NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
27229 | 2png | 15449 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 62} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 54 and name HN )) 2.700 2.700 3.300 peak 62 spectrum 1 weight 0.10000E+01 volume 0.81127E-03 ppm1 0.797 ppm2 7.637 CV 1 OR { 62} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 53 and name HN )) ASSI { 135} (( segid " " and resid 20 and name HD1 )) (( segid " " and resid 20 and name HG1 )) 2.400 0.700 0.700 peak 135 spectrum 1 weight 0.10000E+01 volume 0.48179E-02 ppm1 3.179 ppm2 1.607 CV 1 OR { 135} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HG1 )) OR { 135} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG2 )) OR { 135} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG2 )) OR { 135} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HG1 )) OR { 135} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HG1 )) ASSI { 365} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HA )) 4.200 2.300 1.800 peak 365 spectrum 1 weight 0.10000E+01 volume 0.72018E-03 ppm1 4.482 ppm2 3.877 CV 1 OR { 365} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 29 and name HB1 )) ASSI { 455} ( segid " " and resid 32 and name HB% ) ( segid " " and resid 36 and name HD2%) 3.500 1.600 1.600 peak 455 spectrum 1 weight 0.10000E+01 volume 0.15196E-02 ppm1 1.380 ppm2 0.745 CV 1 OR { 455} ( segid " " and resid 23 and name HB% ) ( segid " " and resid 25 and name HD1%) OR { 455} ( segid " " and resid 23 and name HB% ) ( segid " " and resid 22 and name HD2%) ASSI { 537} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 66 and name HB2 )) 4.000 2.000 2.000 peak 537 spectrum 1 weight 0.10000E+01 volume 0.54334E-03 ppm1 0.770 ppm2 1.287 CV 1 OR { 537} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 66 and name HB2 )) OR { 537} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 25 and name HG12)) OR { 537} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 25 and name HG12)) ASSI { 544} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 14 and name HA )) 4.000 2.000 2.000 peak 544 spectrum 1 weight 0.10000E+01 volume 0.55890E-03 ppm1 0.771 ppm2 3.871 CV 1 OR { 544} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 14 and name HA )) OR { 544} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 70 and name HA )) OR { 544} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 70 and name HA )) OR { 544} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 19 and name HA )) OR { 544} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 19 and name HA )) ASSI { 582} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 64 and name HD2%) 4.000 2.000 2.000 peak 582 spectrum 1 weight 0.10000E+01 volume 0.28869E-03 ppm1 1.888 ppm2 0.791 CV 1 OR { 582} (( segid " " and resid 72 and name HB2 )) ( segid " " and resid 69 and name HD1%) OR { 582} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 17 and name HD1%) OR { 582} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 13 and name HG1%) OR { 582} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 17 and name HD2%) ASSI { 677} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 7 and name HN )) 3.100 3.100 2.900 peak 677 spectrum 1 weight 0.10000E+01 volume 0.81583E-03 ppm1 0.902 ppm2 8.414 CV 1 OR { 677} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 45 and name HN )) OR { 677} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 44 and name HN )) OR { 677} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 45 and name HN )) ASSI { 680} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 43 and name HN )) 3.900 1.900 1.900 peak 680 spectrum 1 weight 0.10000E+01 volume 0.56817E-03 ppm1 0.902 ppm2 7.360 CV 1 OR { 680} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 42 and name HN )) OR { 680} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HE )) ASSI { 766} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HG11)) 2.900 1.100 1.100 peak 766 spectrum 1 weight 0.10000E+01 volume 0.53221E-02 ppm1 0.700 ppm2 1.433 CV 1 OR { 766} ( segid " " and resid 19 and name HG2%) ( segid " " and resid 14 and name HB% ) ASSI { 779} (( segid " " and resid 41 and name HA1 )) ( segid " " and resid 61 and name HG1%) 4.100 2.100 1.900 peak 779 spectrum 1 weight 0.10000E+01 volume 0.59949E-03 ppm1 3.782 ppm2 0.792 CV 1 OR { 779} (( segid " " and resid 41 and name HA1 )) ( segid " " and resid 58 and name HD1%) OR { 779} (( segid " " and resid 41 and name HA1 )) ( segid " " and resid 64 and name HD1%) ASSI { 780} (( segid " " and resid 41 and name HA2 )) ( segid " " and resid 61 and name HG1%) 3.400 1.400 1.400 peak 780 spectrum 1 weight 0.10000E+01 volume 0.60776E-03 ppm1 3.491 ppm2 0.793 CV 1 OR { 780} (( segid " " and resid 41 and name HA2 )) ( segid " " and resid 58 and name HD1%) OR { 780} (( segid " " and resid 41 and name HA2 )) ( segid " " and resid 64 and name HD1%) ASSI { 799} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HB1 )) 2.900 1.100 1.100 peak 799 spectrum 1 weight 0.10000E+01 volume 0.18228E-02 ppm1 3.149 ppm2 1.854 CV 1 OR { 799} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HB1 )) OR { 799} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HB2 )) OR { 799} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HB1 )) OR { 799} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HB2 )) OR { 799} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 1015} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 44 and name HN )) 2.500 2.500 3.500 peak 1015 spectrum 1 weight 0.10000E+01 volume 0.13422E-02 ppm1 0.773 ppm2 8.414 CV 1 OR { 1015} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 45 and name HN )) ASSI { 1019} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 46 and name HB2 )) 2.200 2.200 3.800 peak 1019 spectrum 1 weight 0.10000E+01 volume 0.25283E-02 ppm1 0.769 ppm2 2.109 CV 1 OR { 1019} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 43 and name HB2 )) OR { 1019} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 43 and name HB2 )) ASSI { 1062} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HB2 )) 2.900 1.100 1.100 peak 1062 spectrum 1 weight 0.10000E+01 volume 0.13661E-02 ppm1 4.070 ppm2 1.311 CV 1 OR { 1062} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HG11)) OR { 1062} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HG12)) ASSI { 1139} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 9 and name HD2%) 3.400 1.400 1.400 peak 1139 spectrum 1 weight 0.10000E+01 volume 0.49790E-03 ppm1 2.009 ppm2 0.705 CV 1 OR { 1139} (( segid " " and resid 72 and name HB1 )) ( segid " " and resid 48 and name HD1%) ASSI { 1173} (( segid " " and resid 71 and name HA )) (( segid " " and resid 74 and name HN )) 3.600 1.600 1.600 peak 1173 spectrum 1 weight 0.10000E+01 volume 0.11229E-02 ppm1 4.037 ppm2 7.908 CV 1 OR { 1173} (( segid " " and resid 71 and name HA )) (( segid " " and resid 69 and name HN )) ASSI { 1204} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 19 and name HD1%) 3.800 1.800 1.800 peak 1204 spectrum 1 weight 0.10000E+01 volume 0.10890E-02 ppm1 1.296 ppm2 0.842 CV 1 OR { 1204} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 69 and name HD2%) OR { 1204} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 27 and name HD2%) ASSI { 1209} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 19 and name HD1%) 3.700 1.700 1.700 peak 1209 spectrum 1 weight 0.10000E+01 volume 0.44286E-03 ppm1 1.952 ppm2 0.842 CV 1 OR { 1209} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 69 and name HD2%) OR { 1209} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 27 and name HD2%) ASSI { 1222} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HN )) 2.700 0.900 0.900 peak 1222 spectrum 1 weight 0.10000E+01 volume 0.32249E-02 ppm1 4.036 ppm2 7.983 CV 1 OR { 1222} (( segid " " and resid 68 and name HA )) (( segid " " and resid 71 and name HN )) OR { 1222} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) ASSI { 1290} (( segid " " and resid 66 and name HA )) (( segid " " and resid 65 and name HN )) 4.700 2.700 1.300 peak 1290 spectrum 1 weight 0.10000E+01 volume 0.54004E-03 ppm1 4.050 ppm2 6.393 CV 1 OR { 1290} (( segid " " and resid 68 and name HA )) (( segid " " and resid 65 and name HN )) ASSI { 1532} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 3.400 1.500 1.500 peak 1532 spectrum 1 weight 0.10000E+01 volume 0.64373E-03 ppm1 4.305 ppm2 7.712 CV 1 OR { 1532} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HN )) ASSI { 1579} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 1579 spectrum 1 weight 0.10000E+01 volume 0.62309E-03 ppm1 3.417 ppm2 3.967 CV 1 OR { 1579} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 74 and name HB1 )) ASSI { 1580} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 48 and name HA )) 3.300 1.400 1.400 peak 1580 spectrum 1 weight 0.10000E+01 volume 0.88722E-03 ppm1 3.041 ppm2 3.966 CV 1 OR { 1580} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 74 and name HB1 )) ASSI { 1609} (( segid " " and resid 33 and name HA )) ( segid " " and resid 34 and name HD2%) 4.600 2.600 1.400 peak 1609 spectrum 1 weight 0.10000E+01 volume 0.46331E-03 ppm1 4.371 ppm2 0.867 CV 1 OR { 1609} (( segid " " and resid 51 and name HA )) ( segid " " and resid 47 and name HG2%) OR { 1609} (( segid " " and resid 51 and name HA )) ( segid " " and resid 54 and name HD1%) ASSI { 1785} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 31 and name HB2 )) 3.500 1.500 1.500 peak 1785 spectrum 1 weight 0.10000E+01 volume 0.14291E-02 ppm1 0.846 ppm2 1.297 CV 1 OR { 1785} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 66 and name HB2 )) OR { 1785} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 25 and name HG11)) ASSI { 1804} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 66 and name HB2 )) 4.200 2.200 1.800 peak 1804 spectrum 1 weight 0.10000E+01 volume 0.79840E-03 ppm1 0.938 ppm2 1.303 CV 1 OR { 1804} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 66 and name HB2 )) OR { 1804} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 31 and name HB2 )) OR { 1804} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 27 and name HB2 )) ASSI { 1805} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 1805 spectrum 1 weight 0.10000E+01 volume 0.18868E-02 ppm1 0.938 ppm2 1.150 CV 1 OR { 1805} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 69 and name HB2 )) ASSI { 1987} (( segid " " and resid 22 and name HA )) ( segid " " and resid 19 and name HD1%) 5.000 3.200 1.000 peak 1987 spectrum 1 weight 0.10000E+01 volume 0.35492E-03 ppm1 3.979 ppm2 0.863 CV 1 OR { 1987} (( segid " " and resid 22 and name HA )) ( segid " " and resid 27 and name HD2%) ASSI { 2003} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 2003 spectrum 1 weight 0.10000E+01 volume 0.67618E-03 ppm1 0.866 ppm2 3.804 CV 1 OR { 2003} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 41 and name HA1 )) ASSI { 2005} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 70 and name HE21)) 4.500 2.500 1.500 peak 2005 spectrum 1 weight 0.10000E+01 volume 0.45911E-03 ppm1 0.706 ppm2 6.604 CV 1 OR { 2005} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 70 and name HE21)) ASSI { 2077} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 42 and name HN )) 5.000 3.100 1.000 peak 2077 spectrum 1 weight 0.10000E+01 volume 0.24755E-03 ppm1 0.717 ppm2 7.371 CV 1 OR { 2077} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 43 and name HN )) ASSI { 2092} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 32 and name HA )) 3.000 3.000 3.000 peak 2092 spectrum 1 weight 0.10000E+01 volume 0.43032E-03 ppm1 0.858 ppm2 4.060 CV 1 OR { 2092} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 27 and name HA )) OR { 2092} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 66 and name HA )) ASSI { 2207} (( segid " " and resid 39 and name HA )) (( segid " " and resid 41 and name HN )) 4.300 2.300 1.700 peak 2207 spectrum 1 weight 0.10000E+01 volume 0.23430E-03 ppm1 4.172 ppm2 8.362 CV 1 OR { 2207} (( segid " " and resid 39 and name HA )) (( segid " " and resid 38 and name HN )) ASSI { 2245} (( segid " " and resid 48 and name HA )) (( segid " " and resid 54 and name HN )) 4.000 2.000 2.000 peak 2245 spectrum 1 weight 0.10000E+01 volume 0.37465E-03 ppm1 3.966 ppm2 7.635 CV 1 OR { 2245} (( segid " " and resid 48 and name HA )) (( segid " " and resid 53 and name HN )) ASSI { 2268} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 54 and name HN )) 4.800 2.900 1.200 peak 2268 spectrum 1 weight 0.10000E+01 volume 0.32870E-03 ppm1 0.669 ppm2 7.633 CV 1 OR { 2268} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 53 and name HN )) ASSI { 2474} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 32 and name HA )) 3.700 1.700 1.700 peak 2474 spectrum 1 weight 0.10000E+01 volume 0.10199E-02 ppm1 0.880 ppm2 4.095 CV 1 OR { 2474} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 50 and name HA )) ASSI { 2574} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 36 and name HD2%) 4.600 2.700 1.400 peak 2574 spectrum 1 weight 0.10000E+01 volume 0.36382E-03 ppm1 1.865 ppm2 0.738 CV 1 OR { 2574} (( segid " " and resid 20 and name HB1 )) ( segid " " and resid 22 and name HD2%) ASSI { 2636} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 72 and name HB2 )) 3.200 1.200 1.200 peak 2636 spectrum 1 weight 0.10000E+01 volume 0.12200E-02 ppm1 0.788 ppm2 1.927 CV 1 OR { 2636} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 72 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 63 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 63 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 72 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 72 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 63 and name HB2 )) OR { 2636} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 63 and name HB2 )) ASSI { 2840} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 16 and name HG11)) 4.100 2.100 1.900 peak 2840 spectrum 1 weight 0.10000E+01 volume 0.44196E-03 ppm1 0.766 ppm2 1.779 CV 1 OR { 2840} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HG1 )) OR { 2840} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HB2 )) ASSI { 3025} (( segid " " and resid 44 and name HA )) ( segid " " and resid 47 and name HD1%) 2.600 0.800 0.800 peak 3025 spectrum 1 weight 0.10000E+01 volume 0.36778E-02 ppm1 3.455 ppm2 0.791 CV 1 OR { 3025} (( segid " " and resid 44 and name HA )) ( segid " " and resid 61 and name HG1%) ASSI { 3035} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 17 and name HN )) 5.000 3.100 1.000 peak 3035 spectrum 1 weight 0.10000E+01 volume 0.24087E-03 ppm1 0.995 ppm2 7.711 CV 1 OR { 3035} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 73 and name HN )) OR { 3035} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 18 and name HN )) ASSI { 3042} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 66 and name HG )) 5.100 3.300 0.900 peak 3042 spectrum 1 weight 0.10000E+01 volume 0.31649E-03 ppm1 0.700 ppm2 1.726 CV 1 OR { 3042} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 20 and name HB2 )) ASSI { 3063} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 11 and name HE2 )) 3.200 3.200 2.800 peak 3063 spectrum 1 weight 0.10000E+01 volume 0.33779E-03 ppm1 0.746 ppm2 2.941 CV 1 OR { 3063} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 11 and name HE1 )) OR { 3063} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 68 and name HE1 )) ASSI { 3066} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 19 and name HA )) 3.700 1.800 1.800 peak 3066 spectrum 1 weight 0.10000E+01 volume 0.22505E-03 ppm1 0.746 ppm2 3.884 CV 1 OR { 3066} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 24 and name HA1 )) ASSI { 3070} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 14 and name HN )) 4.800 2.900 1.200 peak 3070 spectrum 1 weight 0.10000E+01 volume 0.31583E-03 ppm1 0.750 ppm2 8.820 CV 1 OR { 3070} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 66 and name HN )) ASSI { 3078} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 45 and name HE )) 5.900 4.400 0.100 peak 3078 spectrum 1 weight 0.10000E+01 volume 0.99912E-04 ppm1 0.738 ppm2 7.372 CV 1 OR { 3078} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 43 and name HN )) OR { 3078} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 42 and name HN )) OR { 3078} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 64 and name HN )) ASSI { 3095} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 43 and name HG1 )) 4.900 3.100 1.100 peak 3095 spectrum 1 weight 0.10000E+01 volume 0.45105E-03 ppm1 0.902 ppm2 2.403 CV 1 OR { 3095} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 43 and name HG1 )) ASSI { 3098} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 39 and name HA )) 5.100 3.300 0.900 peak 3098 spectrum 1 weight 0.10000E+01 volume 0.18735E-03 ppm1 0.903 ppm2 4.149 CV 1 OR { 3098} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 36 and name HA )) ASSI { 3107} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HB1 )) 5.200 3.400 0.800 peak 3107 spectrum 1 weight 0.10000E+01 volume 0.58128E-03 ppm1 1.422 ppm2 1.808 CV 1 OR { 3107} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 16 and name HG11)) ASSI { 3114} (( segid " " and resid 9 and name HG )) (( segid " " and resid 10 and name HA )) 4.100 2.100 1.900 peak 3114 spectrum 1 weight 0.10000E+01 volume 0.12156E-02 ppm1 1.468 ppm2 3.328 CV 1 OR { 3114} (( segid " " and resid 19 and name HG11)) (( segid " " and resid 10 and name HA )) ASSI { 3118} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 58 and name HN )) 5.000 3.200 1.000 peak 3118 spectrum 1 weight 0.10000E+01 volume 0.56373E-03 ppm1 1.470 ppm2 8.927 CV 1 OR { 3118} (( segid " " and resid 19 and name HG11)) (( segid " " and resid 67 and name HN )) ASSI { 3119} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 67 and name HD1 )) 3.700 3.700 2.300 peak 3119 spectrum 1 weight 0.10000E+01 volume 0.98296E-03 ppm1 1.600 ppm2 3.323 CV 1 OR { 3119} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 10 and name HA )) OR { 3119} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 10 and name HA )) ASSI { 3120} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 60 and name HG1 )) 4.200 2.200 1.800 peak 3120 spectrum 1 weight 0.10000E+01 volume 0.78026E-03 ppm1 1.486 ppm2 2.232 CV 1 OR { 3120} (( segid " " and resid 9 and name HG )) (( segid " " and resid 70 and name HB1 )) OR { 3120} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 60 and name HG2 )) OR { 3120} (( segid " " and resid 9 and name HG )) (( segid " " and resid 70 and name HB2 )) OR { 3120} (( segid " " and resid 56 and name HG )) (( segid " " and resid 60 and name HG1 )) OR { 3120} (( segid " " and resid 56 and name HG )) (( segid " " and resid 60 and name HG2 )) ASSI { 3131} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 49 and name HN )) 4.200 2.200 1.800 peak 3131 spectrum 1 weight 0.10000E+01 volume 0.61715E-03 ppm1 1.599 ppm2 7.909 CV 1 OR { 3131} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 61 and name HN )) OR { 3131} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 10 and name HN )) OR { 3131} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 10 and name HN )) ASSI { 3132} (( segid " " and resid 9 and name HG )) (( segid " " and resid 10 and name HN )) 4.100 2.100 1.900 peak 3132 spectrum 1 weight 0.10000E+01 volume 0.78881E-03 ppm1 1.458 ppm2 7.907 CV 1 OR { 3132} (( segid " " and resid 9 and name HG )) (( segid " " and resid 74 and name HN )) OR { 3132} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 61 and name HN )) OR { 3132} (( segid " " and resid 9 and name HG )) (( segid " " and resid 69 and name HN )) ASSI { 3147} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 10 and name HB )) 4.500 2.500 1.500 peak 3147 spectrum 1 weight 0.10000E+01 volume 0.67675E-03 ppm1 0.705 ppm2 2.147 CV 1 OR { 3147} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 43 and name HB2 )) ASSI { 3149} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 64 and name HB2 )) 4.800 2.900 1.200 peak 3149 spectrum 1 weight 0.10000E+01 volume 0.32825E-03 ppm1 0.708 ppm2 1.106 CV 1 OR { 3149} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 64 and name HB2 )) ASSI { 3153} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 74 and name HB2 )) 3.700 3.700 2.300 peak 3153 spectrum 1 weight 0.10000E+01 volume 0.61496E-03 ppm1 0.880 ppm2 3.874 CV 1 OR { 3153} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 31 and name HA )) ASSI { 3155} (( segid " " and resid 34 and name HG )) (( segid " " and resid 29 and name HB2 )) 4.600 2.600 1.400 peak 3155 spectrum 1 weight 0.10000E+01 volume 0.51127E-03 ppm1 1.738 ppm2 3.769 CV 1 OR { 3155} (( segid " " and resid 36 and name HG )) (( segid " " and resid 41 and name HA1 )) ASSI { 3156} (( segid " " and resid 36 and name HG )) (( segid " " and resid 32 and name HA )) 4.700 2.800 1.300 peak 3156 spectrum 1 weight 0.10000E+01 volume 0.15483E-03 ppm1 1.738 ppm2 4.069 CV 1 OR { 3156} (( segid " " and resid 36 and name HG )) (( segid " " and resid 40 and name HA )) ASSI { 3158} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 7 and name HN )) 3.500 3.500 2.500 peak 3158 spectrum 1 weight 0.10000E+01 volume 0.17104E-03 ppm1 0.880 ppm2 8.395 CV 1 OR { 3158} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 45 and name HN )) OR { 3158} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 44 and name HN )) ASSI { 3164} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 6 and name HG1 )) 4.000 2.000 2.000 peak 3164 spectrum 1 weight 0.10000E+01 volume 0.43368E-03 ppm1 1.473 ppm2 2.324 CV 1 OR { 3164} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 6 and name HG2 )) OR { 3164} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 70 and name HG2 )) ASSI { 3165} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 36 and name HB1 )) 4.200 2.200 1.800 peak 3165 spectrum 1 weight 0.10000E+01 volume 0.28894E-03 ppm1 0.583 ppm2 1.469 CV 1 OR { 3165} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 62 and name HG2 )) ASSI { 3199} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 45 and name HE )) 3.000 1.100 1.100 peak 3199 spectrum 1 weight 0.10000E+01 volume 0.10139E-02 ppm1 0.782 ppm2 7.380 CV 1 OR { 3199} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 63 and name HE22)) OR { 3199} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 29 and name HN )) OR { 3199} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 3207} ( segid " " and resid 58 and name HD1%) ( segid " " and resid 42 and name HG2%) 2.300 2.300 3.700 peak 3207 spectrum 1 weight 0.10000E+01 volume 0.28248E-02 ppm1 0.784 ppm2 1.139 CV 1 OR { 3207} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 64 and name HB2 )) ASSI { 3228} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 61 and name HG2%) 5.300 3.500 0.700 peak 3228 spectrum 1 weight 0.10000E+01 volume 0.28285E-03 ppm1 2.411 ppm2 0.863 CV 1 OR { 3228} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 58 and name HG2%) OR { 3228} (( segid " " and resid 57 and name HB1 )) ( segid " " and resid 56 and name HD2%) ASSI { 3233} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 9 and name HN )) 3.600 1.600 1.600 peak 3233 spectrum 1 weight 0.10000E+01 volume 0.10915E-02 ppm1 0.701 ppm2 8.473 CV 1 OR { 3233} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 26 and name HN )) ASSI { 3235} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 72 and name HN )) 4.300 2.400 1.700 peak 3235 spectrum 1 weight 0.10000E+01 volume 0.47801E-03 ppm1 0.703 ppm2 7.986 CV 1 OR { 3235} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 71 and name HN )) ASSI { 3236} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 49 and name HN )) 4.400 2.400 1.600 peak 3236 spectrum 1 weight 0.10000E+01 volume 0.77240E-03 ppm1 0.702 ppm2 7.913 CV 1 OR { 3236} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 10 and name HN )) OR { 3236} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 47 and name HN )) OR { 3236} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 69 and name HN )) OR { 3236} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 47 and name HN )) ASSI { 3237} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 6 and name HE21)) 3.500 1.500 1.500 peak 3237 spectrum 1 weight 0.10000E+01 volume 0.11671E-02 ppm1 0.699 ppm2 6.781 CV 1 OR { 3237} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 6 and name HE21)) ASSI { 3239} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 69 and name HB1 )) 3.200 1.300 1.300 peak 3239 spectrum 1 weight 0.10000E+01 volume 0.17257E-02 ppm1 0.573 ppm2 2.023 CV 1 OR { 3239} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 48 and name HB1 )) OR { 3239} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 72 and name HB1 )) ASSI { 3240} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 47 and name HB )) 3.300 1.400 1.400 peak 3240 spectrum 1 weight 0.10000E+01 volume 0.10541E-02 ppm1 0.573 ppm2 1.912 CV 1 OR { 3240} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 72 and name HB2 )) ASSI { 3241} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 48 and name HG )) 3.400 1.500 1.500 peak 3241 spectrum 1 weight 0.10000E+01 volume 0.16673E-02 ppm1 0.572 ppm2 1.822 CV 1 OR { 3241} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 47 and name HG11)) OR { 3241} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 75 and name HB1 )) ASSI { 3244} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 51 and name HG1 )) 5.100 3.300 0.900 peak 3244 spectrum 1 weight 0.10000E+01 volume 0.23563E-03 ppm1 0.572 ppm2 2.229 CV 1 OR { 3244} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 70 and name HB1 )) OR { 3244} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 70 and name HB2 )) ASSI { 3245} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 51 and name HG1 )) 4.500 2.500 1.500 peak 3245 spectrum 1 weight 0.10000E+01 volume 0.46136E-03 ppm1 0.700 ppm2 2.225 CV 1 OR { 3245} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 70 and name HB1 )) OR { 3245} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 51 and name HG2 )) OR { 3245} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 70 and name HB2 )) OR { 3245} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 51 and name HG1 )) OR { 3245} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 51 and name HG2 )) ASSI { 3248} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 12 and name HN )) 5.100 3.300 0.900 peak 3248 spectrum 1 weight 0.10000E+01 volume 0.22048E-03 ppm1 0.572 ppm2 8.144 CV 1 OR { 3248} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 48 and name HN )) OR { 3248} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 75 and name HN )) ASSI { 3250} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 10 and name HN )) 4.800 2.900 1.200 peak 3250 spectrum 1 weight 0.10000E+01 volume 0.41385E-03 ppm1 0.572 ppm2 7.913 CV 1 OR { 3250} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 74 and name HN )) OR { 3250} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 3255} (( segid " " and resid 19 and name HG11)) (( segid " " and resid 18 and name HN )) 4.400 2.500 1.600 peak 3255 spectrum 1 weight 0.10000E+01 volume 0.32963E-03 ppm1 1.459 ppm2 7.729 CV 1 OR { 3255} (( segid " " and resid 9 and name HG )) (( segid " " and resid 73 and name HN )) ASSI { 3257} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 9 and name HB1 )) 3.400 3.400 2.600 peak 3257 spectrum 1 weight 0.10000E+01 volume 0.19401E-03 ppm1 4.087 ppm2 1.593 CV 1 OR { 3257} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 7 and name HG2 )) ASSI { 3258} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 9 and name HB1 )) 3.400 1.500 1.500 peak 3258 spectrum 1 weight 0.10000E+01 volume 0.18198E-03 ppm1 3.963 ppm2 1.595 CV 1 OR { 3258} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 7 and name HG1 )) OR { 3258} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 7 and name HG2 )) ASSI { 3259} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 69 and name HD1%) 3.800 1.800 1.800 peak 3259 spectrum 1 weight 0.10000E+01 volume 0.14733E-03 ppm1 4.082 ppm2 0.842 CV 1 OR { 3259} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 69 and name HD2%) OR { 3259} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 54 and name HD2%) ASSI { 12} (( segid " " and resid 31 and name HN )) (( segid " " and resid 64 and name HN )) 4.000 2.000 2.000 peak 12 spectrum 1 weight 0.10000E+01 volume 0.27680E-03 ppm1 8.555 ppm2 7.402 CV 1 OR { 12} (( segid " " and resid 59 and name HN )) (( segid " " and resid 63 and name HE22)) ASSI { 20} (( segid " " and resid 24 and name HN )) (( segid " " and resid 23 and name HA )) 2.400 0.700 0.700 peak 20 spectrum 1 weight 0.10000E+01 volume 0.83521E-02 ppm1 8.221 ppm2 4.068 CV 1 OR { 20} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HA )) ASSI { 152} (( segid " " and resid 45 and name HN )) (( segid " " and resid 47 and name HN )) 4.400 2.400 1.600 peak 152 spectrum 1 weight 0.10000E+01 volume 0.28600E-03 ppm1 8.431 ppm2 7.931 CV 1 OR { 152} (( segid " " and resid 45 and name HN )) (( segid " " and resid 49 and name HN )) ASSI { 207} (( segid " " and resid 72 and name HN )) (( segid " " and resid 73 and name HN )) 2.700 0.900 0.900 peak 207 spectrum 1 weight 0.10000E+01 volume 0.20606E-02 ppm1 7.969 ppm2 7.709 CV 1 OR { 207} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) ASSI { 244} (( segid " " and resid 32 and name HN )) ( segid " " and resid 31 and name HD2%) 4.000 2.000 2.000 peak 244 spectrum 1 weight 0.10000E+01 volume 0.88803E-03 ppm1 8.484 ppm2 0.841 CV 1 OR { 244} (( segid " " and resid 32 and name HN )) ( segid " " and resid 34 and name HD2%) ASSI { 245} (( segid " " and resid 32 and name HN )) ( segid " " and resid 36 and name HD2%) 3.500 1.500 1.500 peak 245 spectrum 1 weight 0.10000E+01 volume 0.11417E-02 ppm1 8.483 ppm2 0.719 CV 1 OR { 245} (( segid " " and resid 32 and name HN )) ( segid " " and resid 34 and name HD1%) ASSI { 2} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HA )) 3.000 1.200 1.200 peak 2 spectrum 1 weight 0.10000E+01 volume 0.32687E-02 ppm1 3.299 ppm2 4.898 CV 1 ASSI { 3} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HA )) 2.600 0.900 0.900 peak 3 spectrum 1 weight 0.10000E+01 volume 0.31517E-02 ppm1 2.715 ppm2 4.898 CV 1 ASSI { 4} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HA )) 2.900 1.000 1.000 peak 4 spectrum 1 weight 0.10000E+01 volume 0.26983E-02 ppm1 2.956 ppm2 4.953 CV 1 ASSI { 5} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HA )) 3.000 1.100 1.100 peak 5 spectrum 1 weight 0.10000E+01 volume 0.20386E-02 ppm1 2.501 ppm2 4.952 CV 1 ASSI { 12} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 36 and name HA )) 4.900 3.000 1.100 peak 12 spectrum 1 weight 0.10000E+01 volume 0.30555E-03 ppm1 3.293 ppm2 4.152 CV 1 ASSI { 13} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 37 and name HN )) 3.300 1.400 1.400 peak 13 spectrum 1 weight 0.10000E+01 volume 0.81412E-03 ppm1 3.301 ppm2 7.869 CV 1 ASSI { 14} (( segid " " and resid 37 and name HB1 )) (( segid " " and resid 38 and name HN )) 4.000 2.000 2.000 peak 14 spectrum 1 weight 0.10000E+01 volume 0.26627E-03 ppm1 3.297 ppm2 8.369 CV 1 ASSI { 45} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 54 and name HB1 )) 5.100 3.300 0.900 peak 45 spectrum 1 weight 0.10000E+01 volume 0.40252E-03 ppm1 3.046 ppm2 1.361 CV 1 ASSI { 57} (( segid " " and resid 55 and name HB )) (( segid " " and resid 55 and name HN )) 2.500 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.39547E-02 ppm1 1.936 ppm2 8.545 CV 1 ASSI { 58} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 55 and name HN )) 4.000 2.000 2.000 peak 58 spectrum 1 weight 0.10000E+01 volume 0.17291E-02 ppm1 0.748 ppm2 8.543 CV 1 ASSI { 59} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 56 and name HN )) 3.300 1.400 1.400 peak 59 spectrum 1 weight 0.10000E+01 volume 0.22150E-02 ppm1 0.748 ppm2 8.240 CV 1 ASSI { 60} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HN )) 2.400 2.400 3.600 peak 60 spectrum 1 weight 0.10000E+01 volume 0.14599E-02 ppm1 0.798 ppm2 8.240 CV 1 ASSI { 61} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HN )) 2.300 0.700 0.700 peak 61 spectrum 1 weight 0.10000E+01 volume 0.55785E-02 ppm1 0.797 ppm2 8.546 CV 1 ASSI { 64} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 56 and name HA )) 3.900 1.900 1.900 peak 64 spectrum 1 weight 0.10000E+01 volume 0.69448E-03 ppm1 0.746 ppm2 4.916 CV 1 ASSI { 65} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 54 and name HA )) 5.200 3.300 0.800 peak 65 spectrum 1 weight 0.10000E+01 volume 0.68515E-03 ppm1 0.748 ppm2 4.588 CV 1 ASSI { 67} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 55 and name HA )) 2.600 0.800 0.800 peak 67 spectrum 1 weight 0.10000E+01 volume 0.35612E-02 ppm1 0.748 ppm2 3.992 CV 1 ASSI { 68} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HA )) 2.400 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.51295E-02 ppm1 0.797 ppm2 3.992 CV 1 ASSI { 69} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 57 and name HD1 )) 2.300 2.300 3.700 peak 69 spectrum 1 weight 0.10000E+01 volume 0.18613E-02 ppm1 0.797 ppm2 3.836 CV 1 ASSI { 70} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 54 and name HA )) 3.700 1.700 1.700 peak 70 spectrum 1 weight 0.10000E+01 volume 0.17219E-02 ppm1 0.796 ppm2 4.589 CV 1 OR { 70} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 54 and name HA )) ASSI { 71} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 64 and name HN )) 4.400 2.400 1.600 peak 71 spectrum 1 weight 0.10000E+01 volume 0.51073E-03 ppm1 0.810 ppm2 7.383 CV 1 ASSI { 73} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 55 and name HB )) 2.100 0.600 0.600 peak 73 spectrum 1 weight 0.10000E+01 volume 0.10410E-01 ppm1 0.797 ppm2 1.941 CV 1 ASSI { 74} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 49 and name HG1 )) 2.300 0.700 0.700 peak 74 spectrum 1 weight 0.10000E+01 volume 0.34298E-02 ppm1 0.797 ppm2 2.174 CV 1 ASSI { 75} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 57 and name HG1 )) 2.000 2.000 4.000 peak 75 spectrum 1 weight 0.10000E+01 volume 0.45285E-02 ppm1 0.797 ppm2 2.083 CV 1 ASSI { 80} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 49 and name HG1 )) 4.000 2.000 2.000 peak 80 spectrum 1 weight 0.10000E+01 volume 0.56043E-03 ppm1 0.751 ppm2 2.176 CV 1 ASSI { 81} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 57 and name HG1 )) 2.900 1.000 1.000 peak 81 spectrum 1 weight 0.10000E+01 volume 0.12961E-02 ppm1 0.748 ppm2 2.081 CV 1 ASSI { 82} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 55 and name HB )) 2.200 0.600 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.10291E-01 ppm1 0.748 ppm2 1.940 CV 1 ASSI { 87} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 54 and name HB1 )) 3.100 3.100 2.900 peak 87 spectrum 1 weight 0.10000E+01 volume 0.36146E-03 ppm1 0.797 ppm2 1.365 CV 1 ASSI { 89} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB2 )) 3.500 1.500 1.500 peak 89 spectrum 1 weight 0.10000E+01 volume 0.80017E-03 ppm1 4.226 ppm2 1.928 CV 1 ASSI { 90} (( segid " " and resid 4 and name HA )) (( segid " " and resid 4 and name HB1 )) 2.800 1.000 1.000 peak 90 spectrum 1 weight 0.10000E+01 volume 0.22829E-02 ppm1 4.230 ppm2 2.025 CV 1 ASSI { 100} (( segid " " and resid 4 and name HB1 )) (( segid " " and resid 5 and name HN )) 3.800 1.800 1.800 peak 100 spectrum 1 weight 0.10000E+01 volume 0.95452E-03 ppm1 2.022 ppm2 8.290 CV 1 ASSI { 101} (( segid " " and resid 4 and name HB2 )) (( segid " " and resid 5 and name HN )) 3.800 1.800 1.800 peak 101 spectrum 1 weight 0.10000E+01 volume 0.63350E-03 ppm1 1.938 ppm2 8.293 CV 1 ASSI { 107} (( segid " " and resid 4 and name HG2 )) (( segid " " and resid 4 and name HA )) 3.100 1.200 1.200 peak 107 spectrum 1 weight 0.10000E+01 volume 0.21008E-02 ppm1 2.203 ppm2 4.229 CV 1 OR { 107} (( segid " " and resid 4 and name HG1 )) (( segid " " and resid 4 and name HA )) ASSI { 114} (( segid " " and resid 5 and name HA )) (( segid " " and resid 5 and name HN )) 2.800 1.000 1.000 peak 114 spectrum 1 weight 0.10000E+01 volume 0.26114E-02 ppm1 4.238 ppm2 8.277 CV 1 ASSI { 116} ( segid " " and resid 5 and name HB% ) (( segid " " and resid 5 and name HN )) 3.100 1.200 1.200 peak 116 spectrum 1 weight 0.10000E+01 volume 0.18157E-02 ppm1 1.346 ppm2 8.304 CV 1 ASSI { 122} ( segid " " and resid 5 and name HB% ) (( segid " " and resid 5 and name HA )) 2.400 0.700 0.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.77261E-02 ppm1 1.346 ppm2 4.238 CV 1 ASSI { 129} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HB )) 3.000 1.100 1.100 peak 129 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 3.320 ppm2 2.141 CV 1 ASSI { 130} (( segid " " and resid 10 and name HA )) (( segid " " and resid 13 and name HB )) 2.800 1.000 1.000 peak 130 spectrum 1 weight 0.10000E+01 volume 0.17318E-02 ppm1 3.319 ppm2 2.004 CV 1 ASSI { 133} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HB1 )) 3.000 1.100 1.100 peak 133 spectrum 1 weight 0.10000E+01 volume 0.27174E-02 ppm1 3.178 ppm2 1.966 CV 1 OR { 133} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HB1 )) ASSI { 136} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HB1 )) 3.100 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.33296E-02 ppm1 3.161 ppm2 1.875 CV 1 OR { 136} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HB1 )) ASSI { 140} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HG1 )) 2.400 0.700 0.700 peak 140 spectrum 1 weight 0.10000E+01 volume 0.28711E-02 ppm1 3.063 ppm2 1.758 CV 1 OR { 140} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HB2 )) ASSI { 151} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HA )) 2.800 1.000 1.000 peak 151 spectrum 1 weight 0.10000E+01 volume 0.18395E-02 ppm1 3.148 ppm2 4.606 CV 1 ASSI { 152} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HA )) 3.000 1.100 1.100 peak 152 spectrum 1 weight 0.10000E+01 volume 0.20123E-02 ppm1 2.726 ppm2 4.606 CV 1 ASSI { 153} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 25 and name HA )) 4.900 3.000 1.100 peak 153 spectrum 1 weight 0.10000E+01 volume 0.61688E-03 ppm1 3.148 ppm2 4.068 CV 1 ASSI { 154} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 25 and name HA )) 4.700 2.800 1.300 peak 154 spectrum 1 weight 0.10000E+01 volume 0.59739E-03 ppm1 2.727 ppm2 4.071 CV 1 ASSI { 155} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 27 and name HN )) 4.600 2.700 1.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.39502E-03 ppm1 3.145 ppm2 8.892 CV 1 ASSI { 156} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 156 spectrum 1 weight 0.10000E+01 volume 0.59637E-03 ppm1 2.726 ppm2 8.897 CV 1 ASSI { 158} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HN )) 2.800 1.000 1.000 peak 158 spectrum 1 weight 0.10000E+01 volume 0.33134E-02 ppm1 3.147 ppm2 8.455 CV 1 ASSI { 159} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HN )) 2.600 0.800 0.800 peak 159 spectrum 1 weight 0.10000E+01 volume 0.30558E-02 ppm1 2.727 ppm2 8.457 CV 1 ASSI { 160} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 28 and name HN )) 4.200 2.200 1.800 peak 160 spectrum 1 weight 0.10000E+01 volume 0.24726E-03 ppm1 3.151 ppm2 8.351 CV 1 ASSI { 161} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 28 and name HN )) 4.300 2.300 1.700 peak 161 spectrum 1 weight 0.10000E+01 volume 0.30687E-03 ppm1 2.731 ppm2 8.347 CV 1 ASSI { 162} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HD22)) 4.200 2.300 1.800 peak 162 spectrum 1 weight 0.10000E+01 volume 0.86817E-03 ppm1 3.149 ppm2 7.523 CV 1 ASSI { 163} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HD22)) 3.900 1.900 1.900 peak 163 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 2.726 ppm2 7.525 CV 1 ASSI { 164} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 29 and name HN )) 4.000 2.000 2.000 peak 164 spectrum 1 weight 0.10000E+01 volume 0.40264E-03 ppm1 3.150 ppm2 7.361 CV 1 ASSI { 165} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 26 and name HD21)) 3.500 1.500 1.500 peak 165 spectrum 1 weight 0.10000E+01 volume 0.82036E-03 ppm1 3.151 ppm2 6.967 CV 1 ASSI { 166} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 26 and name HD21)) 3.100 1.200 1.200 peak 166 spectrum 1 weight 0.10000E+01 volume 0.94300E-03 ppm1 2.726 ppm2 6.968 CV 1 ASSI { 167} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 29 and name HN )) 4.200 2.200 1.800 peak 167 spectrum 1 weight 0.10000E+01 volume 0.34574E-03 ppm1 2.724 ppm2 7.360 CV 1 ASSI { 168} (( segid " " and resid 20 and name HA )) (( segid " " and resid 21 and name HA )) 4.100 2.100 1.900 peak 168 spectrum 1 weight 0.10000E+01 volume 0.48281E-03 ppm1 4.189 ppm2 4.739 CV 1 ASSI { 175} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HN )) 3.600 1.600 1.600 peak 175 spectrum 1 weight 0.10000E+01 volume 0.71886E-03 ppm1 1.709 ppm2 8.554 CV 1 ASSI { 176} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HA )) 3.000 1.100 1.100 peak 176 spectrum 1 weight 0.10000E+01 volume 0.28013E-02 ppm1 1.852 ppm2 4.191 CV 1 ASSI { 177} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HA )) 2.600 0.800 0.800 peak 177 spectrum 1 weight 0.10000E+01 volume 0.22666E-02 ppm1 1.709 ppm2 4.190 CV 1 ASSI { 179} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HD2 )) 2.900 1.000 1.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.23334E-02 ppm1 1.848 ppm2 3.129 CV 1 OR { 179} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HD1 )) ASSI { 186} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG1 )) 2.400 0.700 0.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.32159E-02 ppm1 1.710 ppm2 1.625 CV 1 ASSI { 191} (( segid " " and resid 20 and name HB1 )) (( segid " " and resid 20 and name HN )) 3.200 1.200 1.200 peak 191 spectrum 1 weight 0.10000E+01 volume 0.90215E-03 ppm1 1.855 ppm2 8.555 CV 1 ASSI { 194} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG2 )) 2.900 1.100 1.100 peak 194 spectrum 1 weight 0.10000E+01 volume 0.19657E-02 ppm1 4.187 ppm2 1.540 CV 1 ASSI { 195} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HG1 )) 2.900 1.100 1.100 peak 195 spectrum 1 weight 0.10000E+01 volume 0.13387E-02 ppm1 4.187 ppm2 1.626 CV 1 ASSI { 198} (( segid " " and resid 20 and name HA )) (( segid " " and resid 20 and name HN )) 3.200 1.300 1.300 peak 198 spectrum 1 weight 0.10000E+01 volume 0.57699E-03 ppm1 4.186 ppm2 8.552 CV 1 ASSI { 212} (( segid " " and resid 20 and name HD1 )) (( segid " " and resid 20 and name HA )) 3.800 1.800 1.800 peak 212 spectrum 1 weight 0.10000E+01 volume 0.16784E-02 ppm1 3.135 ppm2 4.189 CV 1 OR { 212} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HA )) ASSI { 218} (( segid " " and resid 20 and name HD1 )) (( segid " " and resid 20 and name HB2 )) 3.200 1.300 1.300 peak 218 spectrum 1 weight 0.10000E+01 volume 0.15406E-02 ppm1 3.135 ppm2 1.708 CV 1 OR { 218} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HB2 )) ASSI { 224} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HD1 )) 2.300 0.700 0.700 peak 224 spectrum 1 weight 0.10000E+01 volume 0.49823E-02 ppm1 1.609 ppm2 3.133 CV 1 OR { 224} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 20 and name HD2 )) ASSI { 226} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HA )) 2.800 1.000 1.000 peak 226 spectrum 1 weight 0.10000E+01 volume 0.29037E-02 ppm1 2.681 ppm2 4.698 CV 1 ASSI { 227} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HA )) 2.700 0.900 0.900 peak 227 spectrum 1 weight 0.10000E+01 volume 0.36325E-02 ppm1 2.489 ppm2 4.698 CV 1 ASSI { 228} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 21 and name HN )) 3.400 1.400 1.400 peak 228 spectrum 1 weight 0.10000E+01 volume 0.93614E-03 ppm1 2.678 ppm2 7.537 CV 1 ASSI { 229} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 21 and name HN )) 2.900 1.100 1.100 peak 229 spectrum 1 weight 0.10000E+01 volume 0.85902E-03 ppm1 2.486 ppm2 7.539 CV 1 ASSI { 230} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 20 and name HN )) 5.800 4.100 0.200 peak 230 spectrum 1 weight 0.10000E+01 volume 0.26297E-03 ppm1 2.682 ppm2 8.545 CV 1 ASSI { 231} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 20 and name HN )) 4.800 2.900 1.200 peak 231 spectrum 1 weight 0.10000E+01 volume 0.52684E-03 ppm1 2.487 ppm2 8.546 CV 1 ASSI { 234} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD1%) 2.000 0.500 0.500 peak 234 spectrum 1 weight 0.10000E+01 volume 0.58833E-02 ppm1 3.982 ppm2 0.657 CV 1 ASSI { 235} (( segid " " and resid 22 and name HA )) ( segid " " and resid 22 and name HD2%) 2.600 0.900 0.900 peak 235 spectrum 1 weight 0.10000E+01 volume 0.37666E-02 ppm1 3.981 ppm2 0.753 CV 1 ASSI { 240} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB2 )) 2.200 0.600 0.600 peak 240 spectrum 1 weight 0.10000E+01 volume 0.64673E-02 ppm1 3.981 ppm2 1.550 CV 1 OR { 240} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HB1 )) ASSI { 243} (( segid " " and resid 22 and name HG )) ( segid " " and resid 22 and name HD1%) 2.300 0.700 0.700 peak 243 spectrum 1 weight 0.10000E+01 volume 0.24221E-02 ppm1 1.531 ppm2 0.656 CV 1 ASSI { 244} (( segid " " and resid 22 and name HG )) ( segid " " and resid 22 and name HD2%) 2.300 0.700 0.700 peak 244 spectrum 1 weight 0.10000E+01 volume 0.31622E-02 ppm1 1.532 ppm2 0.747 CV 1 ASSI { 247} (( segid " " and resid 22 and name HG )) (( segid " " and resid 22 and name HA )) 3.300 1.300 1.300 peak 247 spectrum 1 weight 0.10000E+01 volume 0.19841E-02 ppm1 1.527 ppm2 3.982 CV 1 ASSI { 248} (( segid " " and resid 22 and name HG )) (( segid " " and resid 21 and name HA )) 4.500 2.600 1.500 peak 248 spectrum 1 weight 0.10000E+01 volume 0.54496E-03 ppm1 1.529 ppm2 4.721 CV 1 ASSI { 249} (( segid " " and resid 22 and name HG )) (( segid " " and resid 20 and name HN )) 4.100 2.100 1.900 peak 249 spectrum 1 weight 0.10000E+01 volume 0.12795E-02 ppm1 1.529 ppm2 8.544 CV 1 ASSI { 257} (( segid " " and resid 22 and name HA )) (( segid " " and resid 25 and name HN )) 3.500 1.600 1.600 peak 257 spectrum 1 weight 0.10000E+01 volume 0.68059E-03 ppm1 3.978 ppm2 7.346 CV 1 ASSI { 258} (( segid " " and resid 22 and name HA )) (( segid " " and resid 23 and name HN )) 2.900 1.000 1.000 peak 258 spectrum 1 weight 0.10000E+01 volume 0.12780E-02 ppm1 3.983 ppm2 8.209 CV 1 ASSI { 259} (( segid " " and resid 22 and name HA )) (( segid " " and resid 22 and name HN )) 2.700 0.900 0.900 peak 259 spectrum 1 weight 0.10000E+01 volume 0.81322E-03 ppm1 3.978 ppm2 8.542 CV 1 ASSI { 266} (( segid " " and resid 22 and name HA )) ( segid " " and resid 23 and name HB% ) 3.400 1.400 1.400 peak 266 spectrum 1 weight 0.10000E+01 volume 0.31874E-02 ppm1 3.981 ppm2 1.320 CV 1 ASSI { 273} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 24 and name HA2 )) 4.800 2.800 1.200 peak 273 spectrum 1 weight 0.10000E+01 volume 0.72273E-03 ppm1 0.657 ppm2 3.818 CV 1 ASSI { 279} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HN )) 4.700 2.800 1.300 peak 279 spectrum 1 weight 0.10000E+01 volume 0.19627E-03 ppm1 0.651 ppm2 8.548 CV 1 ASSI { 280} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HN )) 3.400 1.500 1.500 peak 280 spectrum 1 weight 0.10000E+01 volume 0.27375E-03 ppm1 0.746 ppm2 8.547 CV 1 ASSI { 281} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB2 )) 2.600 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.32255E-02 ppm1 0.650 ppm2 1.546 CV 1 OR { 281} ( segid " " and resid 22 and name HD1%) (( segid " " and resid 22 and name HB1 )) ASSI { 282} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB1 )) 2.600 0.900 0.900 peak 282 spectrum 1 weight 0.10000E+01 volume 0.33347E-02 ppm1 0.747 ppm2 1.543 CV 1 OR { 282} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 22 and name HB2 )) ASSI { 287} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 23 and name HB% ) 5.300 3.600 0.700 peak 287 spectrum 1 weight 0.10000E+01 volume 0.32411E-03 ppm1 0.746 ppm2 1.327 CV 1 ASSI { 301} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 32 and name HA )) 2.100 0.600 0.600 peak 301 spectrum 1 weight 0.10000E+01 volume 0.10357E-01 ppm1 1.379 ppm2 4.080 CV 1 ASSI { 304} (( segid " " and resid 23 and name HA )) (( segid " " and resid 24 and name HN )) 2.700 0.900 0.900 peak 304 spectrum 1 weight 0.10000E+01 volume 0.32603E-02 ppm1 4.065 ppm2 8.218 CV 1 ASSI { 307} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 23 and name HN )) 2.400 0.700 0.700 peak 307 spectrum 1 weight 0.10000E+01 volume 0.56769E-02 ppm1 1.338 ppm2 8.210 CV 1 ASSI { 315} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 315 spectrum 1 weight 0.10000E+01 volume 0.20877E-02 ppm1 2.957 ppm2 8.346 CV 1 ASSI { 316} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 28 and name HN )) 2.900 1.000 1.000 peak 316 spectrum 1 weight 0.10000E+01 volume 0.24809E-02 ppm1 2.503 ppm2 8.347 CV 1 ASSI { 317} (( segid " " and resid 28 and name HB2 )) (( segid " " and resid 29 and name HN )) 4.200 2.200 1.800 peak 317 spectrum 1 weight 0.10000E+01 volume 0.51925E-03 ppm1 2.502 ppm2 7.369 CV 1 ASSI { 318} (( segid " " and resid 28 and name HB1 )) (( segid " " and resid 29 and name HN )) 4.400 2.400 1.600 peak 318 spectrum 1 weight 0.10000E+01 volume 0.39259E-03 ppm1 2.959 ppm2 7.368 CV 1 ASSI { 319} (( segid " " and resid 28 and name HA )) (( segid " " and resid 28 and name HN )) 3.600 1.600 1.600 peak 319 spectrum 1 weight 0.10000E+01 volume 0.58953E-03 ppm1 4.954 ppm2 8.346 CV 1 ASSI { 320} (( segid " " and resid 28 and name HA )) (( segid " " and resid 29 and name HN )) 4.000 2.000 2.000 peak 320 spectrum 1 weight 0.10000E+01 volume 0.38473E-03 ppm1 4.956 ppm2 7.368 CV 1 ASSI { 327} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 34 and name HD2%) 3.200 1.300 1.300 peak 327 spectrum 1 weight 0.10000E+01 volume 0.15694E-02 ppm1 3.860 ppm2 0.862 CV 1 ASSI { 330} (( segid " " and resid 29 and name HB1 )) ( segid " " and resid 34 and name HD1%) 3.400 1.500 1.500 peak 330 spectrum 1 weight 0.10000E+01 volume 0.89307E-03 ppm1 3.866 ppm2 0.726 CV 1 ASSI { 331} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 34 and name HG )) 3.500 1.600 1.600 peak 331 spectrum 1 weight 0.10000E+01 volume 0.11049E-02 ppm1 3.862 ppm2 1.749 CV 1 ASSI { 332} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 34 and name HG )) 3.700 1.700 1.700 peak 332 spectrum 1 weight 0.10000E+01 volume 0.92036E-03 ppm1 3.760 ppm2 1.750 CV 1 ASSI { 333} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 33 and name HB2 )) 4.000 2.000 2.000 peak 333 spectrum 1 weight 0.10000E+01 volume 0.42888E-03 ppm1 3.863 ppm2 2.674 CV 1 ASSI { 334} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 33 and name HB1 )) 3.400 1.500 1.500 peak 334 spectrum 1 weight 0.10000E+01 volume 0.37552E-03 ppm1 3.867 ppm2 3.035 CV 1 ASSI { 338} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HA )) 3.200 1.300 1.300 peak 338 spectrum 1 weight 0.10000E+01 volume 0.20055E-02 ppm1 3.760 ppm2 4.525 CV 1 ASSI { 339} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HA )) 2.900 1.100 1.100 peak 339 spectrum 1 weight 0.10000E+01 volume 0.11864E-02 ppm1 3.865 ppm2 4.528 CV 1 ASSI { 340} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.400 1.400 1.400 peak 340 spectrum 1 weight 0.10000E+01 volume 0.10582E-02 ppm1 3.864 ppm2 9.193 CV 1 ASSI { 341} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 30 and name HN )) 4.300 2.300 1.700 peak 341 spectrum 1 weight 0.10000E+01 volume 0.92717E-03 ppm1 3.759 ppm2 9.193 CV 1 ASSI { 342} (( segid " " and resid 29 and name HB2 )) (( segid " " and resid 29 and name HN )) 2.900 1.000 1.000 peak 342 spectrum 1 weight 0.10000E+01 volume 0.11264E-02 ppm1 3.760 ppm2 7.368 CV 1 ASSI { 343} (( segid " " and resid 29 and name HB1 )) (( segid " " and resid 29 and name HN )) 4.100 2.100 1.900 peak 343 spectrum 1 weight 0.10000E+01 volume 0.96706E-03 ppm1 3.867 ppm2 7.370 CV 1 ASSI { 352} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HA )) 3.000 1.200 1.200 peak 352 spectrum 1 weight 0.10000E+01 volume 0.10185E-02 ppm1 4.480 ppm2 4.666 CV 1 ASSI { 354} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HA )) 3.000 1.100 1.100 peak 354 spectrum 1 weight 0.10000E+01 volume 0.17263E-02 ppm1 3.984 ppm2 4.662 CV 1 ASSI { 355} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.300 1.400 1.400 peak 355 spectrum 1 weight 0.10000E+01 volume 0.10743E-02 ppm1 4.482 ppm2 9.193 CV 1 ASSI { 356} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 30 and name HN )) 2.900 1.100 1.100 peak 356 spectrum 1 weight 0.10000E+01 volume 0.16885E-02 ppm1 3.982 ppm2 9.193 CV 1 ASSI { 359} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.700 1.700 1.700 peak 359 spectrum 1 weight 0.10000E+01 volume 0.60725E-03 ppm1 4.482 ppm2 8.569 CV 1 ASSI { 360} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HN )) 3.500 1.500 1.500 peak 360 spectrum 1 weight 0.10000E+01 volume 0.96673E-03 ppm1 3.984 ppm2 8.569 CV 1 ASSI { 361} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.300 1.300 1.300 peak 361 spectrum 1 weight 0.10000E+01 volume 0.74451E-03 ppm1 3.982 ppm2 8.475 CV 1 ASSI { 362} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 32 and name HN )) 4.200 2.200 1.800 peak 362 spectrum 1 weight 0.10000E+01 volume 0.24093E-03 ppm1 4.480 ppm2 8.478 CV 1 ASSI { 363} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 33 and name HA )) 3.900 1.900 1.900 peak 363 spectrum 1 weight 0.10000E+01 volume 0.11093E-02 ppm1 3.982 ppm2 4.376 CV 1 ASSI { 364} (( segid " " and resid 30 and name HB1 )) (( segid " " and resid 33 and name HA )) 4.500 2.600 1.500 peak 364 spectrum 1 weight 0.10000E+01 volume 0.75458E-03 ppm1 4.480 ppm2 4.376 CV 1 ASSI { 368} (( segid " " and resid 30 and name HB2 )) (( segid " " and resid 31 and name HA )) 5.100 3.300 0.900 peak 368 spectrum 1 weight 0.10000E+01 volume 0.17445E-03 ppm1 3.981 ppm2 3.879 CV 1 ASSI { 370} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 62 and name HA )) 2.900 1.000 1.000 peak 370 spectrum 1 weight 0.10000E+01 volume 0.10484E-02 ppm1 1.884 ppm2 3.707 CV 1 ASSI { 371} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 32 and name HN )) 3.200 1.300 1.300 peak 371 spectrum 1 weight 0.10000E+01 volume 0.76661E-03 ppm1 1.885 ppm2 8.476 CV 1 ASSI { 372} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 372 spectrum 1 weight 0.10000E+01 volume 0.13969E-02 ppm1 1.883 ppm2 8.569 CV 1 ASSI { 373} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 31 and name HN )) 2.900 1.000 1.000 peak 373 spectrum 1 weight 0.10000E+01 volume 0.92114E-03 ppm1 1.286 ppm2 8.570 CV 1 ASSI { 374} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 32 and name HN )) 3.800 1.800 1.800 peak 374 spectrum 1 weight 0.10000E+01 volume 0.52696E-03 ppm1 1.292 ppm2 8.476 CV 1 ASSI { 382} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 36 and name HB2 )) 4.200 2.200 1.800 peak 382 spectrum 1 weight 0.10000E+01 volume 0.48722E-03 ppm1 1.883 ppm2 1.183 CV 1 ASSI { 383} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 36 and name HB2 )) 4.400 2.500 1.600 peak 383 spectrum 1 weight 0.10000E+01 volume 0.64283E-03 ppm1 1.287 ppm2 1.186 CV 1 ASSI { 385} (( segid " " and resid 31 and name HB1 )) ( segid " " and resid 36 and name HD2%) 2.500 0.800 0.800 peak 385 spectrum 1 weight 0.10000E+01 volume 0.25822E-02 ppm1 1.884 ppm2 0.737 CV 1 ASSI { 387} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 31 and name HD2%) 2.800 1.000 1.000 peak 387 spectrum 1 weight 0.10000E+01 volume 0.22992E-02 ppm1 1.289 ppm2 0.852 CV 1 ASSI { 388} (( segid " " and resid 31 and name HB2 )) ( segid " " and resid 36 and name HD2%) 3.300 1.300 1.300 peak 388 spectrum 1 weight 0.10000E+01 volume 0.26729E-02 ppm1 1.288 ppm2 0.740 CV 1 ASSI { 392} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HN )) 3.100 1.200 1.200 peak 392 spectrum 1 weight 0.10000E+01 volume 0.97417E-03 ppm1 3.884 ppm2 8.570 CV 1 ASSI { 393} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB1 )) 2.800 1.000 1.000 peak 393 spectrum 1 weight 0.10000E+01 volume 0.23569E-02 ppm1 3.883 ppm2 1.883 CV 1 ASSI { 394} (( segid " " and resid 31 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.000 1.100 1.100 peak 394 spectrum 1 weight 0.10000E+01 volume 0.11973E-02 ppm1 3.882 ppm2 1.290 CV 1 ASSI { 395} (( segid " " and resid 31 and name HA )) ( segid " " and resid 31 and name HD2%) 3.700 1.700 1.700 peak 395 spectrum 1 weight 0.10000E+01 volume 0.11522E-02 ppm1 3.882 ppm2 0.853 CV 1 ASSI { 396} (( segid " " and resid 31 and name HA )) ( segid " " and resid 36 and name HD2%) 3.300 1.400 1.400 peak 396 spectrum 1 weight 0.10000E+01 volume 0.21546E-02 ppm1 3.882 ppm2 0.737 CV 1 ASSI { 398} (( segid " " and resid 31 and name HA )) (( segid " " and resid 35 and name HN )) 3.800 1.800 1.800 peak 398 spectrum 1 weight 0.10000E+01 volume 0.74565E-03 ppm1 3.882 ppm2 7.584 CV 1 ASSI { 399} (( segid " " and resid 31 and name HA )) (( segid " " and resid 34 and name HG )) 3.900 1.900 1.900 peak 399 spectrum 1 weight 0.10000E+01 volume 0.53803E-03 ppm1 3.881 ppm2 1.751 CV 1 ASSI { 400} (( segid " " and resid 31 and name HA )) (( segid " " and resid 34 and name HB2 )) 3.300 1.300 1.300 peak 400 spectrum 1 weight 0.10000E+01 volume 0.70134E-03 ppm1 3.881 ppm2 1.656 CV 1 ASSI { 401} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HA )) 2.400 0.700 0.700 peak 401 spectrum 1 weight 0.10000E+01 volume 0.58014E-02 ppm1 0.583 ppm2 3.880 CV 1 ASSI { 402} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB2 )) 2.600 0.900 0.900 peak 402 spectrum 1 weight 0.10000E+01 volume 0.29598E-02 ppm1 0.584 ppm2 1.289 CV 1 ASSI { 403} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HN )) 3.400 1.500 1.500 peak 403 spectrum 1 weight 0.10000E+01 volume 0.24796E-02 ppm1 0.584 ppm2 8.570 CV 1 ASSI { 404} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 66 and name HN )) 3.600 1.600 1.600 peak 404 spectrum 1 weight 0.10000E+01 volume 0.68701E-03 ppm1 0.584 ppm2 8.808 CV 1 ASSI { 406} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 30 and name HA )) 4.600 2.700 1.400 peak 406 spectrum 1 weight 0.10000E+01 volume 0.64922E-03 ppm1 0.585 ppm2 4.663 CV 1 ASSI { 408} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 31 and name HB1 )) 2.600 0.900 0.900 peak 408 spectrum 1 weight 0.10000E+01 volume 0.70086E-02 ppm1 0.583 ppm2 1.895 CV 1 ASSI { 409} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 62 and name HG1 )) 3.700 3.700 2.300 peak 409 spectrum 1 weight 0.10000E+01 volume 0.18525E-02 ppm1 0.583 ppm2 1.753 CV 1 ASSI { 410} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 34 and name HB2 )) 3.400 1.500 1.500 peak 410 spectrum 1 weight 0.10000E+01 volume 0.79223E-03 ppm1 0.583 ppm2 1.655 CV 1 ASSI { 411} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 64 and name HG )) 3.700 1.700 1.700 peak 411 spectrum 1 weight 0.10000E+01 volume 0.16225E-02 ppm1 0.583 ppm2 2.010 CV 1 ASSI { 413} ( segid " " and resid 31 and name HD1%) ( segid " " and resid 31 and name HD2%) 2.200 0.600 0.600 peak 413 spectrum 1 weight 0.10000E+01 volume 0.12644E-01 ppm1 0.584 ppm2 0.848 CV 1 ASSI { 416} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HN )) 4.200 2.200 1.800 peak 416 spectrum 1 weight 0.10000E+01 volume 0.57591E-03 ppm1 0.854 ppm2 8.568 CV 1 ASSI { 418} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 64 and name HG )) 3.300 1.300 1.300 peak 418 spectrum 1 weight 0.10000E+01 volume 0.21350E-02 ppm1 0.851 ppm2 2.021 CV 1 ASSI { 419} ( segid " " and resid 31 and name HD2%) (( segid " " and resid 31 and name HB1 )) 2.600 0.800 0.800 peak 419 spectrum 1 weight 0.10000E+01 volume 0.33473E-02 ppm1 0.852 ppm2 1.889 CV 1 ASSI { 425} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HN )) 3.500 1.500 1.500 peak 425 spectrum 1 weight 0.10000E+01 volume 0.15201E-02 ppm1 1.905 ppm2 8.569 CV 1 ASSI { 426} (( segid " " and resid 31 and name HG )) (( segid " " and resid 31 and name HA )) 3.800 1.800 1.800 peak 426 spectrum 1 weight 0.10000E+01 volume 0.42258E-03 ppm1 1.893 ppm2 3.882 CV 1 ASSI { 427} (( segid " " and resid 31 and name HG )) ( segid " " and resid 31 and name HD1%) 3.100 1.200 1.200 peak 427 spectrum 1 weight 0.10000E+01 volume 0.93704E-03 ppm1 1.903 ppm2 0.586 CV 1 ASSI { 430} (( segid " " and resid 32 and name HA )) (( segid " " and resid 36 and name HN )) 2.900 1.000 1.000 peak 430 spectrum 1 weight 0.10000E+01 volume 0.17000E-02 ppm1 4.079 ppm2 7.696 CV 1 ASSI { 431} (( segid " " and resid 32 and name HA )) (( segid " " and resid 32 and name HN )) 2.800 1.000 1.000 peak 431 spectrum 1 weight 0.10000E+01 volume 0.23051E-02 ppm1 4.081 ppm2 8.475 CV 1 ASSI { 433} (( segid " " and resid 32 and name HA )) (( segid " " and resid 62 and name HG2 )) 3.000 3.000 3.000 peak 433 spectrum 1 weight 0.10000E+01 volume 0.17930E-02 ppm1 4.083 ppm2 1.459 CV 1 ASSI { 435} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 62 and name HN )) 4.400 2.400 1.600 peak 435 spectrum 1 weight 0.10000E+01 volume 0.75044E-03 ppm1 1.380 ppm2 7.824 CV 1 ASSI { 436} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 36 and name HN )) 4.400 2.400 1.600 peak 436 spectrum 1 weight 0.10000E+01 volume 0.62111E-03 ppm1 1.380 ppm2 7.701 CV 1 ASSI { 437} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 35 and name HN )) 4.000 2.000 2.000 peak 437 spectrum 1 weight 0.10000E+01 volume 0.94861E-03 ppm1 1.380 ppm2 7.586 CV 1 ASSI { 439} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 33 and name HN )) 2.500 0.800 0.800 peak 439 spectrum 1 weight 0.10000E+01 volume 0.47123E-02 ppm1 1.380 ppm2 8.074 CV 1 ASSI { 440} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 32 and name HN )) 2.100 0.600 0.600 peak 440 spectrum 1 weight 0.10000E+01 volume 0.10687E-01 ppm1 1.380 ppm2 8.474 CV 1 ASSI { 441} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 63 and name HN )) 4.000 2.000 2.000 peak 441 spectrum 1 weight 0.10000E+01 volume 0.66889E-03 ppm1 1.380 ppm2 6.831 CV 1 ASSI { 442} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 31 and name HN )) 4.400 2.400 1.600 peak 442 spectrum 1 weight 0.10000E+01 volume 0.72495E-03 ppm1 1.381 ppm2 8.569 CV 1 ASSI { 444} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 30 and name HB1 )) 3.700 1.700 1.700 peak 444 spectrum 1 weight 0.10000E+01 volume 0.90155E-03 ppm1 1.380 ppm2 4.482 CV 1 ASSI { 446} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 62 and name HA )) 3.300 1.400 1.400 peak 446 spectrum 1 weight 0.10000E+01 volume 0.17836E-02 ppm1 1.379 ppm2 3.705 CV 1 ASSI { 448} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 33 and name HB1 )) 4.200 2.200 1.800 peak 448 spectrum 1 weight 0.10000E+01 volume 0.12176E-02 ppm1 1.381 ppm2 3.047 CV 1 ASSI { 449} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 31 and name HB1 )) 2.900 2.900 3.100 peak 449 spectrum 1 weight 0.10000E+01 volume 0.47432E-02 ppm1 1.380 ppm2 1.868 CV 1 ASSI { 450} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 62 and name HB2 )) 3.200 1.300 1.300 peak 450 spectrum 1 weight 0.10000E+01 volume 0.35216E-02 ppm1 1.380 ppm2 1.763 CV 1 ASSI { 454} (( segid " " and resid 32 and name HA )) ( segid " " and resid 34 and name HD1%) 3.700 1.700 1.700 peak 454 spectrum 1 weight 0.10000E+01 volume 0.12115E-02 ppm1 4.079 ppm2 0.742 CV 1 ASSI { 456} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 30 and name HB2 )) 3.500 1.500 1.500 peak 456 spectrum 1 weight 0.10000E+01 volume 0.80467E-03 ppm1 1.382 ppm2 3.977 CV 1 ASSI { 458} (( segid " " and resid 32 and name HA )) (( segid " " and resid 33 and name HN )) 4.100 2.100 1.900 peak 458 spectrum 1 weight 0.10000E+01 volume 0.30927E-03 ppm1 4.082 ppm2 8.074 CV 1 ASSI { 460} (( segid " " and resid 32 and name HA )) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 460 spectrum 1 weight 0.10000E+01 volume 0.59064E-03 ppm1 4.078 ppm2 7.601 CV 1 ASSI { 464} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HG )) 3.500 1.500 1.500 peak 464 spectrum 1 weight 0.10000E+01 volume 0.75635E-03 ppm1 4.308 ppm2 1.746 CV 1 ASSI { 465} (( segid " " and resid 34 and name HA )) (( segid " " and resid 34 and name HB2 )) 3.100 1.200 1.200 peak 465 spectrum 1 weight 0.10000E+01 volume 0.23780E-02 ppm1 4.309 ppm2 1.657 CV 1 ASSI { 469} (( segid " " and resid 34 and name HA )) (( segid " " and resid 35 and name HN )) 3.300 1.300 1.300 peak 469 spectrum 1 weight 0.10000E+01 volume 0.14856E-02 ppm1 4.311 ppm2 7.582 CV 1 ASSI { 470} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 31 and name HA )) 4.000 2.000 2.000 peak 470 spectrum 1 weight 0.10000E+01 volume 0.12549E-02 ppm1 1.873 ppm2 3.879 CV 1 ASSI { 472} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HA )) 2.900 1.100 1.100 peak 472 spectrum 1 weight 0.10000E+01 volume 0.13672E-02 ppm1 1.872 ppm2 4.308 CV 1 ASSI { 474} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 474 spectrum 1 weight 0.10000E+01 volume 0.18716E-02 ppm1 1.875 ppm2 7.578 CV 1 ASSI { 475} (( segid " " and resid 34 and name HB2 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 475 spectrum 1 weight 0.10000E+01 volume 0.14449E-02 ppm1 1.654 ppm2 7.581 CV 1 ASSI { 487} (( segid " " and resid 34 and name HB1 )) (( segid " " and resid 34 and name HG )) 3.000 1.100 1.100 peak 487 spectrum 1 weight 0.10000E+01 volume 0.12217E-02 ppm1 1.875 ppm2 1.749 CV 1 ASSI { 491} (( segid " " and resid 34 and name HG )) ( segid " " and resid 34 and name HD1%) 2.400 0.700 0.700 peak 491 spectrum 1 weight 0.10000E+01 volume 0.52999E-02 ppm1 1.744 ppm2 0.726 CV 1 ASSI { 493} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HB2 )) 2.900 1.100 1.100 peak 493 spectrum 1 weight 0.10000E+01 volume 0.26623E-02 ppm1 4.306 ppm2 1.534 CV 1 ASSI { 497} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 497 spectrum 1 weight 0.10000E+01 volume 0.26674E-02 ppm1 4.306 ppm2 7.705 CV 1 ASSI { 498} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HA )) 2.800 1.000 1.000 peak 498 spectrum 1 weight 0.10000E+01 volume 0.12540E-02 ppm1 1.816 ppm2 4.304 CV 1 ASSI { 500} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HN )) 3.400 1.500 1.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.19901E-02 ppm1 1.816 ppm2 7.707 CV 1 ASSI { 501} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HN )) 2.500 0.800 0.800 peak 501 spectrum 1 weight 0.10000E+01 volume 0.19201E-02 ppm1 1.526 ppm2 7.707 CV 1 ASSI { 502} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 19 and name HN )) 4.900 3.000 1.100 peak 502 spectrum 1 weight 0.10000E+01 volume 0.59115E-03 ppm1 1.817 ppm2 8.045 CV 1 ASSI { 503} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.800 peak 503 spectrum 1 weight 0.10000E+01 volume 0.34685E-03 ppm1 1.525 ppm2 8.036 CV 1 ASSI { 507} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 17 and name HG )) 2.500 0.800 0.800 peak 507 spectrum 1 weight 0.10000E+01 volume 0.20601E-02 ppm1 1.527 ppm2 1.651 CV 1 ASSI { 510} (( segid " " and resid 17 and name HB1 )) (( segid " " and resid 17 and name HG )) 3.100 1.200 1.200 peak 510 spectrum 1 weight 0.10000E+01 volume 0.14955E-02 ppm1 1.821 ppm2 1.654 CV 1 ASSI { 512} (( segid " " and resid 17 and name HB2 )) (( segid " " and resid 19 and name HG12)) 2.800 1.000 1.000 peak 512 spectrum 1 weight 0.10000E+01 volume 0.48578E-03 ppm1 1.525 ppm2 1.011 CV 1 ASSI { 514} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 17 and name HD2%) 2.600 0.900 0.900 peak 514 spectrum 1 weight 0.10000E+01 volume 0.29676E-02 ppm1 1.819 ppm2 0.766 CV 1 OR { 514} (( segid " " and resid 17 and name HB1 )) ( segid " " and resid 17 and name HD1%) ASSI { 515} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 19 and name HD1%) 2.800 1.000 1.000 peak 515 spectrum 1 weight 0.10000E+01 volume 0.11510E-02 ppm1 1.526 ppm2 0.848 CV 1 ASSI { 516} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HD2%) 2.700 0.900 0.900 peak 516 spectrum 1 weight 0.10000E+01 volume 0.41220E-02 ppm1 1.526 ppm2 0.766 CV 1 OR { 516} (( segid " " and resid 17 and name HB2 )) ( segid " " and resid 17 and name HD1%) ASSI { 519} (( segid " " and resid 17 and name HA )) (( segid " " and resid 17 and name HG )) 3.300 1.400 1.400 peak 519 spectrum 1 weight 0.10000E+01 volume 0.15114E-02 ppm1 4.302 ppm2 1.645 CV 1 ASSI { 521} (( segid " " and resid 17 and name HG )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 521 spectrum 1 weight 0.10000E+01 volume 0.16186E-02 ppm1 1.657 ppm2 7.706 CV 1 ASSI { 523} (( segid " " and resid 39 and name HG )) (( segid " " and resid 40 and name HN )) 3.800 1.800 1.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.84969E-03 ppm1 1.654 ppm2 9.315 CV 1 ASSI { 524} (( segid " " and resid 39 and name HG )) (( segid " " and resid 39 and name HN )) 3.500 1.600 1.600 peak 524 spectrum 1 weight 0.10000E+01 volume 0.24041E-02 ppm1 1.653 ppm2 7.799 CV 1 ASSI { 538} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 36 and name HB2 )) 3.800 1.800 1.800 peak 538 spectrum 1 weight 0.10000E+01 volume 0.13061E-02 ppm1 0.771 ppm2 1.180 CV 1 OR { 538} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 36 and name HB2 )) OR { 538} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 36 and name HB2 )) ASSI { 540} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HG )) 2.200 0.600 0.600 peak 540 spectrum 1 weight 0.10000E+01 volume 0.62579E-02 ppm1 0.771 ppm2 1.655 CV 1 OR { 540} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 17 and name HG )) ASSI { 541} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 19 and name HG11)) 3.300 1.400 1.400 peak 541 spectrum 1 weight 0.10000E+01 volume 0.28791E-02 ppm1 0.772 ppm2 1.446 CV 1 ASSI { 543} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 16 and name HA )) 3.600 1.600 1.600 peak 543 spectrum 1 weight 0.10000E+01 volume 0.42663E-03 ppm1 0.773 ppm2 3.597 CV 1 OR { 543} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 16 and name HA )) ASSI { 545} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 17 and name HA )) 2.400 0.700 0.700 peak 545 spectrum 1 weight 0.10000E+01 volume 0.62417E-02 ppm1 0.771 ppm2 4.307 CV 1 OR { 545} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HA )) ASSI { 546} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 546 spectrum 1 weight 0.10000E+01 volume 0.34337E-02 ppm1 0.771 ppm2 7.702 CV 1 OR { 546} ( segid " " and resid 17 and name HD2%) (( segid " " and resid 17 and name HN )) ASSI { 553} ( segid " " and resid 17 and name HD1%) ( segid " " and resid 19 and name HG2%) 3.900 1.900 1.900 peak 553 spectrum 1 weight 0.10000E+01 volume 0.29997E-02 ppm1 0.770 ppm2 0.690 CV 1 ASSI { 555} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB2 )) 3.100 1.200 1.200 peak 555 spectrum 1 weight 0.10000E+01 volume 0.17190E-02 ppm1 4.069 ppm2 1.797 CV 1 ASSI { 556} (( segid " " and resid 40 and name HA )) (( segid " " and resid 40 and name HB1 )) 2.700 0.900 0.900 peak 556 spectrum 1 weight 0.10000E+01 volume 0.19049E-02 ppm1 4.069 ppm2 1.886 CV 1 ASSI { 557} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 37 and name HN )) 4.800 2.800 1.200 peak 557 spectrum 1 weight 0.10000E+01 volume 0.64307E-03 ppm1 1.881 ppm2 7.875 CV 1 ASSI { 558} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.300 1.300 1.300 peak 558 spectrum 1 weight 0.10000E+01 volume 0.88230E-03 ppm1 1.797 ppm2 7.871 CV 1 ASSI { 559} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 38 and name HN )) 3.800 1.800 1.800 peak 559 spectrum 1 weight 0.10000E+01 volume 0.52837E-03 ppm1 1.801 ppm2 8.366 CV 1 ASSI { 560} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 38 and name HN )) 5.200 3.400 0.800 peak 560 spectrum 1 weight 0.10000E+01 volume 0.43734E-03 ppm1 1.876 ppm2 8.361 CV 1 ASSI { 563} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HN )) 4.000 2.000 2.000 peak 563 spectrum 1 weight 0.10000E+01 volume 0.78665E-03 ppm1 1.881 ppm2 9.316 CV 1 ASSI { 564} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HN )) 2.800 1.000 1.000 peak 564 spectrum 1 weight 0.10000E+01 volume 0.74361E-03 ppm1 1.803 ppm2 9.315 CV 1 ASSI { 568} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HG1 )) 4.000 2.000 2.000 peak 568 spectrum 1 weight 0.10000E+01 volume 0.46445E-03 ppm1 1.880 ppm2 2.921 CV 1 ASSI { 569} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG1 )) 3.000 1.100 1.100 peak 569 spectrum 1 weight 0.10000E+01 volume 0.67159E-03 ppm1 1.800 ppm2 2.920 CV 1 ASSI { 570} (( segid " " and resid 40 and name HB2 )) (( segid " " and resid 40 and name HG2 )) 3.600 1.600 1.600 peak 570 spectrum 1 weight 0.10000E+01 volume 0.73623E-03 ppm1 1.799 ppm2 2.515 CV 1 ASSI { 572} (( segid " " and resid 40 and name HB1 )) (( segid " " and resid 40 and name HG2 )) 3.500 1.500 1.500 peak 572 spectrum 1 weight 0.10000E+01 volume 0.30030E-03 ppm1 1.884 ppm2 2.515 CV 1 ASSI { 578} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 36 and name HD1%) 4.000 2.000 2.000 peak 578 spectrum 1 weight 0.10000E+01 volume 0.84729E-03 ppm1 1.882 ppm2 0.707 CV 1 ASSI { 579} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 36 and name HD1%) 3.300 1.400 1.400 peak 579 spectrum 1 weight 0.10000E+01 volume 0.84436E-03 ppm1 1.795 ppm2 0.709 CV 1 ASSI { 580} (( segid " " and resid 40 and name HB1 )) ( segid " " and resid 39 and name HD2%) 4.300 2.300 1.700 peak 580 spectrum 1 weight 0.10000E+01 volume 0.72195E-03 ppm1 1.878 ppm2 0.906 CV 1 ASSI { 581} (( segid " " and resid 40 and name HB2 )) ( segid " " and resid 39 and name HD2%) 4.000 2.000 2.000 peak 581 spectrum 1 weight 0.10000E+01 volume 0.10121E-02 ppm1 1.798 ppm2 0.903 CV 1 ASSI { 587} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HA )) 2.900 1.100 1.100 peak 587 spectrum 1 weight 0.10000E+01 volume 0.15919E-02 ppm1 1.848 ppm2 3.823 CV 1 ASSI { 589} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 48 and name HN )) 3.700 3.700 2.300 peak 589 spectrum 1 weight 0.10000E+01 volume 0.12259E-02 ppm1 2.097 ppm2 8.105 CV 1 ASSI { 590} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 48 and name HN )) 4.200 2.200 1.800 peak 590 spectrum 1 weight 0.10000E+01 volume 0.67654E-03 ppm1 1.846 ppm2 8.109 CV 1 ASSI { 591} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HN )) 3.300 1.400 1.400 peak 591 spectrum 1 weight 0.10000E+01 volume 0.14312E-02 ppm1 2.103 ppm2 8.410 CV 1 ASSI { 592} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HN )) 2.500 0.800 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.20157E-02 ppm1 1.848 ppm2 8.411 CV 1 ASSI { 600} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HG2 )) 2.700 0.900 0.900 peak 600 spectrum 1 weight 0.10000E+01 volume 0.17878E-02 ppm1 2.099 ppm2 1.667 CV 1 ASSI { 601} (( segid " " and resid 45 and name HB2 )) (( segid " " and resid 45 and name HG2 )) 2.200 0.600 0.600 peak 601 spectrum 1 weight 0.10000E+01 volume 0.12041E-01 ppm1 1.861 ppm2 1.676 CV 1 ASSI { 609} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG2 )) 3.700 1.700 1.700 peak 609 spectrum 1 weight 0.10000E+01 volume 0.47102E-03 ppm1 3.824 ppm2 1.663 CV 1 ASSI { 610} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HN )) 3.200 1.300 1.300 peak 610 spectrum 1 weight 0.10000E+01 volume 0.82702E-03 ppm1 3.828 ppm2 8.409 CV 1 ASSI { 611} (( segid " " and resid 45 and name HA )) (( segid " " and resid 48 and name HN )) 3.600 1.600 1.600 peak 611 spectrum 1 weight 0.10000E+01 volume 0.42252E-03 ppm1 3.825 ppm2 8.119 CV 1 ASSI { 612} (( segid " " and resid 45 and name HA )) (( segid " " and resid 47 and name HN )) 3.700 1.700 1.700 peak 612 spectrum 1 weight 0.10000E+01 volume 0.46787E-03 ppm1 3.830 ppm2 7.927 CV 1 ASSI { 615} (( segid " " and resid 45 and name HA )) (( segid " " and resid 45 and name HG1 )) 3.400 1.400 1.400 peak 615 spectrum 1 weight 0.10000E+01 volume 0.64550E-03 ppm1 3.829 ppm2 1.960 CV 1 ASSI { 617} (( segid " " and resid 45 and name HA )) ( segid " " and resid 44 and name HG1%) 3.400 1.400 1.400 peak 617 spectrum 1 weight 0.10000E+01 volume 0.94336E-03 ppm1 3.824 ppm2 0.716 CV 1 ASSI { 618} (( segid " " and resid 45 and name HB1 )) (( segid " " and resid 45 and name HA )) 3.000 1.100 1.100 peak 618 spectrum 1 weight 0.10000E+01 volume 0.14351E-02 ppm1 2.095 ppm2 3.829 CV 1 ASSI { 620} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB2 )) 2.400 0.700 0.700 peak 620 spectrum 1 weight 0.10000E+01 volume 0.58881E-02 ppm1 4.290 ppm2 3.258 CV 1 OR { 620} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HB1 )) ASSI { 621} (( segid " " and resid 15 and name HA )) (( segid " " and resid 18 and name HN )) 3.200 1.300 1.300 peak 621 spectrum 1 weight 0.10000E+01 volume 0.10378E-02 ppm1 4.293 ppm2 7.744 CV 1 ASSI { 622} (( segid " " and resid 15 and name HA )) (( segid " " and resid 15 and name HN )) 2.600 0.900 0.900 peak 622 spectrum 1 weight 0.10000E+01 volume 0.32603E-02 ppm1 4.289 ppm2 8.033 CV 1 ASSI { 623} (( segid " " and resid 15 and name HA )) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 623 spectrum 1 weight 0.10000E+01 volume 0.58134E-03 ppm1 4.290 ppm2 7.596 CV 1 ASSI { 628} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 12 and name HA )) 2.900 1.100 1.100 peak 628 spectrum 1 weight 0.10000E+01 volume 0.19599E-02 ppm1 3.259 ppm2 4.103 CV 1 OR { 628} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 12 and name HA )) ASSI { 629} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 16 and name HN )) 2.800 1.000 1.000 peak 629 spectrum 1 weight 0.10000E+01 volume 0.19700E-02 ppm1 3.257 ppm2 7.597 CV 1 OR { 629} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 16 and name HN )) ASSI { 630} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 15 and name HN )) 2.500 0.800 0.800 peak 630 spectrum 1 weight 0.10000E+01 volume 0.40261E-02 ppm1 3.260 ppm2 8.031 CV 1 OR { 630} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 15 and name HN )) ASSI { 635} (( segid " " and resid 15 and name HB1 )) ( segid " " and resid 16 and name HD1%) 4.200 2.200 1.800 peak 635 spectrum 1 weight 0.10000E+01 volume 0.40864E-03 ppm1 3.257 ppm2 0.776 CV 1 OR { 635} (( segid " " and resid 15 and name HB2 )) ( segid " " and resid 16 and name HD1%) ASSI { 637} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HB )) 2.900 1.000 1.000 peak 637 spectrum 1 weight 0.10000E+01 volume 0.20893E-02 ppm1 3.585 ppm2 2.001 CV 1 ASSI { 639} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HG12)) 2.700 0.900 0.900 peak 639 spectrum 1 weight 0.10000E+01 volume 0.38146E-02 ppm1 3.584 ppm2 1.225 CV 1 ASSI { 640} (( segid " " and resid 16 and name HA )) ( segid " " and resid 16 and name HG2%) 2.500 0.800 0.800 peak 640 spectrum 1 weight 0.10000E+01 volume 0.52759E-02 ppm1 3.584 ppm2 0.901 CV 1 ASSI { 642} (( segid " " and resid 16 and name HA )) (( segid " " and resid 17 and name HN )) 3.400 1.400 1.400 peak 642 spectrum 1 weight 0.10000E+01 volume 0.78791E-03 ppm1 3.583 ppm2 7.703 CV 1 ASSI { 644} (( segid " " and resid 16 and name HA )) (( segid " " and resid 16 and name HN )) 2.700 0.900 0.900 peak 644 spectrum 1 weight 0.10000E+01 volume 0.23401E-02 ppm1 3.584 ppm2 7.599 CV 1 ASSI { 647} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HN )) 2.500 0.800 0.800 peak 647 spectrum 1 weight 0.10000E+01 volume 0.34319E-02 ppm1 1.999 ppm2 7.601 CV 1 ASSI { 648} (( segid " " and resid 16 and name HB )) (( segid " " and resid 17 and name HN )) 2.700 0.900 0.900 peak 648 spectrum 1 weight 0.10000E+01 volume 0.15285E-02 ppm1 2.001 ppm2 7.700 CV 1 ASSI { 654} (( segid " " and resid 16 and name HB )) (( segid " " and resid 16 and name HG11)) 2.800 1.000 1.000 peak 654 spectrum 1 weight 0.10000E+01 volume 0.13818E-02 ppm1 2.002 ppm2 1.791 CV 1 ASSI { 661} (( segid " " and resid 16 and name HG12)) ( segid " " and resid 16 and name HD1%) 2.300 0.600 0.600 peak 661 spectrum 1 weight 0.10000E+01 volume 0.55372E-02 ppm1 1.222 ppm2 0.773 CV 1 ASSI { 663} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 16 and name HB )) 2.400 0.700 0.700 peak 663 spectrum 1 weight 0.10000E+01 volume 0.31958E-02 ppm1 1.215 ppm2 2.003 CV 1 ASSI { 664} (( segid " " and resid 16 and name HG12)) (( segid " " and resid 16 and name HN )) 2.400 0.700 0.700 peak 664 spectrum 1 weight 0.10000E+01 volume 0.17389E-02 ppm1 1.220 ppm2 7.597 CV 1 ASSI { 666} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HG12)) 3.300 1.400 1.400 peak 666 spectrum 1 weight 0.10000E+01 volume 0.34496E-02 ppm1 0.903 ppm2 1.225 CV 1 ASSI { 668} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HB )) 2.300 0.600 0.600 peak 668 spectrum 1 weight 0.10000E+01 volume 0.57498E-02 ppm1 0.903 ppm2 2.000 CV 1 ASSI { 675} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 40 and name HA )) 2.800 2.800 3.200 peak 675 spectrum 1 weight 0.10000E+01 volume 0.31044E-02 ppm1 0.902 ppm2 4.061 CV 1 ASSI { 676} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HA )) 3.500 1.500 1.500 peak 676 spectrum 1 weight 0.10000E+01 volume 0.94438E-03 ppm1 0.903 ppm2 4.303 CV 1 ASSI { 678} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 678 spectrum 1 weight 0.10000E+01 volume 0.20680E-02 ppm1 0.903 ppm2 7.598 CV 1 ASSI { 679} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 17 and name HN )) 3.600 1.600 1.600 peak 679 spectrum 1 weight 0.10000E+01 volume 0.11824E-02 ppm1 0.903 ppm2 7.701 CV 1 ASSI { 681} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 40 and name HN )) 3.800 1.800 1.800 peak 681 spectrum 1 weight 0.10000E+01 volume 0.79172E-03 ppm1 0.903 ppm2 9.318 CV 1 ASSI { 684} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 16 and name HG11)) 2.400 0.700 0.700 peak 684 spectrum 1 weight 0.10000E+01 volume 0.47714E-02 ppm1 0.903 ppm2 1.788 CV 1 ASSI { 689} (( segid " " and resid 17 and name HA )) (( segid " " and resid 18 and name HA2 )) 5.100 3.200 0.900 peak 689 spectrum 1 weight 0.10000E+01 volume 0.23067E-03 ppm1 4.309 ppm2 3.671 CV 1 ASSI { 691} (( segid " " and resid 17 and name HA )) ( segid " " and resid 17 and name HD2%) 2.500 0.800 0.800 peak 691 spectrum 1 weight 0.10000E+01 volume 0.40810E-02 ppm1 4.307 ppm2 0.772 CV 1 ASSI { 692} (( segid " " and resid 17 and name HA )) ( segid " " and resid 19 and name HG2%) 5.300 3.500 0.700 peak 692 spectrum 1 weight 0.10000E+01 volume 0.34568E-03 ppm1 4.307 ppm2 0.688 CV 1 ASSI { 697} (( segid " " and resid 17 and name HG )) (( segid " " and resid 14 and name HA )) 3.300 1.400 1.400 peak 697 spectrum 1 weight 0.10000E+01 volume 0.69370E-03 ppm1 1.660 ppm2 3.825 CV 1 ASSI { 698} (( segid " " and resid 17 and name HG )) ( segid " " and resid 17 and name HD2%) 2.500 0.800 0.800 peak 698 spectrum 1 weight 0.10000E+01 volume 0.33917E-02 ppm1 1.656 ppm2 0.773 CV 1 ASSI { 699} (( segid " " and resid 17 and name HG )) ( segid " " and resid 19 and name HG2%) 5.300 3.500 0.700 peak 699 spectrum 1 weight 0.10000E+01 volume 0.57045E-03 ppm1 1.657 ppm2 0.693 CV 1 ASSI { 700} (( segid " " and resid 17 and name HG )) ( segid " " and resid 14 and name HB% ) 5.000 3.100 1.000 peak 700 spectrum 1 weight 0.10000E+01 volume 0.30225E-03 ppm1 1.657 ppm2 1.418 CV 1 ASSI { 701} (( segid " " and resid 17 and name HG )) ( segid " " and resid 19 and name HD1%) 3.800 1.800 1.800 peak 701 spectrum 1 weight 0.10000E+01 volume 0.95338E-03 ppm1 1.659 ppm2 0.855 CV 1 ASSI { 702} (( segid " " and resid 17 and name HG )) ( segid " " and resid 16 and name HG2%) 3.600 1.600 1.600 peak 702 spectrum 1 weight 0.10000E+01 volume 0.11375E-02 ppm1 1.657 ppm2 0.926 CV 1 ASSI { 706} (( segid " " and resid 18 and name HA2 )) (( segid " " and resid 19 and name HN )) 3.000 1.100 1.100 peak 706 spectrum 1 weight 0.10000E+01 volume 0.14847E-02 ppm1 3.662 ppm2 8.045 CV 1 ASSI { 708} (( segid " " and resid 18 and name HA1 )) (( segid " " and resid 18 and name HN )) 2.800 1.000 1.000 peak 708 spectrum 1 weight 0.10000E+01 volume 0.44427E-02 ppm1 3.999 ppm2 7.750 CV 1 ASSI { 709} (( segid " " and resid 18 and name HA2 )) (( segid " " and resid 18 and name HN )) 2.300 0.600 0.600 peak 709 spectrum 1 weight 0.10000E+01 volume 0.51997E-02 ppm1 3.662 ppm2 7.751 CV 1 ASSI { 710} (( segid " " and resid 18 and name HA1 )) (( segid " " and resid 19 and name HN )) 3.600 1.600 1.600 peak 710 spectrum 1 weight 0.10000E+01 volume 0.13386E-02 ppm1 3.997 ppm2 8.043 CV 1 ASSI { 712} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HN )) 2.300 0.700 0.700 peak 712 spectrum 1 weight 0.10000E+01 volume 0.31847E-02 ppm1 3.896 ppm2 8.551 CV 1 ASSI { 713} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 713 spectrum 1 weight 0.10000E+01 volume 0.17746E-02 ppm1 3.896 ppm2 8.045 CV 1 ASSI { 714} (( segid " " and resid 19 and name HB )) (( segid " " and resid 19 and name HN )) 2.700 0.900 0.900 peak 714 spectrum 1 weight 0.10000E+01 volume 0.43482E-02 ppm1 1.577 ppm2 8.046 CV 1 ASSI { 715} (( segid " " and resid 19 and name HB )) (( segid " " and resid 18 and name HN )) 4.600 2.700 1.400 peak 715 spectrum 1 weight 0.10000E+01 volume 0.65341E-03 ppm1 1.576 ppm2 7.747 CV 1 ASSI { 717} (( segid " " and resid 19 and name HB )) (( segid " " and resid 19 and name HG12)) 3.000 1.100 1.100 peak 717 spectrum 1 weight 0.10000E+01 volume 0.15651E-02 ppm1 1.577 ppm2 1.016 CV 1 ASSI { 718} (( segid " " and resid 19 and name HB )) ( segid " " and resid 19 and name HD1%) 2.400 0.700 0.700 peak 718 spectrum 1 weight 0.10000E+01 volume 0.37888E-02 ppm1 1.578 ppm2 0.842 CV 1 ASSI { 723} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG12)) 2.900 1.000 1.000 peak 723 spectrum 1 weight 0.10000E+01 volume 0.23550E-02 ppm1 3.895 ppm2 1.014 CV 1 ASSI { 724} (( segid " " and resid 19 and name HA )) ( segid " " and resid 19 and name HD1%) 4.000 2.000 2.000 peak 724 spectrum 1 weight 0.10000E+01 volume 0.18258E-02 ppm1 3.896 ppm2 0.850 CV 1 ASSI { 725} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HB )) 2.900 1.000 1.000 peak 725 spectrum 1 weight 0.10000E+01 volume 0.15613E-02 ppm1 3.896 ppm2 1.573 CV 1 ASSI { 726} (( segid " " and resid 19 and name HA )) (( segid " " and resid 19 and name HG11)) 3.300 1.400 1.400 peak 726 spectrum 1 weight 0.10000E+01 volume 0.15324E-02 ppm1 3.895 ppm2 1.465 CV 1 ASSI { 727} (( segid " " and resid 19 and name HA )) (( segid " " and resid 20 and name HA )) 4.200 2.200 1.800 peak 727 spectrum 1 weight 0.10000E+01 volume 0.62672E-03 ppm1 3.896 ppm2 4.187 CV 1 ASSI { 744} (( segid " " and resid 19 and name HG11)) ( segid " " and resid 19 and name HG2%) 2.800 1.000 1.000 peak 744 spectrum 1 weight 0.10000E+01 volume 0.57624E-02 ppm1 1.455 ppm2 0.705 CV 1 ASSI { 745} (( segid " " and resid 19 and name HG11)) ( segid " " and resid 19 and name HD1%) 1.900 0.400 0.400 peak 745 spectrum 1 weight 0.10000E+01 volume 0.11590E-01 ppm1 1.452 ppm2 0.841 CV 1 ASSI { 749} (( segid " " and resid 19 and name HG11)) (( segid " " and resid 19 and name HN )) 2.800 1.000 1.000 peak 749 spectrum 1 weight 0.10000E+01 volume 0.98929E-03 ppm1 1.463 ppm2 8.053 CV 1 ASSI { 750} (( segid " " and resid 19 and name HG12)) (( segid " " and resid 19 and name HN )) 3.400 1.400 1.400 peak 750 spectrum 1 weight 0.10000E+01 volume 0.38476E-03 ppm1 1.014 ppm2 8.047 CV 1 ASSI { 757} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 21 and name HN )) 3.800 1.800 1.800 peak 757 spectrum 1 weight 0.10000E+01 volume 0.16562E-02 ppm1 0.699 ppm2 7.537 CV 1 ASSI { 758} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HN )) 3.500 1.500 1.500 peak 758 spectrum 1 weight 0.10000E+01 volume 0.17525E-02 ppm1 0.698 ppm2 8.048 CV 1 ASSI { 759} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 20 and name HN )) 3.100 1.200 1.200 peak 759 spectrum 1 weight 0.10000E+01 volume 0.15167E-02 ppm1 0.699 ppm2 8.549 CV 1 ASSI { 760} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 18 and name HA1 )) 2.200 2.200 3.800 peak 760 spectrum 1 weight 0.10000E+01 volume 0.29060E-02 ppm1 0.699 ppm2 3.983 CV 1 ASSI { 761} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HA )) 2.300 0.700 0.700 peak 761 spectrum 1 weight 0.10000E+01 volume 0.50048E-02 ppm1 0.699 ppm2 3.897 CV 1 ASSI { 762} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 21 and name HA )) 4.300 2.300 1.700 peak 762 spectrum 1 weight 0.10000E+01 volume 0.10625E-02 ppm1 0.693 ppm2 4.735 CV 1 ASSI { 763} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 20 and name HA )) 4.400 2.500 1.600 peak 763 spectrum 1 weight 0.10000E+01 volume 0.64988E-03 ppm1 0.699 ppm2 4.190 CV 1 ASSI { 764} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 25 and name HB )) 4.100 2.100 1.900 peak 764 spectrum 1 weight 0.10000E+01 volume 0.93770E-03 ppm1 0.699 ppm2 1.884 CV 1 ASSI { 765} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 25 and name HG11)) 2.300 0.700 0.700 peak 765 spectrum 1 weight 0.10000E+01 volume 0.28474E-02 ppm1 0.699 ppm2 1.322 CV 1 ASSI { 767} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HB )) 2.000 0.500 0.500 peak 767 spectrum 1 weight 0.10000E+01 volume 0.85920E-02 ppm1 0.699 ppm2 1.575 CV 1 ASSI { 768} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 19 and name HG12)) 2.300 0.700 0.700 peak 768 spectrum 1 weight 0.10000E+01 volume 0.43680E-02 ppm1 0.699 ppm2 1.015 CV 1 ASSI { 772} (( segid " " and resid 19 and name HA )) (( segid " " and resid 21 and name HN )) 5.000 3.100 1.000 peak 772 spectrum 1 weight 0.10000E+01 volume 0.34346E-03 ppm1 3.896 ppm2 7.537 CV 1 ASSI { 773} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 41 and name HN )) 2.400 0.700 0.700 peak 773 spectrum 1 weight 0.10000E+01 volume 0.32375E-02 ppm1 3.781 ppm2 8.361 CV 1 ASSI { 774} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 41 and name HN )) 2.800 1.000 1.000 peak 774 spectrum 1 weight 0.10000E+01 volume 0.28300E-02 ppm1 3.493 ppm2 8.361 CV 1 ASSI { 775} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 42 and name HN )) 3.300 1.300 1.300 peak 775 spectrum 1 weight 0.10000E+01 volume 0.10315E-02 ppm1 3.783 ppm2 7.379 CV 1 ASSI { 776} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 42 and name HN )) 3.500 1.600 1.600 peak 776 spectrum 1 weight 0.10000E+01 volume 0.10781E-02 ppm1 3.492 ppm2 7.381 CV 1 ASSI { 777} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 44 and name HB )) 4.500 2.500 1.500 peak 777 spectrum 1 weight 0.10000E+01 volume 0.57705E-03 ppm1 3.780 ppm2 1.977 CV 1 ASSI { 778} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 44 and name HB )) 3.000 1.100 1.100 peak 778 spectrum 1 weight 0.10000E+01 volume 0.98386E-03 ppm1 3.494 ppm2 1.979 CV 1 ASSI { 781} (( segid " " and resid 41 and name HA2 )) ( segid " " and resid 44 and name HG1%) 3.500 1.500 1.500 peak 781 spectrum 1 weight 0.10000E+01 volume 0.18757E-02 ppm1 3.491 ppm2 0.730 CV 1 ASSI { 782} (( segid " " and resid 41 and name HA1 )) ( segid " " and resid 44 and name HG1%) 4.500 2.500 1.500 peak 782 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 3.782 ppm2 0.731 CV 1 ASSI { 783} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 36 and name HG )) 5.500 3.700 0.500 peak 783 spectrum 1 weight 0.10000E+01 volume 0.44592E-03 ppm1 3.495 ppm2 1.741 CV 1 ASSI { 784} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 40 and name HA )) 5.400 3.700 0.600 peak 784 spectrum 1 weight 0.10000E+01 volume 0.13778E-03 ppm1 3.785 ppm2 4.081 CV 1 ASSI { 793} (( segid " " and resid 41 and name HA2 )) (( segid " " and resid 40 and name HA )) 4.100 2.100 1.900 peak 793 spectrum 1 weight 0.10000E+01 volume 0.32621E-03 ppm1 3.501 ppm2 4.080 CV 1 ASSI { 797} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HB1 )) 3.100 1.200 1.200 peak 797 spectrum 1 weight 0.10000E+01 volume 0.15810E-02 ppm1 3.148 ppm2 2.101 CV 1 OR { 797} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HB1 )) ASSI { 798} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG1 )) 2.700 0.900 0.900 peak 798 spectrum 1 weight 0.10000E+01 volume 0.23567E-02 ppm1 3.148 ppm2 1.953 CV 1 OR { 798} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HG1 )) ASSI { 800} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HG2 )) 2.800 0.900 0.900 peak 800 spectrum 1 weight 0.10000E+01 volume 0.17106E-02 ppm1 3.147 ppm2 1.663 CV 1 OR { 800} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HG2 )) ASSI { 804} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 58 and name HA )) 3.900 1.900 1.900 peak 804 spectrum 1 weight 0.10000E+01 volume 0.60578E-03 ppm1 3.148 ppm2 3.690 CV 1 OR { 804} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 58 and name HA )) OR { 804} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 58 and name HA )) OR { 804} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 58 and name HA )) ASSI { 807} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HE )) 3.300 1.400 1.400 peak 807 spectrum 1 weight 0.10000E+01 volume 0.66454E-03 ppm1 3.148 ppm2 7.367 CV 1 OR { 807} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HE )) ASSI { 809} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HN )) 5.700 4.100 0.300 peak 809 spectrum 1 weight 0.10000E+01 volume 0.15964E-03 ppm1 3.146 ppm2 8.410 CV 1 OR { 809} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HN )) ASSI { 812} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HA )) 4.600 2.600 1.400 peak 812 spectrum 1 weight 0.10000E+01 volume 0.45995E-03 ppm1 3.146 ppm2 3.823 CV 1 OR { 812} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HA )) ASSI { 815} (( segid " " and resid 45 and name HD1 )) (( segid " " and resid 45 and name HB2 )) 3.400 1.400 1.400 peak 815 spectrum 1 weight 0.10000E+01 volume 0.12491E-02 ppm1 3.148 ppm2 1.857 CV 1 OR { 815} (( segid " " and resid 45 and name HD2 )) (( segid " " and resid 45 and name HB2 )) ASSI { 816} (( segid " " and resid 45 and name HD2 )) ( segid " " and resid 61 and name HG1%) 3.600 3.600 2.400 peak 816 spectrum 1 weight 0.10000E+01 volume 0.11384E-02 ppm1 3.144 ppm2 0.783 CV 1 OR { 816} (( segid " " and resid 45 and name HD1 )) ( segid " " and resid 61 and name HG1%) ASSI { 819} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG2 )) 2.800 0.900 0.900 peak 819 spectrum 1 weight 0.10000E+01 volume 0.21760E-02 ppm1 4.241 ppm2 2.388 CV 1 ASSI { 820} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HB1 )) 2.500 0.800 0.800 peak 820 spectrum 1 weight 0.10000E+01 volume 0.33161E-02 ppm1 4.241 ppm2 2.295 CV 1 ASSI { 822} (( segid " " and resid 46 and name HA )) (( segid " " and resid 50 and name HN )) 3.500 1.600 1.600 peak 822 spectrum 1 weight 0.10000E+01 volume 0.66472E-03 ppm1 4.241 ppm2 8.485 CV 1 ASSI { 823} (( segid " " and resid 46 and name HA )) (( segid " " and resid 45 and name HN )) 4.800 2.900 1.200 peak 823 spectrum 1 weight 0.10000E+01 volume 0.35237E-03 ppm1 4.239 ppm2 8.413 CV 1 ASSI { 824} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HN )) 2.400 0.700 0.700 peak 824 spectrum 1 weight 0.10000E+01 volume 0.33296E-02 ppm1 2.125 ppm2 8.104 CV 1 ASSI { 825} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 47 and name HN )) 2.900 1.000 1.000 peak 825 spectrum 1 weight 0.10000E+01 volume 0.18961E-02 ppm1 2.126 ppm2 7.945 CV 1 ASSI { 826} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HN )) 3.300 1.400 1.400 peak 826 spectrum 1 weight 0.10000E+01 volume 0.34871E-02 ppm1 2.296 ppm2 8.104 CV 1 ASSI { 828} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 47 and name HN )) 3.500 1.600 1.600 peak 828 spectrum 1 weight 0.10000E+01 volume 0.13051E-02 ppm1 2.294 ppm2 7.947 CV 1 ASSI { 829} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HN )) 2.800 1.000 1.000 peak 829 spectrum 1 weight 0.10000E+01 volume 0.20471E-02 ppm1 4.242 ppm2 8.106 CV 1 ASSI { 830} (( segid " " and resid 46 and name HA )) (( segid " " and resid 47 and name HN )) 2.900 1.100 1.100 peak 830 spectrum 1 weight 0.10000E+01 volume 0.13429E-02 ppm1 4.241 ppm2 7.942 CV 1 ASSI { 832} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 43 and name HA )) 4.000 2.000 2.000 peak 832 spectrum 1 weight 0.10000E+01 volume 0.14860E-02 ppm1 2.294 ppm2 4.090 CV 1 ASSI { 833} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HA )) 3.100 1.200 1.200 peak 833 spectrum 1 weight 0.10000E+01 volume 0.20547E-02 ppm1 2.125 ppm2 4.243 CV 1 ASSI { 835} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 43 and name HA )) 3.100 1.200 1.200 peak 835 spectrum 1 weight 0.10000E+01 volume 0.72969E-03 ppm1 2.124 ppm2 4.089 CV 1 ASSI { 836} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG1 )) 2.800 1.000 1.000 peak 836 spectrum 1 weight 0.10000E+01 volume 0.30360E-02 ppm1 2.297 ppm2 2.575 CV 1 ASSI { 837} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG1 )) 2.500 0.800 0.800 peak 837 spectrum 1 weight 0.10000E+01 volume 0.26886E-02 ppm1 2.124 ppm2 2.575 CV 1 ASSI { 838} (( segid " " and resid 46 and name HB1 )) (( segid " " and resid 46 and name HG2 )) 2.400 0.700 0.700 peak 838 spectrum 1 weight 0.10000E+01 volume 0.57813E-02 ppm1 2.296 ppm2 2.391 CV 1 ASSI { 839} (( segid " " and resid 46 and name HB2 )) (( segid " " and resid 46 and name HG2 )) 2.600 0.800 0.800 peak 839 spectrum 1 weight 0.10000E+01 volume 0.50681E-02 ppm1 2.125 ppm2 2.390 CV 1 ASSI { 845} (( segid " " and resid 46 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.900 1.900 1.900 peak 845 spectrum 1 weight 0.10000E+01 volume 0.75644E-03 ppm1 4.239 ppm2 2.576 CV 1 ASSI { 877} (( segid " " and resid 46 and name HG2 )) ( segid " " and resid 42 and name HG1%) 4.100 2.100 1.900 peak 877 spectrum 1 weight 0.10000E+01 volume 0.39805E-03 ppm1 2.391 ppm2 0.944 CV 1 ASSI { 880} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HE22)) 4.400 2.500 1.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.47297E-03 ppm1 2.575 ppm2 7.338 CV 1 ASSI { 881} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HE22)) 4.500 2.600 1.500 peak 881 spectrum 1 weight 0.10000E+01 volume 0.44949E-03 ppm1 2.391 ppm2 7.338 CV 1 ASSI { 883} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 47 and name HN )) 4.900 3.000 1.100 peak 883 spectrum 1 weight 0.10000E+01 volume 0.26604E-03 ppm1 2.388 ppm2 7.944 CV 1 ASSI { 885} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HN )) 3.700 1.700 1.700 peak 885 spectrum 1 weight 0.10000E+01 volume 0.58410E-03 ppm1 2.388 ppm2 8.106 CV 1 ASSI { 886} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HN )) 3.300 1.300 1.300 peak 886 spectrum 1 weight 0.10000E+01 volume 0.10014E-02 ppm1 2.576 ppm2 8.105 CV 1 ASSI { 887} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 47 and name HN )) 5.100 3.200 0.900 peak 887 spectrum 1 weight 0.10000E+01 volume 0.25448E-03 ppm1 2.577 ppm2 7.945 CV 1 ASSI { 890} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG12)) 2.500 0.800 0.800 peak 890 spectrum 1 weight 0.10000E+01 volume 0.26768E-02 ppm1 3.787 ppm2 1.111 CV 1 ASSI { 891} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HB1 )) 3.000 1.100 1.100 peak 891 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 3.789 ppm2 1.969 CV 1 ASSI { 892} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HB )) 2.600 0.800 0.800 peak 892 spectrum 1 weight 0.10000E+01 volume 0.37030E-02 ppm1 3.788 ppm2 1.888 CV 1 ASSI { 893} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HG11)) 2.800 0.900 0.900 peak 893 spectrum 1 weight 0.10000E+01 volume 0.28970E-02 ppm1 3.788 ppm2 1.810 CV 1 ASSI { 894} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HG2 )) 3.000 1.100 1.100 peak 894 spectrum 1 weight 0.10000E+01 volume 0.12688E-02 ppm1 3.791 ppm2 2.233 CV 1 OR { 894} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HG1 )) ASSI { 895} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HG2%) 2.400 0.700 0.700 peak 895 spectrum 1 weight 0.10000E+01 volume 0.53914E-02 ppm1 3.789 ppm2 0.876 CV 1 ASSI { 896} (( segid " " and resid 47 and name HA )) ( segid " " and resid 47 and name HD1%) 4.100 2.100 1.900 peak 896 spectrum 1 weight 0.10000E+01 volume 0.15839E-02 ppm1 3.788 ppm2 0.787 CV 1 ASSI { 897} (( segid " " and resid 47 and name HA )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 897 spectrum 1 weight 0.10000E+01 volume 0.34796E-02 ppm1 3.788 ppm2 7.946 CV 1 ASSI { 898} (( segid " " and resid 47 and name HA )) (( segid " " and resid 48 and name HN )) 3.400 1.400 1.400 peak 898 spectrum 1 weight 0.10000E+01 volume 0.10092E-02 ppm1 3.788 ppm2 8.134 CV 1 ASSI { 899} (( segid " " and resid 47 and name HA )) (( segid " " and resid 51 and name HN )) 3.600 1.600 1.600 peak 899 spectrum 1 weight 0.10000E+01 volume 0.85578E-03 ppm1 3.787 ppm2 8.556 CV 1 ASSI { 900} (( segid " " and resid 47 and name HA )) (( segid " " and resid 50 and name HN )) 3.500 1.500 1.500 peak 900 spectrum 1 weight 0.10000E+01 volume 0.79963E-03 ppm1 3.789 ppm2 8.479 CV 1 ASSI { 901} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HN )) 2.200 0.600 0.600 peak 901 spectrum 1 weight 0.10000E+01 volume 0.52657E-02 ppm1 1.890 ppm2 7.947 CV 1 ASSI { 902} (( segid " " and resid 47 and name HB )) (( segid " " and resid 48 and name HN )) 2.600 0.900 0.900 peak 902 spectrum 1 weight 0.10000E+01 volume 0.24292E-02 ppm1 1.889 ppm2 8.134 CV 1 ASSI { 903} (( segid " " and resid 47 and name HB )) (( segid " " and resid 50 and name HN )) 4.900 2.900 1.100 peak 903 spectrum 1 weight 0.10000E+01 volume 0.27007E-03 ppm1 1.888 ppm2 8.454 CV 1 ASSI { 904} (( segid " " and resid 47 and name HB )) (( segid " " and resid 44 and name HA )) 2.700 0.900 0.900 peak 904 spectrum 1 weight 0.10000E+01 volume 0.18827E-02 ppm1 1.889 ppm2 3.455 CV 1 ASSI { 907} (( segid " " and resid 47 and name HB )) (( segid " " and resid 47 and name HG12)) 3.400 1.400 1.400 peak 907 spectrum 1 weight 0.10000E+01 volume 0.10757E-02 ppm1 1.890 ppm2 1.111 CV 1 ASSI { 908} (( segid " " and resid 47 and name HB )) ( segid " " and resid 47 and name HG2%) 2.300 0.600 0.600 peak 908 spectrum 1 weight 0.10000E+01 volume 0.51301E-02 ppm1 1.889 ppm2 0.875 CV 1 ASSI { 914} (( segid " " and resid 47 and name HG11)) ( segid " " and resid 48 and name HD1%) 5.000 3.100 1.000 peak 914 spectrum 1 weight 0.10000E+01 volume 0.48917E-03 ppm1 1.811 ppm2 0.699 CV 1 ASSI { 918} (( segid " " and resid 47 and name HG12)) ( segid " " and resid 48 and name HD1%) 5.200 3.400 0.800 peak 918 spectrum 1 weight 0.10000E+01 volume 0.38224E-03 ppm1 1.105 ppm2 0.701 CV 1 ASSI { 923} (( segid " " and resid 47 and name HG11)) (( segid " " and resid 44 and name HA )) 3.500 1.600 1.600 peak 923 spectrum 1 weight 0.10000E+01 volume 0.69964E-03 ppm1 1.812 ppm2 3.454 CV 1 ASSI { 924} (( segid " " and resid 47 and name HG12)) (( segid " " and resid 44 and name HA )) 4.900 3.000 1.100 peak 924 spectrum 1 weight 0.10000E+01 volume 0.56121E-03 ppm1 1.106 ppm2 3.456 CV 1 ASSI { 927} (( segid " " and resid 47 and name HG11)) (( segid " " and resid 48 and name HN )) 4.400 2.400 1.600 peak 927 spectrum 1 weight 0.10000E+01 volume 0.56196E-03 ppm1 1.812 ppm2 8.130 CV 1 ASSI { 928} (( segid " " and resid 47 and name HG11)) (( segid " " and resid 47 and name HN )) 2.300 0.700 0.700 peak 928 spectrum 1 weight 0.10000E+01 volume 0.34673E-02 ppm1 1.813 ppm2 7.945 CV 1 ASSI { 929} (( segid " " and resid 47 and name HG12)) (( segid " " and resid 48 and name HN )) 5.400 3.600 0.600 peak 929 spectrum 1 weight 0.10000E+01 volume 0.31125E-03 ppm1 1.110 ppm2 8.134 CV 1 ASSI { 930} (( segid " " and resid 47 and name HG12)) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 930 spectrum 1 weight 0.10000E+01 volume 0.18049E-02 ppm1 1.107 ppm2 7.944 CV 1 ASSI { 931} (( segid " " and resid 47 and name HA )) ( segid " " and resid 48 and name HD1%) 4.700 2.800 1.300 peak 931 spectrum 1 weight 0.10000E+01 volume 0.38428E-03 ppm1 3.789 ppm2 0.697 CV 1 ASSI { 933} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 16 and name HN )) 3.700 1.800 1.800 peak 933 spectrum 1 weight 0.10000E+01 volume 0.62609E-03 ppm1 0.772 ppm2 7.602 CV 1 ASSI { 943} (( segid " " and resid 19 and name HG12)) (( segid " " and resid 17 and name HB1 )) 3.600 1.600 1.600 peak 943 spectrum 1 weight 0.10000E+01 volume 0.79810E-03 ppm1 1.008 ppm2 1.815 CV 1 ASSI { 946} (( segid " " and resid 20 and name HB2 )) (( segid " " and resid 20 and name HG2 )) 2.800 1.000 1.000 peak 946 spectrum 1 weight 0.10000E+01 volume 0.41217E-02 ppm1 1.707 ppm2 1.541 CV 1 ASSI { 948} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HG2 )) 2.400 0.700 0.700 peak 948 spectrum 1 weight 0.10000E+01 volume 0.47033E-02 ppm1 3.135 ppm2 1.539 CV 1 OR { 948} (( segid " " and resid 20 and name HD1 )) (( segid " " and resid 20 and name HG2 )) ASSI { 967} ( segid " " and resid 22 and name HD2%) ( segid " " and resid 14 and name HB% ) 2.700 0.900 0.900 peak 967 spectrum 1 weight 0.10000E+01 volume 0.21880E-02 ppm1 0.748 ppm2 1.425 CV 1 ASSI { 970} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HG12)) 5.000 3.200 1.000 peak 970 spectrum 1 weight 0.10000E+01 volume 0.34703E-03 ppm1 0.747 ppm2 1.265 CV 1 ASSI { 971} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 20 and name HB2 )) 3.200 1.300 1.300 peak 971 spectrum 1 weight 0.10000E+01 volume 0.26236E-03 ppm1 0.747 ppm2 1.723 CV 1 ASSI { 972} (( segid " " and resid 23 and name HA )) (( segid " " and resid 25 and name HN )) 4.200 2.200 1.800 peak 972 spectrum 1 weight 0.10000E+01 volume 0.74658E-03 ppm1 4.063 ppm2 7.343 CV 1 ASSI { 973} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 23 and name HA )) 2.300 0.600 0.600 peak 973 spectrum 1 weight 0.10000E+01 volume 0.97321E-02 ppm1 1.338 ppm2 4.066 CV 1 ASSI { 974} ( segid " " and resid 23 and name HB% ) (( segid " " and resid 25 and name HN )) 4.700 2.700 1.300 peak 974 spectrum 1 weight 0.10000E+01 volume 0.71841E-03 ppm1 1.337 ppm2 7.342 CV 1 ASSI { 975} (( segid " " and resid 23 and name HA )) (( segid " " and resid 21 and name HA )) 2.900 2.900 3.100 peak 975 spectrum 1 weight 0.10000E+01 volume 0.44652E-03 ppm1 4.062 ppm2 4.728 CV 1 ASSI { 976} (( segid " " and resid 24 and name HA1 )) (( segid " " and resid 25 and name HN )) 3.900 1.900 1.900 peak 976 spectrum 1 weight 0.10000E+01 volume 0.11584E-02 ppm1 3.907 ppm2 7.344 CV 1 ASSI { 977} (( segid " " and resid 24 and name HA2 )) (( segid " " and resid 25 and name HN )) 3.100 1.200 1.200 peak 977 spectrum 1 weight 0.10000E+01 volume 0.11922E-02 ppm1 3.840 ppm2 7.343 CV 1 ASSI { 978} (( segid " " and resid 24 and name HA1 )) (( segid " " and resid 24 and name HN )) 2.900 1.100 1.100 peak 978 spectrum 1 weight 0.10000E+01 volume 0.21617E-02 ppm1 3.908 ppm2 8.249 CV 1 ASSI { 979} (( segid " " and resid 24 and name HA2 )) (( segid " " and resid 24 and name HN )) 2.900 1.100 1.100 peak 979 spectrum 1 weight 0.10000E+01 volume 0.19716E-02 ppm1 3.839 ppm2 8.247 CV 1 ASSI { 983} (( segid " " and resid 24 and name HA2 )) (( segid " " and resid 24 and name HA1 )) 1.900 0.400 0.400 peak 983 spectrum 1 weight 0.10000E+01 volume 0.94288E-02 ppm1 3.835 ppm2 3.911 CV 1 ASSI { 985} (( segid " " and resid 24 and name HA1 )) ( segid " " and resid 23 and name HB% ) 3.500 1.500 1.500 peak 985 spectrum 1 weight 0.10000E+01 volume 0.76427E-03 ppm1 3.907 ppm2 1.339 CV 1 ASSI { 986} (( segid " " and resid 24 and name HA2 )) ( segid " " and resid 23 and name HB% ) 2.800 2.800 3.200 peak 986 spectrum 1 weight 0.10000E+01 volume 0.56763E-03 ppm1 3.840 ppm2 1.339 CV 1 ASSI { 993} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HG )) 3.400 1.400 1.400 peak 993 spectrum 1 weight 0.10000E+01 volume 0.10514E-02 ppm1 4.038 ppm2 1.775 CV 1 ASSI { 995} (( segid " " and resid 27 and name HA )) (( segid " " and resid 27 and name HB2 )) 3.100 1.200 1.200 peak 995 spectrum 1 weight 0.10000E+01 volume 0.20280E-02 ppm1 4.039 ppm2 1.305 CV 1 ASSI { 997} (( segid " " and resid 27 and name HA )) (( segid " " and resid 66 and name HB1 )) 3.200 1.300 1.300 peak 997 spectrum 1 weight 0.10000E+01 volume 0.11020E-02 ppm1 4.036 ppm2 1.953 CV 1 ASSI { 1001} (( segid " " and resid 27 and name HA )) (( segid " " and resid 28 and name HN )) 3.600 1.600 1.600 peak 1001 spectrum 1 weight 0.10000E+01 volume 0.49352E-03 ppm1 4.038 ppm2 8.350 CV 1 ASSI { 1002} (( segid " " and resid 27 and name HA )) (( segid " " and resid 66 and name HN )) 4.200 2.200 1.800 peak 1002 spectrum 1 weight 0.10000E+01 volume 0.36526E-03 ppm1 4.041 ppm2 8.814 CV 1 ASSI { 1003} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HA )) 3.100 1.200 1.200 peak 1003 spectrum 1 weight 0.10000E+01 volume 0.78710E-03 ppm1 1.667 ppm2 4.038 CV 1 ASSI { 1010} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 28 and name HN )) 4.300 2.300 1.700 peak 1010 spectrum 1 weight 0.10000E+01 volume 0.27802E-03 ppm1 1.304 ppm2 8.341 CV 1 ASSI { 1011} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 28 and name HN )) 5.000 3.100 1.000 peak 1011 spectrum 1 weight 0.10000E+01 volume 0.22318E-03 ppm1 1.670 ppm2 8.349 CV 1 ASSI { 1013} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HN )) 3.600 1.600 1.600 peak 1013 spectrum 1 weight 0.10000E+01 volume 0.17307E-02 ppm1 0.768 ppm2 7.602 CV 1 ASSI { 1014} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 17 and name HN )) 3.200 3.200 2.800 peak 1014 spectrum 1 weight 0.10000E+01 volume 0.28846E-03 ppm1 0.768 ppm2 7.699 CV 1 ASSI { 1016} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HA )) 2.300 0.700 0.700 peak 1016 spectrum 1 weight 0.10000E+01 volume 0.58656E-02 ppm1 0.768 ppm2 3.562 CV 1 ASSI { 1017} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 43 and name HG1 )) 3.100 1.200 1.200 peak 1017 spectrum 1 weight 0.10000E+01 volume 0.13638E-02 ppm1 0.774 ppm2 2.389 CV 1 ASSI { 1018} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 43 and name HG2 )) 2.600 0.900 0.900 peak 1018 spectrum 1 weight 0.10000E+01 volume 0.26665E-02 ppm1 0.776 ppm2 2.240 CV 1 ASSI { 1020} ( segid " " and resid 16 and name HD1%) (( segid " " and resid 16 and name HB )) 3.100 1.200 1.200 peak 1020 spectrum 1 weight 0.10000E+01 volume 0.53299E-02 ppm1 0.768 ppm2 2.001 CV 1 ASSI { 1025} ( segid " " and resid 16 and name HD1%) ( segid " " and resid 16 and name HG2%) 2.000 0.500 0.500 peak 1025 spectrum 1 weight 0.10000E+01 volume 0.17302E-01 ppm1 0.778 ppm2 0.894 CV 1 ASSI { 1028} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 25 and name HG11)) 3.000 1.200 1.200 peak 1028 spectrum 1 weight 0.10000E+01 volume 0.15431E-02 ppm1 0.839 ppm2 1.318 CV 1 ASSI { 1029} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HG12)) 1.900 0.500 0.500 peak 1029 spectrum 1 weight 0.10000E+01 volume 0.10183E-01 ppm1 0.839 ppm2 1.013 CV 1 ASSI { 1030} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 17 and name HA )) 2.600 2.600 3.400 peak 1030 spectrum 1 weight 0.10000E+01 volume 0.97579E-03 ppm1 0.840 ppm2 4.307 CV 1 ASSI { 1033} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 17 and name HB1 )) 3.400 1.500 1.500 peak 1033 spectrum 1 weight 0.10000E+01 volume 0.14055E-02 ppm1 0.841 ppm2 1.824 CV 1 ASSI { 1034} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 18 and name HA1 )) 3.200 3.200 2.800 peak 1034 spectrum 1 weight 0.10000E+01 volume 0.26941E-03 ppm1 0.839 ppm2 3.993 CV 1 ASSI { 1035} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 14 and name HA )) 3.000 1.200 1.200 peak 1035 spectrum 1 weight 0.10000E+01 volume 0.20029E-02 ppm1 0.839 ppm2 3.854 CV 1 ASSI { 1036} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 19 and name HN )) 4.200 2.200 1.800 peak 1036 spectrum 1 weight 0.10000E+01 volume 0.11412E-02 ppm1 0.842 ppm2 8.045 CV 1 ASSI { 1037} ( segid " " and resid 19 and name HD1%) (( segid " " and resid 18 and name HN )) 3.000 3.000 3.000 peak 1037 spectrum 1 weight 0.10000E+01 volume 0.38527E-03 ppm1 0.841 ppm2 7.718 CV 1 ASSI { 1039} (( segid " " and resid 25 and name HA )) (( segid " " and resid 26 and name HN )) 2.100 0.600 0.600 peak 1039 spectrum 1 weight 0.10000E+01 volume 0.73089E-02 ppm1 4.074 ppm2 8.458 CV 1 ASSI { 1040} (( segid " " and resid 25 and name HA )) (( segid " " and resid 25 and name HN )) 2.600 0.900 0.900 peak 1040 spectrum 1 weight 0.10000E+01 volume 0.25081E-02 ppm1 4.074 ppm2 7.352 CV 1 ASSI { 1041} (( segid " " and resid 25 and name HB )) ( segid " " and resid 25 and name HG2%) 2.100 0.600 0.600 peak 1041 spectrum 1 weight 0.10000E+01 volume 0.61709E-02 ppm1 1.886 ppm2 0.766 CV 1 ASSI { 1042} (( segid " " and resid 25 and name HB )) ( segid " " and resid 22 and name HD1%) 2.400 0.700 0.700 peak 1042 spectrum 1 weight 0.10000E+01 volume 0.15203E-02 ppm1 1.885 ppm2 0.666 CV 1 ASSI { 1047} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 22 and name HA )) 5.000 3.100 1.000 peak 1047 spectrum 1 weight 0.10000E+01 volume 0.38866E-03 ppm1 0.763 ppm2 3.988 CV 1 ASSI { 1048} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 25 and name HN )) 4.000 2.000 2.000 peak 1048 spectrum 1 weight 0.10000E+01 volume 0.11237E-02 ppm1 0.763 ppm2 7.344 CV 1 ASSI { 1049} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 26 and name HN )) 2.900 1.100 1.100 peak 1049 spectrum 1 weight 0.10000E+01 volume 0.15890E-02 ppm1 0.763 ppm2 8.459 CV 1 ASSI { 1051} (( segid " " and resid 25 and name HB )) (( segid " " and resid 26 and name HN )) 3.700 1.700 1.700 peak 1051 spectrum 1 weight 0.10000E+01 volume 0.92696E-03 ppm1 1.884 ppm2 8.451 CV 1 ASSI { 1054} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HN )) 2.300 0.600 0.600 peak 1054 spectrum 1 weight 0.10000E+01 volume 0.41424E-02 ppm1 1.884 ppm2 7.341 CV 1 ASSI { 1055} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HA )) 2.700 0.900 0.900 peak 1055 spectrum 1 weight 0.10000E+01 volume 0.23428E-02 ppm1 1.886 ppm2 4.072 CV 1 ASSI { 1056} (( segid " " and resid 25 and name HB )) (( segid " " and resid 22 and name HA )) 2.900 1.000 1.000 peak 1056 spectrum 1 weight 0.10000E+01 volume 0.17962E-02 ppm1 1.885 ppm2 3.982 CV 1 ASSI { 1059} (( segid " " and resid 25 and name HB )) ( segid " " and resid 27 and name HD2%) 3.500 1.500 1.500 peak 1059 spectrum 1 weight 0.10000E+01 volume 0.86655E-03 ppm1 1.887 ppm2 0.870 CV 1 ASSI { 1060} (( segid " " and resid 25 and name HA )) ( segid " " and resid 25 and name HG2%) 2.500 0.800 0.800 peak 1060 spectrum 1 weight 0.10000E+01 volume 0.43230E-02 ppm1 4.074 ppm2 0.765 CV 1 ASSI { 1061} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 26 and name HB1 )) 5.100 3.200 0.900 peak 1061 spectrum 1 weight 0.10000E+01 volume 0.25406E-03 ppm1 0.760 ppm2 3.148 CV 1 ASSI { 1063} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HG11)) 2.400 0.700 0.700 peak 1063 spectrum 1 weight 0.10000E+01 volume 0.29558E-02 ppm1 1.884 ppm2 1.330 CV 1 ASSI { 1064} (( segid " " and resid 25 and name HB )) (( segid " " and resid 25 and name HG12)) 2.600 0.800 0.800 peak 1064 spectrum 1 weight 0.10000E+01 volume 0.16465E-02 ppm1 1.884 ppm2 1.289 CV 1 ASSI { 1065} ( segid " " and resid 25 and name HG2%) (( segid " " and resid 27 and name HG )) 4.100 2.100 1.900 peak 1065 spectrum 1 weight 0.10000E+01 volume 0.31877E-03 ppm1 0.760 ppm2 1.784 CV 1 ASSI { 1066} ( segid " " and resid 25 and name HG2%) ( segid " " and resid 22 and name HD1%) 2.900 1.100 1.100 peak 1066 spectrum 1 weight 0.10000E+01 volume 0.25015E-02 ppm1 0.761 ppm2 0.657 CV 1 ASSI { 1068} (( segid " " and resid 25 and name HB )) (( segid " " and resid 22 and name HB2 )) 3.900 1.900 1.900 peak 1068 spectrum 1 weight 0.10000E+01 volume 0.52297E-03 ppm1 1.887 ppm2 1.552 CV 1 OR { 1068} (( segid " " and resid 25 and name HB )) (( segid " " and resid 22 and name HB1 )) ASSI { 1069} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 26 and name HN )) 4.300 2.400 1.700 peak 1069 spectrum 1 weight 0.10000E+01 volume 0.11103E-02 ppm1 0.767 ppm2 8.456 CV 1 ASSI { 1070} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HN )) 3.800 1.800 1.800 peak 1070 spectrum 1 weight 0.10000E+01 volume 0.86016E-03 ppm1 0.764 ppm2 7.347 CV 1 ASSI { 1071} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HA )) 3.400 1.400 1.400 peak 1071 spectrum 1 weight 0.10000E+01 volume 0.19112E-02 ppm1 0.766 ppm2 3.983 CV 1 ASSI { 1072} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 19 and name HA )) 2.800 2.800 3.200 peak 1072 spectrum 1 weight 0.10000E+01 volume 0.56976E-03 ppm1 0.767 ppm2 3.893 CV 1 ASSI { 1073} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HA )) 2.500 0.800 0.800 peak 1073 spectrum 1 weight 0.10000E+01 volume 0.36565E-02 ppm1 0.765 ppm2 4.075 CV 1 ASSI { 1075} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HG12)) 2.500 0.800 0.800 peak 1075 spectrum 1 weight 0.10000E+01 volume 0.30249E-02 ppm1 0.766 ppm2 1.293 CV 1 ASSI { 1076} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HG11)) 2.700 0.900 0.900 peak 1076 spectrum 1 weight 0.10000E+01 volume 0.17781E-02 ppm1 0.766 ppm2 1.332 CV 1 ASSI { 1077} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 14 and name HB% ) 3.000 3.000 3.000 peak 1077 spectrum 1 weight 0.10000E+01 volume 0.40093E-03 ppm1 0.766 ppm2 1.427 CV 1 ASSI { 1078} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 22 and name HB1 )) 4.200 2.200 1.800 peak 1078 spectrum 1 weight 0.10000E+01 volume 0.76925E-03 ppm1 0.767 ppm2 1.557 CV 1 ASSI { 1079} ( segid " " and resid 25 and name HD1%) (( segid " " and resid 25 and name HB )) 3.400 1.400 1.400 peak 1079 spectrum 1 weight 0.10000E+01 volume 0.18120E-02 ppm1 0.764 ppm2 1.883 CV 1 ASSI { 1081} ( segid " " and resid 25 and name HD1%) ( segid " " and resid 22 and name HD1%) 3.300 1.300 1.300 peak 1081 spectrum 1 weight 0.10000E+01 volume 0.43119E-02 ppm1 0.766 ppm2 0.661 CV 1 ASSI { 1088} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HA )) 3.100 1.200 1.200 peak 1088 spectrum 1 weight 0.10000E+01 volume 0.23244E-02 ppm1 2.657 ppm2 4.639 CV 1 ASSI { 1089} (( segid " " and resid 79 and name HB1 )) (( segid " " and resid 79 and name HN )) 4.600 2.600 1.400 peak 1089 spectrum 1 weight 0.10000E+01 volume 0.34070E-03 ppm1 2.712 ppm2 8.506 CV 1 ASSI { 1090} (( segid " " and resid 79 and name HB2 )) (( segid " " and resid 79 and name HN )) 3.900 1.900 1.900 peak 1090 spectrum 1 weight 0.10000E+01 volume 0.35396E-03 ppm1 2.656 ppm2 8.507 CV 1 ASSI { 1093} (( segid " " and resid 79 and name HA )) (( segid " " and resid 79 and name HB1 )) 2.700 0.900 0.900 peak 1093 spectrum 1 weight 0.10000E+01 volume 0.26424E-02 ppm1 4.636 ppm2 2.714 CV 1 ASSI { 1094} (( segid " " and resid 78 and name HB2 )) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 1094 spectrum 1 weight 0.10000E+01 volume 0.22877E-02 ppm1 3.845 ppm2 4.474 CV 1 ASSI { 1095} (( segid " " and resid 78 and name HB1 )) (( segid " " and resid 78 and name HA )) 3.000 1.100 1.100 peak 1095 spectrum 1 weight 0.10000E+01 volume 0.15969E-02 ppm1 3.897 ppm2 4.471 CV 1 ASSI { 1100} (( segid " " and resid 78 and name HA )) (( segid " " and resid 79 and name HN )) 3.000 1.100 1.100 peak 1100 spectrum 1 weight 0.10000E+01 volume 0.20016E-02 ppm1 4.475 ppm2 8.507 CV 1 ASSI { 1119} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 1119 spectrum 1 weight 0.10000E+01 volume 0.30063E-02 ppm1 4.114 ppm2 8.004 CV 1 ASSI { 1120} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 72 and name HN )) 3.500 1.500 1.500 peak 1120 spectrum 1 weight 0.10000E+01 volume 0.16872E-02 ppm1 2.010 ppm2 8.004 CV 1 ASSI { 1121} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 72 and name HN )) 2.700 0.900 0.900 peak 1121 spectrum 1 weight 0.10000E+01 volume 0.16893E-02 ppm1 1.913 ppm2 8.004 CV 1 ASSI { 1122} (( segid " " and resid 72 and name HB1 )) (( segid " " and resid 73 and name HN )) 4.400 2.400 1.600 peak 1122 spectrum 1 weight 0.10000E+01 volume 0.53848E-03 ppm1 2.013 ppm2 7.732 CV 1 ASSI { 1123} (( segid " " and resid 72 and name HB2 )) (( segid " " and resid 73 and name HN )) 4.000 2.000 2.000 peak 1123 spectrum 1 weight 0.10000E+01 volume 0.47231E-03 ppm1 1.913 ppm2 7.728 CV 1 ASSI { 1124} (( segid " " and resid 72 and name HA )) (( segid " " and resid 73 and name HN )) 3.200 1.300 1.300 peak 1124 spectrum 1 weight 0.10000E+01 volume 0.10874E-02 ppm1 4.114 ppm2 7.734 CV 1 ASSI { 1133} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HG2 )) 3.100 1.200 1.200 peak 1133 spectrum 1 weight 0.10000E+01 volume 0.18347E-02 ppm1 4.115 ppm2 2.494 CV 1 ASSI { 1134} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB1 )) 2.700 0.900 0.900 peak 1134 spectrum 1 weight 0.10000E+01 volume 0.21841E-02 ppm1 4.114 ppm2 2.012 CV 1 ASSI { 1135} (( segid " " and resid 72 and name HA )) (( segid " " and resid 72 and name HB2 )) 3.000 1.200 1.200 peak 1135 spectrum 1 weight 0.10000E+01 volume 0.25236E-02 ppm1 4.116 ppm2 1.912 CV 1 ASSI { 1140} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HN )) 3.100 1.200 1.200 peak 1140 spectrum 1 weight 0.10000E+01 volume 0.21690E-02 ppm1 2.618 ppm2 8.003 CV 1 ASSI { 1141} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HN )) 2.800 1.000 1.000 peak 1141 spectrum 1 weight 0.10000E+01 volume 0.16600E-02 ppm1 2.488 ppm2 8.002 CV 1 ASSI { 1143} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HA )) 3.500 1.600 1.600 peak 1143 spectrum 1 weight 0.10000E+01 volume 0.17160E-02 ppm1 2.617 ppm2 4.119 CV 1 ASSI { 1145} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 69 and name HA )) 3.800 1.800 1.800 peak 1145 spectrum 1 weight 0.10000E+01 volume 0.39703E-03 ppm1 2.617 ppm2 4.051 CV 1 ASSI { 1146} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 69 and name HA )) 4.200 2.200 1.800 peak 1146 spectrum 1 weight 0.10000E+01 volume 0.22129E-03 ppm1 2.492 ppm2 4.051 CV 1 ASSI { 1151} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HB1 )) 3.000 1.200 1.200 peak 1151 spectrum 1 weight 0.10000E+01 volume 0.11444E-02 ppm1 2.618 ppm2 2.012 CV 1 ASSI { 1152} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB1 )) 3.300 1.400 1.400 peak 1152 spectrum 1 weight 0.10000E+01 volume 0.11615E-02 ppm1 2.489 ppm2 2.011 CV 1 ASSI { 1153} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 72 and name HB2 )) 3.100 1.200 1.200 peak 1153 spectrum 1 weight 0.10000E+01 volume 0.10724E-02 ppm1 2.618 ppm2 1.919 CV 1 ASSI { 1154} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 72 and name HB2 )) 3.000 1.100 1.100 peak 1154 spectrum 1 weight 0.10000E+01 volume 0.12485E-02 ppm1 2.486 ppm2 1.914 CV 1 ASSI { 1155} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 68 and name HB1 )) 3.400 3.400 2.600 peak 1155 spectrum 1 weight 0.10000E+01 volume 0.11752E-02 ppm1 2.618 ppm2 1.829 CV 1 ASSI { 1156} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 68 and name HB1 )) 3.400 1.400 1.400 peak 1156 spectrum 1 weight 0.10000E+01 volume 0.12270E-02 ppm1 2.487 ppm2 1.827 CV 1 ASSI { 1159} (( segid " " and resid 72 and name HG1 )) ( segid " " and resid 69 and name HD2%) 3.500 3.500 2.500 peak 1159 spectrum 1 weight 0.10000E+01 volume 0.15498E-03 ppm1 2.617 ppm2 0.823 CV 1 ASSI { 1160} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 69 and name HD2%) 3.200 3.200 2.800 peak 1160 spectrum 1 weight 0.10000E+01 volume 0.27738E-03 ppm1 2.489 ppm2 0.822 CV 1 ASSI { 1163} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB2 )) 2.700 0.900 0.900 peak 1163 spectrum 1 weight 0.10000E+01 volume 0.27155E-02 ppm1 4.040 ppm2 2.129 CV 1 ASSI { 1164} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HB1 )) 3.400 1.400 1.400 peak 1164 spectrum 1 weight 0.10000E+01 volume 0.12193E-02 ppm1 4.037 ppm2 2.199 CV 1 OR { 1164} (( segid " " and resid 71 and name HA )) (( segid " " and resid 71 and name HG2 )) ASSI { 1165} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 44 and name HG2%) 3.600 1.700 1.700 peak 1165 spectrum 1 weight 0.10000E+01 volume 0.57963E-03 ppm1 2.191 ppm2 0.994 CV 1 ASSI { 1166} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 44 and name HG2%) 4.800 2.900 1.200 peak 1166 spectrum 1 weight 0.10000E+01 volume 0.57687E-03 ppm1 2.113 ppm2 0.994 CV 1 ASSI { 1167} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 39 and name HD2%) 3.900 1.900 1.900 peak 1167 spectrum 1 weight 0.10000E+01 volume 0.10881E-02 ppm1 2.186 ppm2 0.906 CV 1 ASSI { 1168} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 39 and name HD2%) 3.300 1.400 1.400 peak 1168 spectrum 1 weight 0.10000E+01 volume 0.12876E-02 ppm1 2.110 ppm2 0.903 CV 1 ASSI { 1169} (( segid " " and resid 43 and name HB1 )) ( segid " " and resid 47 and name HD1%) 3.300 1.400 1.400 peak 1169 spectrum 1 weight 0.10000E+01 volume 0.16371E-02 ppm1 2.187 ppm2 0.774 CV 1 ASSI { 1172} (( segid " " and resid 71 and name HA )) (( segid " " and resid 72 and name HN )) 3.000 1.200 1.200 peak 1172 spectrum 1 weight 0.10000E+01 volume 0.18895E-02 ppm1 4.037 ppm2 7.986 CV 1 ASSI { 1183} (( segid " " and resid 66 and name HA )) (( segid " " and resid 64 and name HB2 )) 3.900 1.900 1.900 peak 1183 spectrum 1 weight 0.10000E+01 volume 0.12357E-02 ppm1 4.034 ppm2 1.148 CV 1 ASSI { 1185} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HA )) 2.700 0.900 0.900 peak 1185 spectrum 1 weight 0.10000E+01 volume 0.30009E-02 ppm1 1.951 ppm2 4.037 CV 1 ASSI { 1186} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HA )) 2.400 0.700 0.700 peak 1186 spectrum 1 weight 0.10000E+01 volume 0.30282E-02 ppm1 1.299 ppm2 4.036 CV 1 ASSI { 1187} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 67 and name HN )) 2.500 0.800 0.800 peak 1187 spectrum 1 weight 0.10000E+01 volume 0.83143E-03 ppm1 1.951 ppm2 8.922 CV 1 ASSI { 1188} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HN )) 3.400 1.400 1.400 peak 1188 spectrum 1 weight 0.10000E+01 volume 0.11717E-02 ppm1 1.951 ppm2 8.808 CV 1 ASSI { 1190} (( segid " " and resid 66 and name HA )) (( segid " " and resid 67 and name HN )) 3.800 1.800 1.800 peak 1190 spectrum 1 weight 0.10000E+01 volume 0.60836E-03 ppm1 4.037 ppm2 8.923 CV 1 ASSI { 1191} (( segid " " and resid 66 and name HA )) (( segid " " and resid 66 and name HN )) 3.200 1.200 1.200 peak 1191 spectrum 1 weight 0.10000E+01 volume 0.68989E-03 ppm1 4.037 ppm2 8.808 CV 1 ASSI { 1192} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HN )) 3.400 1.400 1.400 peak 1192 spectrum 1 weight 0.10000E+01 volume 0.66274E-03 ppm1 1.299 ppm2 8.807 CV 1 ASSI { 1193} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 67 and name HN )) 4.600 2.600 1.400 peak 1193 spectrum 1 weight 0.10000E+01 volume 0.52465E-03 ppm1 1.299 ppm2 8.920 CV 1 ASSI { 1194} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HG )) 2.700 0.900 0.900 peak 1194 spectrum 1 weight 0.10000E+01 volume 0.14458E-02 ppm1 1.298 ppm2 1.754 CV 1 ASSI { 1195} (( segid " " and resid 66 and name HB1 )) (( segid " " and resid 66 and name HG )) 2.600 0.900 0.900 peak 1195 spectrum 1 weight 0.10000E+01 volume 0.16121E-02 ppm1 1.953 ppm2 1.756 CV 1 ASSI { 1205} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 66 and name HD2%) 2.400 0.700 0.700 peak 1205 spectrum 1 weight 0.10000E+01 volume 0.46517E-02 ppm1 1.298 ppm2 0.711 CV 1 ASSI { 1206} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 66 and name HD2%) 3.000 1.200 1.200 peak 1206 spectrum 1 weight 0.10000E+01 volume 0.30501E-02 ppm1 1.953 ppm2 0.716 CV 1 ASSI { 1210} (( segid " " and resid 66 and name HG )) (( segid " " and resid 66 and name HN )) 4.900 3.000 1.100 peak 1210 spectrum 1 weight 0.10000E+01 volume 0.43344E-03 ppm1 1.748 ppm2 8.804 CV 1 ASSI { 1211} (( segid " " and resid 66 and name HB2 )) ( segid " " and resid 65 and name HG2%) 4.400 2.500 1.600 peak 1211 spectrum 1 weight 0.10000E+01 volume 0.49901E-03 ppm1 1.294 ppm2 0.951 CV 1 ASSI { 1212} (( segid " " and resid 66 and name HB1 )) ( segid " " and resid 65 and name HG2%) 4.400 2.500 1.600 peak 1212 spectrum 1 weight 0.10000E+01 volume 0.59889E-03 ppm1 1.964 ppm2 0.957 CV 1 ASSI { 1213} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HA )) 2.200 0.600 0.600 peak 1213 spectrum 1 weight 0.10000E+01 volume 0.79565E-02 ppm1 0.682 ppm2 4.035 CV 1 ASSI { 1214} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 67 and name HD1 )) 2.900 1.100 1.100 peak 1214 spectrum 1 weight 0.10000E+01 volume 0.16116E-02 ppm1 0.679 ppm2 3.322 CV 1 ASSI { 1215} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HG )) 2.200 0.600 0.600 peak 1215 spectrum 1 weight 0.10000E+01 volume 0.53755E-02 ppm1 0.681 ppm2 1.752 CV 1 ASSI { 1216} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HB1 )) 2.500 0.800 0.800 peak 1216 spectrum 1 weight 0.10000E+01 volume 0.26543E-02 ppm1 0.683 ppm2 1.970 CV 1 ASSI { 1220} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 1220 spectrum 1 weight 0.10000E+01 volume 0.64412E-03 ppm1 0.678 ppm2 7.915 CV 1 ASSI { 1221} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 66 and name HN )) 3.800 1.800 1.800 peak 1221 spectrum 1 weight 0.10000E+01 volume 0.16374E-02 ppm1 0.681 ppm2 8.813 CV 1 ASSI { 1223} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HN )) 3.000 1.100 1.100 peak 1223 spectrum 1 weight 0.10000E+01 volume 0.26597E-02 ppm1 4.036 ppm2 7.918 CV 1 ASSI { 1224} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HA )) 2.600 0.800 0.800 peak 1224 spectrum 1 weight 0.10000E+01 volume 0.26496E-02 ppm1 0.729 ppm2 4.038 CV 1 ASSI { 1225} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 67 and name HN )) 5.200 3.400 0.800 peak 1225 spectrum 1 weight 0.10000E+01 volume 0.36176E-03 ppm1 0.731 ppm2 8.918 CV 1 ASSI { 1226} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 66 and name HN )) 4.700 2.800 1.300 peak 1226 spectrum 1 weight 0.10000E+01 volume 0.49340E-03 ppm1 0.730 ppm2 8.813 CV 1 ASSI { 1233} (( segid " " and resid 66 and name HA )) (( segid " " and resid 69 and name HB1 )) 4.500 2.500 1.500 peak 1233 spectrum 1 weight 0.10000E+01 volume 0.66859E-03 ppm1 4.038 ppm2 2.035 CV 1 ASSI { 1235} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB2 )) 2.400 0.700 0.700 peak 1235 spectrum 1 weight 0.10000E+01 volume 0.39205E-02 ppm1 3.799 ppm2 1.594 CV 1 OR { 1235} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HB1 )) ASSI { 1236} (( segid " " and resid 11 and name HA )) ( segid " " and resid 10 and name HG1%) 3.100 1.200 1.200 peak 1236 spectrum 1 weight 0.10000E+01 volume 0.15774E-02 ppm1 3.795 ppm2 0.856 CV 1 ASSI { 1237} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB1 )) 3.700 1.700 1.700 peak 1237 spectrum 1 weight 0.10000E+01 volume 0.18081E-02 ppm1 3.800 ppm2 2.242 CV 1 OR { 1237} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HB2 )) ASSI { 1238} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HD1 )) 2.800 1.000 1.000 peak 1238 spectrum 1 weight 0.10000E+01 volume 0.59127E-03 ppm1 3.797 ppm2 3.319 CV 1 ASSI { 1239} (( segid " " and resid 67 and name HA )) (( segid " " and resid 68 and name HA )) 3.700 1.700 1.700 peak 1239 spectrum 1 weight 0.10000E+01 volume 0.54211E-03 ppm1 3.801 ppm2 4.051 CV 1 ASSI { 1240} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HN )) 3.200 1.300 1.300 peak 1240 spectrum 1 weight 0.10000E+01 volume 0.89843E-03 ppm1 3.799 ppm2 8.322 CV 1 ASSI { 1242} (( segid " " and resid 67 and name HA )) (( segid " " and resid 67 and name HN )) 2.600 0.800 0.800 peak 1242 spectrum 1 weight 0.10000E+01 volume 0.18878E-02 ppm1 3.799 ppm2 8.926 CV 1 ASSI { 1244} (( segid " " and resid 67 and name HA )) (( segid " " and resid 70 and name HG1 )) 4.100 2.100 1.900 peak 1244 spectrum 1 weight 0.10000E+01 volume 0.42063E-03 ppm1 3.800 ppm2 2.434 CV 1 ASSI { 1245} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 66 and name HB2 )) 5.500 3.800 0.500 peak 1245 spectrum 1 weight 0.10000E+01 volume 0.62318E-03 ppm1 1.578 ppm2 1.302 CV 1 OR { 1245} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 66 and name HB2 )) ASSI { 1246} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD1 )) 4.300 2.300 1.700 peak 1246 spectrum 1 weight 0.10000E+01 volume 0.30198E-03 ppm1 1.580 ppm2 3.326 CV 1 OR { 1246} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD1 )) ASSI { 1247} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 67 and name HD2 )) 4.100 2.100 1.900 peak 1247 spectrum 1 weight 0.10000E+01 volume 0.20305E-03 ppm1 1.584 ppm2 3.001 CV 1 OR { 1247} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 67 and name HD2 )) ASSI { 1248} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 69 and name HN )) 4.000 2.000 2.000 peak 1248 spectrum 1 weight 0.10000E+01 volume 0.67000E-03 ppm1 1.587 ppm2 7.910 CV 1 OR { 1248} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 69 and name HN )) ASSI { 1249} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HG1 )) 3.400 3.400 2.600 peak 1249 spectrum 1 weight 0.10000E+01 volume 0.22233E-02 ppm1 1.590 ppm2 1.481 CV 1 OR { 1249} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HG1 )) OR { 1249} (( segid " " and resid 67 and name HB2 )) (( segid " " and resid 68 and name HG2 )) OR { 1249} (( segid " " and resid 67 and name HB1 )) (( segid " " and resid 68 and name HG2 )) ASSI { 1252} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HB2 )) 4.700 2.800 1.300 peak 1252 spectrum 1 weight 0.10000E+01 volume 0.75902E-03 ppm1 3.803 ppm2 1.302 CV 1 ASSI { 1253} (( segid " " and resid 67 and name HA )) (( segid " " and resid 66 and name HG )) 2.000 2.000 4.000 peak 1253 spectrum 1 weight 0.10000E+01 volume 0.41979E-02 ppm1 3.794 ppm2 1.731 CV 1 ASSI { 1256} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 67 and name HE )) 2.900 1.000 1.000 peak 1256 spectrum 1 weight 0.10000E+01 volume 0.60327E-03 ppm1 3.322 ppm2 8.672 CV 1 ASSI { 1257} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HE )) 3.200 1.300 1.300 peak 1257 spectrum 1 weight 0.10000E+01 volume 0.56772E-03 ppm1 2.998 ppm2 8.675 CV 1 ASSI { 1258} (( segid " " and resid 67 and name HD1 )) (( segid " " and resid 69 and name HN )) 4.600 2.600 1.400 peak 1258 spectrum 1 weight 0.10000E+01 volume 0.36065E-03 ppm1 3.322 ppm2 7.908 CV 1 ASSI { 1259} (( segid " " and resid 67 and name HA )) (( segid " " and resid 69 and name HN )) 3.400 1.500 1.500 peak 1259 spectrum 1 weight 0.10000E+01 volume 0.45039E-03 ppm1 3.796 ppm2 7.914 CV 1 ASSI { 1275} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 65 and name HN )) 2.200 0.600 0.600 peak 1275 spectrum 1 weight 0.10000E+01 volume 0.40483E-02 ppm1 1.845 ppm2 6.391 CV 1 OR { 1275} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 65 and name HN )) ASSI { 1278} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 1278 spectrum 1 weight 0.10000E+01 volume 0.55821E-02 ppm1 1.845 ppm2 7.913 CV 1 OR { 1278} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 69 and name HN )) ASSI { 1280} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HA )) 3.200 1.300 1.300 peak 1280 spectrum 1 weight 0.10000E+01 volume 0.12892E-02 ppm1 1.844 ppm2 4.176 CV 1 OR { 1280} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 64 and name HA )) ASSI { 1281} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 68 and name HA )) 2.200 0.600 0.600 peak 1281 spectrum 1 weight 0.10000E+01 volume 0.59127E-02 ppm1 1.845 ppm2 4.050 CV 1 OR { 1281} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 68 and name HA )) ASSI { 1285} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HB2 )) 4.600 2.600 1.400 peak 1285 spectrum 1 weight 0.10000E+01 volume 0.68737E-03 ppm1 1.842 ppm2 1.122 CV 1 OR { 1285} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 64 and name HB2 )) ASSI { 1287} (( segid " " and resid 68 and name HB1 )) ( segid " " and resid 64 and name HD1%) 3.400 1.400 1.400 peak 1287 spectrum 1 weight 0.10000E+01 volume 0.36493E-02 ppm1 1.845 ppm2 0.796 CV 1 OR { 1287} (( segid " " and resid 68 and name HB2 )) ( segid " " and resid 64 and name HD1%) ASSI { 1292} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HE2 )) 4.000 2.000 2.000 peak 1292 spectrum 1 weight 0.10000E+01 volume 0.15170E-02 ppm1 4.057 ppm2 2.920 CV 1 OR { 1292} (( segid " " and resid 68 and name HA )) (( segid " " and resid 68 and name HE1 )) ASSI { 1294} (( segid " " and resid 68 and name HA )) (( segid " " and resid 72 and name HG2 )) 3.800 1.800 1.800 peak 1294 spectrum 1 weight 0.10000E+01 volume 0.11213E-02 ppm1 4.052 ppm2 2.511 CV 1 ASSI { 1296} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HB2 )) 2.100 0.600 0.600 peak 1296 spectrum 1 weight 0.10000E+01 volume 0.74385E-02 ppm1 1.505 ppm2 1.842 CV 1 OR { 1296} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB1 )) OR { 1296} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HB1 )) OR { 1296} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HB2 )) ASSI { 1297} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HD1 )) 1.800 0.400 0.400 peak 1297 spectrum 1 weight 0.10000E+01 volume 0.20665E-01 ppm1 1.504 ppm2 1.698 CV 1 OR { 1297} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HD2 )) OR { 1297} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HD2 )) OR { 1297} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HD1 )) ASSI { 1299} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 65 and name HG2%) 4.300 2.300 1.700 peak 1299 spectrum 1 weight 0.10000E+01 volume 0.75392E-03 ppm1 1.501 ppm2 0.966 CV 1 OR { 1299} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 65 and name HG2%) ASSI { 1302} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 68 and name HA )) 2.600 0.800 0.800 peak 1302 spectrum 1 weight 0.10000E+01 volume 0.31332E-02 ppm1 1.505 ppm2 4.049 CV 1 OR { 1302} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 68 and name HA )) ASSI { 1303} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 64 and name HA )) 4.400 2.400 1.600 peak 1303 spectrum 1 weight 0.10000E+01 volume 0.57453E-03 ppm1 1.502 ppm2 4.171 CV 1 OR { 1303} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 64 and name HA )) ASSI { 1305} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 65 and name HN )) 4.400 2.400 1.600 peak 1305 spectrum 1 weight 0.10000E+01 volume 0.85128E-03 ppm1 1.505 ppm2 6.391 CV 1 OR { 1305} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 65 and name HN )) ASSI { 1306} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 69 and name HN )) 3.100 1.200 1.200 peak 1306 spectrum 1 weight 0.10000E+01 volume 0.23254E-02 ppm1 1.505 ppm2 7.912 CV 1 OR { 1306} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 69 and name HN )) ASSI { 1308} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HA )) 3.800 1.800 1.800 peak 1308 spectrum 1 weight 0.10000E+01 volume 0.12890E-02 ppm1 3.178 ppm2 4.092 CV 1 OR { 1308} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HA )) ASSI { 1309} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HE )) 3.700 1.700 1.700 peak 1309 spectrum 1 weight 0.10000E+01 volume 0.42459E-03 ppm1 3.178 ppm2 7.356 CV 1 OR { 1309} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HE )) ASSI { 1312} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HN )) 3.000 3.000 3.000 peak 1312 spectrum 1 weight 0.10000E+01 volume 0.36826E-03 ppm1 3.181 ppm2 8.484 CV 1 OR { 1312} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HN )) ASSI { 1315} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HB1 )) 2.700 0.900 0.900 peak 1315 spectrum 1 weight 0.10000E+01 volume 0.33875E-02 ppm1 4.094 ppm2 1.968 CV 1 ASSI { 1316} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG2 )) 3.100 1.200 1.200 peak 1316 spectrum 1 weight 0.10000E+01 volume 0.20821E-02 ppm1 4.094 ppm2 1.609 CV 1 ASSI { 1317} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 51 and name HG2 )) 3.100 3.100 2.900 peak 1317 spectrum 1 weight 0.10000E+01 volume 0.35138E-03 ppm1 3.173 ppm2 2.230 CV 1 OR { 1317} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 51 and name HG2 )) OR { 1317} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 51 and name HG1 )) ASSI { 1318} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG1 )) 2.500 0.800 0.800 peak 1318 spectrum 1 weight 0.10000E+01 volume 0.36098E-02 ppm1 3.175 ppm2 1.780 CV 1 OR { 1318} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG1 )) ASSI { 1319} (( segid " " and resid 50 and name HA )) (( segid " " and resid 50 and name HG1 )) 3.000 1.100 1.100 peak 1319 spectrum 1 weight 0.10000E+01 volume 0.14252E-02 ppm1 4.089 ppm2 1.782 CV 1 ASSI { 1323} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HA )) 3.000 1.100 1.100 peak 1323 spectrum 1 weight 0.10000E+01 volume 0.14550E-02 ppm1 1.875 ppm2 4.097 CV 1 ASSI { 1325} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HD2 )) 3.100 1.200 1.200 peak 1325 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 1.873 ppm2 3.173 CV 1 OR { 1325} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 50 and name HD1 )) ASSI { 1333} (( segid " " and resid 50 and name HB1 )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 1333 spectrum 1 weight 0.10000E+01 volume 0.49583E-03 ppm1 1.946 ppm2 8.552 CV 1 ASSI { 1334} (( segid " " and resid 50 and name HB2 )) (( segid " " and resid 51 and name HN )) 4.500 2.500 1.500 peak 1334 spectrum 1 weight 0.10000E+01 volume 0.36176E-03 ppm1 1.881 ppm2 8.555 CV 1 ASSI { 1337} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 46 and name HE21)) 4.500 2.600 1.500 peak 1337 spectrum 1 weight 0.10000E+01 volume 0.15518E-03 ppm1 2.391 ppm2 6.840 CV 1 ASSI { 1338} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 46 and name HE21)) 4.000 2.000 2.000 peak 1338 spectrum 1 weight 0.10000E+01 volume 0.22337E-03 ppm1 2.577 ppm2 6.848 CV 1 ASSI { 1339} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 54 and name HN )) 4.200 2.200 1.800 peak 1339 spectrum 1 weight 0.10000E+01 volume 0.68485E-03 ppm1 2.089 ppm2 7.630 CV 1 OR { 1339} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 54 and name HN )) ASSI { 1340} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HN )) 2.400 0.700 0.700 peak 1340 spectrum 1 weight 0.10000E+01 volume 0.42252E-02 ppm1 2.086 ppm2 7.929 CV 1 OR { 1340} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HN )) ASSI { 1341} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HN )) 3.000 1.100 1.100 peak 1341 spectrum 1 weight 0.10000E+01 volume 0.24683E-02 ppm1 2.085 ppm2 8.486 CV 1 OR { 1341} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HN )) ASSI { 1342} (( segid " " and resid 49 and name HA )) (( segid " " and resid 50 and name HN )) 3.500 1.500 1.500 peak 1342 spectrum 1 weight 0.10000E+01 volume 0.58275E-03 ppm1 3.833 ppm2 8.491 CV 1 ASSI { 1344} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 49 and name HA )) 2.700 0.900 0.900 peak 1344 spectrum 1 weight 0.10000E+01 volume 0.25853E-02 ppm1 2.088 ppm2 3.837 CV 1 OR { 1344} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 49 and name HA )) ASSI { 1346} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 46 and name HN )) 3.000 3.000 3.000 peak 1346 spectrum 1 weight 0.10000E+01 volume 0.37561E-03 ppm1 2.091 ppm2 8.101 CV 1 OR { 1346} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 46 and name HN )) ASSI { 1347} (( segid " " and resid 49 and name HB1 )) ( segid " " and resid 55 and name HG2%) 3.800 1.800 1.800 peak 1347 spectrum 1 weight 0.10000E+01 volume 0.19533E-02 ppm1 2.091 ppm2 0.796 CV 1 OR { 1347} (( segid " " and resid 49 and name HB2 )) ( segid " " and resid 55 and name HG2%) ASSI { 1349} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HD1 )) 4.200 2.200 1.800 peak 1349 spectrum 1 weight 0.10000E+01 volume 0.45609E-03 ppm1 2.093 ppm2 3.159 CV 1 OR { 1349} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 50 and name HD2 )) OR { 1349} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HD1 )) OR { 1349} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 50 and name HD2 )) ASSI { 1351} (( segid " " and resid 49 and name HA )) (( segid " " and resid 54 and name HN )) 2.500 0.800 0.800 peak 1351 spectrum 1 weight 0.10000E+01 volume 0.35828E-02 ppm1 3.833 ppm2 7.633 CV 1 ASSI { 1352} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HA )) 3.500 1.600 1.600 peak 1352 spectrum 1 weight 0.10000E+01 volume 0.49652E-03 ppm1 3.837 ppm2 4.499 CV 1 ASSI { 1353} (( segid " " and resid 49 and name HA )) (( segid " " and resid 46 and name HA )) 4.600 2.700 1.400 peak 1353 spectrum 1 weight 0.10000E+01 volume 0.35405E-03 ppm1 3.832 ppm2 4.250 CV 1 ASSI { 1354} (( segid " " and resid 49 and name HA )) (( segid " " and resid 48 and name HA )) 3.900 1.900 1.900 peak 1354 spectrum 1 weight 0.10000E+01 volume 0.46697E-03 ppm1 3.836 ppm2 3.975 CV 1 ASSI { 1357} (( segid " " and resid 49 and name HG2 )) ( segid " " and resid 55 and name HG2%) 4.600 2.600 1.400 peak 1357 spectrum 1 weight 0.10000E+01 volume 0.97522E-03 ppm1 2.072 ppm2 0.803 CV 1 ASSI { 1362} (( segid " " and resid 49 and name HA )) (( segid " " and resid 49 and name HN )) 2.800 1.000 1.000 peak 1362 spectrum 1 weight 0.10000E+01 volume 0.18855E-02 ppm1 3.831 ppm2 7.927 CV 1 ASSI { 1368} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HA )) 2.800 1.000 1.000 peak 1368 spectrum 1 weight 0.10000E+01 volume 0.16552E-02 ppm1 2.174 ppm2 3.837 CV 1 ASSI { 1369} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HA )) 3.200 1.300 1.300 peak 1369 spectrum 1 weight 0.10000E+01 volume 0.17737E-02 ppm1 2.064 ppm2 3.839 CV 1 ASSI { 1370} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 46 and name HA )) 4.100 2.100 1.900 peak 1370 spectrum 1 weight 0.10000E+01 volume 0.50318E-03 ppm1 2.073 ppm2 4.239 CV 1 ASSI { 1371} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 49 and name HN )) 4.100 2.100 1.900 peak 1371 spectrum 1 weight 0.10000E+01 volume 0.11649E-02 ppm1 2.175 ppm2 7.932 CV 1 ASSI { 1372} (( segid " " and resid 49 and name HG1 )) (( segid " " and resid 50 and name HN )) 4.300 2.300 1.700 peak 1372 spectrum 1 weight 0.10000E+01 volume 0.64898E-03 ppm1 2.179 ppm2 8.486 CV 1 ASSI { 1373} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 49 and name HN )) 4.500 2.500 1.500 peak 1373 spectrum 1 weight 0.10000E+01 volume 0.67057E-03 ppm1 2.072 ppm2 7.930 CV 1 ASSI { 1374} (( segid " " and resid 49 and name HG2 )) (( segid " " and resid 50 and name HN )) 4.100 2.100 1.900 peak 1374 spectrum 1 weight 0.10000E+01 volume 0.46358E-03 ppm1 2.070 ppm2 8.486 CV 1 ASSI { 1375} (( segid " " and resid 43 and name HA )) ( segid " " and resid 39 and name HD2%) 3.900 1.900 1.900 peak 1375 spectrum 1 weight 0.10000E+01 volume 0.12574E-02 ppm1 4.090 ppm2 0.940 CV 1 ASSI { 1376} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HG1 )) 3.700 1.700 1.700 peak 1376 spectrum 1 weight 0.10000E+01 volume 0.48581E-03 ppm1 4.094 ppm2 2.584 CV 1 ASSI { 1377} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG1 )) 2.700 0.900 0.900 peak 1377 spectrum 1 weight 0.10000E+01 volume 0.23823E-02 ppm1 4.090 ppm2 2.393 CV 1 ASSI { 1378} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HG2 )) 3.300 1.300 1.300 peak 1378 spectrum 1 weight 0.10000E+01 volume 0.23544E-02 ppm1 4.089 ppm2 2.273 CV 1 ASSI { 1379} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB1 )) 3.000 1.100 1.100 peak 1379 spectrum 1 weight 0.10000E+01 volume 0.24767E-02 ppm1 4.089 ppm2 2.198 CV 1 ASSI { 1380} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HB2 )) 2.200 0.600 0.600 peak 1380 spectrum 1 weight 0.10000E+01 volume 0.56742E-02 ppm1 4.089 ppm2 2.116 CV 1 ASSI { 1383} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HN )) 3.700 1.700 1.700 peak 1383 spectrum 1 weight 0.10000E+01 volume 0.23724E-02 ppm1 2.392 ppm2 7.360 CV 1 ASSI { 1385} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 44 and name HN )) 4.100 2.100 1.900 peak 1385 spectrum 1 weight 0.10000E+01 volume 0.62132E-03 ppm1 2.392 ppm2 8.417 CV 1 ASSI { 1387} (( segid " " and resid 43 and name HA )) (( segid " " and resid 46 and name HN )) 3.200 1.300 1.300 peak 1387 spectrum 1 weight 0.10000E+01 volume 0.11420E-02 ppm1 4.090 ppm2 8.108 CV 1 ASSI { 1388} (( segid " " and resid 43 and name HA )) (( segid " " and resid 47 and name HN )) 3.900 1.900 1.900 peak 1388 spectrum 1 weight 0.10000E+01 volume 0.66046E-03 ppm1 4.088 ppm2 7.940 CV 1 ASSI { 1389} (( segid " " and resid 43 and name HA )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 1389 spectrum 1 weight 0.10000E+01 volume 0.30075E-02 ppm1 4.088 ppm2 7.358 CV 1 ASSI { 1394} (( segid " " and resid 43 and name HG1 )) ( segid " " and resid 39 and name HD2%) 2.700 2.700 3.300 peak 1394 spectrum 1 weight 0.10000E+01 volume 0.73545E-03 ppm1 2.393 ppm2 0.920 CV 1 ASSI { 1398} (( segid " " and resid 43 and name HG1 )) (( segid " " and resid 43 and name HB2 )) 2.500 0.800 0.800 peak 1398 spectrum 1 weight 0.10000E+01 volume 0.48290E-02 ppm1 2.392 ppm2 2.117 CV 1 ASSI { 1399} (( segid " " and resid 43 and name HG2 )) (( segid " " and resid 43 and name HB2 )) 3.600 1.600 1.600 peak 1399 spectrum 1 weight 0.10000E+01 volume 0.68773E-03 ppm1 2.260 ppm2 2.120 CV 1 ASSI { 1403} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HN )) 2.600 0.800 0.800 peak 1403 spectrum 1 weight 0.10000E+01 volume 0.30009E-02 ppm1 2.184 ppm2 7.360 CV 1 ASSI { 1404} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 43 and name HN )) 2.300 0.700 0.700 peak 1404 spectrum 1 weight 0.10000E+01 volume 0.35432E-02 ppm1 2.110 ppm2 7.361 CV 1 ASSI { 1405} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 44 and name HN )) 2.800 1.000 1.000 peak 1405 spectrum 1 weight 0.10000E+01 volume 0.13346E-02 ppm1 2.187 ppm2 8.415 CV 1 ASSI { 1406} (( segid " " and resid 43 and name HB1 )) (( segid " " and resid 43 and name HG1 )) 2.700 0.900 0.900 peak 1406 spectrum 1 weight 0.10000E+01 volume 0.35780E-02 ppm1 2.188 ppm2 2.395 CV 1 ASSI { 1408} (( segid " " and resid 43 and name HB2 )) ( segid " " and resid 47 and name HD1%) 3.700 1.700 1.700 peak 1408 spectrum 1 weight 0.10000E+01 volume 0.19843E-02 ppm1 2.110 ppm2 0.777 CV 1 ASSI { 1409} (( segid " " and resid 43 and name HB2 )) (( segid " " and resid 44 and name HN )) 3.700 1.700 1.700 peak 1409 spectrum 1 weight 0.10000E+01 volume 0.12415E-02 ppm1 2.110 ppm2 8.416 CV 1 ASSI { 1411} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB1 )) 2.300 0.700 0.700 peak 1411 spectrum 1 weight 0.10000E+01 volume 0.47063E-02 ppm1 3.959 ppm2 1.877 CV 1 ASSI { 1412} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HB2 )) 3.300 3.300 2.700 peak 1412 spectrum 1 weight 0.10000E+01 volume 0.88035E-03 ppm1 3.962 ppm2 1.766 CV 1 ASSI { 1413} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HB2 )) 3.000 1.100 1.100 peak 1413 spectrum 1 weight 0.10000E+01 volume 0.23992E-02 ppm1 3.958 ppm2 1.662 CV 1 ASSI { 1416} (( segid " " and resid 59 and name HA )) (( segid " " and resid 59 and name HN )) 2.600 0.800 0.800 peak 1416 spectrum 1 weight 0.10000E+01 volume 0.22282E-02 ppm1 3.960 ppm2 8.588 CV 1 ASSI { 1417} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HN )) 3.700 1.700 1.700 peak 1417 spectrum 1 weight 0.10000E+01 volume 0.64358E-03 ppm1 3.958 ppm2 7.827 CV 1 ASSI { 1418} (( segid " " and resid 59 and name HA )) (( segid " " and resid 60 and name HN )) 3.300 1.300 1.300 peak 1418 spectrum 1 weight 0.10000E+01 volume 0.81934E-03 ppm1 3.960 ppm2 7.165 CV 1 ASSI { 1419} (( segid " " and resid 59 and name HA )) ( segid " " and resid 58 and name HG2%) 3.200 1.200 1.200 peak 1419 spectrum 1 weight 0.10000E+01 volume 0.12151E-02 ppm1 3.959 ppm2 0.875 CV 1 ASSI { 1421} (( segid " " and resid 59 and name HA )) (( segid " " and resid 62 and name HD2 )) 3.600 3.600 2.400 peak 1421 spectrum 1 weight 0.10000E+01 volume 0.63776E-03 ppm1 3.960 ppm2 3.060 CV 1 ASSI { 1425} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD1 )) 2.700 0.900 0.900 peak 1425 spectrum 1 weight 0.10000E+01 volume 0.17329E-02 ppm1 1.663 ppm2 3.161 CV 1 OR { 1425} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HD2 )) ASSI { 1428} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 60 and name HN )) 3.300 1.300 1.300 peak 1428 spectrum 1 weight 0.10000E+01 volume 0.63227E-03 ppm1 1.663 ppm2 7.163 CV 1 ASSI { 1429} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 59 and name HN )) 3.400 1.400 1.400 peak 1429 spectrum 1 weight 0.10000E+01 volume 0.16077E-02 ppm1 1.878 ppm2 8.587 CV 1 ASSI { 1430} (( segid " " and resid 59 and name HB2 )) (( segid " " and resid 59 and name HN )) 2.700 0.900 0.900 peak 1430 spectrum 1 weight 0.10000E+01 volume 0.13812E-02 ppm1 1.661 ppm2 8.589 CV 1 ASSI { 1431} (( segid " " and resid 59 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 1431 spectrum 1 weight 0.10000E+01 volume 0.37726E-03 ppm1 1.881 ppm2 7.163 CV 1 ASSI { 1432} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HN )) 2.600 0.900 0.900 peak 1432 spectrum 1 weight 0.10000E+01 volume 0.36598E-03 ppm1 3.162 ppm2 8.589 CV 1 OR { 1432} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HN )) ASSI { 1433} (( segid " " and resid 59 and name HD2 )) (( segid " " and resid 59 and name HA )) 3.500 1.500 1.500 peak 1433 spectrum 1 weight 0.10000E+01 volume 0.14622E-02 ppm1 3.152 ppm2 3.958 CV 1 OR { 1433} (( segid " " and resid 59 and name HD1 )) (( segid " " and resid 59 and name HA )) ASSI { 1434} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HE21)) 3.700 1.700 1.700 peak 1434 spectrum 1 weight 0.10000E+01 volume 0.11037E-02 ppm1 4.374 ppm2 6.837 CV 1 ASSI { 1435} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HE22)) 4.800 2.900 1.200 peak 1435 spectrum 1 weight 0.10000E+01 volume 0.62624E-03 ppm1 4.378 ppm2 7.389 CV 1 ASSI { 1437} (( segid " " and resid 63 and name HA )) (( segid " " and resid 30 and name HB1 )) 2.900 1.000 1.000 peak 1437 spectrum 1 weight 0.10000E+01 volume 0.15171E-02 ppm1 4.376 ppm2 4.487 CV 1 ASSI { 1438} (( segid " " and resid 63 and name HA )) (( segid " " and resid 30 and name HB2 )) 3.300 1.400 1.400 peak 1438 spectrum 1 weight 0.10000E+01 volume 0.12819E-02 ppm1 4.377 ppm2 3.980 CV 1 ASSI { 1439} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HG1 )) 3.100 1.200 1.200 peak 1439 spectrum 1 weight 0.10000E+01 volume 0.99888E-03 ppm1 4.377 ppm2 2.544 CV 1 ASSI { 1441} (( segid " " and resid 63 and name HA )) (( segid " " and resid 63 and name HG2 )) 3.900 1.900 1.900 peak 1441 spectrum 1 weight 0.10000E+01 volume 0.14001E-02 ppm1 4.377 ppm2 2.408 CV 1 ASSI { 1444} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HA )) 2.600 0.800 0.800 peak 1444 spectrum 1 weight 0.10000E+01 volume 0.26655E-02 ppm1 2.328 ppm2 4.374 CV 1 ASSI { 1445} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 60 and name HA )) 4.700 2.800 1.300 peak 1445 spectrum 1 weight 0.10000E+01 volume 0.97201E-03 ppm1 2.329 ppm2 4.188 CV 1 ASSI { 1446} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HA )) 3.100 1.200 1.200 peak 1446 spectrum 1 weight 0.10000E+01 volume 0.18551E-02 ppm1 1.946 ppm2 4.371 CV 1 ASSI { 1447} (( segid " " and resid 63 and name HA )) (( segid " " and resid 31 and name HN )) 3.900 1.900 1.900 peak 1447 spectrum 1 weight 0.10000E+01 volume 0.28070E-03 ppm1 4.380 ppm2 8.576 CV 1 ASSI { 1448} (( segid " " and resid 63 and name HA )) (( segid " " and resid 32 and name HN )) 3.900 1.900 1.900 peak 1448 spectrum 1 weight 0.10000E+01 volume 0.40072E-03 ppm1 4.378 ppm2 8.471 CV 1 ASSI { 1449} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HE21)) 2.100 0.500 0.500 peak 1449 spectrum 1 weight 0.10000E+01 volume 0.30096E-02 ppm1 1.948 ppm2 6.841 CV 1 ASSI { 1450} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HE21)) 3.300 1.400 1.400 peak 1450 spectrum 1 weight 0.10000E+01 volume 0.19968E-02 ppm1 2.325 ppm2 6.838 CV 1 ASSI { 1451} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HE22)) 5.400 3.600 0.600 peak 1451 spectrum 1 weight 0.10000E+01 volume 0.65587E-03 ppm1 2.326 ppm2 7.392 CV 1 ASSI { 1452} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HE22)) 4.300 2.300 1.700 peak 1452 spectrum 1 weight 0.10000E+01 volume 0.86970E-03 ppm1 1.946 ppm2 7.393 CV 1 ASSI { 1453} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HG1 )) 2.400 0.700 0.700 peak 1453 spectrum 1 weight 0.10000E+01 volume 0.57894E-02 ppm1 2.325 ppm2 2.546 CV 1 ASSI { 1454} (( segid " " and resid 63 and name HB2 )) (( segid " " and resid 63 and name HG1 )) 2.700 0.900 0.900 peak 1454 spectrum 1 weight 0.10000E+01 volume 0.44949E-02 ppm1 1.947 ppm2 2.546 CV 1 ASSI { 1455} (( segid " " and resid 63 and name HB1 )) (( segid " " and resid 63 and name HG2 )) 2.500 0.800 0.800 peak 1455 spectrum 1 weight 0.10000E+01 volume 0.37438E-02 ppm1 2.325 ppm2 2.401 CV 1 ASSI { 1459} (( segid " " and resid 63 and name HG1 )) (( segid " " and resid 63 and name HE21)) 3.200 1.300 1.300 peak 1459 spectrum 1 weight 0.10000E+01 volume 0.18556E-02 ppm1 2.545 ppm2 6.837 CV 1 ASSI { 1460} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HE21)) 2.900 1.000 1.000 peak 1460 spectrum 1 weight 0.10000E+01 volume 0.19396E-02 ppm1 2.402 ppm2 6.837 CV 1 ASSI { 1461} (( segid " " and resid 63 and name HG1 )) (( segid " " and resid 63 and name HE22)) 4.000 2.000 2.000 peak 1461 spectrum 1 weight 0.10000E+01 volume 0.88239E-03 ppm1 2.541 ppm2 7.391 CV 1 ASSI { 1462} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HE22)) 4.300 2.300 1.700 peak 1462 spectrum 1 weight 0.10000E+01 volume 0.51637E-03 ppm1 2.403 ppm2 7.386 CV 1 ASSI { 1466} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 60 and name HA )) 4.400 2.400 1.600 peak 1466 spectrum 1 weight 0.10000E+01 volume 0.36970E-03 ppm1 2.405 ppm2 4.196 CV 1 ASSI { 1468} (( segid " " and resid 63 and name HG2 )) (( segid " " and resid 63 and name HB2 )) 2.400 0.700 0.700 peak 1468 spectrum 1 weight 0.10000E+01 volume 0.45600E-02 ppm1 2.404 ppm2 1.950 CV 1 ASSI { 1478} (( segid " " and resid 63 and name HG1 )) (( segid " " and resid 60 and name HA )) 5.300 3.600 0.700 peak 1478 spectrum 1 weight 0.10000E+01 volume 0.26792E-03 ppm1 2.542 ppm2 4.196 CV 1 ASSI { 1479} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HN )) 2.400 0.700 0.700 peak 1479 spectrum 1 weight 0.10000E+01 volume 0.34127E-02 ppm1 3.897 ppm2 8.322 CV 1 ASSI { 1480} (( segid " " and resid 70 and name HA )) (( segid " " and resid 72 and name HN )) 3.200 1.200 1.200 peak 1480 spectrum 1 weight 0.10000E+01 volume 0.15927E-02 ppm1 3.896 ppm2 7.985 CV 1 ASSI { 1481} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HN )) 4.200 2.200 1.800 peak 1481 spectrum 1 weight 0.10000E+01 volume 0.67984E-03 ppm1 3.895 ppm2 7.905 CV 1 ASSI { 1482} (( segid " " and resid 70 and name HA )) (( segid " " and resid 73 and name HN )) 3.500 1.500 1.500 peak 1482 spectrum 1 weight 0.10000E+01 volume 0.68449E-03 ppm1 3.894 ppm2 7.732 CV 1 ASSI { 1486} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HG1 )) 3.200 1.200 1.200 peak 1486 spectrum 1 weight 0.10000E+01 volume 0.23500E-02 ppm1 3.896 ppm2 2.434 CV 1 ASSI { 1487} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB1 )) 2.200 0.600 0.600 peak 1487 spectrum 1 weight 0.10000E+01 volume 0.71106E-02 ppm1 3.897 ppm2 2.238 CV 1 OR { 1487} (( segid " " and resid 70 and name HA )) (( segid " " and resid 70 and name HB2 )) ASSI { 1488} (( segid " " and resid 70 and name HA )) (( segid " " and resid 71 and name HB2 )) 4.500 2.600 1.500 peak 1488 spectrum 1 weight 0.10000E+01 volume 0.44886E-03 ppm1 3.895 ppm2 2.135 CV 1 ASSI { 1489} (( segid " " and resid 70 and name HA )) ( segid " " and resid 10 and name HG2%) 2.700 0.900 0.900 peak 1489 spectrum 1 weight 0.10000E+01 volume 0.45114E-02 ppm1 3.896 ppm2 0.940 CV 1 ASSI { 1493} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HG1 )) 2.300 0.700 0.700 peak 1493 spectrum 1 weight 0.10000E+01 volume 0.62186E-02 ppm1 2.238 ppm2 2.438 CV 1 OR { 1493} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HG1 )) ASSI { 1498} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 71 and name HA )) 3.800 1.800 1.800 peak 1498 spectrum 1 weight 0.10000E+01 volume 0.67717E-03 ppm1 2.235 ppm2 4.043 CV 1 OR { 1498} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 71 and name HA )) ASSI { 1499} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 72 and name HN )) 3.600 1.600 1.600 peak 1499 spectrum 1 weight 0.10000E+01 volume 0.20841E-02 ppm1 2.234 ppm2 7.985 CV 1 OR { 1499} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 72 and name HN )) ASSI { 1500} (( segid " " and resid 70 and name HB1 )) (( segid " " and resid 70 and name HN )) 2.700 0.900 0.900 peak 1500 spectrum 1 weight 0.10000E+01 volume 0.36703E-02 ppm1 2.238 ppm2 8.321 CV 1 OR { 1500} (( segid " " and resid 70 and name HB2 )) (( segid " " and resid 70 and name HN )) ASSI { 1504} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HA )) 3.400 1.400 1.400 peak 1504 spectrum 1 weight 0.10000E+01 volume 0.14693E-02 ppm1 2.298 ppm2 3.899 CV 1 ASSI { 1506} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 67 and name HA )) 3.400 1.400 1.400 peak 1506 spectrum 1 weight 0.10000E+01 volume 0.42120E-03 ppm1 2.301 ppm2 3.799 CV 1 ASSI { 1507} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HE21)) 3.700 1.700 1.700 peak 1507 spectrum 1 weight 0.10000E+01 volume 0.55513E-03 ppm1 2.300 ppm2 6.602 CV 1 ASSI { 1508} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 70 and name HN )) 2.900 1.000 1.000 peak 1508 spectrum 1 weight 0.10000E+01 volume 0.16602E-02 ppm1 2.433 ppm2 8.322 CV 1 ASSI { 1509} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HE22)) 4.300 2.300 1.700 peak 1509 spectrum 1 weight 0.10000E+01 volume 0.71100E-03 ppm1 2.298 ppm2 7.339 CV 1 ASSI { 1510} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 70 and name HE22)) 4.400 2.400 1.600 peak 1510 spectrum 1 weight 0.10000E+01 volume 0.57399E-03 ppm1 2.435 ppm2 7.339 CV 1 ASSI { 1511} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 70 and name HE21)) 3.100 1.200 1.200 peak 1511 spectrum 1 weight 0.10000E+01 volume 0.38953E-03 ppm1 2.436 ppm2 6.601 CV 1 ASSI { 1513} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 70 and name HN )) 2.700 0.900 0.900 peak 1513 spectrum 1 weight 0.10000E+01 volume 0.95443E-03 ppm1 2.299 ppm2 8.321 CV 1 ASSI { 1514} (( segid " " and resid 70 and name HG2 )) (( segid " " and resid 72 and name HN )) 4.800 2.900 1.200 peak 1514 spectrum 1 weight 0.10000E+01 volume 0.55929E-03 ppm1 2.299 ppm2 7.986 CV 1 ASSI { 1515} (( segid " " and resid 70 and name HG1 )) (( segid " " and resid 72 and name HN )) 4.500 2.600 1.500 peak 1515 spectrum 1 weight 0.10000E+01 volume 0.46082E-03 ppm1 2.435 ppm2 7.986 CV 1 ASSI { 1516} (( segid " " and resid 70 and name HG2 )) ( segid " " and resid 10 and name HG2%) 2.800 1.000 1.000 peak 1516 spectrum 1 weight 0.10000E+01 volume 0.84900E-03 ppm1 2.299 ppm2 0.941 CV 1 ASSI { 1531} (( segid " " and resid 87 and name HB1 )) (( segid " " and resid 87 and name HA )) 3.500 1.600 1.600 peak 1531 spectrum 1 weight 0.10000E+01 volume 0.65225E-03 ppm1 3.834 ppm2 4.373 CV 1 OR { 1531} (( segid " " and resid 87 and name HB2 )) (( segid " " and resid 87 and name HA )) ASSI { 1534} (( segid " " and resid 75 and name HA )) (( segid " " and resid 75 and name HN )) 4.200 2.200 1.800 peak 1534 spectrum 1 weight 0.10000E+01 volume 0.24400E-03 ppm1 4.333 ppm2 8.143 CV 1 ASSI { 1535} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HN )) 3.000 1.100 1.100 peak 1535 spectrum 1 weight 0.10000E+01 volume 0.18972E-02 ppm1 1.316 ppm2 8.077 CV 1 ASSI { 1536} (( segid " " and resid 84 and name HA )) (( segid " " and resid 84 and name HN )) 3.400 1.400 1.400 peak 1536 spectrum 1 weight 0.10000E+01 volume 0.79301E-03 ppm1 4.538 ppm2 8.071 CV 1 ASSI { 1537} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 85 and name HD1 )) 4.700 2.800 1.300 peak 1537 spectrum 1 weight 0.10000E+01 volume 0.47579E-03 ppm1 1.316 ppm2 3.758 CV 1 ASSI { 1538} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 85 and name HD2 )) 3.100 1.200 1.200 peak 1538 spectrum 1 weight 0.10000E+01 volume 0.12071E-02 ppm1 1.315 ppm2 3.595 CV 1 ASSI { 1539} ( segid " " and resid 84 and name HB% ) (( segid " " and resid 84 and name HA )) 2.300 0.700 0.700 peak 1539 spectrum 1 weight 0.10000E+01 volume 0.63362E-02 ppm1 1.317 ppm2 4.539 CV 1 ASSI { 1540} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HD1 )) 2.100 0.600 0.600 peak 1540 spectrum 1 weight 0.10000E+01 volume 0.52987E-02 ppm1 4.540 ppm2 3.760 CV 1 ASSI { 1541} (( segid " " and resid 84 and name HA )) (( segid " " and resid 85 and name HD2 )) 2.700 0.900 0.900 peak 1541 spectrum 1 weight 0.10000E+01 volume 0.41121E-02 ppm1 4.537 ppm2 3.597 CV 1 ASSI { 1552} (( segid " " and resid 83 and name HA )) (( segid " " and resid 83 and name HN )) 2.600 0.900 0.900 peak 1552 spectrum 1 weight 0.10000E+01 volume 0.35609E-02 ppm1 4.265 ppm2 8.078 CV 1 ASSI { 1555} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HA )) 2.600 0.900 0.900 peak 1555 spectrum 1 weight 0.10000E+01 volume 0.38956E-02 ppm1 1.339 ppm2 4.251 CV 1 ASSI { 1557} ( segid " " and resid 83 and name HB% ) (( segid " " and resid 83 and name HN )) 3.100 1.200 1.200 peak 1557 spectrum 1 weight 0.10000E+01 volume 0.16470E-02 ppm1 1.331 ppm2 8.091 CV 1 ASSI { 1560} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HN )) 2.800 1.000 1.000 peak 1560 spectrum 1 weight 0.10000E+01 volume 0.25064E-02 ppm1 4.257 ppm2 8.098 CV 1 ASSI { 1562} (( segid " " and resid 82 and name HA )) ( segid " " and resid 82 and name HD1%) 3.400 1.400 1.400 peak 1562 spectrum 1 weight 0.10000E+01 volume 0.12289E-02 ppm1 4.261 ppm2 0.840 CV 1 ASSI { 1563} (( segid " " and resid 82 and name HA )) (( segid " " and resid 82 and name HB2 )) 3.200 1.300 1.300 peak 1563 spectrum 1 weight 0.10000E+01 volume 0.10213E-02 ppm1 4.259 ppm2 1.548 CV 1 ASSI { 1565} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HN )) 3.500 1.500 1.500 peak 1565 spectrum 1 weight 0.10000E+01 volume 0.87795E-03 ppm1 1.602 ppm2 8.113 CV 1 ASSI { 1566} (( segid " " and resid 82 and name HB2 )) (( segid " " and resid 82 and name HN )) 3.400 1.400 1.400 peak 1566 spectrum 1 weight 0.10000E+01 volume 0.88995E-03 ppm1 1.547 ppm2 8.112 CV 1 ASSI { 1567} (( segid " " and resid 82 and name HB1 )) (( segid " " and resid 82 and name HA )) 3.600 1.600 1.600 peak 1567 spectrum 1 weight 0.10000E+01 volume 0.57285E-03 ppm1 1.608 ppm2 4.258 CV 1 ASSI { 1572} (( segid " " and resid 6 and name HA )) (( segid " " and resid 6 and name HG1 )) 2.700 0.900 0.900 peak 1572 spectrum 1 weight 0.10000E+01 volume 0.30063E-02 ppm1 4.251 ppm2 2.321 CV 1 ASSI { 1581} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HA )) 2.700 0.900 0.900 peak 1581 spectrum 1 weight 0.10000E+01 volume 0.26933E-02 ppm1 3.418 ppm2 4.704 CV 1 ASSI { 1582} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.700 1.800 1.800 peak 1582 spectrum 1 weight 0.10000E+01 volume 0.74769E-03 ppm1 3.041 ppm2 7.632 CV 1 ASSI { 1583} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HN )) 2.900 1.000 1.000 peak 1583 spectrum 1 weight 0.10000E+01 volume 0.96052E-03 ppm1 3.043 ppm2 7.137 CV 1 ASSI { 1584} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 6 and name HE21)) 2.900 2.900 3.100 peak 1584 spectrum 1 weight 0.10000E+01 volume 0.51625E-03 ppm1 3.412 ppm2 6.783 CV 1 ASSI { 1585} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 6 and name HE21)) 2.900 2.900 3.100 peak 1585 spectrum 1 weight 0.10000E+01 volume 0.53728E-03 ppm1 3.046 ppm2 6.781 CV 1 ASSI { 1586} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 52 and name HN )) 3.900 1.900 1.900 peak 1586 spectrum 1 weight 0.10000E+01 volume 0.51427E-03 ppm1 3.419 ppm2 7.137 CV 1 ASSI { 1587} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 53 and name HN )) 3.800 1.800 1.800 peak 1587 spectrum 1 weight 0.10000E+01 volume 0.57507E-03 ppm1 3.415 ppm2 7.633 CV 1 ASSI { 1588} (( segid " " and resid 52 and name HB2 )) (( segid " " and resid 52 and name HA )) 3.400 1.500 1.500 peak 1588 spectrum 1 weight 0.10000E+01 volume 0.85578E-03 ppm1 3.044 ppm2 4.707 CV 1 ASSI { 1589} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 54 and name HD1%) 3.300 1.300 1.300 peak 1589 spectrum 1 weight 0.10000E+01 volume 0.71466E-03 ppm1 3.406 ppm2 0.843 CV 1 OR { 1589} (( segid " " and resid 52 and name HB1 )) ( segid " " and resid 54 and name HD2%) ASSI { 1593} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 54 and name HD1%) 4.800 2.800 1.200 peak 1593 spectrum 1 weight 0.10000E+01 volume 0.24825E-03 ppm1 3.044 ppm2 0.843 CV 1 OR { 1593} (( segid " " and resid 52 and name HB2 )) ( segid " " and resid 54 and name HD2%) ASSI { 1594} (( segid " " and resid 52 and name HB1 )) (( segid " " and resid 54 and name HB1 )) 4.700 2.700 1.300 peak 1594 spectrum 1 weight 0.10000E+01 volume 0.61004E-03 ppm1 3.417 ppm2 1.361 CV 1 ASSI { 1596} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG2 )) 2.700 0.900 0.900 peak 1596 spectrum 1 weight 0.10000E+01 volume 0.54070E-02 ppm1 4.348 ppm2 2.228 CV 1 OR { 1596} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HG1 )) ASSI { 1598} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 6 and name HE21)) 3.400 1.400 1.400 peak 1598 spectrum 1 weight 0.10000E+01 volume 0.98653E-03 ppm1 1.932 ppm2 6.784 CV 1 ASSI { 1599} (( segid " " and resid 51 and name HB1 )) (( segid " " and resid 51 and name HN )) 3.700 1.700 1.700 peak 1599 spectrum 1 weight 0.10000E+01 volume 0.16332E-02 ppm1 1.929 ppm2 8.553 CV 1 ASSI { 1600} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 51 and name HN )) 2.700 0.900 0.900 peak 1600 spectrum 1 weight 0.10000E+01 volume 0.14746E-02 ppm1 1.813 ppm2 8.556 CV 1 ASSI { 1601} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HN )) 2.800 1.000 1.000 peak 1601 spectrum 1 weight 0.10000E+01 volume 0.22605E-02 ppm1 4.349 ppm2 8.553 CV 1 ASSI { 1602} (( segid " " and resid 51 and name HA )) (( segid " " and resid 52 and name HN )) 3.700 1.700 1.700 peak 1602 spectrum 1 weight 0.10000E+01 volume 0.10962E-02 ppm1 4.350 ppm2 7.143 CV 1 ASSI { 1604} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB1 )) 2.600 0.900 0.900 peak 1604 spectrum 1 weight 0.10000E+01 volume 0.25254E-02 ppm1 4.350 ppm2 1.923 CV 1 ASSI { 1605} (( segid " " and resid 51 and name HA )) (( segid " " and resid 51 and name HB2 )) 2.900 1.100 1.100 peak 1605 spectrum 1 weight 0.10000E+01 volume 0.29430E-02 ppm1 4.353 ppm2 1.809 CV 1 ASSI { 1606} (( segid " " and resid 51 and name HB2 )) (( segid " " and resid 6 and name HE21)) 3.800 1.800 1.800 peak 1606 spectrum 1 weight 0.10000E+01 volume 0.78290E-03 ppm1 1.810 ppm2 6.785 CV 1 ASSI { 1613} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB1 )) 2.200 0.600 0.600 peak 1613 spectrum 1 weight 0.10000E+01 volume 0.99318E-02 ppm1 2.220 ppm2 1.928 CV 1 OR { 1613} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB1 )) ASSI { 1614} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HB2 )) 2.300 0.600 0.600 peak 1614 spectrum 1 weight 0.10000E+01 volume 0.50369E-02 ppm1 2.231 ppm2 1.813 CV 1 OR { 1614} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HB2 )) ASSI { 1617} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 51 and name HN )) 2.900 1.100 1.100 peak 1617 spectrum 1 weight 0.10000E+01 volume 0.17683E-02 ppm1 2.229 ppm2 8.553 CV 1 OR { 1617} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 51 and name HN )) ASSI { 1619} (( segid " " and resid 51 and name HG2 )) (( segid " " and resid 50 and name HG2 )) 3.900 1.900 1.900 peak 1619 spectrum 1 weight 0.10000E+01 volume 0.45135E-03 ppm1 2.229 ppm2 1.602 CV 1 OR { 1619} (( segid " " and resid 51 and name HG1 )) (( segid " " and resid 50 and name HG2 )) ASSI { 1620} (( segid " " and resid 51 and name HG1 )) ( segid " " and resid 47 and name HG2%) 3.200 1.200 1.200 peak 1620 spectrum 1 weight 0.10000E+01 volume 0.12012E-02 ppm1 2.232 ppm2 0.866 CV 1 OR { 1620} (( segid " " and resid 51 and name HG2 )) ( segid " " and resid 47 and name HG2%) ASSI { 1625} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HB )) 2.400 0.700 0.700 peak 1625 spectrum 1 weight 0.10000E+01 volume 0.43740E-02 ppm1 5.030 ppm2 4.667 CV 1 ASSI { 1627} (( segid " " and resid 65 and name HA )) ( segid " " and resid 31 and name HD1%) 3.400 1.400 1.400 peak 1627 spectrum 1 weight 0.10000E+01 volume 0.87168E-03 ppm1 5.027 ppm2 0.585 CV 1 ASSI { 1628} (( segid " " and resid 65 and name HA )) (( segid " " and resid 65 and name HN )) 3.100 1.200 1.200 peak 1628 spectrum 1 weight 0.10000E+01 volume 0.91496E-03 ppm1 5.031 ppm2 6.393 CV 1 ASSI { 1630} (( segid " " and resid 65 and name HA )) (( segid " " and resid 66 and name HN )) 2.700 0.900 0.900 peak 1630 spectrum 1 weight 0.10000E+01 volume 0.24032E-02 ppm1 5.030 ppm2 8.804 CV 1 ASSI { 1631} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 68 and name HB2 )) 3.500 1.500 1.500 peak 1631 spectrum 1 weight 0.10000E+01 volume 0.13487E-02 ppm1 0.961 ppm2 1.851 CV 1 OR { 1631} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 68 and name HB1 )) ASSI { 1632} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 68 and name HD2 )) 3.200 1.300 1.300 peak 1632 spectrum 1 weight 0.10000E+01 volume 0.11030E-02 ppm1 0.961 ppm2 1.706 CV 1 OR { 1632} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 68 and name HD1 )) ASSI { 1633} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 67 and name HB1 )) 4.500 2.500 1.500 peak 1633 spectrum 1 weight 0.10000E+01 volume 0.49532E-03 ppm1 0.961 ppm2 1.595 CV 1 OR { 1633} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 67 and name HB2 )) ASSI { 1637} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 28 and name HB1 )) 2.500 2.500 3.500 peak 1637 spectrum 1 weight 0.10000E+01 volume 0.11569E-02 ppm1 0.961 ppm2 2.939 CV 1 ASSI { 1639} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 30 and name HA )) 2.200 0.600 0.600 peak 1639 spectrum 1 weight 0.10000E+01 volume 0.84963E-02 ppm1 0.962 ppm2 4.673 CV 1 ASSI { 1642} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 64 and name HA )) 3.400 1.400 1.400 peak 1642 spectrum 1 weight 0.10000E+01 volume 0.94270E-03 ppm1 0.960 ppm2 4.173 CV 1 ASSI { 1643} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HA )) 2.500 0.800 0.800 peak 1643 spectrum 1 weight 0.10000E+01 volume 0.52099E-02 ppm1 0.962 ppm2 5.032 CV 1 ASSI { 1644} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 28 and name HA )) 2.700 0.900 0.900 peak 1644 spectrum 1 weight 0.10000E+01 volume 0.31724E-02 ppm1 0.962 ppm2 4.947 CV 1 ASSI { 1646} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 65 and name HN )) 2.600 0.800 0.800 peak 1646 spectrum 1 weight 0.10000E+01 volume 0.30534E-02 ppm1 0.962 ppm2 6.391 CV 1 ASSI { 1647} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 69 and name HN )) 4.200 2.200 1.800 peak 1647 spectrum 1 weight 0.10000E+01 volume 0.11357E-02 ppm1 0.962 ppm2 7.914 CV 1 ASSI { 1648} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 30 and name HN )) 2.600 2.600 3.400 peak 1648 spectrum 1 weight 0.10000E+01 volume 0.89603E-03 ppm1 0.962 ppm2 9.195 CV 1 ASSI { 1649} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 67 and name HN )) 3.900 1.900 1.900 peak 1649 spectrum 1 weight 0.10000E+01 volume 0.10363E-02 ppm1 0.962 ppm2 8.924 CV 1 ASSI { 1650} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 66 and name HN )) 3.700 1.700 1.700 peak 1650 spectrum 1 weight 0.10000E+01 volume 0.14262E-02 ppm1 0.961 ppm2 8.810 CV 1 ASSI { 1651} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 31 and name HN )) 3.600 1.600 1.600 peak 1651 spectrum 1 weight 0.10000E+01 volume 0.12443E-02 ppm1 0.962 ppm2 8.569 CV 1 ASSI { 1653} (( segid " " and resid 65 and name HA )) (( segid " " and resid 67 and name HN )) 4.100 2.100 1.900 peak 1653 spectrum 1 weight 0.10000E+01 volume 0.49982E-03 ppm1 5.037 ppm2 8.920 CV 1 ASSI { 1658} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HN )) 3.200 1.300 1.300 peak 1658 spectrum 1 weight 0.10000E+01 volume 0.81340E-03 ppm1 2.051 ppm2 8.269 CV 1 ASSI { 1659} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HN )) 3.500 1.500 1.500 peak 1659 spectrum 1 weight 0.10000E+01 volume 0.82483E-03 ppm1 1.957 ppm2 8.270 CV 1 ASSI { 1660} (( segid " " and resid 6 and name HB1 )) (( segid " " and resid 6 and name HA )) 3.200 1.300 1.300 peak 1660 spectrum 1 weight 0.10000E+01 volume 0.19960E-02 ppm1 2.052 ppm2 4.251 CV 1 ASSI { 1661} (( segid " " and resid 6 and name HB2 )) (( segid " " and resid 6 and name HA )) 2.600 0.900 0.900 peak 1661 spectrum 1 weight 0.10000E+01 volume 0.25288E-02 ppm1 1.960 ppm2 4.251 CV 1 ASSI { 1663} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HA )) 2.800 1.000 1.000 peak 1663 spectrum 1 weight 0.10000E+01 volume 0.30075E-02 ppm1 2.323 ppm2 4.251 CV 1 OR { 1663} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HA )) ASSI { 1664} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HE22)) 3.600 1.600 1.600 peak 1664 spectrum 1 weight 0.10000E+01 volume 0.17070E-02 ppm1 2.323 ppm2 7.516 CV 1 OR { 1664} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HE22)) ASSI { 1665} (( segid " " and resid 6 and name HG2 )) (( segid " " and resid 6 and name HE21)) 3.300 1.300 1.300 peak 1665 spectrum 1 weight 0.10000E+01 volume 0.75851E-03 ppm1 2.324 ppm2 6.814 CV 1 OR { 1665} (( segid " " and resid 6 and name HG1 )) (( segid " " and resid 6 and name HE21)) ASSI { 1668} (( segid " " and resid 7 and name HB1 )) (( segid " " and resid 7 and name HA )) 3.300 1.300 1.300 peak 1668 spectrum 1 weight 0.10000E+01 volume 0.12666E-02 ppm1 1.838 ppm2 4.278 CV 1 ASSI { 1670} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HB2 )) 2.700 0.900 0.900 peak 1670 spectrum 1 weight 0.10000E+01 volume 0.19561E-02 ppm1 4.279 ppm2 1.766 CV 1 ASSI { 1679} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG2 )) 3.100 1.200 1.200 peak 1679 spectrum 1 weight 0.10000E+01 volume 0.21647E-02 ppm1 4.280 ppm2 1.601 CV 1 OR { 1679} (( segid " " and resid 7 and name HA )) (( segid " " and resid 7 and name HG1 )) ASSI { 1680} (( segid " " and resid 62 and name HB2 )) (( segid " " and resid 62 and name HN )) 3.000 1.100 1.100 peak 1680 spectrum 1 weight 0.10000E+01 volume 0.46307E-03 ppm1 1.770 ppm2 7.826 CV 1 ASSI { 1683} (( segid " " and resid 7 and name HD2 )) (( segid " " and resid 7 and name HA )) 4.200 2.200 1.800 peak 1683 spectrum 1 weight 0.10000E+01 volume 0.12141E-02 ppm1 3.120 ppm2 4.277 CV 1 OR { 1683} (( segid " " and resid 7 and name HD1 )) (( segid " " and resid 7 and name HA )) ASSI { 1687} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD1 )) 2.700 0.900 0.900 peak 1687 spectrum 1 weight 0.10000E+01 volume 0.24564E-02 ppm1 1.602 ppm2 3.122 CV 1 OR { 1687} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD2 )) OR { 1687} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HD2 )) OR { 1687} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HD1 )) ASSI { 1688} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HN )) 4.600 2.700 1.400 peak 1688 spectrum 1 weight 0.10000E+01 volume 0.21269E-03 ppm1 1.593 ppm2 8.417 CV 1 OR { 1688} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HN )) ASSI { 1689} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB2 )) 2.600 0.900 0.900 peak 1689 spectrum 1 weight 0.10000E+01 volume 0.29485E-02 ppm1 1.599 ppm2 1.771 CV 1 OR { 1689} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB2 )) ASSI { 1690} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 7 and name HB1 )) 2.200 0.600 0.600 peak 1690 spectrum 1 weight 0.10000E+01 volume 0.77498E-02 ppm1 1.603 ppm2 1.849 CV 1 OR { 1690} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 7 and name HB1 )) ASSI { 1692} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HA )) 2.900 1.100 1.100 peak 1692 spectrum 1 weight 0.10000E+01 volume 0.28321E-02 ppm1 2.637 ppm2 4.579 CV 1 ASSI { 1693} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.300 1.400 1.400 peak 1693 spectrum 1 weight 0.10000E+01 volume 0.72372E-03 ppm1 2.763 ppm2 8.475 CV 1 ASSI { 1694} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 9 and name HN )) 4.100 2.100 1.900 peak 1694 spectrum 1 weight 0.10000E+01 volume 0.86280E-03 ppm1 2.638 ppm2 8.472 CV 1 ASSI { 1695} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 8 and name HN )) 4.200 2.200 1.800 peak 1695 spectrum 1 weight 0.10000E+01 volume 0.60875E-03 ppm1 2.759 ppm2 8.232 CV 1 ASSI { 1696} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 8 and name HN )) 3.200 1.300 1.300 peak 1696 spectrum 1 weight 0.10000E+01 volume 0.77804E-03 ppm1 2.636 ppm2 8.232 CV 1 ASSI { 1697} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HN )) 3.700 1.700 1.700 peak 1697 spectrum 1 weight 0.10000E+01 volume 0.50294E-03 ppm1 2.760 ppm2 7.785 CV 1 ASSI { 1698} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HN )) 3.300 1.400 1.400 peak 1698 spectrum 1 weight 0.10000E+01 volume 0.55815E-03 ppm1 2.637 ppm2 7.784 CV 1 ASSI { 1699} (( segid " " and resid 8 and name HA )) (( segid " " and resid 9 and name HN )) 2.100 0.600 0.600 peak 1699 spectrum 1 weight 0.10000E+01 volume 0.69787E-02 ppm1 4.572 ppm2 8.475 CV 1 ASSI { 1700} (( segid " " and resid 8 and name HA )) (( segid " " and resid 8 and name HB1 )) 2.500 0.800 0.800 peak 1700 spectrum 1 weight 0.10000E+01 volume 0.29355E-02 ppm1 4.577 ppm2 2.754 CV 1 ASSI { 1706} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB1 )) 3.900 1.900 1.900 peak 1706 spectrum 1 weight 0.10000E+01 volume 0.16756E-02 ppm1 2.761 ppm2 1.732 CV 1 OR { 1706} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1707} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB1 )) 2.800 1.000 1.000 peak 1707 spectrum 1 weight 0.10000E+01 volume 0.17818E-02 ppm1 2.635 ppm2 1.732 CV 1 OR { 1707} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1709} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HD1 )) 4.300 2.300 1.700 peak 1709 spectrum 1 weight 0.10000E+01 volume 0.41661E-03 ppm1 2.765 ppm2 1.626 CV 1 OR { 1709} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1710} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HD1 )) 3.700 1.700 1.700 peak 1710 spectrum 1 weight 0.10000E+01 volume 0.44127E-03 ppm1 2.638 ppm2 1.626 CV 1 OR { 1710} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1711} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB1 )) 2.400 0.700 0.700 peak 1711 spectrum 1 weight 0.10000E+01 volume 0.26349E-02 ppm1 4.020 ppm2 1.583 CV 1 ASSI { 1712} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HB2 )) 2.400 0.700 0.700 peak 1712 spectrum 1 weight 0.10000E+01 volume 0.72051E-02 ppm1 4.021 ppm2 1.479 CV 1 ASSI { 1713} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HD1%) 3.100 1.200 1.200 peak 1713 spectrum 1 weight 0.10000E+01 volume 0.31125E-02 ppm1 4.024 ppm2 0.577 CV 1 ASSI { 1714} (( segid " " and resid 9 and name HA )) ( segid " " and resid 9 and name HD2%) 2.700 0.900 0.900 peak 1714 spectrum 1 weight 0.10000E+01 volume 0.27064E-02 ppm1 4.020 ppm2 0.702 CV 1 ASSI { 1717} (( segid " " and resid 9 and name HA )) (( segid " " and resid 9 and name HN )) 2.700 0.900 0.900 peak 1717 spectrum 1 weight 0.10000E+01 volume 0.21105E-02 ppm1 4.020 ppm2 8.473 CV 1 ASSI { 1719} (( segid " " and resid 9 and name HA )) (( segid " " and resid 12 and name HN )) 3.200 1.300 1.300 peak 1719 spectrum 1 weight 0.10000E+01 volume 0.87852E-03 ppm1 4.020 ppm2 8.147 CV 1 ASSI { 1724} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.300 1.400 1.400 peak 1724 spectrum 1 weight 0.10000E+01 volume 0.19469E-02 ppm1 1.586 ppm2 8.474 CV 1 ASSI { 1725} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 9 and name HN )) 2.400 0.700 0.700 peak 1725 spectrum 1 weight 0.10000E+01 volume 0.19268E-02 ppm1 1.500 ppm2 8.473 CV 1 ASSI { 1726} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 9 and name HD1%) 2.700 0.900 0.900 peak 1726 spectrum 1 weight 0.10000E+01 volume 0.20607E-02 ppm1 1.583 ppm2 0.577 CV 1 ASSI { 1727} (( segid " " and resid 9 and name HB1 )) ( segid " " and resid 9 and name HD2%) 2.900 1.000 1.000 peak 1727 spectrum 1 weight 0.10000E+01 volume 0.15503E-02 ppm1 1.584 ppm2 0.704 CV 1 ASSI { 1728} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD2%) 3.200 1.300 1.300 peak 1728 spectrum 1 weight 0.10000E+01 volume 0.17447E-02 ppm1 1.497 ppm2 0.705 CV 1 ASSI { 1731} (( segid " " and resid 9 and name HB2 )) ( segid " " and resid 9 and name HD1%) 3.000 1.100 1.100 peak 1731 spectrum 1 weight 0.10000E+01 volume 0.13373E-02 ppm1 1.497 ppm2 0.576 CV 1 ASSI { 1761} (( segid " " and resid 10 and name HA )) ( segid " " and resid 10 and name HG1%) 2.300 0.700 0.700 peak 1761 spectrum 1 weight 0.10000E+01 volume 0.51211E-02 ppm1 3.320 ppm2 0.847 CV 1 ASSI { 1762} (( segid " " and resid 10 and name HA )) ( segid " " and resid 13 and name HG1%) 4.000 2.000 2.000 peak 1762 spectrum 1 weight 0.10000E+01 volume 0.11378E-02 ppm1 3.322 ppm2 0.777 CV 1 ASSI { 1763} (( segid " " and resid 10 and name HA )) ( segid " " and resid 9 and name HD2%) 3.900 1.900 1.900 peak 1763 spectrum 1 weight 0.10000E+01 volume 0.14044E-02 ppm1 3.317 ppm2 0.683 CV 1 ASSI { 1771} (( segid " " and resid 10 and name HA )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 1771 spectrum 1 weight 0.10000E+01 volume 0.21471E-02 ppm1 3.320 ppm2 7.904 CV 1 ASSI { 1773} (( segid " " and resid 10 and name HA )) (( segid " " and resid 14 and name HN )) 3.200 1.200 1.200 peak 1773 spectrum 1 weight 0.10000E+01 volume 0.63893E-03 ppm1 3.322 ppm2 8.819 CV 1 ASSI { 1776} (( segid " " and resid 10 and name HA )) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.500 peak 1776 spectrum 1 weight 0.10000E+01 volume 0.69115E-03 ppm1 3.319 ppm2 7.786 CV 1 ASSI { 1777} (( segid " " and resid 10 and name HB )) (( segid " " and resid 10 and name HN )) 2.400 0.700 0.700 peak 1777 spectrum 1 weight 0.10000E+01 volume 0.36484E-02 ppm1 2.138 ppm2 7.905 CV 1 ASSI { 1779} (( segid " " and resid 10 and name HB )) (( segid " " and resid 11 and name HN )) 2.500 0.800 0.800 peak 1779 spectrum 1 weight 0.10000E+01 volume 0.23529E-02 ppm1 2.139 ppm2 7.785 CV 1 ASSI { 1784} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HB )) 2.100 0.500 0.500 peak 1784 spectrum 1 weight 0.10000E+01 volume 0.84211E-02 ppm1 0.846 ppm2 2.140 CV 1 ASSI { 1789} ( segid " " and resid 10 and name HG1%) ( segid " " and resid 14 and name HB% ) 2.700 0.900 0.900 peak 1789 spectrum 1 weight 0.10000E+01 volume 0.19748E-02 ppm1 0.846 ppm2 1.426 CV 1 ASSI { 1793} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 14 and name HN )) 3.800 1.800 1.800 peak 1793 spectrum 1 weight 0.10000E+01 volume 0.66259E-03 ppm1 0.846 ppm2 8.817 CV 1 ASSI { 1794} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 10 and name HN )) 3.600 1.700 1.700 peak 1794 spectrum 1 weight 0.10000E+01 volume 0.23284E-02 ppm1 0.846 ppm2 7.904 CV 1 ASSI { 1796} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 11 and name HN )) 3.400 1.400 1.400 peak 1796 spectrum 1 weight 0.10000E+01 volume 0.16725E-02 ppm1 0.846 ppm2 7.784 CV 1 ASSI { 1797} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HA )) 2.200 0.600 0.600 peak 1797 spectrum 1 weight 0.10000E+01 volume 0.62003E-02 ppm1 0.938 ppm2 3.321 CV 1 ASSI { 1799} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HG1 )) 3.500 1.600 1.600 peak 1799 spectrum 1 weight 0.10000E+01 volume 0.18175E-02 ppm1 0.938 ppm2 2.435 CV 1 ASSI { 1801} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HB )) 2.100 0.500 0.500 peak 1801 spectrum 1 weight 0.10000E+01 volume 0.76757E-02 ppm1 0.939 ppm2 2.139 CV 1 ASSI { 1802} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 68 and name HB1 )) 4.200 2.300 1.800 peak 1802 spectrum 1 weight 0.10000E+01 volume 0.71817E-03 ppm1 0.940 ppm2 1.856 CV 1 OR { 1802} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 68 and name HB2 )) ASSI { 1803} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 69 and name HB1 )) 2.900 1.000 1.000 peak 1803 spectrum 1 weight 0.10000E+01 volume 0.25407E-02 ppm1 0.939 ppm2 2.032 CV 1 ASSI { 1806} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HB1 )) 4.500 2.500 1.500 peak 1806 spectrum 1 weight 0.10000E+01 volume 0.57132E-03 ppm1 0.942 ppm2 1.583 CV 1 ASSI { 1808} ( segid " " and resid 10 and name HG2%) ( segid " " and resid 9 and name HD1%) 4.300 2.400 1.700 peak 1808 spectrum 1 weight 0.10000E+01 volume 0.78632E-03 ppm1 0.941 ppm2 0.576 CV 1 ASSI { 1809} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 10 and name HN )) 2.000 0.500 0.500 peak 1809 spectrum 1 weight 0.10000E+01 volume 0.74745E-02 ppm1 0.939 ppm2 7.905 CV 1 ASSI { 1811} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name HN )) 4.000 2.000 2.000 peak 1811 spectrum 1 weight 0.10000E+01 volume 0.11594E-02 ppm1 0.939 ppm2 7.785 CV 1 ASSI { 1812} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HN )) 3.000 1.100 1.100 peak 1812 spectrum 1 weight 0.10000E+01 volume 0.13285E-02 ppm1 0.939 ppm2 8.324 CV 1 ASSI { 1813} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HA )) 3.600 1.600 1.600 peak 1813 spectrum 1 weight 0.10000E+01 volume 0.24001E-02 ppm1 0.939 ppm2 4.038 CV 1 ASSI { 1822} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 11 and name HA )) 4.700 2.800 1.300 peak 1822 spectrum 1 weight 0.10000E+01 volume 0.52102E-03 ppm1 0.940 ppm2 3.797 CV 1 ASSI { 1825} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HB2 )) 3.500 1.600 1.600 peak 1825 spectrum 1 weight 0.10000E+01 volume 0.74730E-03 ppm1 0.942 ppm2 1.477 CV 1 ASSI { 1830} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE2 )) 5.300 3.500 0.700 peak 1830 spectrum 1 weight 0.10000E+01 volume 0.29075E-03 ppm1 1.730 ppm2 2.945 CV 1 OR { 1830} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE1 )) OR { 1830} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HE1 )) OR { 1830} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HE2 )) ASSI { 1832} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HG12)) 2.200 0.600 0.600 peak 1832 spectrum 1 weight 0.10000E+01 volume 0.70944E-02 ppm1 0.791 ppm2 1.108 CV 1 ASSI { 1833} ( segid " " and resid 47 and name HD1%) ( segid " " and resid 12 and name HB% ) 2.400 0.700 0.700 peak 1833 spectrum 1 weight 0.10000E+01 volume 0.52990E-02 ppm1 0.790 ppm2 1.476 CV 1 ASSI { 1835} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HN )) 3.600 1.600 1.600 peak 1835 spectrum 1 weight 0.10000E+01 volume 0.19224E-02 ppm1 0.791 ppm2 7.945 CV 1 ASSI { 1836} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 48 and name HN )) 2.600 2.600 3.400 peak 1836 spectrum 1 weight 0.10000E+01 volume 0.95716E-03 ppm1 0.790 ppm2 8.136 CV 1 ASSI { 1837} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 44 and name HA )) 2.400 0.700 0.700 peak 1837 spectrum 1 weight 0.10000E+01 volume 0.43206E-02 ppm1 0.787 ppm2 3.457 CV 1 ASSI { 1838} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HB )) 2.300 0.700 0.700 peak 1838 spectrum 1 weight 0.10000E+01 volume 0.57756E-02 ppm1 0.790 ppm2 1.888 CV 1 ASSI { 1839} ( segid " " and resid 47 and name HD1%) (( segid " " and resid 47 and name HG11)) 2.100 0.500 0.500 peak 1839 spectrum 1 weight 0.10000E+01 volume 0.99417E-02 ppm1 0.787 ppm2 1.807 CV 1 ASSI { 1840} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 48 and name HN )) 3.200 1.300 1.300 peak 1840 spectrum 1 weight 0.10000E+01 volume 0.21708E-02 ppm1 0.873 ppm2 8.137 CV 1 ASSI { 1841} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HN )) 3.500 1.500 1.500 peak 1841 spectrum 1 weight 0.10000E+01 volume 0.24498E-02 ppm1 0.873 ppm2 7.947 CV 1 ASSI { 1842} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 6 and name HE21)) 3.200 1.200 1.200 peak 1842 spectrum 1 weight 0.10000E+01 volume 0.19398E-02 ppm1 0.872 ppm2 6.779 CV 1 ASSI { 1843} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HG11)) 3.300 1.400 1.400 peak 1843 spectrum 1 weight 0.10000E+01 volume 0.35252E-02 ppm1 0.876 ppm2 1.810 CV 1 ASSI { 1845} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 47 and name HG12)) 2.500 0.800 0.800 peak 1845 spectrum 1 weight 0.10000E+01 volume 0.34736E-02 ppm1 0.873 ppm2 1.107 CV 1 ASSI { 1846} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 9 and name HD1%) 3.000 1.100 1.100 peak 1846 spectrum 1 weight 0.10000E+01 volume 0.22912E-02 ppm1 0.873 ppm2 0.577 CV 1 ASSI { 1847} ( segid " " and resid 47 and name HG2%) ( segid " " and resid 48 and name HD1%) 2.500 0.800 0.800 peak 1847 spectrum 1 weight 0.10000E+01 volume 0.65105E-02 ppm1 0.873 ppm2 0.698 CV 1 ASSI { 1850} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 44 and name HA )) 4.400 2.400 1.600 peak 1850 spectrum 1 weight 0.10000E+01 volume 0.97651E-03 ppm1 0.875 ppm2 3.454 CV 1 ASSI { 1851} ( segid " " and resid 47 and name HG2%) (( segid " " and resid 9 and name HB2 )) 2.600 2.600 3.400 peak 1851 spectrum 1 weight 0.10000E+01 volume 0.92276E-03 ppm1 0.876 ppm2 1.475 CV 1 ASSI { 1853} (( segid " " and resid 16 and name HG11)) ( segid " " and resid 16 and name HD1%) 2.300 0.700 0.700 peak 1853 spectrum 1 weight 0.10000E+01 volume 0.48329E-02 ppm1 1.780 ppm2 0.773 CV 1 ASSI { 1857} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 16 and name HA )) 3.400 1.400 1.400 peak 1857 spectrum 1 weight 0.10000E+01 volume 0.30489E-02 ppm1 1.777 ppm2 3.582 CV 1 ASSI { 1860} (( segid " " and resid 16 and name HG11)) (( segid " " and resid 16 and name HN )) 3.700 1.700 1.700 peak 1860 spectrum 1 weight 0.10000E+01 volume 0.25938E-02 ppm1 1.778 ppm2 7.598 CV 1 ASSI { 1861} (( segid " " and resid 9 and name HA )) (( segid " " and resid 8 and name HA )) 4.400 2.400 1.600 peak 1861 spectrum 1 weight 0.10000E+01 volume 0.46238E-03 ppm1 4.016 ppm2 4.577 CV 1 ASSI { 1862} (( segid " " and resid 9 and name HB1 )) (( segid " " and resid 8 and name HA )) 5.700 4.000 0.300 peak 1862 spectrum 1 weight 0.10000E+01 volume 0.34457E-03 ppm1 1.583 ppm2 4.579 CV 1 ASSI { 1863} (( segid " " and resid 9 and name HB2 )) (( segid " " and resid 8 and name HA )) 6.000 4.800 0.000 peak 1863 spectrum 1 weight 0.10000E+01 volume 0.90095E-04 ppm1 1.497 ppm2 4.578 CV 1 ASSI { 1864} (( segid " " and resid 85 and name HA )) (( segid " " and resid 85 and name HB1 )) 3.000 1.100 1.100 peak 1864 spectrum 1 weight 0.10000E+01 volume 0.10713E-02 ppm1 4.382 ppm2 2.265 CV 1 ASSI { 1867} (( segid " " and resid 85 and name HD1 )) (( segid " " and resid 85 and name HB1 )) 4.200 2.200 1.800 peak 1867 spectrum 1 weight 0.10000E+01 volume 0.57195E-03 ppm1 3.758 ppm2 2.265 CV 1 ASSI { 1868} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HB1 )) 4.700 2.800 1.300 peak 1868 spectrum 1 weight 0.10000E+01 volume 0.41802E-03 ppm1 3.590 ppm2 2.258 CV 1 ASSI { 1869} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HG2 )) 2.700 0.900 0.900 peak 1869 spectrum 1 weight 0.10000E+01 volume 0.26290E-02 ppm1 3.596 ppm2 1.996 CV 1 OR { 1869} (( segid " " and resid 85 and name HD2 )) (( segid " " and resid 85 and name HG1 )) ASSI { 1870} (( segid " " and resid 85 and name HD1 )) (( segid " " and resid 85 and name HG1 )) 2.500 0.800 0.800 peak 1870 spectrum 1 weight 0.10000E+01 volume 0.37714E-02 ppm1 3.760 ppm2 1.994 CV 1 OR { 1870} (( segid " " and resid 85 and name HD1 )) (( segid " " and resid 85 and name HG2 )) ASSI { 1885} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HA )) 2.200 0.600 0.600 peak 1885 spectrum 1 weight 0.10000E+01 volume 0.41319E-02 ppm1 2.407 ppm2 4.593 CV 1 ASSI { 1887} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HD2 )) 3.800 1.800 1.800 peak 1887 spectrum 1 weight 0.10000E+01 volume 0.11604E-02 ppm1 2.405 ppm2 3.549 CV 1 ASSI { 1890} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HD1 )) 3.900 1.900 1.900 peak 1890 spectrum 1 weight 0.10000E+01 volume 0.10704E-02 ppm1 2.407 ppm2 3.827 CV 1 ASSI { 1893} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 57 and name HG1 )) 2.100 0.600 0.600 peak 1893 spectrum 1 weight 0.10000E+01 volume 0.41478E-02 ppm1 2.407 ppm2 2.078 CV 1 ASSI { 1898} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 60 and name HN )) 4.400 2.500 1.600 peak 1898 spectrum 1 weight 0.10000E+01 volume 0.72621E-03 ppm1 2.407 ppm2 7.162 CV 1 ASSI { 1899} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HN )) 4.500 2.600 1.500 peak 1899 spectrum 1 weight 0.10000E+01 volume 0.56448E-03 ppm1 2.407 ppm2 8.590 CV 1 ASSI { 1901} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HG2 )) 5.600 4.000 0.400 peak 1901 spectrum 1 weight 0.10000E+01 volume 0.44295E-03 ppm1 2.405 ppm2 1.489 CV 1 ASSI { 1906} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 56 and name HA )) 1.800 0.400 0.400 peak 1906 spectrum 1 weight 0.10000E+01 volume 0.66508E-02 ppm1 3.832 ppm2 4.917 CV 1 ASSI { 1907} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 56 and name HA )) 2.500 0.800 0.800 peak 1907 spectrum 1 weight 0.10000E+01 volume 0.53140E-02 ppm1 3.547 ppm2 4.918 CV 1 ASSI { 1908} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 56 and name HA )) 4.400 2.400 1.600 peak 1908 spectrum 1 weight 0.10000E+01 volume 0.92402E-03 ppm1 2.078 ppm2 4.916 CV 1 ASSI { 1909} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 56 and name HA )) 4.900 3.000 1.100 peak 1909 spectrum 1 weight 0.10000E+01 volume 0.80248E-03 ppm1 1.934 ppm2 4.916 CV 1 ASSI { 1910} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 57 and name HA )) 3.500 1.500 1.500 peak 1910 spectrum 1 weight 0.10000E+01 volume 0.99927E-03 ppm1 2.076 ppm2 4.596 CV 1 ASSI { 1911} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HA )) 4.400 2.400 1.600 peak 1911 spectrum 1 weight 0.10000E+01 volume 0.67873E-03 ppm1 1.933 ppm2 4.595 CV 1 ASSI { 1912} (( segid " " and resid 57 and name HG1 )) ( segid " " and resid 56 and name HD2%) 5.000 3.200 1.000 peak 1912 spectrum 1 weight 0.10000E+01 volume 0.66478E-03 ppm1 2.085 ppm2 0.848 CV 1 ASSI { 1914} (( segid " " and resid 57 and name HG2 )) ( segid " " and resid 56 and name HD2%) 5.000 3.200 1.000 peak 1914 spectrum 1 weight 0.10000E+01 volume 0.78911E-03 ppm1 1.947 ppm2 0.848 CV 1 ASSI { 1915} (( segid " " and resid 57 and name HG2 )) ( segid " " and resid 55 and name HG1%) 4.500 2.600 1.500 peak 1915 spectrum 1 weight 0.10000E+01 volume 0.53656E-03 ppm1 1.947 ppm2 0.746 CV 1 ASSI { 1916} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HB1 )) 2.700 0.900 0.900 peak 1916 spectrum 1 weight 0.10000E+01 volume 0.26263E-02 ppm1 1.934 ppm2 2.408 CV 1 ASSI { 1922} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 60 and name HG1 )) 4.800 2.900 1.200 peak 1922 spectrum 1 weight 0.10000E+01 volume 0.66235E-03 ppm1 2.080 ppm2 2.232 CV 1 OR { 1922} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 60 and name HG2 )) ASSI { 1925} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 57 and name HD1 )) 2.600 0.800 0.800 peak 1925 spectrum 1 weight 0.10000E+01 volume 0.35195E-02 ppm1 1.939 ppm2 3.830 CV 1 ASSI { 1927} (( segid " " and resid 57 and name HG1 )) (( segid " " and resid 60 and name HN )) 4.400 2.400 1.600 peak 1927 spectrum 1 weight 0.10000E+01 volume 0.84004E-03 ppm1 2.077 ppm2 7.163 CV 1 ASSI { 1928} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 60 and name HN )) 3.800 1.800 1.800 peak 1928 spectrum 1 weight 0.10000E+01 volume 0.99630E-03 ppm1 1.934 ppm2 7.163 CV 1 ASSI { 1929} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 60 and name HG1 )) 4.400 2.400 1.600 peak 1929 spectrum 1 weight 0.10000E+01 volume 0.66289E-03 ppm1 3.836 ppm2 2.225 CV 1 OR { 1929} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 60 and name HG2 )) ASSI { 1930} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HG1 )) 2.200 0.600 0.600 peak 1930 spectrum 1 weight 0.10000E+01 volume 0.38986E-02 ppm1 3.832 ppm2 2.078 CV 1 ASSI { 1934} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HG2 )) 2.100 0.600 0.600 peak 1934 spectrum 1 weight 0.10000E+01 volume 0.47189E-02 ppm1 3.546 ppm2 1.933 CV 1 ASSI { 1935} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HG1 )) 2.900 1.000 1.000 peak 1935 spectrum 1 weight 0.10000E+01 volume 0.37246E-02 ppm1 3.546 ppm2 2.080 CV 1 ASSI { 1936} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 60 and name HG1 )) 3.000 1.100 1.100 peak 1936 spectrum 1 weight 0.10000E+01 volume 0.11462E-02 ppm1 3.547 ppm2 2.229 CV 1 OR { 1936} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 60 and name HG2 )) ASSI { 1939} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 56 and name HB2 )) 4.200 2.200 1.800 peak 1939 spectrum 1 weight 0.10000E+01 volume 0.13229E-02 ppm1 3.832 ppm2 1.345 CV 1 ASSI { 1940} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 56 and name HB2 )) 4.100 2.100 1.900 peak 1940 spectrum 1 weight 0.10000E+01 volume 0.15312E-02 ppm1 3.545 ppm2 1.343 CV 1 ASSI { 1941} (( segid " " and resid 57 and name HD1 )) ( segid " " and resid 56 and name HD2%) 3.700 1.700 1.700 peak 1941 spectrum 1 weight 0.10000E+01 volume 0.19319E-02 ppm1 3.832 ppm2 0.845 CV 1 ASSI { 1942} (( segid " " and resid 57 and name HD2 )) ( segid " " and resid 56 and name HD2%) 3.800 1.800 1.800 peak 1942 spectrum 1 weight 0.10000E+01 volume 0.22873E-02 ppm1 3.547 ppm2 0.847 CV 1 ASSI { 1943} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 57 and name HA )) 3.900 1.900 1.900 peak 1943 spectrum 1 weight 0.10000E+01 volume 0.53959E-03 ppm1 3.830 ppm2 4.599 CV 1 ASSI { 1944} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 57 and name HA )) 4.100 2.100 1.900 peak 1944 spectrum 1 weight 0.10000E+01 volume 0.42102E-03 ppm1 3.546 ppm2 4.598 CV 1 ASSI { 1951} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB1 )) 2.100 0.600 0.600 peak 1951 spectrum 1 weight 0.10000E+01 volume 0.10435E-01 ppm1 1.993 ppm2 2.261 CV 1 OR { 1951} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB1 )) ASSI { 1952} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HB2 )) 2.200 0.600 0.600 peak 1952 spectrum 1 weight 0.10000E+01 volume 0.87939E-02 ppm1 1.993 ppm2 1.867 CV 1 OR { 1952} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HB2 )) ASSI { 1953} (( segid " " and resid 85 and name HG2 )) (( segid " " and resid 85 and name HA )) 4.400 2.400 1.600 peak 1953 spectrum 1 weight 0.10000E+01 volume 0.47879E-03 ppm1 1.994 ppm2 4.382 CV 1 OR { 1953} (( segid " " and resid 85 and name HG1 )) (( segid " " and resid 85 and name HA )) ASSI { 1961} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HA )) 3.200 1.300 1.300 peak 1961 spectrum 1 weight 0.10000E+01 volume 0.10398E-02 ppm1 1.477 ppm2 3.790 CV 1 ASSI { 1962} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HA )) 3.300 1.300 1.300 peak 1962 spectrum 1 weight 0.10000E+01 volume 0.19643E-02 ppm1 1.250 ppm2 3.789 CV 1 ASSI { 1963} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HN )) 3.500 1.500 1.500 peak 1963 spectrum 1 weight 0.10000E+01 volume 0.13602E-02 ppm1 1.480 ppm2 7.785 CV 1 ASSI { 1964} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HN )) 3.200 1.200 1.200 peak 1964 spectrum 1 weight 0.10000E+01 volume 0.11519E-02 ppm1 1.251 ppm2 7.784 CV 1 ASSI { 1965} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB1 )) 2.400 0.700 0.700 peak 1965 spectrum 1 weight 0.10000E+01 volume 0.40594E-02 ppm1 1.250 ppm2 1.725 CV 1 OR { 1965} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HB2 )) ASSI { 1966} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD1 )) 2.500 0.800 0.800 peak 1966 spectrum 1 weight 0.10000E+01 volume 0.36349E-02 ppm1 1.250 ppm2 1.643 CV 1 OR { 1966} (( segid " " and resid 11 and name HG2 )) (( segid " " and resid 11 and name HD2 )) ASSI { 1970} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE2 )) 3.600 1.600 1.600 peak 1970 spectrum 1 weight 0.10000E+01 volume 0.65392E-03 ppm1 1.486 ppm2 2.941 CV 1 OR { 1970} (( segid " " and resid 11 and name HG1 )) (( segid " " and resid 11 and name HE1 )) ASSI { 1971} (( segid " " and resid 11 and name HA )) (( segid " " and resid 14 and name HN )) 3.600 1.600 1.600 peak 1971 spectrum 1 weight 0.10000E+01 volume 0.85713E-03 ppm1 3.792 ppm2 8.822 CV 1 ASSI { 1972} (( segid " " and resid 11 and name HA )) (( segid " " and resid 12 and name HN )) 3.500 1.600 1.600 peak 1972 spectrum 1 weight 0.10000E+01 volume 0.42573E-03 ppm1 3.796 ppm2 8.147 CV 1 ASSI { 1973} (( segid " " and resid 11 and name HA )) (( segid " " and resid 11 and name HN )) 2.900 1.000 1.000 peak 1973 spectrum 1 weight 0.10000E+01 volume 0.16451E-02 ppm1 3.790 ppm2 7.786 CV 1 ASSI { 1975} (( segid " " and resid 20 and name HD1 )) (( segid " " and resid 20 and name HN )) 3.100 3.100 2.900 peak 1975 spectrum 1 weight 0.10000E+01 volume 0.30045E-03 ppm1 3.136 ppm2 8.566 CV 1 OR { 1975} (( segid " " and resid 20 and name HD2 )) (( segid " " and resid 20 and name HN )) ASSI { 1980} (( segid " " and resid 21 and name HB1 )) (( segid " " and resid 23 and name HN )) 3.700 1.700 1.700 peak 1980 spectrum 1 weight 0.10000E+01 volume 0.33455E-03 ppm1 2.677 ppm2 8.211 CV 1 ASSI { 1981} (( segid " " and resid 21 and name HB2 )) (( segid " " and resid 23 and name HN )) 4.700 2.800 1.300 peak 1981 spectrum 1 weight 0.10000E+01 volume 0.27488E-03 ppm1 2.490 ppm2 8.212 CV 1 ASSI { 1989} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HB )) 5.700 4.100 0.300 peak 1989 spectrum 1 weight 0.10000E+01 volume 0.22319E-03 ppm1 0.746 ppm2 1.888 CV 1 ASSI { 1992} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 27 and name HN )) 3.800 1.800 1.800 peak 1992 spectrum 1 weight 0.10000E+01 volume 0.91970E-03 ppm1 1.670 ppm2 8.901 CV 1 ASSI { 1993} (( segid " " and resid 27 and name HB1 )) (( segid " " and resid 26 and name HA )) 6.000 4.400 0.000 peak 1993 spectrum 1 weight 0.10000E+01 volume 0.25987E-03 ppm1 1.670 ppm2 4.603 CV 1 ASSI { 1996} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HB1 )) 2.400 0.700 0.700 peak 1996 spectrum 1 weight 0.10000E+01 volume 0.42096E-02 ppm1 0.868 ppm2 1.674 CV 1 ASSI { 1997} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HB1 )) 3.000 1.100 1.100 peak 1997 spectrum 1 weight 0.10000E+01 volume 0.20488E-02 ppm1 0.707 ppm2 1.676 CV 1 ASSI { 1999} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HG )) 2.400 0.700 0.700 peak 1999 spectrum 1 weight 0.10000E+01 volume 0.45911E-02 ppm1 0.707 ppm2 1.784 CV 1 ASSI { 2001} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 67 and name HA )) 4.400 2.400 1.600 peak 2001 spectrum 1 weight 0.10000E+01 volume 0.87969E-03 ppm1 0.706 ppm2 3.803 CV 1 ASSI { 2002} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 2002 spectrum 1 weight 0.10000E+01 volume 0.12853E-02 ppm1 0.868 ppm2 4.040 CV 1 ASSI { 2004} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HA )) 3.400 1.400 1.400 peak 2004 spectrum 1 weight 0.10000E+01 volume 0.44997E-02 ppm1 0.707 ppm2 4.039 CV 1 ASSI { 2006} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 25 and name HN )) 2.900 2.900 3.100 peak 2006 spectrum 1 weight 0.10000E+01 volume 0.51553E-03 ppm1 0.706 ppm2 7.344 CV 1 ASSI { 2007} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 70 and name HE21)) 4.400 2.400 1.600 peak 2007 spectrum 1 weight 0.10000E+01 volume 0.75980E-03 ppm1 0.868 ppm2 6.603 CV 1 ASSI { 2008} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 25 and name HN )) 2.900 2.900 3.100 peak 2008 spectrum 1 weight 0.10000E+01 volume 0.47210E-03 ppm1 0.868 ppm2 7.339 CV 1 ASSI { 2009} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HN )) 3.800 1.800 1.800 peak 2009 spectrum 1 weight 0.10000E+01 volume 0.11141E-02 ppm1 0.867 ppm2 8.902 CV 1 ASSI { 2010} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HN )) 3.700 1.700 1.700 peak 2010 spectrum 1 weight 0.10000E+01 volume 0.17670E-02 ppm1 0.707 ppm2 8.905 CV 1 ASSI { 2011} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 28 and name HN )) 5.300 3.500 0.700 peak 2011 spectrum 1 weight 0.10000E+01 volume 0.28814E-03 ppm1 0.707 ppm2 8.333 CV 1 ASSI { 2013} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HG )) 2.600 0.900 0.900 peak 2013 spectrum 1 weight 0.10000E+01 volume 0.20259E-02 ppm1 0.868 ppm2 1.783 CV 1 ASSI { 2014} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 27 and name HB2 )) 2.600 0.800 0.800 peak 2014 spectrum 1 weight 0.10000E+01 volume 0.36418E-02 ppm1 0.706 ppm2 1.307 CV 1 ASSI { 2015} ( segid " " and resid 27 and name HD2%) (( segid " " and resid 27 and name HB2 )) 3.400 1.400 1.400 peak 2015 spectrum 1 weight 0.10000E+01 volume 0.23859E-02 ppm1 0.867 ppm2 1.304 CV 1 ASSI { 2018} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HN )) 2.600 0.900 0.900 peak 2018 spectrum 1 weight 0.10000E+01 volume 0.19411E-02 ppm1 1.785 ppm2 8.898 CV 1 ASSI { 2019} (( segid " " and resid 27 and name HG )) (( segid " " and resid 26 and name HA )) 4.400 2.400 1.600 peak 2019 spectrum 1 weight 0.10000E+01 volume 0.39664E-03 ppm1 1.784 ppm2 4.605 CV 1 ASSI { 2020} (( segid " " and resid 27 and name HG )) (( segid " " and resid 27 and name HB2 )) 2.800 1.000 1.000 peak 2020 spectrum 1 weight 0.10000E+01 volume 0.16668E-02 ppm1 1.779 ppm2 1.307 CV 1 ASSI { 2021} (( segid " " and resid 29 and name HA )) (( segid " " and resid 30 and name HN )) 2.100 0.600 0.600 peak 2021 spectrum 1 weight 0.10000E+01 volume 0.82042E-02 ppm1 4.525 ppm2 9.193 CV 1 ASSI { 2022} (( segid " " and resid 29 and name HA )) (( segid " " and resid 29 and name HN )) 2.800 1.000 1.000 peak 2022 spectrum 1 weight 0.10000E+01 volume 0.21260E-02 ppm1 4.527 ppm2 7.361 CV 1 ASSI { 2024} (( segid " " and resid 30 and name HB1 )) ( segid " " and resid 65 and name HG2%) 4.600 2.600 1.400 peak 2024 spectrum 1 weight 0.10000E+01 volume 0.39352E-03 ppm1 4.482 ppm2 0.968 CV 1 ASSI { 2025} (( segid " " and resid 30 and name HB2 )) ( segid " " and resid 65 and name HG2%) 4.300 2.300 1.700 peak 2025 spectrum 1 weight 0.10000E+01 volume 0.75128E-03 ppm1 3.983 ppm2 0.968 CV 1 ASSI { 2027} (( segid " " and resid 31 and name HA )) (( segid " " and resid 32 and name HN )) 3.600 1.600 1.600 peak 2027 spectrum 1 weight 0.10000E+01 volume 0.56178E-03 ppm1 3.886 ppm2 8.476 CV 1 ASSI { 2030} (( segid " " and resid 31 and name HB2 )) (( segid " " and resid 36 and name HB1 )) 4.200 2.200 1.800 peak 2030 spectrum 1 weight 0.10000E+01 volume 0.51241E-03 ppm1 1.286 ppm2 1.440 CV 1 ASSI { 2032} (( segid " " and resid 31 and name HB1 )) (( segid " " and resid 36 and name HB1 )) 4.100 2.100 1.900 peak 2032 spectrum 1 weight 0.10000E+01 volume 0.18491E-03 ppm1 1.883 ppm2 1.434 CV 1 ASSI { 2033} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 62 and name HD1 )) 3.200 1.300 1.300 peak 2033 spectrum 1 weight 0.10000E+01 volume 0.63575E-03 ppm1 1.380 ppm2 3.135 CV 1 ASSI { 2035} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 30 and name HA )) 5.400 3.600 0.600 peak 2035 spectrum 1 weight 0.10000E+01 volume 0.26682E-03 ppm1 1.379 ppm2 4.646 CV 1 ASSI { 2036} ( segid " " and resid 32 and name HB% ) ( segid " " and resid 31 and name HD2%) 5.900 4.300 0.100 peak 2036 spectrum 1 weight 0.10000E+01 volume 0.11707E-03 ppm1 1.383 ppm2 0.864 CV 1 ASSI { 2042} (( segid " " and resid 33 and name HA )) ( segid " " and resid 32 and name HB% ) 4.500 2.500 1.500 peak 2042 spectrum 1 weight 0.10000E+01 volume 0.25932E-03 ppm1 4.375 ppm2 1.385 CV 1 ASSI { 2045} (( segid " " and resid 33 and name HA )) ( segid " " and resid 34 and name HD2%) 5.300 3.500 0.700 peak 2045 spectrum 1 weight 0.10000E+01 volume 0.20124E-03 ppm1 4.369 ppm2 0.868 CV 1 ASSI { 2046} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 29 and name HB2 )) 4.700 2.700 1.300 peak 2046 spectrum 1 weight 0.10000E+01 volume 0.48887E-03 ppm1 3.035 ppm2 3.765 CV 1 ASSI { 2047} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 29 and name HB2 )) 5.500 3.800 0.500 peak 2047 spectrum 1 weight 0.10000E+01 volume 0.35078E-03 ppm1 2.671 ppm2 3.764 CV 1 ASSI { 2048} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HA )) 3.000 1.100 1.100 peak 2048 spectrum 1 weight 0.10000E+01 volume 0.24736E-02 ppm1 3.028 ppm2 4.372 CV 1 ASSI { 2049} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HA )) 2.700 0.900 0.900 peak 2049 spectrum 1 weight 0.10000E+01 volume 0.32576E-02 ppm1 2.675 ppm2 4.370 CV 1 ASSI { 2054} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 35 and name HN )) 4.200 2.200 1.800 peak 2054 spectrum 1 weight 0.10000E+01 volume 0.85233E-03 ppm1 3.028 ppm2 7.580 CV 1 ASSI { 2055} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 35 and name HN )) 4.400 2.400 1.600 peak 2055 spectrum 1 weight 0.10000E+01 volume 0.95065E-03 ppm1 2.676 ppm2 7.580 CV 1 ASSI { 2056} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 33 and name HN )) 2.600 0.900 0.900 peak 2056 spectrum 1 weight 0.10000E+01 volume 0.23901E-02 ppm1 2.676 ppm2 8.072 CV 1 ASSI { 2057} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 33 and name HN )) 2.900 1.100 1.100 peak 2057 spectrum 1 weight 0.10000E+01 volume 0.24477E-02 ppm1 3.031 ppm2 8.072 CV 1 ASSI { 2058} (( segid " " and resid 33 and name HA )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 2058 spectrum 1 weight 0.10000E+01 volume 0.24710E-02 ppm1 4.373 ppm2 8.074 CV 1 ASSI { 2059} (( segid " " and resid 33 and name HA )) (( segid " " and resid 35 and name HN )) 4.100 2.100 1.900 peak 2059 spectrum 1 weight 0.10000E+01 volume 0.48149E-03 ppm1 4.370 ppm2 7.581 CV 1 ASSI { 2060} (( segid " " and resid 33 and name HB1 )) (( segid " " and resid 30 and name HN )) 3.300 1.300 1.300 peak 2060 spectrum 1 weight 0.10000E+01 volume 0.13222E-02 ppm1 3.028 ppm2 9.193 CV 1 ASSI { 2061} (( segid " " and resid 33 and name HB2 )) (( segid " " and resid 30 and name HN )) 3.000 1.100 1.100 peak 2061 spectrum 1 weight 0.10000E+01 volume 0.12651E-02 ppm1 2.676 ppm2 9.193 CV 1 ASSI { 2065} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB2 )) 2.400 0.700 0.700 peak 2065 spectrum 1 weight 0.10000E+01 volume 0.59358E-02 ppm1 0.714 ppm2 1.658 CV 1 ASSI { 2071} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 31 and name HA )) 2.500 0.800 0.800 peak 2071 spectrum 1 weight 0.10000E+01 volume 0.41262E-02 ppm1 0.715 ppm2 3.876 CV 1 ASSI { 2072} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 29 and name HB2 )) 3.000 1.100 1.100 peak 2072 spectrum 1 weight 0.10000E+01 volume 0.13914E-02 ppm1 0.715 ppm2 3.760 CV 1 ASSI { 2073} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HA )) 3.100 1.200 1.200 peak 2073 spectrum 1 weight 0.10000E+01 volume 0.23561E-02 ppm1 0.714 ppm2 4.310 CV 1 ASSI { 2076} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 35 and name HN )) 3.400 1.500 1.500 peak 2076 spectrum 1 weight 0.10000E+01 volume 0.28272E-02 ppm1 0.714 ppm2 7.578 CV 1 ASSI { 2078} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 31 and name HN )) 3.200 1.300 1.300 peak 2078 spectrum 1 weight 0.10000E+01 volume 0.25572E-03 ppm1 0.718 ppm2 8.568 CV 1 ASSI { 2079} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 33 and name HN )) 4.400 2.400 1.600 peak 2079 spectrum 1 weight 0.10000E+01 volume 0.27311E-03 ppm1 0.714 ppm2 8.069 CV 1 ASSI { 2085} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 34 and name HB1 )) 3.300 1.400 1.400 peak 2085 spectrum 1 weight 0.10000E+01 volume 0.18716E-02 ppm1 0.718 ppm2 1.883 CV 1 ASSI { 2086} (( segid " " and resid 34 and name HG )) (( segid " " and resid 35 and name HN )) 4.100 2.100 1.900 peak 2086 spectrum 1 weight 0.10000E+01 volume 0.73809E-03 ppm1 1.744 ppm2 7.579 CV 1 ASSI { 2087} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 29 and name HN )) 3.800 1.800 1.800 peak 2087 spectrum 1 weight 0.10000E+01 volume 0.89951E-04 ppm1 0.717 ppm2 7.370 CV 1 ASSI { 2089} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 31 and name HA )) 2.700 0.900 0.900 peak 2089 spectrum 1 weight 0.10000E+01 volume 0.26214E-02 ppm1 0.860 ppm2 3.868 CV 1 ASSI { 2090} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 29 and name HB2 )) 2.800 1.000 1.000 peak 2090 spectrum 1 weight 0.10000E+01 volume 0.21231E-02 ppm1 0.860 ppm2 3.762 CV 1 ASSI { 2091} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 34 and name HA )) 2.600 0.800 0.800 peak 2091 spectrum 1 weight 0.10000E+01 volume 0.10302E-01 ppm1 0.860 ppm2 4.310 CV 1 ASSI { 2093} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 33 and name HB2 )) 3.000 1.100 1.100 peak 2093 spectrum 1 weight 0.10000E+01 volume 0.42732E-03 ppm1 0.859 ppm2 2.685 CV 1 ASSI { 2094} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 34 and name HB1 )) 2.700 0.900 0.900 peak 2094 spectrum 1 weight 0.10000E+01 volume 0.32411E-02 ppm1 0.860 ppm2 1.876 CV 1 ASSI { 2095} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 34 and name HG )) 2.400 0.700 0.700 peak 2095 spectrum 1 weight 0.10000E+01 volume 0.56289E-02 ppm1 0.860 ppm2 1.749 CV 1 ASSI { 2096} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 34 and name HB2 )) 2.700 0.900 0.900 peak 2096 spectrum 1 weight 0.10000E+01 volume 0.44871E-02 ppm1 0.859 ppm2 1.659 CV 1 ASSI { 2099} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 35 and name HN )) 2.300 2.300 3.700 peak 2099 spectrum 1 weight 0.10000E+01 volume 0.17653E-02 ppm1 0.860 ppm2 7.582 CV 1 ASSI { 2100} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 29 and name HN )) 3.100 3.100 2.900 peak 2100 spectrum 1 weight 0.10000E+01 volume 0.34595E-03 ppm1 0.860 ppm2 7.368 CV 1 ASSI { 2101} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 32 and name HN )) 2.800 2.800 3.200 peak 2101 spectrum 1 weight 0.10000E+01 volume 0.56745E-03 ppm1 0.860 ppm2 8.458 CV 1 ASSI { 2102} ( segid " " and resid 34 and name HD1%) (( segid " " and resid 32 and name HN )) 4.500 2.600 1.500 peak 2102 spectrum 1 weight 0.10000E+01 volume 0.24787E-03 ppm1 0.713 ppm2 8.467 CV 1 ASSI { 2103} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 33 and name HN )) 3.200 1.300 1.300 peak 2103 spectrum 1 weight 0.10000E+01 volume 0.26503E-03 ppm1 0.861 ppm2 8.064 CV 1 ASSI { 2105} (( segid " " and resid 35 and name HA1 )) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 2105 spectrum 1 weight 0.10000E+01 volume 0.86484E-03 ppm1 4.316 ppm2 7.700 CV 1 ASSI { 2106} (( segid " " and resid 35 and name HA2 )) (( segid " " and resid 36 and name HN )) 3.000 1.100 1.100 peak 2106 spectrum 1 weight 0.10000E+01 volume 0.12341E-02 ppm1 3.605 ppm2 7.698 CV 1 ASSI { 2107} (( segid " " and resid 35 and name HA1 )) (( segid " " and resid 35 and name HN )) 2.800 1.000 1.000 peak 2107 spectrum 1 weight 0.10000E+01 volume 0.41451E-02 ppm1 4.307 ppm2 7.612 CV 1 ASSI { 2108} (( segid " " and resid 35 and name HA2 )) (( segid " " and resid 35 and name HN )) 2.300 0.700 0.700 peak 2108 spectrum 1 weight 0.10000E+01 volume 0.53017E-02 ppm1 3.607 ppm2 7.611 CV 1 ASSI { 2114} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 36 and name HN )) 2.500 0.800 0.800 peak 2114 spectrum 1 weight 0.10000E+01 volume 0.17512E-02 ppm1 1.445 ppm2 7.697 CV 1 ASSI { 2115} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 36 and name HN )) 3.400 1.500 1.500 peak 2115 spectrum 1 weight 0.10000E+01 volume 0.15608E-02 ppm1 1.177 ppm2 7.697 CV 1 ASSI { 2116} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 35 and name HN )) 4.500 2.500 1.500 peak 2116 spectrum 1 weight 0.10000E+01 volume 0.32987E-03 ppm1 1.441 ppm2 7.608 CV 1 ASSI { 2117} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 35 and name HN )) 3.300 3.300 2.700 peak 2117 spectrum 1 weight 0.10000E+01 volume 0.23769E-03 ppm1 1.179 ppm2 7.608 CV 1 ASSI { 2119} (( segid " " and resid 36 and name HB1 )) (( segid " " and resid 40 and name HA )) 5.700 4.000 0.300 peak 2119 spectrum 1 weight 0.10000E+01 volume 0.52864E-03 ppm1 1.446 ppm2 4.078 CV 1 ASSI { 2120} (( segid " " and resid 36 and name HB2 )) (( segid " " and resid 40 and name HA )) 4.800 2.900 1.200 peak 2120 spectrum 1 weight 0.10000E+01 volume 0.55734E-03 ppm1 1.178 ppm2 4.078 CV 1 ASSI { 2123} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HN )) 2.800 1.000 1.000 peak 2123 spectrum 1 weight 0.10000E+01 volume 0.16735E-02 ppm1 4.151 ppm2 7.702 CV 1 ASSI { 2124} (( segid " " and resid 36 and name HA )) (( segid " " and resid 37 and name HN )) 2.100 0.500 0.500 peak 2124 spectrum 1 weight 0.10000E+01 volume 0.64040E-02 ppm1 4.149 ppm2 7.869 CV 1 ASSI { 2125} (( segid " " and resid 36 and name HA )) (( segid " " and resid 38 and name HN )) 5.400 3.700 0.600 peak 2125 spectrum 1 weight 0.10000E+01 volume 0.29840E-03 ppm1 4.152 ppm2 8.360 CV 1 ASSI { 2126} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB2 )) 2.600 0.800 0.800 peak 2126 spectrum 1 weight 0.10000E+01 volume 0.14724E-02 ppm1 4.149 ppm2 1.178 CV 1 ASSI { 2127} (( segid " " and resid 36 and name HA )) (( segid " " and resid 36 and name HB1 )) 3.000 1.100 1.100 peak 2127 spectrum 1 weight 0.10000E+01 volume 0.13004E-02 ppm1 4.148 ppm2 1.442 CV 1 ASSI { 2129} (( segid " " and resid 36 and name HA )) ( segid " " and resid 36 and name HD1%) 2.900 1.100 1.100 peak 2129 spectrum 1 weight 0.10000E+01 volume 0.39994E-02 ppm1 4.151 ppm2 0.704 CV 1 ASSI { 2134} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HB1 )) 2.200 0.600 0.600 peak 2134 spectrum 1 weight 0.10000E+01 volume 0.53755E-02 ppm1 0.732 ppm2 1.458 CV 1 ASSI { 2135} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HB2 )) 2.800 1.000 1.000 peak 2135 spectrum 1 weight 0.10000E+01 volume 0.26641E-02 ppm1 0.732 ppm2 1.180 CV 1 ASSI { 2136} ( segid " " and resid 36 and name HD2%) ( segid " " and resid 44 and name HG2%) 3.200 1.300 1.300 peak 2136 spectrum 1 weight 0.10000E+01 volume 0.16689E-02 ppm1 0.731 ppm2 0.993 CV 1 ASSI { 2137} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HG )) 2.300 0.700 0.700 peak 2137 spectrum 1 weight 0.10000E+01 volume 0.54466E-02 ppm1 0.732 ppm2 1.744 CV 1 ASSI { 2138} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 40 and name HB1 )) 3.000 1.200 1.200 peak 2138 spectrum 1 weight 0.10000E+01 volume 0.40183E-02 ppm1 0.731 ppm2 1.883 CV 1 ASSI { 2140} ( segid " " and resid 36 and name HD1%) ( segid " " and resid 44 and name HG2%) 3.100 1.200 1.200 peak 2140 spectrum 1 weight 0.10000E+01 volume 0.42405E-02 ppm1 0.701 ppm2 0.996 CV 1 ASSI { 2141} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HB2 )) 2.500 0.800 0.800 peak 2141 spectrum 1 weight 0.10000E+01 volume 0.18376E-02 ppm1 0.701 ppm2 1.177 CV 1 ASSI { 2143} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 41 and name HA2 )) 3.500 1.500 1.500 peak 2143 spectrum 1 weight 0.10000E+01 volume 0.13354E-02 ppm1 0.700 ppm2 3.490 CV 1 ASSI { 2145} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 62 and name HD1 )) 4.400 2.400 1.600 peak 2145 spectrum 1 weight 0.10000E+01 volume 0.52342E-03 ppm1 0.733 ppm2 3.154 CV 1 ASSI { 2146} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 41 and name HA2 )) 3.000 1.200 1.200 peak 2146 spectrum 1 weight 0.10000E+01 volume 0.26001E-02 ppm1 0.732 ppm2 3.493 CV 1 ASSI { 2148} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 41 and name HA1 )) 3.300 1.400 1.400 peak 2148 spectrum 1 weight 0.10000E+01 volume 0.20139E-02 ppm1 0.731 ppm2 3.787 CV 1 ASSI { 2149} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 62 and name HA )) 2.500 0.800 0.800 peak 2149 spectrum 1 weight 0.10000E+01 volume 0.40279E-02 ppm1 0.732 ppm2 3.705 CV 1 ASSI { 2150} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HA )) 4.400 2.500 1.600 peak 2150 spectrum 1 weight 0.10000E+01 volume 0.91841E-03 ppm1 0.731 ppm2 4.150 CV 1 ASSI { 2151} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 40 and name HA )) 4.300 2.300 1.700 peak 2151 spectrum 1 weight 0.10000E+01 volume 0.95812E-03 ppm1 0.731 ppm2 4.083 CV 1 ASSI { 2156} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 31 and name HN )) 4.900 3.000 1.100 peak 2156 spectrum 1 weight 0.10000E+01 volume 0.38110E-03 ppm1 0.733 ppm2 8.571 CV 1 ASSI { 2157} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 32 and name HN )) 3.800 1.800 1.800 peak 2157 spectrum 1 weight 0.10000E+01 volume 0.55962E-03 ppm1 0.731 ppm2 8.474 CV 1 ASSI { 2158} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 38 and name HN )) 4.500 2.600 1.500 peak 2158 spectrum 1 weight 0.10000E+01 volume 0.11258E-02 ppm1 0.732 ppm2 8.367 CV 1 ASSI { 2159} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 37 and name HN )) 4.500 2.500 1.500 peak 2159 spectrum 1 weight 0.10000E+01 volume 0.10353E-02 ppm1 0.732 ppm2 7.845 CV 1 ASSI { 2160} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 36 and name HN )) 3.800 1.800 1.800 peak 2160 spectrum 1 weight 0.10000E+01 volume 0.88560E-03 ppm1 0.731 ppm2 7.702 CV 1 ASSI { 2161} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 42 and name HN )) 5.000 3.100 1.000 peak 2161 spectrum 1 weight 0.10000E+01 volume 0.43770E-03 ppm1 0.731 ppm2 7.383 CV 1 ASSI { 2162} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 38 and name HN )) 3.500 1.500 1.500 peak 2162 spectrum 1 weight 0.10000E+01 volume 0.92858E-03 ppm1 0.699 ppm2 8.376 CV 1 ASSI { 2164} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 36 and name HN )) 4.300 2.300 1.700 peak 2164 spectrum 1 weight 0.10000E+01 volume 0.82093E-03 ppm1 0.699 ppm2 7.702 CV 1 ASSI { 2165} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 42 and name HN )) 4.900 3.000 1.100 peak 2165 spectrum 1 weight 0.10000E+01 volume 0.37540E-03 ppm1 0.700 ppm2 7.383 CV 1 ASSI { 2166} (( segid " " and resid 36 and name HG )) (( segid " " and resid 36 and name HA )) 3.600 1.600 1.600 peak 2166 spectrum 1 weight 0.10000E+01 volume 0.85080E-03 ppm1 1.733 ppm2 4.152 CV 1 ASSI { 2168} (( segid " " and resid 36 and name HG )) (( segid " " and resid 37 and name HN )) 3.800 1.800 1.800 peak 2168 spectrum 1 weight 0.10000E+01 volume 0.69046E-03 ppm1 1.734 ppm2 7.871 CV 1 ASSI { 2169} (( segid " " and resid 36 and name HG )) (( segid " " and resid 36 and name HN )) 4.000 2.000 2.000 peak 2169 spectrum 1 weight 0.10000E+01 volume 0.22016E-03 ppm1 1.737 ppm2 7.700 CV 1 ASSI { 2170} (( segid " " and resid 36 and name HG )) (( segid " " and resid 38 and name HN )) 4.600 2.700 1.400 peak 2170 spectrum 1 weight 0.10000E+01 volume 0.50468E-03 ppm1 1.727 ppm2 8.360 CV 1 ASSI { 2172} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 37 and name HN )) 3.300 1.300 1.300 peak 2172 spectrum 1 weight 0.10000E+01 volume 0.13977E-02 ppm1 2.714 ppm2 7.870 CV 1 ASSI { 2173} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 38 and name HN )) 5.900 4.300 0.100 peak 2173 spectrum 1 weight 0.10000E+01 volume 0.10504E-03 ppm1 2.715 ppm2 8.359 CV 1 ASSI { 2174} (( segid " " and resid 37 and name HB2 )) (( segid " " and resid 36 and name HA )) 4.700 2.800 1.300 peak 2174 spectrum 1 weight 0.10000E+01 volume 0.36014E-03 ppm1 2.726 ppm2 4.155 CV 1 ASSI { 2184} (( segid " " and resid 37 and name HA )) (( segid " " and resid 38 and name HN )) 4.500 2.500 1.500 peak 2184 spectrum 1 weight 0.10000E+01 volume 0.23946E-03 ppm1 4.902 ppm2 8.360 CV 1 ASSI { 2185} (( segid " " and resid 37 and name HA )) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 2185 spectrum 1 weight 0.10000E+01 volume 0.10965E-02 ppm1 4.905 ppm2 7.872 CV 1 ASSI { 2186} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HA )) 3.000 1.100 1.100 peak 2186 spectrum 1 weight 0.10000E+01 volume 0.24631E-02 ppm1 1.862 ppm2 4.174 CV 1 ASSI { 2188} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HA )) 3.700 1.700 1.700 peak 2188 spectrum 1 weight 0.10000E+01 volume 0.54178E-03 ppm1 1.863 ppm2 4.056 CV 1 ASSI { 2189} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 41 and name HN )) 4.400 2.400 1.600 peak 2189 spectrum 1 weight 0.10000E+01 volume 0.34769E-03 ppm1 1.873 ppm2 8.350 CV 1 ASSI { 2190} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 40 and name HN )) 2.900 1.100 1.100 peak 2190 spectrum 1 weight 0.10000E+01 volume 0.12921E-02 ppm1 1.864 ppm2 9.316 CV 1 ASSI { 2191} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HN )) 3.700 1.700 1.700 peak 2191 spectrum 1 weight 0.10000E+01 volume 0.13606E-02 ppm1 1.643 ppm2 9.314 CV 1 ASSI { 2192} (( segid " " and resid 39 and name HB1 )) (( segid " " and resid 39 and name HN )) 2.600 0.800 0.800 peak 2192 spectrum 1 weight 0.10000E+01 volume 0.32702E-02 ppm1 1.863 ppm2 7.802 CV 1 ASSI { 2193} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 2193 spectrum 1 weight 0.10000E+01 volume 0.21643E-02 ppm1 1.644 ppm2 7.803 CV 1 ASSI { 2194} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HN )) 2.700 0.900 0.900 peak 2194 spectrum 1 weight 0.10000E+01 volume 0.23321E-02 ppm1 4.174 ppm2 7.801 CV 1 ASSI { 2195} (( segid " " and resid 39 and name HA )) (( segid " " and resid 40 and name HN )) 3.400 1.400 1.400 peak 2195 spectrum 1 weight 0.10000E+01 volume 0.86412E-03 ppm1 4.175 ppm2 9.317 CV 1 ASSI { 2196} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 41 and name HN )) 5.600 3.900 0.400 peak 2196 spectrum 1 weight 0.10000E+01 volume 0.15180E-03 ppm1 1.652 ppm2 8.352 CV 1 ASSI { 2197} (( segid " " and resid 39 and name HB2 )) (( segid " " and resid 40 and name HA )) 5.400 3.700 0.600 peak 2197 spectrum 1 weight 0.10000E+01 volume 0.23001E-03 ppm1 1.655 ppm2 4.055 CV 1 ASSI { 2199} (( segid " " and resid 39 and name HA )) (( segid " " and resid 39 and name HB2 )) 2.300 0.700 0.700 peak 2199 spectrum 1 weight 0.10000E+01 volume 0.48932E-02 ppm1 4.174 ppm2 1.649 CV 1 ASSI { 2201} (( segid " " and resid 39 and name HA )) ( segid " " and resid 39 and name HD2%) 3.500 1.500 1.500 peak 2201 spectrum 1 weight 0.10000E+01 volume 0.15891E-02 ppm1 4.174 ppm2 0.945 CV 1 ASSI { 2208} (( segid " " and resid 69 and name HA )) (( segid " " and resid 70 and name HN )) 3.300 1.300 1.300 peak 2208 spectrum 1 weight 0.10000E+01 volume 0.73203E-03 ppm1 4.044 ppm2 8.317 CV 1 ASSI { 2209} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HA )) 2.400 0.700 0.700 peak 2209 spectrum 1 weight 0.10000E+01 volume 0.67867E-02 ppm1 0.862 ppm2 4.175 CV 1 ASSI { 2210} ( segid " " and resid 39 and name HD1%) (( segid " " and resid 39 and name HG )) 2.100 0.600 0.600 peak 2210 spectrum 1 weight 0.10000E+01 volume 0.92726E-02 ppm1 0.863 ppm2 1.651 CV 1 ASSI { 2211} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HB1 )) 2.700 0.900 0.900 peak 2211 spectrum 1 weight 0.10000E+01 volume 0.30303E-02 ppm1 0.929 ppm2 1.866 CV 1 ASSI { 2213} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 39 and name HN )) 4.200 2.300 1.800 peak 2213 spectrum 1 weight 0.10000E+01 volume 0.82357E-03 ppm1 0.927 ppm2 7.803 CV 1 ASSI { 2214} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 42 and name HN )) 4.700 2.700 1.300 peak 2214 spectrum 1 weight 0.10000E+01 volume 0.43632E-03 ppm1 0.926 ppm2 7.370 CV 1 ASSI { 2215} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 40 and name HN )) 4.900 3.000 1.100 peak 2215 spectrum 1 weight 0.10000E+01 volume 0.23288E-03 ppm1 0.929 ppm2 9.314 CV 1 ASSI { 2219} ( segid " " and resid 39 and name HD2%) (( segid " " and resid 43 and name HG2 )) 5.200 3.400 0.800 peak 2219 spectrum 1 weight 0.10000E+01 volume 0.16509E-03 ppm1 0.930 ppm2 2.255 CV 1 ASSI { 2220} (( segid " " and resid 39 and name HG )) (( segid " " and resid 39 and name HA )) 2.900 1.100 1.100 peak 2220 spectrum 1 weight 0.10000E+01 volume 0.17275E-02 ppm1 1.651 ppm2 4.176 CV 1 ASSI { 2223} (( segid " " and resid 40 and name HG1 )) ( segid " " and resid 39 and name HD2%) 3.500 1.500 1.500 peak 2223 spectrum 1 weight 0.10000E+01 volume 0.11393E-02 ppm1 2.917 ppm2 0.906 CV 1 ASSI { 2224} (( segid " " and resid 40 and name HG2 )) ( segid " " and resid 39 and name HD2%) 2.300 2.300 3.700 peak 2224 spectrum 1 weight 0.10000E+01 volume 0.21828E-02 ppm1 2.513 ppm2 0.906 CV 1 ASSI { 2229} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 40 and name HA )) 3.400 1.400 1.400 peak 2229 spectrum 1 weight 0.10000E+01 volume 0.12438E-02 ppm1 2.918 ppm2 4.058 CV 1 ASSI { 2230} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HA )) 2.800 1.000 1.000 peak 2230 spectrum 1 weight 0.10000E+01 volume 0.16827E-02 ppm1 2.512 ppm2 4.059 CV 1 ASSI { 2231} (( segid " " and resid 40 and name HG1 )) (( segid " " and resid 40 and name HN )) 2.400 0.700 0.700 peak 2231 spectrum 1 weight 0.10000E+01 volume 0.21437E-02 ppm1 2.920 ppm2 9.316 CV 1 ASSI { 2232} (( segid " " and resid 40 and name HG2 )) (( segid " " and resid 40 and name HN )) 3.700 1.700 1.700 peak 2232 spectrum 1 weight 0.10000E+01 volume 0.16111E-02 ppm1 2.510 ppm2 9.316 CV 1 ASSI { 2234} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HG2 )) 2.100 0.600 0.600 peak 2234 spectrum 1 weight 0.10000E+01 volume 0.25577E-02 ppm1 1.953 ppm2 1.667 CV 1 ASSI { 2236} (( segid " " and resid 45 and name HG1 )) (( segid " " and resid 45 and name HN )) 3.900 1.900 1.900 peak 2236 spectrum 1 weight 0.10000E+01 volume 0.49973E-03 ppm1 1.956 ppm2 8.412 CV 1 ASSI { 2238} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB2 )) 3.000 1.100 1.100 peak 2238 spectrum 1 weight 0.10000E+01 volume 0.15620E-02 ppm1 3.966 ppm2 3.044 CV 1 ASSI { 2239} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HB1 )) 3.700 1.700 1.700 peak 2239 spectrum 1 weight 0.10000E+01 volume 0.95548E-03 ppm1 3.965 ppm2 3.413 CV 1 ASSI { 2240} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB1 )) 2.700 0.900 0.900 peak 2240 spectrum 1 weight 0.10000E+01 volume 0.14780E-02 ppm1 3.965 ppm2 2.037 CV 1 ASSI { 2241} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HG )) 3.400 1.400 1.400 peak 2241 spectrum 1 weight 0.10000E+01 volume 0.20320E-02 ppm1 3.967 ppm2 1.813 CV 1 ASSI { 2242} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HB2 )) 3.000 1.100 1.100 peak 2242 spectrum 1 weight 0.10000E+01 volume 0.20693E-02 ppm1 3.965 ppm2 1.591 CV 1 ASSI { 2243} (( segid " " and resid 48 and name HA )) (( segid " " and resid 52 and name HN )) 3.300 1.300 1.300 peak 2243 spectrum 1 weight 0.10000E+01 volume 0.65236E-03 ppm1 3.964 ppm2 7.138 CV 1 ASSI { 2246} (( segid " " and resid 48 and name HA )) (( segid " " and resid 47 and name HN )) 4.300 2.300 1.700 peak 2246 spectrum 1 weight 0.10000E+01 volume 0.94208E-03 ppm1 3.967 ppm2 7.932 CV 1 ASSI { 2247} (( segid " " and resid 48 and name HA )) (( segid " " and resid 48 and name HN )) 2.700 0.900 0.900 peak 2247 spectrum 1 weight 0.10000E+01 volume 0.20793E-02 ppm1 3.965 ppm2 8.141 CV 1 ASSI { 2248} (( segid " " and resid 48 and name HA )) (( segid " " and resid 51 and name HN )) 3.800 1.800 1.800 peak 2248 spectrum 1 weight 0.10000E+01 volume 0.38356E-03 ppm1 3.967 ppm2 8.557 CV 1 ASSI { 2249} (( segid " " and resid 48 and name HA )) ( segid " " and resid 47 and name HG2%) 3.300 1.300 1.300 peak 2249 spectrum 1 weight 0.10000E+01 volume 0.10651E-02 ppm1 3.966 ppm2 0.865 CV 1 ASSI { 2250} (( segid " " and resid 48 and name HA )) ( segid " " and resid 48 and name HD1%) 2.300 0.700 0.700 peak 2250 spectrum 1 weight 0.10000E+01 volume 0.65572E-02 ppm1 3.967 ppm2 0.678 CV 1 ASSI { 2253} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 45 and name HA )) 4.200 2.200 1.800 peak 2253 spectrum 1 weight 0.10000E+01 volume 0.88053E-03 ppm1 2.036 ppm2 3.825 CV 1 ASSI { 2255} (( segid " " and resid 48 and name HB1 )) ( segid " " and resid 48 and name HD1%) 2.500 0.800 0.800 peak 2255 spectrum 1 weight 0.10000E+01 volume 0.36751E-02 ppm1 2.034 ppm2 0.702 CV 1 ASSI { 2256} (( segid " " and resid 48 and name HB1 )) (( segid " " and resid 48 and name HN )) 3.400 1.500 1.500 peak 2256 spectrum 1 weight 0.10000E+01 volume 0.20291E-02 ppm1 2.035 ppm2 8.138 CV 1 ASSI { 2261} (( segid " " and resid 48 and name HG )) (( segid " " and resid 48 and name HN )) 3.500 1.500 1.500 peak 2261 spectrum 1 weight 0.10000E+01 volume 0.16156E-02 ppm1 1.807 ppm2 8.139 CV 1 ASSI { 2262} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.700 1.700 1.700 peak 2262 spectrum 1 weight 0.10000E+01 volume 0.96487E-03 ppm1 0.671 ppm2 3.417 CV 1 ASSI { 2263} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 52 and name HB2 )) 3.300 1.400 1.400 peak 2263 spectrum 1 weight 0.10000E+01 volume 0.11015E-02 ppm1 0.670 ppm2 3.043 CV 1 ASSI { 2265} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 48 and name HN )) 3.500 1.500 1.500 peak 2265 spectrum 1 weight 0.10000E+01 volume 0.18704E-02 ppm1 0.671 ppm2 8.138 CV 1 ASSI { 2266} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 47 and name HN )) 4.800 2.900 1.200 peak 2266 spectrum 1 weight 0.10000E+01 volume 0.69835E-03 ppm1 0.673 ppm2 7.930 CV 1 ASSI { 2267} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 52 and name HN )) 4.600 2.600 1.400 peak 2267 spectrum 1 weight 0.10000E+01 volume 0.29362E-03 ppm1 0.673 ppm2 7.138 CV 1 ASSI { 2269} ( segid " " and resid 48 and name HD1%) (( segid " " and resid 48 and name HG )) 2.200 0.600 0.600 peak 2269 spectrum 1 weight 0.10000E+01 volume 0.81037E-02 ppm1 0.671 ppm2 1.814 CV 1 ASSI { 2272} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 37 and name HN )) 3.100 1.200 1.200 peak 2272 spectrum 1 weight 0.10000E+01 volume 0.11844E-02 ppm1 0.701 ppm2 7.876 CV 1 ASSI { 2279} (( segid " " and resid 49 and name HB2 )) (( segid " " and resid 46 and name HA )) 2.900 1.100 1.100 peak 2279 spectrum 1 weight 0.10000E+01 volume 0.18499E-02 ppm1 2.081 ppm2 4.237 CV 1 OR { 2279} (( segid " " and resid 49 and name HB1 )) (( segid " " and resid 46 and name HA )) ASSI { 2280} (( segid " " and resid 50 and name HG1 )) (( segid " " and resid 50 and name HN )) 3.500 1.600 1.600 peak 2280 spectrum 1 weight 0.10000E+01 volume 0.11931E-02 ppm1 1.779 ppm2 8.483 CV 1 ASSI { 2281} (( segid " " and resid 50 and name HG2 )) (( segid " " and resid 50 and name HN )) 3.900 1.900 1.900 peak 2281 spectrum 1 weight 0.10000E+01 volume 0.91142E-03 ppm1 1.603 ppm2 8.485 CV 1 ASSI { 2286} (( segid " " and resid 50 and name HD1 )) (( segid " " and resid 50 and name HG2 )) 2.500 0.800 0.800 peak 2286 spectrum 1 weight 0.10000E+01 volume 0.36709E-02 ppm1 3.182 ppm2 1.611 CV 1 OR { 2286} (( segid " " and resid 50 and name HD2 )) (( segid " " and resid 50 and name HG2 )) ASSI { 2288} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HN )) 2.000 0.500 0.500 peak 2288 spectrum 1 weight 0.10000E+01 volume 0.13402E-01 ppm1 4.499 ppm2 7.634 CV 1 ASSI { 2290} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB1 )) 2.500 0.800 0.800 peak 2290 spectrum 1 weight 0.10000E+01 volume 0.52021E-02 ppm1 4.499 ppm2 3.002 CV 1 ASSI { 2291} (( segid " " and resid 53 and name HA )) (( segid " " and resid 53 and name HB2 )) 2.700 0.900 0.900 peak 2291 spectrum 1 weight 0.10000E+01 volume 0.47552E-02 ppm1 4.499 ppm2 2.530 CV 1 ASSI { 2298} (( segid " " and resid 53 and name HB1 )) (( segid " " and resid 53 and name HN )) 3.500 1.500 1.500 peak 2298 spectrum 1 weight 0.10000E+01 volume 0.18964E-02 ppm1 2.999 ppm2 7.632 CV 1 ASSI { 2299} (( segid " " and resid 53 and name HB2 )) (( segid " " and resid 53 and name HN )) 3.100 1.200 1.200 peak 2299 spectrum 1 weight 0.10000E+01 volume 0.22483E-02 ppm1 2.528 ppm2 7.634 CV 1 ASSI { 2300} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD1%) 2.600 0.800 0.800 peak 2300 spectrum 1 weight 0.10000E+01 volume 0.36250E-02 ppm1 4.585 ppm2 0.845 CV 1 OR { 2300} (( segid " " and resid 54 and name HA )) ( segid " " and resid 54 and name HD2%) ASSI { 2301} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HN )) 3.700 1.700 1.700 peak 2301 spectrum 1 weight 0.10000E+01 volume 0.18859E-02 ppm1 1.350 ppm2 7.632 CV 1 ASSI { 2302} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HN )) 2.400 0.700 0.700 peak 2302 spectrum 1 weight 0.10000E+01 volume 0.21364E-02 ppm1 1.271 ppm2 7.633 CV 1 ASSI { 2303} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HN )) 3.800 1.800 1.800 peak 2303 spectrum 1 weight 0.10000E+01 volume 0.56904E-03 ppm1 1.352 ppm2 8.541 CV 1 ASSI { 2304} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HN )) 4.400 2.400 1.600 peak 2304 spectrum 1 weight 0.10000E+01 volume 0.66901E-03 ppm1 1.273 ppm2 8.543 CV 1 ASSI { 2305} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 54 and name HA )) 2.900 1.100 1.100 peak 2305 spectrum 1 weight 0.10000E+01 volume 0.18747E-02 ppm1 1.272 ppm2 4.587 CV 1 ASSI { 2306} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 54 and name HA )) 2.700 0.900 0.900 peak 2306 spectrum 1 weight 0.10000E+01 volume 0.18106E-02 ppm1 1.352 ppm2 4.587 CV 1 ASSI { 2308} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 52 and name HB1 )) 3.400 1.400 1.400 peak 2308 spectrum 1 weight 0.10000E+01 volume 0.51574E-03 ppm1 1.271 ppm2 3.415 CV 1 ASSI { 2310} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 52 and name HB2 )) 3.600 1.600 1.600 peak 2310 spectrum 1 weight 0.10000E+01 volume 0.45615E-03 ppm1 1.275 ppm2 3.044 CV 1 ASSI { 2312} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 48 and name HB1 )) 3.400 1.400 1.400 peak 2312 spectrum 1 weight 0.10000E+01 volume 0.31107E-03 ppm1 1.274 ppm2 2.037 CV 1 ASSI { 2313} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 48 and name HG )) 4.600 2.700 1.400 peak 2313 spectrum 1 weight 0.10000E+01 volume 0.34862E-03 ppm1 1.271 ppm2 1.821 CV 1 ASSI { 2314} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 48 and name HG )) 4.200 2.200 1.800 peak 2314 spectrum 1 weight 0.10000E+01 volume 0.49298E-03 ppm1 1.355 ppm2 1.817 CV 1 ASSI { 2316} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 48 and name HB2 )) 4.500 2.500 1.500 peak 2316 spectrum 1 weight 0.10000E+01 volume 0.56925E-03 ppm1 1.272 ppm2 1.588 CV 1 ASSI { 2317} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 49 and name HA )) 4.600 2.700 1.400 peak 2317 spectrum 1 weight 0.10000E+01 volume 0.26036E-03 ppm1 1.359 ppm2 3.837 CV 1 ASSI { 2318} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 49 and name HA )) 4.200 2.200 1.800 peak 2318 spectrum 1 weight 0.10000E+01 volume 0.34157E-03 ppm1 1.272 ppm2 3.840 CV 1 ASSI { 2319} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 48 and name HD1%) 3.900 1.900 1.900 peak 2319 spectrum 1 weight 0.10000E+01 volume 0.49844E-03 ppm1 1.358 ppm2 0.699 CV 1 ASSI { 2320} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 48 and name HD1%) 3.500 1.500 1.500 peak 2320 spectrum 1 weight 0.10000E+01 volume 0.63161E-03 ppm1 1.271 ppm2 0.691 CV 1 ASSI { 2321} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 54 and name HD2%) 2.700 0.900 0.900 peak 2321 spectrum 1 weight 0.10000E+01 volume 0.45420E-02 ppm1 1.353 ppm2 0.849 CV 1 OR { 2321} (( segid " " and resid 54 and name HB1 )) ( segid " " and resid 54 and name HD1%) ASSI { 2322} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD2%) 2.400 0.700 0.700 peak 2322 spectrum 1 weight 0.10000E+01 volume 0.50237E-02 ppm1 1.271 ppm2 0.848 CV 1 OR { 2322} (( segid " " and resid 54 and name HB2 )) ( segid " " and resid 54 and name HD1%) ASSI { 2327} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 48 and name HB2 )) 5.100 3.200 0.900 peak 2327 spectrum 1 weight 0.10000E+01 volume 0.24439E-03 ppm1 1.354 ppm2 1.588 CV 1 ASSI { 2328} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 48 and name HB1 )) 3.300 1.300 1.300 peak 2328 spectrum 1 weight 0.10000E+01 volume 0.45186E-03 ppm1 1.353 ppm2 2.042 CV 1 ASSI { 2331} (( segid " " and resid 54 and name HA )) (( segid " " and resid 55 and name HN )) 2.100 0.500 0.500 peak 2331 spectrum 1 weight 0.10000E+01 volume 0.71454E-02 ppm1 4.585 ppm2 8.546 CV 1 ASSI { 2333} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HA )) 2.800 0.900 0.900 peak 2333 spectrum 1 weight 0.10000E+01 volume 0.20186E-02 ppm1 0.839 ppm2 4.587 CV 1 ASSI { 2334} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 52 and name HB1 )) 3.700 1.700 1.700 peak 2334 spectrum 1 weight 0.10000E+01 volume 0.27818E-03 ppm1 0.838 ppm2 3.423 CV 1 ASSI { 2335} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 52 and name HB2 )) 4.900 2.900 1.100 peak 2335 spectrum 1 weight 0.10000E+01 volume 0.24144E-03 ppm1 0.837 ppm2 3.033 CV 1 ASSI { 2336} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 51 and name HB2 )) 2.100 2.100 3.900 peak 2336 spectrum 1 weight 0.10000E+01 volume 0.30570E-02 ppm1 0.841 ppm2 1.819 CV 1 ASSI { 2337} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 48 and name HB1 )) 4.500 2.600 1.500 peak 2337 spectrum 1 weight 0.10000E+01 volume 0.48425E-03 ppm1 0.844 ppm2 2.029 CV 1 ASSI { 2339} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB1 )) 3.200 1.300 1.300 peak 2339 spectrum 1 weight 0.10000E+01 volume 0.27972E-02 ppm1 0.841 ppm2 1.361 CV 1 ASSI { 2340} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HB2 )) 3.000 1.100 1.100 peak 2340 spectrum 1 weight 0.10000E+01 volume 0.13398E-02 ppm1 0.841 ppm2 1.268 CV 1 ASSI { 2341} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 55 and name HN )) 4.800 2.800 1.200 peak 2341 spectrum 1 weight 0.10000E+01 volume 0.75122E-03 ppm1 0.839 ppm2 8.548 CV 1 ASSI { 2344} (( segid " " and resid 54 and name HG )) ( segid " " and resid 56 and name HD2%) 2.800 1.000 1.000 peak 2344 spectrum 1 weight 0.10000E+01 volume 0.30780E-02 ppm1 1.379 ppm2 0.848 CV 1 ASSI { 2345} (( segid " " and resid 54 and name HG )) (( segid " " and resid 54 and name HN )) 4.300 2.400 1.700 peak 2345 spectrum 1 weight 0.10000E+01 volume 0.79628E-03 ppm1 1.377 ppm2 7.632 CV 1 ASSI { 2346} (( segid " " and resid 54 and name HG )) (( segid " " and resid 55 and name HN )) 4.800 2.900 1.200 peak 2346 spectrum 1 weight 0.10000E+01 volume 0.35546E-03 ppm1 1.380 ppm2 8.547 CV 1 ASSI { 2347} (( segid " " and resid 54 and name HG )) (( segid " " and resid 54 and name HA )) 3.500 1.500 1.500 peak 2347 spectrum 1 weight 0.10000E+01 volume 0.47936E-03 ppm1 1.384 ppm2 4.592 CV 1 ASSI { 2369} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HG1 )) 3.800 1.800 1.800 peak 2369 spectrum 1 weight 0.10000E+01 volume 0.94648E-03 ppm1 3.990 ppm2 2.088 CV 1 ASSI { 2370} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HB )) 3.000 1.100 1.100 peak 2370 spectrum 1 weight 0.10000E+01 volume 0.16599E-02 ppm1 3.993 ppm2 1.942 CV 1 ASSI { 2371} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HB1 )) 5.000 3.100 1.000 peak 2371 spectrum 1 weight 0.10000E+01 volume 0.70024E-03 ppm1 3.993 ppm2 1.387 CV 1 ASSI { 2378} (( segid " " and resid 55 and name HB )) (( segid " " and resid 54 and name HA )) 4.600 2.700 1.400 peak 2378 spectrum 1 weight 0.10000E+01 volume 0.80881E-03 ppm1 1.939 ppm2 4.587 CV 1 ASSI { 2379} (( segid " " and resid 55 and name HA )) (( segid " " and resid 56 and name HN )) 2.200 0.600 0.600 peak 2379 spectrum 1 weight 0.10000E+01 volume 0.65281E-02 ppm1 3.991 ppm2 8.239 CV 1 ASSI { 2380} (( segid " " and resid 55 and name HA )) (( segid " " and resid 55 and name HN )) 2.900 1.100 1.100 peak 2380 spectrum 1 weight 0.10000E+01 volume 0.14270E-02 ppm1 3.991 ppm2 8.543 CV 1 ASSI { 2381} (( segid " " and resid 55 and name HB )) (( segid " " and resid 56 and name HN )) 4.700 2.700 1.300 peak 2381 spectrum 1 weight 0.10000E+01 volume 0.34910E-03 ppm1 1.938 ppm2 8.240 CV 1 ASSI { 2382} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 56 and name HB1 )) 5.600 4.000 0.400 peak 2382 spectrum 1 weight 0.10000E+01 volume 0.19339E-03 ppm1 0.750 ppm2 1.390 CV 1 ASSI { 2383} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 53 and name HA )) 2.900 2.900 3.100 peak 2383 spectrum 1 weight 0.10000E+01 volume 0.44415E-03 ppm1 0.797 ppm2 4.500 CV 1 ASSI { 2385} (( segid " " and resid 55 and name HA )) (( segid " " and resid 57 and name HD1 )) 4.600 2.600 1.400 peak 2385 spectrum 1 weight 0.10000E+01 volume 0.27754E-03 ppm1 3.995 ppm2 3.849 CV 1 ASSI { 2387} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HG2 )) 4.300 2.300 1.700 peak 2387 spectrum 1 weight 0.10000E+01 volume 0.11086E-02 ppm1 1.381 ppm2 1.924 CV 1 OR { 2387} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HB2 )) ASSI { 2388} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HB2 )) 4.800 2.900 1.200 peak 2388 spectrum 1 weight 0.10000E+01 volume 0.71445E-03 ppm1 1.341 ppm2 1.927 CV 1 OR { 2388} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 57 and name HG2 )) ASSI { 2389} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HG1 )) 4.900 3.000 1.100 peak 2389 spectrum 1 weight 0.10000E+01 volume 0.69457E-03 ppm1 1.386 ppm2 2.088 CV 1 ASSI { 2390} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 57 and name HD2 )) 3.900 1.900 1.900 peak 2390 spectrum 1 weight 0.10000E+01 volume 0.85785E-03 ppm1 1.383 ppm2 3.548 CV 1 ASSI { 2394} (( segid " " and resid 56 and name HB1 )) (( segid " " and resid 56 and name HA )) 2.600 0.800 0.800 peak 2394 spectrum 1 weight 0.10000E+01 volume 0.12738E-02 ppm1 1.389 ppm2 4.919 CV 1 ASSI { 2399} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HG2 )) 4.400 2.400 1.600 peak 2399 spectrum 1 weight 0.10000E+01 volume 0.10306E-02 ppm1 4.916 ppm2 1.933 CV 1 OR { 2399} (( segid " " and resid 56 and name HA )) (( segid " " and resid 57 and name HB2 )) ASSI { 2400} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HB2 )) 3.100 1.200 1.200 peak 2400 spectrum 1 weight 0.10000E+01 volume 0.16020E-02 ppm1 4.916 ppm2 1.349 CV 1 ASSI { 2401} (( segid " " and resid 56 and name HA )) ( segid " " and resid 56 and name HD1%) 3.800 1.800 1.800 peak 2401 spectrum 1 weight 0.10000E+01 volume 0.12674E-02 ppm1 4.919 ppm2 0.752 CV 1 ASSI { 2403} (( segid " " and resid 56 and name HA )) (( segid " " and resid 56 and name HN )) 2.900 1.000 1.000 peak 2403 spectrum 1 weight 0.10000E+01 volume 0.12238E-02 ppm1 4.919 ppm2 8.238 CV 1 ASSI { 2404} (( segid " " and resid 56 and name HB2 )) (( segid " " and resid 56 and name HN )) 2.900 1.000 1.000 peak 2404 spectrum 1 weight 0.10000E+01 volume 0.11089E-02 ppm1 1.337 ppm2 8.239 CV 1 ASSI { 2405} (( segid " " and resid 56 and name HB1 )) ( segid " " and resid 56 and name HD1%) 2.900 1.000 1.000 peak 2405 spectrum 1 weight 0.10000E+01 volume 0.17100E-02 ppm1 1.392 ppm2 0.743 CV 1 ASSI { 2406} (( segid " " and resid 56 and name HB2 )) ( segid " " and resid 56 and name HD1%) 3.100 1.200 1.200 peak 2406 spectrum 1 weight 0.10000E+01 volume 0.13143E-02 ppm1 1.343 ppm2 0.741 CV 1 ASSI { 2408} (( segid " " and resid 56 and name HG )) (( segid " " and resid 56 and name HA )) 3.400 1.400 1.400 peak 2408 spectrum 1 weight 0.10000E+01 volume 0.92243E-03 ppm1 1.437 ppm2 4.917 CV 1 ASSI { 2410} (( segid " " and resid 56 and name HG )) (( segid " " and resid 56 and name HN )) 3.200 1.200 1.200 peak 2410 spectrum 1 weight 0.10000E+01 volume 0.81073E-03 ppm1 1.444 ppm2 8.239 CV 1 ASSI { 2415} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 56 and name HA )) 2.300 0.600 0.600 peak 2415 spectrum 1 weight 0.10000E+01 volume 0.55324E-02 ppm1 0.843 ppm2 4.915 CV 1 ASSI { 2420} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 64 and name HN )) 5.300 3.500 0.700 peak 2420 spectrum 1 weight 0.10000E+01 volume 0.41493E-03 ppm1 0.853 ppm2 7.386 CV 1 ASSI { 2421} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HN )) 3.200 1.300 1.300 peak 2421 spectrum 1 weight 0.10000E+01 volume 0.15798E-02 ppm1 0.845 ppm2 7.163 CV 1 ASSI { 2422} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 56 and name HN )) 3.400 1.400 1.400 peak 2422 spectrum 1 weight 0.10000E+01 volume 0.12793E-02 ppm1 0.845 ppm2 8.239 CV 1 ASSI { 2424} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 55 and name HN )) 3.600 1.600 1.600 peak 2424 spectrum 1 weight 0.10000E+01 volume 0.62480E-03 ppm1 0.845 ppm2 8.550 CV 1 ASSI { 2426} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HN )) 2.300 0.700 0.700 peak 2426 spectrum 1 weight 0.10000E+01 volume 0.59544E-02 ppm1 0.845 ppm2 7.892 CV 1 ASSI { 2429} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 55 and name HB )) 2.700 2.700 3.300 peak 2429 spectrum 1 weight 0.10000E+01 volume 0.40504E-02 ppm1 0.844 ppm2 1.934 CV 1 ASSI { 2431} ( segid " " and resid 56 and name HD2%) (( segid " " and resid 54 and name HA )) 4.000 2.000 2.000 peak 2431 spectrum 1 weight 0.10000E+01 volume 0.51328E-03 ppm1 0.846 ppm2 4.595 CV 1 ASSI { 2433} (( segid " " and resid 58 and name HA )) (( segid " " and resid 61 and name HB )) 2.200 0.600 0.600 peak 2433 spectrum 1 weight 0.10000E+01 volume 0.43167E-02 ppm1 3.693 ppm2 2.198 CV 1 ASSI { 2434} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HB )) 2.600 0.900 0.900 peak 2434 spectrum 1 weight 0.10000E+01 volume 0.31269E-02 ppm1 3.692 ppm2 1.895 CV 1 ASSI { 2437} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HG2%) 2.500 0.800 0.800 peak 2437 spectrum 1 weight 0.10000E+01 volume 0.38938E-02 ppm1 3.693 ppm2 0.863 CV 1 ASSI { 2438} (( segid " " and resid 58 and name HA )) ( segid " " and resid 58 and name HD1%) 2.600 0.900 0.900 peak 2438 spectrum 1 weight 0.10000E+01 volume 0.54676E-02 ppm1 3.692 ppm2 0.795 CV 1 ASSI { 2439} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HN )) 3.500 1.500 1.500 peak 2439 spectrum 1 weight 0.10000E+01 volume 0.34886E-03 ppm1 3.690 ppm2 8.947 CV 1 ASSI { 2440} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HN )) 3.200 1.300 1.300 peak 2440 spectrum 1 weight 0.10000E+01 volume 0.57411E-03 ppm1 3.694 ppm2 8.588 CV 1 ASSI { 2441} (( segid " " and resid 58 and name HA )) (( segid " " and resid 61 and name HN )) 2.800 1.000 1.000 peak 2441 spectrum 1 weight 0.10000E+01 volume 0.18083E-02 ppm1 3.693 ppm2 7.891 CV 1 ASSI { 2442} (( segid " " and resid 58 and name HA )) (( segid " " and resid 62 and name HN )) 3.600 1.600 1.600 peak 2442 spectrum 1 weight 0.10000E+01 volume 0.48746E-03 ppm1 3.691 ppm2 7.823 CV 1 ASSI { 2443} (( segid " " and resid 58 and name HA )) (( segid " " and resid 60 and name HN )) 3.700 1.700 1.700 peak 2443 spectrum 1 weight 0.10000E+01 volume 0.55995E-03 ppm1 3.691 ppm2 7.164 CV 1 ASSI { 2447} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HD2 )) 3.200 1.300 1.300 peak 2447 spectrum 1 weight 0.10000E+01 volume 0.83992E-03 ppm1 1.890 ppm2 3.155 CV 1 OR { 2447} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HD1 )) ASSI { 2448} (( segid " " and resid 58 and name HB )) (( segid " " and resid 58 and name HN )) 2.800 1.000 1.000 peak 2448 spectrum 1 weight 0.10000E+01 volume 0.11681E-02 ppm1 1.894 ppm2 8.947 CV 1 ASSI { 2449} (( segid " " and resid 58 and name HB )) (( segid " " and resid 59 and name HN )) 2.800 1.000 1.000 peak 2449 spectrum 1 weight 0.10000E+01 volume 0.13633E-02 ppm1 1.893 ppm2 8.588 CV 1 ASSI { 2454} (( segid " " and resid 58 and name HB )) ( segid " " and resid 58 and name HD1%) 2.900 1.000 1.000 peak 2454 spectrum 1 weight 0.10000E+01 volume 0.23498E-02 ppm1 1.894 ppm2 0.790 CV 1 ASSI { 2456} (( segid " " and resid 58 and name HA )) (( segid " " and resid 61 and name HA )) 5.100 3.200 0.900 peak 2456 spectrum 1 weight 0.10000E+01 volume 0.29060E-03 ppm1 3.694 ppm2 3.401 CV 1 ASSI { 2457} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD2 )) 4.000 2.000 2.000 peak 2457 spectrum 1 weight 0.10000E+01 volume 0.88269E-03 ppm1 3.694 ppm2 3.152 CV 1 OR { 2457} (( segid " " and resid 58 and name HA )) (( segid " " and resid 59 and name HD1 )) ASSI { 2478} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HD2 )) 3.300 1.400 1.400 peak 2478 spectrum 1 weight 0.10000E+01 volume 0.22967E-02 ppm1 0.879 ppm2 3.156 CV 1 OR { 2478} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HD1 )) ASSI { 2479} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HD2 )) 2.900 1.000 1.000 peak 2479 spectrum 1 weight 0.10000E+01 volume 0.11546E-02 ppm1 0.878 ppm2 3.060 CV 1 ASSI { 2480} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 57 and name HB1 )) 5.400 3.600 0.600 peak 2480 spectrum 1 weight 0.10000E+01 volume 0.41514E-03 ppm1 0.878 ppm2 2.401 CV 1 ASSI { 2481} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 63 and name HE22)) 4.400 2.400 1.600 peak 2481 spectrum 1 weight 0.10000E+01 volume 0.36958E-03 ppm1 0.879 ppm2 7.382 CV 1 ASSI { 2482} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 60 and name HN )) 4.700 2.800 1.300 peak 2482 spectrum 1 weight 0.10000E+01 volume 0.29351E-03 ppm1 0.878 ppm2 7.164 CV 1 ASSI { 2483} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 62 and name HN )) 3.700 1.700 1.700 peak 2483 spectrum 1 weight 0.10000E+01 volume 0.59205E-03 ppm1 0.878 ppm2 7.824 CV 1 ASSI { 2484} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HN )) 4.200 2.200 1.800 peak 2484 spectrum 1 weight 0.10000E+01 volume 0.91010E-03 ppm1 0.878 ppm2 8.947 CV 1 ASSI { 2485} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 59 and name HN )) 2.900 1.000 1.000 peak 2485 spectrum 1 weight 0.10000E+01 volume 0.25923E-02 ppm1 0.879 ppm2 8.589 CV 1 ASSI { 2486} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 58 and name HB )) 2.300 0.600 0.600 peak 2486 spectrum 1 weight 0.10000E+01 volume 0.54805E-02 ppm1 0.881 ppm2 1.895 CV 1 ASSI { 2487} ( segid " " and resid 58 and name HG2%) ( segid " " and resid 58 and name HD1%) 4.100 2.100 1.900 peak 2487 spectrum 1 weight 0.10000E+01 volume 0.97297E-03 ppm1 0.881 ppm2 0.786 CV 1 ASSI { 2490} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HB1 )) 2.400 0.700 0.700 peak 2490 spectrum 1 weight 0.10000E+01 volume 0.36637E-02 ppm1 4.186 ppm2 2.090 CV 1 ASSI { 2491} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG2 )) 2.600 0.800 0.800 peak 2491 spectrum 1 weight 0.10000E+01 volume 0.41190E-02 ppm1 4.184 ppm2 2.234 CV 1 OR { 2491} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HG1 )) ASSI { 2492} (( segid " " and resid 60 and name HA )) (( segid " " and resid 63 and name HE21)) 3.000 1.100 1.100 peak 2492 spectrum 1 weight 0.10000E+01 volume 0.12797E-02 ppm1 4.186 ppm2 6.837 CV 1 ASSI { 2493} (( segid " " and resid 60 and name HA )) (( segid " " and resid 60 and name HN )) 2.800 1.000 1.000 peak 2493 spectrum 1 weight 0.10000E+01 volume 0.18754E-02 ppm1 4.187 ppm2 7.164 CV 1 ASSI { 2494} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HA )) 3.100 1.200 1.200 peak 2494 spectrum 1 weight 0.10000E+01 volume 0.20241E-02 ppm1 1.913 ppm2 4.202 CV 1 ASSI { 2495} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 57 and name HD2 )) 2.800 1.000 1.000 peak 2495 spectrum 1 weight 0.10000E+01 volume 0.10221E-02 ppm1 1.913 ppm2 3.547 CV 1 ASSI { 2496} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 57 and name HD1 )) 3.800 1.900 1.900 peak 2496 spectrum 1 weight 0.10000E+01 volume 0.79703E-03 ppm1 1.910 ppm2 3.825 CV 1 ASSI { 2497} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 60 and name HN )) 2.400 0.700 0.700 peak 2497 spectrum 1 weight 0.10000E+01 volume 0.27268E-02 ppm1 1.915 ppm2 7.161 CV 1 ASSI { 2498} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 56 and name HA )) 5.000 3.100 1.000 peak 2498 spectrum 1 weight 0.10000E+01 volume 0.27130E-03 ppm1 2.088 ppm2 4.915 CV 1 ASSI { 2499} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 56 and name HA )) 3.800 1.800 1.800 peak 2499 spectrum 1 weight 0.10000E+01 volume 0.26068E-03 ppm1 1.910 ppm2 4.914 CV 1 ASSI { 2500} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 56 and name HB2 )) 4.700 2.800 1.300 peak 2500 spectrum 1 weight 0.10000E+01 volume 0.91016E-03 ppm1 2.087 ppm2 1.345 CV 1 ASSI { 2501} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 56 and name HB2 )) 4.200 2.200 1.800 peak 2501 spectrum 1 weight 0.10000E+01 volume 0.93227E-03 ppm1 1.914 ppm2 1.345 CV 1 ASSI { 2502} (( segid " " and resid 60 and name HB2 )) ( segid " " and resid 61 and name HG2%) 2.800 1.000 1.000 peak 2502 spectrum 1 weight 0.10000E+01 volume 0.18788E-02 ppm1 1.917 ppm2 0.852 CV 1 ASSI { 2503} (( segid " " and resid 60 and name HB1 )) (( segid " " and resid 60 and name HN )) 3.400 1.500 1.500 peak 2503 spectrum 1 weight 0.10000E+01 volume 0.20101E-02 ppm1 2.087 ppm2 7.164 CV 1 ASSI { 2504} (( segid " " and resid 60 and name HA )) (( segid " " and resid 61 and name HN )) 3.300 1.300 1.300 peak 2504 spectrum 1 weight 0.10000E+01 volume 0.96460E-03 ppm1 4.186 ppm2 7.893 CV 1 ASSI { 2505} (( segid " " and resid 60 and name HB2 )) (( segid " " and resid 61 and name HN )) 3.400 1.400 1.400 peak 2505 spectrum 1 weight 0.10000E+01 volume 0.99001E-03 ppm1 1.915 ppm2 7.891 CV 1 ASSI { 2510} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HB )) 3.000 1.100 1.100 peak 2510 spectrum 1 weight 0.10000E+01 volume 0.13202E-02 ppm1 3.398 ppm2 2.199 CV 1 ASSI { 2511} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HG )) 2.300 0.700 0.700 peak 2511 spectrum 1 weight 0.10000E+01 volume 0.32492E-02 ppm1 3.397 ppm2 2.022 CV 1 ASSI { 2512} (( segid " " and resid 61 and name HA )) (( segid " " and resid 60 and name HB2 )) 3.800 1.800 1.800 peak 2512 spectrum 1 weight 0.10000E+01 volume 0.51622E-03 ppm1 3.398 ppm2 1.926 CV 1 ASSI { 2513} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HB1 )) 5.000 3.200 1.000 peak 2513 spectrum 1 weight 0.10000E+01 volume 0.30099E-03 ppm1 3.399 ppm2 1.845 CV 1 ASSI { 2514} (( segid " " and resid 61 and name HA )) ( segid " " and resid 61 and name HG1%) 2.200 0.600 0.600 peak 2514 spectrum 1 weight 0.10000E+01 volume 0.85722E-02 ppm1 3.397 ppm2 0.803 CV 1 ASSI { 2515} (( segid " " and resid 61 and name HA )) (( segid " " and resid 64 and name HB2 )) 4.800 2.800 1.200 peak 2515 spectrum 1 weight 0.10000E+01 volume 0.39316E-03 ppm1 3.398 ppm2 1.126 CV 1 ASSI { 2516} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HN )) 4.100 2.100 1.900 peak 2516 spectrum 1 weight 0.10000E+01 volume 0.20768E-03 ppm1 3.397 ppm2 6.840 CV 1 ASSI { 2517} (( segid " " and resid 61 and name HA )) (( segid " " and resid 63 and name HE22)) 3.800 1.800 1.800 peak 2517 spectrum 1 weight 0.10000E+01 volume 0.85707E-03 ppm1 3.397 ppm2 7.391 CV 1 ASSI { 2518} (( segid " " and resid 61 and name HA )) (( segid " " and resid 61 and name HN )) 2.700 0.900 0.900 peak 2518 spectrum 1 weight 0.10000E+01 volume 0.16638E-02 ppm1 3.398 ppm2 7.889 CV 1 ASSI { 2519} (( segid " " and resid 61 and name HA )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 2519 spectrum 1 weight 0.10000E+01 volume 0.40984E-03 ppm1 3.397 ppm2 7.823 CV 1 ASSI { 2522} (( segid " " and resid 61 and name HB )) (( segid " " and resid 60 and name HN )) 4.300 2.300 1.700 peak 2522 spectrum 1 weight 0.10000E+01 volume 0.55590E-03 ppm1 2.195 ppm2 7.162 CV 1 ASSI { 2523} (( segid " " and resid 61 and name HB )) (( segid " " and resid 61 and name HN )) 2.300 0.700 0.700 peak 2523 spectrum 1 weight 0.10000E+01 volume 0.30897E-02 ppm1 2.194 ppm2 7.892 CV 1 ASSI { 2524} (( segid " " and resid 61 and name HB )) (( segid " " and resid 62 and name HN )) 2.800 1.000 1.000 peak 2524 spectrum 1 weight 0.10000E+01 volume 0.19796E-02 ppm1 2.193 ppm2 7.827 CV 1 ASSI { 2525} (( segid " " and resid 61 and name HB )) ( segid " " and resid 61 and name HG2%) 2.100 0.600 0.600 peak 2525 spectrum 1 weight 0.10000E+01 volume 0.78773E-02 ppm1 2.193 ppm2 0.829 CV 1 ASSI { 2527} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 41 and name HA2 )) 2.900 1.100 1.100 peak 2527 spectrum 1 weight 0.10000E+01 volume 0.11632E-02 ppm1 0.811 ppm2 3.489 CV 1 ASSI { 2528} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 41 and name HA1 )) 3.800 1.800 1.800 peak 2528 spectrum 1 weight 0.10000E+01 volume 0.10300E-02 ppm1 0.812 ppm2 3.797 CV 1 ASSI { 2529} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 58 and name HA )) 3.600 1.600 1.600 peak 2529 spectrum 1 weight 0.10000E+01 volume 0.22410E-02 ppm1 0.810 ppm2 3.700 CV 1 ASSI { 2530} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 61 and name HB )) 2.200 0.600 0.600 peak 2530 spectrum 1 weight 0.10000E+01 volume 0.51964E-02 ppm1 0.811 ppm2 2.196 CV 1 ASSI { 2532} ( segid " " and resid 61 and name HG1%) (( segid " " and resid 62 and name HB1 )) 3.800 1.800 1.800 peak 2532 spectrum 1 weight 0.10000E+01 volume 0.13764E-02 ppm1 0.810 ppm2 1.872 CV 1 ASSI { 2535} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 61 and name HA )) 2.400 0.700 0.700 peak 2535 spectrum 1 weight 0.10000E+01 volume 0.50204E-02 ppm1 0.845 ppm2 3.400 CV 1 ASSI { 2536} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 58 and name HA )) 3.200 1.200 1.200 peak 2536 spectrum 1 weight 0.10000E+01 volume 0.31143E-02 ppm1 0.845 ppm2 3.697 CV 1 ASSI { 2537} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 63 and name HN )) 5.200 3.400 0.800 peak 2537 spectrum 1 weight 0.10000E+01 volume 0.24886E-03 ppm1 0.847 ppm2 6.836 CV 1 ASSI { 2543} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 60 and name HB1 )) 3.100 1.200 1.200 peak 2543 spectrum 1 weight 0.10000E+01 volume 0.33836E-02 ppm1 0.844 ppm2 2.089 CV 1 ASSI { 2546} ( segid " " and resid 61 and name HG2%) (( segid " " and resid 57 and name HD1 )) 2.000 2.000 4.000 peak 2546 spectrum 1 weight 0.10000E+01 volume 0.43014E-02 ppm1 0.844 ppm2 3.830 CV 1 ASSI { 2548} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG1 )) 2.600 0.800 0.800 peak 2548 spectrum 1 weight 0.10000E+01 volume 0.26750E-02 ppm1 3.703 ppm2 1.759 CV 1 OR { 2548} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HB2 )) ASSI { 2549} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HG2 )) 2.700 0.900 0.900 peak 2549 spectrum 1 weight 0.10000E+01 volume 0.20223E-02 ppm1 3.703 ppm2 1.476 CV 1 ASSI { 2550} (( segid " " and resid 62 and name HA )) (( segid " " and resid 58 and name HG12)) 2.500 2.500 3.500 peak 2550 spectrum 1 weight 0.10000E+01 volume 0.10966E-02 ppm1 3.704 ppm2 1.383 CV 1 ASSI { 2551} (( segid " " and resid 62 and name HA )) (( segid " " and resid 31 and name HB2 )) 3.600 1.600 1.600 peak 2551 spectrum 1 weight 0.10000E+01 volume 0.64733E-03 ppm1 3.701 ppm2 1.287 CV 1 ASSI { 2554} (( segid " " and resid 62 and name HA )) (( segid " " and resid 62 and name HN )) 2.600 0.900 0.900 peak 2554 spectrum 1 weight 0.10000E+01 volume 0.19573E-02 ppm1 3.703 ppm2 7.824 CV 1 ASSI { 2555} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HE22)) 4.600 2.700 1.400 peak 2555 spectrum 1 weight 0.10000E+01 volume 0.42306E-03 ppm1 3.703 ppm2 7.392 CV 1 ASSI { 2556} (( segid " " and resid 62 and name HA )) (( segid " " and resid 32 and name HN )) 3.300 1.400 1.400 peak 2556 spectrum 1 weight 0.10000E+01 volume 0.80020E-03 ppm1 3.704 ppm2 8.474 CV 1 ASSI { 2559} (( segid " " and resid 62 and name HB1 )) ( segid " " and resid 32 and name HB% ) 3.500 1.500 1.500 peak 2559 spectrum 1 weight 0.10000E+01 volume 0.74718E-03 ppm1 1.864 ppm2 1.381 CV 1 ASSI { 2563} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HA )) 3.400 1.400 1.400 peak 2563 spectrum 1 weight 0.10000E+01 volume 0.67366E-03 ppm1 1.859 ppm2 3.703 CV 1 ASSI { 2569} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 62 and name HN )) 3.400 1.500 1.500 peak 2569 spectrum 1 weight 0.10000E+01 volume 0.70191E-03 ppm1 1.860 ppm2 7.825 CV 1 ASSI { 2571} (( segid " " and resid 62 and name HB1 )) (( segid " " and resid 63 and name HN )) 3.900 1.900 1.900 peak 2571 spectrum 1 weight 0.10000E+01 volume 0.29243E-03 ppm1 1.863 ppm2 6.834 CV 1 ASSI { 2575} (( segid " " and resid 62 and name HB2 )) ( segid " " and resid 36 and name HD2%) 4.300 2.300 1.700 peak 2575 spectrum 1 weight 0.10000E+01 volume 0.34691E-03 ppm1 1.766 ppm2 0.736 CV 1 ASSI { 2576} (( segid " " and resid 62 and name HA )) (( segid " " and resid 63 and name HN )) 3.200 1.300 1.300 peak 2576 spectrum 1 weight 0.10000E+01 volume 0.68125E-03 ppm1 3.705 ppm2 6.835 CV 1 ASSI { 2577} (( segid " " and resid 62 and name HD1 )) (( segid " " and resid 62 and name HN )) 4.700 2.700 1.300 peak 2577 spectrum 1 weight 0.10000E+01 volume 0.57930E-03 ppm1 3.146 ppm2 7.827 CV 1 ASSI { 2578} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HN )) 4.400 2.400 1.600 peak 2578 spectrum 1 weight 0.10000E+01 volume 0.52915E-03 ppm1 3.061 ppm2 7.826 CV 1 ASSI { 2581} (( segid " " and resid 62 and name HD2 )) (( segid " " and resid 62 and name HA )) 5.100 3.200 0.900 peak 2581 spectrum 1 weight 0.10000E+01 volume 0.31676E-03 ppm1 3.061 ppm2 3.719 CV 1 ASSI { 2583} (( segid " " and resid 62 and name HD2 )) ( segid " " and resid 32 and name HB% ) 4.800 2.900 1.200 peak 2583 spectrum 1 weight 0.10000E+01 volume 0.29796E-03 ppm1 3.066 ppm2 1.383 CV 1 ASSI { 2585} (( segid " " and resid 62 and name HD2 )) ( segid " " and resid 36 and name HD2%) 4.400 2.400 1.600 peak 2585 spectrum 1 weight 0.10000E+01 volume 0.41044E-03 ppm1 3.068 ppm2 0.735 CV 1 ASSI { 2586} (( segid " " and resid 62 and name HD1 )) ( segid " " and resid 58 and name HG2%) 4.100 2.100 1.900 peak 2586 spectrum 1 weight 0.10000E+01 volume 0.68599E-03 ppm1 3.143 ppm2 0.879 CV 1 ASSI { 2589} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HA )) 3.000 1.100 1.100 peak 2589 spectrum 1 weight 0.10000E+01 volume 0.11016E-02 ppm1 1.748 ppm2 3.703 CV 1 ASSI { 2591} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HD1 )) 3.500 1.500 1.500 peak 2591 spectrum 1 weight 0.10000E+01 volume 0.78665E-03 ppm1 1.749 ppm2 3.149 CV 1 ASSI { 2592} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HD2 )) 3.000 1.100 1.100 peak 2592 spectrum 1 weight 0.10000E+01 volume 0.82465E-03 ppm1 1.749 ppm2 3.058 CV 1 ASSI { 2593} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HD1 )) 2.800 1.000 1.000 peak 2593 spectrum 1 weight 0.10000E+01 volume 0.91868E-03 ppm1 1.470 ppm2 3.152 CV 1 ASSI { 2594} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HD2 )) 3.500 1.500 1.500 peak 2594 spectrum 1 weight 0.10000E+01 volume 0.80839E-03 ppm1 1.476 ppm2 3.063 CV 1 ASSI { 2595} (( segid " " and resid 62 and name HG1 )) (( segid " " and resid 62 and name HN )) 3.300 1.400 1.400 peak 2595 spectrum 1 weight 0.10000E+01 volume 0.13871E-02 ppm1 1.748 ppm2 7.826 CV 1 ASSI { 2596} (( segid " " and resid 62 and name HG2 )) (( segid " " and resid 62 and name HN )) 3.800 1.800 1.800 peak 2596 spectrum 1 weight 0.10000E+01 volume 0.10859E-02 ppm1 1.474 ppm2 7.827 CV 1 ASSI { 2597} (( segid " " and resid 63 and name HA )) ( segid " " and resid 65 and name HG2%) 4.500 2.600 1.500 peak 2597 spectrum 1 weight 0.10000E+01 volume 0.18487E-03 ppm1 4.371 ppm2 0.968 CV 1 ASSI { 2598} (( segid " " and resid 63 and name HA )) ( segid " " and resid 32 and name HB% ) 3.600 1.600 1.600 peak 2598 spectrum 1 weight 0.10000E+01 volume 0.13512E-03 ppm1 4.377 ppm2 1.392 CV 1 ASSI { 2599} (( segid " " and resid 63 and name HA )) ( segid " " and resid 64 and name HD2%) 5.700 4.100 0.300 peak 2599 spectrum 1 weight 0.10000E+01 volume 0.14801E-03 ppm1 4.371 ppm2 0.789 CV 1 OR { 2599} (( segid " " and resid 63 and name HA )) ( segid " " and resid 64 and name HD1%) ASSI { 2602} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 65 and name HN )) 2.900 1.100 1.100 peak 2602 spectrum 1 weight 0.10000E+01 volume 0.72945E-03 ppm1 2.027 ppm2 6.391 CV 1 ASSI { 2603} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 65 and name HN )) 3.500 1.500 1.500 peak 2603 spectrum 1 weight 0.10000E+01 volume 0.13128E-02 ppm1 1.121 ppm2 6.392 CV 1 ASSI { 2604} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 64 and name HN )) 3.200 1.300 1.300 peak 2604 spectrum 1 weight 0.10000E+01 volume 0.23747E-02 ppm1 2.026 ppm2 7.390 CV 1 ASSI { 2605} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 64 and name HN )) 2.700 0.900 0.900 peak 2605 spectrum 1 weight 0.10000E+01 volume 0.13717E-02 ppm1 1.119 ppm2 7.389 CV 1 ASSI { 2609} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 31 and name HB1 )) 4.400 2.400 1.600 peak 2609 spectrum 1 weight 0.10000E+01 volume 0.12538E-02 ppm1 2.024 ppm2 1.881 CV 1 ASSI { 2613} (( segid " " and resid 64 and name HB2 )) (( segid " " and resid 31 and name HB1 )) 3.500 1.500 1.500 peak 2613 spectrum 1 weight 0.10000E+01 volume 0.10953E-02 ppm1 1.123 ppm2 1.880 CV 1 ASSI { 2615} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 64 and name HD1%) 2.500 0.800 0.800 peak 2615 spectrum 1 weight 0.10000E+01 volume 0.43326E-02 ppm1 1.118 ppm2 0.791 CV 1 OR { 2615} (( segid " " and resid 64 and name HB2 )) ( segid " " and resid 64 and name HD2%) ASSI { 2617} (( segid " " and resid 64 and name HB1 )) (( segid " " and resid 61 and name HA )) 5.500 3.700 0.500 peak 2617 spectrum 1 weight 0.10000E+01 volume 0.31865E-03 ppm1 2.020 ppm2 3.403 CV 1 ASSI { 2619} (( segid " " and resid 64 and name HA )) (( segid " " and resid 65 and name HN )) 2.100 0.500 0.500 peak 2619 spectrum 1 weight 0.10000E+01 volume 0.55078E-02 ppm1 4.172 ppm2 6.391 CV 1 ASSI { 2620} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HN )) 2.600 0.900 0.900 peak 2620 spectrum 1 weight 0.10000E+01 volume 0.18676E-02 ppm1 4.172 ppm2 7.387 CV 1 ASSI { 2621} (( segid " " and resid 64 and name HA )) (( segid " " and resid 63 and name HE21)) 4.900 3.000 1.100 peak 2621 spectrum 1 weight 0.10000E+01 volume 0.26077E-03 ppm1 4.174 ppm2 6.838 CV 1 ASSI { 2622} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HD2%) 2.100 0.500 0.500 peak 2622 spectrum 1 weight 0.10000E+01 volume 0.91388E-02 ppm1 4.171 ppm2 0.792 CV 1 OR { 2622} (( segid " " and resid 64 and name HA )) ( segid " " and resid 64 and name HD1%) ASSI { 2623} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 2623 spectrum 1 weight 0.10000E+01 volume 0.23706E-02 ppm1 4.173 ppm2 1.123 CV 1 ASSI { 2626} (( segid " " and resid 64 and name HA )) (( segid " " and resid 68 and name HD1 )) 3.000 1.100 1.100 peak 2626 spectrum 1 weight 0.10000E+01 volume 0.88632E-03 ppm1 4.174 ppm2 1.697 CV 1 OR { 2626} (( segid " " and resid 64 and name HA )) (( segid " " and resid 68 and name HD2 )) ASSI { 2628} (( segid " " and resid 64 and name HA )) (( segid " " and resid 64 and name HB1 )) 2.200 0.600 0.600 peak 2628 spectrum 1 weight 0.10000E+01 volume 0.32804E-02 ppm1 4.170 ppm2 2.024 CV 1 ASSI { 2631} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 61 and name HA )) 3.200 1.300 1.300 peak 2631 spectrum 1 weight 0.10000E+01 volume 0.13049E-02 ppm1 0.789 ppm2 3.398 CV 1 OR { 2631} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 61 and name HA )) ASSI { 2633} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 68 and name HD1 )) 2.900 1.000 1.000 peak 2633 spectrum 1 weight 0.10000E+01 volume 0.23717E-02 ppm1 0.789 ppm2 1.701 CV 1 OR { 2633} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 68 and name HD2 )) ASSI { 2635} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HB1 )) 2.100 0.500 0.500 peak 2635 spectrum 1 weight 0.10000E+01 volume 0.83749E-02 ppm1 0.789 ppm2 2.023 CV 1 OR { 2635} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HB1 )) ASSI { 2637} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 68 and name HB1 )) 2.700 0.900 0.900 peak 2637 spectrum 1 weight 0.10000E+01 volume 0.57543E-02 ppm1 0.789 ppm2 1.834 CV 1 OR { 2637} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 68 and name HB2 )) OR { 2637} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 68 and name HB1 )) ASSI { 2640} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 64 and name HN )) 3.400 1.500 1.500 peak 2640 spectrum 1 weight 0.10000E+01 volume 0.20757E-02 ppm1 0.789 ppm2 7.391 CV 1 OR { 2640} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 64 and name HN )) ASSI { 2641} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 65 and name HN )) 3.600 1.600 1.600 peak 2641 spectrum 1 weight 0.10000E+01 volume 0.20742E-02 ppm1 0.789 ppm2 6.391 CV 1 OR { 2641} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 65 and name HN )) ASSI { 2642} ( segid " " and resid 64 and name HD2%) (( segid " " and resid 69 and name HN )) 4.300 2.300 1.700 peak 2642 spectrum 1 weight 0.10000E+01 volume 0.77309E-03 ppm1 0.788 ppm2 7.912 CV 1 OR { 2642} ( segid " " and resid 64 and name HD1%) (( segid " " and resid 69 and name HN )) ASSI { 2643} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HA )) 3.600 1.600 1.600 peak 2643 spectrum 1 weight 0.10000E+01 volume 0.55707E-03 ppm1 2.018 ppm2 4.170 CV 1 ASSI { 2646} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HB2 )) 2.800 1.000 1.000 peak 2646 spectrum 1 weight 0.10000E+01 volume 0.87363E-03 ppm1 2.021 ppm2 1.121 CV 1 ASSI { 2647} (( segid " " and resid 64 and name HG )) ( segid " " and resid 64 and name HD1%) 1.900 0.400 0.400 peak 2647 spectrum 1 weight 0.10000E+01 volume 0.12201E-01 ppm1 2.020 ppm2 0.790 CV 1 OR { 2647} (( segid " " and resid 64 and name HG )) ( segid " " and resid 64 and name HD2%) ASSI { 2648} (( segid " " and resid 64 and name HG )) (( segid " " and resid 64 and name HN )) 2.500 0.800 0.800 peak 2648 spectrum 1 weight 0.10000E+01 volume 0.13824E-02 ppm1 2.020 ppm2 7.392 CV 1 ASSI { 2649} ( segid " " and resid 66 and name HD2%) (( segid " " and resid 69 and name HN )) 4.700 2.700 1.300 peak 2649 spectrum 1 weight 0.10000E+01 volume 0.42729E-03 ppm1 0.735 ppm2 7.902 CV 1 ASSI { 2650} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 67 and name HA )) 4.200 2.200 1.800 peak 2650 spectrum 1 weight 0.10000E+01 volume 0.20986E-03 ppm1 2.988 ppm2 3.805 CV 1 ASSI { 2652} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 68 and name HA )) 3.800 1.800 1.800 peak 2652 spectrum 1 weight 0.10000E+01 volume 0.19257E-02 ppm1 1.698 ppm2 4.049 CV 1 OR { 2652} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 68 and name HA )) ASSI { 2653} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 71 and name HB2 )) 4.800 2.900 1.200 peak 2653 spectrum 1 weight 0.10000E+01 volume 0.54841E-03 ppm1 1.703 ppm2 2.126 CV 1 OR { 2653} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 71 and name HB2 )) ASSI { 2657} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 65 and name HN )) 3.500 1.500 1.500 peak 2657 spectrum 1 weight 0.10000E+01 volume 0.84606E-03 ppm1 1.696 ppm2 6.390 CV 1 OR { 2657} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 65 and name HN )) ASSI { 2658} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 69 and name HN )) 3.700 1.700 1.700 peak 2658 spectrum 1 weight 0.10000E+01 volume 0.76133E-03 ppm1 1.697 ppm2 7.913 CV 1 ASSI { 2661} (( segid " " and resid 68 and name HG1 )) (( segid " " and resid 71 and name HB2 )) 4.000 2.000 2.000 peak 2661 spectrum 1 weight 0.10000E+01 volume 0.39451E-03 ppm1 1.502 ppm2 2.130 CV 1 OR { 2661} (( segid " " and resid 68 and name HG2 )) (( segid " " and resid 71 and name HB2 )) ASSI { 2663} (( segid " " and resid 68 and name HG2 )) ( segid " " and resid 64 and name HD2%) 3.000 1.100 1.100 peak 2663 spectrum 1 weight 0.10000E+01 volume 0.27878E-02 ppm1 1.503 ppm2 0.794 CV 1 OR { 2663} (( segid " " and resid 68 and name HG1 )) ( segid " " and resid 64 and name HD2%) ASSI { 2669} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 69 and name HN )) 4.800 2.900 1.200 peak 2669 spectrum 1 weight 0.10000E+01 volume 0.36661E-03 ppm1 2.929 ppm2 7.909 CV 1 OR { 2669} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 69 and name HN )) ASSI { 2670} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 64 and name HA )) 4.700 2.800 1.300 peak 2670 spectrum 1 weight 0.10000E+01 volume 0.28254E-03 ppm1 2.920 ppm2 4.162 CV 1 OR { 2670} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 64 and name HA )) ASSI { 2671} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HB2 )) 3.600 1.600 1.600 peak 2671 spectrum 1 weight 0.10000E+01 volume 0.12724E-02 ppm1 2.929 ppm2 1.837 CV 1 OR { 2671} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HB1 )) OR { 2671} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HB2 )) OR { 2671} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HB1 )) ASSI { 2672} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HG1 )) 2.500 0.800 0.800 peak 2672 spectrum 1 weight 0.10000E+01 volume 0.43320E-02 ppm1 2.931 ppm2 1.505 CV 1 OR { 2672} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HG2 )) OR { 2672} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HG1 )) OR { 2672} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HG2 )) ASSI { 2673} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HD1 )) 2.200 0.600 0.600 peak 2673 spectrum 1 weight 0.10000E+01 volume 0.67972E-02 ppm1 2.927 ppm2 1.700 CV 1 OR { 2673} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HD2 )) OR { 2673} (( segid " " and resid 68 and name HE2 )) (( segid " " and resid 68 and name HD1 )) OR { 2673} (( segid " " and resid 68 and name HE1 )) (( segid " " and resid 68 and name HD2 )) ASSI { 2674} (( segid " " and resid 68 and name HE1 )) ( segid " " and resid 64 and name HD2%) 3.700 1.700 1.700 peak 2674 spectrum 1 weight 0.10000E+01 volume 0.97747E-03 ppm1 2.926 ppm2 0.807 CV 1 OR { 2674} (( segid " " and resid 68 and name HE2 )) ( segid " " and resid 64 and name HD2%) ASSI { 2675} (( segid " " and resid 68 and name HE2 )) ( segid " " and resid 65 and name HG2%) 2.700 2.700 3.300 peak 2675 spectrum 1 weight 0.10000E+01 volume 0.68569E-03 ppm1 2.929 ppm2 0.961 CV 1 OR { 2675} (( segid " " and resid 68 and name HE1 )) ( segid " " and resid 65 and name HG2%) ASSI { 2677} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB2 )) 2.700 0.900 0.900 peak 2677 spectrum 1 weight 0.10000E+01 volume 0.23526E-02 ppm1 4.044 ppm2 1.148 CV 1 ASSI { 2678} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HB1 )) 2.300 0.700 0.700 peak 2678 spectrum 1 weight 0.10000E+01 volume 0.35609E-02 ppm1 4.043 ppm2 2.027 CV 1 ASSI { 2679} (( segid " " and resid 69 and name HA )) ( segid " " and resid 69 and name HD1%) 2.000 0.500 0.500 peak 2679 spectrum 1 weight 0.10000E+01 volume 0.83998E-02 ppm1 4.044 ppm2 0.811 CV 1 ASSI { 2680} (( segid " " and resid 69 and name HA )) (( segid " " and resid 72 and name HN )) 3.300 1.300 1.300 peak 2680 spectrum 1 weight 0.10000E+01 volume 0.55872E-03 ppm1 4.048 ppm2 8.001 CV 1 ASSI { 2681} (( segid " " and resid 69 and name HA )) (( segid " " and resid 69 and name HN )) 2.600 0.900 0.900 peak 2681 spectrum 1 weight 0.10000E+01 volume 0.20186E-02 ppm1 4.045 ppm2 7.914 CV 1 ASSI { 2682} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 70 and name HN )) 3.000 1.100 1.100 peak 2682 spectrum 1 weight 0.10000E+01 volume 0.11264E-02 ppm1 2.033 ppm2 8.326 CV 1 ASSI { 2683} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HN )) 2.400 0.700 0.700 peak 2683 spectrum 1 weight 0.10000E+01 volume 0.17838E-02 ppm1 1.144 ppm2 7.918 CV 1 ASSI { 2684} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 70 and name HN )) 2.800 1.000 1.000 peak 2684 spectrum 1 weight 0.10000E+01 volume 0.81034E-03 ppm1 1.146 ppm2 8.325 CV 1 ASSI { 2688} (( segid " " and resid 69 and name HB2 )) (( segid " " and resid 69 and name HG )) 2.700 0.900 0.900 peak 2688 spectrum 1 weight 0.10000E+01 volume 0.99885E-03 ppm1 1.146 ppm2 1.858 CV 1 ASSI { 2691} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HG )) 2.600 0.800 0.800 peak 2691 spectrum 1 weight 0.10000E+01 volume 0.13812E-02 ppm1 2.033 ppm2 1.859 CV 1 ASSI { 2694} (( segid " " and resid 69 and name HB2 )) ( segid " " and resid 69 and name HD2%) 2.200 0.600 0.600 peak 2694 spectrum 1 weight 0.10000E+01 volume 0.51106E-02 ppm1 1.147 ppm2 0.816 CV 1 ASSI { 2696} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HA )) 3.500 1.500 1.500 peak 2696 spectrum 1 weight 0.10000E+01 volume 0.16899E-02 ppm1 1.856 ppm2 4.040 CV 1 ASSI { 2697} (( segid " " and resid 69 and name HG )) (( segid " " and resid 69 and name HN )) 3.600 1.600 1.600 peak 2697 spectrum 1 weight 0.10000E+01 volume 0.16280E-02 ppm1 1.857 ppm2 7.921 CV 1 ASSI { 2699} (( segid " " and resid 69 and name HB1 )) (( segid " " and resid 69 and name HN )) 3.500 1.500 1.500 peak 2699 spectrum 1 weight 0.10000E+01 volume 0.16189E-02 ppm1 2.037 ppm2 7.917 CV 1 ASSI { 2701} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HA )) 2.300 0.700 0.700 peak 2701 spectrum 1 weight 0.10000E+01 volume 0.52318E-02 ppm1 0.816 ppm2 4.038 CV 1 ASSI { 2702} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 67 and name HD1 )) 4.000 2.000 2.000 peak 2702 spectrum 1 weight 0.10000E+01 volume 0.85122E-03 ppm1 0.816 ppm2 3.320 CV 1 ASSI { 2703} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HG )) 1.900 0.400 0.400 peak 2703 spectrum 1 weight 0.10000E+01 volume 0.10401E-01 ppm1 0.816 ppm2 1.863 CV 1 ASSI { 2704} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HB1 )) 2.900 1.000 1.000 peak 2704 spectrum 1 weight 0.10000E+01 volume 0.48050E-02 ppm1 0.815 ppm2 2.027 CV 1 ASSI { 2705} ( segid " " and resid 69 and name HD2%) ( segid " " and resid 13 and name HG2%) 3.300 1.300 1.300 peak 2705 spectrum 1 weight 0.10000E+01 volume 0.24849E-02 ppm1 0.821 ppm2 0.989 CV 1 ASSI { 2708} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 69 and name HN )) 2.300 0.700 0.700 peak 2708 spectrum 1 weight 0.10000E+01 volume 0.34949E-02 ppm1 0.816 ppm2 7.921 CV 1 ASSI { 2709} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 70 and name HN )) 4.200 2.200 1.800 peak 2709 spectrum 1 weight 0.10000E+01 volume 0.70830E-03 ppm1 0.816 ppm2 8.322 CV 1 ASSI { 2711} ( segid " " and resid 69 and name HD2%) (( segid " " and resid 65 and name HN )) 4.000 2.000 2.000 peak 2711 spectrum 1 weight 0.10000E+01 volume 0.40411E-03 ppm1 0.818 ppm2 6.400 CV 1 ASSI { 2713} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HG )) 2.100 0.600 0.600 peak 2713 spectrum 1 weight 0.10000E+01 volume 0.53275E-02 ppm1 0.810 ppm2 1.843 CV 1 ASSI { 2714} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 70 and name HN )) 4.900 3.000 1.100 peak 2714 spectrum 1 weight 0.10000E+01 volume 0.37966E-03 ppm1 0.809 ppm2 8.325 CV 1 ASSI { 2715} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HN )) 3.800 1.800 1.800 peak 2715 spectrum 1 weight 0.10000E+01 volume 0.19206E-02 ppm1 0.810 ppm2 7.918 CV 1 ASSI { 2716} ( segid " " and resid 69 and name HD1%) (( segid " " and resid 69 and name HB1 )) 2.500 0.800 0.800 peak 2716 spectrum 1 weight 0.10000E+01 volume 0.27382E-02 ppm1 0.812 ppm2 2.029 CV 1 ASSI { 2717} (( segid " " and resid 70 and name HA )) (( segid " " and resid 69 and name HB1 )) 4.100 2.100 1.900 peak 2717 spectrum 1 weight 0.10000E+01 volume 0.21690E-03 ppm1 3.888 ppm2 2.041 CV 1 ASSI { 2718} (( segid " " and resid 50 and name HA )) (( segid " " and resid 51 and name HN )) 3.900 1.900 1.900 peak 2718 spectrum 1 weight 0.10000E+01 volume 0.45944E-03 ppm1 4.093 ppm2 8.551 CV 1 ASSI { 2720} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HG2 )) 4.800 2.900 1.200 peak 2720 spectrum 1 weight 0.10000E+01 volume 0.46457E-03 ppm1 4.041 ppm2 1.508 CV 1 OR { 2720} (( segid " " and resid 71 and name HA )) (( segid " " and resid 68 and name HG1 )) ASSI { 2723} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 71 and name HA )) 3.200 1.300 1.300 peak 2723 spectrum 1 weight 0.10000E+01 volume 0.20324E-02 ppm1 2.197 ppm2 4.039 CV 1 ASSI { 2724} (( segid " " and resid 71 and name HG2 )) (( segid " " and resid 72 and name HN )) 3.300 1.400 1.400 peak 2724 spectrum 1 weight 0.10000E+01 volume 0.22915E-02 ppm1 2.199 ppm2 7.986 CV 1 ASSI { 2725} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 72 and name HN )) 3.200 3.200 2.800 peak 2725 spectrum 1 weight 0.10000E+01 volume 0.30699E-02 ppm1 2.454 ppm2 7.985 CV 1 ASSI { 2726} (( segid " " and resid 71 and name HG1 )) (( segid " " and resid 71 and name HA )) 2.900 1.000 1.000 peak 2726 spectrum 1 weight 0.10000E+01 volume 0.24638E-02 ppm1 2.455 ppm2 4.039 CV 1 ASSI { 2728} (( segid " " and resid 71 and name HA )) (( segid " " and resid 70 and name HN )) 5.000 3.100 1.000 peak 2728 spectrum 1 weight 0.10000E+01 volume 0.30450E-03 ppm1 4.036 ppm2 8.325 CV 1 ASSI { 2731} (( segid " " and resid 12 and name HA )) (( segid " " and resid 15 and name HN )) 3.500 1.600 1.600 peak 2731 spectrum 1 weight 0.10000E+01 volume 0.98089E-03 ppm1 4.101 ppm2 8.036 CV 1 ASSI { 2732} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HA )) 4.000 2.000 2.000 peak 2732 spectrum 1 weight 0.10000E+01 volume 0.60617E-03 ppm1 1.473 ppm2 3.558 CV 1 ASSI { 2733} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HB1 )) 4.300 2.300 1.700 peak 2733 spectrum 1 weight 0.10000E+01 volume 0.70125E-03 ppm1 1.474 ppm2 3.263 CV 1 OR { 2733} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HB2 )) ASSI { 2734} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 7 and name HD2 )) 2.900 1.000 1.000 peak 2734 spectrum 1 weight 0.10000E+01 volume 0.10104E-02 ppm1 1.474 ppm2 3.118 CV 1 ASSI { 2735} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HA )) 2.200 0.600 0.600 peak 2735 spectrum 1 weight 0.10000E+01 volume 0.11408E-01 ppm1 1.473 ppm2 4.101 CV 1 ASSI { 2736} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 9 and name HA )) 2.400 0.700 0.700 peak 2736 spectrum 1 weight 0.10000E+01 volume 0.50339E-02 ppm1 1.473 ppm2 4.024 CV 1 ASSI { 2737} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 12 and name HN )) 2.200 0.600 0.600 peak 2737 spectrum 1 weight 0.10000E+01 volume 0.89702E-02 ppm1 1.474 ppm2 8.151 CV 1 ASSI { 2738} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HN )) 2.700 0.900 0.900 peak 2738 spectrum 1 weight 0.10000E+01 volume 0.50591E-02 ppm1 1.474 ppm2 8.257 CV 1 ASSI { 2739} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 10 and name HN )) 4.500 2.500 1.500 peak 2739 spectrum 1 weight 0.10000E+01 volume 0.29577E-03 ppm1 1.472 ppm2 7.900 CV 1 ASSI { 2740} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HN )) 3.800 1.800 1.800 peak 2740 spectrum 1 weight 0.10000E+01 volume 0.89768E-03 ppm1 1.475 ppm2 7.783 CV 1 ASSI { 2741} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 14 and name HN )) 4.700 2.800 1.300 peak 2741 spectrum 1 weight 0.10000E+01 volume 0.72576E-03 ppm1 1.475 ppm2 8.819 CV 1 ASSI { 2742} (( segid " " and resid 12 and name HA )) (( segid " " and resid 12 and name HN )) 3.000 1.100 1.100 peak 2742 spectrum 1 weight 0.10000E+01 volume 0.15681E-02 ppm1 4.100 ppm2 8.153 CV 1 ASSI { 2744} (( segid " " and resid 12 and name HA )) (( segid " " and resid 11 and name HN )) 5.000 3.100 1.000 peak 2744 spectrum 1 weight 0.10000E+01 volume 0.25205E-03 ppm1 4.103 ppm2 7.785 CV 1 ASSI { 2745} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 11 and name HA )) 4.700 2.700 1.300 peak 2745 spectrum 1 weight 0.10000E+01 volume 0.36430E-03 ppm1 1.474 ppm2 3.795 CV 1 ASSI { 2751} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 7 and name HB2 )) 2.500 2.500 3.500 peak 2751 spectrum 1 weight 0.10000E+01 volume 0.12243E-02 ppm1 1.473 ppm2 1.749 CV 1 ASSI { 2752} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 9 and name HD1%) 4.100 2.200 1.900 peak 2752 spectrum 1 weight 0.10000E+01 volume 0.84103E-03 ppm1 1.473 ppm2 0.578 CV 1 ASSI { 2757} ( segid " " and resid 12 and name HB% ) ( segid " " and resid 9 and name HD2%) 3.300 1.400 1.400 peak 2757 spectrum 1 weight 0.10000E+01 volume 0.22795E-02 ppm1 1.474 ppm2 0.702 CV 1 ASSI { 2761} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 15 and name HN )) 5.000 3.200 1.000 peak 2761 spectrum 1 weight 0.10000E+01 volume 0.27863E-03 ppm1 1.476 ppm2 8.044 CV 1 ASSI { 2762} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 9 and name HN )) 5.200 3.400 0.800 peak 2762 spectrum 1 weight 0.10000E+01 volume 0.17167E-03 ppm1 1.475 ppm2 8.481 CV 1 ASSI { 2763} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HA )) 2.900 1.100 1.100 peak 2763 spectrum 1 weight 0.10000E+01 volume 0.19783E-02 ppm1 1.979 ppm2 3.467 CV 1 ASSI { 2767} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HG )) 4.000 2.000 2.000 peak 2767 spectrum 1 weight 0.10000E+01 volume 0.79433E-03 ppm1 3.454 ppm2 1.808 CV 1 ASSI { 2768} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HG1%) 2.400 0.700 0.700 peak 2768 spectrum 1 weight 0.10000E+01 volume 0.43122E-02 ppm1 3.454 ppm2 0.725 CV 1 ASSI { 2769} (( segid " " and resid 44 and name HA )) ( segid " " and resid 44 and name HG2%) 2.500 0.800 0.800 peak 2769 spectrum 1 weight 0.10000E+01 volume 0.49790E-02 ppm1 3.454 ppm2 0.991 CV 1 ASSI { 2772} (( segid " " and resid 44 and name HA )) (( segid " " and resid 48 and name HN )) 4.100 2.100 1.900 peak 2772 spectrum 1 weight 0.10000E+01 volume 0.50687E-03 ppm1 3.452 ppm2 8.118 CV 1 ASSI { 2773} (( segid " " and resid 44 and name HA )) (( segid " " and resid 47 and name HN )) 3.200 1.300 1.300 peak 2773 spectrum 1 weight 0.10000E+01 volume 0.10626E-02 ppm1 3.454 ppm2 7.948 CV 1 ASSI { 2774} (( segid " " and resid 44 and name HA )) (( segid " " and resid 44 and name HN )) 2.700 0.900 0.900 peak 2774 spectrum 1 weight 0.10000E+01 volume 0.24429E-02 ppm1 3.453 ppm2 8.414 CV 1 ASSI { 2775} (( segid " " and resid 44 and name HB )) (( segid " " and resid 44 and name HN )) 2.300 0.700 0.700 peak 2775 spectrum 1 weight 0.10000E+01 volume 0.54454E-02 ppm1 1.979 ppm2 8.414 CV 1 ASSI { 2776} (( segid " " and resid 44 and name HB )) (( segid " " and resid 45 and name HE )) 4.100 2.100 1.900 peak 2776 spectrum 1 weight 0.10000E+01 volume 0.39337E-03 ppm1 1.983 ppm2 7.366 CV 1 ASSI { 2777} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HB )) 2.900 1.100 1.100 peak 2777 spectrum 1 weight 0.10000E+01 volume 0.20358E-02 ppm1 3.564 ppm2 2.258 CV 1 ASSI { 2778} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB1 )) 3.100 1.200 1.200 peak 2778 spectrum 1 weight 0.10000E+01 volume 0.20243E-02 ppm1 3.565 ppm2 2.102 CV 1 ASSI { 2781} (( segid " " and resid 42 and name HB )) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 2781 spectrum 1 weight 0.10000E+01 volume 0.14123E-02 ppm1 2.256 ppm2 4.179 CV 1 ASSI { 2782} (( segid " " and resid 42 and name HB )) (( segid " " and resid 42 and name HN )) 2.100 0.500 0.500 peak 2782 spectrum 1 weight 0.10000E+01 volume 0.76757E-02 ppm1 2.257 ppm2 7.376 CV 1 ASSI { 2783} (( segid " " and resid 42 and name HB )) (( segid " " and resid 44 and name HN )) 4.600 2.600 1.400 peak 2783 spectrum 1 weight 0.10000E+01 volume 0.37564E-03 ppm1 2.255 ppm2 8.409 CV 1 ASSI { 2786} (( segid " " and resid 42 and name HA )) (( segid " " and resid 42 and name HN )) 2.500 0.800 0.800 peak 2786 spectrum 1 weight 0.10000E+01 volume 0.32702E-02 ppm1 3.564 ppm2 7.378 CV 1 ASSI { 2787} (( segid " " and resid 42 and name HA )) (( segid " " and resid 44 and name HN )) 3.100 1.200 1.200 peak 2787 spectrum 1 weight 0.10000E+01 volume 0.15221E-02 ppm1 3.563 ppm2 8.413 CV 1 ASSI { 2788} (( segid " " and resid 42 and name HB )) ( segid " " and resid 42 and name HG1%) 2.200 0.600 0.600 peak 2788 spectrum 1 weight 0.10000E+01 volume 0.68641E-02 ppm1 2.258 ppm2 0.944 CV 1 ASSI { 2790} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 42 and name HA )) 2.800 1.000 1.000 peak 2790 spectrum 1 weight 0.10000E+01 volume 0.27806E-02 ppm1 0.939 ppm2 3.565 CV 1 ASSI { 2791} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 46 and name HG1 )) 3.100 1.200 1.200 peak 2791 spectrum 1 weight 0.10000E+01 volume 0.10998E-02 ppm1 0.938 ppm2 2.579 CV 1 ASSI { 2792} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 43 and name HG1 )) 4.200 2.200 1.800 peak 2792 spectrum 1 weight 0.10000E+01 volume 0.89313E-03 ppm1 0.937 ppm2 2.392 CV 1 ASSI { 2794} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 43 and name HB2 )) 4.100 2.100 1.900 peak 2794 spectrum 1 weight 0.10000E+01 volume 0.71946E-03 ppm1 0.939 ppm2 2.113 CV 1 ASSI { 2795} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 43 and name HA )) 3.400 1.400 1.400 peak 2795 spectrum 1 weight 0.10000E+01 volume 0.98140E-03 ppm1 0.938 ppm2 4.086 CV 1 ASSI { 2796} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 42 and name HN )) 3.600 1.600 1.600 peak 2796 spectrum 1 weight 0.10000E+01 volume 0.25661E-02 ppm1 0.939 ppm2 7.371 CV 1 ASSI { 2797} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 46 and name HE21)) 3.800 1.800 1.800 peak 2797 spectrum 1 weight 0.10000E+01 volume 0.47738E-03 ppm1 0.939 ppm2 6.846 CV 1 ASSI { 2798} ( segid " " and resid 42 and name HG1%) (( segid " " and resid 39 and name HG )) 4.700 2.800 1.300 peak 2798 spectrum 1 weight 0.10000E+01 volume 0.24856E-03 ppm1 0.941 ppm2 1.660 CV 1 ASSI { 2799} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HB )) 2.100 0.500 0.500 peak 2799 spectrum 1 weight 0.10000E+01 volume 0.10253E-01 ppm1 1.138 ppm2 2.258 CV 1 ASSI { 2800} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HA )) 2.300 0.700 0.700 peak 2800 spectrum 1 weight 0.10000E+01 volume 0.84472E-02 ppm1 1.138 ppm2 3.565 CV 1 ASSI { 2801} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 41 and name HA1 )) 3.900 1.900 1.900 peak 2801 spectrum 1 weight 0.10000E+01 volume 0.62324E-03 ppm1 1.137 ppm2 3.787 CV 1 ASSI { 2802} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 45 and name HD1 )) 4.100 2.200 1.900 peak 2802 spectrum 1 weight 0.10000E+01 volume 0.54616E-03 ppm1 1.136 ppm2 3.144 CV 1 OR { 2802} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 45 and name HD2 )) ASSI { 2803} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 43 and name HB2 )) 4.900 3.000 1.100 peak 2803 spectrum 1 weight 0.10000E+01 volume 0.69655E-03 ppm1 1.137 ppm2 2.108 CV 1 ASSI { 2804} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 39 and name HB1 )) 4.200 2.200 1.800 peak 2804 spectrum 1 weight 0.10000E+01 volume 0.82240E-03 ppm1 1.137 ppm2 1.861 CV 1 ASSI { 2805} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 39 and name HG )) 3.800 1.800 1.800 peak 2805 spectrum 1 weight 0.10000E+01 volume 0.71700E-03 ppm1 1.138 ppm2 1.653 CV 1 ASSI { 2807} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 39 and name HA )) 2.800 1.000 1.000 peak 2807 spectrum 1 weight 0.10000E+01 volume 0.33947E-02 ppm1 1.137 ppm2 4.175 CV 1 ASSI { 2808} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 43 and name HA )) 4.600 2.700 1.400 peak 2808 spectrum 1 weight 0.10000E+01 volume 0.85776E-03 ppm1 1.137 ppm2 4.082 CV 1 ASSI { 2809} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 38 and name HN )) 2.700 2.700 3.300 peak 2809 spectrum 1 weight 0.10000E+01 volume 0.79990E-03 ppm1 1.137 ppm2 8.375 CV 1 ASSI { 2811} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 42 and name HN )) 2.000 0.500 0.500 peak 2811 spectrum 1 weight 0.10000E+01 volume 0.10930E-01 ppm1 1.137 ppm2 7.380 CV 1 ASSI { 2812} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 46 and name HN )) 5.300 3.500 0.700 peak 2812 spectrum 1 weight 0.10000E+01 volume 0.23054E-03 ppm1 1.139 ppm2 8.110 CV 1 ASSI { 2813} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 39 and name HN )) 3.300 1.300 1.300 peak 2813 spectrum 1 weight 0.10000E+01 volume 0.23452E-03 ppm1 1.136 ppm2 7.800 CV 1 ASSI { 2816} ( segid " " and resid 42 and name HG2%) ( segid " " and resid 39 and name HD1%) 4.300 2.300 1.700 peak 2816 spectrum 1 weight 0.10000E+01 volume 0.73632E-03 ppm1 1.139 ppm2 0.864 CV 1 ASSI { 2817} (( segid " " and resid 13 and name HB )) (( segid " " and resid 14 and name HN )) 2.700 0.900 0.900 peak 2817 spectrum 1 weight 0.10000E+01 volume 0.12206E-02 ppm1 1.997 ppm2 8.820 CV 1 ASSI { 2818} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HA )) 3.300 1.400 1.400 peak 2818 spectrum 1 weight 0.10000E+01 volume 0.80569E-03 ppm1 1.998 ppm2 3.556 CV 1 ASSI { 2820} (( segid " " and resid 13 and name HB )) (( segid " " and resid 13 and name HN )) 2.400 0.700 0.700 peak 2820 spectrum 1 weight 0.10000E+01 volume 0.27149E-02 ppm1 1.998 ppm2 8.258 CV 1 ASSI { 2822} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HA )) 2.500 0.800 0.800 peak 2822 spectrum 1 weight 0.10000E+01 volume 0.42747E-02 ppm1 0.766 ppm2 3.556 CV 1 ASSI { 2824} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 9 and name HA )) 5.200 3.400 0.800 peak 2824 spectrum 1 weight 0.10000E+01 volume 0.31613E-03 ppm1 0.768 ppm2 4.042 CV 1 ASSI { 2825} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HN )) 3.600 1.600 1.600 peak 2825 spectrum 1 weight 0.10000E+01 volume 0.20991E-02 ppm1 0.767 ppm2 8.259 CV 1 ASSI { 2826} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 14 and name HN )) 3.300 1.300 1.300 peak 2826 spectrum 1 weight 0.10000E+01 volume 0.17004E-02 ppm1 0.767 ppm2 8.819 CV 1 ASSI { 2827} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 47 and name HN )) 4.100 2.100 1.900 peak 2827 spectrum 1 weight 0.10000E+01 volume 0.54217E-03 ppm1 0.721 ppm2 7.939 CV 1 ASSI { 2828} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 48 and name HN )) 3.800 1.800 1.800 peak 2828 spectrum 1 weight 0.10000E+01 volume 0.71550E-03 ppm1 0.721 ppm2 8.136 CV 1 ASSI { 2829} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HN )) 3.600 1.600 1.600 peak 2829 spectrum 1 weight 0.10000E+01 volume 0.31374E-02 ppm1 0.721 ppm2 8.412 CV 1 ASSI { 2830} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 17 and name HN )) 4.200 2.200 1.800 peak 2830 spectrum 1 weight 0.10000E+01 volume 0.37168E-03 ppm1 0.769 ppm2 7.701 CV 1 ASSI { 2831} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 16 and name HN )) 4.300 2.300 1.700 peak 2831 spectrum 1 weight 0.10000E+01 volume 0.46646E-03 ppm1 0.766 ppm2 7.597 CV 1 ASSI { 2833} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 43 and name HB1 )) 4.800 2.800 1.200 peak 2833 spectrum 1 weight 0.10000E+01 volume 0.37549E-03 ppm1 0.726 ppm2 2.204 CV 1 ASSI { 2835} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 44 and name HB )) 2.200 0.600 0.600 peak 2835 spectrum 1 weight 0.10000E+01 volume 0.69166E-02 ppm1 0.721 ppm2 1.983 CV 1 ASSI { 2836} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 47 and name HG11)) 3.500 1.600 1.600 peak 2836 spectrum 1 weight 0.10000E+01 volume 0.20252E-02 ppm1 0.721 ppm2 1.816 CV 1 ASSI { 2837} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 13 and name HB )) 2.100 0.600 0.600 peak 2837 spectrum 1 weight 0.10000E+01 volume 0.84388E-02 ppm1 0.767 ppm2 1.999 CV 1 ASSI { 2841} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 17 and name HG )) 3.000 1.100 1.100 peak 2841 spectrum 1 weight 0.10000E+01 volume 0.13959E-02 ppm1 0.767 ppm2 1.656 CV 1 ASSI { 2842} ( segid " " and resid 13 and name HG1%) (( segid " " and resid 17 and name HB2 )) 4.700 2.800 1.300 peak 2842 spectrum 1 weight 0.10000E+01 volume 0.20500E-03 ppm1 0.771 ppm2 1.548 CV 1 ASSI { 2843} ( segid " " and resid 13 and name HG1%) ( segid " " and resid 12 and name HB% ) 4.700 2.700 1.300 peak 2843 spectrum 1 weight 0.10000E+01 volume 0.67096E-03 ppm1 0.767 ppm2 1.463 CV 1 ASSI { 2853} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 48 and name HB2 )) 4.100 2.200 1.900 peak 2853 spectrum 1 weight 0.10000E+01 volume 0.28728E-03 ppm1 0.723 ppm2 1.592 CV 1 ASSI { 2854} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HA )) 2.500 0.800 0.800 peak 2854 spectrum 1 weight 0.10000E+01 volume 0.40831E-02 ppm1 1.728 ppm2 3.791 CV 1 OR { 2854} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HA )) ASSI { 2856} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HG1 )) 2.300 0.700 0.700 peak 2856 spectrum 1 weight 0.10000E+01 volume 0.52894E-02 ppm1 1.729 ppm2 1.483 CV 1 OR { 2856} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HG1 )) ASSI { 2857} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HB )) 4.900 3.000 1.100 peak 2857 spectrum 1 weight 0.10000E+01 volume 0.38431E-03 ppm1 1.726 ppm2 2.143 CV 1 OR { 2857} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HB )) ASSI { 2858} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 11 and name HN )) 2.400 0.700 0.700 peak 2858 spectrum 1 weight 0.10000E+01 volume 0.43173E-02 ppm1 1.725 ppm2 7.783 CV 1 OR { 2858} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 11 and name HN )) ASSI { 2861} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 12 and name HN )) 3.000 1.200 1.200 peak 2861 spectrum 1 weight 0.10000E+01 volume 0.16934E-02 ppm1 1.725 ppm2 8.149 CV 1 OR { 2861} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 12 and name HN )) ASSI { 2864} (( segid " " and resid 11 and name HB1 )) (( segid " " and resid 10 and name HN )) 4.700 2.800 1.300 peak 2864 spectrum 1 weight 0.10000E+01 volume 0.47288E-03 ppm1 1.729 ppm2 7.903 CV 1 OR { 2864} (( segid " " and resid 11 and name HB2 )) (( segid " " and resid 10 and name HN )) ASSI { 2865} (( segid " " and resid 11 and name HE2 )) (( segid " " and resid 11 and name HG2 )) 2.800 1.000 1.000 peak 2865 spectrum 1 weight 0.10000E+01 volume 0.25986E-02 ppm1 2.940 ppm2 1.257 CV 1 OR { 2865} (( segid " " and resid 11 and name HE1 )) (( segid " " and resid 11 and name HG2 )) ASSI { 2867} ( segid " " and resid 12 and name HB% ) (( segid " " and resid 13 and name HB )) 4.000 2.000 2.000 peak 2867 spectrum 1 weight 0.10000E+01 volume 0.98689E-03 ppm1 1.473 ppm2 1.997 CV 1 ASSI { 2872} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HA )) 2.000 0.500 0.500 peak 2872 spectrum 1 weight 0.10000E+01 volume 0.10572E-01 ppm1 1.420 ppm2 3.837 CV 1 ASSI { 2873} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HA )) 3.500 1.500 1.500 peak 2873 spectrum 1 weight 0.10000E+01 volume 0.97321E-03 ppm1 1.420 ppm2 4.292 CV 1 ASSI { 2874} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HB2 )) 3.900 1.900 1.900 peak 2874 spectrum 1 weight 0.10000E+01 volume 0.99016E-03 ppm1 1.421 ppm2 3.262 CV 1 OR { 2874} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HB1 )) ASSI { 2876} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HB1 )) 3.900 1.900 1.900 peak 2876 spectrum 1 weight 0.10000E+01 volume 0.18281E-02 ppm1 3.844 ppm2 1.815 CV 1 ASSI { 2877} (( segid " " and resid 14 and name HA )) (( segid " " and resid 19 and name HB )) 3.500 1.500 1.500 peak 2877 spectrum 1 weight 0.10000E+01 volume 0.19851E-02 ppm1 3.845 ppm2 1.569 CV 1 ASSI { 2878} (( segid " " and resid 14 and name HA )) (( segid " " and resid 19 and name HG12)) 4.500 2.500 1.500 peak 2878 spectrum 1 weight 0.10000E+01 volume 0.49706E-03 ppm1 3.849 ppm2 1.009 CV 1 ASSI { 2880} (( segid " " and resid 14 and name HA )) ( segid " " and resid 13 and name HG1%) 2.500 0.800 0.800 peak 2880 spectrum 1 weight 0.10000E+01 volume 0.43395E-02 ppm1 3.844 ppm2 0.760 CV 1 ASSI { 2881} (( segid " " and resid 14 and name HA )) ( segid " " and resid 19 and name HG2%) 4.400 2.400 1.600 peak 2881 spectrum 1 weight 0.10000E+01 volume 0.13845E-02 ppm1 3.843 ppm2 0.683 CV 1 ASSI { 2882} (( segid " " and resid 14 and name HA )) (( segid " " and resid 14 and name HN )) 2.500 0.800 0.800 peak 2882 spectrum 1 weight 0.10000E+01 volume 0.28638E-02 ppm1 3.845 ppm2 8.822 CV 1 ASSI { 2883} (( segid " " and resid 14 and name HA )) (( segid " " and resid 15 and name HN )) 3.100 1.200 1.200 peak 2883 spectrum 1 weight 0.10000E+01 volume 0.12949E-02 ppm1 3.846 ppm2 8.040 CV 1 ASSI { 2884} (( segid " " and resid 14 and name HA )) (( segid " " and resid 17 and name HN )) 3.000 1.100 1.100 peak 2884 spectrum 1 weight 0.10000E+01 volume 0.11371E-02 ppm1 3.846 ppm2 7.708 CV 1 ASSI { 2885} (( segid " " and resid 14 and name HA )) (( segid " " and resid 16 and name HN )) 3.900 1.900 1.900 peak 2885 spectrum 1 weight 0.10000E+01 volume 0.24452E-03 ppm1 3.844 ppm2 7.594 CV 1 ASSI { 2886} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 11 and name HN )) 2.700 2.700 3.300 peak 2886 spectrum 1 weight 0.10000E+01 volume 0.70947E-03 ppm1 1.419 ppm2 7.778 CV 1 ASSI { 2887} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 17 and name HN )) 4.300 2.300 1.700 peak 2887 spectrum 1 weight 0.10000E+01 volume 0.49304E-03 ppm1 1.420 ppm2 7.709 CV 1 ASSI { 2888} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 16 and name HN )) 4.100 2.100 1.900 peak 2888 spectrum 1 weight 0.10000E+01 volume 0.55555E-03 ppm1 1.419 ppm2 7.595 CV 1 ASSI { 2889} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HN )) 3.900 1.900 1.900 peak 2889 spectrum 1 weight 0.10000E+01 volume 0.10680E-02 ppm1 1.420 ppm2 8.258 CV 1 ASSI { 2890} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 12 and name HN )) 4.900 3.000 1.100 peak 2890 spectrum 1 weight 0.10000E+01 volume 0.34478E-03 ppm1 1.420 ppm2 8.154 CV 1 ASSI { 2891} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 15 and name HN )) 2.300 0.700 0.700 peak 2891 spectrum 1 weight 0.10000E+01 volume 0.51271E-02 ppm1 1.420 ppm2 8.036 CV 1 ASSI { 2892} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 14 and name HN )) 2.000 0.500 0.500 peak 2892 spectrum 1 weight 0.10000E+01 volume 0.10256E-01 ppm1 1.420 ppm2 8.821 CV 1 ASSI { 2895} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 12 and name HA )) 5.100 3.200 0.900 peak 2895 spectrum 1 weight 0.10000E+01 volume 0.24290E-03 ppm1 1.419 ppm2 4.102 CV 1 ASSI { 2899} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 10 and name HG2%) 3.500 1.600 1.600 peak 2899 spectrum 1 weight 0.10000E+01 volume 0.24073E-02 ppm1 1.419 ppm2 0.963 CV 1 ASSI { 2901} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 19 and name HD1%) 2.700 0.900 0.900 peak 2901 spectrum 1 weight 0.10000E+01 volume 0.58338E-02 ppm1 1.420 ppm2 0.850 CV 1 ASSI { 2902} ( segid " " and resid 14 and name HB% ) ( segid " " and resid 13 and name HG1%) 2.800 1.000 1.000 peak 2902 spectrum 1 weight 0.10000E+01 volume 0.69250E-02 ppm1 1.420 ppm2 0.748 CV 1 ASSI { 2906} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 13 and name HB )) 4.000 2.000 2.000 peak 2906 spectrum 1 weight 0.10000E+01 volume 0.81403E-03 ppm1 1.419 ppm2 2.000 CV 1 ASSI { 2908} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 11 and name HB1 )) 3.400 3.400 2.600 peak 2908 spectrum 1 weight 0.10000E+01 volume 0.11434E-02 ppm1 1.420 ppm2 1.731 CV 1 ASSI { 2909} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 19 and name HB )) 2.200 0.600 0.600 peak 2909 spectrum 1 weight 0.10000E+01 volume 0.66220E-02 ppm1 1.420 ppm2 1.561 CV 1 ASSI { 2913} (( segid " " and resid 41 and name HA1 )) (( segid " " and resid 36 and name HG )) 5.600 3.900 0.400 peak 2913 spectrum 1 weight 0.10000E+01 volume 0.22985E-03 ppm1 3.782 ppm2 1.738 CV 1 ASSI { 2916} (( segid " " and resid 42 and name HA )) (( segid " " and resid 46 and name HN )) 4.400 2.400 1.600 peak 2916 spectrum 1 weight 0.10000E+01 volume 0.23157E-03 ppm1 3.563 ppm2 8.110 CV 1 ASSI { 2917} (( segid " " and resid 42 and name HA )) (( segid " " and resid 43 and name HA )) 4.300 2.300 1.700 peak 2917 spectrum 1 weight 0.10000E+01 volume 0.35930E-03 ppm1 3.559 ppm2 4.088 CV 1 ASSI { 2918} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HA )) 5.000 3.200 1.000 peak 2918 spectrum 1 weight 0.10000E+01 volume 0.29514E-03 ppm1 3.570 ppm2 3.826 CV 1 ASSI { 2921} (( segid " " and resid 42 and name HA )) (( segid " " and resid 45 and name HB2 )) 2.900 1.100 1.100 peak 2921 spectrum 1 weight 0.10000E+01 volume 0.11867E-02 ppm1 3.562 ppm2 1.848 CV 1 ASSI { 2923} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 41 and name HA2 )) 5.400 3.700 0.600 peak 2923 spectrum 1 weight 0.10000E+01 volume 0.24751E-03 ppm1 1.136 ppm2 3.484 CV 1 ASSI { 2924} ( segid " " and resid 42 and name HG2%) (( segid " " and resid 46 and name HG2 )) 5.200 3.400 0.800 peak 2924 spectrum 1 weight 0.10000E+01 volume 0.32759E-03 ppm1 1.137 ppm2 2.391 CV 1 ASSI { 2929} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 43 and name HA )) 4.700 2.800 1.300 peak 2929 spectrum 1 weight 0.10000E+01 volume 0.29375E-03 ppm1 2.384 ppm2 4.096 CV 1 ASSI { 2930} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 50 and name HD1 )) 4.800 2.900 1.200 peak 2930 spectrum 1 weight 0.10000E+01 volume 0.25797E-03 ppm1 2.572 ppm2 3.181 CV 1 OR { 2930} (( segid " " and resid 46 and name HG1 )) (( segid " " and resid 50 and name HD2 )) ASSI { 2931} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 50 and name HD1 )) 4.300 2.300 1.700 peak 2931 spectrum 1 weight 0.10000E+01 volume 0.28826E-03 ppm1 2.389 ppm2 3.182 CV 1 OR { 2931} (( segid " " and resid 46 and name HG2 )) (( segid " " and resid 50 and name HD2 )) ASSI { 2932} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 28 and name HN )) 3.300 3.300 2.700 peak 2932 spectrum 1 weight 0.10000E+01 volume 0.22519E-03 ppm1 0.965 ppm2 8.352 CV 1 ASSI { 2935} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 64 and name HB1 )) 4.500 2.500 1.500 peak 2935 spectrum 1 weight 0.10000E+01 volume 0.42084E-03 ppm1 0.964 ppm2 2.026 CV 1 ASSI { 2936} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 63 and name HB2 )) 3.900 1.900 1.900 peak 2936 spectrum 1 weight 0.10000E+01 volume 0.38629E-03 ppm1 0.963 ppm2 1.943 CV 1 ASSI { 2938} (( segid " " and resid 67 and name HD2 )) (( segid " " and resid 69 and name HN )) 5.300 3.500 0.700 peak 2938 spectrum 1 weight 0.10000E+01 volume 0.15038E-03 ppm1 2.991 ppm2 7.911 CV 1 ASSI { 2944} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 60 and name HG1 )) 4.300 2.400 1.700 peak 2944 spectrum 1 weight 0.10000E+01 volume 0.43020E-03 ppm1 1.936 ppm2 2.230 CV 1 OR { 2944} (( segid " " and resid 57 and name HG2 )) (( segid " " and resid 60 and name HG2 )) ASSI { 2948} ( segid " " and resid 31 and name HD1%) (( segid " " and resid 32 and name HN )) 5.000 3.100 1.000 peak 2948 spectrum 1 weight 0.10000E+01 volume 0.28012E-03 ppm1 0.585 ppm2 8.482 CV 1 ASSI { 2950} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HB1 )) 5.300 3.400 0.700 peak 2950 spectrum 1 weight 0.10000E+01 volume 0.19933E-03 ppm1 3.835 ppm2 3.017 CV 1 ASSI { 2951} (( segid " " and resid 49 and name HA )) (( segid " " and resid 53 and name HB2 )) 5.800 4.200 0.200 peak 2951 spectrum 1 weight 0.10000E+01 volume 0.14096E-03 ppm1 3.837 ppm2 2.526 CV 1 ASSI { 2954} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 49 and name HN )) 5.400 3.600 0.600 peak 2954 spectrum 1 weight 0.10000E+01 volume 0.18070E-03 ppm1 0.747 ppm2 7.923 CV 1 ASSI { 2955} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 57 and name HD1 )) 3.400 1.400 1.400 peak 2955 spectrum 1 weight 0.10000E+01 volume 0.52441E-03 ppm1 0.747 ppm2 3.830 CV 1 ASSI { 2956} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 59 and name HD1 )) 5.500 3.700 0.500 peak 2956 spectrum 1 weight 0.10000E+01 volume 0.27870E-03 ppm1 0.749 ppm2 3.160 CV 1 OR { 2956} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 59 and name HD2 )) ASSI { 2957} (( segid " " and resid 15 and name HB1 )) (( segid " " and resid 14 and name HN )) 4.900 3.000 1.100 peak 2957 spectrum 1 weight 0.10000E+01 volume 0.33434E-03 ppm1 3.263 ppm2 8.818 CV 1 OR { 2957} (( segid " " and resid 15 and name HB2 )) (( segid " " and resid 14 and name HN )) ASSI { 2959} (( segid " " and resid 66 and name HB2 )) (( segid " " and resid 66 and name HB1 )) 1.800 0.400 0.400 peak 2959 spectrum 1 weight 0.10000E+01 volume 0.45453E-02 ppm1 1.298 ppm2 1.953 CV 1 ASSI { 2964} (( segid " " and resid 72 and name HG1 )) ( segid " " and resid 9 and name HD1%) 5.000 3.200 1.000 peak 2964 spectrum 1 weight 0.10000E+01 volume 0.15743E-03 ppm1 2.609 ppm2 0.582 CV 1 ASSI { 2965} (( segid " " and resid 72 and name HG2 )) ( segid " " and resid 9 and name HD1%) 5.200 3.400 0.800 peak 2965 spectrum 1 weight 0.10000E+01 volume 0.14127E-03 ppm1 2.483 ppm2 0.577 CV 1 ASSI { 2968} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 68 and name HG2 )) 4.300 2.300 1.700 peak 2968 spectrum 1 weight 0.10000E+01 volume 0.20346E-03 ppm1 2.612 ppm2 1.511 CV 1 OR { 2968} (( segid " " and resid 72 and name HG1 )) (( segid " " and resid 68 and name HG1 )) ASSI { 2969} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 68 and name HG2 )) 3.800 1.800 1.800 peak 2969 spectrum 1 weight 0.10000E+01 volume 0.23386E-03 ppm1 2.488 ppm2 1.497 CV 1 OR { 2969} (( segid " " and resid 72 and name HG2 )) (( segid " " and resid 68 and name HG1 )) ASSI { 2973} ( segid " " and resid 55 and name HG2%) (( segid " " and resid 56 and name HA )) 3.400 3.400 2.600 peak 2973 spectrum 1 weight 0.10000E+01 volume 0.20001E-03 ppm1 0.796 ppm2 4.919 CV 1 ASSI { 2979} ( segid " " and resid 17 and name HD1%) (( segid " " and resid 19 and name HN )) 5.600 4.000 0.400 peak 2979 spectrum 1 weight 0.10000E+01 volume 0.19591E-03 ppm1 0.774 ppm2 8.052 CV 1 ASSI { 2982} (( segid " " and resid 26 and name HB1 )) (( segid " " and resid 29 and name HB2 )) 4.000 2.000 2.000 peak 2982 spectrum 1 weight 0.10000E+01 volume 0.33629E-03 ppm1 3.143 ppm2 3.759 CV 1 ASSI { 2983} (( segid " " and resid 26 and name HB2 )) (( segid " " and resid 29 and name HB2 )) 4.200 2.200 1.800 peak 2983 spectrum 1 weight 0.10000E+01 volume 0.20552E-03 ppm1 2.727 ppm2 3.765 CV 1 ASSI { 2985} ( segid " " and resid 32 and name HB% ) (( segid " " and resid 30 and name HN )) 5.000 3.100 1.000 peak 2985 spectrum 1 weight 0.10000E+01 volume 0.28537E-03 ppm1 1.375 ppm2 9.194 CV 1 ASSI { 2986} (( segid " " and resid 8 and name HB1 )) (( segid " " and resid 7 and name HA )) 5.500 3.800 0.500 peak 2986 spectrum 1 weight 0.10000E+01 volume 0.22551E-03 ppm1 2.770 ppm2 4.280 CV 1 ASSI { 2987} (( segid " " and resid 8 and name HB2 )) (( segid " " and resid 7 and name HA )) 4.600 2.700 1.400 peak 2987 spectrum 1 weight 0.10000E+01 volume 0.25578E-03 ppm1 2.640 ppm2 4.271 CV 1 ASSI { 2990} (( segid " " and resid 73 and name HA )) (( segid " " and resid 73 and name HN )) 2.600 0.800 0.800 peak 2990 spectrum 1 weight 0.10000E+01 volume 0.28784E-02 ppm1 4.414 ppm2 7.733 CV 1 ASSI { 2991} (( segid " " and resid 73 and name HA )) (( segid " " and resid 74 and name HN )) 3.000 1.100 1.100 peak 2991 spectrum 1 weight 0.10000E+01 volume 0.17957E-02 ppm1 4.416 ppm2 7.937 CV 1 ASSI { 2996} (( segid " " and resid 73 and name HA )) ( segid " " and resid 9 and name HD1%) 3.200 1.300 1.300 peak 2996 spectrum 1 weight 0.10000E+01 volume 0.76001E-03 ppm1 4.414 ppm2 0.575 CV 1 ASSI { 2999} (( segid " " and resid 73 and name HA )) (( segid " " and resid 9 and name HB1 )) 4.900 3.000 1.100 peak 2999 spectrum 1 weight 0.10000E+01 volume 0.32957E-03 ppm1 4.420 ppm2 1.597 CV 1 ASSI { 3000} (( segid " " and resid 73 and name HA )) (( segid " " and resid 70 and name HN )) 3.400 3.400 2.600 peak 3000 spectrum 1 weight 0.10000E+01 volume 0.18051E-03 ppm1 4.414 ppm2 8.317 CV 1 ASSI { 3002} (( segid " " and resid 73 and name HA )) (( segid " " and resid 9 and name HN )) 5.600 4.000 0.400 peak 3002 spectrum 1 weight 0.10000E+01 volume 0.84349E-04 ppm1 4.417 ppm2 8.482 CV 1 ASSI { 3003} (( segid " " and resid 73 and name HA )) ( segid " " and resid 9 and name HD2%) 4.000 2.000 2.000 peak 3003 spectrum 1 weight 0.10000E+01 volume 0.48119E-03 ppm1 4.411 ppm2 0.692 CV 1 ASSI { 3011} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 12 and name HN )) 5.100 3.300 0.900 peak 3011 spectrum 1 weight 0.10000E+01 volume 0.17860E-03 ppm1 0.845 ppm2 8.154 CV 1 ASSI { 3012} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 9 and name HN )) 4.600 2.600 1.400 peak 3012 spectrum 1 weight 0.10000E+01 volume 0.36427E-03 ppm1 0.941 ppm2 8.482 CV 1 ASSI { 3013} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 70 and name HN )) 5.600 3.900 0.400 peak 3013 spectrum 1 weight 0.10000E+01 volume 0.18169E-03 ppm1 0.845 ppm2 8.330 CV 1 ASSI { 3014} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 14 and name HN )) 4.600 2.600 1.400 peak 3014 spectrum 1 weight 0.10000E+01 volume 0.49460E-03 ppm1 0.943 ppm2 8.817 CV 1 ASSI { 3015} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 12 and name HN )) 5.200 3.400 0.800 peak 3015 spectrum 1 weight 0.10000E+01 volume 0.24705E-03 ppm1 0.942 ppm2 8.156 CV 1 ASSI { 3016} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 72 and name HN )) 5.000 3.200 1.000 peak 3016 spectrum 1 weight 0.10000E+01 volume 0.33317E-03 ppm1 0.942 ppm2 7.999 CV 1 ASSI { 3017} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HE22)) 4.700 2.700 1.300 peak 3017 spectrum 1 weight 0.10000E+01 volume 0.41097E-03 ppm1 0.940 ppm2 7.338 CV 1 ASSI { 3018} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 70 and name HE22)) 5.200 3.400 0.800 peak 3018 spectrum 1 weight 0.10000E+01 volume 0.25077E-03 ppm1 0.845 ppm2 7.339 CV 1 ASSI { 3019} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 70 and name HE21)) 5.600 3.900 0.400 peak 3019 spectrum 1 weight 0.10000E+01 volume 0.18218E-03 ppm1 0.846 ppm2 6.602 CV 1 ASSI { 3020} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HE21)) 5.200 3.400 0.800 peak 3020 spectrum 1 weight 0.10000E+01 volume 0.19944E-03 ppm1 0.940 ppm2 6.606 CV 1 ASSI { 3021} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 70 and name HG2 )) 4.500 2.500 1.500 peak 3021 spectrum 1 weight 0.10000E+01 volume 0.38053E-03 ppm1 0.848 ppm2 2.290 CV 1 ASSI { 3022} ( segid " " and resid 10 and name HG1%) (( segid " " and resid 70 and name HG1 )) 5.800 4.200 0.200 peak 3022 spectrum 1 weight 0.10000E+01 volume 0.22894E-03 ppm1 0.846 ppm2 2.438 CV 1 ASSI { 3023} ( segid " " and resid 44 and name HG1%) ( segid " " and resid 44 and name HG2%) 2.000 0.500 0.500 peak 3023 spectrum 1 weight 0.10000E+01 volume 0.16234E-01 ppm1 0.721 ppm2 0.993 CV 1 ASSI { 3024} (( segid " " and resid 44 and name HB )) (( segid " " and resid 48 and name HN )) 5.000 3.100 1.000 peak 3024 spectrum 1 weight 0.10000E+01 volume 0.19763E-03 ppm1 1.982 ppm2 8.127 CV 1 ASSI { 3026} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name HA )) 3.400 1.500 1.500 peak 3026 spectrum 1 weight 0.10000E+01 volume 0.58044E-03 ppm1 0.994 ppm2 4.068 CV 1 ASSI { 3030} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name HB1 )) 2.600 2.600 3.400 peak 3030 spectrum 1 weight 0.10000E+01 volume 0.10534E-02 ppm1 0.993 ppm2 1.884 CV 1 ASSI { 3031} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 40 and name HB2 )) 2.500 2.500 3.500 peak 3031 spectrum 1 weight 0.10000E+01 volume 0.11996E-02 ppm1 0.992 ppm2 1.794 CV 1 ASSI { 3032} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 16 and name HG12)) 4.800 2.900 1.200 peak 3032 spectrum 1 weight 0.10000E+01 volume 0.28541E-03 ppm1 0.992 ppm2 1.221 CV 1 ASSI { 3034} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 44 and name HN )) 2.100 0.600 0.600 peak 3034 spectrum 1 weight 0.10000E+01 volume 0.69595E-02 ppm1 0.993 ppm2 8.416 CV 1 ASSI { 3037} ( segid " " and resid 44 and name HG2%) (( segid " " and resid 45 and name HE )) 4.300 2.300 1.700 peak 3037 spectrum 1 weight 0.10000E+01 volume 0.69088E-03 ppm1 0.992 ppm2 7.365 CV 1 ASSI { 3039} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 42 and name HA )) 4.500 2.500 1.500 peak 3039 spectrum 1 weight 0.10000E+01 volume 0.64841E-03 ppm1 0.727 ppm2 3.551 CV 1 ASSI { 3040} ( segid " " and resid 44 and name HG1%) (( segid " " and resid 40 and name HA )) 5.100 3.200 0.900 peak 3040 spectrum 1 weight 0.10000E+01 volume 0.22494E-03 ppm1 0.720 ppm2 4.060 CV 1 ASSI { 3041} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 21 and name HB2 )) 5.600 3.900 0.400 peak 3041 spectrum 1 weight 0.10000E+01 volume 0.14794E-03 ppm1 0.698 ppm2 2.488 CV 1 ASSI { 3044} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 25 and name HA )) 6.000 5.000 0.000 peak 3044 spectrum 1 weight 0.10000E+01 volume 0.15399E-03 ppm1 0.697 ppm2 4.080 CV 1 ASSI { 3045} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 25 and name HN )) 6.000 5.000 0.000 peak 3045 spectrum 1 weight 0.10000E+01 volume 0.14671E-03 ppm1 0.695 ppm2 7.345 CV 1 ASSI { 3046} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 17 and name HN )) 3.400 3.400 2.600 peak 3046 spectrum 1 weight 0.10000E+01 volume 0.20614E-03 ppm1 0.692 ppm2 7.713 CV 1 ASSI { 3047} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 24 and name HN )) 5.500 3.800 0.500 peak 3047 spectrum 1 weight 0.10000E+01 volume 0.20000E-03 ppm1 0.696 ppm2 8.221 CV 1 ASSI { 3048} ( segid " " and resid 19 and name HG2%) (( segid " " and resid 26 and name HN )) 6.000 6.000 0.000 peak 3048 spectrum 1 weight 0.10000E+01 volume 0.11847E-03 ppm1 0.698 ppm2 8.448 CV 1 ASSI { 3050} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 26 and name HB1 )) 3.300 3.300 2.700 peak 3050 spectrum 1 weight 0.10000E+01 volume 0.22959E-03 ppm1 0.859 ppm2 3.148 CV 1 ASSI { 3051} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 33 and name HB1 )) 3.400 1.400 1.400 peak 3051 spectrum 1 weight 0.10000E+01 volume 0.20403E-03 ppm1 0.857 ppm2 3.031 CV 1 ASSI { 3052} (( segid " " and resid 54 and name HB1 )) (( segid " " and resid 55 and name HA )) 4.400 2.400 1.600 peak 3052 spectrum 1 weight 0.10000E+01 volume 0.20875E-03 ppm1 1.358 ppm2 3.979 CV 1 ASSI { 3053} (( segid " " and resid 54 and name HB2 )) (( segid " " and resid 55 and name HA )) 5.500 3.700 0.500 peak 3053 spectrum 1 weight 0.10000E+01 volume 0.10709E-03 ppm1 1.271 ppm2 3.981 CV 1 ASSI { 3058} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HB )) 4.200 2.200 1.800 peak 3058 spectrum 1 weight 0.10000E+01 volume 0.38785E-03 ppm1 3.842 ppm2 2.008 CV 1 ASSI { 3059} (( segid " " and resid 14 and name HA )) (( segid " " and resid 13 and name HN )) 5.200 3.400 0.800 peak 3059 spectrum 1 weight 0.10000E+01 volume 0.19903E-03 ppm1 3.849 ppm2 8.264 CV 1 ASSI { 3065} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 67 and name HA )) 3.900 1.900 1.900 peak 3065 spectrum 1 weight 0.10000E+01 volume 0.11439E-02 ppm1 0.745 ppm2 3.796 CV 1 ASSI { 3067} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 23 and name HA )) 5.100 3.300 0.900 peak 3067 spectrum 1 weight 0.10000E+01 volume 0.27488E-03 ppm1 0.742 ppm2 4.050 CV 1 ASSI { 3068} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 25 and name HN )) 5.700 4.100 0.300 peak 3068 spectrum 1 weight 0.10000E+01 volume 0.22829E-03 ppm1 0.745 ppm2 7.337 CV 1 ASSI { 3069} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 23 and name HN )) 5.500 3.800 0.500 peak 3069 spectrum 1 weight 0.10000E+01 volume 0.18575E-03 ppm1 0.743 ppm2 8.214 CV 1 ASSI { 3071} ( segid " " and resid 27 and name HD1%) (( segid " " and resid 26 and name HA )) 3.100 3.100 2.900 peak 3071 spectrum 1 weight 0.10000E+01 volume 0.31817E-03 ppm1 0.706 ppm2 4.607 CV 1 ASSI { 3072} ( segid " " and resid 65 and name HG2%) (( segid " " and resid 28 and name HB2 )) 3.300 3.300 2.700 peak 3072 spectrum 1 weight 0.10000E+01 volume 0.20891E-03 ppm1 0.960 ppm2 2.511 CV 1 ASSI { 3076} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 64 and name HN )) 3.600 1.600 1.600 peak 3076 spectrum 1 weight 0.10000E+01 volume 0.13419E-03 ppm1 1.697 ppm2 7.377 CV 1 OR { 3076} (( segid " " and resid 68 and name HD1 )) (( segid " " and resid 64 and name HN )) OR { 3076} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 64 and name HN )) OR { 3076} (( segid " " and resid 68 and name HD2 )) (( segid " " and resid 64 and name HN )) ASSI { 3079} ( segid " " and resid 55 and name HG1%) (( segid " " and resid 57 and name HB1 )) 5.300 3.500 0.700 peak 3079 spectrum 1 weight 0.10000E+01 volume 0.11988E-03 ppm1 0.749 ppm2 2.401 CV 1 ASSI { 3082} ( segid " " and resid 54 and name HD1%) (( segid " " and resid 54 and name HN )) 3.800 1.800 1.800 peak 3082 spectrum 1 weight 0.10000E+01 volume 0.53386E-03 ppm1 0.838 ppm2 7.632 CV 1 ASSI { 3085} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HB1 )) 2.400 0.700 0.700 peak 3085 spectrum 1 weight 0.10000E+01 volume 0.48512E-02 ppm1 0.938 ppm2 2.237 CV 1 OR { 3085} ( segid " " and resid 10 and name HG2%) (( segid " " and resid 70 and name HB2 )) ASSI { 3089} (( segid " " and resid 69 and name HB1 )) ( segid " " and resid 9 and name HD1%) 4.000 2.000 2.000 peak 3089 spectrum 1 weight 0.10000E+01 volume 0.47144E-03 ppm1 2.034 ppm2 0.578 CV 1 ASSI { 3090} ( segid " " and resid 58 and name HG2%) (( segid " " and resid 57 and name HA )) 5.400 3.600 0.600 peak 3090 spectrum 1 weight 0.10000E+01 volume 0.35597E-03 ppm1 0.881 ppm2 4.591 CV 1 ASSI { 3092} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 15 and name HB1 )) 5.800 4.300 0.200 peak 3092 spectrum 1 weight 0.10000E+01 volume 0.19734E-03 ppm1 0.902 ppm2 3.260 CV 1 OR { 3092} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 15 and name HB2 )) ASSI { 3093} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 40 and name HG1 )) 3.100 1.200 1.200 peak 3093 spectrum 1 weight 0.10000E+01 volume 0.20150E-02 ppm1 0.902 ppm2 2.923 CV 1 ASSI { 3094} ( segid " " and resid 16 and name HG2%) (( segid " " and resid 40 and name HG2 )) 2.600 0.800 0.800 peak 3094 spectrum 1 weight 0.10000E+01 volume 0.32090E-02 ppm1 0.903 ppm2 2.514 CV 1 ASSI { 3099} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 13 and name HN )) 5.000 3.100 1.000 peak 3099 spectrum 1 weight 0.10000E+01 volume 0.28583E-03 ppm1 0.679 ppm2 8.262 CV 1 ASSI { 3100} ( segid " " and resid 66 and name HD1%) (( segid " " and resid 65 and name HA )) 5.100 3.300 0.900 peak 3100 spectrum 1 weight 0.10000E+01 volume 0.23471E-03 ppm1 0.680 ppm2 5.032 CV 1 ASSI { 3102} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 20 and name HA )) 3.900 1.900 1.900 peak 3102 spectrum 1 weight 0.10000E+01 volume 0.22456E-03 ppm1 1.420 ppm2 4.195 CV 1 ASSI { 3103} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 22 and name HA )) 5.000 3.200 1.000 peak 3103 spectrum 1 weight 0.10000E+01 volume 0.28339E-03 ppm1 1.418 ppm2 3.961 CV 1 ASSI { 3104} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 11 and name HE2 )) 6.000 4.800 0.000 peak 3104 spectrum 1 weight 0.10000E+01 volume 0.55689E-04 ppm1 1.416 ppm2 2.959 CV 1 OR { 3104} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 11 and name HE1 )) ASSI { 3105} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 20 and name HD2 )) 6.000 4.900 0.000 peak 3105 spectrum 1 weight 0.10000E+01 volume 0.54922E-04 ppm1 1.421 ppm2 3.141 CV 1 OR { 3105} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 20 and name HD1 )) ASSI { 3106} ( segid " " and resid 14 and name HB% ) (( segid " " and resid 70 and name HG1 )) 6.000 5.000 0.000 peak 3106 spectrum 1 weight 0.10000E+01 volume 0.13247E-03 ppm1 1.419 ppm2 2.419 CV 1 ASSI { 3112} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 60 and name HN )) 4.700 2.800 1.300 peak 3112 spectrum 1 weight 0.10000E+01 volume 0.36230E-03 ppm1 1.584 ppm2 7.162 CV 1 ASSI { 3113} (( segid " " and resid 59 and name HG2 )) (( segid " " and resid 60 and name HN )) 4.600 2.700 1.400 peak 3113 spectrum 1 weight 0.10000E+01 volume 0.52639E-03 ppm1 1.483 ppm2 7.164 CV 1 ASSI { 3115} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 58 and name HN )) 4.600 2.600 1.400 peak 3115 spectrum 1 weight 0.10000E+01 volume 0.67282E-03 ppm1 1.599 ppm2 8.925 CV 1 ASSI { 3122} (( segid " " and resid 59 and name HG1 )) (( segid " " and resid 57 and name HB1 )) 6.000 4.400 0.000 peak 3122 spectrum 1 weight 0.10000E+01 volume 0.23545E-03 ppm1 1.592 ppm2 2.417 CV 1 ASSI { 3124} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 75 and name HE2 )) 3.600 1.600 1.600 peak 3124 spectrum 1 weight 0.10000E+01 volume 0.11392E-02 ppm1 1.599 ppm2 3.005 CV 1 OR { 3124} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 75 and name HE1 )) OR { 3124} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 75 and name HE1 )) OR { 3124} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 75 and name HE2 )) ASSI { 3125} (( segid " " and resid 9 and name HG )) (( segid " " and resid 75 and name HE2 )) 3.200 3.200 2.800 peak 3125 spectrum 1 weight 0.10000E+01 volume 0.13842E-02 ppm1 1.471 ppm2 2.995 CV 1 OR { 3125} (( segid " " and resid 9 and name HG )) (( segid " " and resid 75 and name HE1 )) ASSI { 3130} (( segid " " and resid 7 and name HG1 )) (( segid " " and resid 12 and name HN )) 3.500 1.500 1.500 peak 3130 spectrum 1 weight 0.10000E+01 volume 0.73914E-03 ppm1 1.599 ppm2 8.118 CV 1 OR { 3130} (( segid " " and resid 7 and name HG2 )) (( segid " " and resid 12 and name HN )) ASSI { 3135} (( segid " " and resid 20 and name HG1 )) (( segid " " and resid 67 and name HE )) 5.700 4.100 0.300 peak 3135 spectrum 1 weight 0.10000E+01 volume 0.86247E-04 ppm1 1.600 ppm2 8.681 CV 1 ASSI { 3146} ( segid " " and resid 36 and name HD2%) (( segid " " and resid 61 and name HB )) 3.800 1.800 1.800 peak 3146 spectrum 1 weight 0.10000E+01 volume 0.45900E-03 ppm1 0.733 ppm2 2.189 CV 1 ASSI { 3148} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 40 and name HA )) 3.900 1.900 1.900 peak 3148 spectrum 1 weight 0.10000E+01 volume 0.10421E-02 ppm1 0.705 ppm2 4.056 CV 1 ASSI { 3151} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 30 and name HN )) 3.500 1.500 1.500 peak 3151 spectrum 1 weight 0.10000E+01 volume 0.15509E-03 ppm1 0.859 ppm2 9.188 CV 1 ASSI { 3152} ( segid " " and resid 34 and name HD2%) (( segid " " and resid 29 and name HA )) 3.400 1.400 1.400 peak 3152 spectrum 1 weight 0.10000E+01 volume 0.19180E-03 ppm1 0.863 ppm2 4.524 CV 1 ASSI { 3157} ( segid " " and resid 22 and name HD2%) (( segid " " and resid 10 and name HB )) 4.900 3.100 1.100 peak 3157 spectrum 1 weight 0.10000E+01 volume 0.22665E-03 ppm1 0.747 ppm2 2.139 CV 1 ASSI { 3160} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HN )) 3.500 1.500 1.500 peak 3160 spectrum 1 weight 0.10000E+01 volume 0.16971E-03 ppm1 1.839 ppm2 7.397 CV 1 OR { 3160} (( segid " " and resid 68 and name HB1 )) (( segid " " and resid 64 and name HN )) OR { 3160} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 64 and name HN )) OR { 3160} (( segid " " and resid 68 and name HB2 )) (( segid " " and resid 64 and name HN )) ASSI { 3163} (( segid " " and resid 12 and name HA )) (( segid " " and resid 7 and name HD1 )) 3.700 1.700 1.700 peak 3163 spectrum 1 weight 0.10000E+01 volume 0.31350E-03 ppm1 4.104 ppm2 3.121 CV 1 OR { 3163} (( segid " " and resid 12 and name HA )) (( segid " " and resid 7 and name HD2 )) ASSI { 3167} (( segid " " and resid 27 and name HB2 )) (( segid " " and resid 27 and name HN )) 2.700 0.900 0.900 peak 3167 spectrum 1 weight 0.10000E+01 volume 0.17973E-02 ppm1 1.303 ppm2 8.905 CV 1 ASSI { 3172} (( segid " " and resid 70 and name HB1 )) ( segid " " and resid 9 and name HD2%) 4.600 2.600 1.400 peak 3172 spectrum 1 weight 0.10000E+01 volume 0.39691E-03 ppm1 2.232 ppm2 0.710 CV 1 OR { 3172} (( segid " " and resid 70 and name HB2 )) ( segid " " and resid 9 and name HD2%) ASSI { 3173} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 40 and name HG2 )) 5.100 3.200 0.900 peak 3173 spectrum 1 weight 0.10000E+01 volume 0.40423E-03 ppm1 0.698 ppm2 2.515 CV 1 ASSI { 3174} ( segid " " and resid 36 and name HD1%) (( segid " " and resid 40 and name HG1 )) 5.000 3.100 1.000 peak 3174 spectrum 1 weight 0.10000E+01 volume 0.34007E-03 ppm1 0.698 ppm2 2.930 CV 1 ASSI { 3175} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 14 and name HN )) 3.900 1.900 1.900 peak 3175 spectrum 1 weight 0.10000E+01 volume 0.15920E-02 ppm1 0.986 ppm2 8.820 CV 1 ASSI { 3176} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 3176 spectrum 1 weight 0.10000E+01 volume 0.75503E-02 ppm1 0.986 ppm2 8.258 CV 1 ASSI { 3177} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 12 and name HN )) 4.100 2.100 1.900 peak 3177 spectrum 1 weight 0.10000E+01 volume 0.84052E-03 ppm1 0.988 ppm2 8.155 CV 1 ASSI { 3179} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 11 and name HN )) 5.200 3.400 0.800 peak 3179 spectrum 1 weight 0.10000E+01 volume 0.23587E-03 ppm1 0.986 ppm2 7.787 CV 1 ASSI { 3180} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 16 and name HN )) 5.500 3.800 0.500 peak 3180 spectrum 1 weight 0.10000E+01 volume 0.21474E-03 ppm1 0.983 ppm2 7.595 CV 1 ASSI { 3181} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 9 and name HA )) 3.200 1.300 1.300 peak 3181 spectrum 1 weight 0.10000E+01 volume 0.11214E-02 ppm1 0.986 ppm2 4.025 CV 1 ASSI { 3182} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 10 and name HA )) 3.600 1.600 1.600 peak 3182 spectrum 1 weight 0.10000E+01 volume 0.14713E-02 ppm1 0.986 ppm2 3.321 CV 1 ASSI { 3183} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 12 and name HB% ) 2.600 0.800 0.800 peak 3183 spectrum 1 weight 0.10000E+01 volume 0.41628E-02 ppm1 0.986 ppm2 1.471 CV 1 ASSI { 3184} ( segid " " and resid 13 and name HG2%) (( segid " " and resid 9 and name HB1 )) 3.300 1.300 1.300 peak 3184 spectrum 1 weight 0.10000E+01 volume 0.58488E-03 ppm1 0.986 ppm2 1.580 CV 1 ASSI { 3185} ( segid " " and resid 13 and name HG2%) ( segid " " and resid 9 and name HD1%) 3.300 1.300 1.300 peak 3185 spectrum 1 weight 0.10000E+01 volume 0.23284E-02 ppm1 0.986 ppm2 0.581 CV 1 ASSI { 3186} (( segid " " and resid 58 and name HA )) (( segid " " and resid 58 and name HG12)) 3.600 1.600 1.600 peak 3186 spectrum 1 weight 0.10000E+01 volume 0.14969E-02 ppm1 3.693 ppm2 1.395 CV 1 ASSI { 3187} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HN )) 4.100 2.100 1.900 peak 3187 spectrum 1 weight 0.10000E+01 volume 0.43479E-03 ppm1 1.429 ppm2 8.953 CV 1 ASSI { 3188} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HN )) 4.900 3.000 1.100 peak 3188 spectrum 1 weight 0.10000E+01 volume 0.23446E-03 ppm1 1.377 ppm2 8.947 CV 1 ASSI { 3192} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HB )) 2.600 0.900 0.900 peak 3192 spectrum 1 weight 0.10000E+01 volume 0.22607E-02 ppm1 1.376 ppm2 1.892 CV 1 ASSI { 3193} (( segid " " and resid 58 and name HG11)) (( segid " " and resid 58 and name HB )) 2.800 0.900 0.900 peak 3193 spectrum 1 weight 0.10000E+01 volume 0.22755E-02 ppm1 1.425 ppm2 1.892 CV 1 OR { 3193} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 58 and name HB )) ASSI { 3194} (( segid " " and resid 58 and name HG11)) ( segid " " and resid 58 and name HG2%) 2.900 1.000 1.000 peak 3194 spectrum 1 weight 0.10000E+01 volume 0.22918E-02 ppm1 1.426 ppm2 0.878 CV 1 ASSI { 3195} (( segid " " and resid 58 and name HG12)) ( segid " " and resid 58 and name HG2%) 2.600 0.800 0.800 peak 3195 spectrum 1 weight 0.10000E+01 volume 0.31712E-02 ppm1 1.375 ppm2 0.877 CV 1 ASSI { 3196} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 59 and name HD2 )) 4.400 2.400 1.600 peak 3196 spectrum 1 weight 0.10000E+01 volume 0.83668E-03 ppm1 1.378 ppm2 3.153 CV 1 OR { 3196} (( segid " " and resid 58 and name HG12)) (( segid " " and resid 59 and name HD1 )) ASSI { 3197} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 61 and name HN )) 4.600 2.600 1.400 peak 3197 spectrum 1 weight 0.10000E+01 volume 0.55842E-03 ppm1 0.783 ppm2 7.889 CV 1 ASSI { 3198} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 62 and name HN )) 5.300 3.500 0.700 peak 3198 spectrum 1 weight 0.10000E+01 volume 0.29242E-03 ppm1 0.782 ppm2 7.829 CV 1 ASSI { 3201} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 58 and name HN )) 3.500 3.500 2.500 peak 3201 spectrum 1 weight 0.10000E+01 volume 0.26369E-03 ppm1 0.781 ppm2 8.944 CV 1 ASSI { 3202} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HN )) 5.300 3.600 0.700 peak 3202 spectrum 1 weight 0.10000E+01 volume 0.23208E-03 ppm1 0.784 ppm2 8.590 CV 1 ASSI { 3204} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HD2 )) 3.600 1.600 1.600 peak 3204 spectrum 1 weight 0.10000E+01 volume 0.33614E-02 ppm1 0.783 ppm2 3.152 CV 1 OR { 3204} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 59 and name HD1 )) ASSI { 3205} ( segid " " and resid 58 and name HD1%) (( segid " " and resid 57 and name HD2 )) 3.700 3.700 2.300 peak 3205 spectrum 1 weight 0.10000E+01 volume 0.25934E-02 ppm1 0.783 ppm2 3.565 CV 1 ASSI { 3208} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 73 and name HN )) 2.500 0.800 0.800 peak 3208 spectrum 1 weight 0.10000E+01 volume 0.20726E-02 ppm1 4.090 ppm2 7.733 CV 1 ASSI { 3209} (( segid " " and resid 73 and name HB2 )) (( segid " " and resid 73 and name HN )) 3.100 1.200 1.200 peak 3209 spectrum 1 weight 0.10000E+01 volume 0.24607E-02 ppm1 3.965 ppm2 7.734 CV 1 ASSI { 3210} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 9 and name HD1%) 4.000 2.000 2.000 peak 3210 spectrum 1 weight 0.10000E+01 volume 0.73086E-03 ppm1 4.089 ppm2 0.576 CV 1 ASSI { 3211} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 9 and name HD1%) 3.900 1.900 1.900 peak 3211 spectrum 1 weight 0.10000E+01 volume 0.72717E-03 ppm1 3.964 ppm2 0.577 CV 1 ASSI { 3213} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 9 and name HD2%) 4.100 2.100 1.900 peak 3213 spectrum 1 weight 0.10000E+01 volume 0.39097E-03 ppm1 3.962 ppm2 0.694 CV 1 ASSI { 3214} (( segid " " and resid 73 and name HB1 )) ( segid " " and resid 10 and name HG2%) 3.100 3.100 2.900 peak 3214 spectrum 1 weight 0.10000E+01 volume 0.31299E-03 ppm1 4.093 ppm2 0.950 CV 1 ASSI { 3215} (( segid " " and resid 73 and name HB2 )) ( segid " " and resid 10 and name HG2%) 3.200 3.200 2.800 peak 3215 spectrum 1 weight 0.10000E+01 volume 0.26389E-03 ppm1 3.963 ppm2 0.953 CV 1 ASSI { 3217} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 9 and name HN )) 3.800 1.800 1.800 peak 3217 spectrum 1 weight 0.10000E+01 volume 0.35729E-03 ppm1 4.094 ppm2 8.475 CV 1 ASSI { 3218} (( segid " " and resid 73 and name HB1 )) (( segid " " and resid 74 and name HN )) 3.800 1.800 1.800 peak 3218 spectrum 1 weight 0.10000E+01 volume 0.49442E-03 ppm1 4.088 ppm2 7.935 CV 1 ASSI { 3221} (( segid " " and resid 57 and name HD1 )) (( segid " " and resid 56 and name HN )) 4.200 2.200 1.800 peak 3221 spectrum 1 weight 0.10000E+01 volume 0.31412E-03 ppm1 3.827 ppm2 8.239 CV 1 ASSI { 3222} (( segid " " and resid 57 and name HD2 )) (( segid " " and resid 56 and name HN )) 3.200 3.200 2.800 peak 3222 spectrum 1 weight 0.10000E+01 volume 0.27492E-03 ppm1 3.544 ppm2 8.239 CV 1 ASSI { 3223} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 58 and name HN )) 3.500 1.500 1.500 peak 3223 spectrum 1 weight 0.10000E+01 volume 0.39571E-03 ppm1 2.408 ppm2 8.944 CV 1 ASSI { 3226} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 56 and name HA )) 5.400 3.600 0.600 peak 3226 spectrum 1 weight 0.10000E+01 volume 0.40327E-03 ppm1 2.403 ppm2 4.919 CV 1 ASSI { 3229} (( segid " " and resid 57 and name HB1 )) (( segid " " and resid 59 and name HB2 )) 5.400 3.600 0.600 peak 3229 spectrum 1 weight 0.10000E+01 volume 0.27308E-03 ppm1 2.407 ppm2 1.680 CV 1 ASSI { 3232} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 8 and name HA )) 4.800 2.900 1.200 peak 3232 spectrum 1 weight 0.10000E+01 volume 0.26577E-03 ppm1 0.701 ppm2 4.577 CV 1 ASSI { 3242} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 69 and name HB2 )) 4.700 2.700 1.300 peak 3242 spectrum 1 weight 0.10000E+01 volume 0.81727E-03 ppm1 0.572 ppm2 1.148 CV 1 ASSI { 3246} ( segid " " and resid 9 and name HD2%) (( segid " " and resid 73 and name HB1 )) 4.200 2.200 1.800 peak 3246 spectrum 1 weight 0.10000E+01 volume 0.75044E-03 ppm1 0.701 ppm2 4.094 CV 1 ASSI { 3247} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 6 and name HE21)) 3.900 1.900 1.900 peak 3247 spectrum 1 weight 0.10000E+01 volume 0.60357E-03 ppm1 0.572 ppm2 6.781 CV 1 ASSI { 3249} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 72 and name HN )) 4.200 2.200 1.800 peak 3249 spectrum 1 weight 0.10000E+01 volume 0.42114E-03 ppm1 0.574 ppm2 7.996 CV 1 ASSI { 3251} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 3251 spectrum 1 weight 0.10000E+01 volume 0.20330E-03 ppm1 0.574 ppm2 7.736 CV 1 ASSI { 3252} ( segid " " and resid 9 and name HD1%) (( segid " " and resid 9 and name HN )) 4.000 2.000 2.000 peak 3252 spectrum 1 weight 0.10000E+01 volume 0.67342E-03 ppm1 0.572 ppm2 8.475 CV 1 ASSI { 3254} (( segid " " and resid 9 and name HG )) (( segid " " and resid 9 and name HN )) 2.900 1.000 1.000 peak 3254 spectrum 1 weight 0.10000E+01 volume 0.10792E-02 ppm1 1.448 ppm2 8.472 CV 1 ASSI { 3256} (( segid " " and resid 19 and name HG11)) (( segid " " and resid 19 and name HG12)) 1.500 0.300 0.700 peak 3256 spectrum 1 weight 0.10000E+01 volume 0.91631E-02 ppm1 1.462 ppm2 1.013 CV 1 ASSI { 3260} (( segid " " and resid 74 and name HB1 )) ( segid " " and resid 54 and name HD2%) 4.100 2.100 1.900 peak 3260 spectrum 1 weight 0.10000E+01 volume 0.22424E-03 ppm1 3.960 ppm2 0.835 CV 1 ASSI { 9} (( segid " " and resid 31 and name HN )) (( segid " " and resid 30 and name HN )) 5.100 3.300 0.900 peak 9 spectrum 1 weight 0.10000E+01 volume 0.24599E-03 ppm1 8.553 ppm2 9.165 CV 1 ASSI { 15} (( segid " " and resid 27 and name HN )) (( segid " " and resid 27 and name HA )) 3.000 1.100 1.100 peak 15 spectrum 1 weight 0.10000E+01 volume 0.15096E-02 ppm1 8.880 ppm2 4.033 CV 1 ASSI { 26} (( segid " " and resid 60 and name HN )) (( segid " " and resid 59 and name HN )) 2.300 0.700 0.700 peak 26 spectrum 1 weight 0.10000E+01 volume 0.19569E-02 ppm1 7.132 ppm2 8.588 CV 1 ASSI { 27} (( segid " " and resid 60 and name HN )) (( segid " " and resid 58 and name HN )) 4.200 2.200 1.800 peak 27 spectrum 1 weight 0.10000E+01 volume 0.23600E-03 ppm1 7.132 ppm2 8.949 CV 1 ASSI { 28} (( segid " " and resid 60 and name HN )) (( segid " " and resid 61 and name HN )) 2.100 0.500 0.500 peak 28 spectrum 1 weight 0.10000E+01 volume 0.34841E-02 ppm1 7.132 ppm2 7.892 CV 1 ASSI { 50} (( segid " " and resid 29 and name HN )) (( segid " " and resid 28 and name HN )) 2.300 0.700 0.700 peak 50 spectrum 1 weight 0.10000E+01 volume 0.46820E-02 ppm1 7.367 ppm2 8.337 CV 1 ASSI { 51} (( segid " " and resid 29 and name HN )) (( segid " " and resid 27 and name HN )) 4.600 2.700 1.400 peak 51 spectrum 1 weight 0.10000E+01 volume 0.68716E-03 ppm1 7.367 ppm2 8.882 CV 1 ASSI { 52} (( segid " " and resid 29 and name HN )) (( segid " " and resid 30 and name HN )) 4.500 2.600 1.500 peak 52 spectrum 1 weight 0.10000E+01 volume 0.56772E-03 ppm1 7.367 ppm2 9.165 CV 1 ASSI { 55} (( segid " " and resid 14 and name HN )) (( segid " " and resid 15 and name HN )) 2.700 0.900 0.900 peak 55 spectrum 1 weight 0.10000E+01 volume 0.15987E-02 ppm1 8.834 ppm2 8.049 CV 1 ASSI { 56} (( segid " " and resid 14 and name HN )) (( segid " " and resid 17 and name HN )) 4.700 2.800 1.300 peak 56 spectrum 1 weight 0.10000E+01 volume 0.18390E-03 ppm1 8.830 ppm2 7.679 CV 1 ASSI { 62} (( segid " " and resid 9 and name HN )) (( segid " " and resid 10 and name HN )) 2.700 0.900 0.900 peak 62 spectrum 1 weight 0.10000E+01 volume 0.15061E-02 ppm1 8.436 ppm2 7.882 CV 1 ASSI { 65} (( segid " " and resid 10 and name HN )) (( segid " " and resid 12 and name HN )) 3.500 1.500 1.500 peak 65 spectrum 1 weight 0.10000E+01 volume 0.66247E-03 ppm1 7.881 ppm2 8.134 CV 1 ASSI { 66} (( segid " " and resid 10 and name HN )) (( segid " " and resid 13 and name HN )) 4.600 2.600 1.400 peak 66 spectrum 1 weight 0.10000E+01 volume 0.26174E-03 ppm1 7.883 ppm2 8.239 CV 1 ASSI { 68} (( segid " " and resid 10 and name HN )) (( segid " " and resid 11 and name HN )) 2.300 0.700 0.700 peak 68 spectrum 1 weight 0.10000E+01 volume 0.35483E-02 ppm1 7.881 ppm2 7.792 CV 1 ASSI { 70} (( segid " " and resid 11 and name HN )) (( segid " " and resid 15 and name HN )) 5.000 3.100 1.000 peak 70 spectrum 1 weight 0.10000E+01 volume 0.16694E-03 ppm1 7.787 ppm2 8.012 CV 1 ASSI { 71} (( segid " " and resid 11 and name HN )) (( segid " " and resid 12 and name HN )) 2.400 0.700 0.700 peak 71 spectrum 1 weight 0.10000E+01 volume 0.26649E-02 ppm1 7.787 ppm2 8.135 CV 1 ASSI { 73} (( segid " " and resid 11 and name HN )) (( segid " " and resid 9 and name HN )) 4.500 2.500 1.500 peak 73 spectrum 1 weight 0.10000E+01 volume 0.29922E-03 ppm1 7.787 ppm2 8.438 CV 1 ASSI { 74} (( segid " " and resid 11 and name HN )) (( segid " " and resid 13 and name HN )) 4.500 2.500 1.500 peak 74 spectrum 1 weight 0.10000E+01 volume 0.53791E-03 ppm1 7.787 ppm2 8.251 CV 1 ASSI { 75} (( segid " " and resid 12 and name HN )) (( segid " " and resid 13 and name HN )) 2.200 0.600 0.600 peak 75 spectrum 1 weight 0.10000E+01 volume 0.25803E-02 ppm1 8.134 ppm2 8.240 CV 1 ASSI { 77} (( segid " " and resid 12 and name HN )) (( segid " " and resid 14 and name HN )) 4.700 2.800 1.300 peak 77 spectrum 1 weight 0.10000E+01 volume 0.36038E-03 ppm1 8.134 ppm2 8.831 CV 1 ASSI { 80} (( segid " " and resid 13 and name HN )) (( segid " " and resid 14 and name HN )) 2.300 0.700 0.700 peak 80 spectrum 1 weight 0.10000E+01 volume 0.25894E-02 ppm1 8.242 ppm2 8.834 CV 1 ASSI { 81} (( segid " " and resid 13 and name HN )) (( segid " " and resid 12 and name HA )) 3.700 1.700 1.700 peak 81 spectrum 1 weight 0.10000E+01 volume 0.69253E-03 ppm1 8.241 ppm2 4.103 CV 1 ASSI { 82} (( segid " " and resid 13 and name HN )) (( segid " " and resid 9 and name HA )) 4.200 2.200 1.800 peak 82 spectrum 1 weight 0.10000E+01 volume 0.33617E-03 ppm1 8.241 ppm2 4.000 CV 1 ASSI { 83} (( segid " " and resid 13 and name HN )) (( segid " " and resid 13 and name HA )) 2.700 0.900 0.900 peak 83 spectrum 1 weight 0.10000E+01 volume 0.19623E-02 ppm1 8.242 ppm2 3.537 CV 1 ASSI { 84} (( segid " " and resid 13 and name HN )) (( segid " " and resid 10 and name HA )) 3.200 1.300 1.300 peak 84 spectrum 1 weight 0.10000E+01 volume 0.93560E-03 ppm1 8.241 ppm2 3.317 CV 1 ASSI { 88} (( segid " " and resid 17 and name HN )) (( segid " " and resid 15 and name HN )) 4.000 2.000 2.000 peak 88 spectrum 1 weight 0.10000E+01 volume 0.43689E-03 ppm1 7.697 ppm2 8.009 CV 1 ASSI { 97} (( segid " " and resid 21 and name HN )) (( segid " " and resid 20 and name HN )) 1.800 0.400 0.400 peak 97 spectrum 1 weight 0.10000E+01 volume 0.57300E-02 ppm1 7.566 ppm2 8.564 CV 1 ASSI { 102} (( segid " " and resid 23 and name HN )) (( segid " " and resid 25 and name HN )) 6.000 4.800 0.000 peak 102 spectrum 1 weight 0.10000E+01 volume 0.95299E-04 ppm1 8.173 ppm2 7.342 CV 1 ASSI { 103} (( segid " " and resid 23 and name HN )) (( segid " " and resid 22 and name HN )) 2.400 0.700 0.700 peak 103 spectrum 1 weight 0.10000E+01 volume 0.34610E-02 ppm1 8.171 ppm2 8.522 CV 1 ASSI { 104} (( segid " " and resid 24 and name HN )) (( segid " " and resid 25 and name HN )) 2.500 0.800 0.800 peak 104 spectrum 1 weight 0.10000E+01 volume 0.31646E-02 ppm1 8.221 ppm2 7.339 CV 1 ASSI { 105} (( segid " " and resid 24 and name HN )) (( segid " " and resid 22 and name HN )) 5.000 3.100 1.000 peak 105 spectrum 1 weight 0.10000E+01 volume 0.19285E-03 ppm1 8.220 ppm2 8.521 CV 1 ASSI { 108} (( segid " " and resid 25 and name HN )) (( segid " " and resid 26 and name HN )) 4.100 2.100 1.900 peak 108 spectrum 1 weight 0.10000E+01 volume 0.80731E-03 ppm1 7.340 ppm2 8.428 CV 1 ASSI { 109} (( segid " " and resid 25 and name HN )) (( segid " " and resid 22 and name HN )) 6.000 4.900 0.000 peak 109 spectrum 1 weight 0.10000E+01 volume 0.10100E-03 ppm1 7.343 ppm2 8.528 CV 1 ASSI { 110} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD22)) 4.500 2.600 1.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.37012E-03 ppm1 8.428 ppm2 7.522 CV 1 ASSI { 112} (( segid " " and resid 26 and name HN )) (( segid " " and resid 26 and name HD21)) 4.600 2.600 1.400 peak 112 spectrum 1 weight 0.10000E+01 volume 0.21506E-03 ppm1 8.429 ppm2 6.964 CV 1 ASSI { 113} (( segid " " and resid 26 and name HN )) (( segid " " and resid 27 and name HN )) 4.300 2.300 1.700 peak 113 spectrum 1 weight 0.10000E+01 volume 0.61193E-03 ppm1 8.429 ppm2 8.880 CV 1 ASSI { 119} (( segid " " and resid 28 and name HN )) (( segid " " and resid 27 and name HN )) 2.500 0.800 0.800 peak 119 spectrum 1 weight 0.10000E+01 volume 0.27076E-02 ppm1 8.335 ppm2 8.882 CV 1 ASSI { 121} (( segid " " and resid 28 and name HN )) (( segid " " and resid 26 and name HD21)) 4.800 2.900 1.200 peak 121 spectrum 1 weight 0.10000E+01 volume 0.15135E-03 ppm1 8.328 ppm2 6.972 CV 1 ASSI { 123} (( segid " " and resid 30 and name HN )) (( segid " " and resid 33 and name HN )) 4.000 2.000 2.000 peak 123 spectrum 1 weight 0.10000E+01 volume 0.42339E-03 ppm1 9.166 ppm2 8.085 CV 1 ASSI { 132} (( segid " " and resid 32 and name HN )) (( segid " " and resid 33 and name HN )) 2.800 1.000 1.000 peak 132 spectrum 1 weight 0.10000E+01 volume 0.15403E-02 ppm1 8.484 ppm2 8.082 CV 1 ASSI { 133} (( segid " " and resid 32 and name HN )) (( segid " " and resid 35 and name HN )) 4.700 2.700 1.300 peak 133 spectrum 1 weight 0.10000E+01 volume 0.29918E-03 ppm1 8.484 ppm2 7.586 CV 1 ASSI { 134} (( segid " " and resid 32 and name HN )) (( segid " " and resid 36 and name HN )) 5.700 4.100 0.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.94702E-04 ppm1 8.486 ppm2 7.685 CV 1 ASSI { 135} (( segid " " and resid 33 and name HN )) (( segid " " and resid 35 and name HN )) 3.400 1.400 1.400 peak 135 spectrum 1 weight 0.10000E+01 volume 0.24617E-02 ppm1 8.080 ppm2 7.584 CV 1 ASSI { 136} (( segid " " and resid 33 and name HN )) (( segid " " and resid 36 and name HN )) 5.300 3.500 0.700 peak 136 spectrum 1 weight 0.10000E+01 volume 0.23425E-03 ppm1 8.078 ppm2 7.696 CV 1 ASSI { 137} (( segid " " and resid 33 and name HN )) (( segid " " and resid 31 and name HN )) 4.900 3.000 1.100 peak 137 spectrum 1 weight 0.10000E+01 volume 0.19292E-03 ppm1 8.083 ppm2 8.580 CV 1 ASSI { 140} (( segid " " and resid 34 and name HN )) (( segid " " and resid 33 and name HN )) 2.700 0.900 0.900 peak 140 spectrum 1 weight 0.10000E+01 volume 0.19048E-02 ppm1 7.579 ppm2 8.082 CV 1 ASSI { 141} (( segid " " and resid 34 and name HN )) (( segid " " and resid 32 and name HN )) 4.200 2.300 1.800 peak 141 spectrum 1 weight 0.10000E+01 volume 0.35591E-03 ppm1 7.575 ppm2 8.479 CV 1 ASSI { 142} (( segid " " and resid 34 and name HN )) (( segid " " and resid 30 and name HN )) 4.100 2.100 1.900 peak 142 spectrum 1 weight 0.10000E+01 volume 0.63926E-04 ppm1 7.578 ppm2 9.165 CV 1 ASSI { 143} (( segid " " and resid 34 and name HN )) (( segid " " and resid 36 and name HN )) 4.400 2.400 1.600 peak 143 spectrum 1 weight 0.10000E+01 volume 0.80587E-03 ppm1 7.583 ppm2 7.682 CV 1 ASSI { 145} (( segid " " and resid 38 and name HN )) (( segid " " and resid 39 and name HN )) 2.600 0.900 0.900 peak 145 spectrum 1 weight 0.10000E+01 volume 0.19196E-02 ppm1 8.369 ppm2 7.779 CV 1 ASSI { 151} (( segid " " and resid 45 and name HN )) (( segid " " and resid 48 and name HN )) 3.400 3.400 2.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.17736E-02 ppm1 8.431 ppm2 8.144 CV 1 ASSI { 155} (( segid " " and resid 46 and name HN )) (( segid " " and resid 47 and name HN )) 2.500 0.800 0.800 peak 155 spectrum 1 weight 0.10000E+01 volume 0.25264E-02 ppm1 8.142 ppm2 7.931 CV 1 ASSI { 157} (( segid " " and resid 47 and name HN )) (( segid " " and resid 48 and name HN )) 2.000 0.500 0.500 peak 157 spectrum 1 weight 0.10000E+01 volume 0.50126E-02 ppm1 7.934 ppm2 8.156 CV 1 ASSI { 171} (( segid " " and resid 54 and name HN )) (( segid " " and resid 55 and name HN )) 4.000 2.000 2.000 peak 171 spectrum 1 weight 0.10000E+01 volume 0.84019E-03 ppm1 7.591 ppm2 8.523 CV 1 ASSI { 174} (( segid " " and resid 56 and name HN )) (( segid " " and resid 55 and name HN )) 4.200 2.200 1.800 peak 174 spectrum 1 weight 0.10000E+01 volume 0.50615E-03 ppm1 8.224 ppm2 8.522 CV 1 ASSI { 175} (( segid " " and resid 59 and name HN )) (( segid " " and resid 58 and name HN )) 2.600 0.900 0.900 peak 175 spectrum 1 weight 0.10000E+01 volume 0.12900E-02 ppm1 8.586 ppm2 8.941 CV 1 ASSI { 178} (( segid " " and resid 61 and name HN )) (( segid " " and resid 59 and name HN )) 3.700 1.700 1.700 peak 178 spectrum 1 weight 0.10000E+01 volume 0.53794E-03 ppm1 7.893 ppm2 8.588 CV 1 ASSI { 179} (( segid " " and resid 61 and name HN )) (( segid " " and resid 58 and name HN )) 4.600 2.700 1.400 peak 179 spectrum 1 weight 0.10000E+01 volume 0.18361E-03 ppm1 7.894 ppm2 8.946 CV 1 ASSI { 180} (( segid " " and resid 61 and name HN )) (( segid " " and resid 63 and name HN )) 4.700 2.700 1.300 peak 180 spectrum 1 weight 0.10000E+01 volume 0.21148E-03 ppm1 7.895 ppm2 6.818 CV 1 ASSI { 182} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HE22)) 3.500 1.500 1.500 peak 182 spectrum 1 weight 0.10000E+01 volume 0.28147E-03 ppm1 7.858 ppm2 7.389 CV 1 ASSI { 184} (( segid " " and resid 62 and name HN )) (( segid " " and resid 63 and name HN )) 2.600 0.800 0.800 peak 184 spectrum 1 weight 0.10000E+01 volume 0.16453E-02 ppm1 7.858 ppm2 6.815 CV 1 ASSI { 186} (( segid " " and resid 63 and name HN )) (( segid " " and resid 64 and name HN )) 1.500 0.300 0.700 peak 186 spectrum 1 weight 0.10000E+01 volume 0.28020E-01 ppm1 6.810 ppm2 7.362 CV 1 ASSI { 191} (( segid " " and resid 64 and name HN )) (( segid " " and resid 61 and name HN )) 5.000 3.200 1.000 peak 191 spectrum 1 weight 0.10000E+01 volume 0.32996E-03 ppm1 7.400 ppm2 7.878 CV 1 ASSI { 193} (( segid " " and resid 64 and name HN )) (( segid " " and resid 65 and name HN )) 4.500 2.500 1.500 peak 193 spectrum 1 weight 0.10000E+01 volume 0.39730E-03 ppm1 7.400 ppm2 6.372 CV 1 ASSI { 194} (( segid " " and resid 66 and name HN )) (( segid " " and resid 69 and name HN )) 4.600 2.700 1.400 peak 194 spectrum 1 weight 0.10000E+01 volume 0.18859E-03 ppm1 8.822 ppm2 7.915 CV 1 ASSI { 195} (( segid " " and resid 66 and name HN )) (( segid " " and resid 67 and name HN )) 3.200 1.300 1.300 peak 195 spectrum 1 weight 0.10000E+01 volume 0.11308E-02 ppm1 8.818 ppm2 8.909 CV 1 ASSI { 197} (( segid " " and resid 67 and name HN )) (( segid " " and resid 67 and name HE )) 6.000 4.600 0.000 peak 197 spectrum 1 weight 0.10000E+01 volume 0.99300E-04 ppm1 8.908 ppm2 8.652 CV 1 ASSI { 198} (( segid " " and resid 67 and name HN )) (( segid " " and resid 70 and name HN )) 5.500 3.800 0.500 peak 198 spectrum 1 weight 0.10000E+01 volume 0.93494E-04 ppm1 8.909 ppm2 8.328 CV 1 ASSI { 200} (( segid " " and resid 67 and name HN )) (( segid " " and resid 68 and name HN )) 2.600 0.800 0.800 peak 200 spectrum 1 weight 0.10000E+01 volume 0.14822E-02 ppm1 8.909 ppm2 7.908 CV 1 ASSI { 202} (( segid " " and resid 68 and name HN )) (( segid " " and resid 66 and name HN )) 4.200 2.200 1.800 peak 202 spectrum 1 weight 0.10000E+01 volume 0.18713E-03 ppm1 7.905 ppm2 8.805 CV 1 ASSI { 203} (( segid " " and resid 70 and name HN )) (( segid " " and resid 71 and name HN )) 2.200 0.600 0.600 peak 203 spectrum 1 weight 0.10000E+01 volume 0.48776E-02 ppm1 8.325 ppm2 7.939 CV 1 ASSI { 206} (( segid " " and resid 71 and name HN )) (( segid " " and resid 73 and name HN )) 4.900 3.000 1.100 peak 206 spectrum 1 weight 0.10000E+01 volume 0.19321E-03 ppm1 7.949 ppm2 7.706 CV 1 ASSI { 216} (( segid " " and resid 74 and name HN )) (( segid " " and resid 75 and name HN )) 2.900 1.000 1.000 peak 216 spectrum 1 weight 0.10000E+01 volume 0.26554E-02 ppm1 7.916 ppm2 8.139 CV 1 ASSI { 217} (( segid " " and resid 74 and name HN )) (( segid " " and resid 73 and name HN )) 2.500 0.800 0.800 peak 217 spectrum 1 weight 0.10000E+01 volume 0.35450E-02 ppm1 7.916 ppm2 7.710 CV 1 ASSI { 219} (( segid " " and resid 78 and name HN )) (( segid " " and resid 79 and name HN )) 3.300 1.400 1.400 peak 219 spectrum 1 weight 0.10000E+01 volume 0.11487E-02 ppm1 8.180 ppm2 8.484 CV 1 ASSI { 220} (( segid " " and resid 78 and name HN )) (( segid " " and resid 77 and name HN )) 3.500 1.500 1.500 peak 220 spectrum 1 weight 0.10000E+01 volume 0.80404E-03 ppm1 8.183 ppm2 8.343 CV 1 ASSI { 224} (( segid " " and resid 80 and name HN )) (( segid " " and resid 79 and name HN )) 3.500 1.500 1.500 peak 224 spectrum 1 weight 0.10000E+01 volume 0.13793E-02 ppm1 8.023 ppm2 8.489 CV 1 ASSI { 225} (( segid " " and resid 80 and name HN )) (( segid " " and resid 81 and name HN )) 3.000 1.100 1.100 peak 225 spectrum 1 weight 0.10000E+01 volume 0.20237E-02 ppm1 8.024 ppm2 8.290 CV 1 ASSI { 228} (( segid " " and resid 86 and name HN )) (( segid " " and resid 85 and name HA )) 2.400 0.700 0.700 peak 228 spectrum 1 weight 0.10000E+01 volume 0.54328E-02 ppm1 8.393 ppm2 4.391 CV 1 ASSI { 230} (( segid " " and resid 87 and name HN )) (( segid " " and resid 85 and name HA )) 4.700 2.800 1.300 peak 230 spectrum 1 weight 0.10000E+01 volume 0.34778E-03 ppm1 8.266 ppm2 4.398 CV 1 ASSI { 231} (( segid " " and resid 87 and name HN )) (( segid " " and resid 86 and name HA )) 2.700 0.900 0.900 peak 231 spectrum 1 weight 0.10000E+01 volume 0.35456E-02 ppm1 8.267 ppm2 4.282 CV 1 ASSI { 234} (( segid " " and resid 88 and name HN )) (( segid " " and resid 87 and name HA )) 2.800 1.000 1.000 peak 234 spectrum 1 weight 0.10000E+01 volume 0.23072E-02 ppm1 8.324 ppm2 4.397 CV 1 ASSI { 237} (( segid " " and resid 4 and name HN )) (( segid " " and resid 3 and name HN )) 4.200 2.200 1.800 peak 237 spectrum 1 weight 0.10000E+01 volume 0.67525E-03 ppm1 8.177 ppm2 8.528 CV 1 ASSI { 243} (( segid " " and resid 32 and name HN )) ( segid " " and resid 65 and name HG2%) 6.000 4.700 0.000 peak 243 spectrum 1 weight 0.10000E+01 volume 0.86061E-04 ppm1 8.483 ppm2 0.975 CV 1
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