NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
27138 | 2p6j | 7401 | cing | 1-original | 4 | XPLOR/CNS | distance | NOE | ambi |
ASSI { 11} (( segid "ENHF" and resid 45 and name HB2 )) (( segid "ENHF" and resid 42 and name HA )) 4.000 1.600 1.600 peak 11 spectrum 1 weight 0.10000E+01 volume 0.25616E-03 ppm1 3.231 ppm2 4.040 CV 1 OR { 11} (( segid "ENHF" and resid 45 and name HB2 )) (( segid "ENHF" and resid 46 and name HA )) ASSI { 45} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HD2 )) 2.800 2.800 3.200 peak 45 spectrum 1 weight 0.10000E+01 volume 0.24471E-02 ppm1 2.933 ppm2 1.644 CV 1 OR { 45} (( segid "ENHF" and resid 52 and name HE2 )) (( segid "ENHF" and resid 52 and name HD1 )) OR { 45} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 17 and name HD2 )) OR { 45} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 17 and name HD1 )) OR { 45} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HD1 )) OR { 45} (( segid "ENHF" and resid 17 and name HE2 )) (( segid "ENHF" and resid 17 and name HD2 )) OR { 45} (( segid "ENHF" and resid 52 and name HE2 )) (( segid "ENHF" and resid 52 and name HD2 )) ASSI { 55} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 13 and name HG2 )) 3.100 1.000 1.000 peak 55 spectrum 1 weight 0.10000E+01 volume 0.13723E-02 ppm1 2.935 ppm2 1.348 CV 1 OR { 55} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 13 and name HG2 )) OR { 55} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HG1 )) OR { 55} (( segid "ENHF" and resid 52 and name HE2 )) (( segid "ENHF" and resid 52 and name HG1 )) OR { 55} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HG2 )) ASSI { 56} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HB1 )) 5.000 2.500 1.000 peak 56 spectrum 1 weight 0.10000E+01 volume 0.89729E-04 ppm1 2.925 ppm2 2.154 CV 1 OR { 56} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HB1 )) OR { 56} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 56} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 56} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 10 and name HB2 )) OR { 56} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 10 and name HB1 )) OR { 56} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 56} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 56} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 16 and name HB )) OR { 56} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 10 and name HB1 )) OR { 56} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 16 and name HB )) OR { 56} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 16 and name HB )) ASSI { 57} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 18 and name HD2 )) 2.800 0.800 0.800 peak 57 spectrum 1 weight 0.10000E+01 volume 0.25675E-02 ppm1 2.921 ppm2 3.066 CV 1 OR { 57} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 18 and name HD2 )) OR { 57} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 18 and name HD1 )) OR { 57} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 18 and name HD1 )) OR { 57} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 15 and name HB2 )) ASSI { 60} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 13 and name HB1 )) 2.600 0.700 0.700 peak 60 spectrum 1 weight 0.10000E+01 volume 0.42994E-02 ppm1 2.915 ppm2 1.917 CV 1 OR { 60} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 13 and name HB1 )) OR { 60} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 11 and name HB2 )) OR { 60} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 11 and name HB2 )) OR { 60} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 60} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 60} (( segid "ENHF" and resid 17 and name HE2 )) (( segid "ENHF" and resid 17 and name HB2 )) ASSI { 61} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 13 and name HD2 )) 2.400 0.600 0.600 peak 61 spectrum 1 weight 0.10000E+01 volume 0.56118E-02 ppm1 2.912 ppm2 1.691 CV 1 OR { 61} (( segid "ENHF" and resid 17 and name HE2 )) (( segid "ENHF" and resid 17 and name HD1 )) OR { 61} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 17 and name HD2 )) OR { 61} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 17 and name HD1 )) OR { 61} (( segid "ENHF" and resid 17 and name HE2 )) (( segid "ENHF" and resid 17 and name HD2 )) OR { 61} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 13 and name HD1 )) OR { 61} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 13 and name HD2 )) ASSI { 62} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HA )) 4.100 1.700 1.700 peak 62 spectrum 1 weight 0.10000E+01 volume 0.30711E-03 ppm1 2.908 ppm2 4.012 CV 1 OR { 62} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 10 and name HA )) OR { 62} (( segid "ENHF" and resid 17 and name HE2 )) (( segid "ENHF" and resid 17 and name HA )) OR { 62} (( segid "ENHF" and resid 17 and name HE1 )) (( segid "ENHF" and resid 17 and name HA )) OR { 62} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 67} (( segid "ENHF" and resid 48 and name HB1 )) (( segid "ENHF" and resid 48 and name HA )) 2.700 0.700 0.700 peak 67 spectrum 1 weight 0.10000E+01 volume 0.45331E-02 ppm1 2.892 ppm2 4.242 CV 1 OR { 67} (( segid "ENHF" and resid 48 and name HB1 )) (( segid "ENHF" and resid 45 and name HA )) ASSI { 69} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 13 and name HG2 )) 5.600 5.600 0.400 peak 69 spectrum 1 weight 0.10000E+01 volume 0.43102E-04 ppm1 2.893 ppm2 1.343 CV 1 OR { 69} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 13 and name HG2 )) OR { 69} (( segid "ENHF" and resid 52 and name HE2 )) (( segid "ENHF" and resid 52 and name HG2 )) OR { 69} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HG1 )) OR { 69} (( segid "ENHF" and resid 52 and name HE2 )) (( segid "ENHF" and resid 52 and name HG1 )) OR { 69} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HG2 )) ASSI { 82} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 9 and name HB1 )) 5.400 2.900 0.600 peak 82 spectrum 1 weight 0.10000E+01 volume 0.66884E-04 ppm1 2.743 ppm2 2.229 CV 1 OR { 82} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 9 and name HB2 )) OR { 82} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 32 and name HG2 )) ASSI { 84} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 27 and name HA )) 3.200 1.000 1.000 peak 84 spectrum 1 weight 0.10000E+01 volume 0.11182E-02 ppm1 2.739 ppm2 4.008 CV 1 OR { 84} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 30 and name HA )) ASSI { 90} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 43 and name HA )) 2.600 0.700 0.700 peak 90 spectrum 1 weight 0.10000E+01 volume 0.40179E-02 ppm1 2.570 ppm2 4.049 CV 1 OR { 90} (( segid "ENHF" and resid 29 and name HG1 )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 92} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 43 and name HG2 )) 1.600 0.200 0.600 peak 92 spectrum 1 weight 0.10000E+01 volume 0.50246E-01 ppm1 2.567 ppm2 2.401 CV 1 OR { 92} (( segid "ENHF" and resid 29 and name HG1 )) (( segid "ENHF" and resid 29 and name HG2 )) ASSI { 93} (( segid "ENHF" and resid 43 and name HG1 )) (( segid "ENHF" and resid 43 and name HB2 )) 2.200 0.500 0.500 peak 93 spectrum 1 weight 0.10000E+01 volume 0.91635E-02 ppm1 2.568 ppm2 2.199 CV 1 OR { 93} (( segid "ENHF" and resid 29 and name HG1 )) (( segid "ENHF" and resid 29 and name HB1 )) ASSI { 102} (( segid "ENHF" and resid 30 and name HB2 )) (( segid "ENHF" and resid 30 and name HA )) 2.700 0.700 0.700 peak 102 spectrum 1 weight 0.10000E+01 volume 0.31151E-02 ppm1 2.437 ppm2 4.012 CV 1 OR { 102} (( segid "ENHF" and resid 30 and name HB2 )) (( segid "ENHF" and resid 27 and name HA )) ASSI { 104} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 43 and name HA )) 2.700 0.700 0.700 peak 104 spectrum 1 weight 0.10000E+01 volume 0.39585E-02 ppm1 2.403 ppm2 4.058 CV 1 OR { 104} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 105} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 45 and name HA )) 2.800 2.800 3.200 peak 105 spectrum 1 weight 0.10000E+01 volume 0.28639E-02 ppm1 2.385 ppm2 4.180 CV 1 OR { 105} (( segid "ENHF" and resid 10 and name HG1 )) (( segid "ENHF" and resid 6 and name HA )) OR { 105} (( segid "ENHF" and resid 10 and name HG2 )) (( segid "ENHF" and resid 6 and name HA )) ASSI { 106} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 50 and name HA )) 2.700 0.700 0.700 peak 106 spectrum 1 weight 0.10000E+01 volume 0.35210E-02 ppm1 2.366 ppm2 4.193 CV 1 OR { 106} (( segid "ENHF" and resid 20 and name HG1 )) (( segid "ENHF" and resid 20 and name HA )) OR { 106} (( segid "ENHF" and resid 20 and name HG2 )) (( segid "ENHF" and resid 20 and name HA )) OR { 106} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 50 and name HA )) ASSI { 107} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 29 and name HB2 )) 2.100 0.400 0.400 peak 107 spectrum 1 weight 0.10000E+01 volume 0.16822E-01 ppm1 2.376 ppm2 2.102 CV 1 OR { 107} (( segid "ENHF" and resid 20 and name HG1 )) (( segid "ENHF" and resid 20 and name HB1 )) OR { 107} (( segid "ENHF" and resid 20 and name HG2 )) (( segid "ENHF" and resid 20 and name HB1 )) OR { 107} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 50 and name HB1 )) ASSI { 108} (( segid "ENHF" and resid 10 and name HG1 )) (( segid "ENHF" and resid 11 and name HB2 )) 2.500 0.600 0.600 peak 108 spectrum 1 weight 0.10000E+01 volume 0.59051E-02 ppm1 2.366 ppm2 1.912 CV 1 OR { 108} (( segid "ENHF" and resid 10 and name HG1 )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 108} (( segid "ENHF" and resid 10 and name HG2 )) (( segid "ENHF" and resid 11 and name HB2 )) OR { 108} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 47 and name HB2 )) OR { 108} (( segid "ENHF" and resid 10 and name HG2 )) (( segid "ENHF" and resid 11 and name HB1 )) ASSI { 110} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 14 and name HB1 )) 1.700 0.300 0.500 peak 110 spectrum 1 weight 0.10000E+01 volume 0.41675E-01 ppm1 2.376 ppm2 2.100 CV 1 OR { 110} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 110} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 46 and name HB2 )) OR { 110} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 14 and name HB2 )) ASSI { 111} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 42 and name HG1 )) 3.700 1.400 1.400 peak 111 spectrum 1 weight 0.10000E+01 volume 0.59899E-03 ppm1 2.376 ppm2 1.758 CV 1 OR { 111} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 13 and name HG1 )) OR { 111} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 13 and name HD1 )) OR { 111} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 13 and name HG1 )) ASSI { 112} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 14 and name HA )) 2.600 0.700 0.700 peak 112 spectrum 1 weight 0.10000E+01 volume 0.38704E-02 ppm1 2.365 ppm2 4.049 CV 1 OR { 112} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 14 and name HA )) OR { 112} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 46 and name HA )) ASSI { 113} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HB1 )) 3.000 0.900 0.900 peak 113 spectrum 1 weight 0.10000E+01 volume 0.27936E-02 ppm1 2.365 ppm2 1.631 CV 1 OR { 113} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 42 and name HG2 )) OR { 113} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HG1 )) OR { 113} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 118} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 33 and name HB1 )) 4.500 2.000 1.500 peak 118 spectrum 1 weight 0.10000E+01 volume 0.21941E-03 ppm1 2.357 ppm2 1.783 CV 1 OR { 118} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 33 and name HB1 )) OR { 118} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 33 and name HB2 )) OR { 118} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 3 and name HB2 )) OR { 118} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 41 and name HG11)) OR { 118} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 33 and name HB2 )) OR { 118} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 51 and name HB1 )) OR { 118} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 51 and name HB1 )) OR { 118} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 42 and name HG1 )) ASSI { 119} (( segid "ENHF" and resid 43 and name HG2 )) ( segid "ENHF" and resid 40 and name HB% ) 5.600 3.100 0.400 peak 119 spectrum 1 weight 0.10000E+01 volume 0.46499E-04 ppm1 2.359 ppm2 1.572 CV 1 OR { 119} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 51 and name HG1 )) OR { 119} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 51 and name HG1 )) OR { 119} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 42 and name HG2 )) OR { 119} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 51 and name HG2 )) OR { 119} (( segid "ENHF" and resid 20 and name HG2 )) (( segid "ENHF" and resid 21 and name HG1 )) OR { 119} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 51 and name HG2 )) OR { 119} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 52 and name HD1 )) OR { 119} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 52 and name HD2 )) OR { 119} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 52 and name HD1 )) OR { 119} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 33 and name HG2 )) OR { 119} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 33 and name HG2 )) ASSI { 121} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 50 and name HB2 )) 2.000 0.400 0.400 peak 121 spectrum 1 weight 0.10000E+01 volume 0.21173E-01 ppm1 2.345 ppm2 2.006 CV 1 OR { 121} (( segid "ENHF" and resid 20 and name HG2 )) (( segid "ENHF" and resid 20 and name HB2 )) OR { 121} (( segid "ENHF" and resid 20 and name HG1 )) (( segid "ENHF" and resid 20 and name HB2 )) OR { 121} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 50 and name HB2 )) OR { 121} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 32 and name HB2 )) ASSI { 122} (( segid "ENHF" and resid 32 and name HG1 )) ( segid "ENHF" and resid 41 and name HD1%) 4.300 1.900 1.700 peak 122 spectrum 1 weight 0.10000E+01 volume 0.21011E-03 ppm1 2.340 ppm2 0.513 CV 1 OR { 122} (( segid "ENHF" and resid 32 and name HG1 )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 126} (( segid "ENHF" and resid 26 and name HG2 )) (( segid "ENHF" and resid 25 and name HB1 )) 4.000 1.600 1.600 peak 126 spectrum 1 weight 0.10000E+01 volume 0.41784E-03 ppm1 2.329 ppm2 2.080 CV 1 OR { 126} (( segid "ENHF" and resid 26 and name HG1 )) (( segid "ENHF" and resid 25 and name HB1 )) OR { 126} (( segid "ENHF" and resid 26 and name HG1 )) (( segid "ENHF" and resid 29 and name HB2 )) OR { 126} (( segid "ENHF" and resid 26 and name HG2 )) (( segid "ENHF" and resid 29 and name HB2 )) OR { 126} (( segid "ENHF" and resid 9 and name HG2 )) (( segid "ENHF" and resid 10 and name HB2 )) OR { 126} (( segid "ENHF" and resid 9 and name HG1 )) (( segid "ENHF" and resid 8 and name HB )) OR { 126} (( segid "ENHF" and resid 9 and name HG2 )) (( segid "ENHF" and resid 8 and name HB )) OR { 126} (( segid "ENHF" and resid 9 and name HG2 )) (( segid "ENHF" and resid 10 and name HB1 )) ASSI { 132} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 3 and name HB2 )) 2.900 0.800 0.800 peak 132 spectrum 1 weight 0.10000E+01 volume 0.29531E-02 ppm1 2.301 ppm2 1.723 CV 1 OR { 132} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 13 and name HG1 )) OR { 132} (( segid "ENHF" and resid 39 and name HG1 )) (( segid "ENHF" and resid 3 and name HB2 )) OR { 132} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 13 and name HD1 )) OR { 132} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 13 and name HG1 )) ASSI { 134} (( segid "ENHF" and resid 38 and name HG2 )) ( segid "ENHF" and resid 31 and name HB% ) 3.600 1.300 1.300 peak 134 spectrum 1 weight 0.10000E+01 volume 0.84806E-03 ppm1 2.353 ppm2 1.279 CV 1 OR { 134} (( segid "ENHF" and resid 38 and name HG1 )) ( segid "ENHF" and resid 31 and name HB% ) OR { 134} (( segid "ENHF" and resid 38 and name HG1 )) (( segid "ENHF" and resid 36 and name HB2 )) OR { 134} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 12 and name HG )) OR { 134} (( segid "ENHF" and resid 38 and name HG2 )) (( segid "ENHF" and resid 36 and name HB2 )) OR { 134} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 12 and name HG )) OR { 134} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 36 and name HB2 )) ASSI { 136} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 42 and name HG1 )) 3.400 1.200 1.200 peak 136 spectrum 1 weight 0.10000E+01 volume 0.14800E-02 ppm1 2.348 ppm2 1.806 CV 1 OR { 136} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 13 and name HB2 )) ASSI { 141} (( segid "ENHF" and resid 3 and name HG1 )) ( segid "ENHF" and resid 40 and name HB% ) 4.800 2.300 1.200 peak 141 spectrum 1 weight 0.10000E+01 volume 0.13800E-03 ppm1 2.233 ppm2 1.572 CV 1 OR { 141} (( segid "ENHF" and resid 3 and name HG2 )) ( segid "ENHF" and resid 40 and name HB% ) OR { 141} (( segid "ENHF" and resid 24 and name HG1 )) (( segid "ENHF" and resid 27 and name HG )) OR { 141} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 27 and name HG )) ASSI { 145} (( segid "ENHF" and resid 43 and name HB2 )) (( segid "ENHF" and resid 43 and name HA )) 2.400 0.600 0.600 peak 145 spectrum 1 weight 0.10000E+01 volume 0.52032E-02 ppm1 2.187 ppm2 4.033 CV 1 OR { 145} (( segid "ENHF" and resid 29 and name HB1 )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 146} (( segid "ENHF" and resid 24 and name HG1 )) ( segid "ENHF" and resid 41 and name HD1%) 4.400 2.000 1.600 peak 146 spectrum 1 weight 0.10000E+01 volume 0.22912E-03 ppm1 2.212 ppm2 0.513 CV 1 OR { 146} (( segid "ENHF" and resid 32 and name HG2 )) ( segid "ENHF" and resid 41 and name HD1%) OR { 146} (( segid "ENHF" and resid 24 and name HG2 )) ( segid "ENHF" and resid 41 and name HD1%) OR { 146} (( segid "ENHF" and resid 32 and name HG2 )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 147} (( segid "ENHF" and resid 32 and name HG2 )) (( segid "ENHF" and resid 32 and name HA )) 3.000 0.900 0.900 peak 147 spectrum 1 weight 0.10000E+01 volume 0.18050E-02 ppm1 2.204 ppm2 4.034 CV 1 OR { 147} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 25 and name HA )) ASSI { 148} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 43 and name HG1 )) 5.100 2.600 0.900 peak 148 spectrum 1 weight 0.10000E+01 volume 0.69855E-04 ppm1 2.219 ppm2 2.558 CV 1 OR { 148} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 43 and name HG1 )) OR { 148} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 1 and name HG2 )) OR { 148} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 1 and name HG1 )) OR { 148} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 1 and name HG2 )) OR { 148} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 1 and name HG1 )) OR { 148} (( segid "ENHF" and resid 32 and name HG2 )) (( segid "ENHF" and resid 29 and name HG1 )) ASSI { 151} (( segid "ENHF" and resid 20 and name HB2 )) (( segid "ENHF" and resid 20 and name HA )) 2.400 0.600 0.600 peak 151 spectrum 1 weight 0.10000E+01 volume 0.83698E-02 ppm1 1.976 ppm2 4.194 CV 1 OR { 151} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 50 and name HA )) ASSI { 155} (( segid "ENHF" and resid 8 and name HB )) ( segid "ENHF" and resid 8 and name HG1%) 2.100 0.400 0.400 peak 155 spectrum 1 weight 0.10000E+01 volume 0.10160E-01 ppm1 2.104 ppm2 0.642 CV 1 OR { 155} (( segid "ENHF" and resid 8 and name HB )) ( segid "ENHF" and resid 36 and name HD2%) ASSI { 157} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 39 and name HG2 )) 1.800 0.300 0.400 peak 157 spectrum 1 weight 0.10000E+01 volume 0.29811E-01 ppm1 2.094 ppm2 2.361 CV 1 OR { 157} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 25 and name HG1 )) OR { 157} (( segid "ENHF" and resid 29 and name HB2 )) (( segid "ENHF" and resid 29 and name HG2 )) OR { 157} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 39 and name HG1 )) ASSI { 158} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 41 and name HG12)) 3.800 1.500 1.500 peak 158 spectrum 1 weight 0.10000E+01 volume 0.74071E-03 ppm1 2.089 ppm2 1.685 CV 1 OR { 158} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 27 and name HB2 )) ASSI { 159} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 39 and name HA )) 2.700 0.700 0.700 peak 159 spectrum 1 weight 0.10000E+01 volume 0.43136E-02 ppm1 2.084 ppm2 4.107 CV 1 OR { 159} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 25 and name HA )) ASSI { 161} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 3 and name HB2 )) 3.600 1.300 1.300 peak 161 spectrum 1 weight 0.10000E+01 volume 0.91628E-03 ppm1 2.077 ppm2 1.789 CV 1 OR { 161} (( segid "ENHF" and resid 29 and name HB2 )) (( segid "ENHF" and resid 33 and name HB1 )) OR { 161} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 41 and name HB )) OR { 161} (( segid "ENHF" and resid 29 and name HB2 )) (( segid "ENHF" and resid 33 and name HB2 )) OR { 161} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 41 and name HG11)) ASSI { 171} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 18 and name HB1 )) 3.000 0.900 0.900 peak 171 spectrum 1 weight 0.10000E+01 volume 0.27263E-02 ppm1 2.077 ppm2 1.630 CV 1 OR { 171} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 18 and name HB1 )) OR { 171} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 18 and name HG1 )) OR { 171} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 11 and name HG1 )) OR { 171} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 172} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 11 and name HG2 )) 3.600 1.300 1.300 peak 172 spectrum 1 weight 0.10000E+01 volume 0.84411E-03 ppm1 2.076 ppm2 1.453 CV 1 OR { 172} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 11 and name HG2 )) OR { 172} (( segid "ENHF" and resid 10 and name HB1 )) (( segid "ENHF" and resid 11 and name HG2 )) OR { 172} (( segid "ENHF" and resid 10 and name HB1 )) (( segid "ENHF" and resid 12 and name HB1 )) OR { 172} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 17 and name HG2 )) OR { 172} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 12 and name HB1 )) OR { 172} (( segid "ENHF" and resid 3 and name HB1 )) (( segid "ENHF" and resid 36 and name HB1 )) OR { 172} (( segid "ENHF" and resid 10 and name HB2 )) (( segid "ENHF" and resid 12 and name HB1 )) OR { 172} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 17 and name HG2 )) OR { 172} (( segid "ENHF" and resid 10 and name HB2 )) (( segid "ENHF" and resid 11 and name HG2 )) ASSI { 173} (( segid "ENHF" and resid 6 and name HB2 )) (( segid "ENHF" and resid 6 and name HA )) 2.000 0.400 0.400 peak 173 spectrum 1 weight 0.10000E+01 volume 0.16468E-01 ppm1 2.069 ppm2 4.190 CV 1 OR { 173} (( segid "ENHF" and resid 3 and name HB1 )) (( segid "ENHF" and resid 3 and name HA )) OR { 173} (( segid "ENHF" and resid 50 and name HB1 )) (( segid "ENHF" and resid 50 and name HA )) OR { 173} (( segid "ENHF" and resid 20 and name HB1 )) (( segid "ENHF" and resid 20 and name HA )) ASSI { 174} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 25 and name HG1 )) 1.700 0.300 0.500 peak 174 spectrum 1 weight 0.10000E+01 volume 0.53527E-01 ppm1 2.065 ppm2 2.360 CV 1 OR { 174} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 174} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 174} (( segid "ENHF" and resid 6 and name HB1 )) (( segid "ENHF" and resid 6 and name HG2 )) OR { 174} (( segid "ENHF" and resid 6 and name HB2 )) (( segid "ENHF" and resid 6 and name HG1 )) OR { 174} (( segid "ENHF" and resid 20 and name HB1 )) (( segid "ENHF" and resid 20 and name HG1 )) OR { 174} (( segid "ENHF" and resid 50 and name HB1 )) (( segid "ENHF" and resid 50 and name HG2 )) OR { 174} (( segid "ENHF" and resid 20 and name HB1 )) (( segid "ENHF" and resid 20 and name HG2 )) OR { 174} (( segid "ENHF" and resid 50 and name HB1 )) (( segid "ENHF" and resid 50 and name HG1 )) OR { 174} (( segid "ENHF" and resid 6 and name HB2 )) (( segid "ENHF" and resid 6 and name HG2 )) OR { 174} (( segid "ENHF" and resid 6 and name HB1 )) (( segid "ENHF" and resid 6 and name HG1 )) ASSI { 176} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 51 and name HG1 )) 3.700 1.300 1.300 peak 176 spectrum 1 weight 0.10000E+01 volume 0.65521E-03 ppm1 2.001 ppm2 1.597 CV 1 OR { 176} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 51 and name HG2 )) OR { 176} (( segid "ENHF" and resid 39 and name HB2 )) ( segid "ENHF" and resid 40 and name HB% ) ASSI { 177} (( segid "ENHF" and resid 32 and name HB1 )) (( segid "ENHF" and resid 32 and name HG1 )) 1.800 0.300 0.400 peak 177 spectrum 1 weight 0.10000E+01 volume 0.34407E-01 ppm1 1.999 ppm2 2.338 CV 1 OR { 177} (( segid "ENHF" and resid 39 and name HB2 )) (( segid "ENHF" and resid 39 and name HG2 )) OR { 177} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 50 and name HG2 )) OR { 177} (( segid "ENHF" and resid 32 and name HB2 )) (( segid "ENHF" and resid 32 and name HG1 )) ASSI { 179} (( segid "ENHF" and resid 32 and name HB1 )) ( segid "ENHF" and resid 41 and name HD1%) 6.000 4.900 0.000 peak 179 spectrum 1 weight 0.10000E+01 volume 0.15897E-04 ppm1 2.012 ppm2 0.509 CV 1 OR { 179} (( segid "ENHF" and resid 32 and name HB2 )) ( segid "ENHF" and resid 41 and name HD1%) OR { 179} (( segid "ENHF" and resid 32 and name HB2 )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 184} (( segid "ENHF" and resid 49 and name HB1 )) (( segid "ENHF" and resid 49 and name HA )) 2.400 0.600 0.600 peak 184 spectrum 1 weight 0.10000E+01 volume 0.62584E-02 ppm1 2.001 ppm2 4.112 CV 1 OR { 184} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 39 and name HA )) ASSI { 185} (( segid "ENHF" and resid 42 and name HB2 )) (( segid "ENHF" and resid 42 and name HA )) 2.400 0.600 0.600 peak 185 spectrum 1 weight 0.10000E+01 volume 0.62705E-02 ppm1 1.991 ppm2 4.019 CV 1 OR { 185} (( segid "ENHF" and resid 47 and name HB1 )) (( segid "ENHF" and resid 47 and name HA )) OR { 185} (( segid "ENHF" and resid 42 and name HB1 )) (( segid "ENHF" and resid 42 and name HA )) ASSI { 193} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HG1 )) 2.100 0.400 0.400 peak 193 spectrum 1 weight 0.10000E+01 volume 0.13686E-01 ppm1 1.930 ppm2 1.619 CV 1 OR { 193} (( segid "ENHF" and resid 17 and name HB2 )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 193} (( segid "ENHF" and resid 17 and name HB1 )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 193} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HG1 )) ASSI { 205} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 50 and name HG1 )) 2.000 0.400 0.400 peak 205 spectrum 1 weight 0.10000E+01 volume 0.20730E-01 ppm1 1.982 ppm2 2.355 CV 1 OR { 205} (( segid "ENHF" and resid 20 and name HB2 )) (( segid "ENHF" and resid 20 and name HG2 )) OR { 205} (( segid "ENHF" and resid 20 and name HB2 )) (( segid "ENHF" and resid 20 and name HG1 )) OR { 205} (( segid "ENHF" and resid 50 and name HB2 )) (( segid "ENHF" and resid 50 and name HG2 )) ASSI { 252} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 17 and name HG1 )) 3.100 1.000 1.000 peak 252 spectrum 1 weight 0.10000E+01 volume 0.24769E-02 ppm1 1.719 ppm2 1.573 CV 1 OR { 252} (( segid "ENHF" and resid 13 and name HG1 )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 266} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 27 and name HD1%) 2.500 0.600 0.600 peak 266 spectrum 1 weight 0.10000E+01 volume 0.51295E-02 ppm1 1.642 ppm2 0.840 CV 1 OR { 266} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 22 and name HG2%) OR { 266} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 27 and name HD2%) ASSI { 279} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 18 and name HA )) 2.900 0.800 0.800 peak 279 spectrum 1 weight 0.10000E+01 volume 0.28527E-02 ppm1 1.617 ppm2 4.120 CV 1 OR { 279} (( segid "ENHF" and resid 42 and name HG2 )) (( segid "ENHF" and resid 46 and name HA )) ASSI { 281} (( segid "ENHF" and resid 33 and name HG2 )) (( segid "ENHF" and resid 33 and name HA )) 3.100 0.900 0.900 peak 281 spectrum 1 weight 0.10000E+01 volume 0.14053E-02 ppm1 1.599 ppm2 4.017 CV 1 OR { 281} (( segid "ENHF" and resid 27 and name HG )) (( segid "ENHF" and resid 27 and name HA )) OR { 281} (( segid "ENHF" and resid 42 and name HG2 )) (( segid "ENHF" and resid 42 and name HA )) OR { 281} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 282} (( segid "ENHF" and resid 42 and name HG2 )) (( segid "ENHF" and resid 42 and name HG1 )) 1.700 0.300 0.500 peak 282 spectrum 1 weight 0.10000E+01 volume 0.34074E-01 ppm1 1.607 ppm2 1.809 CV 1 OR { 282} (( segid "ENHF" and resid 51 and name HG2 )) (( segid "ENHF" and resid 51 and name HB1 )) OR { 282} (( segid "ENHF" and resid 33 and name HG2 )) (( segid "ENHF" and resid 33 and name HB1 )) ASSI { 287} (( segid "ENHF" and resid 2 and name HD1 )) (( segid "ENHF" and resid 2 and name HA )) 4.200 1.800 1.800 peak 287 spectrum 1 weight 0.10000E+01 volume 0.37218E-03 ppm1 1.550 ppm2 4.093 CV 1 OR { 287} (( segid "ENHF" and resid 11 and name HD2 )) (( segid "ENHF" and resid 11 and name HA )) OR { 287} (( segid "ENHF" and resid 11 and name HD1 )) (( segid "ENHF" and resid 11 and name HA )) OR { 287} (( segid "ENHF" and resid 2 and name HD2 )) (( segid "ENHF" and resid 2 and name HA )) ASSI { 303} (( segid "ENHF" and resid 22 and name HG11)) ( segid "ENHF" and resid 22 and name HD1%) 2.600 0.700 0.700 peak 303 spectrum 1 weight 0.10000E+01 volume 0.29443E-02 ppm1 1.517 ppm2 0.696 CV 1 OR { 303} (( segid "ENHF" and resid 36 and name HG )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 312} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HB2 )) 3.000 0.900 0.900 peak 312 spectrum 1 weight 0.10000E+01 volume 0.16131E-02 ppm1 1.482 ppm2 1.935 CV 1 OR { 312} (( segid "ENHF" and resid 17 and name HG2 )) (( segid "ENHF" and resid 17 and name HB1 )) OR { 312} (( segid "ENHF" and resid 11 and name HG2 )) (( segid "ENHF" and resid 11 and name HB1 )) ASSI { 348} (( segid "ENHF" and resid 36 and name HB2 )) ( segid "ENHF" and resid 36 and name HD2%) 3.600 1.300 1.300 peak 348 spectrum 1 weight 0.10000E+01 volume 0.10861E-02 ppm1 1.252 ppm2 0.619 CV 1 OR { 348} (( segid "ENHF" and resid 36 and name HB2 )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 353} (( segid "ENHF" and resid 22 and name HG12)) (( segid "ENHF" and resid 22 and name HB )) 3.600 1.300 1.300 peak 353 spectrum 1 weight 0.10000E+01 volume 0.69310E-03 ppm1 1.224 ppm2 1.883 CV 1 OR { 353} (( segid "ENHF" and resid 22 and name HG12)) (( segid "ENHF" and resid 26 and name HB2 )) ASSI { 365} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 45 and name HE% ) 4.700 2.200 1.300 peak 365 spectrum 1 weight 0.10000E+01 volume 0.12717E-03 ppm1 1.054 ppm2 7.202 CV 1 OR { 365} ( segid "ENHF" and resid 16 and name HG2%) ( segid "ENHF" and resid 48 and name HE% ) ASSI { 375} ( segid "ENHF" and resid 8 and name HG2%) ( segid "ENHF" and resid 8 and name HG1%) 2.100 0.400 0.400 peak 375 spectrum 1 weight 0.10000E+01 volume 0.11518E-01 ppm1 0.956 ppm2 0.640 CV 1 OR { 375} ( segid "ENHF" and resid 8 and name HG2%) ( segid "ENHF" and resid 36 and name HD2%) ASSI { 376} ( segid "ENHF" and resid 8 and name HG2%) ( segid "ENHF" and resid 34 and name HD2%) 3.200 1.000 1.000 peak 376 spectrum 1 weight 0.10000E+01 volume 0.22197E-02 ppm1 0.956 ppm2 0.527 CV 1 OR { 376} ( segid "ENHF" and resid 8 and name HG2%) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 377} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 45 and name HE% ) 4.400 1.900 1.600 peak 377 spectrum 1 weight 0.10000E+01 volume 0.16611E-03 ppm1 0.924 ppm2 7.196 CV 1 OR { 377} ( segid "ENHF" and resid 16 and name HG1%) ( segid "ENHF" and resid 48 and name HE% ) OR { 377} ( segid "ENHF" and resid 16 and name HG1%) (( segid "ENHF" and resid 48 and name HZ )) ASSI { 399} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 36 and name HG )) 3.500 1.200 1.200 peak 399 spectrum 1 weight 0.10000E+01 volume 0.68111E-03 ppm1 0.646 ppm2 1.470 CV 1 OR { 399} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 34 and name HB1 )) ASSI { 400} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 34 and name HB2 )) 3.500 1.200 1.200 peak 400 spectrum 1 weight 0.10000E+01 volume 0.60768E-03 ppm1 0.643 ppm2 1.399 CV 1 OR { 400} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 12 and name HB1 )) ASSI { 401} ( segid "ENHF" and resid 8 and name HG1%) (( segid "ENHF" and resid 36 and name HB2 )) 4.200 1.800 1.800 peak 401 spectrum 1 weight 0.10000E+01 volume 0.74503E-03 ppm1 0.643 ppm2 1.265 CV 1 OR { 401} ( segid "ENHF" and resid 8 and name HG1%) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 410} ( segid "ENHF" and resid 36 and name HD2%) (( segid "ENHF" and resid 36 and name HB2 )) 3.400 1.100 1.100 peak 410 spectrum 1 weight 0.10000E+01 volume 0.16428E-02 ppm1 0.613 ppm2 1.260 CV 1 OR { 410} ( segid "ENHF" and resid 36 and name HD2%) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 420} ( segid "ENHF" and resid 36 and name HD1%) ( segid "ENHF" and resid 31 and name HB% ) 2.500 0.600 0.600 peak 420 spectrum 1 weight 0.10000E+01 volume 0.41792E-02 ppm1 0.516 ppm2 1.265 CV 1 OR { 420} ( segid "ENHF" and resid 36 and name HD1%) (( segid "ENHF" and resid 36 and name HB2 )) ASSI { 432} ( segid "ENHF" and resid 12 and name HD1%) (( segid "ENHF" and resid 31 and name HA )) 4.400 2.000 1.600 peak 432 spectrum 1 weight 0.10000E+01 volume 0.17119E-03 ppm1 0.248 ppm2 3.521 CV 1 OR { 432} ( segid "ENHF" and resid 12 and name HD1%) (( segid "ENHF" and resid 8 and name HA )) ASSI { 444} (( segid "ENHF" and resid 34 and name HB2 )) ( segid "ENHF" and resid 34 and name HD2%) 3.200 1.000 1.000 peak 444 spectrum 1 weight 0.10000E+01 volume 0.22731E-02 ppm1 1.373 ppm2 0.532 CV 1 OR { 444} (( segid "ENHF" and resid 34 and name HB2 )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 456} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 3 and name HB1 )) 5.100 2.600 0.900 peak 456 spectrum 1 weight 0.10000E+01 volume 0.82559E-04 ppm1 1.563 ppm2 2.080 CV 1 OR { 456} ( segid "ENHF" and resid 40 and name HB% ) (( segid "ENHF" and resid 39 and name HB1 )) ASSI { 462} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 28 and name HD2 )) 6.000 4.800 0.000 peak 462 spectrum 1 weight 0.10000E+01 volume 0.15044E-04 ppm1 1.285 ppm2 7.183 CV 1 OR { 462} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 45 and name HE% ) ASSI { 466} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 28 and name HB2 )) 5.900 3.500 0.100 peak 466 spectrum 1 weight 0.10000E+01 volume 0.40293E-04 ppm1 1.274 ppm2 3.413 CV 1 OR { 466} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 4 and name HB1 )) ASSI { 467} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 32 and name HG1 )) 4.600 2.100 1.400 peak 467 spectrum 1 weight 0.10000E+01 volume 0.16068E-03 ppm1 1.278 ppm2 2.345 CV 1 OR { 467} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 38 and name HG2 )) OR { 467} ( segid "ENHF" and resid 31 and name HB% ) (( segid "ENHF" and resid 38 and name HG1 )) ASSI { 469} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 41 and name HG2%) 3.300 1.100 1.100 peak 469 spectrum 1 weight 0.10000E+01 volume 0.27819E-02 ppm1 1.280 ppm2 0.615 CV 1 OR { 469} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 36 and name HD2%) OR { 469} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 470} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 41 and name HD1%) 2.400 0.600 0.600 peak 470 spectrum 1 weight 0.10000E+01 volume 0.55344E-02 ppm1 1.276 ppm2 0.519 CV 1 OR { 470} ( segid "ENHF" and resid 31 and name HB% ) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 476} ( segid "ENHF" and resid 41 and name HG2%) (( segid "ENHF" and resid 28 and name HA )) 3.500 1.200 1.200 peak 476 spectrum 1 weight 0.10000E+01 volume 0.70581E-03 ppm1 0.625 ppm2 4.055 CV 1 OR { 476} ( segid "ENHF" and resid 41 and name HG2%) (( segid "ENHF" and resid 42 and name HA )) ASSI { 481} ( segid "ENHF" and resid 41 and name HG2%) (( segid "ENHF" and resid 27 and name HG )) 4.800 2.300 1.200 peak 481 spectrum 1 weight 0.10000E+01 volume 0.13703E-03 ppm1 0.617 ppm2 1.588 CV 1 OR { 481} ( segid "ENHF" and resid 41 and name HG2%) ( segid "ENHF" and resid 40 and name HB% ) OR { 481} ( segid "ENHF" and resid 41 and name HG2%) (( segid "ENHF" and resid 42 and name HG2 )) ASSI { 487} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 22 and name HA )) 3.200 1.000 1.000 peak 487 spectrum 1 weight 0.10000E+01 volume 0.16043E-02 ppm1 0.845 ppm2 4.389 CV 1 OR { 487} ( segid "ENHF" and resid 22 and name HG2%) (( segid "ENHF" and resid 21 and name HA )) ASSI { 500} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 16 and name HA )) 3.900 1.500 1.500 peak 500 spectrum 1 weight 0.10000E+01 volume 0.24582E-03 ppm1 0.690 ppm2 3.576 CV 1 OR { 500} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 31 and name HA )) ASSI { 501} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 19 and name HB1 )) 5.000 2.500 1.000 peak 501 spectrum 1 weight 0.10000E+01 volume 0.56052E-04 ppm1 0.693 ppm2 2.961 CV 1 OR { 501} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 11 and name HE1 )) ASSI { 502} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 19 and name HB2 )) 4.300 1.800 1.700 peak 502 spectrum 1 weight 0.10000E+01 volume 0.15892E-03 ppm1 0.690 ppm2 2.520 CV 1 OR { 502} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 29 and name HG1 )) ASSI { 504} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 22 and name HB )) 2.900 0.800 0.800 peak 504 spectrum 1 weight 0.10000E+01 volume 0.22908E-02 ppm1 0.691 ppm2 1.885 CV 1 OR { 504} ( segid "ENHF" and resid 22 and name HD1%) (( segid "ENHF" and resid 26 and name HB2 )) ASSI { 514} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 24 and name HG1 )) 5.300 2.800 0.700 peak 514 spectrum 1 weight 0.10000E+01 volume 0.33737E-04 ppm1 0.518 ppm2 2.200 CV 1 OR { 514} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 32 and name HG2 )) OR { 514} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 24 and name HG2 )) ASSI { 515} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 38 and name HB1 )) 3.700 1.400 1.400 peak 515 spectrum 1 weight 0.10000E+01 volume 0.29722E-03 ppm1 0.507 ppm2 2.017 CV 1 OR { 515} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 38 and name HB2 )) OR { 515} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 32 and name HB1 )) OR { 515} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 32 and name HB2 )) ASSI { 516} ( segid "ENHF" and resid 41 and name HD1%) ( segid "ENHF" and resid 40 and name HB% ) 4.300 1.900 1.700 peak 516 spectrum 1 weight 0.10000E+01 volume 0.11546E-03 ppm1 0.509 ppm2 1.592 CV 1 OR { 516} ( segid "ENHF" and resid 41 and name HD1%) (( segid "ENHF" and resid 27 and name HG )) ASSI { 523} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HB1 )) 2.900 0.800 0.800 peak 523 spectrum 1 weight 0.10000E+01 volume 0.20079E-02 ppm1 3.113 ppm2 1.826 CV 1 OR { 523} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HB1 )) OR { 523} (( segid "ENHF" and resid 33 and name HD1 )) (( segid "ENHF" and resid 33 and name HB2 )) OR { 523} (( segid "ENHF" and resid 33 and name HD2 )) (( segid "ENHF" and resid 33 and name HB2 )) ASSI { 524} (( segid "ENHF" and resid 33 and name HD2 )) (( segid "ENHF" and resid 33 and name HG1 )) 2.800 0.800 0.800 peak 524 spectrum 1 weight 0.10000E+01 volume 0.26232E-02 ppm1 3.112 ppm2 1.743 CV 1 OR { 524} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HB2 )) OR { 524} (( segid "ENHF" and resid 33 and name HD1 )) (( segid "ENHF" and resid 33 and name HG1 )) OR { 524} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HB2 )) ASSI { 525} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 49 and name HG1 )) 5.300 2.800 0.700 peak 525 spectrum 1 weight 0.10000E+01 volume 0.35730E-04 ppm1 3.104 ppm2 2.240 CV 1 OR { 525} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 46 and name HB1 )) OR { 525} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 49 and name HG2 )) OR { 525} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 46 and name HB1 )) OR { 525} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 49 and name HG2 )) ASSI { 527} (( segid "ENHF" and resid 42 and name HD2 )) (( segid "ENHF" and resid 39 and name HA )) 5.200 2.700 0.800 peak 527 spectrum 1 weight 0.10000E+01 volume 0.55839E-04 ppm1 3.252 ppm2 4.125 CV 1 OR { 527} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 39 and name HA )) OR { 527} (( segid "ENHF" and resid 42 and name HD1 )) (( segid "ENHF" and resid 46 and name HA )) ASSI { 534} (( segid "ENHF" and resid 34 and name HB1 )) (( segid "ENHF" and resid 8 and name HA )) 5.800 3.400 0.200 peak 534 spectrum 1 weight 0.10000E+01 volume 0.64979E-04 ppm1 1.486 ppm2 3.524 CV 1 OR { 534} (( segid "ENHF" and resid 34 and name HB1 )) (( segid "ENHF" and resid 31 and name HA )) ASSI { 535} (( segid "ENHF" and resid 34 and name HB2 )) (( segid "ENHF" and resid 31 and name HA )) 4.900 2.400 1.100 peak 535 spectrum 1 weight 0.10000E+01 volume 0.87481E-04 ppm1 1.386 ppm2 3.524 CV 1 OR { 535} (( segid "ENHF" and resid 34 and name HB2 )) (( segid "ENHF" and resid 8 and name HA )) ASSI { 537} (( segid "ENHF" and resid 13 and name HE1 )) (( segid "ENHF" and resid 14 and name HA )) 4.600 2.100 1.400 peak 537 spectrum 1 weight 0.10000E+01 volume 0.17089E-03 ppm1 2.928 ppm2 4.070 CV 1 OR { 537} (( segid "ENHF" and resid 11 and name HE2 )) (( segid "ENHF" and resid 11 and name HA )) OR { 537} (( segid "ENHF" and resid 11 and name HE1 )) (( segid "ENHF" and resid 11 and name HA )) OR { 537} (( segid "ENHF" and resid 13 and name HE2 )) (( segid "ENHF" and resid 14 and name HA )) OR { 537} (( segid "ENHF" and resid 52 and name HE1 )) (( segid "ENHF" and resid 52 and name HA )) ASSI { 540} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 31 and name HB% ) 5.800 3.400 0.200 peak 540 spectrum 1 weight 0.10000E+01 volume 0.40707E-04 ppm1 1.640 ppm2 1.292 CV 1 OR { 540} (( segid "ENHF" and resid 27 and name HB2 )) ( segid "ENHF" and resid 23 and name HG2%) OR { 540} (( segid "ENHF" and resid 27 and name HB2 )) (( segid "ENHF" and resid 12 and name HG )) ASSI { 548} (( segid "ENHF" and resid 48 and name HB2 )) (( segid "ENHF" and resid 48 and name HA )) 2.700 0.800 0.800 peak 548 spectrum 1 weight 0.10000E+01 volume 0.24234E-02 ppm1 2.584 ppm2 4.244 CV 1 OR { 548} (( segid "ENHF" and resid 48 and name HB2 )) (( segid "ENHF" and resid 45 and name HA )) ASSI { 556} (( segid "ENHF" and resid 44 and name HB2 )) ( segid "ENHF" and resid 41 and name HG2%) 6.000 5.800 0.000 peak 556 spectrum 1 weight 0.10000E+01 volume 0.86504E-05 ppm1 2.844 ppm2 0.612 CV 1 OR { 556} (( segid "ENHF" and resid 7 and name HB1 )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 559} (( segid "ENHF" and resid 44 and name HB2 )) ( segid "ENHF" and resid 48 and name HD% ) 6.000 3.900 0.000 peak 559 spectrum 1 weight 0.10000E+01 volume 0.32746E-04 ppm1 2.843 ppm2 7.063 CV 1 OR { 559} (( segid "ENHF" and resid 44 and name HB2 )) (( segid "ENHF" and resid 45 and name HZ )) ASSI { 562} (( segid "ENHF" and resid 44 and name HB2 )) (( segid "ENHF" and resid 41 and name HA )) 4.000 1.600 1.600 peak 562 spectrum 1 weight 0.10000E+01 volume 0.28609E-03 ppm1 2.839 ppm2 3.477 CV 1 OR { 562} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 8 and name HA )) ASSI { 565} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 10 and name HB1 )) 5.500 3.000 0.500 peak 565 spectrum 1 weight 0.10000E+01 volume 0.72877E-04 ppm1 2.819 ppm2 2.132 CV 1 OR { 565} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 8 and name HB )) OR { 565} (( segid "ENHF" and resid 7 and name HB1 )) (( segid "ENHF" and resid 10 and name HB2 )) ASSI { 566} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 10 and name HB1 )) 5.400 2.900 0.600 peak 566 spectrum 1 weight 0.10000E+01 volume 0.98805E-04 ppm1 2.750 ppm2 2.129 CV 1 OR { 566} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 8 and name HB )) OR { 566} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 29 and name HB1 )) OR { 566} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 29 and name HB2 )) ASSI { 568} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 6 and name HG2 )) 3.500 1.200 1.200 peak 568 spectrum 1 weight 0.10000E+01 volume 0.60512E-03 ppm1 2.738 ppm2 2.313 CV 1 OR { 568} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 26 and name HB1 )) OR { 568} (( segid "ENHF" and resid 30 and name HB1 )) (( segid "ENHF" and resid 26 and name HG1 )) OR { 568} (( segid "ENHF" and resid 7 and name HB2 )) (( segid "ENHF" and resid 6 and name HG1 )) ASSI { 572} (( segid "ENHF" and resid 25 and name HG2 )) (( segid "ENHF" and resid 28 and name HB1 )) 5.900 3.500 0.100 peak 572 spectrum 1 weight 0.10000E+01 volume 0.42675E-04 ppm1 2.296 ppm2 3.410 CV 1 OR { 572} (( segid "ENHF" and resid 25 and name HG2 )) (( segid "ENHF" and resid 28 and name HB2 )) OR { 572} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 4 and name HB1 )) ASSI { 576} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HB1 )) 5.800 3.400 0.200 peak 576 spectrum 1 weight 0.10000E+01 volume 0.52391E-04 ppm1 2.302 ppm2 1.599 CV 1 OR { 576} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HG1 )) OR { 576} (( segid "ENHF" and resid 39 and name HG1 )) ( segid "ENHF" and resid 40 and name HB% ) OR { 576} (( segid "ENHF" and resid 39 and name HG2 )) ( segid "ENHF" and resid 40 and name HB% ) OR { 576} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 579} (( segid "ENHF" and resid 39 and name HG1 )) (( segid "ENHF" and resid 39 and name HA )) 2.500 0.600 0.600 peak 579 spectrum 1 weight 0.10000E+01 volume 0.64044E-02 ppm1 2.359 ppm2 4.092 CV 1 OR { 579} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 46 and name HA )) OR { 579} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 11 and name HA )) OR { 579} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 39 and name HA )) OR { 579} (( segid "ENHF" and resid 10 and name HG2 )) (( segid "ENHF" and resid 11 and name HA )) ASSI { 580} (( segid "ENHF" and resid 39 and name HG2 )) (( segid "ENHF" and resid 39 and name HB1 )) 1.600 0.300 0.600 peak 580 spectrum 1 weight 0.10000E+01 volume 0.61081E-01 ppm1 2.361 ppm2 2.070 CV 1 OR { 580} (( segid "ENHF" and resid 38 and name HG2 )) (( segid "ENHF" and resid 38 and name HB1 )) OR { 580} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 14 and name HB1 )) OR { 580} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 580} (( segid "ENHF" and resid 6 and name HG2 )) (( segid "ENHF" and resid 6 and name HB1 )) OR { 580} (( segid "ENHF" and resid 6 and name HG1 )) (( segid "ENHF" and resid 6 and name HB2 )) OR { 580} (( segid "ENHF" and resid 38 and name HG1 )) (( segid "ENHF" and resid 38 and name HB2 )) OR { 580} (( segid "ENHF" and resid 39 and name HG1 )) (( segid "ENHF" and resid 39 and name HB1 )) OR { 580} (( segid "ENHF" and resid 6 and name HG2 )) (( segid "ENHF" and resid 6 and name HB2 )) OR { 580} (( segid "ENHF" and resid 6 and name HG1 )) (( segid "ENHF" and resid 6 and name HB1 )) OR { 580} (( segid "ENHF" and resid 38 and name HG2 )) (( segid "ENHF" and resid 38 and name HB2 )) ASSI { 581} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HB1 )) 3.800 1.400 1.400 peak 581 spectrum 1 weight 0.10000E+01 volume 0.67275E-03 ppm1 2.358 ppm2 1.602 CV 1 OR { 581} (( segid "ENHF" and resid 46 and name HG2 )) (( segid "ENHF" and resid 42 and name HG2 )) OR { 581} (( segid "ENHF" and resid 14 and name HG2 )) (( segid "ENHF" and resid 18 and name HG1 )) OR { 581} (( segid "ENHF" and resid 39 and name HG1 )) ( segid "ENHF" and resid 40 and name HB% ) OR { 581} (( segid "ENHF" and resid 39 and name HG2 )) ( segid "ENHF" and resid 40 and name HB% ) OR { 581} (( segid "ENHF" and resid 14 and name HG1 )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 583} (( segid "ENHF" and resid 38 and name HG2 )) ( segid "ENHF" and resid 41 and name HG2%) 6.000 3.800 0.000 peak 583 spectrum 1 weight 0.10000E+01 volume 0.31342E-04 ppm1 2.371 ppm2 0.620 CV 1 OR { 583} (( segid "ENHF" and resid 38 and name HG1 )) ( segid "ENHF" and resid 41 and name HG2%) OR { 583} (( segid "ENHF" and resid 10 and name HG1 )) ( segid "ENHF" and resid 8 and name HG1%) OR { 583} (( segid "ENHF" and resid 10 and name HG2 )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 587} (( segid "ENHF" and resid 32 and name HG1 )) (( segid "ENHF" and resid 32 and name HA )) 2.800 0.800 0.800 peak 587 spectrum 1 weight 0.10000E+01 volume 0.26515E-02 ppm1 2.365 ppm2 4.034 CV 1 OR { 587} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 43 and name HA )) OR { 587} (( segid "ENHF" and resid 29 and name HG2 )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 592} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 2 and name HB1 )) 5.200 2.700 0.800 peak 592 spectrum 1 weight 0.10000E+01 volume 0.47615E-04 ppm1 2.231 ppm2 1.448 CV 1 OR { 592} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 2 and name HB1 )) OR { 592} (( segid "ENHF" and resid 3 and name HG1 )) (( segid "ENHF" and resid 36 and name HB1 )) OR { 592} (( segid "ENHF" and resid 3 and name HG2 )) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 595} (( segid "ENHF" and resid 24 and name HG1 )) ( segid "ENHF" and resid 45 and name HE% ) 5.600 3.200 0.400 peak 595 spectrum 1 weight 0.10000E+01 volume 0.41459E-04 ppm1 2.216 ppm2 7.181 CV 1 OR { 595} (( segid "ENHF" and resid 24 and name HG2 )) (( segid "ENHF" and resid 28 and name HD2 )) OR { 595} (( segid "ENHF" and resid 24 and name HG2 )) ( segid "ENHF" and resid 45 and name HE% ) ASSI { 608} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 49 and name HG2 )) 2.400 0.600 0.600 peak 608 spectrum 1 weight 0.10000E+01 volume 0.86310E-02 ppm1 2.398 ppm2 2.222 CV 1 OR { 608} (( segid "ENHF" and resid 43 and name HG2 )) (( segid "ENHF" and resid 43 and name HB2 )) OR { 608} (( segid "ENHF" and resid 50 and name HG1 )) (( segid "ENHF" and resid 49 and name HG1 )) OR { 608} (( segid "ENHF" and resid 50 and name HG2 )) (( segid "ENHF" and resid 49 and name HG1 )) ASSI { 609} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HG1 )) 2.400 0.600 0.600 peak 609 spectrum 1 weight 0.10000E+01 volume 0.68531E-02 ppm1 1.905 ppm2 1.574 CV 1 OR { 609} (( segid "ENHF" and resid 17 and name HB2 )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 609} (( segid "ENHF" and resid 17 and name HB1 )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 609} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HG1 )) OR { 609} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HD2 )) OR { 609} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HD2 )) ASSI { 610} (( segid "ENHF" and resid 17 and name HB2 )) (( segid "ENHF" and resid 17 and name HG2 )) 2.500 0.600 0.600 peak 610 spectrum 1 weight 0.10000E+01 volume 0.41787E-02 ppm1 1.904 ppm2 1.443 CV 1 OR { 610} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 11 and name HG2 )) OR { 610} (( segid "ENHF" and resid 17 and name HB1 )) (( segid "ENHF" and resid 17 and name HG2 )) OR { 610} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 11 and name HG2 )) ASSI { 613} (( segid "ENHF" and resid 17 and name HB2 )) ( segid "ENHF" and resid 16 and name HG1%) 6.000 3.700 0.000 peak 613 spectrum 1 weight 0.10000E+01 volume 0.30465E-04 ppm1 1.900 ppm2 0.932 CV 1 OR { 613} (( segid "ENHF" and resid 17 and name HB1 )) ( segid "ENHF" and resid 16 and name HG1%) OR { 613} (( segid "ENHF" and resid 11 and name HB1 )) ( segid "ENHF" and resid 8 and name HG2%) ASSI { 615} (( segid "ENHF" and resid 11 and name HB1 )) ( segid "ENHF" and resid 34 and name HD2%) 5.500 3.000 0.500 peak 615 spectrum 1 weight 0.10000E+01 volume 0.57669E-04 ppm1 1.933 ppm2 0.549 CV 1 OR { 615} (( segid "ENHF" and resid 11 and name HB2 )) ( segid "ENHF" and resid 34 and name HD2%) OR { 615} (( segid "ENHF" and resid 11 and name HB1 )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 616} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 10 and name HG1 )) 6.000 3.600 0.000 peak 616 spectrum 1 weight 0.10000E+01 volume 0.34715E-04 ppm1 1.934 ppm2 2.396 CV 1 OR { 616} (( segid "ENHF" and resid 11 and name HB2 )) (( segid "ENHF" and resid 10 and name HG2 )) OR { 616} (( segid "ENHF" and resid 13 and name HB1 )) (( segid "ENHF" and resid 10 and name HG1 )) OR { 616} (( segid "ENHF" and resid 11 and name HB1 )) (( segid "ENHF" and resid 10 and name HG2 )) ASSI { 618} (( segid "ENHF" and resid 16 and name HB )) (( segid "ENHF" and resid 17 and name HA )) 6.000 4.000 0.000 peak 618 spectrum 1 weight 0.10000E+01 volume 0.25763E-04 ppm1 2.134 ppm2 3.986 CV 1 OR { 618} (( segid "ENHF" and resid 16 and name HB )) (( segid "ENHF" and resid 14 and name HA )) OR { 618} (( segid "ENHF" and resid 16 and name HB )) (( segid "ENHF" and resid 12 and name HA )) ASSI { 631} (( segid "ENHF" and resid 26 and name HB1 )) ( segid "ENHF" and resid 22 and name HG2%) 6.000 4.400 0.000 peak 631 spectrum 1 weight 0.10000E+01 volume 0.34853E-04 ppm1 2.312 ppm2 0.837 CV 1 OR { 631} (( segid "ENHF" and resid 26 and name HB1 )) ( segid "ENHF" and resid 27 and name HD1%) ASSI { 636} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 10 and name HA )) 4.000 1.600 1.600 peak 636 spectrum 1 weight 0.10000E+01 volume 0.37763E-03 ppm1 1.721 ppm2 4.007 CV 1 OR { 636} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 10 and name HA )) OR { 636} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 14 and name HA )) OR { 636} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 638} (( segid "ENHF" and resid 33 and name HB1 )) (( segid "ENHF" and resid 33 and name HA )) 2.400 0.600 0.600 peak 638 spectrum 1 weight 0.10000E+01 volume 0.53813E-02 ppm1 1.830 ppm2 3.987 CV 1 OR { 638} (( segid "ENHF" and resid 33 and name HB2 )) (( segid "ENHF" and resid 33 and name HA )) OR { 638} (( segid "ENHF" and resid 33 and name HB1 )) (( segid "ENHF" and resid 30 and name HA )) ASSI { 640} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 14 and name HG1 )) 4.000 1.600 1.600 peak 640 spectrum 1 weight 0.10000E+01 volume 0.39290E-03 ppm1 1.715 ppm2 2.299 CV 1 OR { 640} (( segid "ENHF" and resid 13 and name HD2 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 640} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 640} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 640} (( segid "ENHF" and resid 41 and name HG12)) (( segid "ENHF" and resid 43 and name HB1 )) OR { 640} (( segid "ENHF" and resid 13 and name HD1 )) (( segid "ENHF" and resid 9 and name HG2 )) ASSI { 643} (( segid "ENHF" and resid 46 and name HB2 )) (( segid "ENHF" and resid 46 and name HA )) 2.400 0.600 0.600 peak 643 spectrum 1 weight 0.10000E+01 volume 0.64700E-02 ppm1 2.103 ppm2 4.080 CV 1 OR { 643} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 11 and name HA )) OR { 643} (( segid "ENHF" and resid 39 and name HB1 )) (( segid "ENHF" and resid 39 and name HA )) OR { 643} (( segid "ENHF" and resid 25 and name HB1 )) (( segid "ENHF" and resid 25 and name HA )) ASSI { 644} (( segid "ENHF" and resid 29 and name HB2 )) (( segid "ENHF" and resid 29 and name HA )) 2.500 0.600 0.600 peak 644 spectrum 1 weight 0.10000E+01 volume 0.47665E-02 ppm1 2.097 ppm2 4.027 CV 1 OR { 644} (( segid "ENHF" and resid 29 and name HB2 )) (( segid "ENHF" and resid 26 and name HA )) ASSI { 646} (( segid "ENHF" and resid 10 and name HB1 )) (( segid "ENHF" and resid 10 and name HG1 )) 1.900 0.400 0.400 peak 646 spectrum 1 weight 0.10000E+01 volume 0.23590E-01 ppm1 2.115 ppm2 2.359 CV 1 OR { 646} (( segid "ENHF" and resid 14 and name HB1 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 646} (( segid "ENHF" and resid 14 and name HB2 )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 646} (( segid "ENHF" and resid 46 and name HB2 )) (( segid "ENHF" and resid 46 and name HG2 )) OR { 646} (( segid "ENHF" and resid 20 and name HB1 )) (( segid "ENHF" and resid 20 and name HG1 )) OR { 646} (( segid "ENHF" and resid 10 and name HB2 )) (( segid "ENHF" and resid 10 and name HG2 )) OR { 646} (( segid "ENHF" and resid 50 and name HB1 )) (( segid "ENHF" and resid 50 and name HG2 )) OR { 646} (( segid "ENHF" and resid 20 and name HB1 )) (( segid "ENHF" and resid 20 and name HG2 )) OR { 646} (( segid "ENHF" and resid 50 and name HB1 )) (( segid "ENHF" and resid 50 and name HG1 )) OR { 646} (( segid "ENHF" and resid 10 and name HB2 )) (( segid "ENHF" and resid 10 and name HG1 )) OR { 646} (( segid "ENHF" and resid 10 and name HB1 )) (( segid "ENHF" and resid 10 and name HG2 )) ASSI { 654} (( segid "ENHF" and resid 29 and name HB1 )) (( segid "ENHF" and resid 29 and name HG2 )) 2.500 0.600 0.600 peak 654 spectrum 1 weight 0.10000E+01 volume 0.61979E-02 ppm1 2.213 ppm2 2.395 CV 1 OR { 654} (( segid "ENHF" and resid 43 and name HB2 )) (( segid "ENHF" and resid 43 and name HG2 )) ASSI { 659} (( segid "ENHF" and resid 42 and name HG2 )) (( segid "ENHF" and resid 46 and name HG2 )) 4.900 2.400 1.100 peak 659 spectrum 1 weight 0.10000E+01 volume 0.12742E-03 ppm1 1.605 ppm2 2.336 CV 1 OR { 659} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 14 and name HG2 )) OR { 659} (( segid "ENHF" and resid 18 and name HG1 )) (( segid "ENHF" and resid 14 and name HG1 )) ASSI { 663} (( segid "ENHF" and resid 34 and name HG )) ( segid "ENHF" and resid 8 and name HG1%) 4.400 1.900 1.600 peak 663 spectrum 1 weight 0.10000E+01 volume 0.40324E-03 ppm1 1.263 ppm2 0.639 CV 1 OR { 663} (( segid "ENHF" and resid 12 and name HG )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 670} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 17 and name HA )) 4.000 1.600 1.600 peak 670 spectrum 1 weight 0.10000E+01 volume 0.36349E-03 ppm1 1.568 ppm2 4.015 CV 1 OR { 670} (( segid "ENHF" and resid 17 and name HG1 )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 698} ( segid "ENHF" and resid 27 and name HD2%) ( segid "ENHF" and resid 31 and name HB% ) 5.700 3.300 0.300 peak 698 spectrum 1 weight 0.10000E+01 volume 0.34050E-04 ppm1 0.862 ppm2 1.275 CV 1 OR { 698} ( segid "ENHF" and resid 27 and name HD2%) (( segid "ENHF" and resid 12 and name HG )) ASSI { 716} ( segid "ENHF" and resid 16 and name HG2%) (( segid "ENHF" and resid 12 and name HA )) 5.500 3.000 0.500 peak 716 spectrum 1 weight 0.10000E+01 volume 0.52692E-04 ppm1 1.052 ppm2 4.000 CV 1 OR { 716} ( segid "ENHF" and resid 16 and name HG2%) (( segid "ENHF" and resid 17 and name HA )) ASSI { 720} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 8 and name HA )) 5.900 3.500 0.100 peak 720 spectrum 1 weight 0.10000E+01 volume 0.18391E-04 ppm1 0.550 ppm2 3.535 CV 1 OR { 720} ( segid "ENHF" and resid 34 and name HD2%) (( segid "ENHF" and resid 31 and name HA )) ASSI { 738} (( segid "ENHF" and resid 8 and name HA )) ( segid "ENHF" and resid 34 and name HD2%) 6.000 3.900 0.000 peak 738 spectrum 1 weight 0.10000E+01 volume 0.57682E-04 ppm1 3.523 ppm2 0.534 CV 1 OR { 738} (( segid "ENHF" and resid 8 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 743} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 34 and name HB2 )) 6.000 5.200 0.000 peak 743 spectrum 1 weight 0.10000E+01 volume 0.22980E-04 ppm1 3.513 ppm2 1.370 CV 1 OR { 743} (( segid "ENHF" and resid 8 and name HA )) (( segid "ENHF" and resid 12 and name HB1 )) ASSI { 753} (( segid "ENHF" and resid 16 and name HA )) (( segid "ENHF" and resid 17 and name HA )) 5.900 3.500 0.100 peak 753 spectrum 1 weight 0.10000E+01 volume 0.35367E-04 ppm1 3.573 ppm2 4.004 CV 1 OR { 753} (( segid "ENHF" and resid 16 and name HA )) (( segid "ENHF" and resid 12 and name HA )) ASSI { 760} (( segid "ENHF" and resid 41 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) 5.900 3.400 0.100 peak 760 spectrum 1 weight 0.10000E+01 volume 0.42688E-04 ppm1 3.468 ppm2 1.274 CV 1 OR { 760} (( segid "ENHF" and resid 41 and name HA )) (( segid "ENHF" and resid 36 and name HB2 )) ASSI { 764} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 8 and name HB )) 5.000 2.500 1.000 peak 764 spectrum 1 weight 0.10000E+01 volume 0.11367E-03 ppm1 3.638 ppm2 2.135 CV 1 OR { 764} (( segid "ENHF" and resid 9 and name HA )) (( segid "ENHF" and resid 10 and name HB1 )) ASSI { 772} (( segid "ENHF" and resid 31 and name HA )) (( segid "ENHF" and resid 34 and name HB2 )) 3.600 1.300 1.300 peak 772 spectrum 1 weight 0.10000E+01 volume 0.64092E-03 ppm1 3.522 ppm2 1.405 CV 1 OR { 772} (( segid "ENHF" and resid 31 and name HA )) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 777} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 8 and name HG1%) 5.200 2.700 0.800 peak 777 spectrum 1 weight 0.10000E+01 volume 0.11753E-03 ppm1 3.524 ppm2 0.619 CV 1 OR { 777} (( segid "ENHF" and resid 31 and name HA )) ( segid "ENHF" and resid 36 and name HD2%) ASSI { 782} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 35 and name HA1 )) 2.700 2.700 3.300 peak 782 spectrum 1 weight 0.10000E+01 volume 0.28852E-02 ppm1 3.931 ppm2 4.040 CV 1 OR { 782} (( segid "ENHF" and resid 5 and name HB2 )) (( segid "ENHF" and resid 34 and name HA )) ASSI { 785} (( segid "ENHF" and resid 5 and name HB1 )) (( segid "ENHF" and resid 35 and name HA1 )) 3.200 3.200 2.800 peak 785 spectrum 1 weight 0.10000E+01 volume 0.19174E-02 ppm1 4.161 ppm2 4.048 CV 1 OR { 785} (( segid "ENHF" and resid 5 and name HB1 )) (( segid "ENHF" and resid 34 and name HA )) ASSI { 793} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 18 and name HB1 )) 3.600 1.300 1.300 peak 793 spectrum 1 weight 0.10000E+01 volume 0.71890E-03 ppm1 4.116 ppm2 1.618 CV 1 OR { 793} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 11 and name HG1 )) OR { 793} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 794} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 18 and name HB2 )) 3.300 1.100 1.100 peak 794 spectrum 1 weight 0.10000E+01 volume 0.96836E-03 ppm1 4.113 ppm2 1.522 CV 1 OR { 794} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 18 and name HG2 )) OR { 794} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 11 and name HG2 )) OR { 794} (( segid "ENHF" and resid 15 and name HA )) (( segid "ENHF" and resid 17 and name HG1 )) ASSI { 856} (( segid "ENHF" and resid 24 and name HA )) ( segid "ENHF" and resid 27 and name HD2%) 3.700 1.400 1.400 peak 856 spectrum 1 weight 0.10000E+01 volume 0.71238E-03 ppm1 3.837 ppm2 0.860 CV 1 OR { 856} (( segid "ENHF" and resid 24 and name HA )) ( segid "ENHF" and resid 22 and name HG2%) ASSI { 860} (( segid "ENHF" and resid 28 and name HA )) (( segid "ENHF" and resid 41 and name HG11)) 3.900 1.500 1.500 peak 860 spectrum 1 weight 0.10000E+01 volume 0.65772E-03 ppm1 4.122 ppm2 1.790 CV 1 OR { 860} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 41 and name HB )) OR { 860} (( segid "ENHF" and resid 28 and name HA )) (( segid "ENHF" and resid 41 and name HB )) OR { 860} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 42 and name HG1 )) ASSI { 861} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 45 and name HB1 )) 3.500 1.200 1.200 peak 861 spectrum 1 weight 0.10000E+01 volume 0.81086E-03 ppm1 4.117 ppm2 3.251 CV 1 OR { 861} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 45 and name HB2 )) OR { 861} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 42 and name HD2 )) ASSI { 865} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 39 and name HB2 )) 2.000 0.400 0.400 peak 865 spectrum 1 weight 0.10000E+01 volume 0.15029E-01 ppm1 4.078 ppm2 1.943 CV 1 OR { 865} (( segid "ENHF" and resid 11 and name HA )) (( segid "ENHF" and resid 11 and name HB2 )) OR { 865} (( segid "ENHF" and resid 11 and name HA )) (( segid "ENHF" and resid 11 and name HB1 )) ASSI { 866} (( segid "ENHF" and resid 43 and name HA )) (( segid "ENHF" and resid 43 and name HG1 )) 2.400 0.600 0.600 peak 866 spectrum 1 weight 0.10000E+01 volume 0.54122E-02 ppm1 4.076 ppm2 2.546 CV 1 OR { 866} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 46 and name HG1 )) ASSI { 867} (( segid "ENHF" and resid 43 and name HA )) (( segid "ENHF" and resid 43 and name HB2 )) 1.900 0.400 0.400 peak 867 spectrum 1 weight 0.10000E+01 volume 0.25794E-01 ppm1 4.074 ppm2 2.212 CV 1 OR { 867} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 46 and name HB1 )) OR { 867} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 32 and name HG2 )) ASSI { 868} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HG2 )) 2.300 0.500 0.500 peak 868 spectrum 1 weight 0.10000E+01 volume 0.89604E-02 ppm1 4.068 ppm2 2.350 CV 1 OR { 868} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 32 and name HG1 )) OR { 868} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 39 and name HG1 )) OR { 868} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 868} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 46 and name HG2 )) OR { 868} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 39 and name HG2 )) ASSI { 869} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HB1 )) 2.000 0.400 0.400 peak 869 spectrum 1 weight 0.10000E+01 volume 0.18484E-01 ppm1 4.072 ppm2 2.116 CV 1 OR { 869} (( segid "ENHF" and resid 46 and name HA )) (( segid "ENHF" and resid 46 and name HB2 )) OR { 869} (( segid "ENHF" and resid 39 and name HA )) (( segid "ENHF" and resid 39 and name HB1 )) OR { 869} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HB2 )) ASSI { 870} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HG2 )) 2.000 0.400 0.400 peak 870 spectrum 1 weight 0.10000E+01 volume 0.21491E-01 ppm1 4.032 ppm2 2.337 CV 1 OR { 870} (( segid "ENHF" and resid 26 and name HA )) (( segid "ENHF" and resid 26 and name HB1 )) OR { 870} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 32 and name HG1 )) OR { 870} (( segid "ENHF" and resid 26 and name HA )) (( segid "ENHF" and resid 26 and name HG2 )) OR { 870} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HG1 )) OR { 870} (( segid "ENHF" and resid 29 and name HA )) (( segid "ENHF" and resid 29 and name HG2 )) OR { 870} (( segid "ENHF" and resid 26 and name HA )) (( segid "ENHF" and resid 26 and name HG1 )) ASSI { 871} (( segid "ENHF" and resid 10 and name HA )) (( segid "ENHF" and resid 10 and name HB2 )) 1.900 0.400 0.400 peak 871 spectrum 1 weight 0.10000E+01 volume 0.25540E-01 ppm1 4.024 ppm2 2.115 CV 1 OR { 871} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 14 and name HB1 )) OR { 871} (( segid "ENHF" and resid 29 and name HA )) (( segid "ENHF" and resid 29 and name HB2 )) OR { 871} (( segid "ENHF" and resid 10 and name HA )) (( segid "ENHF" and resid 10 and name HB1 )) ASSI { 872} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 17 and name HD1 )) 2.200 0.500 0.500 peak 872 spectrum 1 weight 0.10000E+01 volume 0.97681E-02 ppm1 4.016 ppm2 1.695 CV 1 OR { 872} (( segid "ENHF" and resid 33 and name HA )) (( segid "ENHF" and resid 33 and name HG1 )) OR { 872} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 17 and name HD2 )) ASSI { 874} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 36 and name HB2 )) 3.000 0.900 0.900 peak 874 spectrum 1 weight 0.10000E+01 volume 0.18388E-02 ppm1 4.031 ppm2 1.272 CV 1 OR { 874} (( segid "ENHF" and resid 32 and name HA )) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 876} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 32 and name HB2 )) 1.900 0.400 0.400 peak 876 spectrum 1 weight 0.10000E+01 volume 0.27244E-01 ppm1 4.030 ppm2 2.009 CV 1 OR { 876} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 32 and name HB1 )) OR { 876} (( segid "ENHF" and resid 43 and name HA )) (( segid "ENHF" and resid 47 and name HB1 )) ASSI { 877} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 16 and name HA )) 4.300 1.800 1.700 peak 877 spectrum 1 weight 0.10000E+01 volume 0.24816E-03 ppm1 4.017 ppm2 3.558 CV 1 OR { 877} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 31 and name HA )) OR { 877} (( segid "ENHF" and resid 29 and name HA )) (( segid "ENHF" and resid 31 and name HA )) ASSI { 878} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 17 and name HB1 )) 1.900 0.300 0.300 peak 878 spectrum 1 weight 0.10000E+01 volume 0.30447E-01 ppm1 4.014 ppm2 1.906 CV 1 OR { 878} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 17 and name HB2 )) OR { 878} (( segid "ENHF" and resid 26 and name HA )) (( segid "ENHF" and resid 26 and name HB2 )) ASSI { 879} (( segid "ENHF" and resid 17 and name HA )) (( segid "ENHF" and resid 17 and name HG2 )) 2.900 0.900 0.900 peak 879 spectrum 1 weight 0.10000E+01 volume 0.32422E-02 ppm1 4.007 ppm2 1.434 CV 1 OR { 879} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 17 and name HG2 )) OR { 879} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 36 and name HG )) OR { 879} (( segid "ENHF" and resid 32 and name HA )) (( segid "ENHF" and resid 36 and name HB1 )) ASSI { 880} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 18 and name HB1 )) 2.400 0.600 0.600 peak 880 spectrum 1 weight 0.10000E+01 volume 0.61209E-02 ppm1 3.995 ppm2 1.571 CV 1 OR { 880} (( segid "ENHF" and resid 33 and name HA )) (( segid "ENHF" and resid 33 and name HG2 )) OR { 880} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 18 and name HG1 )) OR { 880} (( segid "ENHF" and resid 14 and name HA )) (( segid "ENHF" and resid 18 and name HB2 )) ASSI { 884} (( segid "ENHF" and resid 32 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) 3.200 1.000 1.000 peak 884 spectrum 1 weight 0.10000E+01 volume 0.18737E-02 ppm1 4.029 ppm2 0.516 CV 1 OR { 884} (( segid "ENHF" and resid 33 and name HA )) ( segid "ENHF" and resid 34 and name HD2%) OR { 884} (( segid "ENHF" and resid 32 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) OR { 884} (( segid "ENHF" and resid 29 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) ASSI { 893} (( segid "ENHF" and resid 12 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) 4.800 2.300 1.200 peak 893 spectrum 1 weight 0.10000E+01 volume 0.18286E-03 ppm1 4.005 ppm2 0.560 CV 1 OR { 893} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 41 and name HD1%) OR { 893} (( segid "ENHF" and resid 27 and name HA )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 897} (( segid "ENHF" and resid 47 and name HA )) (( segid "ENHF" and resid 47 and name HB2 )) 2.400 0.600 0.600 peak 897 spectrum 1 weight 0.10000E+01 volume 0.74088E-02 ppm1 4.051 ppm2 1.879 CV 1 OR { 897} (( segid "ENHF" and resid 27 and name HA )) (( segid "ENHF" and resid 27 and name HB1 )) ASSI { 907} (( segid "ENHF" and resid 5 and name HA )) (( segid "ENHF" and resid 35 and name HA1 )) 4.200 1.700 1.700 peak 907 spectrum 1 weight 0.10000E+01 volume 0.31391E-03 ppm1 4.405 ppm2 4.047 CV 1 OR { 907} (( segid "ENHF" and resid 5 and name HA )) (( segid "ENHF" and resid 34 and name HA )) ASSI { 922} (( segid "ENHF" and resid 18 and name HA )) (( segid "ENHF" and resid 18 and name HB2 )) 2.300 0.500 0.500 peak 922 spectrum 1 weight 0.10000E+01 volume 0.85349E-02 ppm1 4.120 ppm2 1.517 CV 1 OR { 922} (( segid "ENHF" and resid 2 and name HA )) (( segid "ENHF" and resid 2 and name HB1 )) OR { 922} (( segid "ENHF" and resid 18 and name HA )) (( segid "ENHF" and resid 18 and name HG2 )) ASSI { 932} (( segid "ENHF" and resid 3 and name HA )) (( segid "ENHF" and resid 3 and name HB1 )) 2.200 0.500 0.500 peak 932 spectrum 1 weight 0.10000E+01 volume 0.94209E-02 ppm1 4.208 ppm2 2.101 CV 1 OR { 932} (( segid "ENHF" and resid 50 and name HA )) (( segid "ENHF" and resid 50 and name HB1 )) ASSI { 939} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 15 and name HA )) 2.800 2.800 3.200 peak 939 spectrum 1 weight 0.10000E+01 volume 0.17251E-02 ppm1 4.417 ppm2 4.116 CV 1 OR { 939} (( segid "ENHF" and resid 21 and name HA )) (( segid "ENHF" and resid 18 and name HA )) ASSI { 943} (( segid "ENHF" and resid 19 and name HA )) (( segid "ENHF" and resid 17 and name HA )) 5.300 2.800 0.700 peak 943 spectrum 1 weight 0.10000E+01 volume 0.60967E-04 ppm1 4.570 ppm2 4.000 CV 1 OR { 943} (( segid "ENHF" and resid 19 and name HA )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 948} (( segid "ENHF" and resid 40 and name HA )) (( segid "ENHF" and resid 39 and name HB1 )) 5.800 3.400 0.200 peak 948 spectrum 1 weight 0.10000E+01 volume 0.36470E-04 ppm1 4.238 ppm2 2.084 CV 1 OR { 948} (( segid "ENHF" and resid 40 and name HA )) (( segid "ENHF" and resid 3 and name HB1 )) ASSI { 950} (( segid "ENHF" and resid 40 and name HA )) ( segid "ENHF" and resid 36 and name HD2%) 6.000 3.600 0.000 peak 950 spectrum 1 weight 0.10000E+01 volume 0.49859E-04 ppm1 4.237 ppm2 0.625 CV 1 OR { 950} (( segid "ENHF" and resid 40 and name HA )) ( segid "ENHF" and resid 41 and name HG2%) ASSI { 953} (( segid "ENHF" and resid 34 and name HA )) ( segid "ENHF" and resid 8 and name HG1%) 5.000 2.500 1.000 peak 953 spectrum 1 weight 0.10000E+01 volume 0.17108E-03 ppm1 4.090 ppm2 0.661 CV 1 OR { 953} (( segid "ENHF" and resid 34 and name HA )) ( segid "ENHF" and resid 36 and name HD2%) ASSI { 966} (( segid "ENHF" and resid 25 and name HA )) (( segid "ENHF" and resid 25 and name HG2 )) 3.100 1.000 1.000 peak 966 spectrum 1 weight 0.10000E+01 volume 0.18920E-02 ppm1 4.096 ppm2 2.252 CV 1 OR { 966} (( segid "ENHF" and resid 25 and name HA )) (( segid "ENHF" and resid 24 and name HG2 )) ASSI { 967} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 43 and name HG2 )) 5.600 3.200 0.400 peak 967 spectrum 1 weight 0.10000E+01 volume 0.33899E-04 ppm1 4.252 ppm2 2.360 CV 1 OR { 967} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 47 and name HG1 )) OR { 967} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 50 and name HG1 )) OR { 967} (( segid "ENHF" and resid 48 and name HA )) (( segid "ENHF" and resid 50 and name HG2 )) ASSI { 970} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HG1 )) 2.400 0.600 0.600 peak 970 spectrum 1 weight 0.10000E+01 volume 0.59311E-02 ppm1 3.107 ppm2 1.583 CV 1 OR { 970} (( segid "ENHF" and resid 51 and name HD1 )) (( segid "ENHF" and resid 51 and name HG2 )) OR { 970} (( segid "ENHF" and resid 33 and name HD1 )) (( segid "ENHF" and resid 33 and name HG2 )) OR { 970} (( segid "ENHF" and resid 33 and name HD2 )) (( segid "ENHF" and resid 33 and name HG2 )) OR { 970} (( segid "ENHF" and resid 51 and name HD2 )) (( segid "ENHF" and resid 51 and name HG2 )) ASSI { 971} (( segid "ENHF" and resid 36 and name HG )) ( segid "ENHF" and resid 36 and name HD2%) 6.000 4.200 0.000 peak 971 spectrum 1 weight 0.10000E+01 volume 0.12537E-04 ppm1 1.458 ppm2 0.618 CV 1 OR { 971} (( segid "ENHF" and resid 36 and name HG )) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 12} (( segid "ENHF" and resid 48 and name HZ )) (( segid "ENHF" and resid 17 and name HD2 )) 5.000 2.500 1.000 peak 12 spectrum 2 weight 0.10000E+01 volume 0.71342E-04 ppm1 7.208 ppm2 1.679 CV 1 OR { 12} (( segid "ENHF" and resid 48 and name HZ )) (( segid "ENHF" and resid 13 and name HG1 )) OR { 12} (( segid "ENHF" and resid 48 and name HZ )) (( segid "ENHF" and resid 17 and name HD1 )) ASSI { 16} (( segid "ENHF" and resid 4 and name HH2 )) (( segid "ENHF" and resid 2 and name HA )) 4.500 2.000 1.500 peak 16 spectrum 2 weight 0.10000E+01 volume 0.12459E-03 ppm1 7.026 ppm2 4.099 CV 1 OR { 16} (( segid "ENHF" and resid 4 and name HH2 )) (( segid "ENHF" and resid 44 and name HA )) OR { 16} (( segid "ENHF" and resid 4 and name HH2 )) (( segid "ENHF" and resid 43 and name HA )) ASSI { 32} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 34 and name HD2%) 5.000 2.500 1.000 peak 32 spectrum 2 weight 0.10000E+01 volume 0.95309E-04 ppm1 6.437 ppm2 0.523 CV 1 OR { 32} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 36} ( segid "ENHF" and resid 30 and name HE% ) (( segid "ENHF" and resid 12 and name HA )) 3.000 0.900 0.900 peak 36 spectrum 2 weight 0.10000E+01 volume 0.20277E-02 ppm1 6.352 ppm2 4.007 CV 1 OR { 36} ( segid "ENHF" and resid 30 and name HE% ) (( segid "ENHF" and resid 30 and name HA )) ASSI { 44} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 9 and name HB2 )) 2.500 0.600 0.600 peak 44 spectrum 2 weight 0.10000E+01 volume 0.53297E-02 ppm1 7.277 ppm2 2.271 CV 1 OR { 44} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 9 and name HG2 )) OR { 44} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 9 and name HG1 )) OR { 44} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 43 and name HB1 )) OR { 44} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 9 and name HB1 )) ASSI { 45} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 3 and name HB1 )) 4.700 2.200 1.300 peak 45 spectrum 2 weight 0.10000E+01 volume 0.16174E-03 ppm1 7.276 ppm2 2.087 CV 1 OR { 45} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 8 and name HB )) ASSI { 46} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 3 and name HA )) 5.400 3.000 0.600 peak 46 spectrum 2 weight 0.10000E+01 volume 0.68363E-04 ppm1 7.267 ppm2 4.187 CV 1 OR { 46} (( segid "ENHF" and resid 4 and name HD1 )) (( segid "ENHF" and resid 6 and name HA )) ASSI { 53} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 31 and name HB% ) 4.900 2.400 1.100 peak 53 spectrum 2 weight 0.10000E+01 volume 0.88318E-04 ppm1 6.448 ppm2 1.289 CV 1 OR { 53} ( segid "ENHF" and resid 30 and name HD% ) (( segid "ENHF" and resid 12 and name HG )) ASSI { 54} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 27 and name HD2%) 5.100 2.600 0.900 peak 54 spectrum 2 weight 0.10000E+01 volume 0.55372E-04 ppm1 6.446 ppm2 0.848 CV 1 OR { 54} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 22 and name HG2%) ASSI { 55} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 22 and name HD1%) 5.000 2.500 1.000 peak 55 spectrum 2 weight 0.10000E+01 volume 0.59355E-04 ppm1 6.446 ppm2 0.671 CV 1 OR { 55} ( segid "ENHF" and resid 30 and name HD% ) ( segid "ENHF" and resid 8 and name HG1%) ASSI { 67} (( segid "ENHF" and resid 19 and name HE1 )) (( segid "ENHF" and resid 18 and name HB2 )) 4.600 2.100 1.400 peak 67 spectrum 2 weight 0.10000E+01 volume 0.76114E-04 ppm1 8.173 ppm2 1.528 CV 1 OR { 67} (( segid "ENHF" and resid 19 and name HE1 )) (( segid "ENHF" and resid 11 and name HG2 )) OR { 67} (( segid "ENHF" and resid 19 and name HE1 )) (( segid "ENHF" and resid 11 and name HD1 )) OR { 67} (( segid "ENHF" and resid 19 and name HE1 )) (( segid "ENHF" and resid 11 and name HD2 )) ASSI { 9} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 5 and name HN )) 5.300 2.800 0.700 peak 9 spectrum 3 weight 0.10000E+01 volume 0.10249E-03 ppm1 8.809 ppm2 8.315 CV 1 OR { 9} (( segid "ENHF" and resid 6 and name HN )) (( segid "ENHF" and resid 9 and name HN )) ASSI { 23} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 25 and name HG1 )) 6.000 4.100 0.000 peak 23 spectrum 3 weight 0.10000E+01 volume 0.41481E-04 ppm1 8.780 ppm2 2.333 CV 1 OR { 23} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 26 and name HB1 )) ASSI { 24} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 24 and name HG2 )) 3.800 1.400 1.400 peak 24 spectrum 3 weight 0.10000E+01 volume 0.77247E-03 ppm1 8.779 ppm2 2.230 CV 1 OR { 24} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 25 and name HG2 )) OR { 24} (( segid "ENHF" and resid 25 and name HN )) (( segid "ENHF" and resid 24 and name HG1 )) ASSI { 41} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 43 and name HN )) 5.700 3.300 0.300 peak 41 spectrum 3 weight 0.10000E+01 volume 0.39579E-04 ppm1 8.493 ppm2 8.051 CV 1 OR { 41} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 48 and name HN )) ASSI { 44} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 5 and name HB1 )) 2.700 0.700 0.700 peak 44 spectrum 3 weight 0.10000E+01 volume 0.30614E-02 ppm1 8.491 ppm2 4.203 CV 1 OR { 44} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 45 and name HA )) ASSI { 45} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 42 and name HA )) 3.100 0.900 0.900 peak 45 spectrum 3 weight 0.10000E+01 volume 0.15820E-02 ppm1 8.492 ppm2 4.045 CV 1 OR { 45} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 44 and name HA )) ASSI { 55} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 6 and name HG2 )) 5.700 3.300 0.300 peak 55 spectrum 3 weight 0.10000E+01 volume 0.48318E-04 ppm1 8.449 ppm2 2.354 CV 1 OR { 55} (( segid "ENHF" and resid 7 and name HN )) (( segid "ENHF" and resid 6 and name HG1 )) OR { 55} (( segid "ENHF" and resid 45 and name HN )) (( segid "ENHF" and resid 46 and name HG2 )) ASSI { 68} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 39 and name HG1 )) 3.200 1.000 1.000 peak 68 spectrum 3 weight 0.10000E+01 volume 0.28681E-02 ppm1 8.422 ppm2 2.323 CV 1 OR { 68} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 39 and name HG2 )) OR { 68} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 38 and name HG1 )) ASSI { 69} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 39 and name HB1 )) 2.100 0.500 0.500 peak 69 spectrum 3 weight 0.10000E+01 volume 0.10118E-01 ppm1 8.423 ppm2 2.086 CV 1 OR { 69} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 38 and name HB2 )) ASSI { 73} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 44 and name HA )) 2.800 0.800 0.800 peak 73 spectrum 3 weight 0.10000E+01 volume 0.24412E-02 ppm1 8.364 ppm2 4.058 CV 1 OR { 73} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 43 and name HA )) ASSI { 89} (( segid "ENHF" and resid 37 and name HN )) ( segid "ENHF" and resid 36 and name HD1%) 5.300 2.800 0.700 peak 89 spectrum 3 weight 0.10000E+01 volume 0.11759E-03 ppm1 8.323 ppm2 0.497 CV 1 OR { 89} (( segid "ENHF" and resid 31 and name HN )) ( segid "ENHF" and resid 41 and name HD1%) OR { 89} (( segid "ENHF" and resid 31 and name HN )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 90} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 30 and name HA )) 3.200 1.000 1.000 peak 90 spectrum 3 weight 0.10000E+01 volume 0.11904E-02 ppm1 8.292 ppm2 4.020 CV 1 OR { 90} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 29 and name HA )) OR { 90} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 27 and name HA )) ASSI { 109} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 30 and name HN )) 2.300 0.500 0.500 peak 109 spectrum 3 weight 0.10000E+01 volume 0.66008E-02 ppm1 8.292 ppm2 7.969 CV 1 OR { 109} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 32 and name HN )) ASSI { 115} (( segid "ENHF" and resid 31 and name HN )) ( segid "ENHF" and resid 31 and name HB% ) 2.300 0.500 0.500 peak 115 spectrum 3 weight 0.10000E+01 volume 0.96852E-02 ppm1 8.292 ppm2 1.265 CV 1 OR { 115} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 36 and name HB2 )) ASSI { 118} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 12 and name HA )) 3.000 0.900 0.900 peak 118 spectrum 3 weight 0.10000E+01 volume 0.19567E-02 ppm1 8.288 ppm2 3.999 CV 1 OR { 118} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 10 and name HA )) ASSI { 128} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 6 and name HA )) 4.500 2.100 1.500 peak 128 spectrum 3 weight 0.10000E+01 volume 0.16566E-03 ppm1 8.268 ppm2 4.168 CV 1 OR { 128} (( segid "ENHF" and resid 9 and name HN )) (( segid "ENHF" and resid 5 and name HB1 )) ASSI { 137} (( segid "ENHF" and resid 9 and name HN )) ( segid "ENHF" and resid 8 and name HG1%) 4.700 2.200 1.300 peak 137 spectrum 3 weight 0.10000E+01 volume 0.18312E-03 ppm1 8.267 ppm2 0.633 CV 1 OR { 137} (( segid "ENHF" and resid 9 and name HN )) ( segid "ENHF" and resid 36 and name HD2%) ASSI { 138} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 14 and name HN )) 5.300 2.900 0.700 peak 138 spectrum 3 weight 0.10000E+01 volume 0.57703E-04 ppm1 8.272 ppm2 7.984 CV 1 OR { 138} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 15 and name HN )) ASSI { 141} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 10 and name HN )) 5.700 3.300 0.300 peak 141 spectrum 3 weight 0.10000E+01 volume 0.36858E-04 ppm1 8.267 ppm2 8.072 CV 1 OR { 141} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 14 and name HN )) ASSI { 142} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HN )) 2.500 0.600 0.600 peak 142 spectrum 3 weight 0.10000E+01 volume 0.39493E-02 ppm1 8.267 ppm2 7.747 CV 1 OR { 142} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 11 and name HN )) ASSI { 143} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 12 and name HA )) 2.900 0.800 0.800 peak 143 spectrum 3 weight 0.10000E+01 volume 0.21444E-02 ppm1 8.267 ppm2 4.002 CV 1 OR { 143} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 27 and name HA )) ASSI { 145} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 11 and name HB1 )) 2.700 0.700 0.700 peak 145 spectrum 3 weight 0.10000E+01 volume 0.30948E-02 ppm1 8.267 ppm2 1.920 CV 1 OR { 145} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HB2 )) OR { 145} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 11 and name HB2 )) ASSI { 146} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 11 and name HG2 )) 6.000 3.700 0.000 peak 146 spectrum 3 weight 0.10000E+01 volume 0.38393E-04 ppm1 8.267 ppm2 1.500 CV 1 OR { 146} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 22 and name HG11)) ASSI { 148} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 22 and name HG12)) 2.600 0.700 0.700 peak 148 spectrum 3 weight 0.10000E+01 volume 0.37621E-02 ppm1 8.267 ppm2 1.251 CV 1 OR { 148} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 12 and name HG )) ASSI { 150} (( segid "ENHF" and resid 27 and name HN )) ( segid "ENHF" and resid 27 and name HD2%) 6.000 4.000 0.000 peak 150 spectrum 3 weight 0.10000E+01 volume 0.40731E-04 ppm1 8.221 ppm2 0.834 CV 1 OR { 150} (( segid "ENHF" and resid 27 and name HN )) ( segid "ENHF" and resid 27 and name HD1%) OR { 150} (( segid "ENHF" and resid 27 and name HN )) ( segid "ENHF" and resid 22 and name HG2%) ASSI { 154} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 27 and name HA )) 2.700 0.700 0.700 peak 154 spectrum 3 weight 0.10000E+01 volume 0.29680E-02 ppm1 8.218 ppm2 4.006 CV 1 OR { 154} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 26 and name HA )) ASSI { 161} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 21 and name HN )) 3.200 3.200 2.800 peak 161 spectrum 3 weight 0.10000E+01 volume 0.16922E-02 ppm1 8.216 ppm2 8.406 CV 1 OR { 161} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 20 and name HN )) ASSI { 165} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 14 and name HA )) 5.100 2.600 0.900 peak 165 spectrum 3 weight 0.10000E+01 volume 0.91488E-04 ppm1 8.215 ppm2 4.004 CV 1 OR { 165} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 12 and name HA )) OR { 165} (( segid "ENHF" and resid 16 and name HN )) (( segid "ENHF" and resid 17 and name HA )) ASSI { 172} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 47 and name HB1 )) 6.000 3.600 0.000 peak 172 spectrum 3 weight 0.10000E+01 volume 0.35061E-04 ppm1 8.177 ppm2 1.967 CV 1 OR { 172} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 42 and name HB1 )) OR { 172} (( segid "ENHF" and resid 46 and name HN )) (( segid "ENHF" and resid 47 and name HB2 )) ASSI { 185} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 7 and name HN )) 5.000 2.500 1.000 peak 185 spectrum 3 weight 0.10000E+01 volume 0.75792E-04 ppm1 8.145 ppm2 8.456 CV 1 OR { 185} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 28 and name HE1 )) ASSI { 187} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 29 and name HA )) 2.500 0.600 0.600 peak 187 spectrum 3 weight 0.10000E+01 volume 0.47926E-02 ppm1 8.143 ppm2 4.019 CV 1 OR { 187} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 26 and name HA )) ASSI { 193} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 9 and name HN )) 2.500 0.600 0.600 peak 193 spectrum 3 weight 0.10000E+01 volume 0.54263E-02 ppm1 8.113 ppm2 8.263 CV 1 OR { 193} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 12 and name HN )) OR { 193} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 31 and name HN )) ASSI { 196} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 29 and name HA )) 2.500 0.600 0.600 peak 196 spectrum 3 weight 0.10000E+01 volume 0.44794E-02 ppm1 8.113 ppm2 4.002 CV 1 OR { 196} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HA )) ASSI { 198} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 29 and name HG2 )) 2.900 0.800 0.800 peak 198 spectrum 3 weight 0.10000E+01 volume 0.32463E-02 ppm1 8.111 ppm2 2.383 CV 1 OR { 198} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HG1 )) OR { 198} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HG2 )) ASSI { 200} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HB1 )) 2.100 0.400 0.400 peak 200 spectrum 3 weight 0.10000E+01 volume 0.13429E-01 ppm1 8.112 ppm2 2.113 CV 1 OR { 200} (( segid "ENHF" and resid 29 and name HN )) (( segid "ENHF" and resid 29 and name HB2 )) OR { 200} (( segid "ENHF" and resid 10 and name HN )) (( segid "ENHF" and resid 10 and name HB2 )) ASSI { 207} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 43 and name HG2 )) 4.200 1.800 1.800 peak 207 spectrum 3 weight 0.10000E+01 volume 0.52264E-03 ppm1 8.098 ppm2 2.397 CV 1 OR { 207} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 38 and name HG2 )) ASSI { 208} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 40 and name HA )) 3.300 1.100 1.100 peak 208 spectrum 3 weight 0.10000E+01 volume 0.10315E-02 ppm1 8.096 ppm2 4.232 CV 1 OR { 208} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 40 and name HA )) ASSI { 215} (( segid "ENHF" and resid 41 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 3.000 0.900 0.900 peak 215 spectrum 3 weight 0.10000E+01 volume 0.16646E-02 ppm1 8.084 ppm2 1.557 CV 1 OR { 215} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 42 and name HG2 )) ASSI { 224} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 42 and name HG2 )) 6.000 3.600 0.000 peak 224 spectrum 3 weight 0.10000E+01 volume 0.39231E-04 ppm1 8.069 ppm2 1.584 CV 1 OR { 224} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 51 and name HG1 )) OR { 224} (( segid "ENHF" and resid 42 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) ASSI { 225} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 44 and name HN )) 5.600 3.100 0.400 peak 225 spectrum 3 weight 0.10000E+01 volume 0.46521E-04 ppm1 8.064 ppm2 8.387 CV 1 OR { 225} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 39 and name HN )) ASSI { 234} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 5 and name HN )) 4.600 2.200 1.400 peak 234 spectrum 3 weight 0.10000E+01 volume 0.15457E-03 ppm1 8.035 ppm2 8.275 CV 1 OR { 234} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 37 and name HN )) ASSI { 235} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 37 and name HD21)) 4.400 2.000 1.600 peak 235 spectrum 3 weight 0.10000E+01 volume 0.28281E-03 ppm1 8.033 ppm2 7.718 CV 1 OR { 235} (( segid "ENHF" and resid 3 and name HN )) (( segid "ENHF" and resid 43 and name HE21)) ASSI { 243} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 47 and name HA )) 2.900 0.800 0.800 peak 243 spectrum 3 weight 0.10000E+01 volume 0.22247E-02 ppm1 8.038 ppm2 4.067 CV 1 OR { 243} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 39 and name HA )) ASSI { 248} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 38 and name HB1 )) 5.600 3.200 0.400 peak 248 spectrum 3 weight 0.10000E+01 volume 0.46958E-04 ppm1 8.036 ppm2 2.103 CV 1 OR { 248} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 47 and name HG2 )) OR { 248} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 46 and name HB2 )) OR { 248} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 46 and name HB2 )) ASSI { 249} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 48 and name HB1 )) 2.700 0.700 0.700 peak 249 spectrum 3 weight 0.10000E+01 volume 0.25871E-02 ppm1 8.032 ppm2 2.883 CV 1 OR { 249} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 48 and name HB1 )) ASSI { 250} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 48 and name HB2 )) 2.900 0.900 0.900 peak 250 spectrum 3 weight 0.10000E+01 volume 0.19963E-02 ppm1 8.035 ppm2 2.620 CV 1 OR { 250} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 48 and name HB2 )) ASSI { 252} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 17 and name HN )) 3.200 3.200 2.800 peak 252 spectrum 3 weight 0.10000E+01 volume 0.11819E-02 ppm1 8.028 ppm2 7.736 CV 1 OR { 252} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 11 and name HN )) ASSI { 256} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 13 and name HG1 )) 6.000 3.700 0.000 peak 256 spectrum 3 weight 0.10000E+01 volume 0.39004E-04 ppm1 8.025 ppm2 1.735 CV 1 OR { 256} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 51 and name HB2 )) OR { 256} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 13 and name HD1 )) ASSI { 259} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 14 and name HA )) 2.100 0.400 0.400 peak 259 spectrum 3 weight 0.10000E+01 volume 0.14074E-01 ppm1 8.022 ppm2 4.038 CV 1 OR { 259} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 49 and name HA )) OR { 259} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 11 and name HA )) ASSI { 263} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 13 and name HB1 )) 2.000 0.400 0.400 peak 263 spectrum 3 weight 0.10000E+01 volume 0.16243E-01 ppm1 8.020 ppm2 1.954 CV 1 OR { 263} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 49 and name HB2 )) OR { 263} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 49 and name HB1 )) ASSI { 264} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 48 and name HA )) 2.500 2.500 3.500 peak 264 spectrum 3 weight 0.10000E+01 volume 0.52802E-02 ppm1 8.017 ppm2 4.197 CV 1 OR { 264} (( segid "ENHF" and resid 49 and name HN )) (( segid "ENHF" and resid 50 and name HA )) ASSI { 267} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 32 and name HA )) 2.400 0.600 0.600 peak 267 spectrum 3 weight 0.10000E+01 volume 0.62805E-02 ppm1 8.002 ppm2 4.025 CV 1 OR { 267} (( segid "ENHF" and resid 32 and name HN )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 273} (( segid "ENHF" and resid 32 and name HN )) ( segid "ENHF" and resid 41 and name HD1%) 4.900 2.400 1.100 peak 273 spectrum 3 weight 0.10000E+01 volume 0.17658E-03 ppm1 7.999 ppm2 0.516 CV 1 OR { 273} (( segid "ENHF" and resid 32 and name HN )) ( segid "ENHF" and resid 36 and name HD1%) ASSI { 275} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 12 and name HA )) 3.000 0.900 0.900 peak 275 spectrum 3 weight 0.10000E+01 volume 0.14555E-02 ppm1 7.994 ppm2 3.999 CV 1 OR { 275} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 291} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 30 and name HA )) 2.500 0.600 0.600 peak 291 spectrum 3 weight 0.10000E+01 volume 0.50582E-02 ppm1 7.937 ppm2 3.999 CV 1 OR { 291} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 27 and name HA )) OR { 291} (( segid "ENHF" and resid 30 and name HN )) (( segid "ENHF" and resid 29 and name HA )) ASSI { 294} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 21 and name HA )) 2.500 0.600 0.600 peak 294 spectrum 3 weight 0.10000E+01 volume 0.40568E-02 ppm1 7.933 ppm2 4.397 CV 1 OR { 294} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 22 and name HA )) ASSI { 295} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 21 and name HB1 )) 2.900 0.800 0.800 peak 295 spectrum 3 weight 0.10000E+01 volume 0.19242E-02 ppm1 7.934 ppm2 1.852 CV 1 OR { 295} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 22 and name HB )) ASSI { 298} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 52 and name HB2 )) 2.900 0.800 0.800 peak 298 spectrum 3 weight 0.10000E+01 volume 0.37150E-02 ppm1 7.890 ppm2 1.649 CV 1 OR { 298} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 51 and name HB2 )) OR { 298} (( segid "ENHF" and resid 52 and name HN )) (( segid "ENHF" and resid 52 and name HD1 )) ASSI { 301} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 49 and name HN )) 2.300 0.500 0.500 peak 301 spectrum 3 weight 0.10000E+01 volume 0.69400E-02 ppm1 7.839 ppm2 8.006 CV 1 OR { 301} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 51 and name HN )) ASSI { 306} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 50 and name HB2 )) 2.200 0.500 0.500 peak 306 spectrum 3 weight 0.10000E+01 volume 0.92821E-02 ppm1 7.837 ppm2 1.979 CV 1 OR { 306} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 49 and name HB1 )) ASSI { 309} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 33 and name HA )) 2.300 0.500 0.500 peak 309 spectrum 3 weight 0.10000E+01 volume 0.75746E-02 ppm1 7.823 ppm2 3.988 CV 1 OR { 309} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 32 and name HA )) OR { 309} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 30 and name HA )) ASSI { 318} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 48 and name HA )) 4.800 2.300 1.200 peak 318 spectrum 3 weight 0.10000E+01 volume 0.11865E-03 ppm1 7.803 ppm2 4.194 CV 1 OR { 318} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 45 and name HA )) ASSI { 324} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 26 and name HB2 )) 3.200 1.000 1.000 peak 324 spectrum 3 weight 0.10000E+01 volume 0.14298E-02 ppm1 7.759 ppm2 1.903 CV 1 OR { 324} (( segid "ENHF" and resid 26 and name HN )) (( segid "ENHF" and resid 25 and name HB2 )) ASSI { 327} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 10 and name HB1 )) 2.800 0.800 0.800 peak 327 spectrum 3 weight 0.10000E+01 volume 0.24725E-02 ppm1 7.746 ppm2 2.120 CV 1 OR { 327} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 16 and name HB )) OR { 327} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 10 and name HB2 )) ASSI { 328} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 17 and name HG1 )) 3.500 1.200 1.200 peak 328 spectrum 3 weight 0.10000E+01 volume 0.11755E-02 ppm1 7.728 ppm2 1.554 CV 1 OR { 328} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HD2 )) OR { 328} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HD1 )) OR { 328} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 18 and name HB2 )) ASSI { 344} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HG2 )) 3.800 1.400 1.400 peak 344 spectrum 3 weight 0.10000E+01 volume 0.85365E-03 ppm1 7.745 ppm2 1.482 CV 1 OR { 344} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 18 and name HG2 )) OR { 344} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 18 and name HB2 )) ASSI { 346} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 17 and name HG1 )) 3.300 1.100 1.100 peak 346 spectrum 3 weight 0.10000E+01 volume 0.14823E-02 ppm1 7.746 ppm2 1.603 CV 1 OR { 346} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HG1 )) OR { 346} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 347} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 16 and name HN )) 2.500 0.600 0.600 peak 347 spectrum 3 weight 0.10000E+01 volume 0.42852E-02 ppm1 7.723 ppm2 8.225 CV 1 OR { 347} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 12 and name HN )) ASSI { 349} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 8 and name HA )) 3.300 1.100 1.100 peak 349 spectrum 3 weight 0.10000E+01 volume 0.10267E-02 ppm1 7.728 ppm2 3.564 CV 1 OR { 349} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 16 and name HA )) ASSI { 350} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HB2 )) 2.200 0.500 0.500 peak 350 spectrum 3 weight 0.10000E+01 volume 0.97449E-02 ppm1 7.726 ppm2 1.892 CV 1 OR { 350} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 350} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 17 and name HB1 )) ASSI { 351} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 15 and name HN )) 4.100 1.700 1.700 peak 351 spectrum 3 weight 0.10000E+01 volume 0.41024E-03 ppm1 7.729 ppm2 7.996 CV 1 OR { 351} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 14 and name HN )) ASSI { 353} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 17 and name HA )) 2.400 0.600 0.600 peak 353 spectrum 3 weight 0.10000E+01 volume 0.65111E-02 ppm1 7.729 ppm2 3.999 CV 1 OR { 353} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 10 and name HA )) OR { 353} (( segid "ENHF" and resid 17 and name HN )) (( segid "ENHF" and resid 14 and name HA )) ASSI { 354} (( segid "ENHF" and resid 17 and name HN )) ( segid "ENHF" and resid 16 and name HG2%) 4.400 1.900 1.600 peak 354 spectrum 3 weight 0.10000E+01 volume 0.40631E-03 ppm1 7.729 ppm2 1.040 CV 1 OR { 354} (( segid "ENHF" and resid 11 and name HN )) (( segid "ENHF" and resid 12 and name HB2 )) ASSI { 356} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 36 and name HN )) 2.100 0.500 0.500 peak 356 spectrum 3 weight 0.10000E+01 volume 0.96170E-02 ppm1 7.689 ppm2 7.382 CV 1 OR { 356} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 34 and name HN )) ASSI { 357} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 35 and name HA1 )) 2.500 0.600 0.600 peak 357 spectrum 3 weight 0.10000E+01 volume 0.55224E-02 ppm1 7.688 ppm2 4.063 CV 1 OR { 357} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 32 and name HA )) ASSI { 360} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 18 and name HA )) 4.300 1.900 1.700 peak 360 spectrum 3 weight 0.10000E+01 volume 0.21262E-03 ppm1 7.561 ppm2 4.118 CV 1 OR { 360} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 15 and name HA )) ASSI { 365} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 37 and name HD21)) 6.000 4.300 0.000 peak 365 spectrum 3 weight 0.10000E+01 volume 0.28084E-04 ppm1 7.502 ppm2 7.699 CV 1 OR { 365} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 43 and name HE21)) ASSI { 374} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 17 and name HG1 )) 2.400 0.600 0.600 peak 374 spectrum 3 weight 0.10000E+01 volume 0.47278E-02 ppm1 7.439 ppm2 1.602 CV 1 OR { 374} (( segid "ENHF" and resid 18 and name HN )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 379} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 34 and name HA )) 3.000 0.900 0.900 peak 379 spectrum 3 weight 0.10000E+01 volume 0.17202E-02 ppm1 7.403 ppm2 4.074 CV 1 OR { 379} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 32 and name HA )) ASSI { 383} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 34 and name HB1 )) 2.700 0.700 0.700 peak 383 spectrum 3 weight 0.10000E+01 volume 0.62599E-02 ppm1 7.403 ppm2 1.482 CV 1 OR { 383} (( segid "ENHF" and resid 34 and name HN )) (( segid "ENHF" and resid 36 and name HG )) ASSI { 390} (( segid "ENHF" and resid 36 and name HN )) (( segid "ENHF" and resid 36 and name HB2 )) 2.300 0.500 0.500 peak 390 spectrum 3 weight 0.10000E+01 volume 0.67799E-02 ppm1 7.364 ppm2 1.244 CV 1 OR { 390} (( segid "ENHF" and resid 36 and name HN )) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 395} (( segid "ENHF" and resid 2 and name HN )) (( segid "ENHF" and resid 2 and name HA )) 4.100 1.700 1.700 peak 395 spectrum 3 weight 0.10000E+01 volume 0.29220E-03 ppm1 8.693 ppm2 4.062 CV 1 OR { 395} (( segid "ENHF" and resid 2 and name HN )) (( segid "ENHF" and resid 1 and name HA )) ASSI { 398} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 9 and name HG2 )) 3.100 0.900 0.900 peak 398 spectrum 3 weight 0.10000E+01 volume 0.16177E-02 ppm1 10.685 ppm2 2.261 CV 1 OR { 398} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 9 and name HB2 )) OR { 398} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 9 and name HG1 )) OR { 398} (( segid "ENHF" and resid 4 and name HE1 )) (( segid "ENHF" and resid 43 and name HB1 )) ASSI { 430} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 37 and name HB1 )) 5.800 3.300 0.200 peak 430 spectrum 3 weight 0.10000E+01 volume 0.22990E-04 ppm1 8.070 ppm2 3.191 CV 1 OR { 430} (( segid "ENHF" and resid 40 and name HN )) (( segid "ENHF" and resid 42 and name HD2 )) ASSI { 445} (( segid "ENHF" and resid 27 and name HN )) (( segid "ENHF" and resid 25 and name HB1 )) 6.000 4.100 0.000 peak 445 spectrum 3 weight 0.10000E+01 volume 0.31590E-04 ppm1 8.218 ppm2 2.063 CV 1 OR { 445} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 14 and name HB2 )) OR { 445} (( segid "ENHF" and resid 12 and name HN )) (( segid "ENHF" and resid 8 and name HB )) ASSI { 451} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 25 and name HA )) 6.000 5.500 0.000 peak 451 spectrum 3 weight 0.10000E+01 volume 0.15804E-04 ppm1 9.024 ppm2 4.048 CV 1 OR { 451} (( segid "ENHF" and resid 24 and name HN )) (( segid "ENHF" and resid 27 and name HA )) ASSI { 460} (( segid "ENHF" and resid 33 and name HN )) (( segid "ENHF" and resid 34 and name HG )) 6.000 4.400 0.000 peak 460 spectrum 3 weight 0.10000E+01 volume 0.23741E-04 ppm1 7.827 ppm2 1.237 CV 1 OR { 460} (( segid "ENHF" and resid 33 and name HN )) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 463} (( segid "ENHF" and resid 44 and name HN )) ( segid "ENHF" and resid 48 and name HD% ) 6.000 4.100 0.000 peak 463 spectrum 3 weight 0.10000E+01 volume 0.25345E-04 ppm1 8.365 ppm2 7.056 CV 1 OR { 463} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 45 and name HZ )) ASSI { 465} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 40 and name HA )) 6.000 4.400 0.000 peak 465 spectrum 3 weight 0.10000E+01 volume 0.20723E-04 ppm1 8.363 ppm2 4.198 CV 1 OR { 465} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 45 and name HA )) ASSI { 466} (( segid "ENHF" and resid 44 and name HN )) ( segid "ENHF" and resid 40 and name HB% ) 6.000 4.200 0.000 peak 466 spectrum 3 weight 0.10000E+01 volume 0.14896E-04 ppm1 8.371 ppm2 1.563 CV 1 OR { 466} (( segid "ENHF" and resid 44 and name HN )) (( segid "ENHF" and resid 42 and name HG2 )) ASSI { 487} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 19 and name HB1 )) 6.000 4.800 0.000 peak 487 spectrum 3 weight 0.10000E+01 volume 0.21072E-04 ppm1 7.991 ppm2 2.912 CV 1 OR { 487} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 13 and name HE1 )) OR { 487} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 13 and name HE2 )) ASSI { 489} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 13 and name HB1 )) 6.000 4.000 0.000 peak 489 spectrum 3 weight 0.10000E+01 volume 0.30648E-04 ppm1 7.994 ppm2 1.914 CV 1 OR { 489} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 11 and name HB1 )) OR { 489} (( segid "ENHF" and resid 15 and name HN )) (( segid "ENHF" and resid 17 and name HB1 )) ASSI { 494} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 45 and name HN )) 5.900 3.500 0.100 peak 494 spectrum 3 weight 0.10000E+01 volume 0.33265E-04 ppm1 8.067 ppm2 8.508 CV 1 OR { 494} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 45 and name HN )) ASSI { 501} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 43 and name HB2 )) 6.000 3.600 0.000 peak 501 spectrum 3 weight 0.10000E+01 volume 0.00000E+00 ppm1 8.424 ppm2 2.196 CV 1 OR { 501} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 3 and name HG1 )) OR { 501} (( segid "ENHF" and resid 39 and name HN )) (( segid "ENHF" and resid 3 and name HG2 )) ASSI { 505} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 21 and name HG2 )) 6.000 4.100 0.000 peak 505 spectrum 3 weight 0.10000E+01 volume 0.19083E-04 ppm1 8.355 ppm2 1.507 CV 1 OR { 505} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 18 and name HB2 )) OR { 505} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 22 and name HG11)) ASSI { 506} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 19 and name HN )) 6.000 3.800 0.000 peak 506 spectrum 3 weight 0.10000E+01 volume 0.30561E-04 ppm1 8.361 ppm2 7.558 CV 1 OR { 506} (( segid "ENHF" and resid 20 and name HN )) (( segid "ENHF" and resid 20 and name HE21)) ASSI { 508} (( segid "ENHF" and resid 48 and name HN )) (( segid "ENHF" and resid 46 and name HG1 )) 5.800 3.400 0.200 peak 508 spectrum 3 weight 0.10000E+01 volume 0.27369E-04 ppm1 8.040 ppm2 2.493 CV 1 OR { 508} (( segid "ENHF" and resid 42 and name HN )) (( segid "ENHF" and resid 46 and name HG1 )) ASSI { 510} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 28 and name HE1 )) 3.100 3.100 2.900 peak 510 spectrum 3 weight 0.10000E+01 volume 0.21327E-02 ppm1 8.292 ppm2 8.504 CV 1 OR { 510} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 28 and name HE1 )) ASSI { 511} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 32 and name HN )) 3.900 1.500 1.500 peak 511 spectrum 3 weight 0.10000E+01 volume 0.55751E-03 ppm1 8.323 ppm2 8.047 CV 1 OR { 511} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 40 and name HN )) ASSI { 512} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 29 and name HB1 )) 6.000 4.400 0.000 peak 512 spectrum 3 weight 0.10000E+01 volume 0.20496E-04 ppm1 8.289 ppm2 2.183 CV 1 OR { 512} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 32 and name HG2 )) OR { 512} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 43 and name HB2 )) ASSI { 513} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 32 and name HB1 )) 6.000 5.400 0.000 peak 513 spectrum 3 weight 0.10000E+01 volume 0.21107E-04 ppm1 8.291 ppm2 2.017 CV 1 OR { 513} (( segid "ENHF" and resid 31 and name HN )) (( segid "ENHF" and resid 32 and name HB2 )) OR { 513} (( segid "ENHF" and resid 37 and name HN )) (( segid "ENHF" and resid 39 and name HB2 )) ASSI { 515} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 21 and name HG2 )) 5.100 2.600 0.900 peak 515 spectrum 3 weight 0.10000E+01 volume 0.84427E-04 ppm1 7.936 ppm2 1.506 CV 1 OR { 515} (( segid "ENHF" and resid 22 and name HN )) (( segid "ENHF" and resid 22 and name HG11)) ASSI { 520} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 15 and name HB2 )) 6.000 4.700 0.000 peak 520 spectrum 3 weight 0.10000E+01 volume 0.27822E-04 ppm1 8.030 ppm2 3.044 CV 1 OR { 520} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 18 and name HD1 )) OR { 520} (( segid "ENHF" and resid 14 and name HN )) (( segid "ENHF" and resid 18 and name HD2 )) ASSI { 523} (( segid "ENHF" and resid 4 and name HN )) (( segid "ENHF" and resid 2 and name HB2 )) 6.000 3.600 0.000 peak 523 spectrum 3 weight 0.10000E+01 volume 0.19572E-04 ppm1 7.508 ppm2 1.307 CV 1 OR { 523} (( segid "ENHF" and resid 4 and name HN )) ( segid "ENHF" and resid 31 and name HB% ) ASSI { 527} (( segid "ENHF" and resid 50 and name HN )) ( segid "ENHF" and resid 48 and name HE% ) 4.700 2.300 1.300 peak 527 spectrum 3 weight 0.10000E+01 volume 0.10301E-03 ppm1 7.838 ppm2 7.255 CV 1 OR { 527} (( segid "ENHF" and resid 50 and name HN )) (( segid "ENHF" and resid 51 and name HE )) ASSI { 534} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 11 and name HG1 )) 6.000 4.100 0.000 peak 534 spectrum 3 weight 0.10000E+01 volume 0.27560E-04 ppm1 8.289 ppm2 1.603 CV 1 OR { 534} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 534} (( segid "ENHF" and resid 13 and name HN )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 539} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 18 and name HB1 )) 6.000 3.900 0.000 peak 539 spectrum 3 weight 0.10000E+01 volume 0.30247E-04 ppm1 7.554 ppm2 1.598 CV 1 OR { 539} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 17 and name HG1 )) OR { 539} (( segid "ENHF" and resid 19 and name HN )) (( segid "ENHF" and resid 18 and name HG1 )) ASSI { 541} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 42 and name HD1 )) 6.000 3.900 0.000 peak 541 spectrum 3 weight 0.10000E+01 volume 0.24089E-04 ppm1 8.104 ppm2 3.211 CV 1 OR { 541} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 42 and name HD2 )) OR { 541} (( segid "ENHF" and resid 43 and name HN )) (( segid "ENHF" and resid 45 and name HB2 )) OR { 541} (( segid "ENHF" and resid 41 and name HN )) (( segid "ENHF" and resid 42 and name HD2 )) ASSI { 544} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 47 and name HA )) 2.500 0.600 0.600 peak 544 spectrum 3 weight 0.10000E+01 volume 0.53639E-02 ppm1 7.806 ppm2 4.066 CV 1 OR { 544} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 43 and name HA )) OR { 544} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 46 and name HA )) ASSI { 545} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 48 and name HB2 )) 6.000 4.300 0.000 peak 545 spectrum 3 weight 0.10000E+01 volume 0.20583E-04 ppm1 7.808 ppm2 2.598 CV 1 OR { 545} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 43 and name HG1 )) ASSI { 546} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 46 and name HB2 )) 3.300 1.100 1.100 peak 546 spectrum 3 weight 0.10000E+01 volume 0.14401E-02 ppm1 7.805 ppm2 2.093 CV 1 OR { 546} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 47 and name HG2 )) ASSI { 547} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 46 and name HG2 )) 3.300 1.100 1.100 peak 547 spectrum 3 weight 0.10000E+01 volume 0.10280E-02 ppm1 7.805 ppm2 2.326 CV 1 OR { 547} (( segid "ENHF" and resid 47 and name HN )) (( segid "ENHF" and resid 47 and name HG1 )) ASSI { 548} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 24 and name HG2 )) 6.000 3.800 0.000 peak 548 spectrum 3 weight 0.10000E+01 volume 0.27002E-04 ppm1 8.708 ppm2 2.186 CV 1 OR { 548} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 24 and name HG1 )) OR { 548} (( segid "ENHF" and resid 28 and name HN )) (( segid "ENHF" and resid 29 and name HB1 )) ASSI { 570} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 36 and name HB2 )) 6.000 4.500 0.000 peak 570 spectrum 3 weight 0.10000E+01 volume 0.28799E-04 ppm1 7.686 ppm2 1.232 CV 1 OR { 570} (( segid "ENHF" and resid 35 and name HN )) (( segid "ENHF" and resid 34 and name HG ))
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