " and resid 42 and name H43B)) ( segid " " and resid 42 and name H30%) 3.600 1.600 1.600 peak 33 spectrum 1 weight 0.10000E+01 volume 0.10604E-02 ppm1 3.047 ppm2 1.010 CV 1 OR { 33} (( segid " " and resid 42 and name H43A)) ( segid " " and resid 42 and name H30%) ASSI { 34} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H30%) 3.500 1.600 1.600 peak 34 spectrum 1 weight 0.10000E+01 volume 0.14964E-02 ppm1 2.577 ppm2 1.006 CV 1 OR { 34} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H30%) ASSI { 35} (( segid " " and resid 42 and name H38A)) ( segid " " and resid 42 and name H31%) 3.200 1.300 1.300 peak 35 spectrum 1 weight 0.10000E+01 volume 0.19308E-02 ppm1 2.573 ppm2 1.035 CV 1 OR { 35} (( segid " " and resid 42 and name H38B)) ( segid " " and resid 42 and name H31%) ASSI { 36} (( segid " " and resid 42 and name H28A)) (( segid " " and resid 42 and name H32A)) 2.500 0.800 0.800 peak 36 spectrum 1 weight 0.10000E+01 volume 0.37024E-02 ppm1 3.506 ppm2 4.129 CV 1 ASSI { 37} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H32A)) 4.300 2.300 1.700 peak 37 spectrum 1 weight 0.10000E+01 volume 0.74766E-03 ppm1 3.626 ppm2 4.130 CV 1 ASSI { 38} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H32A)) 2.900 2.900 3.100 peak 38 spectrum 1 weight 0.10000E+01 volume 0.78691E-03 ppm1 2.577 ppm2 4.129 CV 1 OR { 38} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H32A)) ASSI { 40} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H4B )) 2.500 0.800 0.800 peak 40 spectrum 1 weight 0.10000E+01 volume 0.61371E-02 ppm1 1.508 ppm2 1.157 CV 1 OR { 40} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H4A )) OR { 40} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H4B )) OR { 40} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H4A )) OR { 40} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H5B )) OR { 40} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H5B )) OR { 40} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H5A )) OR { 40} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H6A )) OR { 40} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H5A )) ASSI { 1} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H36A)) 2.600 0.800 0.800 peak 1 spectrum 1 weight 0.10000E+01 volume 0.77899E-02 ppm1 3.622 ppm2 8.112 CV 1 ASSI { 2} (( segid " " and resid 42 and name H37B)) (( segid " " and resid 42 and name H36A)) 2.100 0.600 0.600 peak 2 spectrum 1 weight 0.10000E+01 volume 0.67019E-02 ppm1 3.574 ppm2 8.112 CV 1 ASSI { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H6B )) 2.600 0.800 0.800 peak 8 spectrum 1 weight 0.10000E+01 volume 0.81582E-02 ppm1 0.841 ppm2 1.163 CV 1 OR { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H6A )) OR { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H5B )) OR { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H5A )) OR { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H4A )) OR { 8} ( segid " " and resid 42 and name H8% ) (( segid " " and resid 42 and name H4B )) ASSI { 13} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H3A )) 5.100 3.300 0.900 peak 13 spectrum 1 weight 0.10000E+01 volume 0.73326E-03 ppm1 0.382 ppm2 1.500 CV 1 OR { 13} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H3B )) ASSI { 15} (( segid " " and resid 42 and name H6A )) (( segid " " and resid 42 and name H7B )) 2.000 0.500 0.500 peak 15 spectrum 1 weight 0.10000E+01 volume 0.26699E-01 ppm1 1.169 ppm2 1.230 CV 1 OR { 15} (( segid " " and resid 42 and name H6B )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H6B )) (( segid " " and resid 42 and name H7B )) OR { 15} (( segid " " and resid 42 and name H6A )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H5A )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H5B )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H5A )) (( segid " " and resid 42 and name H7B )) OR { 15} (( segid " " and resid 42 and name H5B )) (( segid " " and resid 42 and name H7B )) OR { 15} (( segid " " and resid 42 and name H4A )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H4B )) (( segid " " and resid 42 and name H7A )) OR { 15} (( segid " " and resid 42 and name H4A )) (( segid " " and resid 42 and name H7B )) ASSI { 17} (( segid " " and resid 42 and name H37A)) (( segid " " and resid 42 and name H41A)) 5.100 3.200 0.900 peak 17 spectrum 1 weight 0.10000E+01 volume 0.15607E-02 ppm1 3.624 ppm2 8.269 CV 1 ASSI { 20} (( segid " " and resid 42 and name H38A)) (( segid " " and resid 42 and name H41A)) 2.000 0.500 0.500 peak 20 spectrum 1 weight 0.10000E+01 volume 0.19302E-01 ppm1 2.574 ppm2 8.269 CV 1 OR { 20} (( segid " " and resid 42 and name H38B)) (( segid " " and resid 42 and name H41A)) ASSI { 21} (( segid " " and resid 42 and name H32A)) (( segid " " and resid 42 and name H36A)) 2.000 0.500 0.500 peak 21 spectrum 1 weight 0.10000E+01 volume 0.13048E-01 ppm1 4.129 ppm2 8.112 CV 1 ASSI { 24} (( segid " " and resid 42 and name H36A)) ( segid " " and resid 42 and name H30%) 2.100 0.500 0.500 peak 24 spectrum 1 weight 0.10000E+01 volume 0.68871E-02 ppm1 8.112 ppm2 1.008 CV 1 ASSI { 30} (( segid " " and resid 42 and name HB1 )) ( segid " " and resid 42 and name H31%) 4.100 2.100 1.900 peak 30 spectrum 1 weight 0.10000E+01 volume 0.29883E-02 ppm1 4.201 ppm2 1.035 CV 1 OR { 30} (( segid " " and resid 42 and name HA )) ( segid " " and resid 42 and name H31%) ASSI { 32} (( segid " " and resid 42 and name HB2 )) ( segid " " and resid 42 and name H31%) 3.000 1.100 1.100 peak 32 spectrum 1 weight 0.10000E+01 volume 0.29384E-02 ppm1 4.331 ppm2 1.034 CV 1 ASSI { 35} (( segid " " and resid 42 and name H42B)) ( segid " " and resid 42 and name H30%) 3.500 1.500 1.500 peak 35 spectrum 1 weight 0.10000E+01 volume 0.16184E-02 ppm1 3.398 ppm2 1.007 CV 1 OR { 35} (( segid " " and resid 42 and name H42A)) ( segid " " and resid 42 and name H30%) ASSI { 40} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 3.500 1.500 1.500 peak 40 spectrum 1 weight 0.10000E+01 volume 0.20009E-02 ppm1 2.841 ppm2 1.008 CV 1 ASSI { 41} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 2.700 0.900 0.900 peak 41 spectrum 1 weight 0.10000E+01 volume 0.17582E-02 ppm1 2.724 ppm2 1.009 CV 1 ASSI { 45} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H31%) 2.500 2.500 3.500 peak 45 spectrum 1 weight 0.10000E+01 volume 0.19928E-02 ppm1 2.842 ppm2 1.034 CV 1 ASSI { 46} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H31%) 2.700 2.700 3.300 peak 46 spectrum 1 weight 0.10000E+01 volume 0.15363E-02 ppm1 2.728 ppm2 1.034 CV 1 ASSI { 47} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H30%) 3.100 1.200 1.200 peak 47 spectrum 1 weight 0.10000E+01 volume 0.25317E-02 ppm1 2.327 ppm2 1.008 CV 1 OR { 47} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H30%) ASSI { 49} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 42 and name H30%) 3.500 1.600 1.600 peak 49 spectrum 1 weight 0.10000E+01 volume 0.23572E-02 ppm1 1.793 ppm2 1.009 CV 1 OR { 49} (( segid " " and resid 43 and name HG )) ( segid " " and resid 42 and name H30%) ASSI { 50} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 42 and name H31%) 2.700 2.700 3.300 peak 50 spectrum 1 weight 0.10000E+01 volume 0.13831E-02 ppm1 1.789 ppm2 1.036 CV 1 OR { 50} (( segid " " and resid 43 and name HG )) ( segid " " and resid 42 and name H31%) ASSI { 51} (( segid " " and resid 46 and name HB2 )) ( segid " " and resid 42 and name H31%) 2.500 2.500 3.500 peak 51 spectrum 1 weight 0.10000E+01 volume 0.24453E-02 ppm1 2.334 ppm2 1.034 CV 1 OR { 51} (( segid " " and resid 46 and name HB1 )) ( segid " " and resid 42 and name H31%) ASSI { 53} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H4A )) 2.900 1.100 1.100 peak 53 spectrum 1 weight 0.10000E+01 volume 0.56726E-02 ppm1 2.506 ppm2 1.164 CV 1 OR { 53} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H4A )) OR { 53} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H4B )) OR { 53} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H4B )) OR { 53} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H5B )) OR { 53} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H5B )) OR { 53} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H5A )) OR { 53} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H5A )) OR { 53} (( segid " " and resid 42 and name H2A )) (( segid " " and resid 42 and name H6A )) OR { 53} (( segid " " and resid 42 and name H2B )) (( segid " " and resid 42 and name H6A )) ASSI { 54} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H4B )) 5.100 3.200 0.900 peak 54 spectrum 1 weight 0.10000E+01 volume 0.71855E-03 ppm1 3.401 ppm2 1.159 CV 1 OR { 54} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H4A )) OR { 54} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H4B )) OR { 54} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H5B )) OR { 54} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H4A )) OR { 54} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H5A )) OR { 54} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H5B )) OR { 54} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H5A )) OR { 54} (( segid " " and resid 42 and name H42B)) (( segid " " and resid 42 and name H6A )) OR { 54} (( segid " " and resid 42 and name H42A)) (( segid " " and resid 42 and name H6A )) ASSI { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H5B )) 3.600 1.600 1.600 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13052E-02 ppm1 4.273 ppm2 1.164 CV 1 OR { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H5A )) OR { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H4B )) OR { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H4A )) OR { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H6A )) OR { 55} (( segid " " and resid 46 and name HA )) (( segid " " and resid 42 and name H6B )) ASSI { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H6B )) 4.000 2.000 2.000 peak 57 spectrum 1 weight 0.10000E+01 volume 0.13361E-02 ppm1 7.013 ppm2 1.164 CV 1 OR { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H5A )) OR { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H6A )) OR { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H5B )) OR { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H4B )) OR { 57} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 42 and name H4A )) ASSI { 58} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name H5B )) 4.000 2.000 2.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.15487E-02 ppm1 8.470 ppm2 1.163 CV 1 OR { 58} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name H5A )) OR { 58} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name H6B )) OR { 58} (( segid " " and resid 47 and name HN )) (( segid " " and resid 42 and name H6A )) ASSI { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H4B )) 4.400 2.400 1.600 peak 62 spectrum 1 weight 0.10000E+01 volume 0.11027E-02 ppm1 2.326 ppm2 1.165 CV 1 OR { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H5B )) OR { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H4A )) OR { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H5A )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H5B )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H4B )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H5A )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H4A )) OR { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H6A )) OR { 62} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 42 and name H6B )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H6A )) OR { 62} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 42 and name H6B )) ASSI { 64} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H4B )) 2.300 0.600 0.600 peak 64 spectrum 1 weight 0.10000E+01 volume 0.13047E-01 ppm1 1.501 ppm2 1.163 CV 1 OR { 64} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H4A )) OR { 64} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H4B )) OR { 64} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H4A )) OR { 64} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H5B )) OR { 64} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H5B )) OR { 64} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H5A )) OR { 64} (( segid " " and resid 42 and name H3B )) (( segid " " and resid 42 and name H6A )) OR { 64} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H5A )) OR { 64} (( segid " " and resid 42 and name H3A )) (( segid " " and resid 42 and name H6A )) ASSI { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H6A )) 3.400 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.28563E-02 ppm1 1.584 ppm2 1.165 CV 1 OR { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5B )) OR { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5A )) OR { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H6B )) OR { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H4A )) OR { 65} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H4B )) ASSI { 67} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H7A )) 4.700 2.800 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.59478E-03 ppm1 0.393 ppm2 1.224 CV 1 OR { 67} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name H7B )) ASSI { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H5A )) 3.900 1.900 1.900 peak 68 spectrum 1 weight 0.10000E+01 volume 0.12701E-02 ppm1 1.798 ppm2 1.167 CV 1 OR { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H5B )) OR { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H4B )) OR { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H6B )) OR { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H4A )) OR { 68} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name H6A )) ASSI { 69} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 42 and name H8% ) 4.300 2.300 1.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.15874E-02 ppm1 2.253 ppm2 0.838 CV 1 ASSI { 13} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 47 and name HA )) 2.600 0.800 0.800 peak 13 spectrum 1 weight 0.10000E+01 volume 0.66664E-02 ppm1 1.654 ppm2 4.251 CV 1 OR { 13} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 51 and name HA )) ASSI { 14} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 14 spectrum 1 weight 0.10000E+01 volume 0.51143E-02 ppm1 1.615 ppm2 8.264 CV 1 OR { 14} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 14 and name HN )) OR { 14} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HN )) ASSI { 15} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 15 spectrum 1 weight 0.10000E+01 volume 0.11934E-01 ppm1 1.629 ppm2 7.699 CV 1 OR { 15} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 81 and name HN )) ASSI { 20} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 44 and name HA )) 2.100 0.600 0.600 peak 20 spectrum 1 weight 0.10000E+01 volume 0.13099E-01 ppm1 1.612 ppm2 4.344 CV 1 OR { 20} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 13 and name HA )) ASSI { 22} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HA )) 3.400 1.400 1.400 peak 22 spectrum 1 weight 0.10000E+01 volume 0.17236E-02 ppm1 1.755 ppm2 4.342 CV 1 OR { 22} (( segid " " and resid 14 and name HG )) (( segid " " and resid 14 and name HA )) ASSI { 24} (( segid " " and resid 64 and name HB )) (( segid " " and resid 64 and name HA )) 2.400 0.700 0.700 peak 24 spectrum 1 weight 0.10000E+01 volume 0.71680E-02 ppm1 2.268 ppm2 3.928 CV 1 OR { 24} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HA )) ASSI { 26} (( segid " " and resid 15 and name HB )) (( segid " " and resid 15 and name HN )) 2.400 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.55055E-02 ppm1 2.260 ppm2 8.432 CV 1 OR { 26} (( segid " " and resid 64 and name HB )) (( segid " " and resid 63 and name HN )) ASSI { 27} (( segid " " and resid 15 and name HB )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.32178E-02 ppm1 2.265 ppm2 8.273 CV 1 OR { 27} (( segid " " and resid 64 and name HB )) (( segid " " and resid 65 and name HN )) ASSI { 28} (( segid " " and resid 15 and name HB )) (( segid " " and resid 12 and name HA )) 2.500 0.800 0.800 peak 28 spectrum 1 weight 0.10000E+01 volume 0.33599E-02 ppm1 2.260 ppm2 4.037 CV 1 OR { 28} (( segid " " and resid 64 and name HB )) (( segid " " and resid 61 and name HD1 )) ASSI { 36} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 2.400 0.700 0.700 peak 36 spectrum 1 weight 0.10000E+01 volume 0.76649E-02 ppm1 3.001 ppm2 7.689 CV 1 OR { 36} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) OR { 36} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) OR { 36} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) OR { 36} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) OR { 36} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) OR { 36} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) ASSI { 47} (( segid " " and resid 77 and name HG )) (( segid " " and resid 78 and name HN )) 3.900 1.900 1.900 peak 47 spectrum 1 weight 0.10000E+01 volume 0.56618E-03 ppm1 1.804 ppm2 8.468 CV 1 OR { 47} (( segid " " and resid 43 and name HG )) (( segid " " and resid 47 and name HN )) ASSI { 56} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.500 0.800 0.800 peak 56 spectrum 1 weight 0.10000E+01 volume 0.64874E-02 ppm1 4.341 ppm2 2.339 CV 1 OR { 56} (( segid " " and resid 50 and name HA )) (( segid " " and resid 53 and name HB1 )) OR { 56} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB1 )) ASSI { 57} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.40548E-02 ppm1 4.341 ppm2 2.216 CV 1 OR { 57} (( segid " " and resid 13 and name HA )) (( segid " " and resid 51 and name HB1 )) OR { 57} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HB1 )) ASSI { 58} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD2%) 2.500 0.800 0.800 peak 58 spectrum 1 weight 0.10000E+01 volume 0.44904E-02 ppm1 4.350 ppm2 0.989 CV 1 OR { 58} (( segid " " and resid 4 and name HA )) ( segid " " and resid 82 and name HD1%) OR { 58} (( segid " " and resid 13 and name HA )) ( segid " " and resid 52 and name HD2%) ASSI { 59} (( segid " " and resid 4 and name HA )) ( segid " " and resid 4 and name HD1%) 3.200 1.300 1.300 peak 59 spectrum 1 weight 0.10000E+01 volume 0.61438E-02 ppm1 4.353 ppm2 0.901 CV 1 OR { 59} (( segid " " and resid 50 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 65} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB2 )) 2.200 0.600 0.600 peak 65 spectrum 1 weight 0.10000E+01 volume 0.96967E-02 ppm1 4.246 ppm2 2.200 CV 1 OR { 65} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 67} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.200 1.300 1.300 peak 67 spectrum 1 weight 0.10000E+01 volume 0.18287E-02 ppm1 4.246 ppm2 8.287 CV 1 OR { 67} (( segid " " and resid 51 and name HA )) (( segid " " and resid 55 and name HN )) OR { 67} (( segid " " and resid 47 and name HA )) (( segid " " and resid 46 and name HN )) ASSI { 69} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.100 1.200 1.200 peak 69 spectrum 1 weight 0.10000E+01 volume 0.22134E-02 ppm1 4.249 ppm2 8.003 CV 1 OR { 69} (( segid " " and resid 51 and name HA )) (( segid " " and resid 50 and name HN )) ASSI { 70} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HB1 )) 3.900 1.900 1.900 peak 70 spectrum 1 weight 0.10000E+01 volume 0.13476E-02 ppm1 3.948 ppm2 2.195 CV 1 OR { 70} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HB2 )) ASSI { 97} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 3.300 1.400 1.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 4.235 ppm2 7.919 CV 1 OR { 97} (( segid " " and resid 73 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 136} ( segid " " and resid 30 and name HE% ) ( segid " " and resid 10 and name HD2%) 3.200 1.300 1.300 peak 136 spectrum 1 weight 0.10000E+01 volume 0.15065E-02 ppm1 7.227 ppm2 1.084 CV 1 OR { 136} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 31 and name HB2 )) ASSI { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) 3.200 1.300 1.300 peak 137 spectrum 1 weight 0.10000E+01 volume 0.22303E-02 ppm1 7.020 ppm2 1.080 CV 1 OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG2%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 74 and name HD2%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 74 and name HD2%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG1%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 68 and name HG1%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 74 and name HD1%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 48 and name HG2%) OR { 137} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 48 and name HG2%) ASSI { 139} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 71 and name HA )) 3.100 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 6.915 ppm2 4.244 CV 1 OR { 139} (( segid " " and resid 35 and name HZ )) (( segid " " and resid 74 and name HA )) ASSI { 143} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) 2.900 1.100 1.100 peak 143 spectrum 1 weight 0.10000E+01 volume 0.17792E-02 ppm1 6.759 ppm2 4.350 CV 1 OR { 143} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HA )) OR { 143} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 44 and name HA )) OR { 143} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 44 and name HA )) ASSI { 146} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 146 spectrum 1 weight 0.10000E+01 volume 0.41830E-02 ppm1 0.522 ppm2 1.647 CV 1 OR { 146} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 158} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG12)) 2.000 0.500 0.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.10275E-01 ppm1 0.879 ppm2 1.160 CV 1 OR { 158} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 42 and name H6A )) ASSI { 160} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HG11)) 2.100 0.500 0.500 peak 160 spectrum 1 weight 0.10000E+01 volume 0.98479E-02 ppm1 0.880 ppm2 1.592 CV 1 OR { 160} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 49 and name HB% ) ASSI { 161} ( segid " " and resid 60 and name HD1%) ( segid " " and resid 65 and name HB% ) 3.100 1.200 1.200 peak 161 spectrum 1 weight 0.10000E+01 volume 0.69483E-03 ppm1 0.878 ppm2 1.456 CV 1 OR { 161} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 5 and name HB2 )) ASSI { 163} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HG )) 4.100 2.100 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.56392E-03 ppm1 0.876 ppm2 2.078 CV 1 OR { 163} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 58 and name HB )) ASSI { 164} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 60 and name HB )) 2.600 0.900 0.900 peak 164 spectrum 1 weight 0.10000E+01 volume 0.41945E-02 ppm1 0.879 ppm2 1.927 CV 1 OR { 164} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 172} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 50 and name HA )) 3.400 1.400 1.400 peak 172 spectrum 1 weight 0.10000E+01 volume 0.37739E-03 ppm1 0.881 ppm2 4.325 CV 1 OR { 172} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HA )) OR { 172} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 54 and name HA )) OR { 172} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 4 and name HA )) ASSI { 173} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 52 and name HA )) 3.900 1.900 1.900 peak 173 spectrum 1 weight 0.10000E+01 volume 0.46455E-03 ppm1 0.883 ppm2 4.277 CV 1 OR { 173} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 46 and name HA )) OR { 173} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 74 and name HA )) OR { 173} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 77 and name HA )) ASSI { 174} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 53 and name HA )) 3.400 1.500 1.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.39338E-03 ppm1 0.876 ppm2 4.216 CV 1 OR { 174} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 51 and name HA )) OR { 174} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 175} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 61 and name HD1 )) 3.500 3.500 2.500 peak 175 spectrum 1 weight 0.10000E+01 volume 0.43553E-03 ppm1 0.882 ppm2 4.030 CV 1 OR { 175} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 66 and name HA2 )) OR { 175} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 80 and name HA1 )) OR { 175} ( segid " " and resid 60 and name HD1%) (( segid " " and resid 80 and name HA2 )) ASSI { 186} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 60 and name HG2%) 2.100 2.100 3.900 peak 186 spectrum 1 weight 0.10000E+01 volume 0.66315E-02 ppm1 0.803 ppm2 1.004 CV 1 OR { 186} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 52 and name HD2%) OR { 186} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HG )) OR { 186} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 77 and name HD2%) ASSI { 190} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HB2 )) 2.700 2.700 3.300 peak 190 spectrum 1 weight 0.10000E+01 volume 0.12445E-02 ppm1 0.803 ppm2 1.629 CV 1 OR { 190} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 13 and name HB% ) OR { 190} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 81 and name HB% ) OR { 190} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 4 and name HB1 )) OR { 190} ( segid " " and resid 78 and name HD1%) ( segid " " and resid 50 and name HB% ) ASSI { 192} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HG12)) 2.100 0.600 0.600 peak 192 spectrum 1 weight 0.10000E+01 volume 0.80326E-02 ppm1 0.938 ppm2 1.468 CV 1 OR { 192} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG2 )) ASSI { 200} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HG1 )) 2.700 0.900 0.900 peak 200 spectrum 1 weight 0.10000E+01 volume 0.23559E-02 ppm1 0.938 ppm2 2.217 CV 1 OR { 200} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HB1 )) ASSI { 202} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB1 )) 3.400 1.500 1.500 peak 202 spectrum 1 weight 0.10000E+01 volume 0.77775E-03 ppm1 0.941 ppm2 3.361 CV 1 OR { 202} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 31 and name HA )) ASSI { 203} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HB2 )) 3.100 1.200 1.200 peak 203 spectrum 1 weight 0.10000E+01 volume 0.15420E-02 ppm1 0.939 ppm2 3.077 CV 1 OR { 203} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HD2 )) ASSI { 205} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 75 and name HA )) 2.900 1.100 1.100 peak 205 spectrum 1 weight 0.10000E+01 volume 0.17852E-02 ppm1 0.803 ppm2 3.912 CV 1 OR { 205} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 49 and name HA )) ASSI { 207} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 207 spectrum 1 weight 0.10000E+01 volume 0.40653E-02 ppm1 0.939 ppm2 4.375 CV 1 OR { 207} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HA )) ASSI { 208} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 71 and name HA )) 4.600 2.700 1.400 peak 208 spectrum 1 weight 0.10000E+01 volume 0.43993E-03 ppm1 0.943 ppm2 4.231 CV 1 OR { 208} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HA1 )) ASSI { 210} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 60 and name HA )) 3.400 1.500 1.500 peak 210 spectrum 1 weight 0.10000E+01 volume 0.32703E-03 ppm1 0.806 ppm2 4.499 CV 1 OR { 210} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 76 and name HA )) ASSI { 211} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 53 and name HA )) 3.000 1.100 1.100 peak 211 spectrum 1 weight 0.10000E+01 volume 0.73984E-03 ppm1 0.804 ppm2 4.233 CV 1 OR { 211} ( segid " " and resid 78 and name HD1%) (( segid " " and resid 74 and name HA )) ASSI { 212} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 30 and name HA )) 4.200 2.200 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.70239E-03 ppm1 0.940 ppm2 4.684 CV 1 OR { 212} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 34 and name HA )) OR { 212} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HA )) ASSI { 213} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 40 and name HD% ) 3.400 1.400 1.400 peak 213 spectrum 1 weight 0.10000E+01 volume 0.21620E-02 ppm1 0.938 ppm2 7.007 CV 1 OR { 213} ( segid " " and resid 38 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 218} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 40 and name HN )) 5.000 3.100 1.000 peak 218 spectrum 1 weight 0.10000E+01 volume 0.51206E-03 ppm1 0.941 ppm2 7.875 CV 1 OR { 218} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 39 and name HN )) ASSI { 219} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 38 and name HN )) 4.500 2.500 1.500 peak 219 spectrum 1 weight 0.10000E+01 volume 0.12471E-02 ppm1 0.937 ppm2 7.695 CV 1 OR { 219} ( segid " " and resid 38 and name HD1%) (( segid " " and resid 37 and name HN )) ASSI { 226} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.300 1.300 1.300 peak 226 spectrum 1 weight 0.10000E+01 volume 0.33011E-02 ppm1 0.979 ppm2 1.588 CV 1 OR { 226} ( segid " " and resid 60 and name HG2%) ( segid " " and resid 49 and name HB% ) ASSI { 228} ( segid " " and resid 78 and name HG2%) ( segid " " and resid 81 and name HB% ) 3.400 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.15234E-02 ppm1 0.908 ppm2 1.627 CV 1 OR { 228} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 60 and name HG11)) ASSI { 229} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HB1 )) 3.200 1.300 1.300 peak 229 spectrum 1 weight 0.10000E+01 volume 0.17459E-02 ppm1 0.907 ppm2 1.566 CV 1 OR { 229} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 82 and name HB2 )) OR { 229} ( segid " " and resid 78 and name HG2%) (( segid " " and resid 5 and name HG )) ASSI { 236} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HB )) 3.400 1.500 1.500 peak 236 spectrum 1 weight 0.10000E+01 volume 0.16217E-02 ppm1 0.979 ppm2 2.273 CV 1 OR { 236} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 52 and name HB1 )) ASSI { 241} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 49 and name HA )) 5.000 3.100 1.000 peak 241 spectrum 1 weight 0.10000E+01 volume 0.41776E-03 ppm1 0.979 ppm2 3.930 CV 1 OR { 241} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 64 and name HA )) ASSI { 252} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 74 and name HD2%) 3.600 1.700 1.700 peak 252 spectrum 1 weight 0.10000E+01 volume 0.18145E-02 ppm1 1.580 ppm2 1.063 CV 1 OR { 252} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 74 and name HD1%) OR { 252} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 68 and name HG2%) ASSI { 253} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HG2%) 3.300 1.300 1.300 peak 253 spectrum 1 weight 0.10000E+01 volume 0.32527E-02 ppm1 1.579 ppm2 0.987 CV 1 OR { 253} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 58 and name HG2%) ASSI { 254} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 60 and name HD1%) 2.600 0.900 0.900 peak 254 spectrum 1 weight 0.10000E+01 volume 0.40570E-02 ppm1 1.580 ppm2 0.866 CV 1 OR { 254} ( segid " " and resid 49 and name HB% ) ( segid " " and resid 42 and name H8% ) ASSI { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H6A )) 3.100 1.200 1.200 peak 257 spectrum 1 weight 0.10000E+01 volume 0.30634E-02 ppm1 1.578 ppm2 1.166 CV 1 OR { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5B )) OR { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H5A )) OR { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H6B )) OR { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 42 and name H4A )) OR { 257} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 60 and name HG12)) ASSI { 261} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 51 and name HB1 )) 4.100 2.100 1.900 peak 261 spectrum 1 weight 0.10000E+01 volume 0.65209E-03 ppm1 1.579 ppm2 2.214 CV 1 OR { 261} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HB2 )) ASSI { 263} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HG2 )) 3.600 1.600 1.600 peak 263 spectrum 1 weight 0.10000E+01 volume 0.88505E-03 ppm1 1.579 ppm2 2.347 CV 1 OR { 263} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 53 and name HB2 )) OR { 263} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 46 and name HB2 )) OR { 263} ( segid " " and resid 49 and name HB% ) (( segid " " and resid 47 and name HB1 )) ASSI { 269} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 269 spectrum 1 weight 0.10000E+01 volume 0.59154E-02 ppm1 1.058 ppm2 4.389 CV 1 OR { 269} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 35 and name HA )) ASSI { 273} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 48 and name HG2%) 2.700 0.900 0.900 peak 273 spectrum 1 weight 0.10000E+01 volume 0.31552E-02 ppm1 1.624 ppm2 1.097 CV 1 OR { 273} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 10 and name HD2%) OR { 273} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 15 and name HG2%) ASSI { 276} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 60 and name HG2%) 2.700 0.900 0.900 peak 276 spectrum 1 weight 0.10000E+01 volume 0.30020E-02 ppm1 1.460 ppm2 1.001 CV 1 OR { 276} ( segid " " and resid 65 and name HB% ) ( segid " " and resid 64 and name HG1%) ASSI { 290} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 41 and name HB2 )) 2.800 1.000 1.000 peak 290 spectrum 1 weight 0.10000E+01 volume 0.34985E-02 ppm1 1.603 ppm2 2.895 CV 1 OR { 290} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 40 and name HB1 )) ASSI { 293} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB1 )) 3.700 1.700 1.700 peak 293 spectrum 1 weight 0.10000E+01 volume 0.12633E-02 ppm1 1.621 ppm2 2.220 CV 1 OR { 293} ( segid " " and resid 44 and name HB% ) (( segid " " and resid 47 and name HB2 )) OR { 293} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 10 and name HB1 )) OR { 293} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 52 and name HB1 )) ASSI { 295} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HB2 )) 3.100 1.200 1.200 peak 295 spectrum 1 weight 0.10000E+01 volume 0.16276E-02 ppm1 1.624 ppm2 1.997 CV 1 OR { 295} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 51 and name HG1 )) OR { 295} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 82 and name HB1 )) ASSI { 303} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA1 )) 3.700 1.700 1.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.15610E-02 ppm1 1.620 ppm2 4.030 CV 1 OR { 303} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 12 and name HA )) OR { 303} ( segid " " and resid 81 and name HB% ) (( segid " " and resid 80 and name HA2 )) OR { 303} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 17 and name HB2 )) ASSI { 304} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 48 and name HA )) 4.100 2.100 1.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.65522E-03 ppm1 1.633 ppm2 3.927 CV 1 OR { 304} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 49 and name HA )) OR { 304} ( segid " " and resid 13 and name HB% ) (( segid " " and resid 15 and name HA )) ASSI { 313} ( segid " " and resid 44 and name HB% ) ( segid " " and resid 40 and name HE% ) 3.700 1.700 1.700 peak 313 spectrum 1 weight 0.10000E+01 volume 0.74817E-03 ppm1 1.606 ppm2 6.763 CV 1 OR { 313} ( segid " " and resid 13 and name HB% ) ( segid " " and resid 40 and name HE% ) ASSI { 326} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 39 and name HN )) 4.100 2.100 1.900 peak 326 spectrum 1 weight 0.10000E+01 volume 0.11967E-02 ppm1 1.057 ppm2 7.873 CV 1 OR { 326} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 40 and name HN )) ASSI { 327} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 327 spectrum 1 weight 0.10000E+01 volume 0.24296E-02 ppm1 1.058 ppm2 7.691 CV 1 OR { 327} ( segid " " and resid 38 and name HG2%) (( segid " " and resid 37 and name HN )) ASSI { 336} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 49 and name HN )) 4.300 2.300 1.700 peak 336 spectrum 1 weight 0.10000E+01 volume 0.88351E-03 ppm1 1.656 ppm2 8.534 CV 1 OR { 336} ( segid " " and resid 50 and name HB% ) (( segid " " and resid 52 and name HN )) ASSI { 356} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 45 and name HD2%) 3.600 1.600 1.600 peak 356 spectrum 1 weight 0.10000E+01 volume 0.93803E-03 ppm1 1.079 ppm2 0.578 CV 1 OR { 356} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 5 and name HD1%) OR { 356} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 5 and name HD2%) ASSI { 359} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD2%) 2.700 0.900 0.900 peak 359 spectrum 1 weight 0.10000E+01 volume 0.42284E-02 ppm1 1.644 ppm2 0.982 CV 1 OR { 359} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 82 and name HD2%) OR { 359} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 82 and name HD1%) ASSI { 360} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 4 and name HD1%) 4.000 2.000 2.000 peak 360 spectrum 1 weight 0.10000E+01 volume 0.72667E-03 ppm1 1.646 ppm2 0.897 CV 1 OR { 360} ( segid " " and resid 2 and name HB% ) ( segid " " and resid 58 and name HG1%) ASSI { 362} ( segid " " and resid 58 and name HG1%) ( segid " " and resid 81 and name HB% ) 3.000 1.100 1.100 peak 362 spectrum 1 weight 0.10000E+01 volume 0.38595E-02 ppm1 0.912 ppm2 1.623 CV 1 OR { 362} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 60 and name HG11)) OR { 362} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 4 and name HB1 )) ASSI { 375} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 78 and name HA )) 4.200 2.200 1.800 peak 375 spectrum 1 weight 0.10000E+01 volume 0.90450E-03 ppm1 0.912 ppm2 3.766 CV 1 OR { 375} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HB2 )) ASSI { 378} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HA )) 3.500 1.500 1.500 peak 378 spectrum 1 weight 0.10000E+01 volume 0.23356E-02 ppm1 1.083 ppm2 4.247 CV 1 OR { 378} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HA )) OR { 378} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 71 and name HA )) OR { 378} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 73 and name HA )) ASSI { 417} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 67 and name HN )) 3.700 1.700 1.700 peak 417 spectrum 1 weight 0.10000E+01 volume 0.15877E-02 ppm1 1.084 ppm2 7.917 CV 1 OR { 417} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HN )) ASSI { 419} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 57 and name HN )) 4.100 2.100 1.900 peak 419 spectrum 1 weight 0.10000E+01 volume 0.61829E-03 ppm1 0.913 ppm2 7.983 CV 1 OR { 419} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 83 and name HN )) ASSI { 422} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 15 and name HN )) 4.500 2.600 1.500 peak 422 spectrum 1 weight 0.10000E+01 volume 0.34920E-03 ppm1 1.503 ppm2 8.452 CV 1 OR { 422} ( segid " " and resid 18 and name HB% ) (( segid " " and resid 47 and name HN )) ASSI { 426} ( segid " " and resid 68 and name HG2%) ( segid " " and resid 35 and name HE% ) 3.000 1.200 1.200 peak 426 spectrum 1 weight 0.10000E+01 volume 0.21736E-02 ppm1 1.083 ppm2 7.018 CV 1 OR { 426} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 35 and name HE% ) ASSI { 427} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 35 and name HZ )) 3.800 1.800 1.800 peak 427 spectrum 1 weight 0.10000E+01 volume 0.72112E-03 ppm1 1.081 ppm2 6.910 CV 1 OR { 427} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 35 and name HZ )) ASSI { 435} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HB2 )) 3.200 1.200 1.200 peak 435 spectrum 1 weight 0.10000E+01 volume 0.98705E-03 ppm1 1.080 ppm2 2.005 CV 1 OR { 435} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HB1 )) OR { 435} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 77 and name HB2 )) ASSI { 436} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 51 and name HG2 )) 3.500 1.500 1.500 peak 436 spectrum 1 weight 0.10000E+01 volume 0.15482E-02 ppm1 1.082 ppm2 1.694 CV 1 OR { 436} ( segid " " and resid 68 and name HG2%) (( segid " " and resid 74 and name HB2 )) ASSI { 437} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 56 and name HA )) 5.000 3.200 1.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.35787E-03 ppm1 0.910 ppm2 4.782 CV 1 OR { 437} ( segid " " and resid 58 and name HG1%) (( segid " " and resid 59 and name HA )) ASSI { 439} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 3.700 1.800 1.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.10925E-02 ppm1 1.222 ppm2 8.489 CV 1 OR { 439} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 23 and name HN )) OR { 439} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 26 and name HN )) ASSI { 440} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HN )) 3.600 1.600 1.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.17238E-02 ppm1 1.093 ppm2 8.285 CV 1 OR { 440} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HN )) ASSI { 441} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 52 and name HN )) 3.300 1.400 1.400 peak 441 spectrum 1 weight 0.10000E+01 volume 0.17845E-02 ppm1 1.092 ppm2 8.541 CV 1 OR { 441} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HN )) ASSI { 442} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 16 and name HN )) 3.500 1.500 1.500 peak 442 spectrum 1 weight 0.10000E+01 volume 0.16462E-02 ppm1 1.034 ppm2 8.264 CV 1 OR { 442} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HN )) OR { 442} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 65 and name HN )) ASSI { 444} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 15 and name HN )) 3.600 1.600 1.600 peak 444 spectrum 1 weight 0.10000E+01 volume 0.34793E-02 ppm1 1.033 ppm2 8.433 CV 1 OR { 444} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 63 and name HN )) ASSI { 458} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 48 and name HA )) 2.500 0.800 0.800 peak 458 spectrum 1 weight 0.10000E+01 volume 0.37435E-02 ppm1 1.091 ppm2 3.946 CV 1 OR { 458} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 49 and name HA )) ASSI { 460} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 14 and name HA )) 2.500 0.800 0.800 peak 460 spectrum 1 weight 0.10000E+01 volume 0.46072E-02 ppm1 1.092 ppm2 4.339 CV 1 OR { 460} ( segid " " and resid 48 and name HG2%) (( segid " " and resid 13 and name HA )) ASSI { 472} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HG11)) 3.200 1.300 1.300 peak 472 spectrum 1 weight 0.10000E+01 volume 0.11449E-02 ppm1 0.970 ppm2 1.591 CV 1 OR { 472} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 49 and name HB% ) ASSI { 476} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 14 and name HD2%) 2.500 0.800 0.800 peak 476 spectrum 1 weight 0.10000E+01 volume 0.52220E-02 ppm1 1.090 ppm2 0.831 CV 1 OR { 476} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 52 and name HD1%) OR { 476} ( segid " " and resid 48 and name HG2%) ( segid " " and resid 42 and name H8% ) ASSI { 484} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 22 and name HN )) 4.000 2.000 2.000 peak 484 spectrum 1 weight 0.10000E+01 volume 0.76273E-03 ppm1 1.220 ppm2 8.455 CV 1 OR { 484} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 26 and name HN )) ASSI { 485} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 19 and name HN )) 3.500 3.500 2.500 peak 485 spectrum 1 weight 0.10000E+01 volume 0.53517E-03 ppm1 1.224 ppm2 8.283 CV 1 OR { 485} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 19 and name HN )) OR { 485} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 41 and name HN )) OR { 485} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 14 and name HN )) OR { 485} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 48 and name HN )) ASSI { 488} ( segid " " and resid 70 and name HG2%) (( segid " " and resid 35 and name HN )) 4.400 2.400 1.600 peak 488 spectrum 1 weight 0.10000E+01 volume 0.89534E-03 ppm1 1.014 ppm2 8.192 CV 1 OR { 488} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 66 and name HN )) ASSI { 494} ( segid " " and resid 21 and name HG2%) (( segid " " and resid 21 and name HB )) 2.200 0.600 0.600 peak 494 spectrum 1 weight 0.10000E+01 volume 0.13026E-01 ppm1 1.221 ppm2 4.341 CV 1 OR { 494} ( segid " " and resid 24 and name HG2%) (( segid " " and resid 24 and name HA )) ASSI { 497} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 78 and name HA )) 4.200 2.200 1.800 peak 497 spectrum 1 weight 0.10000E+01 volume 0.87368E-03 ppm1 0.965 ppm2 3.769 CV 1 OR { 497} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HB2 )) ASSI { 501} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 19 and name HA2 )) 3.300 1.400 1.400 peak 501 spectrum 1 weight 0.10000E+01 volume 0.21245E-02 ppm1 1.031 ppm2 4.047 CV 1 OR { 501} ( segid " " and resid 15 and name HG1%) (( segid " " and resid 12 and name HA )) ASSI { 505} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 31 and name HD2%) 2.500 0.800 0.800 peak 505 spectrum 1 weight 0.10000E+01 volume 0.61382E-02 ppm1 1.363 ppm2 0.815 CV 1 OR { 505} ( segid " " and resid 7 and name HG2%) ( segid " " and resid 75 and name HD1%) ASSI { 509} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 68 and name HG2%) 2.900 1.100 1.100 peak 509 spectrum 1 weight 0.10000E+01 volume 0.30172E-02 ppm1 0.394 ppm2 1.066 CV 1 OR { 509} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD2%) OR { 509} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 68 and name HG1%) OR { 509} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 74 and name HD1%) ASSI { 515} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.35558E-02 ppm1 1.119 ppm2 1.467 CV 1 OR { 515} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 26 and name HB1 )) ASSI { 518} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HB1 )) 3.000 1.100 1.100 peak 518 spectrum 1 weight 0.10000E+01 volume 0.25562E-02 ppm1 1.068 ppm2 1.996 CV 1 OR { 518} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB2 )) OR { 518} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 77 and name HB2 )) OR { 518} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 77 and name HB1 )) OR { 518} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 77 and name HB1 )) ASSI { 520} ( segid " " and resid 74 and name HD1%) (( segid " " and resid 74 and name HB1 )) 2.600 0.800 0.800 peak 520 spectrum 1 weight 0.10000E+01 volume 0.40150E-02 ppm1 1.074 ppm2 2.438 CV 1 OR { 520} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HB1 )) OR { 520} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 74 and name HB1 )) ASSI { 521} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 68 and name HB )) 2.200 0.600 0.600 peak 521 spectrum 1 weight 0.10000E+01 volume 0.90367E-02 ppm1 1.082 ppm2 2.320 CV 1 OR { 521} ( segid " " and resid 74 and name HD2%) (( segid " " and resid 68 and name HB )) OR { 521} ( segid " " and resid 68 and name HG1%) (( segid " " and resid 73 and name HB2 )) ASSI { 524} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 524 spectrum 1 weight 0.10000E+01 volume 0.87230E-03 ppm1 0.395 ppm2 4.369 CV 1 OR { 524} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 44 and name HA )) OR { 524} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 13 and name HA )) ASSI { 525} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 42 and name HA )) 4.200 2.200 1.800 peak 525 spectrum 1 weight 0.10000E+01 volume 0.77060E-03 ppm1 0.395 ppm2 4.213 CV 1 OR { 525} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 71 and name HA )) ASSI { 536} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HB2 )) 4.700 2.800 1.300 peak 536 spectrum 1 weight 0.10000E+01 volume 0.42867E-03 ppm1 0.396 ppm2 2.328 CV 1 OR { 536} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 68 and name HB )) OR { 536} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HB1 )) OR { 536} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 47 and name HB1 )) ASSI { 539} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 11 and name HB1 )) 4.000 2.000 2.000 peak 539 spectrum 1 weight 0.10000E+01 volume 0.10056E-02 ppm1 1.121 ppm2 2.035 CV 1 OR { 539} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HB1 )) OR { 539} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HB2 )) ASSI { 552} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.500 1.500 1.500 peak 552 spectrum 1 weight 0.10000E+01 volume 0.18031E-02 ppm1 1.083 ppm2 7.018 CV 1 OR { 552} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HE% ) OR { 552} ( segid " " and resid 74 and name HD1%) ( segid " " and resid 35 and name HE% ) ASSI { 556} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 35 and name HE% ) 3.000 1.200 1.200 peak 556 spectrum 1 weight 0.10000E+01 volume 0.16004E-02 ppm1 0.395 ppm2 7.014 CV 1 OR { 556} ( segid " " and resid 45 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 562} ( segid " " and resid 74 and name HD2%) ( segid " " and resid 35 and name HD% ) 3.700 1.700 1.700 peak 562 spectrum 1 weight 0.10000E+01 volume 0.52992E-03 ppm1 1.080 ppm2 7.258 CV 1 OR { 562} ( segid " " and resid 68 and name HG1%) ( segid " " and resid 35 and name HD% ) ASSI { 566} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 46 and name HN )) 4.200 2.200 1.800 peak 566 spectrum 1 weight 0.10000E+01 volume 0.83716E-03 ppm1 0.394 ppm2 8.269 CV 1 OR { 566} ( segid " " and resid 45 and name HD1%) (( segid " " and resid 48 and name HN )) ASSI { 573} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 573 spectrum 1 weight 0.10000E+01 volume 0.19818E-02 ppm1 1.119 ppm2 8.262 CV 1 OR { 573} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 14 and name HN )) ASSI { 574} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 12 and name HN )) 3.400 1.500 1.500 peak 574 spectrum 1 weight 0.10000E+01 volume 0.35977E-03 ppm1 1.119 ppm2 8.079 CV 1 OR { 574} ( segid " " and resid 15 and name HG2%) (( segid " " and resid 24 and name HN )) ASSI { 582} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 11 and name HN )) 4.100 2.100 1.900 peak 582 spectrum 1 weight 0.10000E+01 volume 0.73249E-03 ppm1 1.038 ppm2 8.762 CV 1 OR { 582} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 586} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 14 and name HN )) 4.000 2.000 2.000 peak 586 spectrum 1 weight 0.10000E+01 volume 0.14459E-02 ppm1 0.723 ppm2 8.288 CV 1 OR { 586} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HN )) ASSI { 603} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 35 and name HE% ) 2.600 0.900 0.900 peak 603 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 0.725 ppm2 7.011 CV 1 OR { 603} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 40 and name HD% ) ASSI { 608} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 30 and name HE% ) 4.400 2.400 1.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.43259E-03 ppm1 1.034 ppm2 7.226 CV 1 OR { 608} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 35 and name HD% ) ASSI { 612} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HA )) 2.600 0.800 0.800 peak 612 spectrum 1 weight 0.10000E+01 volume 0.77492E-02 ppm1 0.668 ppm2 4.388 CV 1 OR { 612} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 38 and name HA )) ASSI { 615} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HA )) 4.000 2.000 2.000 peak 615 spectrum 1 weight 0.10000E+01 volume 0.74648E-03 ppm1 0.725 ppm2 3.972 CV 1 OR { 615} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 48 and name HA )) ASSI { 622} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HA )) 1.900 0.500 0.500 peak 622 spectrum 1 weight 0.10000E+01 volume 0.14419E-01 ppm1 0.980 ppm2 4.283 CV 1 OR { 622} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 82 and name HA )) ASSI { 627} ( segid " " and resid 82 and name HD1%) (( segid " " and resid 56 and name HB1 )) 3.200 1.300 1.300 peak 627 spectrum 1 weight 0.10000E+01 volume 0.12127E-02 ppm1 0.984 ppm2 3.440 CV 1 OR { 627} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 56 and name HB1 )) ASSI { 637} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB1 )) 2.900 1.100 1.100 peak 637 spectrum 1 weight 0.10000E+01 volume 0.14880E-02 ppm1 0.973 ppm2 2.226 CV 1 OR { 637} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 51 and name HB1 )) ASSI { 643} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 13 and name HB% ) 4.000 2.000 2.000 peak 643 spectrum 1 weight 0.10000E+01 volume 0.12565E-02 ppm1 0.724 ppm2 1.625 CV 1 OR { 643} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 45 and name HG )) ASSI { 646} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 72 and name HB1 )) 4.300 2.300 1.700 peak 646 spectrum 1 weight 0.10000E+01 volume 0.12364E-02 ppm1 0.521 ppm2 1.880 CV 1 OR { 646} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 648} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 10 and name HB2 )) 2.300 0.700 0.700 peak 648 spectrum 1 weight 0.10000E+01 volume 0.70327E-02 ppm1 1.038 ppm2 1.649 CV 1 OR { 648} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 13 and name HB% ) OR { 648} ( segid " " and resid 10 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 652} ( segid " " and resid 4 and name HD1%) (( segid " " and resid 4 and name HB1 )) 2.600 0.800 0.800 peak 652 spectrum 1 weight 0.10000E+01 volume 0.49116E-02 ppm1 0.896 ppm2 1.597 CV 1 OR { 652} ( segid " " and resid 4 and name HD1%) ( segid " " and resid 83 and name HB% ) ASSI { 654} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 52 and name HB2 )) 3.300 1.400 1.400 peak 654 spectrum 1 weight 0.10000E+01 volume 0.26667E-02 ppm1 0.973 ppm2 1.429 CV 1 OR { 654} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 55 and name HB2 )) OR { 654} ( segid " " and resid 52 and name HD2%) (( segid " " and resid 5 and name HB2 )) ASSI { 658} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 26 and name HB1 )) 3.400 1.400 1.400 peak 658 spectrum 1 weight 0.10000E+01 volume 0.34887E-02 ppm1 0.668 ppm2 1.480 CV 1 OR { 658} ( segid " " and resid 26 and name HD1%) (( segid " " and resid 14 and name HB2 )) ASSI { 662} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 15 and name HG1%) 2.700 2.700 3.300 peak 662 spectrum 1 weight 0.10000E+01 volume 0.22593E-02 ppm1 0.667 ppm2 1.031 CV 1 OR { 662} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 33 and name HD2%) OR { 662} ( segid " " and resid 26 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 664} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 42 and name H7B )) 4.100 2.100 1.900 peak 664 spectrum 1 weight 0.10000E+01 volume 0.66027E-03 ppm1 0.725 ppm2 1.225 CV 1 OR { 664} ( segid " " and resid 14 and name HD1%) (( segid " " and resid 42 and name H7A )) OR { 664} ( segid " " and resid 14 and name HD1%) ( segid " " and resid 24 and name HG2%) ASSI { 678} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 14 and name HD2%) 2.200 0.600 0.600 peak 678 spectrum 1 weight 0.10000E+01 volume 0.91885E-02 ppm1 1.039 ppm2 0.836 CV 1 OR { 678} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 52 and name HD1%) OR { 678} ( segid " " and resid 10 and name HD1%) ( segid " " and resid 75 and name HD1%) ASSI { 679} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 10 and name HD2%) 2.800 1.000 1.000 peak 679 spectrum 1 weight 0.10000E+01 volume 0.33014E-02 ppm1 0.806 ppm2 1.073 CV 1 OR { 679} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB2 )) OR { 679} ( segid " " and resid 75 and name HD1%) ( segid " " and resid 10 and name HD2%) ASSI { 685} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HG2%) 2.900 1.000 1.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.43071E-02 ppm1 0.551 ppm2 0.911 CV 1 OR { 685} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 60 and name HD1%) OR { 685} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 58 and name HG1%) ASSI { 686} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 52 and name HD1%) 2.400 0.700 0.700 peak 686 spectrum 1 weight 0.10000E+01 volume 0.56917E-02 ppm1 0.549 ppm2 0.815 CV 1 OR { 686} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 78 and name HD1%) OR { 686} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 75 and name HD1%) ASSI { 687} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 74 and name HD2%) 2.900 1.000 1.000 peak 687 spectrum 1 weight 0.10000E+01 volume 0.29919E-02 ppm1 0.573 ppm2 1.065 CV 1 OR { 687} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 68 and name HG2%) OR { 687} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 68 and name HG1%) ASSI { 690} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HB2 )) 3.400 1.500 1.500 peak 690 spectrum 1 weight 0.10000E+01 volume 0.19543E-02 ppm1 0.562 ppm2 1.641 CV 1 OR { 690} ( segid " " and resid 5 and name HD1%) ( segid " " and resid 13 and name HB% ) OR { 690} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 75 and name HB2 )) ASSI { 697} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.200 0.600 0.600 peak 697 spectrum 1 weight 0.10000E+01 volume 0.81726E-02 ppm1 0.806 ppm2 1.652 CV 1 OR { 697} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB2 )) OR { 697} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 697} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB2 )) ASSI { 698} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB1 )) 2.900 1.000 1.000 peak 698 spectrum 1 weight 0.10000E+01 volume 0.34729E-02 ppm1 0.805 ppm2 1.542 CV 1 OR { 698} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HG2 )) OR { 698} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HG )) ASSI { 699} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HG2 )) 3.300 1.300 1.300 peak 699 spectrum 1 weight 0.10000E+01 volume 0.32564E-02 ppm1 0.804 ppm2 1.472 CV 1 OR { 699} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 5 and name HB2 )) ASSI { 701} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 4 and name HB1 )) 2.500 0.800 0.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.47290E-02 ppm1 0.964 ppm2 1.626 CV 1 OR { 701} ( segid " " and resid 4 and name HD2%) ( segid " " and resid 2 and name HB% ) ASSI { 706} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HG1 )) 4.000 2.000 2.000 peak 706 spectrum 1 weight 0.10000E+01 volume 0.98325E-03 ppm1 0.804 ppm2 2.204 CV 1 OR { 706} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 10 and name HB1 )) ASSI { 707} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 707 spectrum 1 weight 0.10000E+01 volume 0.19602E-02 ppm1 0.804 ppm2 2.043 CV 1 OR { 707} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HB1 )) ASSI { 710} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 78 and name HB )) 3.300 1.400 1.400 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13240E-02 ppm1 0.551 ppm2 1.903 CV 1 OR { 710} ( segid " " and resid 5 and name HD1%) (( segid " " and resid 10 and name HG )) ASSI { 711} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 10 and name HG )) 4.400 2.500 1.600 peak 711 spectrum 1 weight 0.10000E+01 volume 0.62966E-03 ppm1 0.599 ppm2 1.889 CV 1 OR { 711} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 78 and name HB )) ASSI { 712} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HB1 )) 3.600 1.600 1.600 peak 712 spectrum 1 weight 0.10000E+01 volume 0.11550E-02 ppm1 0.807 ppm2 1.896 CV 1 OR { 712} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 10 and name HG )) OR { 712} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 728} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 14 and name HA )) 4.000 2.000 2.000 peak 728 spectrum 1 weight 0.10000E+01 volume 0.82801E-03 ppm1 0.589 ppm2 4.349 CV 1 OR { 728} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 4 and name HA )) OR { 728} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 44 and name HA )) OR { 728} ( segid " " and resid 45 and name HD2%) (( segid " " and resid 42 and name HB2 )) OR { 728} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 13 and name HA )) OR { 728} ( segid " " and resid 5 and name HD2%) (( segid " " and resid 14 and name HA )) ASSI { 732} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.700 1.700 1.700 peak 732 spectrum 1 weight 0.10000E+01 volume 0.78089E-03 ppm1 0.577 ppm2 7.011 CV 1 OR { 732} ( segid " " and resid 45 and name HD2%) ( segid " " and resid 40 and name HD% ) ASSI { 746} ( segid " " and resid 75 and name HD1%) (( segid " " and resid 75 and name HN )) 4.100 2.100 1.900 peak 746 spectrum 1 weight 0.10000E+01 volume 0.87019E-03 ppm1 0.803 ppm2 8.776 CV 1 OR { 746} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 75 and name HN )) ASSI { 756} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 15 and name HN )) 4.200 2.200 1.800 peak 756 spectrum 1 weight 0.10000E+01 volume 0.68028E-03 ppm1 0.838 ppm2 8.431 CV 1 OR { 756} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 76 and name HN )) ASSI { 757} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HN )) 4.300 2.300 1.700 peak 757 spectrum 1 weight 0.10000E+01 volume 0.72940E-03 ppm1 0.842 ppm2 8.776 CV 1 OR { 757} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 11 and name HN )) OR { 757} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 764} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 30 and name HE% ) 3.300 1.400 1.400 peak 764 spectrum 1 weight 0.10000E+01 volume 0.23016E-02 ppm1 0.850 ppm2 7.234 CV 1 OR { 764} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HD% ) OR { 764} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 58 and name HN )) ASSI { 768} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 35 and name HZ )) 5.000 3.100 1.000 peak 768 spectrum 1 weight 0.10000E+01 volume 0.22798E-03 ppm1 0.855 ppm2 6.919 CV 1 OR { 768} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 35 and name HZ )) ASSI { 769} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH21)) 4.400 2.400 1.600 peak 769 spectrum 1 weight 0.10000E+01 volume 0.85136E-03 ppm1 0.813 ppm2 6.922 CV 1 OR { 769} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 35 and name HZ )) OR { 769} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH11)) OR { 769} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH22)) OR { 769} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 72 and name HH12)) ASSI { 770} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 35 and name HE% ) 3.800 1.800 1.800 peak 770 spectrum 1 weight 0.10000E+01 volume 0.10210E-02 ppm1 0.849 ppm2 7.015 CV 1 OR { 770} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 40 and name HD% ) ASSI { 776} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HA )) 4.100 2.100 1.900 peak 776 spectrum 1 weight 0.10000E+01 volume 0.15463E-02 ppm1 0.805 ppm2 4.381 CV 1 OR { 776} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 35 and name HA )) ASSI { 777} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HA )) 4.100 2.100 1.900 peak 777 spectrum 1 weight 0.10000E+01 volume 0.74457E-03 ppm1 0.847 ppm2 4.226 CV 1 OR { 777} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 53 and name HA )) OR { 777} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 71 and name HA )) OR { 777} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 51 and name HA )) OR { 777} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 51 and name HA )) ASSI { 779} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HA )) 3.500 1.600 1.600 peak 779 spectrum 1 weight 0.10000E+01 volume 0.17104E-02 ppm1 0.841 ppm2 3.887 CV 1 OR { 779} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 75 and name HA )) ASSI { 782} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HA )) 2.900 1.000 1.000 peak 782 spectrum 1 weight 0.10000E+01 volume 0.40674E-02 ppm1 1.005 ppm2 4.269 CV 1 OR { 782} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HA )) OR { 782} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 74 and name HA )) ASSI { 789} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 30 and name HB1 )) 3.900 1.900 1.900 peak 789 spectrum 1 weight 0.10000E+01 volume 0.15849E-02 ppm1 1.041 ppm2 3.353 CV 1 OR { 789} ( segid " " and resid 33 and name HD2%) (( segid " " and resid 34 and name HD2 )) ASSI { 792} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HG )) 2.600 0.900 0.900 peak 792 spectrum 1 weight 0.10000E+01 volume 0.52128E-02 ppm1 0.850 ppm2 1.919 CV 1 OR { 792} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HB1 )) OR { 792} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 78 and name HB )) ASSI { 800} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 26 and name HB1 )) 2.400 0.700 0.700 peak 800 spectrum 1 weight 0.10000E+01 volume 0.54602E-02 ppm1 0.805 ppm2 1.478 CV 1 OR { 800} ( segid " " and resid 26 and name HD2%) (( segid " " and resid 14 and name HB2 )) ASSI { 801} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.800 1.000 1.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.52694E-02 ppm1 0.840 ppm2 1.674 CV 1 OR { 801} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 10 and name HB2 )) OR { 801} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 10 and name HB2 )) OR { 801} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 74 and name HB2 )) ASSI { 802} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HB1 )) 3.800 1.800 1.800 peak 802 spectrum 1 weight 0.10000E+01 volume 0.12444E-02 ppm1 0.839 ppm2 1.536 CV 1 OR { 802} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 5 and name HG )) OR { 802} ( segid " " and resid 75 and name HD2%) (( segid " " and resid 5 and name HG )) OR { 802} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 5 and name HB1 )) ASSI { 804} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 7 and name HG2%) 2.800 1.000 1.000 peak 804 spectrum 1 weight 0.10000E+01 volume 0.19045E-02 ppm1 0.842 ppm2 1.358 CV 1 OR { 804} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 6 and name HG2%) OR { 804} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 7 and name HG2%) OR { 804} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 26 and name HB2 )) ASSI { 809} ( segid " " and resid 75 and name HD2%) ( segid " " and resid 31 and name HD1%) 2.600 0.800 0.800 peak 809 spectrum 1 weight 0.10000E+01 volume 0.27230E-02 ppm1 0.843 ppm2 0.522 CV 1 OR { 809} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 31 and name HD1%) ASSI { 811} ( segid " " and resid 26 and name HD2%) ( segid " " and resid 14 and name HD1%) 3.200 1.300 1.300 peak 811 spectrum 1 weight 0.10000E+01 volume 0.32132E-02 ppm1 0.811 ppm2 0.705 CV 1 OR { 811} ( segid " " and resid 31 and name HD2%) ( segid " " and resid 14 and name HD1%) ASSI { 812} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB1 )) 2.500 0.800 0.800 peak 812 spectrum 1 weight 0.10000E+01 volume 0.49763E-02 ppm1 0.999 ppm2 1.979 CV 1 OR { 812} ( segid " " and resid 82 and name HD2%) (( segid " " and resid 82 and name HB1 )) OR { 812} ( segid " " and resid 77 and name HD2%) (( segid " " and resid 77 and name HB2 )) ASSI { 820} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 35 and name HD% ) 3.500 1.500 1.500 peak 820 spectrum 1 weight 0.10000E+01 volume 0.11095E-02 ppm1 2.212 ppm2 7.233 CV 1 OR { 820} (( segid " " and resid 71 and name HG1 )) ( segid " " and resid 30 and name HE% ) OR { 820} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 33 and name HN )) ASSI { 822} (( segid " " and resid 33 and name HG )) (( segid " " and resid 33 and name HN )) 3.000 1.100 1.100 peak 822 spectrum 1 weight 0.10000E+01 volume 0.20251E-02 ppm1 1.770 ppm2 7.241 CV 1 OR { 822} (( segid " " and resid 14 and name HG )) ( segid " " and resid 35 and name HD% ) ASSI { 826} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HN )) 3.700 1.700 1.700 peak 826 spectrum 1 weight 0.10000E+01 volume 0.11310E-02 ppm1 1.092 ppm2 8.771 CV 1 OR { 826} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 11 and name HN )) ASSI { 837} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 837 spectrum 1 weight 0.10000E+01 volume 0.52761E-03 ppm1 1.468 ppm2 7.237 CV 1 OR { 837} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 33 and name HN )) OR { 837} (( segid " " and resid 71 and name HG2 )) ( segid " " and resid 35 and name HD% ) ASSI { 840} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 14 and name HA )) 3.000 1.200 1.200 peak 840 spectrum 1 weight 0.10000E+01 volume 0.21027E-02 ppm1 0.835 ppm2 4.309 CV 1 OR { 840} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HA )) ASSI { 843} (( segid " " and resid 74 and name HG )) (( segid " " and resid 71 and name HA )) 3.600 1.600 1.600 peak 843 spectrum 1 weight 0.10000E+01 volume 0.15812E-02 ppm1 1.013 ppm2 4.244 CV 1 OR { 843} (( segid " " and resid 74 and name HG )) (( segid " " and resid 74 and name HA )) ASSI { 852} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HD2 )) 2.700 0.900 0.900 peak 852 spectrum 1 weight 0.10000E+01 volume 0.12632E-02 ppm1 1.464 ppm2 3.076 CV 1 OR { 852} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 30 and name HB2 )) ASSI { 855} (( segid " " and resid 75 and name HG )) (( segid " " and resid 75 and name HA )) 3.400 1.500 1.500 peak 855 spectrum 1 weight 0.10000E+01 volume 0.74339E-03 ppm1 1.714 ppm2 3.909 CV 1 OR { 855} (( segid " " and resid 67 and name HG2 )) (( segid " " and resid 64 and name HA )) OR { 855} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 64 and name HA )) ASSI { 874} (( segid " " and resid 52 and name HG )) (( segid " " and resid 49 and name HA )) 3.700 1.700 1.700 peak 874 spectrum 1 weight 0.10000E+01 volume 0.71011E-03 ppm1 2.055 ppm2 3.930 CV 1 OR { 874} (( segid " " and resid 52 and name HG )) (( segid " " and resid 48 and name HA )) ASSI { 878} (( segid " " and resid 52 and name HG )) ( segid " " and resid 48 and name HG2%) 3.000 1.100 1.100 peak 878 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 2.052 ppm2 1.086 CV 1 OR { 878} (( segid " " and resid 52 and name HG )) ( segid " " and resid 74 and name HD1%) ASSI { 881} (( segid " " and resid 52 and name HG )) ( segid " " and resid 52 and name HD1%) 2.000 0.500 0.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.10863E-01 ppm1 2.053 ppm2 0.834 CV 1 OR { 881} (( segid " " and resid 52 and name HG )) ( segid " " and resid 78 and name HD1%) ASSI { 885} (( segid " " and resid 33 and name HG )) ( segid " " and resid 33 and name HD2%) 2.500 0.800 0.800 peak 885 spectrum 1 weight 0.10000E+01 volume 0.59571E-02 ppm1 1.754 ppm2 1.040 CV 1 OR { 885} (( segid " " and resid 14 and name HG )) ( segid " " and resid 10 and name HD1%) ASSI { 889} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 5 and name HD1%) 3.200 1.300 1.300 peak 889 spectrum 1 weight 0.10000E+01 volume 0.23646E-02 ppm1 1.092 ppm2 0.527 CV 1 OR { 889} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD1%) ASSI { 893} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD2%) 2.500 0.800 0.800 peak 893 spectrum 1 weight 0.10000E+01 volume 0.60816E-02 ppm1 1.092 ppm2 0.826 CV 1 OR { 893} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 31 and name HD2%) OR { 893} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 14 and name HD2%) OR { 893} ( segid " " and resid 10 and name HD2%) ( segid " " and resid 75 and name HD1%) ASSI { 902} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HB1 )) 2.900 1.000 1.000 peak 902 spectrum 1 weight 0.10000E+01 volume 0.41444E-02 ppm1 1.290 ppm2 1.649 CV 1 OR { 902} (( segid " " and resid 31 and name HG )) (( segid " " and resid 72 and name HB2 )) ASSI { 904} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB2 )) 2.200 0.600 0.600 peak 904 spectrum 1 weight 0.10000E+01 volume 0.55204E-02 ppm1 1.092 ppm2 1.658 CV 1 OR { 904} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 10 and name HB2 )) ASSI { 906} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 75 and name HB1 )) 3.900 1.900 1.900 peak 906 spectrum 1 weight 0.10000E+01 volume 0.14349E-02 ppm1 1.095 ppm2 2.035 CV 1 OR { 906} ( segid " " and resid 10 and name HD2%) (( segid " " and resid 71 and name HB2 )) ASSI { 907} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HB1 )) 2.500 0.800 0.800 peak 907 spectrum 1 weight 0.10000E+01 volume 0.48416E-02 ppm1 0.835 ppm2 2.245 CV 1 OR { 907} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 71 and name HB1 )) ASSI { 908} ( segid " " and resid 52 and name HD1%) (( segid " " and resid 52 and name HG )) 2.000 0.500 0.500 peak 908 spectrum 1 weight 0.10000E+01 volume 0.11467E-01 ppm1 0.835 ppm2 2.050 CV 1 OR { 908} ( segid " " and resid 14 and name HD2%) (( segid " " and resid 52 and name HG )) ASSI { 915} (( segid " " and resid 74 and name HG )) (( segid " " and resid 78 and name HG11)) 4.100 2.100 1.900 peak 915 spectrum 1 weight 0.10000E+01 volume 0.12826E-02 ppm1 1.007 ppm2 1.820 CV 1 OR { 915} (( segid " " and resid 74 and name HG )) (( segid " " and resid 77 and name HG )) ASSI { 917} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 74 and name HD1%) 2.400 0.700 0.700 peak 917 spectrum 1 weight 0.10000E+01 volume 0.62385E-02 ppm1 0.835 ppm2 1.088 CV 1 OR { 917} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 48 and name HG2%) OR { 917} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 48 and name HG2%) OR { 917} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 10 and name HD2%) OR { 917} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 74 and name HD2%) ASSI { 918} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 10 and name HD1%) 2.300 0.600 0.600 peak 918 spectrum 1 weight 0.10000E+01 volume 0.68120E-02 ppm1 0.836 ppm2 1.034 CV 1 OR { 918} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 10 and name HD1%) ASSI { 919} ( segid " " and resid 52 and name HD1%) ( segid " " and resid 52 and name HD2%) 2.100 0.600 0.600 peak 919 spectrum 1 weight 0.10000E+01 volume 0.12881E-01 ppm1 0.836 ppm2 0.952 CV 1 OR { 919} ( segid " " and resid 14 and name HD2%) ( segid " " and resid 52 and name HD2%) ASSI { 920} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG2%) 3.100 1.200 1.200 peak 920 spectrum 1 weight 0.10000E+01 volume 0.33230E-02 ppm1 2.097 ppm2 0.995 CV 1 OR { 920} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 64 and name HG1%) OR { 920} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG2%) OR { 920} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 60 and name HG2%) OR { 920} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 64 and name HG1%) OR { 920} (( segid " " and resid 61 and name HG1 )) ( segid " " and resid 60 and name HG2%) OR { 920} (( segid " " and resid 61 and name HG2 )) ( segid " " and resid 77 and name HD1%) ASSI { 922} (( segid " " and resid 10 and name HG )) (( segid " " and resid 10 and name HB2 )) 2.800 1.000 1.000 peak 922 spectrum 1 weight 0.10000E+01 volume 0.29313E-02 ppm1 1.903 ppm2 1.657 CV 1 OR { 922} (( segid " " and resid 10 and name HG )) (( segid " " and resid 75 and name HB2 )) ASSI { 926} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 58 and name HG2%) 3.100 1.200 1.200 peak 926 spectrum 1 weight 0.10000E+01 volume 0.27287E-02 ppm1 1.593 ppm2 0.981 CV 1 OR { 926} (( segid " " and resid 60 and name HG11)) ( segid " " and resid 60 and name HG2%) ASSI { 929} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 60 and name HG2%) 2.600 0.800 0.800 peak 929 spectrum 1 weight 0.10000E+01 volume 0.35798E-02 ppm1 1.169 ppm2 0.982 CV 1 OR { 929} (( segid " " and resid 60 and name HG12)) ( segid " " and resid 58 and name HG2%) ASSI { 941} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 26 and name HD2%) 3.500 1.500 1.500 peak 941 spectrum 1 weight 0.10000E+01 volume 0.17937E-02 ppm1 1.285 ppm2 0.814 CV 1 OR { 941} (( segid " " and resid 11 and name HG2 )) ( segid " " and resid 31 and name HD2%) ASSI { 946} (( segid " " and resid 5 and name HG )) ( segid " " and resid 52 and name HD1%) 3.900 1.900 1.900 peak 946 spectrum 1 weight 0.10000E+01 volume 0.12025E-02 ppm1 1.555 ppm2 0.825 CV 1 OR { 946} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD2%) OR { 946} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 31 and name HD2%) OR { 946} (( segid " " and resid 5 and name HG )) ( segid " " and resid 78 and name HD1%) OR { 946} (( segid " " and resid 5 and name HG )) ( segid " " and resid 75 and name HD1%) ASSI { 951} (( segid " " and resid 10 and name HG )) ( segid " " and resid 14 and name HD2%) 2.800 1.000 1.000 peak 951 spectrum 1 weight 0.10000E+01 volume 0.20466E-02 ppm1 1.904 ppm2 0.842 CV 1 OR { 951} (( segid " " and resid 10 and name HG )) ( segid " " and resid 31 and name HD2%) OR { 951} (( segid " " and resid 10 and name HG )) ( segid " " and resid 52 and name HD1%) ASSI { 957} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 61 and name HA )) 3.300 1.400 1.400 peak 957 spectrum 1 weight 0.10000E+01 volume 0.29379E-02 ppm1 2.094 ppm2 4.518 CV 1 OR { 957} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 61 and name HA )) OR { 957} (( segid " " and resid 61 and name HG1 )) (( segid " " and resid 60 and name HA )) OR { 957} (( segid " " and resid 61 and name HG2 )) (( segid " " and resid 60 and name HA )) ASSI { 960} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 960 spectrum 1 weight 0.10000E+01 volume 0.29962E-02 ppm1 1.871 ppm2 4.381 CV 1 OR { 960} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HA )) ASSI { 974} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 35 and name HA )) 2.100 0.600 0.600 peak 974 spectrum 1 weight 0.10000E+01 volume 0.30824E-02 ppm1 1.474 ppm2 4.380 CV 1 OR { 974} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HA )) ASSI { 979} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HA )) 3.300 1.400 1.400 peak 979 spectrum 1 weight 0.10000E+01 volume 0.18171E-02 ppm1 1.718 ppm2 4.355 CV 1 OR { 979} (( segid " " and resid 4 and name HG )) (( segid " " and resid 3 and name HA )) ASSI { 982} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 38 and name HN )) 3.000 1.100 1.100 peak 982 spectrum 1 weight 0.10000E+01 volume 0.18832E-02 ppm1 1.871 ppm2 7.695 CV 1 OR { 982} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 37 and name HN )) ASSI { 984} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 984 spectrum 1 weight 0.10000E+01 volume 0.16940E-02 ppm1 1.475 ppm2 7.696 CV 1 OR { 984} (( segid " " and resid 38 and name HG12)) (( segid " " and resid 37 and name HN )) ASSI { 985} (( segid " " and resid 4 and name HG )) (( segid " " and resid 4 and name HN )) 2.500 0.800 0.800 peak 985 spectrum 1 weight 0.10000E+01 volume 0.41920E-02 ppm1 1.714 ppm2 8.192 CV 1 OR { 985} (( segid " " and resid 67 and name HG1 )) (( segid " " and resid 66 and name HN )) ASSI { 999} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 40 and name HN )) 3.500 1.500 1.500 peak 999 spectrum 1 weight 0.10000E+01 volume 0.70481E-03 ppm1 1.874 ppm2 7.869 CV 1 OR { 999} (( segid " " and resid 38 and name HG11)) (( segid " " and resid 39 and name HN )) ASSI { 1003} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 37 and name HN )) 4.700 2.700 1.300 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.64005E-03 ppm1 1.632 ppm2 7.697 CV 1 OR { 1003} (( segid " " and resid 34 and name HG2 )) (( segid " " and resid 38 and name HN )) ASSI { 1047} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 78 and name HG2%) 2.800 1.000 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.25521E-02 ppm1 1.217 ppm2 0.897 CV 1 OR { 1047} (( segid " " and resid 78 and name HG12)) ( segid " " and resid 60 and name HD1%) ASSI { 1050} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG1 )) 2.200 0.600 0.600 peak 1050 spectrum 1 weight 0.10000E+01 volume 0.14415E-01 ppm1 2.213 ppm2 2.446 CV 1 OR { 1050} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 47 and name HG2 )) OR { 1050} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HG2 )) ASSI { 1065} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 60 and name HD1%) 4.900 3.000 1.100 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.48534E-03 ppm1 2.342 ppm2 0.900 CV 1 OR { 1065} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 58 and name HG1%) OR { 1065} (( segid " " and resid 53 and name HB2 )) ( segid " " and resid 78 and name HG2%) ASSI { 1070} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 44 and name HA )) 2.400 0.700 0.700 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.53671E-02 ppm1 2.215 ppm2 4.345 CV 1 OR { 1070} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1087} (( segid " " and resid 47 and name HB1 )) (( segid " " and resid 48 and name HN )) 4.000 2.000 2.000 peak 1087 spectrum 1 weight 0.10000E+01 volume 0.93464E-03 ppm1 2.340 ppm2 8.281 CV 1 OR { 1087} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 55 and name HN )) ASSI { 1088} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.18729E-02 ppm1 2.232 ppm2 8.261 CV 1 OR { 1088} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 21 and name HN )) ASSI { 1090} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 48 and name HN )) 3.100 1.200 1.200 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.95357E-03 ppm1 2.203 ppm2 8.281 CV 1 OR { 1090} (( segid " " and resid 47 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 1096} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.700 1.700 1.700 peak 1096 spectrum 1 weight 0.10000E+01 volume 0.51804E-03 ppm1 2.137 ppm2 7.689 CV 1 OR { 1096} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1124} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.400 1.400 1.400 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.66963E-03 ppm1 1.811 ppm2 7.687 CV 1 OR { 1124} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 38 and name HN )) ASSI { 1127} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 1127 spectrum 1 weight 0.10000E+01 volume 0.32390E-02 ppm1 2.194 ppm2 8.166 CV 1 OR { 1127} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) ASSI { 1134} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 21 and name HN )) 4.300 2.300 1.700 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.58095E-03 ppm1 2.043 ppm2 8.268 CV 1 OR { 1134} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 16 and name HN )) OR { 1134} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 16 and name HN )) OR { 1134} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 14 and name HN )) OR { 1134} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 14 and name HN )) ASSI { 1141} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 13 and name HA )) 4.200 2.200 1.800 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.39542E-03 ppm1 2.007 ppm2 4.337 CV 1 OR { 1141} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 50 and name HA )) ASSI { 1155} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 48 and name HA )) 3.800 1.800 1.800 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.44947E-03 ppm1 2.017 ppm2 3.928 CV 1 OR { 1155} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 49 and name HA )) ASSI { 1166} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HD2 )) 3.400 1.500 1.500 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.18526E-02 ppm1 2.020 ppm2 3.305 CV 1 OR { 1166} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HD2 )) OR { 1166} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HD2 )) ASSI { 1170} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HD2 )) 3.300 1.400 1.400 peak 1170 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 2.207 ppm2 3.312 CV 1 OR { 1170} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HD2 )) ASSI { 1183} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HB2 )) 1.900 0.400 0.400 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.79941E-02 ppm1 1.872 ppm2 1.631 CV 1 OR { 1183} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HB1 )) OR { 1183} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HG1 )) ASSI { 1185} (( segid " " and resid 12 and name HB2 )) (( segid " " and resid 12 and name HG2 )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.28494E-02 ppm1 2.014 ppm2 1.704 CV 1 OR { 1185} (( segid " " and resid 12 and name HB1 )) (( segid " " and resid 12 and name HG2 )) OR { 1185} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HG2 )) ASSI { 1192} (( segid " " and resid 16 and name HB1 )) (( segid " " and resid 16 and name HG2 )) 2.100 0.600 0.600 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.14365E-01 ppm1 2.224 ppm2 2.378 CV 1 OR { 1192} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG1 )) OR { 1192} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HG2 )) ASSI { 1195} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG2 )) 2.500 0.800 0.800 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.29610E-02 ppm1 2.202 ppm2 1.630 CV 1 OR { 1195} (( segid " " and resid 51 and name HB1 )) ( segid " " and resid 13 and name HB% ) ASSI { 1201} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 1201 spectrum 1 weight 0.10000E+01 volume 0.21609E-02 ppm1 2.295 ppm2 1.077 CV 1 OR { 1201} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 68 and name HG2%) OR { 1201} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 74 and name HD2%) ASSI { 1202} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG1%) 3.500 1.500 1.500 peak 1202 spectrum 1 weight 0.10000E+01 volume 0.87867E-03 ppm1 2.405 ppm2 1.083 CV 1 OR { 1202} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 68 and name HG2%) OR { 1202} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 74 and name HD2%) ASSI { 1204} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 55 and name HB2 )) 4.100 2.100 1.900 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.91736E-03 ppm1 2.013 ppm2 1.427 CV 1 OR { 1204} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 1206} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) 3.800 1.800 1.800 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.85362E-03 ppm1 2.031 ppm2 1.424 CV 1 OR { 1206} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 52 and name HB2 )) ASSI { 1209} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 4.500 2.500 1.500 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.16434E-02 ppm1 1.874 ppm2 1.087 CV 1 OR { 1209} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 10 and name HD2%) OR { 1209} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 68 and name HG1%) ASSI { 1210} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 31 and name HD2%) 5.000 3.200 1.000 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.43070E-03 ppm1 1.872 ppm2 0.817 CV 1 OR { 1210} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 75 and name HD2%) ASSI { 1245} (( segid " " and resid 64 and name HB )) ( segid " " and resid 64 and name HG2%) 2.100 0.500 0.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.12340E-01 ppm1 2.267 ppm2 1.016 CV 1 OR { 1245} (( segid " " and resid 15 and name HB )) ( segid " " and resid 15 and name HG1%) ASSI { 1247} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 10 and name HD2%) 4.300 2.300 1.700 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.62128E-03 ppm1 2.028 ppm2 1.080 CV 1 OR { 1247} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 68 and name HG1%) OR { 1247} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 31 and name HB2 )) OR { 1247} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 68 and name HG2%) OR { 1247} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 74 and name HD1%) ASSI { 1248} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 64 and name HG1%) 4.800 2.800 1.200 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.41575E-03 ppm1 2.023 ppm2 1.003 CV 1 OR { 1248} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 64 and name HG2%) OR { 1248} (( segid " " and resid 67 and name HB1 )) ( segid " " and resid 77 and name HD2%) ASSI { 1262} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 75 and name HB2 )) 5.200 3.400 0.800 peak 1262 spectrum 1 weight 0.10000E+01 volume 0.35455E-03 ppm1 2.256 ppm2 1.650 CV 1 OR { 1262} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 31 and name HB1 )) OR { 1262} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 10 and name HB2 )) OR { 1262} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1265} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 42 and name H30%) 3.500 1.500 1.500 peak 1265 spectrum 1 weight 0.10000E+01 volume 0.11245E-02 ppm1 2.841 ppm2 1.025 CV 1 OR { 1265} (( segid " " and resid 46 and name HG1 )) ( segid " " and resid 43 and name HD1%) ASSI { 1266} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name H30%) 3.500 1.500 1.500 peak 1266 spectrum 1 weight 0.10000E+01 volume 0.78073E-03 ppm1 2.728 ppm2 1.026 CV 1 OR { 1266} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 43 and name HD1%) ASSI { 1276} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 71 and name HD2 )) 4.700 2.800 1.300 peak 1276 spectrum 1 weight 0.10000E+01 volume 0.39510E-03 ppm1 2.247 ppm2 3.072 CV 1 OR { 1276} (( segid " " and resid 71 and name HB1 )) (( segid " " and resid 30 and name HB2 )) ASSI { 1277} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 71 and name HD2 )) 3.800 1.800 1.800 peak 1277 spectrum 1 weight 0.10000E+01 volume 0.35131E-03 ppm1 2.038 ppm2 3.078 CV 1 OR { 1277} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 30 and name HB2 )) ASSI { 1289} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 43 and name HA )) 2.900 1.000 1.000 peak 1289 spectrum 1 weight 0.10000E+01 volume 0.28636E-02 ppm1 2.843 ppm2 4.283 CV 1 OR { 1289} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HA )) ASSI { 1290} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA )) 2.700 0.900 0.900 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.29395E-02 ppm1 2.731 ppm2 4.283 CV 1 OR { 1290} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HA )) ASSI { 1293} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 30 and name HE% ) 3.400 1.400 1.400 peak 1293 spectrum 1 weight 0.10000E+01 volume 0.11861E-02 ppm1 2.255 ppm2 7.235 CV 1 OR { 1293} (( segid " " and resid 71 and name HB1 )) ( segid " " and resid 35 and name HD% ) ASSI { 1294} (( segid " " and resid 71 and name HB2 )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.53455E-03 ppm1 2.034 ppm2 7.232 CV 1 OR { 1294} (( segid " " and resid 71 and name HB2 )) (( segid " " and resid 33 and name HN )) ASSI { 1308} (( segid " " and resid 68 and name HB )) (( segid " " and resid 74 and name HN )) 4.000 2.000 2.000 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.56346E-03 ppm1 2.328 ppm2 7.913 CV 1 OR { 1308} (( segid " " and resid 68 and name HB )) (( segid " " and resid 67 and name HN )) ASSI { 1309} (( segid " " and resid 68 and name HB )) (( segid " " and resid 68 and name HN )) 3.500 1.600 1.600 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.19875E-02 ppm1 2.326 ppm2 7.755 CV 1 OR { 1309} (( segid " " and resid 68 and name HB )) (( segid " " and resid 73 and name HN )) ASSI { 1318} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD1%) 4.100 2.100 1.900 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.93690E-03 ppm1 2.328 ppm2 0.984 CV 1 OR { 1318} (( segid " " and resid 68 and name HB )) ( segid " " and resid 77 and name HD2%) OR { 1318} (( segid " " and resid 68 and name HB )) ( segid " " and resid 70 and name HG2%) OR { 1318} (( segid " " and resid 68 and name HB )) ( segid " " and resid 64 and name HG1%) ASSI { 1319} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HG1%) 2.100 0.600 0.600 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.84622E-02 ppm1 2.103 ppm2 0.941 CV 1 OR { 1319} (( segid " " and resid 58 and name HB )) ( segid " " and resid 78 and name HG2%) ASSI { 1331} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 50 and name HA )) 4.900 3.000 1.100 peak 1331 spectrum 1 weight 0.10000E+01 volume 0.47107E-03 ppm1 2.343 ppm2 4.336 CV 1 OR { 1331} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 54 and name HA )) ASSI { 1337} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 60 and name HD1%) 3.200 1.300 1.300 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.88454E-03 ppm1 2.679 ppm2 0.890 CV 1 OR { 1337} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 78 and name HG2%) ASSI { 1347} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 48 and name HN )) 4.800 2.900 1.200 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.45003E-03 ppm1 2.563 ppm2 8.288 CV 1 OR { 1347} (( segid " " and resid 47 and name HG1 )) (( segid " " and resid 46 and name HN )) ASSI { 1348} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 48 and name HN )) 5.200 3.300 0.800 peak 1348 spectrum 1 weight 0.10000E+01 volume 0.32218E-03 ppm1 2.447 ppm2 8.289 CV 1 OR { 1348} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 46 and name HN )) ASSI { 1352} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 37 and name HN )) 3.500 1.500 1.500 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.16026E-02 ppm1 2.451 ppm2 7.688 CV 1 OR { 1352} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 37 and name HN )) OR { 1352} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 38 and name HN )) ASSI { 1355} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 1355 spectrum 1 weight 0.10000E+01 volume 0.45748E-02 ppm1 2.450 ppm2 4.347 CV 1 OR { 1355} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 36 and name HA )) OR { 1355} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 44 and name HA )) ASSI { 1356} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 50 and name HA )) 4.200 2.200 1.800 peak 1356 spectrum 1 weight 0.10000E+01 volume 0.49800E-03 ppm1 2.688 ppm2 4.331 CV 1 OR { 1356} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 52 and name HA )) OR { 1356} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 54 and name HA )) ASSI { 1373} (( segid " " and resid 36 and name HG1 )) (( segid " " and resid 34 and name HB2 )) 3.800 1.800 1.800 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.77533E-03 ppm1 2.446 ppm2 1.799 CV 1 OR { 1373} (( segid " " and resid 47 and name HG2 )) (( segid " " and resid 43 and name HG )) OR { 1373} (( segid " " and resid 36 and name HG2 )) (( segid " " and resid 34 and name HB2 )) ASSI { 1375} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 60 and name HD1%) 3.800 1.800 1.800 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.12858E-02 ppm1 2.354 ppm2 0.902 CV 1 OR { 1375} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 78 and name HG2%) OR { 1375} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 58 and name HG1%) ASSI { 1377} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG1%) 4.800 2.900 1.200 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.53635E-03 ppm1 2.486 ppm2 1.091 CV 1 OR { 1377} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 68 and name HG2%) OR { 1377} (( segid " " and resid 73 and name HG2 )) ( segid " " and resid 74 and name HD2%) ASSI { 1382} (( segid " " and resid 53 and name HG1 )) (( segid " " and resid 60 and name HG11)) 3.600 1.600 1.600 peak 1382 spectrum 1 weight 0.10000E+01 volume 0.46276E-03 ppm1 2.682 ppm2 1.588 CV 1 OR { 1382} (( segid " " and resid 53 and name HG1 )) ( segid " " and resid 49 and name HB% ) ASSI { 1383} (( segid " " and resid 53 and name HG2 )) (( segid " " and resid 60 and name HG11)) 3.100 1.200 1.200 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.42523E-03 ppm1 2.357 ppm2 1.603 CV 1 OR { 1383} (( segid " " and resid 53 and name HG2 )) ( segid " " and resid 49 and name HB% ) ASSI { 1388} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HD22)) 3.400 1.500 1.500 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.24551E-02 ppm1 2.797 ppm2 7.661 CV 1 OR { 1388} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 81 and name HN )) ASSI { 1426} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 35 and name HE% ) 5.000 3.100 1.000 peak 1426 spectrum 1 weight 0.10000E+01 volume 0.48555E-03 ppm1 3.126 ppm2 7.012 CV 1 OR { 1426} (( segid " " and resid 35 and name HB2 )) ( segid " " and resid 40 and name HD% ) ASSI { 1432} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.69807E-03 ppm1 3.447 ppm2 7.010 CV 1 OR { 1432} (( segid " " and resid 35 and name HB1 )) ( segid " " and resid 35 and name HE% ) ASSI { 1436} (( segid " " and resid 31 and name HA )) ( segid " " and resid 30 and name HE% ) 4.100 2.100 1.900 peak 1436 spectrum 1 weight 0.10000E+01 volume 0.69313E-03 ppm1 3.380 ppm2 7.242 CV 1 OR { 1436} (( segid " " and resid 31 and name HA )) (( segid " " and resid 33 and name HN )) ASSI { 1438} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.83109E-03 ppm1 3.384 ppm2 8.015 CV 1 OR { 1438} (( segid " " and resid 31 and name HA )) (( segid " " and resid 30 and name HN )) ASSI { 1439} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 35 and name HA )) 2.400 0.700 0.700 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.28448E-02 ppm1 3.447 ppm2 4.367 CV 1 OR { 1439} (( segid " " and resid 35 and name HB1 )) (( segid " " and resid 36 and name HA )) ASSI { 1442} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 35 and name HA )) 3.000 1.100 1.100 peak 1442 spectrum 1 weight 0.10000E+01 volume 0.22350E-02 ppm1 3.126 ppm2 4.368 CV 1 OR { 1442} (( segid " " and resid 35 and name HB2 )) (( segid " " and resid 36 and name HA )) ASSI { 1451} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.500 0.800 0.800 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.25248E-02 ppm1 3.382 ppm2 1.646 CV 1 OR { 1451} (( segid " " and resid 31 and name HA )) (( segid " " and resid 72 and name HB2 )) ASSI { 1457} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 2.800 1.000 1.000 peak 1457 spectrum 1 weight 0.10000E+01 volume 0.32577E-02 ppm1 3.380 ppm2 1.086 CV 1 OR { 1457} (( segid " " and resid 31 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 1463} (( segid " " and resid 78 and name HB )) ( segid " " and resid 82 and name HD2%) 3.800 1.800 1.800 peak 1463 spectrum 1 weight 0.10000E+01 volume 0.58254E-03 ppm1 1.908 ppm2 1.019 CV 1 OR { 1463} (( segid " " and resid 78 and name HB )) ( segid " " and resid 10 and name HD1%) OR { 1463} (( segid " " and resid 78 and name HB )) ( segid " " and resid 82 and name HD1%) ASSI { 1464} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG12)) 3.100 1.200 1.200 peak 1464 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 1.926 ppm2 1.172 CV 1 OR { 1464} (( segid " " and resid 60 and name HB )) (( segid " " and resid 42 and name H6A )) ASSI { 1467} (( segid " " and resid 60 and name HB )) (( segid " " and resid 60 and name HG11)) 2.500 0.800 0.800 peak 1467 spectrum 1 weight 0.10000E+01 volume 0.27752E-02 ppm1 1.922 ppm2 1.593 CV 1 OR { 1467} (( segid " " and resid 60 and name HB )) ( segid " " and resid 49 and name HB% ) ASSI { 1478} (( segid " " and resid 38 and name HB )) (( segid " " and resid 39 and name HN )) 3.700 1.700 1.700 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.12409E-02 ppm1 2.334 ppm2 7.865 CV 1 OR { 1478} (( segid " " and resid 38 and name HB )) (( segid " " and resid 40 and name HN )) ASSI { 1479} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HN )) 3.400 1.500 1.500 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.20272E-02 ppm1 2.336 ppm2 7.696 CV 1 OR { 1479} (( segid " " and resid 38 and name HB )) (( segid " " and resid 37 and name HN )) ASSI { 1484} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.700 0.900 0.900 peak 1484 spectrum 1 weight 0.10000E+01 volume 0.20701E-02 ppm1 2.878 ppm2 8.012 CV 1 OR { 1484} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HN )) ASSI { 1492} (( segid " " and resid 38 and name HB )) (( segid " " and resid 38 and name HA )) 2.500 0.800 0.800 peak 1492 spectrum 1 weight 0.10000E+01 volume 0.59185E-02 ppm1 2.333 ppm2 4.389 CV 1 OR { 1492} (( segid " " and resid 38 and name HB )) (( segid " " and resid 35 and name HA )) ASSI { 1501} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD2%) 3.000 1.100 1.100 peak 1501 spectrum 1 weight 0.10000E+01 volume 0.36294E-02 ppm1 3.442 ppm2 0.972 CV 1 OR { 1501} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 82 and name HD1%) OR { 1501} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1502} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 58 and name HG2%) 2.700 0.900 0.900 peak 1502 spectrum 1 weight 0.10000E+01 volume 0.28201E-02 ppm1 2.875 ppm2 0.965 CV 1 OR { 1502} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 33 and name HD1%) OR { 1502} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 82 and name HD1%) OR { 1502} (( segid " " and resid 63 and name HB1 )) ( segid " " and resid 64 and name HG1%) ASSI { 1505} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 1505 spectrum 1 weight 0.10000E+01 volume 0.13587E-02 ppm1 3.067 ppm2 1.040 CV 1 OR { 1505} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD2%) ASSI { 1506} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 38 and name HD1%) 3.800 1.800 1.800 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.48709E-03 ppm1 3.065 ppm2 0.944 CV 1 OR { 1506} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 33 and name HD1%) ASSI { 1509} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 38 and name HG2%) 3.400 1.400 1.400 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.18698E-02 ppm1 3.355 ppm2 1.042 CV 1 OR { 1509} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 33 and name HD2%) ASSI { 1511} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.000 1.100 1.100 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.38877E-02 ppm1 2.896 ppm2 1.615 CV 1 OR { 1511} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 44 and name HB% ) OR { 1511} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 45 and name HG )) ASSI { 1520} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 26 and name HA )) 4.600 2.700 1.400 peak 1520 spectrum 1 weight 0.10000E+01 volume 0.49040E-03 ppm1 3.064 ppm2 4.385 CV 1 OR { 1520} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HA )) ASSI { 1523} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HA )) 2.500 0.800 0.800 peak 1523 spectrum 1 weight 0.10000E+01 volume 0.53902E-02 ppm1 2.881 ppm2 4.644 CV 1 OR { 1523} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) OR { 1523} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HA )) ASSI { 1530} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.300 1.400 1.400 peak 1530 spectrum 1 weight 0.10000E+01 volume 0.11113E-02 ppm1 3.353 ppm2 8.021 CV 1 OR { 1530} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) ASSI { 1531} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.400 1.500 1.500 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.18176E-02 ppm1 3.067 ppm2 8.015 CV 1 OR { 1531} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 32 and name HN )) ASSI { 1532} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HN )) 3.300 1.400 1.400 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.17696E-02 ppm1 2.884 ppm2 8.617 CV 1 OR { 1532} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 62 and name HN )) ASSI { 1534} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 41 and name HN )) 3.500 1.500 1.500 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.10125E-02 ppm1 2.887 ppm2 8.265 CV 1 OR { 1534} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 41 and name HN )) OR { 1534} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 65 and name HN )) ASSI { 1559} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG )) 2.500 0.800 0.800 peak 1559 spectrum 1 weight 0.10000E+01 volume 0.42755E-02 ppm1 1.807 ppm2 1.628 CV 1 OR { 1559} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 44 and name HB% ) ASSI { 1569} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 1569 spectrum 1 weight 0.10000E+01 volume 0.20088E-02 ppm1 1.811 ppm2 4.210 CV 1 OR { 1569} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 42 and name HA )) ASSI { 1572} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HA )) 2.500 0.800 0.800 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.36467E-02 ppm1 1.802 ppm2 4.267 CV 1 OR { 1572} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 1585} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.400 1.500 1.500 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.28616E-02 ppm1 2.996 ppm2 7.866 CV 1 OR { 1585} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 39 and name HN )) OR { 1585} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 39 and name HN )) ASSI { 1591} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 46 and name HN )) 2.700 0.900 0.900 peak 1591 spectrum 1 weight 0.10000E+01 volume 0.17748E-02 ppm1 1.809 ppm2 8.270 CV 1 OR { 1591} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 46 and name HN )) ASSI { 1593} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HN )) 3.700 1.700 1.700 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.25703E-02 ppm1 1.801 ppm2 8.175 CV 1 OR { 1593} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 44 and name HN )) ASSI { 1603} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 22 and name HN )) 2.800 1.000 1.000 peak 1603 spectrum 1 weight 0.10000E+01 volume 0.48401E-02 ppm1 2.808 ppm2 8.470 CV 1 OR { 1603} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 22 and name HN )) OR { 1603} (( segid " " and resid 22 and name HB1 )) (( segid " " and resid 23 and name HN )) OR { 1603} (( segid " " and resid 22 and name HB2 )) (( segid " " and resid 23 and name HN )) ASSI { 1625} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HN )) 2.500 0.800 0.800 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.43285E-02 ppm1 1.653 ppm2 8.771 CV 1 OR { 1625} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 11 and name HN )) ASSI { 1626} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HN )) 2.300 0.700 0.700 peak 1626 spectrum 1 weight 0.10000E+01 volume 0.49358E-02 ppm1 1.667 ppm2 7.926 CV 1 OR { 1626} (( segid " " and resid 10 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 1642} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 71 and name HA )) 2.500 0.800 0.800 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.44130E-02 ppm1 2.450 ppm2 4.247 CV 1 OR { 1642} (( segid " " and resid 74 and name HB1 )) (( segid " " and resid 74 and name HA )) ASSI { 1644} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 49 and name HA )) 4.000 2.000 2.000 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.13396E-02 ppm1 2.247 ppm2 3.924 CV 1 OR { 1644} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 48 and name HA )) OR { 1644} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 75 and name HA )) ASSI { 1650} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 72 and name HA )) 3.200 1.300 1.300 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.11823E-02 ppm1 1.649 ppm2 3.638 CV 1 OR { 1650} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 72 and name HA )) ASSI { 1651} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 71 and name HA )) 2.400 0.700 0.700 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.41104E-02 ppm1 1.676 ppm2 4.239 CV 1 OR { 1651} (( segid " " and resid 74 and name HB2 )) (( segid " " and resid 74 and name HA )) ASSI { 1661} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB1 )) 4.100 2.100 1.900 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 3.000 ppm2 2.202 CV 1 OR { 1661} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB1 )) OR { 1661} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 10 and name HB1 )) ASSI { 1663} (( segid " " and resid 75 and name HB2 )) (( segid " " and resid 75 and name HB1 )) 1.700 0.400 0.500 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.10266E-01 ppm1 1.647 ppm2 2.042 CV 1 OR { 1663} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 71 and name HB2 )) ASSI { 1669} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 1.800 0.400 0.400 peak 1669 spectrum 1 weight 0.10000E+01 volume 0.10706E-01 ppm1 1.086 ppm2 1.651 CV 1 OR { 1669} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 72 and name HB2 )) ASSI { 1677} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 33 and name HB1 )) 3.000 1.100 1.100 peak 1677 spectrum 1 weight 0.10000E+01 volume 0.14433E-02 ppm1 3.000 ppm2 1.803 CV 1 OR { 1677} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 33 and name HB1 )) OR { 1677} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 34 and name HB2 )) OR { 1677} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 34 and name HB2 )) ASSI { 1678} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 33 and name HB2 )) 3.900 1.900 1.900 peak 1678 spectrum 1 weight 0.10000E+01 volume 0.16475E-02 ppm1 2.998 ppm2 1.431 CV 1 OR { 1678} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 33 and name HB2 )) OR { 1678} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 5 and name HB2 )) ASSI { 1680} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HG2%) 3.100 1.200 1.200 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.17693E-02 ppm1 2.999 ppm2 1.052 CV 1 OR { 1680} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HG2%) OR { 1680} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 10 and name HD1%) ASSI { 1681} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 33 and name HD1%) 3.700 1.700 1.700 peak 1681 spectrum 1 weight 0.10000E+01 volume 0.12500E-02 ppm1 3.004 ppm2 0.946 CV 1 OR { 1681} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 33 and name HD1%) OR { 1681} (( segid " " and resid 37 and name HB2 )) ( segid " " and resid 38 and name HD1%) OR { 1681} (( segid " " and resid 37 and name HB1 )) ( segid " " and resid 38 and name HD1%) ASSI { 1684} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD2%) 2.700 0.900 0.900 peak 1684 spectrum 1 weight 0.10000E+01 volume 0.23512E-02 ppm1 2.246 ppm2 0.967 CV 1 OR { 1684} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 58 and name HG2%) ASSI { 1685} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 1685 spectrum 1 weight 0.10000E+01 volume 0.37191E-02 ppm1 2.245 ppm2 0.835 CV 1 OR { 1685} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 78 and name HD1%) ASSI { 1690} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 26 and name HD2%) 3.100 1.200 1.200 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.29822E-02 ppm1 1.930 ppm2 0.838 CV 1 OR { 1690} (( segid " " and resid 14 and name HB1 )) ( segid " " and resid 14 and name HD2%) ASSI { 1692} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD2%) 2.200 0.600 0.600 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.10875E-01 ppm1 1.654 ppm2 0.817 CV 1 OR { 1692} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD2%) OR { 1692} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 75 and name HD1%) OR { 1692} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 75 and name HD1%) ASSI { 1693} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 31 and name HD1%) 2.800 1.000 1.000 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.26110E-02 ppm1 1.653 ppm2 0.531 CV 1 OR { 1693} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 5 and name HD1%) ASSI { 1694} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HB2 )) 1.700 0.300 0.500 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.17871E-01 ppm1 1.657 ppm2 1.075 CV 1 OR { 1694} (( segid " " and resid 75 and name HB2 )) ( segid " " and resid 10 and name HD2%) OR { 1694} (( segid " " and resid 10 and name HB2 )) ( segid " " and resid 10 and name HD2%) ASSI { 1695} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD2%) 2.800 1.000 1.000 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.48001E-02 ppm1 1.411 ppm2 0.962 CV 1 OR { 1695} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 33 and name HD1%) OR { 1695} (( segid " " and resid 33 and name HB2 )) ( segid " " and resid 38 and name HD1%) ASSI { 1696} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 52 and name HD1%) 2.500 0.800 0.800 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.39406E-02 ppm1 1.405 ppm2 0.835 CV 1 OR { 1696} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 78 and name HD1%) ASSI { 1706} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HG )) 3.200 1.300 1.300 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.18509E-02 ppm1 2.250 ppm2 2.039 CV 1 OR { 1706} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1722} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD1%) 2.200 0.600 0.600 peak 1722 spectrum 1 weight 0.10000E+01 volume 0.11841E-01 ppm1 1.984 ppm2 0.989 CV 1 OR { 1722} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD1%) OR { 1722} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD1%) OR { 1722} (( segid " " and resid 77 and name HB1 )) ( segid " " and resid 77 and name HD2%) OR { 1722} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 4 and name HD2%) OR { 1722} (( segid " " and resid 82 and name HB1 )) ( segid " " and resid 82 and name HD2%) OR { 1722} (( segid " " and resid 77 and name HB2 )) ( segid " " and resid 77 and name HD2%) ASSI { 1725} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 75 and name HD1%) 2.900 1.100 1.100 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.20324E-02 ppm1 1.551 ppm2 0.807 CV 1 OR { 1725} (( segid " " and resid 5 and name HB1 )) ( segid " " and resid 78 and name HD1%) ASSI { 1726} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 78 and name HD1%) 3.700 1.700 1.700 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.18620E-02 ppm1 1.452 ppm2 0.813 CV 1 OR { 1726} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 52 and name HD1%) OR { 1726} (( segid " " and resid 5 and name HB2 )) ( segid " " and resid 75 and name HD1%) ASSI { 1730} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD2%) 2.500 0.800 0.800 peak 1730 spectrum 1 weight 0.10000E+01 volume 0.55214E-02 ppm1 1.578 ppm2 0.988 CV 1 OR { 1730} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 4 and name HD2%) OR { 1730} (( segid " " and resid 82 and name HB2 )) ( segid " " and resid 82 and name HD1%) ASSI { 1733} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 33 and name HD2%) 2.400 0.700 0.700 peak 1733 spectrum 1 weight 0.10000E+01 volume 0.56047E-02 ppm1 1.785 ppm2 1.044 CV 1 OR { 1733} (( segid " " and resid 33 and name HB1 )) ( segid " " and resid 38 and name HG2%) ASSI { 1743} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HA )) 2.100 0.600 0.600 peak 1743 spectrum 1 weight 0.10000E+01 volume 0.12393E-01 ppm1 1.987 ppm2 4.267 CV 1 OR { 1743} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) OR { 1743} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HA )) OR { 1743} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 74 and name HA )) ASSI { 1748} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 4 and name HA )) 3.400 1.400 1.400 peak 1748 spectrum 1 weight 0.10000E+01 volume 0.17091E-02 ppm1 1.480 ppm2 4.359 CV 1 OR { 1748} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 3 and name HA )) ASSI { 1758} (( segid " " and resid 77 and name HB1 )) (( segid " " and resid 77 and name HN )) 2.200 0.600 0.600 peak 1758 spectrum 1 weight 0.10000E+01 volume 0.97605E-02 ppm1 1.989 ppm2 7.943 CV 1 OR { 1758} (( segid " " and resid 77 and name HB2 )) (( segid " " and resid 77 and name HN )) OR { 1758} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 83 and name HN )) ASSI { 1782} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HN )) 4.400 2.400 1.600 peak 1782 spectrum 1 weight 0.10000E+01 volume 0.53841E-03 ppm1 3.442 ppm2 8.175 CV 1 OR { 1782} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 35 and name HN )) ASSI { 1798} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 13 and name HA )) 3.000 3.000 3.000 peak 1798 spectrum 1 weight 0.10000E+01 volume 0.73876E-03 ppm1 3.284 ppm2 4.339 CV 1 OR { 1798} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 50 and name HA )) OR { 1798} (( segid " " and resid 51 and name HD2 )) (( segid " " and resid 14 and name HA )) ASSI { 1801} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 13 and name HA )) 4.000 2.000 2.000 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.84483E-03 ppm1 3.437 ppm2 4.341 CV 1 OR { 1801} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 33 and name HA )) ASSI { 1816} (( segid " " and resid 34 and name HD2 )) (( segid " " and resid 34 and name HG1 )) 2.400 0.700 0.700 peak 1816 spectrum 1 weight 0.10000E+01 volume 0.61587E-02 ppm1 3.316 ppm2 1.923 CV 1 OR { 1816} (( segid " " and resid 12 and name HD2 )) (( segid " " and resid 12 and name HG1 )) ASSI { 1819} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 1819 spectrum 1 weight 0.10000E+01 volume 0.30198E-02 ppm1 3.435 ppm2 2.204 CV 1 OR { 1819} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1821} (( segid " " and resid 51 and name HD1 )) (( segid " " and resid 51 and name HD2 )) 1.400 0.300 0.800 peak 1821 spectrum 1 weight 0.10000E+01 volume 0.32681E-01 ppm1 3.433 ppm2 3.314 CV 1 OR { 1821} (( segid " " and resid 34 and name HD1 )) (( segid " " and resid 34 and name HD2 )) ASSI { 1826} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 39 and name HN )) 2.800 1.000 1.000 peak 1826 spectrum 1 weight 0.10000E+01 volume 0.64602E-02 ppm1 4.248 ppm2 7.865 CV 1 OR { 1826} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 40 and name HN )) ASSI { 1827} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 38 and name HN )) 5.200 3.400 0.800 peak 1827 spectrum 1 weight 0.10000E+01 volume 0.31076E-03 ppm1 4.234 ppm2 7.696 CV 1 OR { 1827} (( segid " " and resid 39 and name HA1 )) (( segid " " and resid 37 and name HN )) ASSI { 1828} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 39 and name HN )) 2.200 0.600 0.600 peak 1828 spectrum 1 weight 0.10000E+01 volume 0.82729E-02 ppm1 3.817 ppm2 7.864 CV 1 OR { 1828} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 40 and name HN )) ASSI { 1829} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 38 and name HN )) 5.000 3.200 1.000 peak 1829 spectrum 1 weight 0.10000E+01 volume 0.34514E-03 ppm1 3.822 ppm2 7.697 CV 1 OR { 1829} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 37 and name HN )) ASSI { 1831} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 28 and name HN )) 2.800 1.000 1.000 peak 1831 spectrum 1 weight 0.10000E+01 volume 0.38184E-02 ppm1 4.260 ppm2 8.592 CV 1 OR { 1831} (( segid " " and resid 28 and name HA1 )) (( segid " " and resid 29 and name HN )) ASSI { 1832} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 38 and name HA )) 4.100 2.100 1.900 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.89215E-03 ppm1 3.814 ppm2 4.368 CV 1 OR { 1832} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 36 and name HA )) OR { 1832} (( segid " " and resid 39 and name HA2 )) (( segid " " and resid 35 and name HA )) ASSI { 1839} (( segid " " and resid 23 and name HA2 )) ( segid " " and resid 24 and name HG2%) 3.900 1.900 1.900 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.75918E-03 ppm1 4.064 ppm2 1.218 CV 1 OR { 1839} (( segid " " and resid 23 and name HA1 )) ( segid " " and resid 24 and name HG2%) OR { 1839} (( segid " " and resid 19 and name HA2 )) ( segid " " and resid 21 and name HG2%) ASSI { 1844} (( segid " " and resid 66 and name HA1 )) ( segid " " and resid 65 and name HB% ) 4.600 2.700 1.400 peak 1844 spectrum 1 weight 0.10000E+01 volume 0.43941E-03 ppm1 4.113 ppm2 1.490 CV 1 OR { 1844} (( segid " " and resid 19 and name HA1 )) ( segid " " and resid 18 and name HB% ) ASSI { 1845} (( segid " " and resid 23 and name HA1 )) (( segid " " and resid 22 and name HA )) 4.300 2.300 1.700 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.54633E-03 ppm1 4.065 ppm2 4.714 CV 1 OR { 1845} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 22 and name HA )) OR { 1845} (( segid " " and resid 23 and name HA2 )) (( segid " " and resid 25 and name HA )) ASSI { 1851} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 77 and name HA )) 3.200 1.300 1.300 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.11914E-02 ppm1 4.041 ppm2 4.250 CV 1 OR { 1851} (( segid " " and resid 80 and name HA2 )) (( segid " " and resid 82 and name HA )) OR { 1851} (( segid " " and resid 80 and name HA1 )) (( segid " " and resid 82 and name HA )) ASSI { 1861} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 4 and name HD2%) 4.200 2.200 1.800 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.32677E-03 ppm1 4.047 ppm2 0.974 CV 1 OR { 1861} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 77 and name HD1%) OR { 1861} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 82 and name HD2%) OR { 1861} (( segid " " and resid 80 and name HA2 )) ( segid " " and resid 82 and name HD1%) OR { 1861} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 4 and name HD2%) OR { 1861} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 82 and name HD2%) OR { 1861} (( segid " " and resid 80 and name HA1 )) ( segid " " and resid 82 and name HD1%) ASSI { 1875} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 60 and name HG2%) 3.400 1.400 1.400 peak 1875 spectrum 1 weight 0.10000E+01 volume 0.37936E-02 ppm1 4.033 ppm2 0.988 CV 1 OR { 1875} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 64 and name HG1%) OR { 1875} (( segid " " and resid 61 and name HD1 )) ( segid " " and resid 77 and name HD1%) ASSI { 1876} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 60 and name HG2%) 2.400 0.700 0.700 peak 1876 spectrum 1 weight 0.10000E+01 volume 0.69746E-02 ppm1 3.539 ppm2 0.986 CV 1 OR { 1876} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 64 and name HG1%) OR { 1876} (( segid " " and resid 61 and name HD2 )) ( segid " " and resid 77 and name HD1%) ASSI { 1884} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 38 and name HD1%) 2.900 2.900 3.100 peak 1884 spectrum 1 weight 0.10000E+01 volume 0.81474E-03 ppm1 3.077 ppm2 0.949 CV 1 OR { 1884} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 33 and name HD1%) ASSI { 1900} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HA )) 3.400 1.400 1.400 peak 1900 spectrum 1 weight 0.10000E+01 volume 0.35115E-03 ppm1 3.077 ppm2 4.363 CV 1 OR { 1900} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 35 and name HA )) ASSI { 1905} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 35 and name HA )) 3.300 1.400 1.400 peak 1905 spectrum 1 weight 0.10000E+01 volume 0.46695E-03 ppm1 4.074 ppm2 4.364 CV 1 OR { 1905} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HA )) ASSI { 1906} (( segid " " and resid 71 and name HD1 )) ( segid " " and resid 35 and name HD% ) 3.500 1.500 1.500 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.83063E-03 ppm1 4.065 ppm2 7.244 CV 1 OR { 1906} (( segid " " and resid 71 and name HD1 )) (( segid " " and resid 33 and name HN )) ASSI { 1907} (( segid " " and resid 71 and name HD2 )) (( segid " " and resid 33 and name HN )) 3.000 1.200 1.200 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.93448E-03 ppm1 3.077 ppm2 7.244 CV 1 OR { 1907} (( segid " " and resid 71 and name HD2 )) ( segid " " and resid 35 and name HD% ) ASSI { 1928} (( segid " " and resid 32 and name HA )) ( segid " " and resid 70 and name HG2%) 3.100 1.200 1.200 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.18986E-02 ppm1 5.049 ppm2 1.022 CV 1 OR { 1928} (( segid " " and resid 32 and name HA )) ( segid " " and resid 33 and name HD2%) ASSI { 1935} (( segid " " and resid 33 and name HA )) ( segid " " and resid 33 and name HD2%) 3.100 1.200 1.200 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.16859E-02 ppm1 4.360 ppm2 1.047 CV 1 OR { 1935} (( segid " " and resid 33 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 1937} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG1%) 3.200 1.300 1.300 peak 1937 spectrum 1 weight 0.10000E+01 volume 0.13402E-02 ppm1 4.185 ppm2 1.082 CV 1 OR { 1937} (( segid " " and resid 65 and name HA )) ( segid " " and resid 68 and name HG2%) OR { 1937} (( segid " " and resid 65 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 1938} (( segid " " and resid 65 and name HA )) ( segid " " and resid 60 and name HG2%) 3.300 1.300 1.300 peak 1938 spectrum 1 weight 0.10000E+01 volume 0.14566E-02 ppm1 4.183 ppm2 0.975 CV 1 OR { 1938} (( segid " " and resid 65 and name HA )) ( segid " " and resid 64 and name HG1%) OR { 1938} (( segid " " and resid 65 and name HA )) ( segid " " and resid 77 and name HD2%) ASSI { 1985} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.300 1.400 1.400 peak 1985 spectrum 1 weight 0.10000E+01 volume 0.14475E-02 ppm1 4.347 ppm2 8.461 CV 1 OR { 1985} (( segid " " and resid 13 and name HA )) (( segid " " and resid 15 and name HN )) ASSI { 1986} (( segid " " and resid 13 and name HA )) (( segid " " and resid 14 and name HN )) 3.000 1.100 1.100 peak 1986 spectrum 1 weight 0.10000E+01 volume 0.33537E-02 ppm1 4.342 ppm2 8.276 CV 1 OR { 1986} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HN )) OR { 1986} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) OR { 1986} (( segid " " and resid 44 and name HA )) (( segid " " and resid 46 and name HN )) OR { 1986} (( segid " " and resid 44 and name HA )) (( segid " " and resid 41 and name HN )) ASSI { 1988} (( segid " " and resid 4 and name HA )) (( segid " " and resid 79 and name HD21)) 4.700 2.700 1.300 peak 1988 spectrum 1 weight 0.10000E+01 volume 0.60337E-03 ppm1 4.352 ppm2 7.492 CV 1 OR { 1988} (( segid " " and resid 13 and name HA )) (( segid " " and resid 12 and name HE )) ASSI { 1992} (( segid " " and resid 44 and name HA )) (( segid " " and resid 45 and name HA )) 3.600 1.600 1.600 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.10564E-02 ppm1 4.342 ppm2 3.997 CV 1 OR { 1992} (( segid " " and resid 13 and name HA )) (( segid " " and resid 17 and name HB2 )) OR { 1992} (( segid " " and resid 44 and name HA )) (( segid " " and resid 17 and name HB2 )) ASSI { 1994} (( segid " " and resid 13 and name HA )) (( segid " " and resid 51 and name HD2 )) 3.800 1.800 1.800 peak 1994 spectrum 1 weight 0.10000E+01 volume 0.92219E-03 ppm1 4.335 ppm2 3.285 CV 1 OR { 1994} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HD2 )) ASSI { 1999} (( segid " " and resid 13 and name HA )) (( segid " " and resid 16 and name HG1 )) 3.500 1.500 1.500 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.89719E-03 ppm1 4.338 ppm2 2.654 CV 1 OR { 1999} (( segid " " and resid 13 and name HA )) (( segid " " and resid 9 and name HB2 )) ASSI { 2008} (( segid " " and resid 5 and name HA )) (( segid " " and resid 52 and name HB2 )) 4.100 2.100 1.900 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.15524E-02 ppm1 4.591 ppm2 1.421 CV 1 OR { 2008} (( segid " " and resid 5 and name HA )) (( segid " " and resid 55 and name HB2 )) ASSI { 2011} (( segid " " and resid 13 and name HA )) ( segid " " and resid 48 and name HG2%) 3.700 1.700 1.700 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.90434E-03 ppm1 4.342 ppm2 1.098 CV 1 OR { 2011} (( segid " " and resid 44 and name HA )) ( segid " " and resid 43 and name HD2%) OR { 2011} (( segid " " and resid 13 and name HA )) ( segid " " and resid 15 and name HG2%) OR { 2011} (( segid " " and resid 50 and name HA )) ( segid " " and resid 48 and name HG2%) OR { 2011} (( segid " " and resid 13 and name HA )) ( segid " " and resid 10 and name HD2%) ASSI { 2014} (( segid " " and resid 4 and name HA )) ( segid " " and resid 5 and name HD2%) 5.100 3.300 0.900 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.35251E-03 ppm1 4.356 ppm2 0.598 CV 1 OR { 2014} (( segid " " and resid 44 and name HA )) ( segid " " and resid 45 and name HD2%) OR { 2014} (( segid " " and resid 13 and name HA )) ( segid " " and resid 5 and name HD2%) ASSI { 2020} (( segid " " and resid 49 and name HA )) ( segid " " and resid 42 and name H8% ) 2.500 0.800 0.800 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.53506E-02 ppm1 3.925 ppm2 0.847 CV 1 OR { 2020} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2027} (( segid " " and resid 62 and name HA )) ( segid " " and resid 60 and name HG2%) 4.100 2.100 1.900 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.58131E-03 ppm1 4.475 ppm2 0.996 CV 1 OR { 2027} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HG2%) OR { 2027} (( segid " " and resid 62 and name HA )) ( segid " " and resid 64 and name HG1%) ASSI { 2028} (( segid " " and resid 49 and name HA )) ( segid " " and resid 48 and name HG2%) 3.300 1.400 1.400 peak 2028 spectrum 1 weight 0.10000E+01 volume 0.13253E-02 ppm1 3.925 ppm2 1.080 CV 1 OR { 2028} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 2028} (( segid " " and resid 49 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2029} (( segid " " and resid 49 and name HA )) ( segid " " and resid 60 and name HG2%) 4.200 2.200 1.800 peak 2029 spectrum 1 weight 0.10000E+01 volume 0.11277E-02 ppm1 3.926 ppm2 0.986 CV 1 OR { 2029} (( segid " " and resid 49 and name HA )) ( segid " " and resid 52 and name HD2%) OR { 2029} (( segid " " and resid 49 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 2035} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.500 0.800 0.800 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.51220E-02 ppm1 3.925 ppm2 8.544 CV 1 OR { 2035} (( segid " " and resid 49 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 2040} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) 2.400 0.700 0.700 peak 2040 spectrum 1 weight 0.10000E+01 volume 0.12679E-01 ppm1 4.273 ppm2 0.984 CV 1 OR { 2040} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD2%) OR { 2040} (( segid " " and resid 82 and name HA )) ( segid " " and resid 4 and name HD2%) ASSI { 2041} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 2.400 0.800 0.800 peak 2041 spectrum 1 weight 0.10000E+01 volume 0.73032E-02 ppm1 4.274 ppm2 1.573 CV 1 OR { 2041} (( segid " " and resid 82 and name HA )) ( segid " " and resid 85 and name HB% ) ASSI { 2044} (( segid " " and resid 49 and name HA )) (( segid " " and resid 51 and name HG2 )) 4.300 2.300 1.700 peak 2044 spectrum 1 weight 0.10000E+01 volume 0.52452E-03 ppm1 3.928 ppm2 1.690 CV 1 OR { 2044} (( segid " " and resid 49 and name HA )) (( segid " " and resid 74 and name HB2 )) ASSI { 2066} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD2%) 2.800 1.000 1.000 peak 2066 spectrum 1 weight 0.10000E+01 volume 0.44644E-02 ppm1 4.693 ppm2 1.044 CV 1 OR { 2066} (( segid " " and resid 30 and name HA )) ( segid " " and resid 38 and name HG2%) ASSI { 2068} (( segid " " and resid 30 and name HA )) ( segid " " and resid 33 and name HD1%) 3.200 1.300 1.300 peak 2068 spectrum 1 weight 0.10000E+01 volume 0.18674E-02 ppm1 4.693 ppm2 0.941 CV 1 OR { 2068} (( segid " " and resid 30 and name HA )) ( segid " " and resid 38 and name HD1%) ASSI { 2070} (( segid " " and resid 60 and name HA )) ( segid " " and resid 60 and name HG2%) 2.400 0.700 0.700 peak 2070 spectrum 1 weight 0.10000E+01 volume 0.61685E-02 ppm1 4.490 ppm2 0.983 CV 1 OR { 2070} (( segid " " and resid 60 and name HA )) ( segid " " and resid 58 and name HG2%) ASSI { 2072} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD2%) 2.000 0.500 0.500 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.15143E-01 ppm1 4.256 ppm2 1.063 CV 1 OR { 2072} (( segid " " and resid 43 and name HA )) ( segid " " and resid 43 and name HD2%) OR { 2072} (( segid " " and resid 74 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 2072} (( segid " " and resid 74 and name HA )) ( segid " " and resid 68 and name HG1%) ASSI { 2073} (( segid " " and resid 52 and name HA )) ( segid " " and resid 52 and name HD2%) 2.200 0.600 0.600 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.79102E-02 ppm1 4.290 ppm2 0.976 CV 1 OR { 2073} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD2%) OR { 2073} (( segid " " and resid 77 and name HA )) ( segid " " and resid 77 and name HD1%) ASSI { 2079} (( segid " " and resid 10 and name HA )) ( segid " " and resid 14 and name HD2%) 3.500 1.500 1.500 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.17515E-02 ppm1 4.189 ppm2 0.833 CV 1 OR { 2079} (( segid " " and resid 10 and name HA )) ( segid " " and resid 52 and name HD1%) OR { 2079} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD2%) OR { 2079} (( segid " " and resid 10 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2083} (( segid " " and resid 45 and name HA )) ( segid " " and resid 48 and name HG2%) 3.900 1.900 1.900 peak 2083 spectrum 1 weight 0.10000E+01 volume 0.11652E-02 ppm1 3.975 ppm2 1.095 CV 1 OR { 2083} (( segid " " and resid 45 and name HA )) ( segid " " and resid 74 and name HD2%) OR { 2083} (( segid " " and resid 45 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2085} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG )) 3.100 1.200 1.200 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.19824E-02 ppm1 3.974 ppm2 1.617 CV 1 OR { 2085} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2089} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB2 )) 2.200 0.600 0.600 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.70332E-02 ppm1 4.188 ppm2 1.643 CV 1 OR { 2089} (( segid " " and resid 10 and name HA )) ( segid " " and resid 13 and name HB% ) ASSI { 2099} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB2 )) 2.800 1.000 1.000 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.30818E-02 ppm1 4.517 ppm2 2.028 CV 1 OR { 2099} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HB1 )) OR { 2099} (( segid " " and resid 9 and name HA )) (( segid " " and resid 11 and name HB1 )) ASSI { 2104} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.400 0.700 0.700 peak 2104 spectrum 1 weight 0.10000E+01 volume 0.70450E-02 ppm1 4.659 ppm2 2.899 CV 1 OR { 2104} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) OR { 2104} (( segid " " and resid 40 and name HA )) (( segid " " and resid 41 and name HB2 )) ASSI { 2111} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HG2 )) 3.700 1.700 1.700 peak 2111 spectrum 1 weight 0.10000E+01 volume 0.10422E-02 ppm1 4.513 ppm2 1.673 CV 1 OR { 2111} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HB2 )) ASSI { 2112} (( segid " " and resid 45 and name HA )) ( segid " " and resid 42 and name H8% ) 4.000 2.000 2.000 peak 2112 spectrum 1 weight 0.10000E+01 volume 0.58105E-03 ppm1 3.970 ppm2 0.837 CV 1 OR { 2112} (( segid " " and resid 45 and name HA )) ( segid " " and resid 14 and name HD2%) ASSI { 2117} (( segid " " and resid 45 and name HA )) ( segid " " and resid 40 and name HD% ) 3.900 1.900 1.900 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.31398E-03 ppm1 3.968 ppm2 7.013 CV 1 OR { 2117} (( segid " " and resid 45 and name HA )) ( segid " " and resid 35 and name HE% ) ASSI { 2119} (( segid " " and resid 45 and name HA )) (( segid " " and resid 44 and name HN )) 4.900 3.000 1.100 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.36039E-03 ppm1 3.968 ppm2 8.166 CV 1 OR { 2119} (( segid " " and resid 45 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 2121} (( segid " " and resid 45 and name HA )) (( segid " " and resid 46 and name HN )) 3.100 1.200 1.200 peak 2121 spectrum 1 weight 0.10000E+01 volume 0.19648E-02 ppm1 3.973 ppm2 8.279 CV 1 OR { 2121} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 2125} (( segid " " and resid 74 and name HA )) (( segid " " and resid 74 and name HN )) 2.300 0.700 0.700 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.73290E-02 ppm1 4.263 ppm2 7.925 CV 1 OR { 2125} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) OR { 2125} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 2131} (( segid " " and resid 9 and name HA )) (( segid " " and resid 10 and name HN )) 3.100 1.200 1.200 peak 2131 spectrum 1 weight 0.10000E+01 volume 0.21673E-02 ppm1 4.511 ppm2 7.939 CV 1 OR { 2131} (( segid " " and resid 76 and name HA )) (( segid " " and resid 77 and name HN )) ASSI { 2138} (( segid " " and resid 30 and name HA )) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.25820E-02 ppm1 4.695 ppm2 8.019 CV 1 OR { 2138} (( segid " " and resid 30 and name HA )) (( segid " " and resid 32 and name HN )) ASSI { 2145} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD1%) 2.900 1.100 1.100 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.20173E-02 ppm1 3.906 ppm2 1.060 CV 1 OR { 2145} (( segid " " and resid 75 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 2145} (( segid " " and resid 75 and name HA )) ( segid " " and resid 74 and name HD2%) ASSI { 2146} (( segid " " and resid 75 and name HA )) ( segid " " and resid 75 and name HD1%) 2.400 0.700 0.700 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.91946E-02 ppm1 3.907 ppm2 0.810 CV 1 OR { 2146} (( segid " " and resid 75 and name HA )) ( segid " " and resid 78 and name HD1%) OR { 2146} (( segid " " and resid 75 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2152} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HB )) 2.900 1.000 1.000 peak 2152 spectrum 1 weight 0.10000E+01 volume 0.21549E-02 ppm1 3.905 ppm2 1.913 CV 1 OR { 2152} (( segid " " and resid 75 and name HA )) (( segid " " and resid 10 and name HG )) ASSI { 2156} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB1 )) 2.200 0.600 0.600 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.91319E-02 ppm1 4.272 ppm2 1.982 CV 1 OR { 2156} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HB2 )) OR { 2156} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB2 )) OR { 2156} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HB1 )) ASSI { 2157} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.10328E-01 ppm1 4.271 ppm2 1.802 CV 1 OR { 2157} (( segid " " and resid 77 and name HA )) (( segid " " and resid 77 and name HG )) OR { 2157} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG )) OR { 2157} (( segid " " and resid 74 and name HA )) (( segid " " and resid 77 and name HG )) ASSI { 2161} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB1 )) 2.500 0.800 0.800 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.47665E-02 ppm1 4.189 ppm2 2.236 CV 1 OR { 2161} (( segid " " and resid 16 and name HA )) (( segid " " and resid 15 and name HB )) ASSI { 2170} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB2 )) 2.300 0.600 0.600 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.82538E-02 ppm1 4.274 ppm2 2.335 CV 1 OR { 2170} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) OR { 2170} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HB1 )) ASSI { 2183} (( segid " " and resid 36 and name HA )) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 2183 spectrum 1 weight 0.10000E+01 volume 0.14454E-02 ppm1 4.348 ppm2 7.876 CV 1 OR { 2183} (( segid " " and resid 36 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2184} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 3.200 1.300 1.300 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.15871E-02 ppm1 4.347 ppm2 7.689 CV 1 OR { 2184} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2187} (( segid " " and resid 75 and name HA )) (( segid " " and resid 76 and name HN )) 3.000 1.200 1.200 peak 2187 spectrum 1 weight 0.10000E+01 volume 0.20931E-02 ppm1 3.907 ppm2 8.448 CV 1 OR { 2187} (( segid " " and resid 75 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 2192} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.500 0.800 0.800 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.49256E-02 ppm1 4.290 ppm2 8.268 CV 1 OR { 2192} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) OR { 2192} (( segid " " and resid 46 and name HA )) (( segid " " and resid 48 and name HN )) ASSI { 2194} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 3.100 1.200 1.200 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.16866E-02 ppm1 4.292 ppm2 8.473 CV 1 OR { 2194} (( segid " " and resid 77 and name HA )) (( segid " " and resid 78 and name HN )) ASSI { 2195} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 3.500 1.500 1.500 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.10375E-02 ppm1 4.242 ppm2 8.537 CV 1 OR { 2195} (( segid " " and resid 47 and name HA )) (( segid " " and resid 49 and name HN )) ASSI { 2203} (( segid " " and resid 53 and name HA )) ( segid " " and resid 58 and name HG1%) 3.700 1.700 1.700 peak 2203 spectrum 1 weight 0.10000E+01 volume 0.34062E-02 ppm1 4.204 ppm2 0.914 CV 1 OR { 2203} (( segid " " and resid 53 and name HA )) ( segid " " and resid 78 and name HG2%) ASSI { 2213} (( segid " " and resid 17 and name HA )) (( segid " " and resid 16 and name HB1 )) 4.000 2.000 2.000 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.57724E-03 ppm1 4.552 ppm2 2.223 CV 1 OR { 2213} (( segid " " and resid 17 and name HA )) (( segid " " and resid 47 and name HB2 )) OR { 2213} (( segid " " and resid 17 and name HA )) (( segid " " and resid 51 and name HB1 )) ASSI { 2221} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB1 )) 2.800 1.000 1.000 peak 2221 spectrum 1 weight 0.10000E+01 volume 0.40508E-02 ppm1 4.554 ppm2 4.111 CV 1 OR { 2221} (( segid " " and resid 58 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 2227} (( segid " " and resid 12 and name HA )) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 2227 spectrum 1 weight 0.10000E+01 volume 0.85553E-03 ppm1 4.031 ppm2 8.268 CV 1 OR { 2227} (( segid " " and resid 12 and name HA )) (( segid " " and resid 14 and name HN )) ASSI { 2252} (( segid " " and resid 11 and name HA )) (( segid " " and resid 10 and name HG )) 3.100 1.200 1.200 peak 2252 spectrum 1 weight 0.10000E+01 volume 0.22356E-02 ppm1 3.603 ppm2 1.920 CV 1 OR { 2252} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB1 )) OR { 2252} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HG1 )) ASSI { 2255} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 2.300 0.700 0.700 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.73032E-02 ppm1 3.638 ppm2 1.636 CV 1 OR { 2255} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG1 )) OR { 2255} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB1 )) ASSI { 2257} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HG1 )) 2.500 0.800 0.800 peak 2257 spectrum 1 weight 0.10000E+01 volume 0.37398E-02 ppm1 3.600 ppm2 1.440 CV 1 OR { 2257} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HB2 )) ASSI { 2259} (( segid " " and resid 11 and name HA )) ( segid " " and resid 14 and name HD2%) 2.900 1.000 1.000 peak 2259 spectrum 1 weight 0.10000E+01 volume 0.28613E-02 ppm1 3.616 ppm2 0.832 CV 1 OR { 2259} (( segid " " and resid 11 and name HA )) ( segid " " and resid 26 and name HD2%) OR { 2259} (( segid " " and resid 11 and name HA )) ( segid " " and resid 31 and name HD2%) ASSI { 2261} (( segid " " and resid 72 and name HA )) ( segid " " and resid 10 and name HD2%) 3.900 1.900 1.900 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.14870E-02 ppm1 3.632 ppm2 1.085 CV 1 OR { 2261} (( segid " " and resid 72 and name HA )) (( segid " " and resid 31 and name HB2 )) OR { 2261} (( segid " " and resid 72 and name HA )) ( segid " " and resid 74 and name HD1%) ASSI { 2263} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HG )) 3.900 1.900 1.900 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.10045E-02 ppm1 4.210 ppm2 1.630 CV 1 OR { 2263} (( segid " " and resid 42 and name HA )) ( segid " " and resid 44 and name HB% ) ASSI { 2267} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HB )) 2.400 0.700 0.700 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.54345E-02 ppm1 4.528 ppm2 2.321 CV 1 OR { 2267} (( segid " " and resid 68 and name HA )) (( segid " " and resid 73 and name HB2 )) ASSI { 2273} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB2 )) 2.100 0.500 0.500 peak 2273 spectrum 1 weight 0.10000E+01 volume 0.19640E-01 ppm1 4.335 ppm2 4.083 CV 1 OR { 2273} (( segid " " and resid 54 and name HA )) (( segid " " and resid 54 and name HB1 )) OR { 2273} (( segid " " and resid 54 and name HA )) (( segid " " and resid 57 and name HA2 )) ASSI { 2278} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 3.500 1.600 1.600 peak 2278 spectrum 1 weight 0.10000E+01 volume 0.10668E-02 ppm1 4.209 ppm2 8.266 CV 1 OR { 2278} (( segid " " and resid 42 and name HA )) (( segid " " and resid 41 and name HN )) ASSI { 2304} (( segid " " and resid 38 and name HA )) (( segid " " and resid 39 and name HN )) 2.900 1.100 1.100 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.23013E-02 ppm1 4.396 ppm2 7.865 CV 1 OR { 2304} (( segid " " and resid 38 and name HA )) (( segid " " and resid 40 and name HN )) ASSI { 2305} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HN )) 2.700 0.900 0.900 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.34534E-02 ppm1 4.396 ppm2 7.695 CV 1 OR { 2305} (( segid " " and resid 38 and name HA )) (( segid " " and resid 37 and name HN )) ASSI { 2306} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HN )) 1.900 0.400 0.400 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.20492E-01 ppm1 4.381 ppm2 8.192 CV 1 OR { 2306} (( segid " " and resid 35 and name HA )) (( segid " " and resid 35 and name HN )) ASSI { 2308} (( segid " " and resid 35 and name HA )) (( segid " " and resid 40 and name HN )) 4.100 2.100 1.900 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.97476E-03 ppm1 4.375 ppm2 7.877 CV 1 OR { 2308} (( segid " " and resid 35 and name HA )) (( segid " " and resid 39 and name HN )) ASSI { 2309} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HN )) 3.300 1.400 1.400 peak 2309 spectrum 1 weight 0.10000E+01 volume 0.24395E-02 ppm1 4.375 ppm2 7.695 CV 1 OR { 2309} (( segid " " and resid 35 and name HA )) (( segid " " and resid 37 and name HN )) ASSI { 2310} (( segid " " and resid 35 and name HA )) ( segid " " and resid 40 and name HD% ) 4.200 2.200 1.800 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.11992E-02 ppm1 4.370 ppm2 7.012 CV 1 OR { 2310} (( segid " " and resid 35 and name HA )) ( segid " " and resid 35 and name HE% ) ASSI { 2324} (( segid " " and resid 38 and name HA )) (( segid " " and resid 38 and name HG12)) 3.300 1.400 1.400 peak 2324 spectrum 1 weight 0.10000E+01 volume 0.29340E-02 ppm1 4.394 ppm2 1.477 CV 1 OR { 2324} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 2325} (( segid " " and resid 35 and name HA )) (( segid " " and resid 38 and name HG12)) 2.100 0.600 0.600 peak 2325 spectrum 1 weight 0.10000E+01 volume 0.31972E-02 ppm1 4.377 ppm2 1.479 CV 1 OR { 2325} (( segid " " and resid 3 and name HA )) (( segid " " and resid 4 and name HB2 )) ASSI { 2330} (( segid " " and resid 38 and name HA )) ( segid " " and resid 38 and name HD1%) 3.800 1.800 1.800 peak 2330 spectrum 1 weight 0.10000E+01 volume 0.26171E-02 ppm1 4.395 ppm2 0.942 CV 1 OR { 2330} (( segid " " and resid 3 and name HA )) ( segid " " and resid 4 and name HD2%) ASSI { 2344} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 44 and name HB% ) 3.800 1.800 1.800 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.75774E-03 ppm1 4.108 ppm2 1.608 CV 1 OR { 2344} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 13 and name HB% ) OR { 2344} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 49 and name HB% ) ASSI { 2346} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 13 and name HB% ) 4.200 2.200 1.800 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.52910E-03 ppm1 4.020 ppm2 1.602 CV 1 OR { 2346} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 44 and name HB% ) OR { 2346} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 49 and name HB% ) ASSI { 2348} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 47 and name HB2 )) 4.000 2.000 2.000 peak 2348 spectrum 1 weight 0.10000E+01 volume 0.78696E-03 ppm1 4.019 ppm2 2.211 CV 1 OR { 2348} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 51 and name HB1 )) OR { 2348} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 16 and name HB1 )) ASSI { 2349} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 47 and name HB2 )) 4.000 2.000 2.000 peak 2349 spectrum 1 weight 0.10000E+01 volume 0.59103E-03 ppm1 4.109 ppm2 2.204 CV 1 OR { 2349} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 51 and name HB1 )) ASSI { 2355} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 58 and name HA )) 4.100 2.100 1.900 peak 2355 spectrum 1 weight 0.10000E+01 volume 0.60605E-03 ppm1 3.807 ppm2 4.538 CV 1 OR { 2355} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 61 and name HA )) ASSI { 2356} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 58 and name HA )) 4.100 2.100 1.900 peak 2356 spectrum 1 weight 0.10000E+01 volume 0.53974E-03 ppm1 3.744 ppm2 4.543 CV 1 OR { 2356} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 61 and name HA )) ASSI { 2377} (( segid " " and resid 78 and name HA )) ( segid " " and resid 78 and name HG2%) 2.400 0.700 0.700 peak 2377 spectrum 1 weight 0.10000E+01 volume 0.77014E-02 ppm1 3.763 ppm2 0.911 CV 1 OR { 2377} (( segid " " and resid 78 and name HA )) ( segid " " and resid 60 and name HD1%) ASSI { 2380} (( segid " " and resid 78 and name HA )) ( segid " " and resid 81 and name HB% ) 3.100 1.200 1.200 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.23173E-02 ppm1 3.763 ppm2 1.627 CV 1 OR { 2380} (( segid " " and resid 78 and name HA )) (( segid " " and resid 60 and name HG11)) ASSI { 2391} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 2.900 1.000 1.000 peak 2391 spectrum 1 weight 0.10000E+01 volume 0.29349E-02 ppm1 3.927 ppm2 8.261 CV 1 OR { 2391} (( segid " " and resid 15 and name HA )) (( segid " " and resid 19 and name HN )) ASSI { 2405} (( segid " " and resid 71 and name HA )) ( segid " " and resid 74 and name HD2%) 3.500 1.500 1.500 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.31848E-02 ppm1 4.239 ppm2 1.063 CV 1 OR { 2405} (( segid " " and resid 71 and name HA )) ( segid " " and resid 74 and name HD1%) OR { 2405} (( segid " " and resid 71 and name HA )) ( segid " " and resid 10 and name HD1%) OR { 2405} (( segid " " and resid 71 and name HA )) ( segid " " and resid 68 and name HG2%) ASSI { 2411} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 43 and name HB2 )) 4.500 2.500 1.500 peak 2411 spectrum 1 weight 0.10000E+01 volume 0.43006E-03 ppm1 4.337 ppm2 1.791 CV 1 OR { 2411} (( segid " " and resid 42 and name HB2 )) (( segid " " and resid 45 and name HB1 )) ASSI { 2421} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD2%) 2.700 0.900 0.900 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.42372E-02 ppm1 3.851 ppm2 0.822 CV 1 OR { 2421} (( segid " " and resid 7 and name HA )) ( segid " " and resid 31 and name HD2%) OR { 2421} (( segid " " and resid 7 and name HA )) ( segid " " and resid 75 and name HD1%) ASSI { 2434} (( segid " " and resid 48 and name HA )) ( segid " " and resid 42 and name H8% ) 4.800 2.900 1.200 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.37782E-03 ppm1 3.947 ppm2 0.830 CV 1 OR { 2434} (( segid " " and resid 48 and name HA )) ( segid " " and resid 14 and name HD2%) OR { 2434} (( segid " " and resid 48 and name HA )) ( segid " " and resid 52 and name HD1%) ASSI { 2438} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HG )) 4.800 2.900 1.200 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.26389E-03 ppm1 4.425 ppm2 1.641 CV 1 OR { 2438} (( segid " " and resid 48 and name HB )) ( segid " " and resid 13 and name HB% ) OR { 2438} (( segid " " and resid 48 and name HB )) ( segid " " and resid 50 and name HB% ) ASSI { 2443} (( segid " " and resid 48 and name HB )) (( segid " " and resid 48 and name HA )) 2.300 0.600 0.600 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.94601E-02 ppm1 4.423 ppm2 3.949 CV 1 OR { 2443} (( segid " " and resid 48 and name HB )) (( segid " " and resid 45 and name HA )) OR { 2443} (( segid " " and resid 48 and name HB )) (( segid " " and resid 49 and name HA )) ASSI { 2445} (( segid " " and resid 48 and name HB )) ( segid " " and resid 42 and name H8% ) 3.900 1.900 1.900 peak 2445 spectrum 1 weight 0.10000E+01 volume 0.37675E-03 ppm1 4.421 ppm2 0.835 CV 1 OR { 2445} (( segid " " and resid 48 and name HB )) ( segid " " and resid 14 and name HD2%) ASSI { 2451} (( segid " " and resid 48 and name HA )) (( segid " " and resid 49 and name HN )) 3.200 1.300 1.300 peak 2451 spectrum 1 weight 0.10000E+01 volume 0.17974E-02 ppm1 3.945 ppm2 8.544 CV 1 OR { 2451} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) ASSI { 2459} (( segid " " and resid 7 and name HB )) ( segid " " and resid 31 and name HD2%) 4.100 2.100 1.900 peak 2459 spectrum 1 weight 0.10000E+01 volume 0.80928E-03 ppm1 4.295 ppm2 0.809 CV 1 OR { 2459} (( segid " " and resid 7 and name HB )) ( segid " " and resid 75 and name HD1%) ASSI { 2476} (( segid " " and resid 70 and name HB )) (( segid " " and resid 33 and name HN )) 3.800 1.800 1.800 peak 2476 spectrum 1 weight 0.10000E+01 volume 0.63197E-03 ppm1 4.569 ppm2 7.261 CV 1 OR { 2476} (( segid " " and resid 70 and name HB )) ( segid " " and resid 35 and name HD% ) ASSI { 2481} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HG1 )) 5.200 3.400 0.800 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.52256E-03 ppm1 4.569 ppm2 2.234 CV 1 OR { 2481} (( segid " " and resid 70 and name HB )) (( segid " " and resid 71 and name HB1 )) OR { 2481} (( segid " " and resid 70 and name HB )) (( segid " " and resid 34 and name HB1 )) ASSI { 2484} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 44 and name HB% ) 3.000 1.100 1.100 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.22078E-02 ppm1 6.759 ppm2 1.605 CV 1 OR { 2484} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 26 and name HG )) OR { 2484} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 13 and name HB% ) ASSI { 2487} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 38 and name HG2%) 2.700 2.700 3.300 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.22965E-02 ppm1 6.759 ppm2 1.062 CV 1 OR { 2487} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 15 and name HG1%) OR { 2487} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 10 and name HD1%) OR { 2487} ( segid " " and resid 40 and name HE% ) ( segid " " and resid 74 and name HD1%) ASSI { 2491} ( segid " " and resid 56 and name HE% ) ( segid " " and resid 13 and name HB% ) 2.600 2.600 3.400 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.14974E-02 ppm1 6.815 ppm2 1.631 CV 1 OR { 2491} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 4 and name HB1 )) ASSI { 2492} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 55 and name HB2 )) 3.300 1.300 1.300 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.16150E-02 ppm1 6.815 ppm2 1.441 CV 1 OR { 2492} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 5 and name HB2 )) ASSI { 2498} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HA )) 3.600 1.700 1.700 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.88644E-03 ppm1 6.760 ppm2 3.974 CV 1 OR { 2498} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 48 and name HA )) ASSI { 2501} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 15 and name HN )) 4.200 2.200 1.800 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.48713E-03 ppm1 6.758 ppm2 8.429 CV 1 OR { 2501} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 45 and name HN )) ASSI { 2502} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 14 and name HN )) 4.100 2.100 1.900 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.59715E-03 ppm1 6.759 ppm2 8.270 CV 1 OR { 2502} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 48 and name HN )) OR { 2502} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 41 and name HN )) OR { 2502} ( segid " " and resid 40 and name HE% ) (( segid " " and resid 46 and name HN )) ASSI { 2505} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 56 and name HA )) 3.100 3.100 2.900 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.55327E-03 ppm1 6.813 ppm2 4.800 CV 1 OR { 2505} ( segid " " and resid 56 and name HE% ) (( segid " " and resid 6 and name HA )) ASSI { 2520} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 42 and name H8% ) 4.700 2.700 1.300 peak 2520 spectrum 1 weight 0.10000E+01 volume 0.26400E-03 ppm1 6.931 ppm2 0.852 CV 1 OR { 2520} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 14 and name HD2%) OR { 2520} (( segid " " and resid 35 and name HZ )) ( segid " " and resid 52 and name HD1%) ASSI { 2523} (( segid " " and resid 30 and name HZ )) ( segid " " and resid 10 and name HD2%) 4.600 2.600 1.400 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.32409E-03 ppm1 7.302 ppm2 1.100 CV 1 OR { 2523} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 31 and name HB2 )) ASSI { 2526} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 10 and name HB1 )) 4.300 2.300 1.700 peak 2526 spectrum 1 weight 0.10000E+01 volume 0.24268E-03 ppm1 7.295 ppm2 2.202 CV 1 OR { 2526} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 71 and name HG1 )) ASSI { 2527} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB2 )) 3.800 1.800 1.800 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.43760E-03 ppm1 7.299 ppm2 2.044 CV 1 OR { 2527} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 11 and name HB1 )) OR { 2527} (( segid " " and resid 30 and name HZ )) (( segid " " and resid 71 and name HB2 )) ASSI { 2531} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 14 and name HD2%) 4.000 2.000 2.000 peak 2531 spectrum 1 weight 0.10000E+01 volume 0.66304E-03 ppm1 7.019 ppm2 0.848 CV 1 OR { 2531} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 42 and name H8% ) ASSI { 2533} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HG2 )) 5.100 3.200 0.900 peak 2533 spectrum 1 weight 0.10000E+01 volume 0.37003E-03 ppm1 7.016 ppm2 1.463 CV 1 OR { 2533} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 14 and name HB2 )) OR { 2533} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 38 and name HG12)) ASSI { 2535} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB1 )) 3.300 1.300 1.300 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.14152E-02 ppm1 7.228 ppm2 2.230 CV 1 OR { 2535} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 10 and name HB1 )) OR { 2535} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HG1 )) ASSI { 2536} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 71 and name HB2 )) 3.600 1.600 1.600 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.12959E-02 ppm1 7.226 ppm2 2.030 CV 1 OR { 2536} ( segid " " and resid 30 and name HE% ) (( segid " " and resid 11 and name HB1 )) ASSI { 2538} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 71 and name HA )) 3.900 1.900 1.900 peak 2538 spectrum 1 weight 0.10000E+01 volume 0.60317E-03 ppm1 7.020 ppm2 4.237 CV 1 OR { 2538} ( segid " " and resid 35 and name HE% ) (( segid " " and resid 74 and name HA )) ASSI { 2542} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 35 and name HA )) 4.300 2.400 1.700 peak 2542 spectrum 1 weight 0.10000E+01 volume 0.85800E-03 ppm1 7.004 ppm2 4.364 CV 1 OR { 2542} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 14 and name HA )) OR { 2542} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 36 and name HA )) ASSI { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 38 and name HG2%) 2.900 2.900 3.100 peak 2545 spectrum 1 weight 0.10000E+01 volume 0.12773E-02 ppm1 7.009 ppm2 1.061 CV 1 OR { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD2%) OR { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 10 and name HD1%) OR { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 43 and name HD2%) OR { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 68 and name HG2%) OR { 2545} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 74 and name HD1%) ASSI { 2547} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 26 and name HD2%) 4.300 2.300 1.700 peak 2547 spectrum 1 weight 0.10000E+01 volume 0.53491E-03 ppm1 7.007 ppm2 0.837 CV 1 OR { 2547} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 14 and name HD2%) OR { 2547} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 42 and name H8% ) ASSI { 2550} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 38 and name HG12)) 3.900 1.900 1.900 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.16789E-02 ppm1 7.006 ppm2 1.489 CV 1 OR { 2550} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 18 and name HB% ) ASSI { 2554} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 40 and name HN )) 3.100 1.200 1.200 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.16659E-02 ppm1 7.007 ppm2 7.871 CV 1 OR { 2554} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 39 and name HN )) ASSI { 2555} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 41 and name HN )) 4.300 2.300 1.700 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.53686E-03 ppm1 7.007 ppm2 8.266 CV 1 OR { 2555} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 48 and name HN )) OR { 2555} ( segid " " and resid 40 and name HD% ) (( segid " " and resid 46 and name HN )) ASSI { 2556} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 30 and name HN )) 2.700 0.900 0.900 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.24139E-02 ppm1 7.324 ppm2 8.016 CV 1 OR { 2556} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 32 and name HN )) ASSI { 2560} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HA )) 3.900 1.900 1.900 peak 2560 spectrum 1 weight 0.10000E+01 volume 0.57637E-03 ppm1 7.328 ppm2 4.382 CV 1 OR { 2560} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 35 and name HA )) ASSI { 2563} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 71 and name HG2 )) 2.900 1.100 1.100 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.10497E-02 ppm1 7.323 ppm2 1.471 CV 1 OR { 2563} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HB1 )) ASSI { 2564} ( segid " " and resid 30 and name HD% ) (( segid " " and resid 26 and name HB2 )) 3.300 1.400 1.400 peak 2564 spectrum 1 weight 0.10000E+01 volume 0.13203E-02 ppm1 7.325 ppm2 1.353 CV 1 OR { 2564} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 7 and name HG2%) ASSI { 2565} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 31 and name HD2%) 3.400 1.400 1.400 peak 2565 spectrum 1 weight 0.10000E+01 volume 0.95516E-03 ppm1 7.326 ppm2 0.830 CV 1 OR { 2565} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 26 and name HD2%) ASSI { 2566} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HG2%) 4.000 2.000 2.000 peak 2566 spectrum 1 weight 0.10000E+01 volume 0.86021E-03 ppm1 7.326 ppm2 1.056 CV 1 OR { 2566} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD2%) OR { 2566} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 10 and name HD1%) ASSI { 2567} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 38 and name HD1%) 3.600 1.600 1.600 peak 2567 spectrum 1 weight 0.10000E+01 volume 0.10446E-02 ppm1 7.325 ppm2 0.941 CV 1 OR { 2567} ( segid " " and resid 30 and name HD% ) ( segid " " and resid 33 and name HD1%) ASSI { 2573} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 38 and name HG12)) 4.500 2.600 1.500 peak 2573 spectrum 1 weight 0.10000E+01 volume 0.55111E-03 ppm1 7.247 ppm2 1.481 CV 1 OR { 2573} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 71 and name HG2 )) OR { 2573} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 14 and name HB2 )) ASSI { 2576} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 35 and name HA )) 2.600 0.900 0.900 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.34159E-02 ppm1 7.248 ppm2 4.368 CV 1 OR { 2576} ( segid " " and resid 35 and name HD% ) (( segid " " and resid 36 and name HA )) ASSI { 2578} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 35 and name HE% ) 2.700 0.900 0.900 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.23138E-02 ppm1 7.246 ppm2 7.019 CV 1 OR { 2578} ( segid " " and resid 35 and name HD% ) ( segid " " and resid 40 and name HD% ) ASSI { 2583} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 55 and name HB2 )) 3.800 1.800 1.800 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.76217E-03 ppm1 7.368 ppm2 1.433 CV 1 OR { 2583} ( segid " " and resid 56 and name HD% ) (( segid " " and resid 5 and name HB2 )) ASSI { 2584} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD2%) 2.700 0.900 0.900 peak 2584 spectrum 1 weight 0.10000E+01 volume 0.35776E-02 ppm1 7.375 ppm2 0.977 CV 1 OR { 2584} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 58 and name HG2%) OR { 2584} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 82 and name HD1%) ASSI { 2585} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 52 and name HD1%) 3.300 1.400 1.400 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.38140E-03 ppm1 7.381 ppm2 0.814 CV 1 OR { 2585} ( segid " " and resid 56 and name HD% ) ( segid " " and resid 78 and name HD1%) ASSI { 2594} ( segid " " and resid 4 and name HD2%) (( segid " " and resid 79 and name HB2 )) 3.900 1.900 1.900 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.10650E-02 ppm1 0.966 ppm2 2.787 CV 1 OR { 2594} ( segid " " and resid 77 and name HD1%) (( segid " " and resid 79 and name HB2 )) ASSI { 11} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HA )) 3.400 1.500 1.500 peak 11 spectrum 1 weight 0.10000E+01 volume 0.11339E-02 ppm1 8.476 ppm2 4.264 CV 1 OR { 11} (( segid " " and resid 78 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 13} (( segid " " and resid 78 and name HN )) (( segid " " and resid 78 and name HG11)) 2.400 0.700 0.700 peak 13 spectrum 1 weight 0.10000E+01 volume 0.30728E-02 ppm1 8.473 ppm2 1.800 CV 1 OR { 13} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HG )) ASSI { 32} (( segid " " and resid 60 and name HN )) ( segid " " and resid 60 and name HG2%) 3.900 1.900 1.900 peak 32 spectrum 1 weight 0.10000E+01 volume 0.13453E-02 ppm1 8.906 ppm2 0.979 CV 1 OR { 32} (( segid " " and resid 60 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 37} (( segid " " and resid 4 and name HN )) ( segid " " and resid 4 and name HD2%) 3.900 1.900 1.900 peak 37 spectrum 1 weight 0.10000E+01 volume 0.11847E-02 ppm1 8.191 ppm2 0.979 CV 1 OR { 37} (( segid " " and resid 4 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 40} (( segid " " and resid 4 and name HN )) ( segid " " and resid 3 and name HG2%) 2.900 1.000 1.000 peak 40 spectrum 1 weight 0.10000E+01 volume 0.17167E-02 ppm1 8.193 ppm2 1.370 CV 1 OR { 40} (( segid " " and resid 4 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 46} (( segid " " and resid 85 and name HN )) ( segid " " and resid 82 and name HD1%) 3.300 1.400 1.400 peak 46 spectrum 1 weight 0.10000E+01 volume 0.39996E-03 ppm1 7.916 ppm2 0.987 CV 1 OR { 46} (( segid " " and resid 85 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 46} (( segid " " and resid 85 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 52} (( segid " " and resid 85 and name HN )) (( segid " " and resid 82 and name HA )) 3.400 1.500 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.10456E-02 ppm1 7.921 ppm2 4.288 CV 1 OR { 52} (( segid " " and resid 85 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 67} (( segid " " and resid 26 and name HN )) (( segid " " and resid 25 and name HN )) 3.500 1.500 1.500 peak 67 spectrum 1 weight 0.10000E+01 volume 0.17144E-02 ppm1 8.486 ppm2 8.581 CV 1 OR { 67} (( segid " " and resid 26 and name HN )) (( segid " " and resid 28 and name HN )) ASSI { 77} (( segid " " and resid 5 and name HN )) (( segid " " and resid 4 and name HG )) 4.400 2.500 1.600 peak 77 spectrum 1 weight 0.10000E+01 volume 0.98757E-03 ppm1 9.395 ppm2 1.717 CV 1 OR { 77} (( segid " " and resid 5 and name HN )) (( segid " " and resid 75 and name HG )) ASSI { 82} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD2%) 3.500 1.500 1.500 peak 82 spectrum 1 weight 0.10000E+01 volume 0.21486E-02 ppm1 9.395 ppm2 0.991 CV 1 OR { 82} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 82} (( segid " " and resid 5 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 83} (( segid " " and resid 5 and name HN )) ( segid " " and resid 4 and name HD1%) 3.900 1.900 1.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.17706E-02 ppm1 9.395 ppm2 0.902 CV 1 OR { 83} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 84} (( segid " " and resid 5 and name HN )) ( segid " " and resid 75 and name HD1%) 4.100 2.100 1.900 peak 84 spectrum 1 weight 0.10000E+01 volume 0.89097E-03 ppm1 9.392 ppm2 0.805 CV 1 OR { 84} (( segid " " and resid 5 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 85} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD2%) 4.100 2.100 1.900 peak 85 spectrum 1 weight 0.10000E+01 volume 0.68053E-03 ppm1 7.680 ppm2 0.986 CV 1 OR { 85} (( segid " " and resid 81 and name HN )) ( segid " " and resid 82 and name HD1%) OR { 85} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 86} (( segid " " and resid 81 and name HN )) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 86 spectrum 1 weight 0.10000E+01 volume 0.58583E-03 ppm1 7.677 ppm2 0.901 CV 1 OR { 86} (( segid " " and resid 81 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 86} (( segid " " and resid 81 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 90} (( segid " " and resid 43 and name HN )) ( segid " " and resid 43 and name HD1%) 4.000 2.000 2.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.13255E-02 ppm1 7.915 ppm2 1.026 CV 1 OR { 90} (( segid " " and resid 43 and name HN )) ( segid " " and resid 42 and name H30%) ASSI { 92} (( segid " " and resid 43 and name HN )) ( segid " " and resid 44 and name HB% ) 4.100 2.100 1.900 peak 92 spectrum 1 weight 0.10000E+01 volume 0.11046E-02 ppm1 7.916 ppm2 1.604 CV 1 OR { 92} (( segid " " and resid 18 and name HN )) ( segid " " and resid 44 and name HB% ) ASSI { 95} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB2 )) 5.200 3.400 0.800 peak 95 spectrum 1 weight 0.10000E+01 volume 0.25848E-03 ppm1 7.911 ppm2 2.335 CV 1 OR { 95} (( segid " " and resid 18 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 95} (( segid " " and resid 43 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 95} (( segid " " and resid 43 and name HN )) (( segid " " and resid 47 and name HB1 )) ASSI { 102} (( segid " " and resid 43 and name HN )) (( segid " " and resid 42 and name HB2 )) 3.200 1.200 1.200 peak 102 spectrum 1 weight 0.10000E+01 volume 0.18885E-02 ppm1 7.917 ppm2 4.346 CV 1 OR { 102} (( segid " " and resid 18 and name HN )) (( segid " " and resid 14 and name HA )) OR { 102} (( segid " " and resid 43 and name HN )) (( segid " " and resid 44 and name HA )) ASSI { 106} (( segid " " and resid 81 and name HN )) (( segid " " and resid 82 and name HA )) 4.100 2.100 1.900 peak 106 spectrum 1 weight 0.10000E+01 volume 0.88855E-03 ppm1 7.678 ppm2 4.279 CV 1 OR { 106} (( segid " " and resid 81 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 122} (( segid " " and resid 49 and name HN )) (( segid " " and resid 49 and name HA )) 2.600 0.800 0.800 peak 122 spectrum 1 weight 0.10000E+01 volume 0.48709E-02 ppm1 8.544 ppm2 3.932 CV 1 OR { 122} (( segid " " and resid 49 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 130} (( segid " " and resid 49 and name HN )) (( segid " " and resid 47 and name HB1 )) 4.300 2.300 1.700 peak 130 spectrum 1 weight 0.10000E+01 volume 0.50708E-03 ppm1 8.544 ppm2 2.337 CV 1 OR { 130} (( segid " " and resid 49 and name HN )) (( segid " " and resid 46 and name HB2 )) OR { 130} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HB2 )) OR { 130} (( segid " " and resid 49 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 134} (( segid " " and resid 49 and name HN )) ( segid " " and resid 48 and name HG2%) 3.400 1.500 1.500 peak 134 spectrum 1 weight 0.10000E+01 volume 0.18031E-02 ppm1 8.544 ppm2 1.090 CV 1 OR { 134} (( segid " " and resid 49 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 136} (( segid " " and resid 49 and name HN )) ( segid " " and resid 60 and name HG2%) 4.900 3.000 1.100 peak 136 spectrum 1 weight 0.10000E+01 volume 0.44724E-03 ppm1 8.544 ppm2 0.990 CV 1 OR { 136} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 136} (( segid " " and resid 49 and name HN )) ( segid " " and resid 58 and name HG2%) ASSI { 137} (( segid " " and resid 49 and name HN )) ( segid " " and resid 42 and name H8% ) 3.500 1.500 1.500 peak 137 spectrum 1 weight 0.10000E+01 volume 0.88963E-03 ppm1 8.543 ppm2 0.840 CV 1 OR { 137} (( segid " " and resid 49 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 139} (( segid " " and resid 18 and name HN )) (( segid " " and resid 17 and name HB1 )) 3.100 1.200 1.200 peak 139 spectrum 1 weight 0.10000E+01 volume 0.15758E-02 ppm1 7.910 ppm2 4.109 CV 1 OR { 139} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HA1 )) ASSI { 143} (( segid " " and resid 18 and name HN )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 143 spectrum 1 weight 0.10000E+01 volume 0.40764E-02 ppm1 7.911 ppm2 8.253 CV 1 OR { 143} (( segid " " and resid 18 and name HN )) (( segid " " and resid 16 and name HN )) ASSI { 152} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB2 )) 5.200 3.400 0.800 peak 152 spectrum 1 weight 0.10000E+01 volume 0.40472E-03 ppm1 8.177 ppm2 2.328 CV 1 OR { 152} (( segid " " and resid 44 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 152} (( segid " " and resid 44 and name HN )) (( segid " " and resid 46 and name HB1 )) ASSI { 158} (( segid " " and resid 65 and name HN )) ( segid " " and resid 68 and name HG1%) 4.600 2.700 1.400 peak 158 spectrum 1 weight 0.10000E+01 volume 0.35590E-03 ppm1 8.292 ppm2 1.066 CV 1 OR { 158} (( segid " " and resid 65 and name HN )) ( segid " " and resid 68 and name HG2%) OR { 158} (( segid " " and resid 65 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 159} (( segid " " and resid 65 and name HN )) ( segid " " and resid 64 and name HG1%) 3.100 1.200 1.200 peak 159 spectrum 1 weight 0.10000E+01 volume 0.33712E-02 ppm1 8.295 ppm2 0.987 CV 1 OR { 159} (( segid " " and resid 65 and name HN )) ( segid " " and resid 60 and name HG2%) OR { 159} (( segid " " and resid 65 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 170} (( segid " " and resid 41 and name HN )) (( segid " " and resid 41 and name HB2 )) 2.500 0.800 0.800 peak 170 spectrum 1 weight 0.10000E+01 volume 0.52755E-02 ppm1 8.255 ppm2 2.887 CV 1 OR { 170} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB1 )) OR { 170} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HB2 )) ASSI { 176} (( segid " " and resid 41 and name HN )) (( segid " " and resid 40 and name HN )) 4.200 2.200 1.800 peak 176 spectrum 1 weight 0.10000E+01 volume 0.70574E-03 ppm1 8.254 ppm2 7.894 CV 1 OR { 176} (( segid " " and resid 41 and name HN )) (( segid " " and resid 43 and name HN )) ASSI { 180} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HA )) 2.600 0.900 0.900 peak 180 spectrum 1 weight 0.10000E+01 volume 0.42696E-02 ppm1 7.940 ppm2 4.266 CV 1 OR { 180} (( segid " " and resid 77 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 188} (( segid " " and resid 77 and name HN )) (( segid " " and resid 77 and name HG )) 3.700 1.700 1.700 peak 188 spectrum 1 weight 0.10000E+01 volume 0.15846E-02 ppm1 7.941 ppm2 1.814 CV 1 OR { 188} (( segid " " and resid 77 and name HN )) (( segid " " and resid 78 and name HG11)) ASSI { 206} (( segid " " and resid 33 and name HN )) ( segid " " and resid 33 and name HD2%) 3.300 1.300 1.300 peak 206 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 7.246 ppm2 1.038 CV 1 OR { 206} (( segid " " and resid 33 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 213} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HA )) 4.100 2.100 1.900 peak 213 spectrum 1 weight 0.10000E+01 volume 0.60157E-03 ppm1 7.246 ppm2 3.364 CV 1 OR { 213} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 214} (( segid " " and resid 33 and name HN )) (( segid " " and resid 32 and name HB1 )) 3.500 1.500 1.500 peak 214 spectrum 1 weight 0.10000E+01 volume 0.99570E-03 ppm1 7.246 ppm2 3.062 CV 1 OR { 214} (( segid " " and resid 33 and name HN )) (( segid " " and resid 71 and name HD2 )) OR { 214} (( segid " " and resid 33 and name HN )) (( segid " " and resid 30 and name HB2 )) ASSI { 222} (( segid " " and resid 35 and name HN )) (( segid " " and resid 37 and name HN )) 4.100 2.100 1.900 peak 222 spectrum 1 weight 0.10000E+01 volume 0.51526E-03 ppm1 8.189 ppm2 7.678 CV 1 OR { 222} (( segid " " and resid 35 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 224} (( segid " " and resid 35 and name HN )) ( segid " " and resid 35 and name HE% ) 4.600 2.700 1.400 peak 224 spectrum 1 weight 0.10000E+01 volume 0.43606E-03 ppm1 8.189 ppm2 7.012 CV 1 OR { 224} (( segid " " and resid 35 and name HN )) ( segid " " and resid 40 and name HD% ) ASSI { 228} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HA )) 2.500 0.800 0.800 peak 228 spectrum 1 weight 0.10000E+01 volume 0.29035E-02 ppm1 8.190 ppm2 4.366 CV 1 OR { 228} (( segid " " and resid 35 and name HN )) (( segid " " and resid 36 and name HA )) ASSI { 229} (( segid " " and resid 35 and name HN )) (( segid " " and resid 35 and name HB1 )) 3.500 1.500 1.500 peak 229 spectrum 1 weight 0.10000E+01 volume 0.20598E-02 ppm1 8.189 ppm2 3.443 CV 1 OR { 229} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HD1 )) ASSI { 233} (( segid " " and resid 35 and name HN )) (( segid " " and resid 34 and name HB1 )) 2.900 1.100 1.100 peak 233 spectrum 1 weight 0.10000E+01 volume 0.15602E-02 ppm1 8.189 ppm2 2.201 CV 1 OR { 233} (( segid " " and resid 35 and name HN )) (( segid " " and resid 71 and name HG1 )) ASSI { 243} (( segid " " and resid 30 and name HN )) ( segid " " and resid 33 and name HD2%) 4.200 2.200 1.800 peak 243 spectrum 1 weight 0.10000E+01 volume 0.57575E-03 ppm1 8.021 ppm2 1.047 CV 1 OR { 243} (( segid " " and resid 30 and name HN )) ( segid " " and resid 38 and name HG2%) ASSI { 245} (( segid " " and resid 83 and name HN )) ( segid " " and resid 4 and name HD2%) 3.200 1.300 1.300 peak 245 spectrum 1 weight 0.10000E+01 volume 0.10241E-02 ppm1 7.962 ppm2 0.987 CV 1 OR { 245} (( segid " " and resid 83 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 248} (( segid " " and resid 83 and name HN )) ( segid " " and resid 83 and name HB% ) 2.200 0.600 0.600 peak 248 spectrum 1 weight 0.10000E+01 volume 0.10748E-01 ppm1 7.961 ppm2 1.591 CV 1 OR { 248} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HB2 )) ASSI { 251} (( segid " " and resid 30 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.300 1.300 1.300 peak 251 spectrum 1 weight 0.10000E+01 volume 0.27001E-02 ppm1 8.017 ppm2 3.065 CV 1 OR { 251} (( segid " " and resid 30 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 257} (( segid " " and resid 83 and name HN )) (( segid " " and resid 83 and name HA )) 2.600 0.900 0.900 peak 257 spectrum 1 weight 0.10000E+01 volume 0.50194E-02 ppm1 7.959 ppm2 4.291 CV 1 OR { 257} (( segid " " and resid 83 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 259} (( segid " " and resid 83 and name HN )) (( segid " " and resid 81 and name HA )) 4.400 2.400 1.600 peak 259 spectrum 1 weight 0.10000E+01 volume 0.42725E-03 ppm1 7.960 ppm2 4.463 CV 1 OR { 259} (( segid " " and resid 83 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 263} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 263 spectrum 1 weight 0.10000E+01 volume 0.65219E-03 ppm1 8.017 ppm2 7.228 CV 1 OR { 263} (( segid " " and resid 30 and name HN )) ( segid " " and resid 30 and name HE% ) ASSI { 276} (( segid " " and resid 69 and name HN )) (( segid " " and resid 68 and name HB )) 3.000 1.100 1.100 peak 276 spectrum 1 weight 0.10000E+01 volume 0.16169E-02 ppm1 9.172 ppm2 2.316 CV 1 OR { 276} (( segid " " and resid 69 and name HN )) (( segid " " and resid 73 and name HB2 )) ASSI { 278} (( segid " " and resid 69 and name HN )) ( segid " " and resid 70 and name HG2%) 4.500 2.600 1.500 peak 278 spectrum 1 weight 0.10000E+01 volume 0.61994E-03 ppm1 9.175 ppm2 0.998 CV 1 OR { 278} (( segid " " and resid 69 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 279} (( segid " " and resid 47 and name HN )) (( segid " " and resid 44 and name HN )) 3.300 3.300 2.700 peak 279 spectrum 1 weight 0.10000E+01 volume 0.73639E-03 ppm1 8.474 ppm2 8.173 CV 1 OR { 279} (( segid " " and resid 47 and name HN )) (( segid " " and resid 51 and name HN )) ASSI { 281} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.300 0.600 0.600 peak 281 spectrum 1 weight 0.10000E+01 volume 0.72868E-02 ppm1 8.474 ppm2 8.276 CV 1 OR { 281} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 283} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HA )) 2.700 0.900 0.900 peak 283 spectrum 1 weight 0.10000E+01 volume 0.38583E-02 ppm1 8.476 ppm2 4.257 CV 1 OR { 283} (( segid " " and resid 47 and name HN )) (( segid " " and resid 43 and name HA )) ASSI { 287} (( segid " " and resid 47 and name HN )) (( segid " " and resid 47 and name HB1 )) 2.800 1.000 1.000 peak 287 spectrum 1 weight 0.10000E+01 volume 0.94271E-02 ppm1 8.474 ppm2 2.335 CV 1 OR { 287} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB1 )) OR { 287} (( segid " " and resid 47 and name HN )) (( segid " " and resid 46 and name HB2 )) ASSI { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) 3.100 1.200 1.200 peak 292 spectrum 1 weight 0.10000E+01 volume 0.64365E-03 ppm1 6.912 ppm2 0.823 CV 1 OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 75 and name HD1%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 31 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH11)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH21)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH12)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 75 and name HD2%) OR { 292} (( segid " " and resid 72 and name HH22)) ( segid " " and resid 75 and name HD2%) ASSI { 301} (( segid " " and resid 75 and name HN )) (( segid " " and resid 35 and name HZ )) 3.700 1.800 1.800 peak 301 spectrum 1 weight 0.10000E+01 volume 0.19413E-03 ppm1 8.781 ppm2 6.912 CV 1 OR { 301} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HH11)) OR { 301} (( segid " " and resid 75 and name HN )) (( segid " " and resid 72 and name HH12)) ASSI { 305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 74 and name HA )) 3.200 1.300 1.300 peak 305 spectrum 1 weight 0.10000E+01 volume 0.19601E-02 ppm1 8.777 ppm2 4.245 CV 1 OR { 305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 71 and name HA )) OR { 305} (( segid " " and resid 75 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 309} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD1%) 3.300 1.400 1.400 peak 309 spectrum 1 weight 0.10000E+01 volume 0.19628E-02 ppm1 8.776 ppm2 1.083 CV 1 OR { 309} (( segid " " and resid 75 and name HN )) ( segid " " and resid 10 and name HD2%) OR { 309} (( segid " " and resid 75 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 310} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD2%) 3.700 1.700 1.700 peak 310 spectrum 1 weight 0.10000E+01 volume 0.20854E-02 ppm1 8.775 ppm2 0.824 CV 1 OR { 310} (( segid " " and resid 75 and name HN )) ( segid " " and resid 75 and name HD1%) OR { 310} (( segid " " and resid 75 and name HN )) ( segid " " and resid 78 and name HD1%) OR { 310} (( segid " " and resid 75 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 313} (( segid " " and resid 62 and name HN )) ( segid " " and resid 60 and name HG2%) 4.500 2.600 1.500 peak 313 spectrum 1 weight 0.10000E+01 volume 0.36895E-03 ppm1 8.628 ppm2 0.991 CV 1 OR { 313} (( segid " " and resid 62 and name HN )) ( segid " " and resid 64 and name HG1%) OR { 313} (( segid " " and resid 62 and name HN )) ( segid " " and resid 77 and name HD1%) ASSI { 322} (( segid " " and resid 20 and name HN )) (( segid " " and resid 19 and name HN )) 2.900 1.100 1.100 peak 322 spectrum 1 weight 0.10000E+01 volume 0.31793E-02 ppm1 8.534 ppm2 8.256 CV 1 OR { 322} (( segid " " and resid 20 and name HN )) (( segid " " and resid 21 and name HN )) ASSI { 327} (( segid " " and resid 52 and name HN )) (( segid " " and resid 51 and name HB1 )) 3.100 1.200 1.200 peak 327 spectrum 1 weight 0.10000E+01 volume 0.34373E-02 ppm1 8.534 ppm2 2.218 CV 1 OR { 327} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB1 )) ASSI { 328} (( segid " " and resid 52 and name HN )) (( segid " " and resid 52 and name HG )) 2.200 0.600 0.600 peak 328 spectrum 1 weight 0.10000E+01 volume 0.54875E-02 ppm1 8.534 ppm2 2.052 CV 1 OR { 328} (( segid " " and resid 20 and name HN )) (( segid " " and resid 20 and name HB2 )) ASSI { 334} (( segid " " and resid 40 and name HN )) (( segid " " and resid 38 and name HN )) 3.300 1.400 1.400 peak 334 spectrum 1 weight 0.10000E+01 volume 0.13810E-02 ppm1 7.879 ppm2 7.697 CV 1 OR { 334} (( segid " " and resid 40 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 74 and name HA )) 2.500 0.800 0.800 peak 338 spectrum 1 weight 0.10000E+01 volume 0.54216E-02 ppm1 7.904 ppm2 4.247 CV 1 OR { 338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 71 and name HA )) OR { 338} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 339} (( segid " " and resid 40 and name HN )) (( segid " " and resid 36 and name HA )) 3.300 1.400 1.400 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11008E-02 ppm1 7.875 ppm2 4.348 CV 1 OR { 339} (( segid " " and resid 40 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 341} (( segid " " and resid 10 and name HN )) (( segid " " and resid 8 and name HA )) 4.000 2.000 2.000 peak 341 spectrum 1 weight 0.10000E+01 volume 0.59854E-03 ppm1 7.937 ppm2 4.590 CV 1 OR { 341} (( segid " " and resid 10 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 360} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HB1 )) 4.400 2.400 1.600 peak 360 spectrum 1 weight 0.10000E+01 volume 0.60996E-03 ppm1 7.936 ppm2 2.032 CV 1 OR { 360} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 360} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 360} (( segid " " and resid 10 and name HN )) (( segid " " and resid 75 and name HB1 )) ASSI { 363} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD2%) 3.500 1.600 1.600 peak 363 spectrum 1 weight 0.10000E+01 volume 0.27371E-02 ppm1 7.910 ppm2 1.078 CV 1 OR { 363} (( segid " " and resid 74 and name HN )) ( segid " " and resid 68 and name HG1%) OR { 363} (( segid " " and resid 74 and name HN )) ( segid " " and resid 74 and name HD1%) OR { 363} (( segid " " and resid 74 and name HN )) ( segid " " and resid 68 and name HG2%) ASSI { 364} (( segid " " and resid 10 and name HN )) ( segid " " and resid 75 and name HD1%) 4.100 2.100 1.900 peak 364 spectrum 1 weight 0.10000E+01 volume 0.93757E-03 ppm1 7.938 ppm2 0.817 CV 1 OR { 364} (( segid " " and resid 10 and name HN )) ( segid " " and resid 31 and name HD2%) OR { 364} (( segid " " and resid 10 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 378} (( segid " " and resid 52 and name HN )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 378 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 8.540 ppm2 3.930 CV 1 OR { 378} (( segid " " and resid 52 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 387} (( segid " " and resid 52 and name HN )) ( segid " " and resid 48 and name HG2%) 3.900 1.900 1.900 peak 387 spectrum 1 weight 0.10000E+01 volume 0.78506E-03 ppm1 8.540 ppm2 1.085 CV 1 OR { 387} (( segid " " and resid 52 and name HN )) ( segid " " and resid 74 and name HD1%) ASSI { 391} (( segid " " and resid 78 and name HN )) ( segid " " and resid 78 and name HG2%) 4.000 2.000 2.000 peak 391 spectrum 1 weight 0.10000E+01 volume 0.17922E-02 ppm1 8.471 ppm2 0.906 CV 1 OR { 391} (( segid " " and resid 78 and name HN )) ( segid " " and resid 60 and name HD1%) ASSI { 402} (( segid " " and resid 52 and name HN )) (( segid " " and resid 50 and name HN )) 4.100 2.100 1.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.63609E-03 ppm1 8.543 ppm2 8.002 CV 1 OR { 402} (( segid " " and resid 52 and name HN )) (( segid " " and resid 56 and name HN )) ASSI { 404} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 404 spectrum 1 weight 0.10000E+01 volume 0.53187E-02 ppm1 8.409 ppm2 8.265 CV 1 OR { 404} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HN )) ASSI { 407} (( segid " " and resid 45 and name HN )) ( segid " " and resid 40 and name HD% ) 4.100 2.100 1.900 peak 407 spectrum 1 weight 0.10000E+01 volume 0.41285E-03 ppm1 8.413 ppm2 7.006 CV 1 OR { 407} (( segid " " and resid 45 and name HN )) ( segid " " and resid 35 and name HE% ) ASSI { 409} (( segid " " and resid 45 and name HN )) (( segid " " and resid 44 and name HA )) 3.600 1.600 1.600 peak 409 spectrum 1 weight 0.10000E+01 volume 0.84971E-03 ppm1 8.412 ppm2 4.358 CV 1 OR { 409} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 410} (( segid " " and resid 45 and name HN )) (( segid " " and resid 46 and name HA )) 4.200 2.200 1.800 peak 410 spectrum 1 weight 0.10000E+01 volume 0.77955E-03 ppm1 8.414 ppm2 4.312 CV 1 OR { 410} (( segid " " and resid 45 and name HN )) (( segid " " and resid 42 and name HB2 )) ASSI { 412} (( segid " " and resid 45 and name HN )) (( segid " " and resid 40 and name HB1 )) 3.600 1.600 1.600 peak 412 spectrum 1 weight 0.10000E+01 volume 0.72132E-03 ppm1 8.414 ppm2 2.894 CV 1 OR { 412} (( segid " " and resid 45 and name HN )) (( segid " " and resid 41 and name HB2 )) ASSI { 414} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HB1 )) 2.500 0.800 0.800 peak 414 spectrum 1 weight 0.10000E+01 volume 0.53203E-02 ppm1 8.414 ppm2 1.809 CV 1 OR { 414} (( segid " " and resid 45 and name HN )) (( segid " " and resid 43 and name HB2 )) ASSI { 416} (( segid " " and resid 45 and name HN )) ( segid " " and resid 44 and name HB% ) 2.600 0.800 0.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.76664E-02 ppm1 8.414 ppm2 1.616 CV 1 OR { 416} (( segid " " and resid 45 and name HN )) (( segid " " and resid 45 and name HG )) ASSI { 422} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.100 2.100 1.900 peak 422 spectrum 1 weight 0.10000E+01 volume 0.11198E-02 ppm1 8.302 ppm2 0.908 CV 1 OR { 422} (( segid " " and resid 55 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 430} (( segid " " and resid 55 and name HN )) (( segid " " and resid 55 and name HA )) 2.500 0.800 0.800 peak 430 spectrum 1 weight 0.10000E+01 volume 0.69391E-02 ppm1 8.303 ppm2 4.095 CV 1 OR { 430} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB1 )) OR { 430} (( segid " " and resid 55 and name HN )) (( segid " " and resid 54 and name HB2 )) ASSI { 434} (( segid " " and resid 51 and name HN )) (( segid " " and resid 52 and name HN )) 2.600 0.800 0.800 peak 434 spectrum 1 weight 0.10000E+01 volume 0.37382E-02 ppm1 8.167 ppm2 8.539 CV 1 OR { 434} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 440} (( segid " " and resid 8 and name HN )) (( segid " " and resid 7 and name HB )) 3.100 1.200 1.200 peak 440 spectrum 1 weight 0.10000E+01 volume 0.16584E-02 ppm1 8.171 ppm2 4.319 CV 1 OR { 440} (( segid " " and resid 51 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 443} (( segid " " and resid 51 and name HN )) (( segid " " and resid 48 and name HA )) 3.600 1.600 1.600 peak 443 spectrum 1 weight 0.10000E+01 volume 0.10797E-02 ppm1 8.165 ppm2 3.940 CV 1 OR { 443} (( segid " " and resid 51 and name HN )) (( segid " " and resid 49 and name HA )) ASSI { 456} (( segid " " and resid 9 and name HN )) ( segid " " and resid 6 and name HG2%) 3.400 1.500 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.76427E-03 ppm1 7.864 ppm2 1.376 CV 1 OR { 456} (( segid " " and resid 9 and name HN )) ( segid " " and resid 7 and name HG2%) ASSI { 464} (( segid " " and resid 9 and name HN )) (( segid " " and resid 8 and name HA )) 3.600 1.600 1.600 peak 464 spectrum 1 weight 0.10000E+01 volume 0.11773E-02 ppm1 7.865 ppm2 4.597 CV 1 OR { 464} (( segid " " and resid 9 and name HN )) (( segid " " and resid 5 and name HA )) ASSI { 484} (( segid " " and resid 11 and name HN )) (( segid " " and resid 10 and name HG )) 3.600 1.600 1.600 peak 484 spectrum 1 weight 0.10000E+01 volume 0.11235E-02 ppm1 8.757 ppm2 1.914 CV 1 OR { 484} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HG1 )) ASSI { 490} (( segid " " and resid 11 and name HN )) ( segid " " and resid 14 and name HD2%) 4.200 2.200 1.800 peak 490 spectrum 1 weight 0.10000E+01 volume 0.65836E-03 ppm1 8.754 ppm2 0.829 CV 1 OR { 490} (( segid " " and resid 11 and name HN )) ( segid " " and resid 31 and name HD2%) OR { 490} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD2%) OR { 490} (( segid " " and resid 11 and name HN )) ( segid " " and resid 26 and name HD2%) OR { 490} (( segid " " and resid 11 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 491} (( segid " " and resid 53 and name HN )) ( segid " " and resid 58 and name HG2%) 4.500 2.500 1.500 peak 491 spectrum 1 weight 0.10000E+01 volume 0.65903E-03 ppm1 8.605 ppm2 0.983 CV 1 OR { 491} (( segid " " and resid 53 and name HN )) ( segid " " and resid 52 and name HD2%) ASSI { 502} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HA )) 3.300 1.400 1.400 peak 502 spectrum 1 weight 0.10000E+01 volume 0.18007E-02 ppm1 8.604 ppm2 4.331 CV 1 OR { 502} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HA )) ASSI { 504} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB1 )) 4.700 2.700 1.300 peak 504 spectrum 1 weight 0.10000E+01 volume 0.49867E-03 ppm1 8.605 ppm2 4.097 CV 1 OR { 504} (( segid " " and resid 53 and name HN )) (( segid " " and resid 54 and name HB2 )) OR { 504} (( segid " " and resid 53 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 504} (( segid " " and resid 53 and name HN )) (( segid " " and resid 55 and name HA )) ASSI { 506} (( segid " " and resid 53 and name HN )) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 506 spectrum 1 weight 0.10000E+01 volume 0.33809E-03 ppm1 8.601 ppm2 8.002 CV 1 OR { 506} (( segid " " and resid 53 and name HN )) (( segid " " and resid 50 and name HN )) ASSI { 512} (( segid " " and resid 15 and name HN )) (( segid " " and resid 12 and name HA )) 3.300 1.400 1.400 peak 512 spectrum 1 weight 0.10000E+01 volume 0.14277E-02 ppm1 8.432 ppm2 4.034 CV 1 OR { 512} (( segid " " and resid 15 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 513} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HA )) 3.400 1.400 1.400 peak 513 spectrum 1 weight 0.10000E+01 volume 0.94385E-03 ppm1 8.430 ppm2 4.335 CV 1 OR { 513} (( segid " " and resid 15 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 517} (( segid " " and resid 15 and name HN )) (( segid " " and resid 14 and name HB2 )) 2.800 1.000 1.000 peak 517 spectrum 1 weight 0.10000E+01 volume 0.20553E-02 ppm1 8.433 ppm2 1.457 CV 1 OR { 517} (( segid " " and resid 15 and name HN )) (( segid " " and resid 11 and name HG1 )) ASSI { 523} (( segid " " and resid 14 and name HN )) ( segid " " and resid 48 and name HG2%) 3.700 1.800 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.13249E-02 ppm1 8.290 ppm2 1.113 CV 1 OR { 523} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG2%) OR { 523} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 524} (( segid " " and resid 14 and name HN )) ( segid " " and resid 10 and name HD1%) 4.100 2.100 1.900 peak 524 spectrum 1 weight 0.10000E+01 volume 0.12058E-02 ppm1 8.290 ppm2 1.045 CV 1 OR { 524} (( segid " " and resid 14 and name HN )) ( segid " " and resid 15 and name HG1%) ASSI { 526} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HB1 )) 3.000 1.200 1.200 peak 526 spectrum 1 weight 0.10000E+01 volume 0.57308E-02 ppm1 8.291 ppm2 1.930 CV 1 OR { 526} (( segid " " and resid 14 and name HN )) (( segid " " and resid 10 and name HG )) ASSI { 531} (( segid " " and resid 14 and name HN )) (( segid " " and resid 12 and name HA )) 4.200 2.200 1.800 peak 531 spectrum 1 weight 0.10000E+01 volume 0.40182E-03 ppm1 8.288 ppm2 4.023 CV 1 OR { 531} (( segid " " and resid 14 and name HN )) (( segid " " and resid 17 and name HB2 )) ASSI { 534} (( segid " " and resid 14 and name HN )) (( segid " " and resid 14 and name HA )) 2.600 0.900 0.900 peak 534 spectrum 1 weight 0.10000E+01 volume 0.35208E-02 ppm1 8.292 ppm2 4.332 CV 1 OR { 534} (( segid " " and resid 14 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 539} (( segid " " and resid 46 and name HN )) (( segid " " and resid 45 and name HN )) 2.200 0.600 0.600 peak 539 spectrum 1 weight 0.10000E+01 volume 0.83541E-02 ppm1 8.262 ppm2 8.434 CV 1 OR { 539} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HN )) ASSI { 542} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HA )) 2.600 0.800 0.800 peak 542 spectrum 1 weight 0.10000E+01 volume 0.48082E-02 ppm1 8.262 ppm2 4.190 CV 1 OR { 542} (( segid " " and resid 46 and name HN )) (( segid " " and resid 42 and name HA )) ASSI { 548} (( segid " " and resid 16 and name HN )) (( segid " " and resid 15 and name HB )) 2.300 0.600 0.600 peak 548 spectrum 1 weight 0.10000E+01 volume 0.76654E-02 ppm1 8.262 ppm2 2.241 CV 1 OR { 548} (( segid " " and resid 16 and name HN )) (( segid " " and resid 16 and name HB1 )) ASSI { 555} (( segid " " and resid 16 and name HN )) ( segid " " and resid 15 and name HG1%) 3.300 1.300 1.300 peak 555 spectrum 1 weight 0.10000E+01 volume 0.22493E-02 ppm1 8.259 ppm2 1.027 CV 1 OR { 555} (( segid " " and resid 46 and name HN )) ( segid " " and resid 43 and name HD1%) ASSI { 558} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD1%) 3.400 1.400 1.400 peak 558 spectrum 1 weight 0.10000E+01 volume 0.23929E-02 ppm1 8.231 ppm2 0.990 CV 1 OR { 558} (( segid " " and resid 82 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 558} (( segid " " and resid 82 and name HN )) ( segid " " and resid 4 and name HD2%) ASSI { 559} (( segid " " and resid 82 and name HN )) ( segid " " and resid 78 and name HG2%) 3.500 1.500 1.500 peak 559 spectrum 1 weight 0.10000E+01 volume 0.82569E-03 ppm1 8.231 ppm2 0.905 CV 1 OR { 559} (( segid " " and resid 82 and name HN )) ( segid " " and resid 58 and name HG1%) OR { 559} (( segid " " and resid 82 and name HN )) ( segid " " and resid 4 and name HD1%) ASSI { 564} (( segid " " and resid 82 and name HN )) (( segid " " and resid 82 and name HA )) 3.500 1.500 1.500 peak 564 spectrum 1 weight 0.10000E+01 volume 0.92312E-03 ppm1 8.231 ppm2 4.280 CV 1 OR { 564} (( segid " " and resid 82 and name HN )) (( segid " " and resid 83 and name HA )) ASSI { 567} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HN )) 2.600 0.800 0.800 peak 567 spectrum 1 weight 0.10000E+01 volume 0.43205E-02 ppm1 8.005 ppm2 8.543 CV 1 OR { 567} (( segid " " and resid 50 and name HN )) (( segid " " and resid 52 and name HN )) ASSI { 574} (( segid " " and resid 50 and name HN )) (( segid " " and resid 49 and name HA )) 3.400 1.400 1.400 peak 574 spectrum 1 weight 0.10000E+01 volume 0.14231E-02 ppm1 8.006 ppm2 3.929 CV 1 OR { 574} (( segid " " and resid 50 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 575} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HB2 )) 4.100 2.100 1.900 peak 575 spectrum 1 weight 0.10000E+01 volume 0.52750E-03 ppm1 8.007 ppm2 2.342 CV 1 OR { 575} (( segid " " and resid 50 and name HN )) (( segid " " and resid 47 and name HB1 )) OR { 575} (( segid " " and resid 50 and name HN )) (( segid " " and resid 53 and name HG2 )) ASSI { 581} (( segid " " and resid 13 and name HN )) ( segid " " and resid 48 and name HG2%) 4.700 2.700 1.300 peak 581 spectrum 1 weight 0.10000E+01 volume 0.55883E-03 ppm1 7.717 ppm2 1.087 CV 1 OR { 581} (( segid " " and resid 13 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 583} (( segid " " and resid 13 and name HN )) ( segid " " and resid 14 and name HD2%) 5.000 3.100 1.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.28618E-03 ppm1 7.715 ppm2 0.837 CV 1 OR { 583} (( segid " " and resid 13 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 586} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB2 )) 2.700 0.900 0.900 peak 586 spectrum 1 weight 0.10000E+01 volume 0.40166E-02 ppm1 7.716 ppm2 2.025 CV 1 OR { 586} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HB1 )) OR { 586} (( segid " " and resid 13 and name HN )) (( segid " " and resid 11 and name HB1 )) ASSI { 587} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HG1 )) 3.800 1.800 1.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.11484E-02 ppm1 7.716 ppm2 1.925 CV 1 OR { 587} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HG )) OR { 587} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HB1 )) ASSI { 600} (( segid " " and resid 48 and name HN )) (( segid " " and resid 48 and name HA )) 2.600 0.800 0.800 peak 600 spectrum 1 weight 0.10000E+01 volume 0.34986E-02 ppm1 8.285 ppm2 3.957 CV 1 OR { 600} (( segid " " and resid 48 and name HN )) (( segid " " and resid 45 and name HA )) ASSI { 602} (( segid " " and resid 48 and name HN )) (( segid " " and resid 44 and name HA )) 4.100 2.100 1.900 peak 602 spectrum 1 weight 0.10000E+01 volume 0.82446E-03 ppm1 8.287 ppm2 4.344 CV 1 OR { 602} (( segid " " and resid 48 and name HN )) (( segid " " and resid 14 and name HA )) OR { 602} (( segid " " and resid 48 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 612} (( segid " " and resid 67 and name HN )) ( segid " " and resid 64 and name HG1%) 3.900 1.900 1.900 peak 612 spectrum 1 weight 0.10000E+01 volume 0.59885E-03 ppm1 7.920 ppm2 0.992 CV 1 OR { 612} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 612} (( segid " " and resid 67 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 629} (( segid " " and resid 37 and name HN )) (( segid " " and resid 39 and name HN )) 3.800 1.800 1.800 peak 629 spectrum 1 weight 0.10000E+01 volume 0.83557E-03 ppm1 7.685 ppm2 7.865 CV 1 OR { 629} (( segid " " and resid 37 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 630} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HA )) 3.500 1.500 1.500 peak 630 spectrum 1 weight 0.10000E+01 volume 0.11096E-02 ppm1 7.690 ppm2 4.350 CV 1 OR { 630} (( segid " " and resid 37 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 633} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB1 )) 3.500 1.500 1.500 peak 633 spectrum 1 weight 0.10000E+01 volume 0.13860E-02 ppm1 7.689 ppm2 2.216 CV 1 OR { 633} (( segid " " and resid 37 and name HN )) (( segid " " and resid 36 and name HB1 )) ASSI { 635} (( segid " " and resid 37 and name HN )) (( segid " " and resid 34 and name HB2 )) 3.000 1.100 1.100 peak 635 spectrum 1 weight 0.10000E+01 volume 0.12788E-02 ppm1 7.688 ppm2 1.810 CV 1 OR { 635} (( segid " " and resid 37 and name HN )) (( segid " " and resid 33 and name HB1 )) ASSI { 642} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HB1 )) 3.000 1.200 1.200 peak 642 spectrum 1 weight 0.10000E+01 volume 0.51593E-02 ppm1 7.600 ppm2 1.650 CV 1 OR { 642} (( segid " " and resid 31 and name HN )) (( segid " " and resid 72 and name HB2 )) ASSI { 644} (( segid " " and resid 31 and name HN )) (( segid " " and resid 31 and name HA )) 2.600 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.23228E-02 ppm1 7.599 ppm2 3.378 CV 1 OR { 644} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 645} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HB2 )) 3.700 1.700 1.700 peak 645 spectrum 1 weight 0.10000E+01 volume 0.77040E-03 ppm1 7.600 ppm2 3.067 CV 1 OR { 645} (( segid " " and resid 31 and name HN )) (( segid " " and resid 71 and name HD2 )) OR { 645} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HB1 )) ASSI { 649} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 2.100 0.500 0.500 peak 649 spectrum 1 weight 0.10000E+01 volume 0.67832E-02 ppm1 7.600 ppm2 8.017 CV 1 OR { 649} (( segid " " and resid 31 and name HN )) (( segid " " and resid 32 and name HN )) ASSI { 670} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HA )) 3.700 1.700 1.700 peak 670 spectrum 1 weight 0.10000E+01 volume 0.65368E-03 ppm1 8.987 ppm2 4.241 CV 1 OR { 670} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HA )) ASSI { 675} (( segid " " and resid 72 and name HN )) (( segid " " and resid 71 and name HD2 )) 3.400 1.400 1.400 peak 675 spectrum 1 weight 0.10000E+01 volume 0.71618E-03 ppm1 8.984 ppm2 3.054 CV 1 OR { 675} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HD2 )) ASSI { 679} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HB2 )) 2.400 0.700 0.700 peak 679 spectrum 1 weight 0.10000E+01 volume 0.43048E-02 ppm1 8.983 ppm2 1.632 CV 1 OR { 679} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB1 )) OR { 679} (( segid " " and resid 72 and name HN )) (( segid " " and resid 72 and name HG1 )) ASSI { 684} (( segid " " and resid 72 and name HN )) ( segid " " and resid 70 and name HG2%) 3.800 1.800 1.800 peak 684 spectrum 1 weight 0.10000E+01 volume 0.44507E-03 ppm1 8.980 ppm2 1.024 CV 1 OR { 684} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD1%) OR { 684} (( segid " " and resid 72 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 685} (( segid " " and resid 72 and name HN )) (( segid " " and resid 31 and name HB2 )) 4.000 2.000 2.000 peak 685 spectrum 1 weight 0.10000E+01 volume 0.13408E-02 ppm1 8.982 ppm2 1.084 CV 1 OR { 685} (( segid " " and resid 72 and name HN )) ( segid " " and resid 10 and name HD2%) OR { 685} (( segid " " and resid 72 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 688} (( segid " " and resid 79 and name HN )) ( segid " " and resid 78 and name HD1%) 3.100 1.200 1.200 peak 688 spectrum 1 weight 0.10000E+01 volume 0.11551E-02 ppm1 8.900 ppm2 0.809 CV 1 OR { 688} (( segid " " and resid 79 and name HN )) ( segid " " and resid 75 and name HD1%) ASSI { 704} (( segid " " and resid 79 and name HN )) (( segid " " and resid 77 and name HN )) 4.000 2.000 2.000 peak 704 spectrum 1 weight 0.10000E+01 volume 0.64684E-03 ppm1 8.900 ppm2 7.941 CV 1 OR { 704} (( segid " " and resid 79 and name HN )) (( segid " " and resid 83 and name HN )) ASSI { 705} (( segid " " and resid 79 and name HN )) (( segid " " and resid 79 and name HD22)) 3.500 1.500 1.500 peak 705 spectrum 1 weight 0.10000E+01 volume 0.14192E-02 ppm1 8.898 ppm2 7.670 CV 1 OR { 705} (( segid " " and resid 79 and name HN )) (( segid " " and resid 81 and name HN )) ASSI { 722} (( segid " " and resid 76 and name HN )) (( segid " " and resid 73 and name HA )) 3.100 1.200 1.200 peak 722 spectrum 1 weight 0.10000E+01 volume 0.18359E-02 ppm1 8.429 ppm2 4.238 CV 1 OR { 722} (( segid " " and resid 76 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 730} (( segid " " and resid 76 and name HN )) (( segid " " and resid 75 and name HB2 )) 3.400 1.400 1.400 peak 730 spectrum 1 weight 0.10000E+01 volume 0.27273E-02 ppm1 8.430 ppm2 1.647 CV 1 OR { 730} (( segid " " and resid 59 and name HN )) ( segid " " and resid 81 and name HB% ) ASSI { 731} (( segid " " and resid 76 and name HN )) ( segid " " and resid 75 and name HD1%) 4.200 2.200 1.800 peak 731 spectrum 1 weight 0.10000E+01 volume 0.10895E-02 ppm1 8.429 ppm2 0.814 CV 1 OR { 731} (( segid " " and resid 59 and name HN )) ( segid " " and resid 78 and name HD1%) OR { 731} (( segid " " and resid 76 and name HN )) ( segid " " and resid 78 and name HD1%) ASSI { 733} (( segid " " and resid 59 and name HN )) ( segid " " and resid 58 and name HG1%) 4.300 2.400 1.700 peak 733 spectrum 1 weight 0.10000E+01 volume 0.11953E-02 ppm1 8.426 ppm2 0.926 CV 1 OR { 733} (( segid " " and resid 59 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 739} (( segid " " and resid 84 and name HN )) (( segid " " and resid 81 and name HA )) 3.900 1.900 1.900 peak 739 spectrum 1 weight 0.10000E+01 volume 0.73377E-03 ppm1 7.865 ppm2 4.463 CV 1 OR { 739} (( segid " " and resid 84 and name HN )) (( segid " " and resid 85 and name HA )) ASSI { 741} (( segid " " and resid 84 and name HN )) (( segid " " and resid 83 and name HA )) 3.000 1.100 1.100 peak 741 spectrum 1 weight 0.10000E+01 volume 0.32449E-02 ppm1 7.863 ppm2 4.294 CV 1 OR { 741} (( segid " " and resid 84 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 745} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HA )) 4.800 2.900 1.200 peak 745 spectrum 1 weight 0.10000E+01 volume 0.30422E-03 ppm1 9.630 ppm2 4.677 CV 1 OR { 745} (( segid " " and resid 36 and name HN )) (( segid " " and resid 40 and name HA )) ASSI { 746} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HA )) 2.900 1.000 1.000 peak 746 spectrum 1 weight 0.10000E+01 volume 0.23096E-02 ppm1 9.626 ppm2 4.348 CV 1 OR { 746} (( segid " " and resid 36 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 747} (( segid " " and resid 36 and name HN )) (( segid " " and resid 37 and name HN )) 2.800 1.000 1.000 peak 747 spectrum 1 weight 0.10000E+01 volume 0.22487E-02 ppm1 9.629 ppm2 7.688 CV 1 OR { 747} (( segid " " and resid 36 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 752} (( segid " " and resid 36 and name HN )) (( segid " " and resid 36 and name HB1 )) 2.700 0.900 0.900 peak 752 spectrum 1 weight 0.10000E+01 volume 0.45294E-02 ppm1 9.629 ppm2 2.213 CV 1 OR { 752} (( segid " " and resid 36 and name HN )) (( segid " " and resid 34 and name HB1 )) ASSI { 756} (( segid " " and resid 34 and name HN )) ( segid " " and resid 33 and name HD1%) 3.600 1.600 1.600 peak 756 spectrum 1 weight 0.10000E+01 volume 0.25028E-02 ppm1 8.434 ppm2 0.946 CV 1 OR { 756} (( segid " " and resid 34 and name HN )) ( segid " " and resid 38 and name HD1%) ASSI { 760} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HB1 )) 2.400 0.700 0.700 peak 760 spectrum 1 weight 0.10000E+01 volume 0.48492E-02 ppm1 8.434 ppm2 1.806 CV 1 OR { 760} (( segid " " and resid 34 and name HN )) (( segid " " and resid 34 and name HB2 )) ASSI { 768} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 4.600 2.700 1.400 peak 768 spectrum 1 weight 0.10000E+01 volume 0.53548E-03 ppm1 8.434 ppm2 7.247 CV 1 OR { 768} (( segid " " and resid 34 and name HN )) ( segid " " and resid 35 and name HD% ) ASSI { 769} (( segid " " and resid 34 and name HN )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 769 spectrum 1 weight 0.10000E+01 volume 0.83145E-03 ppm1 8.435 ppm2 7.692 CV 1 OR { 769} (( segid " " and resid 34 and name HN )) (( segid " " and resid 38 and name HN )) ASSI { 777} (( segid " " and resid 63 and name HN )) (( segid " " and resid 63 and name HB2 )) 2.900 1.100 1.100 peak 777 spectrum 1 weight 0.10000E+01 volume 0.27840E-02 ppm1 8.407 ppm2 2.746 CV 1 OR { 777} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB2 )) OR { 777} (( segid " " and resid 63 and name HN )) (( segid " " and resid 62 and name HB1 )) ASSI { 782} (( segid " " and resid 73 and name HN )) ( segid " " and resid 70 and name HG2%) 3.700 1.700 1.700 peak 782 spectrum 1 weight 0.10000E+01 volume 0.12709E-02 ppm1 7.761 ppm2 1.000 CV 1 OR { 782} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG1%) OR { 782} (( segid " " and resid 68 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 782} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HG )) OR { 782} (( segid " " and resid 68 and name HN )) ( segid " " and resid 64 and name HG2%) OR { 782} (( segid " " and resid 73 and name HN )) ( segid " " and resid 77 and name HD2%) OR { 782} (( segid " " and resid 68 and name HN )) (( segid " " and resid 74 and name HG )) ASSI { 783} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HB1 )) 3.800 1.800 1.800 peak 783 spectrum 1 weight 0.10000E+01 volume 0.11056E-02 ppm1 7.759 ppm2 2.033 CV 1 OR { 783} (( segid " " and resid 73 and name HN )) (( segid " " and resid 71 and name HB2 )) ASSI { 789} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HG2 )) 2.800 1.000 1.000 peak 789 spectrum 1 weight 0.10000E+01 volume 0.34145E-02 ppm1 7.779 ppm2 2.466 CV 1 OR { 789} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HB1 )) ASSI { 791} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.600 0.900 0.900 peak 791 spectrum 1 weight 0.10000E+01 volume 0.31648E-02 ppm1 7.767 ppm2 2.306 CV 1 OR { 791} (( segid " " and resid 68 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 794} (( segid " " and resid 73 and name HN )) (( segid " " and resid 73 and name HA )) 2.700 0.900 0.900 peak 794 spectrum 1 weight 0.10000E+01 volume 0.38588E-02 ppm1 7.778 ppm2 4.232 CV 1 OR { 794} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 799} (( segid " " and resid 68 and name HN )) (( segid " " and resid 67 and name HN )) 2.200 0.600 0.600 peak 799 spectrum 1 weight 0.10000E+01 volume 0.76782E-02 ppm1 7.759 ppm2 7.917 CV 1 OR { 799} (( segid " " and resid 73 and name HN )) (( segid " " and resid 74 and name HN )) ASSI { 801} (( segid " " and resid 68 and name HN )) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 801 spectrum 1 weight 0.10000E+01 volume 0.87322E-03 ppm1 7.761 ppm2 9.170 CV 1 OR { 801} (( segid " " and resid 73 and name HN )) (( segid " " and resid 69 and name HN )) ASSI { 808} (( segid " " and resid 7 and name HN )) ( segid " " and resid 75 and name HD1%) 3.600 1.600 1.600 peak 808 spectrum 1 weight 0.10000E+01 volume 0.98289E-03 ppm1 8.831 ppm2 0.816 CV 1 OR { 808} (( segid " " and resid 7 and name HN )) ( segid " " and resid 31 and name HD2%) ASSI { 809} (( segid " " and resid 7 and name HN )) ( segid " " and resid 7 and name HG2%) 3.000 1.100 1.100 peak 809 spectrum 1 weight 0.10000E+01 volume 0.41498E-02 ppm1 8.829 ppm2 1.372 CV 1 OR { 809} (( segid " " and resid 7 and name HN )) ( segid " " and resid 6 and name HG2%) ASSI { 841} (( segid " " and resid 12 and name HN )) (( segid " " and resid 11 and name HB1 )) 2.200 0.600 0.600 peak 841 spectrum 1 weight 0.10000E+01 volume 0.82878E-02 ppm1 8.088 ppm2 2.026 CV 1 OR { 841} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB2 )) OR { 841} (( segid " " and resid 12 and name HN )) (( segid " " and resid 12 and name HB1 )) ASSI { 850} (( segid " " and resid 12 and name HN )) ( segid " " and resid 15 and name HG2%) 4.300 2.300 1.700 peak 850 spectrum 1 weight 0.10000E+01 volume 0.52328E-03 ppm1 8.086 ppm2 1.115 CV 1 OR { 850} (( segid " " and resid 12 and name HN )) ( segid " " and resid 10 and name HD2%) ASSI { 851} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.400 0.700 0.700 peak 851 spectrum 1 weight 0.10000E+01 volume 0.49014E-02 ppm1 7.696 ppm2 7.864 CV 1 OR { 851} (( segid " " and resid 38 and name HN )) (( segid " " and resid 40 and name HN )) ASSI { 852} (( segid " " and resid 38 and name HN )) (( segid " " and resid 38 and name HA )) 2.800 1.000 1.000 peak 852 spectrum 1 weight 0.10000E+01 volume 0.39436E-02 ppm1 7.696 ppm2 4.388 CV 1 OR { 852} (( segid " " and resid 38 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 862} (( segid " " and resid 6 and name HN )) ( segid " " and resid 75 and name HD1%) 4.300 2.400 1.700 peak 862 spectrum 1 weight 0.10000E+01 volume 0.46141E-03 ppm1 9.183 ppm2 0.814 CV 1 OR { 862} (( segid " " and resid 6 and name HN )) ( segid " " and resid 52 and name HD1%) ASSI { 875} (( segid " " and resid 42 and name HN )) (( segid " " and resid 41 and name HN )) 3.800 1.800 1.800 peak 875 spectrum 1 weight 0.10000E+01 volume 0.94292E-03 ppm1 8.962 ppm2 8.251 CV 1 OR { 875} (( segid " " and resid 42 and name HN )) (( segid " " and resid 46 and name HN )) ASSI { 881} (( segid " " and resid 42 and name HN )) (( segid " " and resid 45 and name HB1 )) 4.700 2.800 1.300 peak 881 spectrum 1 weight 0.10000E+01 volume 0.49142E-03 ppm1 8.962 ppm2 1.799 CV 1 OR { 881} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HB2 )) OR { 881} (( segid " " and resid 42 and name HN )) (( segid " " and resid 43 and name HG )) ASSI { 882} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name H31%) 5.100 3.300 0.900 peak 882 spectrum 1 weight 0.10000E+01 volume 0.43184E-03 ppm1 8.960 ppm2 1.031 CV 1 OR { 882} (( segid " " and resid 42 and name HN )) ( segid " " and resid 43 and name HD1%) OR { 882} (( segid " " and resid 42 and name HN )) ( segid " " and resid 42 and name H30%) ASSI { 894} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HN )) 2.600 0.900 0.900 peak 894 spectrum 1 weight 0.10000E+01 volume 0.34014E-02 ppm1 7.795 ppm2 8.263 CV 1 OR { 894} (( segid " " and resid 17 and name HN )) (( segid " " and resid 19 and name HN )) ASSI { 896} (( segid " " and resid 17 and name HN )) (( segid " " and resid 14 and name HA )) 3.300 1.300 1.300 peak 896 spectrum 1 weight 0.10000E+01 volume 0.11934E-02 ppm1 7.793 ppm2 4.347 CV 1 OR { 896} (( segid " " and resid 17 and name HN )) (( segid " " and resid 13 and name HA )) ASSI { 900} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HA )) 3.800 1.800 1.800 peak 900 spectrum 1 weight 0.10000E+01 volume 0.83886E-03 ppm1 7.797 ppm2 3.929 CV 1 OR { 900} (( segid " " and resid 17 and name HN )) (( segid " " and resid 48 and name HA )) ASSI { 902} (( segid " " and resid 17 and name HN )) (( segid " " and resid 16 and name HG2 )) 3.300 3.300 2.700 peak 902 spectrum 1 weight 0.10000E+01 volume 0.52272E-03 ppm1 7.793 ppm2 2.373 CV 1 OR { 902} (( segid " " and resid 17 and name HN )) (( segid " " and resid 20 and name HG1 )) OR { 902} (( segid " " and resid 17 and name HN )) (( segid " " and resid 20 and name HG2 )) ASSI { 912} (( segid " " and resid 54 and name HN )) (( segid " " and resid 54 and name HA )) 2.600 0.800 0.800 peak 912 spectrum 1 weight 0.10000E+01 volume 0.50256E-02 ppm1 8.101 ppm2 4.333 CV 1 OR { 912} (( segid " " and resid 54 and name HN )) (( segid " " and resid 50 and name HA )) ASSI { 925} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HA )) 3.300 1.400 1.400 peak 925 spectrum 1 weight 0.10000E+01 volume 0.24377E-02 ppm1 8.018 ppm2 4.100 CV 1 OR { 925} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA2 )) OR { 925} (( segid " " and resid 56 and name HN )) (( segid " " and resid 57 and name HA1 )) ASSI { 931} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG2%) 4.000 2.000 2.000 peak 931 spectrum 1 weight 0.10000E+01 volume 0.66268E-03 ppm1 8.018 ppm2 0.982 CV 1 OR { 931} (( segid " " and resid 56 and name HN )) ( segid " " and resid 52 and name HD2%) OR { 931} (( segid " " and resid 56 and name HN )) ( segid " " and resid 82 and name HD2%) ASSI { 932} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HG2 )) 4.000 2.000 2.000 peak 932 spectrum 1 weight 0.10000E+01 volume 0.86293E-03 ppm1 8.019 ppm2 0.908 CV 1 OR { 932} (( segid " " and resid 56 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 933} (( segid " " and resid 58 and name HN )) ( segid " " and resid 58 and name HG1%) 2.600 0.800 0.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.50621E-02 ppm1 7.250 ppm2 0.914 CV 1 OR { 933} (( segid " " and resid 58 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 952} (( segid " " and resid 32 and name HN )) (( segid " " and resid 31 and name HA )) 3.700 1.700 1.700 peak 952 spectrum 1 weight 0.10000E+01 volume 0.54540E-03 ppm1 8.014 ppm2 3.376 CV 1 OR { 952} (( segid " " and resid 32 and name HN )) (( segid " " and resid 30 and name HB1 )) ASSI { 979} (( segid " " and resid 80 and name HN )) (( segid " " and resid 77 and name HA )) 3.300 1.300 1.300 peak 979 spectrum 1 weight 0.10000E+01 volume 0.12252E-02 ppm1 8.275 ppm2 4.273 CV 1 OR { 979} (( segid " " and resid 80 and name HN )) (( segid " " and resid 82 and name HA )) ASSI { 984} (( segid " " and resid 80 and name HN )) ( segid " " and resid 81 and name HB% ) 4.100 2.100 1.900 peak 984 spectrum 1 weight 0.10000E+01 volume 0.12000E-02 ppm1 8.274 ppm2 1.615 CV 1 OR { 984} (( segid " " and resid 80 and name HN )) ( segid " " and resid 83 and name HB% ) ASSI { 986} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD2%) 3.900 1.900 1.900 peak 986 spectrum 1 weight 0.10000E+01 volume 0.56207E-03 ppm1 8.276 ppm2 0.991 CV 1 OR { 986} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD2%) OR { 986} (( segid " " and resid 80 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 986} (( segid " " and resid 80 and name HN )) ( segid " " and resid 82 and name HD1%) ASSI { 987} (( segid " " and resid 80 and name HN )) ( segid " " and resid 78 and name HG2%) 3.600 1.600 1.600 peak 987 spectrum 1 weight 0.10000E+01 volume 0.52910E-03 ppm1 8.278 ppm2 0.912 CV 1 OR { 987} (( segid " " and resid 80 and name HN )) ( segid " " and resid 4 and name HD1%) OR { 987} (( segid " " and resid 80 and name HN )) ( segid " " and resid 58 and name HG1%) ASSI { 990} (( segid " " and resid 57 and name HN )) ( segid " " and resid 58 and name HG1%) 4.000 2.000 2.000 peak 990 spectrum 1 weight 0.10000E+01 volume 0.72919E-03 ppm1 7.970 ppm2 0.915 CV 1 OR { 990} (( segid " " and resid 57 and name HN )) ( segid " " and resid 78 and name HG2%) ASSI { 1033} (( segid " " and resid 72 and name HE )) ( segid " " and resid 31 and name HD2%) 3.200 1.300 1.300 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.46748E-03 ppm1 9.053 ppm2 0.819 CV 1 OR { 1033} (( segid " " and resid 72 and name HE )) ( segid " " and resid 75 and name HD1%) ASSI { 1039} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 4 and name HD2%) 3.200 1.300 1.300 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.48339E-03 ppm1 7.662 ppm2 0.980 CV 1 OR { 1039} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 82 and name HD2%) OR { 1039} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 82 and name HD1%) OR { 1039} (( segid " " and resid 79 and name HD22)) ( segid " " and resid 52 and name HD2%) ASSI { 1045} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 5 and name HB2 )) 4.100 2.100 1.900 peak 1045 spectrum 1 weight 0.10000E+01 volume 0.10200E-02 ppm1 7.659 ppm2 1.476 CV 1 OR { 1045} (( segid " " and resid 79 and name HD22)) (( segid " " and resid 4 and name HB2 )) ASSI { 1056} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 4 and name HB2 )) 4.300 2.300 1.700 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.15414E-02 ppm1 7.487 ppm2 1.473 CV 1 OR { 1056} (( segid " " and resid 79 and name HD21)) (( segid " " and resid 5 and name HB2 )) ASSI { 1061} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG2%) 3.800 1.800 1.800 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.21056E-02 ppm1 7.408 ppm2 1.085 CV 1 OR { 1061} (( segid " " and resid 70 and name HN )) ( segid " " and resid 68 and name HG1%) OR { 1061} (( segid " " and resid 70 and name HN )) ( segid " " and resid 74 and name HD2%) ASSI { 1068} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HB2 )) 2.900 1.000 1.000 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.24581E-02 ppm1 7.407 ppm2 2.308 CV 1 OR { 1068} (( segid " " and resid 70 and name HN )) (( segid " " and resid 68 and name HB )) ASSI { 1070} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HA )) 4.800 2.900 1.200 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.32106E-03 ppm1 7.404 ppm2 4.239 CV 1 OR { 1070} (( segid " " and resid 70 and name HN )) (( segid " " and resid 73 and name HA )) OR { 1070} (( segid " " and resid 70 and name HN )) (( segid " " and resid 74 and name HA )) ASSI { 1097} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HA )) 3.300 1.400 1.400 peak 1097 spectrum 1 weight 0.10000E+01 volume 0.11864E-02 ppm1 7.861 ppm2 4.395 CV 1 OR { 1097} (( segid " " and resid 39 and name HN )) (( segid " " and resid 35 and name HA )) ASSI { 1103} (( segid " " and resid 39 and name HN )) (( segid " " and resid 38 and name HN )) 2.400 0.700 0.700 peak 1103 spectrum 1 weight 0.10000E+01 volume 0.50341E-02 ppm1 7.860 ppm2 7.692 CV 1 OR { 1103} (( segid " " and resid 39 and name HN )) (( segid " " and resid 37 and name HN )) ASSI { 1106} (( segid " " and resid 66 and name HN )) (( segid " " and resid 63 and name HA )) 4.200 2.200 1.800 peak 1106 spectrum 1 weight 0.10000E+01 volume 0.45016E-03 ppm1 8.197 ppm2 4.624 CV 1 OR { 1106} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HA )) ASSI { 1109} (( segid " " and resid 66 and name HN )) ( segid " " and resid 64 and name HG1%) 4.000 2.000 2.000 peak 1109 spectrum 1 weight 0.10000E+01 volume 0.66001E-03 ppm1 8.194 ppm2 0.985 CV 1 OR { 1109} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD1%) OR { 1109} (( segid " " and resid 66 and name HN )) ( segid " " and resid 77 and name HD2%) ASSI { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H6A )) 3.400 1.500 1.500 peak 9 spectrum 1 weight 0.10000E+01 volume 0.21603E-02 ppm1 0.986 ppm2 1.164 CV 1 OR { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H6B )) OR { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H4A )) OR { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H5B )) OR { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H5A )) OR { 9} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H4B )) OR { 9} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H4B )) OR { 9} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H4A )) OR { 9} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H5B )) OR { 9} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 42 and name H4A )) OR { 9} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H5A )) OR { 9} ( segid " " and resid 64 and name HG1%) (( segid " " and resid 42 and name H4B )) ASSI { 14} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H3B )) 4.800 2.900 1.200 peak 14 spectrum 1 weight 0.10000E+01 volume 0.61891E-03 ppm1 0.986 ppm2 1.511 CV 1 OR { 14} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H3A )) OR { 14} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H3A )) OR { 14} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H3B )) ASSI { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H6A )) 4.400 2.400 1.600 peak 16 spectrum 1 weight 0.10000E+01 volume 0.16488E-02 ppm1 3.933 ppm2 1.163 CV 1 OR { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H6B )) OR { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H5B )) OR { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H5A )) OR { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H4A )) OR { 16} (( segid " " and resid 49 and name HA )) (( segid " " and resid 42 and name H4B )) OR { 16} (( segid " " and resid 48 and name HA )) (( segid " " and resid 42 and name H6B )) OR { 16} (( segid " " and resid 48 and name HA )) (( segid " " and resid 42 and name H6A )) ASSI { 22} (( segid " " and resid 42 and name H41A)) ( segid " " and resid 42 and name H30%) 3.600 1.700 1.700 peak 22 spectrum 1 weight 0.10000E+01 volume 0.24328E-02 ppm1 8.267 ppm2 1.009 CV 1 OR { 22} (( segid " " and resid 46 and name HN )) ( segid " " and resid 42 and name H30%) ASSI { 31} (( segid " " and resid 43 and name HA )) ( segid " " and resid 42 and name H30%) 3.000 1.200 1.200 peak 31 spectrum 1 weight 0.10000E+01 volume 0.27179E-02 ppm1 4.271 ppm2 1.009 CV 1 OR { 31} (( segid " " and resid 46 and name HA )) ( segid " " and resid 42 and name H30%) ASSI { 56} ( segid " " and resid 35 and name HE% ) ( segid " " and resid 42 and name H8% ) 3.500 1.500 1.500 peak 56 spectrum 1 weight 0.10000E+01 volume 0.19711E-02 ppm1 7.017 ppm2 0.840 CV 1 OR { 56} ( segid " " and resid 40 and name HD% ) ( segid " " and resid 42 and name H8% ) ASSI { 61} (( segid " " and resid 49 and name HA )) ( segid " " and resid 42 and name H8% ) 3.300 1.300 1.300 peak 61 spectrum 1 weight 0.10000E+01 volume 0.17351E-02 ppm1 3.929 ppm2 0.838 CV 1 OR { 61} (( segid " " and resid 48 and name HA )) ( segid " " and resid 42 and name H8% ) ASSI { 77} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H2A )) 5.100 3.300 0.900 peak 77 spectrum 1 weight 0.10000E+01 volume 0.44689E-03 ppm1 1.002 ppm2 2.508 CV 1 OR { 77} ( segid " " and resid 60 and name HG2%) (( segid " " and resid 42 and name H2B )) OR { 77} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H2B )) OR { 77} ( segid " " and resid 42 and name H30%) (( segid " " and resid 42 and name H2A )) OR { 77} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 42 and name H2A )) OR { 77} ( segid " " and resid 64 and name HG2%) (( segid " " and resid 42 and name H2B ))
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